365629795	ZINC000336547684	ref	5.31	-9.37	0	261.369	2.114	2	1	3	CC1=C[C@@H](C)C[N@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1
365629800	ZINC000336547684	mid	7.59	-49.75	1	261.369	2.114	2	1	3	CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C(=O)N(C)C)[nH]2)C1
365629803	ZINC000336547684	mid	5.31	-9.37	0	261.369	2.114	1	2	3	CC1=C[C@@H](C)CN(Cc2ccc(C(=O)N(C)C)[nH]2)C1
197590399	ZINC000162774565	ref	7.67	-54.97	1	300.406	2.399	1	4	5	Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)[C@H]3CCOC3)cn2)n1
342594194	ZINC000616959504	ref	2.96	-20.81	0	268.263	1.171	2	2	4	O=C(Cc1cccc(C(F)F)c1)N[C@H]1CCNC1=O
230721959	ZINC000450357578	ref	6.33	-17.86	0	318.421	1.243	1	3	5	CN(C)C(=O)NCCN(C)C(=O)[C@@H]1CCN(c2ccccc2)C1
365629808	ZINC000336547439	ref	4.82	-8.78	0	282.29	2.208	2	2	2	C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1
365629811	ZINC000336547568	ref	5.8	-15.38	0	256.346	2.298	0	3	3	Cc1sc(CC(=O)N2CC(F)C2)nc1C(C)C
365629817	ZINC000336547375	ref	5.99	-39.99	1	258.321	2.143	2	2	3	C[N@H+](Cc1cc2ccccc2o1)[C@@H]1CCCNC1=O
365629819	ZINC000336547375	mid	5.89	-41.11	1	258.321	2.143	2	2	3	C[N@@H+](Cc1cc2ccccc2o1)[C@@H]1CCCNC1=O
342594195	ZINC000616955346	ref	4.0	-10.69	0	287.4	1.437	1	4	10	CC[C@@H](C)[C@@H](OC)C(=O)N(CCOCCO)C1CCC1
365629825	ZINC000336547375	mid	3.68	-9.42	0	258.321	2.143	1	3	3	CN(Cc1cc2ccccc2o1)[C@@H]1CCCNC1=O
365629829	ZINC000336547593	ref	5.34	-9.17	0	275.348	2.495	1	3	3	CC(=O)c1cc(C(=O)N[C@@]2(C)CCO[C@@H]2C)ccc1C
365629831	ZINC000336547863	ref	7.61	-13.37	0	269.348	2.109	0	3	2	C[C@@H](C(=O)N1CCc2ccccc2C1)c1cnn(C)c1
365629837	ZINC000336548032	ref	6.28	-11.18	0	270.336	2.28	0	4	2	C[C@H]1CC[C@@H](C)N1C(=O)c1cnn(-c2cccnc2)c1
230721979	ZINC000450358700	ref	6.89	-15.22	0	303.41	1.88	2	6	8	CCC[C@H](CCO)CNc1ccc2nnc([C@H]3C[C@@H]3C)n2n1
365629839	ZINC000336548107	ref	6.35	-9.31	0	288.395	2.255	1	3	3	CC1=C[C@@H](C)CN(C(=O)NCc2cccnc2N(C)C)C1
365629843	ZINC000336548107	low	6.82	-38.84	1	288.395	2.255	1	2	3	CC1=C[C@@H](C)CN(C(=O)NCc2ccc[nH+]c2N(C)C)C1
342594196	ZINC000616955380	ref	5.41	-7.88	0	269.385	1.813	1	3	9	CCC[C@@H]1C[C@H]1C(=O)N(CCOCCO)C1CCC1
342594197	ZINC000616955949	ref	5.4	-9.7	0	295.383	1.224	1	5	9	C[C@@H](CC(=O)N(CCOCCO)C1CCC1)n1ccnc1
365629847	ZINC000336547438	ref	4.88	-8.73	0	282.29	2.208	2	2	2	C[C@H]1CC[C@H](NC(=O)C(=O)Nc2c(F)cccc2F)C1
365639014	ZINC000274370880	high	4.58	-36.83	1	295.402	1.745	2	3	6	C[C@@H](O)C[NH+]1CCC(CN(C)Cc2cncc(F)c2)CC1
365629804	ZINC000641595702	ref	2.27	-12.37	0	296.392	1.582	1	4	5	C[C@@H]1C[C@@H](S(=O)(=O)NC/C=C\c2cccnc2)CCO1
178298899	ZINC000237137101	high	4.79	-9.11	0	366.509	1.963	1	4	7	CN(CCN1CCN(C(=O)[C@@H](N)c2ccccc2)CC1)Cc1ccccc1
230721975	ZINC000425392141	ref	7.13	-12.69	0	308.353	2.266	2	3	7	CCOC(=O)CCCNC(=O)N[C@H]1C[C@@]1(F)c1ccccc1
365629814	ZINC000641595839	ref	2.77	-11.62	0	296.392	1.582	1	4	6	CO[C@@H]1CCC[C@H]1S(=O)(=O)NC/C=C/c1cccnc1
365629821	ZINC000641595577	ref	3.2	-13.02	0	272.345	1.764	1	3	8	O=S(=O)(CCCCF)NC/C=C\c1cccnc1
365629828	ZINC000641595642	ref	2.9	-13.19	0	298.408	1.829	1	4	7	CC(C)(C)OCCS(=O)(=O)NC/C=C/c1cccnc1
230721988	ZINC000425393446	ref	3.84	-12.28	0	315.349	2.176	0	7	4	FC(F)c1noc(CN2CCCN(c3nccs3)CC2)n1
365639015	ZINC000623071593	ref	3.89	-55.39	1	310.423	1.893	2	4	2	[NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Nc3nccs3)CC2)C1
365639019	ZINC000623071154	ref	2.74	-46.83	1	307.35	1.039	2	4	2	[NH3+]C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCCO3)CCCO1
230721997	ZINC000425396061	ref	0.99	-9.1	0	316.333	2.346	0	7	4	Cc1csc([C@@H]2CN(Cc3nc(C(F)F)no3)CCO2)n1
178298902	ZINC000237128710	ref	3.16	-61.43	1	365.499	1.632	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1
178298908	ZINC000237135374	ref	1.68	-59.74	1	357.451	1.371	3	3	6	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1
365639025	ZINC000623071904	ref	5.48	-46.08	1	308.382	1.298	2	4	2	Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)no1
365639034	ZINC000623071698	ref	4.28	-47.6	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3ccccn3)C2)C1
178298911	ZINC000237133349	ref	2.25	-37.97	1	357.451	1.466	2	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1
178298918	ZINC000237125633	ref	5.3	-55.04	1	373.478	1.396	1	3	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]([NH3+])Cc1ccccc1)CC2
178298923	ZINC000237125633	mid	5.02	-19.35	0	373.478	1.396	1	4	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](N)Cc1ccccc1)CC2
365639038	ZINC000623071044	ref	5.82	-57.95	1	301.39	1.227	1	2	0	O=C(N1CCc2ccccc2C1)N1CC[C@H]2OCC[NH2+][C@@H]2C1
230722009	ZINC000425400718	ref	3.96	-12.06	0	324.418	2.228	0	4	7	CN(C)S(=O)(=O)c1ccc(CN(CC(F)F)C2CC2)s1
290622206	ZINC000492517875	ref	6.08	-11.47	0	282.343	2.462	1	3	6	COc1cncc(/C=C/C(=O)NCCc2ccccc2)c1
365629818	ZINC000617408401	ref	4.26	-9.78	0	261.325	0.877	1	4	3	O=C(NC[C@@H]1CCCO1)[C@H]1CCc2ncncc2C1
365629823	ZINC000617410463	ref	4.38	-19.98	0	280.284	0.408	1	6	3	CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@@H](O)C3(CC3)C2)n1
365629835	ZINC000617409261	ref	0.37	-12.38	0	263.359	0.351	1	4	5	C[C@@H](C(=O)NC[C@@H]1CCCO1)[C@@H](C)S(C)(=O)=O
365629838	ZINC000617408077	ref	0.02	-13.09	0	296.279	0.171	2	6	3	COc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@@H](O)C[C@@H](O)C1
365629844	ZINC000617410425	ref	2.83	-16.77	0	252.27	0.506	2	5	4	COC(=O)Cc1cccc(NC(=O)C(C)(C)O)n1
214181690	ZINC000337610769	high	3.61	-44.55	1	285.432	0.632	2	3	7	CCN(CC)CC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1
214181694	ZINC000337612747	ref	-3.12	-13.79	0	284.312	0.487	4	5	6	COc1cc(NC(=O)NC[C@H](O)CO)c(C)c(OC)c1
187168593	ZINC000125073678	ref	3.63	-10.1	0	258.724	2.093	2	2	5	CCNC(=O)[C@H](C)NCc1cccc(Cl)c1F
187168594	ZINC000125073678	mid	4.88	-43.17	1	258.724	2.093	2	1	5	CCNC(=O)[C@H](C)[NH2+]Cc1cccc(Cl)c1F
197590405	ZINC000290087084	ref	7.0	-7.77	0	291.395	2.939	0	4	5	CC(=O)N(CCc1noc([C@@H]2CC=CC[C@H]2C)n1)C(C)C
365629851	ZINC000617409638	ref	0.63	-10.16	0	263.297	0.107	2	4	5	O=C(CNC(=O)c1ccncc1)NC[C@@H]1CCCO1
365629857	ZINC000617409673	ref	4.86	-18.51	0	282.3	0.798	1	6	7	CCn1cc([N+](=O)[O-])c(C(=O)N(CCCO)C2CC2)n1
365629860	ZINC000617408040	ref	4.39	-19.28	0	295.299	0.162	1	6	3	CCn1cc([N+](=O)[O-])c(C(=O)N2CCNC(=O)C[C@@H]2C)n1
290622208	ZINC000492518843	ref	6.05	-21.68	0	296.33	2.395	2	4	4	CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccnc(C)n2)cc1
187168595	ZINC000125075054	ref	5.93	-11.53	0	294.42	2.437	1	4	3	CC(C)(C)c1ncc(/C=C/C(=O)N2CCC[C@H]2CO)s1
349534126	ZINC000093232490	ref	1.34	-48.5	1	279.266	0.088	1	5	5	[NH3+]CCOCCN1CCn2c(nnc2C(F)(F)F)C1
343994860	ZINC000139501259	ref	1.58	-3.25	0	156.225	1.47	1	2	0	O[C@@H]1COC2(CCCCC2)C1
290623533	ZINC000336390312	ref	8.52	-14.65	0	292.423	2.428	0	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)CN3CCCCCC3=O)C2)C1
192037530	ZINC000273073180	ref	8.95	-106.74	2	276.424	2.996	2	1	6	CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1
349534131	ZINC000093231287	ref	3.77	-46.77	1	272.345	0.2	2	4	7	CCOC(=O)C1CCC(NC(=O)COCC[NH3+])CC1
365639018	ZINC000274371352	ref	3.18	-16.21	0	272.312	1.409	2	5	2	Cn1ncc2c1CCC[C@H]2NC(=O)Nc1cncnc1
214181698	ZINC000337614570	ref	5.81	-7.37	0	295.448	2.404	2	3	7	CSCC(C)(C)C(=O)N[C@@H](CO)Cc1ccc(C)cc1
214181702	ZINC000337613723	ref	5.0	-11.05	0	289.379	0.807	0	3	4	C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CC(=O)N1C
365629832	ZINC000625057912	high	5.62	-6.94	0	321.417	2.344	0	5	7	CCN(CCOC1CCOCC1)C[C@H]1COc2ccccc2O1
342594198	ZINC000616955949	low	6.08	-36.59	1	295.383	1.224	1	4	9	C[C@@H](CC(=O)N(CCOCCO)C1CCC1)n1cc[nH+]c1
342594199	ZINC000616955778	ref	4.62	-10.52	0	287.4	1.582	1	4	10	CCC(C)(C)OCC(=O)N(CCOCCO)C1CCC1
365629836	ZINC000625057935	ref	8.42	-10.64	0	308.426	2.053	0	6	6	COC[C@]1(C)CN(c2nnc(C3CC3)n2CC(C)C)CCO1
230721999	ZINC000450360825	ref	6.63	-16.19	0	311.382	1.976	0	5	6	COCCN(CC(=O)N(C)C)c1nc2cccc(F)c2s1
365629842	ZINC000625057384	ref	7.55	-8.43	0	322.453	2.301	0	6	6	CC(C)Cn1c([C@H]2CCCOC2)nnc1N(C)CC1(C)COC1
365629845	ZINC000625055551	ref	4.32	-7.84	0	310.419	2.289	0	4	4	CC(C)Oc1cncc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1
342594200	ZINC000616959505	ref	2.95	-19.67	0	268.263	1.171	2	2	4	O=C(Cc1cccc(C(F)F)c1)N[C@@H]1CCNC1=O
342594201	ZINC000616955863	ref	4.66	-8.29	0	253.342	1.176	1	3	7	O=C([C@@H]1CC12CC2)N(CCOCCO)C1CCC1
187168596	ZINC000125075492	ref	4.43	-10.94	0	266.385	2.577	2	3	6	CC[C@@H](O)CCNC(=O)c1cc(C)n(C(C)C)c1C
365629849	ZINC000625057231	ref	8.68	-10.38	0	322.453	2.128	0	6	7	COC[C@]1(C)CN(c2nnc(CC3CC3)n2CC(C)C)CCO1
365629853	ZINC000625054874	ref	7.03	-49.43	1	316.405	2.212	1	5	6	COc1ccc([C@@H]2CCC[N@@H+]2CCc2cn(C)nn2)cc1OC
365629856	ZINC000625054874	mid	7.71	-45.96	1	316.405	2.212	1	5	6	COc1ccc([C@@H]2CCC[N@H+]2CCc2cn(C)nn2)cc1OC
365629858	ZINC000625054874	high	4.71	-15.5	0	316.405	2.212	0	6	6	COc1ccc([C@@H]2CCCN2CCc2cn(C)nn2)cc1OC
365629861	ZINC000625055146	ref	7.07	-11.73	0	301.394	2.298	1	5	4	CC(C)Cn1c(-c2ccc[nH]2)nnc1N1CC2(CCCO2)C1
342594202	ZINC000616955723	ref	3.31	-7.81	0	287.356	1.891	1	4	7	O=C(c1ccc(F)s1)N(CCOCCO)C1CCC1
365629864	ZINC000625058307	ref	5.77	-10.53	0	319.373	2.32	0	3	7	Cc1ccc(S(=O)(=O)N(C)CCOCC2CC2)c(F)c1F
365629866	ZINC000625055552	ref	4.33	-7.8	0	310.419	2.289	0	4	4	CC(C)Oc1cncc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1
222608372	ZINC000125783397	ref	5.13	-9.36	0	328.372	1.448	1	5	3	CC[C@@H]1CN(C(=O)C(=O)Nc2cnn(-c3ccccc3)c2)CCO1
365629869	ZINC000625057448	ref	7.22	-11.89	0	308.426	2.258	0	6	6	CC(C)Cn1c([C@H]2CCCO2)nnc1N(C)CC1(C)COC1
199272968	ZINC000294964561	ref	0.95	-12.93	0	271.382	1.911	2	4	7	C[C@H](CCO)CCNc1ccc(S(C)(=O)=O)cc1
342087054	ZINC000609029486	ref	6.16	-18.37	0	299.286	1.893	0	5	4	O=C(c1cccc([N+](=O)[O-])c1)N1CC(Oc2ccncc2)C1
398247963	ZINC000650868784	high	4.72	-8.1	0	283.416	1.68	1	3	6	CC[C@H]1CN(C(=O)NCCN(C)C2CC2)[C@@H](CC)CO1
342087055	ZINC000609029486	low	6.62	-52.94	1	299.286	1.893	0	4	4	O=C(c1cccc([N+](=O)[O-])c1)N1CC(Oc2cc[nH+]cc2)C1
342087056	ZINC000025302712	ref	4.57	-21.06	0	293.323	1.906	2	4	4	N#CCSCC(=O)Nc1cc2c(cc1F)CCC(=O)N2
365629848	ZINC000274343229	mid	5.34	-38.9	1	290.371	1.229	2	4	9	Cc1[nH+]ccn1CCCNC(=O)CCCCc1c[nH]nn1
230722014	ZINC000414264101	ref	6.88	-47.73	1	309.475	3.044	1	2	6	Cc1ccccc1C1CC([NH2+]CCC(C)(C)S(C)(=O)=O)C1
342087057	ZINC000625364870	ref	4.01	-13.76	0	271.386	1.999	1	3	2	CC1(C)CCC(C)(C)N(S(=O)(=O)c2c[nH]cn2)C1
365629852	ZINC000274343229	mid	4.87	-15.5	0	290.371	1.229	2	5	9	Cc1nccn1CCCNC(=O)CCCCc1cn[nH]n1
230722025	ZINC000414266228	ref	6.56	-47.99	1	313.438	3.08	1	2	7	CC(C)(CC[NH2+][C@H](c1ccc(F)cc1)C1CC1)S(C)(=O)=O
168365902	ZINC000027185850	ref	-1.93	-50.41	1	185.198	0.912	3	2	2	C[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(O)c1
230722028	ZINC000414266228	high	5.83	-10.33	0	313.438	3.08	1	3	7	CC(C)(CCN[C@H](c1ccc(F)cc1)C1CC1)S(C)(=O)=O
342087058	ZINC000625364704	ref	6.49	-10.7	0	255.358	1.686	0	3	6	CCO[C@@H](C(=O)N(C)C[C@H]1CCCOC1)C1CC1
365629854	ZINC000274343229	low	5.34	-38.9	1	290.371	1.229	2	4	9	Cc1[nH+]ccn1CCCNC(=O)CCCCc1cn[nH]n1
342087059	ZINC000625365850	ref	1.67	-11.46	0	298.346	1.458	0	5	4	COc1cncc(CN2CC(=O)N(C)[C@H]2c2ccccc2)n1
342087060	ZINC000625365754	ref	0.68	-14.21	0	264.329	1.047	1	5	3	C[C@@H]1C(=O)NCCCN1Cc1noc(C2CCC2)n1
342087061	ZINC000625365364	ref	0.42	-9.77	0	260.301	1.013	1	6	3	C1CC(c2nc(CN3CCc4nn[nH]c4C3)no2)C1
342087062	ZINC000625365364	mid	0.42	-7.75	0	260.301	1.013	1	6	3	C1CC(c2nc(CN3CCc4n[nH]nc4C3)no2)C1
342087063	ZINC000625364639	ref	2.34	-13.1	0	281.381	1.543	2	4	4	Cc1nc([C@H](C)NC(=O)[C@H](C)[C@H]2CCC(=O)N2)cs1
398247967	ZINC000650868894	ref	-1.51	-13.58	0	294.351	1.294	4	4	5	C[C@H](NC(=O)NCC[C@]1(O)CCOC1)c1cccc(O)c1
342087064	ZINC000622702090	ref	2.83	-17.78	0	294.326	1.019	2	3	6	COc1cccc(CCC(=O)NC[C@@H]2CNC(=O)C2)c1F
365629859	ZINC000274342982	ref	5.11	-9.87	0	277.276	1.349	1	5	3	COC(=O)C1(C(=O)Nc2cccc3c2OCCO3)CC1
342087065	ZINC000609029370	ref	5.03	-9.01	0	296.327	1.521	1	5	5	CCO[C@H]1CCCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1
343994861	ZINC000079954604	low	7.95	-35.09	1	280.412	2.031	1	2	5	CC[C@@H]1C[N@@H+](CC(=O)N(C2CCCC2)C2CC2)CCO1
343994863	ZINC000079943732	ref	3.64	-12.0	0	282.343	2.18	1	3	3	NC(=O)c1cccc(CN2CCOc3ccccc3C2)c1
282121603	ZINC000533467073	ref	1.74	-13.94	0	267.329	1.916	2	4	2	Cc1nc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)oc1C
282121606	ZINC000533466180	ref	4.98	-15.52	0	299.352	1.478	1	5	6	CN(CCC1CC1)c1cccc([N+](=O)[O-])c1S(N)(=O)=O
282121611	ZINC000533465442	ref	7.33	-13.45	0	277.368	1.836	1	4	5	O=C(COC1CCCC1)NC[C@H]1CCCn2ccnc21
365629862	ZINC000274342314	ref	7.27	-39.98	1	280.324	1.329	1	5	5	CCOC(=O)[C@H]1CCCN1Cc1c[nH]c(C(=O)OC)c1
365629865	ZINC000274342314	low	7.59	-44.43	1	280.324	1.329	2	4	5	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1c[nH]c(C(=O)OC)c1
187168597	ZINC000125073546	ref	6.92	-56.52	1	296.798	2.236	1	2	3	Cc1cc(O[C@@H](C)C(=O)N2CC[NH2+]C[C@H]2C)ccc1Cl
187168598	ZINC000125073546	mid	5.59	-10.4	0	296.798	2.236	1	3	3	Cc1cc(O[C@@H](C)C(=O)N2CCNC[C@H]2C)ccc1Cl
230722035	ZINC000425392357	ref	6.33	-14.03	0	313.405	2.173	2	4	4	N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)nc2)C1
187168599	ZINC000125077246	ref	0.45	-47.49	1	279.34	0.085	3	3	7	CCOc1cc(C)ccc1CNC(=O)CNC(=O)C[NH3+]
197590412	ZINC000290088235	ref	0.29	-16.04	0	284.366	0.763	1	6	5	Cc1nnc(CCNS(=O)(=O)c2cccnc2)s1
230722037	ZINC000425392357	low	6.78	-38.41	1	313.405	2.173	2	3	4	N#C[C@H]1CC[C@@H](NC(=O)NCc2ccc(N3CCCC3)[nH+]c2)C1
230722041	ZINC000425391594	ref	4.52	-9.75	0	303.374	2.281	0	3	2	Cc1cc(F)c(CN2C[C@@H](C)S(=O)(=O)[C@H](C)C2)c(F)c1
365629867	ZINC000274342314	low	7.27	-39.98	1	280.324	1.329	2	4	5	CCOC(=O)[C@H]1CCC[N@H+]1Cc1c[nH]c(C(=O)OC)c1
365629870	ZINC000353180760	ref	2.19	-12.72	0	276.402	1.443	2	3	7	CCCCCNC(=O)NCC1(S(C)(=O)=O)CCC1
365629874	ZINC000274342886	ref	1.87	-11.64	0	278.356	1.931	3	4	5	O=C(NCC1(CCO)CCCCC1)Nc1cncnc1
365629876	ZINC000263554777	ref	6.52	-47.85	-1	257.33	1.705	1	4	7	CCOC1(C(=O)N[C@H](C)CCC(=O)[O-])CCCC1
365629878	ZINC000274342821	ref	6.73	-16.54	0	295.314	1.704	1	5	7	COCCOCCC(=O)Nc1nc2ccc(F)cc2n1C
365629881	ZINC000274343238	ref	3.47	-10.2	0	288.347	1.69	1	4	4	Cc1oc2ccccc2c1CNC(=O)CN1CCOCC1
259309310	ZINC000220339424	mid	0.75	-33.75	1	226.32	0.487	3	2	2	C[C@H](C(N)=O)[N@H+]1CC[C@@]2(O)CCCC[C@@H]2C1
365629882	ZINC000274343065	ref	3.0	-18.98	0	288.355	1.434	3	4	6	O=C(CCCCc1c[nH]nn1)N[C@H]1CCCc2c[nH]nc21
365629871	ZINC000122500077	ref	5.84	-6.58	0	274.364	2.144	1	3	2	N#CC1(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CCC1
365629875	ZINC000122541404	ref	4.89	-5.09	0	259.806	2.319	0	4	2	Cc1nn(C)c(Cl)c1CN1CCS[C@H](C)C1
349534129	ZINC000618811354	ref	5.66	-19.78	0	259.371	1.194	0	4	7	CCN(C[C@@H]1CCOC1)C(=O)CSCC(C)=O
349534135	ZINC000618811244	ref	5.19	-20.57	0	264.354	1.639	0	5	4	C[C@@H](C(=O)N(C)Cc1cn(C)nn1)c1ccsc1
282121614	ZINC000151620050	ref	6.55	-11.28	0	305.422	2.102	0	4	6	CC[C@H](C)OCC(=O)N1CCN([C@@H](C)c2cccnc2)CC1
349534140	ZINC000618811279	ref	4.78	-19.52	0	288.355	1.309	0	6	4	Cc1ncc(C(=O)N(C)Cc2cn(C)nn2)c(C(C)C)n1
282121619	ZINC000151620050	low	8.57	-48.02	1	305.422	2.102	1	3	6	CC[C@H](C)OCC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1
365629877	ZINC000122541404	low	7.2	-38.15	1	259.806	2.319	1	3	2	Cc1nn(C)c(Cl)c1C[N@@H+]1CCS[C@H](C)C1
185087211	ZINC000096070820	high	6.72	-8.08	0	294.402	2.497	0	4	3	Cc1cccc(N2CC3(CCN(Cc4cccnc4)C3)C2)n1
197590413	ZINC000290085564	ref	4.62	-13.11	0	267.379	3.061	2	5	4	CCc1cnc(NC(=O)c2ccc(NC)s2)s1
349534147	ZINC000618811847	ref	5.57	-22.93	0	288.351	1.586	0	5	5	COc1ccc([C@H](C)C(=O)N(C)Cc2cn(C)nn2)cc1
365629879	ZINC000122541404	low	7.23	-36.93	1	259.806	2.319	1	3	2	Cc1nn(C)c(Cl)c1C[N@H+]1CCS[C@H](C)C1
230722043	ZINC000450358220	ref	7.3	-15.57	0	303.406	1.694	1	2	5	CN(C)C(=O)NCCN(C)C(=O)[C@@H]1C[C@@]1(C)c1ccccc1
365629880	ZINC000122617238	ref	3.78	-8.78	0	264.369	2.128	2	3	3	N#CC1(C(=O)NC[C@H]2CCC[C@@H](O)C2)CCCCC1
365629887	ZINC000122491409	ref	4.14	-7.82	0	277.368	2.467	2	3	8	C=CCCOCCNC(=O)Nc1ccccc1N(C)C
303959942	ZINC000563541272	ref	7.03	-19.62	0	311.389	1.612	1	5	5	Cc1nc(-c2ccccn2)nc(NCCN2CCCC2=O)c1C
303959944	ZINC000563541011	ref	3.45	-15.68	0	305.378	1.655	3	4	7	CCC[C@H](C)[C@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc21
303959947	ZINC000563542276	ref	6.16	-10.71	0	304.423	1.254	0	7	4	CSc1ccnc(N2CCN(Cc3nccn3C)CC2)n1
342594203	ZINC000616955935	ref	4.13	-7.37	0	299.411	1.582	1	4	9	C[C@@H](CC(=O)N(CCOCCO)C1CCC1)[C@@H]1CCCO1
303959949	ZINC000563542276	low	6.36	-33.38	1	304.423	1.254	0	6	4	CSc1ccnc(N2CCN(Cc3[nH+]ccn3C)CC2)n1
185087214	ZINC000096071256	ref	4.95	-16.79	0	278.377	1.562	1	3	2	O=C1CC[C@]2(CCCN(C(=O)Cc3cccs3)C2)N1
365629890	ZINC000122476464	ref	5.96	-8.23	0	274.43	2.394	0	2	7	C=CCCCN(C)S(=O)(=O)N(C)C1CCCCC1
178298909	ZINC000006266435	ref	11.2	-6.74	0	246.313	3.87	0	2	2	Cc1cc2ccccc2n1Cc1ccccc1C#N
178298921	ZINC000103963750	ref	6.74	-8.63	0	242.322	3.134	1	3	2	Cc1cc2ccccc2nc1N[C@@H]1CCCOC1
178298924	ZINC000103963750	low	7.07	-24.15	1	242.322	3.134	1	2	2	Cc1cc2ccccc2[nH+]c1N[C@@H]1CCCOC1
178298928	ZINC000063106145	ref	8.05	-6.83	0	212.296	3.364	1	2	2	Cc1cc2ccccc2nc1N[C@@H]1C[C@H]1C
365629872	ZINC000625057551	ref	4.46	-11.84	0	307.387	2.447	1	3	4	Cc1ccc(S(=O)(=O)NC[C@H]2CCCS2)c(F)c1F
398247965	ZINC000356404176	ref	0.02	-9.73	0	239.275	0.392	2	4	4	CO[C@]1(C(=O)N[C@@H](C)c2cn[nH]c2)CCOC1
365629873	ZINC000625057551	high	4.4	-48.84	-1	307.387	2.447	0	3	4	Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCS2)c(F)c1F
365639021	ZINC000625087938	low	5.91	-48.87	1	301.312	2.201	2	2	3	CC(=O)N[C@@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1
365639026	ZINC000625087938	low	6.46	-46.72	1	301.312	2.201	2	2	3	CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1
178298932	ZINC000063106145	low	8.37	-22.96	1	212.296	3.364	1	1	2	Cc1cc2ccccc2[nH+]c1N[C@@H]1C[C@H]1C
178298935	ZINC000063106142	ref	8.18	-6.74	0	212.296	3.364	1	2	2	Cc1cc2ccccc2nc1N[C@@H]1C[C@@H]1C
365639029	ZINC000625087528	ref	5.07	-13.57	0	315.483	2.401	1	4	8	CCc1nn(C)c(CC)c1CNS(=O)(=O)CC(C)(C)CC
365639033	ZINC000625086415	ref	2.17	-16.26	0	308.359	2.295	2	4	5	CCOc1ccc(S(=O)(=O)Nc2ccc[nH]c2=O)c(C)c1
365639039	ZINC000625084587	ref	5.67	-9.07	0	322.371	2.431	0	3	5	CCCN(CC(F)(F)F)C(=O)CN1CCO[C@@H]2CCCC[C@@H]21
230722060	ZINC000414265979	ref	8.23	-15.26	0	309.475	3.361	0	2	8	CCCC[S@@](=O)[C@@H](C)C(=O)N(Cc1ccccc1)C(C)C
365639043	ZINC000625088453	ref	4.7	-39.57	1	306.454	2.429	2	3	8	CCCC[N@H+](C)CC1CC[NH+](Cc2cncc(OC)n2)CC1
230722066	ZINC000414266755	ref	7.39	-19.46	0	313.85	3.161	0	2	5	C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[S@](=O)C1CCC1
365639047	ZINC000625088453	mid	4.7	-38.67	1	306.454	2.429	2	3	8	CCCC[N@@H+](C)CC1CC[NH+](Cc2cncc(OC)n2)CC1
178298938	ZINC000063106142	low	8.5	-22.97	1	212.296	3.364	1	1	2	Cc1cc2ccccc2[nH+]c1N[C@@H]1C[C@@H]1C
178298942	ZINC000006546032	ref	10.56	-6.3	0	221.303	3.998	0	1	2	Cc1cc2ccccc2n1Cc1ccccc1
398247971	ZINC000356389439	ref	5.03	-46.43	1	223.32	1.243	1	3	6	CO[C@H](C[NH2+]Cc1cc(C)nn1C)C1CC1
365639048	ZINC000625088453	mid	4.7	-39.57	1	306.454	2.429	1	4	8	CCCC[N@H+](C)CC1CCN(Cc2cncc(OC)n2)CC1
398247974	ZINC000356389439	high	3.7	-6.05	0	223.32	1.243	1	4	6	CO[C@H](CNCc1cc(C)nn1C)C1CC1
282121615	ZINC000533465442	low	7.95	-38.26	1	277.368	1.836	1	3	5	O=C(COC1CCCC1)NC[C@H]1CCCn2cc[nH+]c21
365629883	ZINC000274343065	mid	2.92	-15.45	0	288.355	1.434	3	4	6	O=C(CCCCc1cn[nH]n1)N[C@H]1CCCc2c[nH]nc21
214181707	ZINC000337613723	mid	7.27	-46.46	1	289.379	0.807	1	2	4	C[C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)CC(=O)N1C
365629884	ZINC000274343411	ref	5.66	-42.21	1	255.387	1.546	1	4	7	COCC[C@@H](C)[NH2+]CCc1cn2c(n1)SCC2
365629885	ZINC000274341699	ref	1.53	-11.11	0	264.314	1.519	2	6	3	Cc1nnc([C@H](C)NC(=O)Nc2cncnc2)s1
365629886	ZINC000274343091	ref	2.83	-19.64	0	284.275	1.423	0	7	3	O=c1c2c(ncn1Cc1nnc(-c3ccco3)o1)CCC2
365629888	ZINC000274343908	ref	3.67	-14.36	0	265.309	1.671	1	4	5	CCOCC(=O)N[C@H]1CCOc2ccc(OC)cc21
299072096	ZINC000567664034	high	5.72	-7.91	0	260.381	2.253	2	2	6	N[C@H](CC(=O)NCC1CCCC1)Cc1ccccc1
365629889	ZINC000274342825	ref	3.76	-16.03	0	292.335	1.943	2	4	5	CCO[C@@H](C)C(=O)Nc1cc2c(cc1OC)CCC(=O)N2
365629891	ZINC000274343542	ref	5.44	-37.57	1	277.372	1.213	1	5	5	CC(C)CCNc1cc(N2CCN(C)C(=O)C2)ncn1
365629892	ZINC000274343542	low	5.45	-41.21	1	277.372	1.213	1	4	5	CC(C)CCNc1cc(N2CCN(C)C(=O)C2)nc[nH+]1
365629895	ZINC000274343542	low	5.44	-37.57	1	277.372	1.213	1	4	5	CC(C)CCNc1cc(N2CCN(C)C(=O)C2)[nH+]cn1
365629896	ZINC000274343478	ref	5.34	-18.16	0	298.412	1.208	1	5	6	COC[C@@H](C)N(C)C(=O)NCCc1cn2c(n1)SCC2
365629898	ZINC000274344134	ref	1.83	-9.62	0	264.329	1.539	3	4	4	O=C(NC[C@H](O)C1CCCCC1)Nc1cncnc1
365629901	ZINC000274341676	ref	3.22	-8.81	0	250.302	1.556	2	4	3	C[C@H](NC(=O)Nc1cncnc1)[C@@H]1CCCCO1
365629905	ZINC000274341681	ref	5.63	-44.92	1	277.372	1.72	3	3	5	C[C@@H](CNC(=O)Nc1cncnc1)C[NH+]1CCCCC1
365629906	ZINC000274341551	ref	7.14	-12.88	0	287.319	1.212	1	5	4	COC(=O)C1(C(=O)NCc2cn3cc(C)ccc3n2)CC1
282121620	ZINC000533466645	ref	1.97	-12.24	0	272.312	1.446	1	7	4	Cc1nc(C(C)(C)NCc2cnc3cnccn23)no1
342594204	ZINC000590777684	ref	0.25	-12.42	0	277.28	1.785	1	7	5	COC(=O)c1ccc(OC)cc1NCc1nnc(C)o1
365629909	ZINC000274341551	low	7.59	-33.49	1	287.319	1.212	1	4	4	COC(=O)C1(C(=O)NCc2cn3cc(C)ccc3[nH+]2)CC1
365629911	ZINC000274344100	ref	3.88	-10.15	0	262.313	1.556	2	4	3	O=C(Nc1cncnc1)N[C@@H]1CCO[C@@H](C2CC2)C1
365629914	ZINC000274341795	ref	0.93	-15.02	0	287.381	1.955	2	4	6	O=S(=O)(N[C@H](CCO)c1ccco1)C1CCCCC1
342594205	ZINC000616955975	ref	2.43	-20.06	0	298.342	1.483	3	3	4	O=C(CCc1ccc2ccccc2c1O)N[C@H]1CCNC1=O
365629893	ZINC000354696366	ref	4.8	-18.15	0	295.404	1.71	1	3	5	Cc1cccc(C)c1OCCC(=O)N[C@H]1CC[S@@](=O)C1
365629897	ZINC000354696800	ref	3.5	-12.2	0	274.276	1.951	1	5	4	COC(=O)Cc1ccccc1NC(=O)c1ocnc1C
342594206	ZINC000616955975	high	3.2	-57.57	-1	298.342	1.483	2	3	4	O=C(CCc1ccc2ccccc2c1[O-])N[C@H]1CCNC1=O
342594207	ZINC000194285039	ref	6.16	-13.83	0	286.335	1.882	3	4	4	CCc1ccc(O)c(C(=O)NC2(c3nc[nH]n3)CCC2)c1
349534130	ZINC000602429479	ref	6.69	-35.92	1	229.32	1.44	1	3	8	CCC[N@H+](CCC[C@H]1CCO1)CC(=O)OC
230722070	ZINC000450359060	ref	1.65	-12.22	0	323.393	1.719	1	6	8	COC(=O)c1coc(CN(CCC2CCCCC2)CC(N)=O)n1
365629900	ZINC000367180137	ref	4.66	-10.96	0	262.357	1.897	2	3	4	Cn1cc2c(n1)CCC[C@@H]2NC(=O)NCCC1CC1
365629903	ZINC000354696718	ref	1.6	-17.25	0	271.264	1.419	2	3	5	CC[C@H](CC(F)(F)F)NS(=O)(=O)c1c[nH]cn1
349534134	ZINC000602429479	mid	6.68	-36.86	1	229.32	1.44	1	3	8	CCC[N@@H+](CCC[C@H]1CCO1)CC(=O)OC
365629907	ZINC000354696718	high	1.63	-47.3	-1	271.264	1.419	1	3	5	CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1c[nH]cn1
342594208	ZINC000194285039	mid	5.78	-20.54	0	286.335	1.882	3	4	4	CCc1ccc(O)c(C(=O)NC2(c3nnc[nH]3)CCC2)c1
349534138	ZINC000602429479	mid	4.7	-8.53	0	229.32	1.44	0	4	8	CCCN(CCC[C@H]1CCO1)CC(=O)OC
365629910	ZINC000354696783	ref	4.16	-39.74	1	287.4	1.485	2	4	9	COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)CC1CCCC1
365629913	ZINC000354696783	high	2.81	-5.02	0	287.4	1.485	2	5	9	COC[C@@](C)(CC(=O)OC)NC[C@@H](O)CC1CCCC1
299072097	ZINC000459273725	ref	6.96	-12.2	0	308.332	2.601	1	3	4	C[C@@H](NC(=O)N(C)Cc1c(F)cccc1F)c1ccn(C)n1
214181710	ZINC000337613723	mid	7.26	-46.47	1	289.379	0.807	1	2	4	C[C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)CC(=O)N1C
349534142	ZINC000602428954	ref	-2.68	-10.74	0	241.291	1.025	3	4	6	CCC[C@](C)(O)CNC(=O)NCc1cocn1
214181714	ZINC000337614781	ref	7.15	-36.23	1	291.395	0.694	1	2	4	O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCN(C2CC2)C(=O)C1
342594209	ZINC000194285039	high	7.17	-60.29	-1	286.335	1.882	2	4	4	CCc1ccc([O-])c(C(=O)NC2(c3nc[nH]n3)CCC2)c1
230722091	ZINC000450356093	ref	5.09	-16.04	0	309.41	1.111	1	3	4	CN(C)C(=O)NCCN(C)C(=O)[C@@]12CC[C@@H](CC1=O)C2(C)C
349534150	ZINC000602430059	ref	7.74	-42.24	1	238.331	2.423	2	2	7	CCC[N@H+](CC)Cc1ccc(C(=O)OCC)[nH]1
365629916	ZINC000354696994	ref	5.27	-7.88	0	281.299	1.852	1	4	7	CCC[C@@H](NC(=O)COC(F)F)C(=O)OC(C)(C)C
342087066	ZINC000609029370	mid	5.54	-15.71	0	296.327	1.521	1	5	5	CCO[C@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1
365629894	ZINC000122585977	ref	6.83	-30.49	1	297.196	2.273	1	1	3	C[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1Br
230722080	ZINC000414263827	ref	8.25	-49.97	1	323.506	3.009	1	4	6	CSCC1CCC([NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)CC1
365629899	ZINC000122569013	ref	2.41	-7.34	0	298.427	2.21	3	3	9	C=CCCOCCNC(=O)N[C@](C)(CO)C1CCCCC1
365629902	ZINC000122520317	ref	4.22	-14.48	0	286.335	2.159	0	4	1	Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)N(C)C)o1
398247969	ZINC000651458042	low	7.68	-30.14	1	299.212	3.38	1	2	6	Cc1cc[nH+]c(N[C@H](C)COCC2CC2)c1Br
365629904	ZINC000122502356	ref	5.38	-10.18	0	275.414	2.006	0	3	5	CCO[C@H]1C[C@@H](N(C)S(=O)(=O)CC)C12CCCC2
398247973	ZINC000651458582	ref	9.21	-9.11	0	294.439	3.31	1	2	5	CCC[C@@]1(COC)CCCN1C(=O)NC1CC2(CCC2)C1
230722092	ZINC000414265503	ref	7.66	-18.4	0	315.438	3.318	1	2	5	C[C@H](NC(=O)C[S@](=O)C1CCC1)c1ccc2ccccc2c1
342087067	ZINC000625364662	ref	4.68	-9.51	0	264.329	1.112	0	5	4	CN(C[C@@H]1CCCOC1)C(=O)c1cn(C2CC2)nn1
230722096	ZINC000414266784	ref	6.08	-16.75	0	321.364	3.46	0	3	4	COc1ccnc(C[S@](=O)C2CCC(C(F)(F)F)CC2)c1
342087068	ZINC000625364629	ref	3.51	-7.63	0	263.403	1.863	0	3	4	COCCS(=O)(=O)N1CC(C)(C)CCC1(C)C
342087069	ZINC000625365675	ref	2.45	-11.35	0	298.184	1.554	1	3	2	C[C@H]1C(=O)NCCCN1Cc1ccncc1Br
365629908	ZINC000122541163	ref	8.92	-15.97	0	280.412	2.426	0	2	3	CCC[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C(C)=O)C1
365629912	ZINC000122613880	ref	4.8	-8.07	0	298.427	2.474	2	3	10	C=CCCOCCNC(=O)NCCO[C@@H]1CCCC[C@H]1C
365629915	ZINC000122582758	ref	2.99	-8.23	0	261.293	2.126	1	2	4	C=C[C@@H](C)NS(=O)(=O)c1cc(F)c(C)cc1F
342087070	ZINC000625364353	ref	4.82	-17.22	0	251.273	1.153	0	3	6	CN(C[C@@H]1CCCOC1)C(=O)COCC(F)F
342087071	ZINC000625364912	ref	4.82	-6.6	0	262.309	1.32	1	3	4	CN(Cc1ccco1)C(=O)C(=O)NCC1CC=CC1
342087072	ZINC000625365128	ref	2.89	-10.16	0	259.371	1.441	1	3	6	O=S(=O)(CC[C@@H]1CCCO1)NCC1CC=CC1
365629918	ZINC000122582758	high	3.27	-42.42	-1	261.293	2.126	0	2	4	C=C[C@@H](C)[N-]S(=O)(=O)c1cc(F)c(C)cc1F
349536121	ZINC000258993183	ref	9.3	-42.13	0	237.274	2.122	1	2	5	C[N@H+](Cc1ccccc1F)CC1(C(=O)[O-])CC1
342087073	ZINC000625365849	ref	1.22	-9.91	0	298.346	1.458	0	5	4	COc1cncc(CN2CC(=O)N(C)[C@@H]2c2ccccc2)n1
365629920	ZINC000122516790	ref	7.24	-39.9	1	297.443	2.095	2	2	9	C=CCCOCCNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C
365629917	ZINC000623060365	ref	5.38	-37.44	1	304.394	1.076	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1
282121616	ZINC000449151500	high	4.39	-10.92	0	293.386	2.394	2	3	5	CC(C)NC(=O)[C@@H]1CCC[C@@H](NCc2ccncc2F)C1
282121622	ZINC000449151952	ref	4.08	-9.76	0	297.358	2.347	2	4	3	C[C@H](NC(=O)c1ccc(N)cn1)[C@@H]1Oc2ccccc2[C@H]1C
365629924	ZINC000623060273	ref	7.61	-46.45	1	303.41	1.154	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1
168364520	ZINC000368499123	ref	8.67	-59.38	1	328.387	3.233	2	2	5	O=C1CC[C@@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C2CC2)N1
365629933	ZINC000623059579	ref	4.46	-43.93	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@H]2[NH2+]CC[C@H]2C1
342594210	ZINC000590778184	ref	6.11	-12.33	0	299.374	1.802	1	4	5	N#CCc1cccc(NCC(=O)N2CCOC[C@@H]2C2CC2)c1
342594211	ZINC000616956211	ref	3.4	-10.74	0	263.284	1.032	1	3	7	O=C([C@@H]1CC1(F)F)N(CCOCCO)C1CCC1
365629937	ZINC000623061106	ref	4.91	-62.09	1	314.393	1.75	3	4	4	CC(C)([NH3+])CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365629940	ZINC000623061111	ref	7.06	-49.7	1	317.433	1.865	1	2	4	COCC[NH2+]C1CCN(C(=O)N2CCc3ccccc3C2)CC1
365629943	ZINC000623060867	ref	4.23	-36.12	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1
365629947	ZINC000623059302	ref	3.9	-45.02	1	312.345	1.821	2	4	5	C[NH2+]C[C@@H](C)NC(=O)c1nnc(-c2c(F)cccc2F)s1
365629950	ZINC000623060405	ref	5.0	-47.57	1	306.41	1.514	2	4	7	CCn1cc(C(=O)C(=O)NCC[NH2+]C2CCCCCC2)cn1
365629952	ZINC000623061259	ref	4.25	-41.88	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@H]2CC[NH2+][C@@H]2C1
365629956	ZINC000623059234	ref	1.46	-55.81	1	318.377	1.455	4	3	5	CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365629959	ZINC000623059234	high	-0.35	-80.27	0	318.377	1.455	3	3	5	CC(C)C[C@@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
306234622	ZINC000557915838	ref	7.14	-26.43	0	339.395	1.908	1	4	6	C[C@@H]1C[C@H](NC(=O)COCc2cccnc2)C(=O)N1c1ccccc1
365629961	ZINC000623059293	ref	6.16	-49.05	1	307.785	1.556	1	4	5	CN(CCC[NH3+])C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
306234623	ZINC000557903012	ref	1.22	-18.15	0	331.463	1.33	2	5	5	CCc1cnc(CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)s1
365629965	ZINC000623061119	ref	3.79	-48.5	1	309.414	1.004	2	5	7	COCc1nc(C(=O)NCC[NH2+]C2CCCCCC2)n(C)n1
343994864	ZINC000599274068	mid	3.09	-48.11	1	270.373	1.026	2	4	8	COCCC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1
365629919	ZINC000274342356	ref	0.98	-11.32	0	294.399	1.85	4	3	6	Cc1n[nH]cc1CNC(=O)NCC1(CCO)CCCCC1
365629922	ZINC000274342356	mid	0.92	-11.04	0	294.399	1.85	4	3	6	Cc1[nH]ncc1CNC(=O)NCC1(CCO)CCCCC1
178298927	ZINC000237135103	ref	2.04	-61.65	1	357.451	1.371	3	3	6	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1
214181711	ZINC000293539458	ref	4.22	-64.14	1	359.426	0.783	2	4	6	COc1cc(/C=C/C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)ccc1OCC(N)=O
178298930	ZINC000237127808	ref	6.68	-52.36	1	359.47	1.815	1	3	4	C[NH2+]C1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1
365629925	ZINC000274343292	ref	5.91	-14.2	0	292.404	1.545	1	3	5	CCSc1ccc(CC(=O)N2CC(C(=O)NC)C2)cc1
342594212	ZINC000590778183	ref	6.48	-12.44	0	299.374	1.802	1	4	5	N#CCc1cccc(NCC(=O)N2CCOC[C@H]2C2CC2)c1
365629930	ZINC000274342869	ref	4.47	-8.68	0	274.324	1.556	2	4	2	O=C(Nc1cncnc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2
365639022	ZINC000274368756	ref	5.5	-44.8	1	290.367	1.812	2	5	4	CCC1(O)CC[NH+](Cc2cc(-c3cnn(C)c3)no2)CC1
365639028	ZINC000274368756	mid	3.14	-9.0	0	290.367	1.812	1	6	4	CCC1(O)CCN(Cc2cc(-c3cnn(C)c3)no2)CC1
230722117	ZINC000414265346	ref	5.47	-9.03	0	323.318	3.281	1	4	4	COc1cccc2c1CC[C@H]2NCc1nccc(C(F)(F)F)n1
230722119	ZINC000414265346	low	6.86	-42.98	1	323.318	3.281	1	3	4	COc1cccc2c1CC[C@H]2[NH2+]Cc1nccc(C(F)(F)F)n1
365639031	ZINC000274368700	ref	3.54	-45.83	1	295.335	1.529	2	5	7	COC(=O)C1=C(C)O[C@@H](C[NH2+][C@H](CCO)c2ccco2)C1
230722123	ZINC000414266394	ref	6.91	-15.48	0	308.369	3.098	0	3	3	Cc1nn(C)cc1C[S@](=O)C1CCC(C(F)(F)F)CC1
178298934	ZINC000237126248	ref	4.48	-52.75	1	363.487	1.272	2	5	4	C[NH2+]C1CCN(C(=O)[C@H](C)NC(=O)c2cc3c(C)nn(C)c3s2)CC1
365639037	ZINC000274368700	mid	2.45	-8.7	0	295.335	1.529	2	6	7	COC(=O)C1=C(C)O[C@@H](CN[C@H](CCO)c2ccco2)C1
365639040	ZINC000274367947	ref	3.25	-11.43	0	279.724	1.321	0	4	2	Cn1cc(S(=O)(=O)N2CCC=C(F)C2)nc1Cl
365639053	ZINC000274371354	ref	3.11	-16.11	0	272.312	1.409	2	5	2	Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cncnc1
365639059	ZINC000274368706	ref	3.5	-49.2	1	295.335	1.529	2	5	7	COC(=O)C1=C(C)O[C@@H](C[NH2+][C@@H](CCO)c2ccco2)C1
342594213	ZINC000616956697	ref	2.83	-17.76	0	275.352	1.386	2	3	4	CCc1nc(C(C)C)ccc1C(=O)N[C@H]1CCNC1=O
343994865	ZINC000139482831	ref	4.92	-4.1	0	176.137	2.503	0	1	2	CCOc1cc(F)cc(F)c1F
214181715	ZINC000337614781	high	4.78	-9.81	0	291.395	0.694	0	3	4	O=C([C@H](C1CC1)N1CCCC1)N1CCN(C2CC2)C(=O)C1
214181720	ZINC000337613310	ref	5.11	-82.59	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1
214181723	ZINC000337613310	mid	5.42	-82.77	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1
214181726	ZINC000337613310	mid	1.92	-39.26	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1
214181728	ZINC000337613310	mid	2.24	-39.16	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1
214181733	ZINC000337612899	ref	5.1	-11.98	0	279.34	0.825	1	5	8	CCN(CCOCCO)C(=O)c1ccnc(C2CC2)n1
214181739	ZINC000337612710	ref	1.32	-12.92	0	286.372	0.149	2	4	8	CC[C@@H]1C[C@H](C(=O)N(CC)CCOCCO)CC(=O)N1
342087074	ZINC000625364462	ref	2.22	-23.68	0	277.299	1.297	2	3	6	CCN(CC(N)=O)CC(=O)c1c[nH]c2ccc(F)cc12
342087075	ZINC000625364706	ref	6.38	-9.98	0	255.358	1.686	0	3	6	CCO[C@H](C(=O)N(C)C[C@H]1CCCOC1)C1CC1
342087076	ZINC000625365517	ref	2.01	-36.07	1	279.384	1.858	2	4	6	COc1cncc(C[N@@H+]2CCC[C@]2(CO)CC(C)C)n1
342087077	ZINC000625365517	mid	2.08	-34.21	1	279.384	1.858	2	4	6	COc1cncc(C[N@H+]2CCC[C@]2(CO)CC(C)C)n1
214181741	ZINC000337613898	ref	1.08	-19.19	0	290.385	-0.0	2	4	5	CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCO1
214181745	ZINC000337613638	ref	7.2	-11.01	0	257.374	2.219	0	3	9	CCCCCOC1CN(C(=O)CO[C@H](C)CC)C1
214181749	ZINC000337612743	ref	0.27	-10.65	0	289.372	0.476	2	5	8	COC(C)(C)CC(=O)NCC1(OCCO)CCOCC1
214181752	ZINC000337612114	ref	7.43	-12.43	0	293.33	2.477	1	5	4	CCc1cccnc1NC(=O)c1cn(-c2ccccc2)nn1
214181755	ZINC000337613154	ref	9.72	-39.44	1	266.36	2.434	1	1	6	CC[NH+](CC)CC(=O)N(C)Cc1ccc(F)cc1C
214181759	ZINC000337613154	high	7.69	-9.48	0	266.36	2.434	0	2	6	CCN(CC)CC(=O)N(C)Cc1ccc(F)cc1C
214181762	ZINC000337614667	ref	8.19	-39.14	1	280.437	2.409	2	2	8	CC[NH+](CC)CC(=O)NCCc1ccc(SC)cc1
214181764	ZINC000337614667	high	6.11	-10.38	0	280.437	2.409	1	3	8	CCN(CC)CC(=O)NCCc1ccc(SC)cc1
214181769	ZINC000337611204	ref	3.19	-13.96	0	259.346	0.659	1	4	7	CCN(CCOCCO)C(=O)[C@H]1CCCO[C@H]1C
214181773	ZINC000337611791	ref	6.3	-12.45	0	290.388	3.041	0	4	4	COc1c(C)cc(CN(C)C(=O)c2cncs2)cc1C
342087078	ZINC000625365517	high	-0.84	-5.4	0	279.384	1.858	1	5	6	COc1cncc(CN2CCC[C@]2(CO)CC(C)C)n1
342087079	ZINC000625364929	ref	1.47	-8.35	0	254.286	1.182	0	5	4	COc1nc(C(=O)N(C)C[C@H]2CCCOC2)co1
365629921	ZINC000354697149	ref	6.26	-42.89	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C
178298937	ZINC000237127094	ref	5.55	-37.91	1	353.488	1.539	1	3	6	C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
365629927	ZINC000354697149	mid	7.21	-43.77	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C
365629928	ZINC000354697149	high	4.75	-8.7	0	290.407	1.64	2	3	5	CC(C)[C@H](O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@H]1C
365629932	ZINC000457193376	ref	4.3	-14.48	0	273.336	1.888	1	4	3	CC1(C)C[C@H](CNC(=O)c2ccnc(C#N)c2)CCO1
178298940	ZINC000237126709	ref	6.7	-67.29	-1	350.396	1.955	0	7	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc(-c3ccc(C)o3)n2)C1
365629935	ZINC000354697681	ref	4.36	-21.46	0	295.404	1.71	1	3	5	Cc1ccc(OCCC(=O)N[C@@H]2CC[S@@](=O)C2)cc1C
178298944	ZINC000237127580	ref	4.0	-54.51	1	351.472	1.207	2	3	5	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1
365629939	ZINC000354697026	ref	7.26	-10.89	0	293.319	1.54	1	5	6	COC(=O)Cc1ccccc1NC(=O)C[C@H](C)C(=O)OC
230722140	ZINC000450357426	ref	5.84	-18.14	0	317.364	1.745	1	4	3	Cc1nn(C)cc1CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1
343994866	ZINC000079943732	mid	5.9	-43.59	1	282.343	2.18	2	2	3	NC(=O)c1cccc(C[N@@H+]2CCOc3ccccc3C2)c1
365629941	ZINC000354696834	ref	5.13	-12.34	0	294.326	1.018	1	3	3	CC(C)[C@H](O)C(=O)N1CCN(c2cccc(F)c2)C(=O)C1
365629945	ZINC000354696187	ref	4.75	-10.25	0	293.319	1.22	1	5	4	COC(=O)C[C@]1(NC(=O)c2occ3c2CCC3)CCOC1
365629949	ZINC000643429702	ref	6.61	-61.62	-1	279.34	1.427	1	5	4	C[C@@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccnn1C
295666819	ZINC000332717215	ref	3.67	-10.3	0	297.424	1.382	3	3	3	O=C1CC[C@H](NC(=O)NC[C@@H]2CCCS2)C2(CCC2)N1
365629953	ZINC000354697085	ref	7.17	-8.45	0	297.351	1.2	1	5	7	C/C=C/C[C@H](NC(=O)[C@@H]1CC[C@H]1C(=O)OC)C(=O)OCC
365629955	ZINC000354696286	ref	2.66	-18.85	0	280.246	1.957	1	4	6	Cc1cnc(COCC(=O)N[C@@H](C)CC(F)(F)F)o1
365629960	ZINC000639790747	ref	5.34	-22.33	0	275.308	1.917	2	4	3	Cc1ccc(CNC(=O)Nc2c(C)ccn(C)c2=O)o1
365629962	ZINC000354696060	ref	2.99	-15.08	0	257.38	1.489	1	3	3	C[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)c1ccsc1
365629964	ZINC000367180135	ref	4.66	-11.08	0	262.357	1.897	2	3	4	Cn1cc2c(n1)CCC[C@H]2NC(=O)NCCC1CC1
365629966	ZINC000354696369	ref	4.71	-16.1	0	295.404	1.71	1	3	5	Cc1cccc(C)c1OCCC(=O)N[C@@H]1CC[S@](=O)C1
342087080	ZINC000625364620	ref	5.59	-13.31	0	264.354	1.834	1	5	4	Cc1nc([C@@H](C)NC(=O)Cn2cncc2C)cs1
365629923	ZINC000122516790	mid	7.24	-39.9	1	297.443	2.095	2	2	9	C=CCCOCCNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C
365629926	ZINC000122563548	ref	7.64	-46.59	1	294.374	2.463	3	2	4	C[C@@H]1CCC[N@@H+](C[C@@H](C)NC(=O)Nc2ccc(F)cn2)C1
342087081	ZINC000625364620	mid	6.11	-34.32	1	264.354	1.834	1	4	4	Cc1nc([C@@H](C)NC(=O)Cn2c[nH+]cc2C)cs1
230722137	ZINC000414266103	ref	6.99	-15.0	0	307.459	3.334	1	2	7	CCC[C@H](NC(=O)[C@@H](C)[S@@](=O)C1CCC1)c1ccccc1
342087082	ZINC000625365851	ref	3.14	-11.87	0	292.364	1.669	1	6	3	Cc1nc([C@@H](C)NC(=O)c2cn3c(n2)COCC3)cs1
168365906	ZINC000027185850	high	-1.15	-59.23	0	185.198	0.912	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1ccc(F)c([O-])c1
342087083	ZINC000625365755	ref	1.23	-12.13	0	264.329	1.047	1	5	3	C[C@H]1C(=O)NCCCN1Cc1noc(C2CCC2)n1
230722139	ZINC000414265832	ref	8.12	-43.68	1	307.319	3.143	1	2	3	FC(F)(F)c1ccnc(C[NH2+][C@@H]2CCc3ccccc3C2)n1
230722141	ZINC000414265832	mid	6.94	-6.66	0	307.319	3.143	1	3	3	FC(F)(F)c1ccnc(CN[C@@H]2CCc3ccccc3C2)n1
342087084	ZINC000609029592	ref	3.32	-15.47	0	282.3	1.179	2	5	6	CCc1n[nH]c(C(=O)NCC[C@H]2CCCO2)c1[N+](=O)[O-]
342087085	ZINC000625365674	ref	2.28	-11.13	0	298.184	1.554	1	3	2	C[C@@H]1C(=O)NCCCN1Cc1ccncc1Br
365629929	ZINC000122563548	mid	7.57	-48.03	1	294.374	2.463	3	2	4	C[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)Nc2ccc(F)cn2)C1
365629931	ZINC000122563548	high	5.25	-12.11	0	294.374	2.463	2	3	4	C[C@@H]1CCCN(C[C@@H](C)NC(=O)Nc2ccc(F)cn2)C1
365629934	ZINC000122594746	ref	7.05	-41.65	1	257.74	2.217	1	2	4	FCCC[NH+]1CCN(c2ccc(Cl)cn2)CC1
365629936	ZINC000122594746	mid	4.63	-5.26	0	257.74	2.217	0	3	4	FCCCN1CCN(c2ccc(Cl)cn2)CC1
342087086	ZINC000609029593	ref	5.89	-13.52	0	279.299	1.857	0	4	3	N#Cc1ccc(C(=O)N2CC(Oc3ccncc3)C2)cc1
365629938	ZINC000122579826	ref	5.24	-9.66	0	255.358	2.04	1	3	6	C=CCCO[C@H](C)C(=O)NC1C[C@H](C)O[C@@H](C)C1
365629942	ZINC000122582752	ref	8.03	-36.43	1	288.391	2.304	1	2	6	C=CCOc1ccc(C[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1
230722163	ZINC000414264882	ref	7.45	-22.36	0	305.447	3.179	0	4	6	CCn1nnc(C)c1C[S@@](=O)Cc1ccc(C(C)C)cc1
178305745	ZINC000019280567	low	7.41	-106.5	2	229.327	2.705	1	1	1	Cc1cc2[nH+]cn([C@@H]3CCC[C@@H]3[NH3+])c2cc1C
259309312	ZINC000220339424	high	-0.76	-8.94	0	226.32	0.487	2	3	2	C[C@H](C(N)=O)N1CC[C@@]2(O)CCCC[C@@H]2C1
365639023	ZINC000175990990	ref	6.17	-8.3	0	208.265	1.632	2	3	3	CCC1(C(=O)Nc2n[nH]c(C)n2)CCC1
365629944	ZINC000122582752	mid	8.26	-39.62	1	288.391	2.304	1	2	6	C=CCOc1ccc(C[N@@H+]2CCC[C@H]2C(=O)N(C)C)cc1
365629946	ZINC000122582752	mid	5.93	-11.48	0	288.391	2.304	0	3	6	C=CCOc1ccc(CN2CCC[C@H]2C(=O)N(C)C)cc1
178298947	ZINC000237127580	high	2.73	-14.23	0	351.472	1.207	2	4	5	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@H](C)NC[C@@H]2C)cc1
365629948	ZINC000122635679	ref	5.0	-21.28	0	256.356	2.282	1	6	6	CC(=O)Nc1nnc(SCCCCC#N)s1
178298951	ZINC000237127053	ref	2.95	-52.9	1	351.472	1.195	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H](C[NH3+])C2)cc1
178298954	ZINC000237127864	ref	6.88	-58.75	1	359.47	1.815	1	3	4	C[NH2+]C1CCN(C(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1
178298957	ZINC000237126038	ref	4.22	-69.45	1	359.451	1.599	1	3	4	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)c1ccc(C[NH3+])cc1)CC2
365629951	ZINC000122544115	ref	4.84	-10.91	0	293.377	2.053	1	7	4	Cc1nc(NC(=O)c2ccnn2C)sc1SCC#N
230722162	ZINC000425407138	ref	4.65	-20.07	0	324.446	2.262	2	3	8	CS(=O)(=O)CCCCNC(=O)N[C@@H](c1ccccc1)C1CC1
178298960	ZINC000237132236	ref	8.28	-39.57	1	357.498	1.898	2	2	6	CCc1ccc(CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1
178298962	ZINC000237126961	ref	4.11	-47.54	1	351.472	1.208	2	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH2+]C)cc1
178298965	ZINC000237127282	ref	6.17	-40.5	1	359.47	1.345	2	3	6	COc1ccccc1CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178298969	ZINC000237125674	ref	7.43	-60.19	1	358.486	1.804	2	2	6	CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@@H](C[NH3+])C2CC2)CC1
365629954	ZINC000122487746	ref	7.0	-12.38	0	290.411	2.49	1	3	4	CC[C@@H](C)N(C)C(=O)NC1CCN(c2ccccn2)CC1
365629957	ZINC000122487746	low	7.13	-35.76	1	290.411	2.49	1	2	4	CC[C@@H](C)N(C)C(=O)NC1CCN(c2cccc[nH+]2)CC1
178298971	ZINC000237129247	ref	2.36	-46.9	1	353.488	1.635	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1
365629958	ZINC000122552205	ref	8.23	-13.12	0	294.395	2.306	1	3	5	C#CCN(C(=O)NCCC(=O)OC(C)(C)C)C1CCCC1
365629963	ZINC000122558066	ref	4.71	-13.39	0	292.383	2.239	2	3	7	C=CCCOCCNC(=O)N1CCCC[C@@H]1c1ncc[nH]1
365629967	ZINC000122558066	low	5.4	-25.73	1	292.383	2.239	2	2	7	C=CCCOCCNC(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1
349534132	ZINC000621489721	ref	6.41	-10.08	0	294.37	3.166	1	2	4	CC[C@@]1(C)CCN(C(=O)NCc2cc(OC)ccc2F)C1
178298952	ZINC000301708456	ref	9.99	-7.42	0	240.35	3.635	0	2	1	Cc1cc2ccccc2nc1N1C[C@@H](C)[C@H](C)C1
136228973	ZINC000290997925	ref	9.07	-10.21	0	239.318	2.389	0	1	2	C#Cc1ccccc1CC(=O)N1CCC=C(C)C1
178298955	ZINC000301708456	low	10.38	-21.37	1	240.35	3.635	0	1	1	Cc1cc2ccccc2[nH+]c1N1C[C@@H](C)[C@H](C)C1
178298961	ZINC000071482521	ref	6.59	-5.87	0	236.112	3.614	0	1	0	Cc1cc2ccnc(Br)c2cc1C
178298967	ZINC000133216374	ref	8.47	-6.45	0	224.307	3.674	1	2	2	Cc1cc2ccccc2nc1NC1CC=CC1
214181717	ZINC000293531366	ref	1.99	-13.36	0	350.394	0.862	1	7	8	COCCn1nnc2c1CCN(C[C@H](O)COc1ccc(F)cc1)C2
178298972	ZINC000133216374	low	8.78	-23.8	1	224.307	3.674	1	1	2	Cc1cc2ccccc2[nH+]c1NC1CC=CC1
178298977	ZINC000090281621	ref	0.83	-9.31	0	232.283	1.308	3	4	4	Cc1cc2ccccc2nc1NC[C@H](O)CO
214181721	ZINC000293531366	low	4.19	-58.82	1	350.394	0.862	2	6	8	COCCn1nnc2c1CC[N@H+](C[C@H](O)COc1ccc(F)cc1)C2
214181727	ZINC000293531366	low	4.25	-55.41	1	350.394	0.862	2	6	8	COCCn1nnc2c1CC[N@@H+](C[C@H](O)COc1ccc(F)cc1)C2
214181732	ZINC000293526245	ref	3.79	-11.16	0	350.371	0.805	1	6	6	CCOC1CN(C(=O)C(=O)Nc2cc(COC)cc(C(=O)OC)c2)C1
214181737	ZINC000293539799	ref	-0.71	-9.08	0	351.403	0.713	3	6	7	COCCOc1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)cn1
178298984	ZINC000090281621	low	1.16	-29.0	1	232.283	1.308	3	3	4	Cc1cc2ccccc2[nH+]c1NC[C@H](O)CO
178298988	ZINC000008702174	ref	7.78	-47.02	-1	203.241	2.595	0	3	2	Cc1cc2ccccc2n1[C@@H](C)C(=O)[O-]
178298994	ZINC000001395230	ref	8.87	-8.22	0	219.287	4.21	0	1	1	Cc1cc2ccccc2nc1-c1ccccc1
178299003	ZINC000063106143	ref	8.05	-6.84	0	212.296	3.364	1	2	2	Cc1cc2ccccc2nc1N[C@H]1C[C@@H]1C
178299007	ZINC000063106143	low	8.34	-22.86	1	212.296	3.364	1	1	2	Cc1cc2ccccc2[nH+]c1N[C@H]1C[C@@H]1C
214181742	ZINC000293527531	ref	0.17	-20.05	0	363.383	0.494	0	6	6	CCN(CCS(C)(=O)=O)S(=O)(=O)c1cn(C)nc1C(F)(F)F
365629968	ZINC000623060274	ref	7.68	-46.1	1	303.41	1.154	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1
178299011	ZINC000000006118	ref	8.42	-11.33	0	230.311	2.751	0	3	3	Cc1cc2cccnc2n(CCC(C)C)c1=O
178299016	ZINC000104287249	ref	9.04	-9.49	0	225.295	2.732	0	3	2	Cc1cc2ccccc2n1Cc1nccn1C
178299022	ZINC000104287249	low	9.28	-35.41	1	225.295	2.732	0	2	2	Cc1cc2ccccc2n1Cc1[nH+]ccn1C
342087087	ZINC000609029593	low	6.35	-46.93	1	279.299	1.857	0	3	3	N#Cc1ccc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)cc1
282121623	ZINC000192699620	high	4.97	-11.89	0	313.423	2.039	2	6	8	CCC(CC)(CN[C@H](C)C(=O)Nc1nccs1)C(=O)OC
342087088	ZINC000625364695	ref	0.43	-16.06	0	277.299	1.788	1	4	6	CCN(CC(N)=O)Cc1coc(-c2ccccc2F)n1
342087089	ZINC000625364566	ref	4.69	-9.93	0	292.445	1.71	0	3	5	COCCN(C)S(=O)(=O)N1CC(C)(C)CCC1(C)C
365629969	ZINC000122603802	ref	6.21	-8.13	0	254.374	2.411	1	2	6	C=CCCOCCNC(=O)N1CCCC(C)(C)C1
365629975	ZINC000122641806	ref	6.74	-12.04	0	277.274	2.291	0	3	1	Cn1nccc1C(=O)N1CCCc2cc(F)cc(F)c21
342087090	ZINC000609029369	ref	5.02	-8.6	0	296.327	1.521	1	5	5	CCO[C@@H]1CCCN(C(=O)c2[nH]nc(CC)c2[N+](=O)[O-])C1
342087091	ZINC000609029369	mid	5.57	-15.71	0	296.327	1.521	1	5	5	CCO[C@@H]1CCCN(C(=O)c2n[nH]c(CC)c2[N+](=O)[O-])C1
365639027	ZINC000175990990	mid	6.66	-9.33	0	208.265	1.632	2	3	3	CCC1(C(=O)Nc2nnc(C)[nH]2)CCC1
365639032	ZINC000175990990	low	6.17	-8.3	0	208.265	1.632	2	3	3	CCC1(C(=O)Nc2nc(C)n[nH]2)CCC1
342087092	ZINC000609029423	ref	3.05	-16.0	0	250.208	1.754	2	3	3	N#CCNC(=O)c1ccc2[nH]c(C(F)F)nc2c1
365639036	ZINC000576606530	ref	1.81	-11.19	0	217.228	1.617	3	2	2	O=C(Nc1cccc2[nH]c(=O)[nH]c12)C1CC1
342087093	ZINC000625364786	ref	2.92	-9.91	0	257.277	1.824	1	2	5	O=S(=O)(CCC(F)(F)F)NCC1CC=CC1
342087094	ZINC000609028963	ref	4.55	-10.01	0	289.247	1.486	0	6	4	O=C(c1ccc([N+](=O)[O-])o1)N1CC(Oc2ccncc2)C1
432002713	ZINC000129169200	ref	6.88	-10.72	0	317.389	3.299	2	4	6	C=CCNc1ncc(C(=O)NC2(c3cccc(F)c3)CC2)s1
230722186	ZINC000414266025	ref	7.94	-35.39	1	304.482	3.029	2	3	7	CCc1ncc(CNC[C@@H](C(C)C)[NH+]2CCCCCC2)cn1
432002715	ZINC000129200637	ref	9.86	-11.67	0	303.431	3.465	0	4	5	CC[C@H](C)N(C)C(=O)c1ccc(-n2ccnc2SC)cc1
365639056	ZINC000576605943	ref	2.54	-10.71	0	246.261	1.357	2	3	5	CCn1ccc(CNC(=O)NCC(C)(F)F)n1
178305746	ZINC000223769154	ref	6.9	-7.86	0	215.3	3.042	1	3	1	Cc1cc2ncn(C3CCCC3)c2cc1N
365639064	ZINC000576618299	ref	8.83	-38.1	1	248.414	3.817	1	1	8	CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)Cc1ccncc1
342087095	ZINC000609028963	low	5.0	-41.61	1	289.247	1.486	0	5	4	O=C(c1ccc([N+](=O)[O-])o1)N1CC(Oc2cc[nH+]cc2)C1
133428242	ZINC000306490795	ref	2.53	-8.42	0	177.207	0.965	2	2	2	Cc1[nH]ccc1C(=O)N[C@@H](C)C#N
365639072	ZINC000576605970	ref	5.49	-12.41	0	242.282	1.176	0	4	2	Cc1ncccc1CC(=O)N1CCn2nccc21
214181735	ZINC000278481200	ref	9.01	-40.46	1	316.405	2.849	3	4	5	O=[N+]([O-])c1ccc2c(c1NC1CC[NH+](CC3CC3)CC1)CCN2
342087096	ZINC000622702092	ref	2.95	-16.2	0	276.336	1.26	2	3	5	CCOc1cc(C(=O)NC[C@@H]2CNC(=O)C2)ccc1C
342087097	ZINC000609029274	ref	7.25	-20.62	0	299.286	1.893	0	5	4	O=C(c1ccccc1[N+](=O)[O-])N1CC(Oc2ccncc2)C1
342087098	ZINC000609029274	low	7.71	-50.24	1	299.286	1.893	0	4	4	O=C(c1ccccc1[N+](=O)[O-])N1CC(Oc2cc[nH+]cc2)C1
349534133	ZINC000594967881	mid	5.59	-7.71	0	254.337	2.615	2	3	4	Cc1c[nH]nc1CNC(C)(C)c1cccc(C#N)c1
282121624	ZINC000248968518	low	5.87	-39.36	1	306.406	1.974	3	3	6	CCc1c(C(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)[nH]c(C)c1C(C)=O
342087099	ZINC000622702089	ref	2.83	-17.99	0	294.326	1.019	2	3	6	COc1cccc(CCC(=O)NC[C@H]2CNC(=O)C2)c1F
398247970	ZINC000649442433	low	5.49	-31.74	1	246.335	2.647	0	3	2	c1cc(-c2ccsc2)cc(N2CCOCC2)[nH+]1
214181751	ZINC000278481895	ref	4.22	-10.77	0	315.316	2.451	1	4	5	COc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)ccc1OC(F)F
365629970	ZINC000354697710	ref	4.01	-9.18	0	294.399	1.68	1	4	7	CN(CC[NH+](C)C)C(=O)CCc1nc(C2CCCC2)no1
214181756	ZINC000278481162	ref	6.49	-12.85	0	317.393	1.732	1	6	3	Cc1cc(N2CCC[C@H](NC(=O)c3c(C)noc3C)C2)n(C)n1
282121627	ZINC000248968660	ref	3.94	-9.67	0	309.406	1.464	2	4	8	COc1ccc(C[C@H](C)C(=O)N(C[C@H](C)O)[C@H](C)CO)cc1
342087100	ZINC000625364665	ref	4.65	-10.18	0	264.329	1.112	0	5	4	CN(C[C@H]1CCCOC1)C(=O)c1cn(C2CC2)nn1
214181761	ZINC000278482511	ref	5.73	-13.45	0	302.374	3.305	1	4	6	COc1cccc2c(NC(=O)CCOC(C)C)c(C)cnc12
214181766	ZINC000278480526	ref	6.36	-36.02	1	316.445	2.663	1	3	4	Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CC1(N2CCOCC2)CC1
214181771	ZINC000278481333	ref	5.63	-11.86	0	321.421	2.368	1	4	6	COCC[C@H](C)NC(=O)N1CCC(Oc2ccncc2C)CC1
214181774	ZINC000278481333	mid	6.09	-42.15	1	321.421	2.368	1	3	6	COCC[C@H](C)NC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1
214181778	ZINC000278481915	ref	7.98	-37.82	1	312.404	3.116	2	2	6	C[C@H]1C[N@H+](CCCN[C@@H](C)c2ccc(F)cc2F)CCCO1
342087101	ZINC000625365392	ref	5.11	-7.97	0	278.352	1.956	1	3	6	C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1ccco1
342087102	ZINC000625365548	ref	5.12	-13.07	0	271.748	1.572	0	4	3	CN(C[C@H]1CCCOC1)C(=O)c1nn(C)cc1Cl
342087103	ZINC000625365200	ref	4.88	-34.18	1	266.385	1.606	3	3	7	CCn1ccc(C[N@H+](C)C[C@@H](O)CC2(O)CCC2)c1
349534136	ZINC000093229273	ref	6.06	-50.21	-1	266.297	0.929	1	4	7	CN(Cc1ccccc1)C(=O)NCCOCC(=O)[O-]
342087104	ZINC000625365200	mid	4.84	-34.17	1	266.385	1.606	3	3	7	CCn1ccc(C[N@@H+](C)C[C@@H](O)CC2(O)CCC2)c1
342087105	ZINC000625365200	high	2.55	-7.34	0	266.385	1.606	2	4	7	CCn1ccc(CN(C)C[C@@H](O)CC2(O)CCC2)c1
342087106	ZINC000048394847	ref	7.04	-42.9	1	298.39	1.984	3	2	4	N#Cc1cccc(CNC(=O)NC2CC[NH+](C3CC3)CC2)c1
349534143	ZINC000093232048	ref	2.58	-52.09	1	252.27	0.387	2	4	6	COC(=O)c1cccc(NC(=O)COCC[NH3+])c1
342087107	ZINC000048394847	high	5.08	-10.9	0	298.39	1.984	2	3	4	N#Cc1cccc(CNC(=O)NC2CCN(C3CC3)CC2)c1
365629971	ZINC000623059144	ref	5.88	-45.44	1	307.785	1.473	2	4	5	C[NH2+]C[C@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365629973	ZINC000623061322	ref	2.98	-49.27	1	304.213	1.857	1	3	1	C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ncc(Br)s1
365629976	ZINC000623060038	ref	4.96	-45.69	1	316.224	1.872	1	3	1	O=C(c1ncc(Br)s1)N1C[C@@H]2CCC[C@H](C1)[NH2+]2
349534146	ZINC000093233984	ref	3.18	-13.53	0	279.34	0.754	1	5	7	COC(=O)CCNC(=O)CN(C)[C@H](C)c1cccnc1
349534154	ZINC000093233984	low	5.19	-49.78	1	279.34	0.754	2	4	7	COC(=O)CCNC(=O)C[N@H+](C)[C@H](C)c1cccnc1
349534158	ZINC000093233984	low	5.19	-45.75	1	279.34	0.754	2	4	7	COC(=O)CCNC(=O)C[N@@H+](C)[C@H](C)c1cccnc1
365629978	ZINC000623060038	mid	3.77	-4.67	0	316.224	1.872	1	4	1	O=C(c1ncc(Br)s1)N1C[C@@H]2CCC[C@H](C1)N2
190493031	ZINC000269414969	ref	3.15	-11.15	0	284.381	2.036	1	5	5	CO[C@H](C)c1nc(CNC(=O)[C@@H]2CCCCO2)cs1
349534161	ZINC000093237397	ref	0.29	-11.59	0	254.334	0.41	3	4	6	CCc1nn(C)cc1CNC(=O)NC[C@@H](C)CO
192037531	ZINC000418463035	ref	0.62	-39.75	1	243.351	0.669	3	2	5	CCCC[C@H](C[NH3+])NC(=O)N1C[C@H](O)C[C@H]1C
365629980	ZINC000623060618	ref	3.72	-54.98	1	313.361	1.954	2	4	2	O=C(Nc1ccc(-c2ncon2)cc1)N1CC[C@]2(CC[NH2+]C2)C1
185087219	ZINC000096071024	ref	6.66	-12.97	0	280.397	1.765	0	5	2	CC(C)C(=O)N1CCC[C@@]12CCN(c1nncs1)C2
342087108	ZINC000625364610	ref	-1.03	-9.28	0	267.31	1.939	1	6	4	COc1nc(C(=O)N[C@@H](C)c2csc(C)n2)co1
342087109	ZINC000625364642	ref	2.63	-13.25	0	281.381	1.543	2	4	4	Cc1nc([C@H](C)NC(=O)[C@@H](C)[C@H]2CCC(=O)N2)cs1
365629982	ZINC000623060865	ref	4.26	-37.5	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1
342087110	ZINC000625365127	ref	2.87	-10.06	0	259.371	1.441	1	3	6	O=S(=O)(CC[C@H]1CCCO1)NCC1CC=CC1
342087111	ZINC000625365861	ref	4.53	-8.91	0	296.367	1.559	1	4	8	CCC[C@H](CNC(=O)C(=O)N(C)Cc1ccco1)OCC
365629972	ZINC000354697710	high	4.01	-9.18	0	294.399	1.68	0	5	7	CN(C)CCN(C)C(=O)CCc1nc(C2CCCC2)no1
365629974	ZINC000354697678	ref	4.27	-22.71	0	295.404	1.71	1	3	5	Cc1ccc(OCCC(=O)N[C@H]2CC[S@](=O)C2)cc1C
365629977	ZINC000354696977	ref	5.43	-15.44	0	276.271	1.556	1	5	5	Cn1cc(C(=O)CCC(=O)Nc2ccc(F)cn2)cn1
342594214	ZINC000616960025	ref	3.55	-20.28	0	298.264	1.212	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1
365629979	ZINC000354697725	ref	2.33	-26.53	0	299.417	1.065	1	3	4	CC[S@](=O)c1ccccc1C(=O)N[C@@H]1CC[S@@](=O)C1
290622213	ZINC000288433271	ref	7.31	-11.41	0	322.408	3.399	1	2	3	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(C(N)=O)cc2)C1
342594215	ZINC000616960038	ref	3.07	-20.63	0	282.727	1.112	2	3	4	C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCNC1=O
178298976	ZINC000237130876	ref	2.7	-57.63	1	361.467	1.723	3	3	7	CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]([NH3+])c2ccccc2)c1
342594216	ZINC000590777680	ref	4.53	-11.9	0	290.323	1.705	1	7	6	CCn1nncc1CNc1cc(OC)ccc1C(=O)OC
342594217	ZINC000616956019	ref	2.58	-10.88	0	295.383	1.297	1	5	9	CCCn1nccc1C(=O)N(CCOCCO)C1CCC1
365629981	ZINC000639790749	ref	7.95	-52.35	1	292.383	1.252	2	3	1	Cc1ccn(C)c(=O)c1NC(=O)N1CC[N@H+](C)C(C)(C)C1
365629983	ZINC000639790749	mid	7.95	-53.2	1	292.383	1.252	2	3	1	Cc1ccn(C)c(=O)c1NC(=O)N1CC[N@@H+](C)C(C)(C)C1
365629985	ZINC000639790749	mid	5.77	-21.78	0	292.383	1.252	1	4	1	Cc1ccn(C)c(=O)c1NC(=O)N1CCN(C)C(C)(C)C1
178298979	ZINC000237130876	high	2.35	-12.5	0	361.467	1.723	3	4	7	CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@H](N)c2ccccc2)c1
299072098	ZINC000358088122	mid	3.19	-44.53	1	301.456	1.05	4	3	6	CSC[C@](C)(O)CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1
365629987	ZINC000367180078	ref	2.93	-9.86	0	270.26	1.019	0	5	3	CCOC(=O)C1(F)CN(C(=O)c2oc(C)nc2C)C1
365629990	ZINC000354696630	ref	3.07	-45.2	1	297.305	1.162	3	2	5	O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1F
365629992	ZINC000354696492	ref	5.46	-11.43	0	298.383	1.54	1	4	5	CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@@]12CCOC2
365639743	ZINC000576607308	ref	4.06	-12.68	0	242.344	2.22	2	3	6	CC(C)NC(=O)NCCSCc1ccco1
342594218	ZINC000590778243	ref	5.59	-7.5	0	265.357	1.727	1	5	5	C[C@@H](Cc1cnccn1)N[C@H](C)C(=O)OC(C)(C)C
342594219	ZINC000590778243	low	6.27	-35.47	1	265.357	1.727	1	4	5	C[C@@H](Cc1cnccn1)[NH2+][C@H](C)C(=O)OC(C)(C)C
342594220	ZINC000616956224	ref	3.87	-9.87	0	295.383	1.224	1	5	9	C[C@H](CC(=O)N(CCOCCO)C1CCC1)n1cccn1
178298982	ZINC000237132298	ref	8.27	-39.69	1	357.498	1.898	2	2	6	CCc1ccc(CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1
178298986	ZINC000237134718	ref	8.29	-59.9	-1	357.41	1.862	0	6	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C1
190493033	ZINC000269419324	ref	9.63	-10.51	0	270.376	2.674	1	1	6	C#CCN(CC)C(=O)NCC1(Cc2ccccc2)CC1
365629984	ZINC000623060928	ref	6.51	-47.11	1	305.769	1.179	1	4	3	CN(C(=O)c1nc(-c2ccc(Cl)cc2)nn1C)C1C[NH2+]C1
365629986	ZINC000623059232	ref	0.69	-49.59	1	306.391	1.534	2	5	3	C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)c1nc2cccnc2s1
178298990	ZINC000237129353	ref	2.4	-46.76	1	353.488	1.635	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1
282121625	ZINC000533466669	ref	9.85	-16.49	0	264.358	1.596	0	7	5	CCn1c(SCc2nncn2C)nnc1C1CC1
178298992	ZINC000237127520	ref	3.83	-55.14	1	351.472	1.207	2	3	5	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1
178298996	ZINC000237127520	high	2.58	-13.06	0	351.472	1.207	2	4	5	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1
282121634	ZINC000533465848	ref	2.95	-14.87	0	294.38	1.68	2	5	4	CSc1nn(C)c(NC(=O)C2=C(C)CCC2)c1C(N)=O
178298998	ZINC000237136685	ref	4.96	-54.3	1	369.425	1.446	2	6	8	C[NH2+]CCNC(=O)c1cnc2c(cnn2Cc2ccc(OC)cc2OC)c1
398247972	ZINC000650868829	ref	1.62	-11.25	0	266.341	1.866	3	3	5	C[C@@H](CCO)N(C)C(=O)N[C@H](C)c1cccc(O)c1
214181743	ZINC000053399884	ref	5.87	-41.8	1	336.295	3.118	2	3	6	C[N@@H+](Cc1ccc(Br)s1)C[C@H](O)COC(C)(C)C
214181746	ZINC000053399884	mid	5.88	-42.32	1	336.295	3.118	2	3	6	C[N@H+](Cc1ccc(Br)s1)C[C@H](O)COC(C)(C)C
282121641	ZINC000533467048	ref	3.47	-9.94	0	253.302	1.03	2	4	2	Cc1cc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)no1
178299001	ZINC000237128430	ref	3.16	-62.27	1	365.499	1.632	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1
178299004	ZINC000237128578	ref	1.84	-61.82	1	351.472	1.242	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1
214181750	ZINC000053399884	mid	3.45	-5.87	0	336.295	3.118	1	4	6	CN(Cc1ccc(Br)s1)C[C@H](O)COC(C)(C)C
282121649	ZINC000533467311	ref	5.45	-14.6	0	288.355	1.325	2	4	4	CN(Cc1cc[nH]n1)C(=O)NC[C@H]1CCCn2ccnc21
398247976	ZINC000650868484	ref	1.37	-12.97	0	294.351	1.244	3	4	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@H](C)c1cccc(O)c1
349534137	ZINC000594967881	mid	6.68	-44.76	1	254.337	2.615	2	2	4	Cc1c[nH]nc1C[NH2+]C(C)(C)c1cccc(C#N)c1
343994911	ZINC000248564804	ref	5.2	-51.36	1	262.353	1.96	1	2	2	CCc1cc(C)c(C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)o1
230722198	ZINC000414266647	ref	9.52	-15.11	0	319.771	3.158	1	5	5	CC[C@H](NCc1nc2ncccn2n1)c1cccc(Cl)c1F
365629988	ZINC000623059232	high	-1.11	-12.3	0	306.391	1.534	2	6	3	C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)c1nc2cccnc2s1
365629989	ZINC000623061210	ref	4.3	-47.28	1	310.329	1.527	1	4	3	CN(C(=O)c1nnc(-c2c(F)cccc2F)s1)C1C[NH2+]C1
214181748	ZINC000293535336	ref	6.39	-23.59	0	369.429	0.938	1	7	6	CC(C)n1cnnc1CN(C)C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1
214181753	ZINC000293537092	ref	7.8	-55.11	1	361.486	0.991	2	3	8	CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C
214181757	ZINC000293537092	mid	8.04	-54.31	1	361.486	0.991	2	3	8	CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C
365629991	ZINC000623060106	ref	7.6	-85.46	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1
365629993	ZINC000623060106	high	5.13	-39.42	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)c1
365629994	ZINC000623060128	ref	2.61	-58.07	1	323.418	1.307	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1
365629996	ZINC000623059229	ref	4.77	-45.98	1	313.199	1.537	1	3	5	CN(CCC[NH3+])C(=O)c1nc(C2CC2)ncc1Br
230722214	ZINC000414266584	ref	9.24	-15.7	0	319.771	3.158	1	5	5	CC[C@@H](NCc1nc2ncccn2n1)c1cccc(Cl)c1F
365629998	ZINC000623061094	ref	7.56	-38.5	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1
365630000	ZINC000623060108	ref	7.46	-84.18	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1
365639753	ZINC000576614829	ref	6.86	-44.94	1	242.326	1.592	1	3	1	Cc1ccc(N2C[C@@H]3CCC[C@H](C2)[NH2+]3)nc1C#N
282121626	ZINC000151634516	ref	6.33	-19.01	0	312.454	2.487	1	3	6	CC(C)NC(=O)CCCC(=O)N1CCC(OC(C)(C)C)CC1
342087112	ZINC000622702107	ref	4.08	-17.64	0	276.336	1.34	2	3	5	CC(C)Oc1ccccc1C(=O)NC[C@H]1CNC(=O)C1
197590442	ZINC000162764468	ref	6.89	-10.49	0	304.434	2.791	2	2	3	Cc1cc(C)cc(C[C@H](C)NC(=O)N2CCC[C@@](C)(O)C2)c1
342087113	ZINC000069104358	ref	0.38	-11.66	0	289.353	1.017	1	5	7	COC[C@H](C)NS(=O)(=O)c1cc(OC)ccc1OC
342087114	ZINC000625364967	ref	8.1	-39.33	1	288.395	1.547	1	4	8	COC[C@@H](Cc1ccccc1)[N@H+](C)CCc1cn(C)nn1
342087115	ZINC000625364967	mid	7.74	-40.76	1	288.395	1.547	1	4	8	COC[C@@H](Cc1ccccc1)[N@@H+](C)CCc1cn(C)nn1
342594221	ZINC000616956061	ref	4.41	-9.77	0	294.395	1.971	2	3	9	CCCc1[nH]ccc1C(=O)N(CCOCCO)C1CCC1
214181754	ZINC000053397134	ref	4.96	-16.02	0	347.444	1.356	2	6	7	CCn1c(SCC(=O)N[C@@H](C)C(N)=O)nnc1-c1cccc(C)c1
342594222	ZINC000590777926	ref	1.79	-9.02	0	276.321	1.626	1	6	5	NC(=O)c1ccc(-c2noc(CSC3CC3)n2)cn1
214181758	ZINC000053400790	ref	8.76	-12.0	0	346.814	3.551	0	4	2	Cc1cc([C@@H]2CCCN2C(=O)[C@H]2COc3ccc(Cl)cc3C2)on1
214181763	ZINC000053409840	ref	7.66	-13.97	0	325.343	3.149	1	4	5	Cn1cc(CNC(=O)/C=C/c2ccc(-c3ccccc3F)o2)cn1
398247975	ZINC000649442416	ref	5.72	-8.42	0	243.31	2.579	0	4	4	Cc1c(-c2cccnc2OCC2CC2)cnn1C
398247978	ZINC000649442365	ref	8.08	-10.33	0	240.306	2.453	0	3	1	Cc1nn(C)cc1-c1ccc2c(c1)CCC(=O)C2
342594223	ZINC000590778285	ref	4.72	-8.17	0	265.357	1.727	1	5	5	C[C@H](N[C@H](C)Cc1cnccn1)C(=O)OC(C)(C)C
214181775	ZINC000053396483	ref	3.33	-9.33	0	349.475	1.334	3	3	6	CC(C)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)N[C@H](C)C(N)=O
214181780	ZINC000053398021	ref	8.13	-18.8	0	337.387	1.484	2	7	7	Cc1nccn1-c1cc(CNC(=O)CCNc2ncccn2)ccn1
214181784	ZINC000053398021	mid	8.6	-40.12	1	337.387	1.484	2	6	7	Cc1[nH+]ccn1-c1cc(CNC(=O)CCNc2ncccn2)ccn1
361823180	ZINC000136377406	ref	4.1	-45.61	1	277.368	1.019	2	3	5	C[NH+](C)Cc1cccc(NC(=O)CN2CCOCC2)c1
214181788	ZINC000053402000	ref	3.43	-12.18	0	340.851	1.989	2	4	9	C[C@@H](OC[C@@H](O)CN(C)CC(=O)NC1CC1)c1ccc(Cl)cc1
214181795	ZINC000053402000	mid	5.71	-46.7	1	340.851	1.989	3	3	9	C[C@@H](OC[C@@H](O)C[N@H+](C)CC(=O)NC1CC1)c1ccc(Cl)cc1
214181798	ZINC000053402000	mid	5.69	-44.42	1	340.851	1.989	3	3	9	C[C@@H](OC[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1)c1ccc(Cl)cc1
214181800	ZINC000053398586	ref	7.6	-11.35	0	327.38	2.276	1	5	6	COC(=O)c1ccc(OC[C@@H](O)CN2CCc3ccccc32)cc1
214181805	ZINC000053405366	ref	7.8	-45.12	1	332.444	2.585	2	3	5	C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc3c(c2)OCO3)C1
214181809	ZINC000053405366	mid	7.84	-43.88	1	332.444	2.585	2	3	5	C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc3c(c2)OCO3)C1
214181813	ZINC000053400718	ref	5.19	-13.84	0	332.36	1.163	0	7	5	COCCn1nc(C(=O)N2CCC[C@@H]2c2cc(C)no2)ccc1=O
342594224	ZINC000590778285	low	5.5	-38.51	1	265.357	1.727	1	4	5	C[C@H]([NH2+][C@H](C)Cc1cnccn1)C(=O)OC(C)(C)C
282121628	ZINC000192701958	ref	8.33	-8.57	0	307.39	2.47	1	5	8	CCC(CC)(CN[C@H](C(=O)OC)c1ccccc1)C(=O)OC
365629995	ZINC000354696330	ref	3.06	-44.96	1	297.424	1.637	1	5	4	C[C@@H]1C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)s2)CCO1
365629997	ZINC000354696489	ref	5.46	-11.48	0	298.383	1.54	1	4	5	CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@@]12CCOC2
365629999	ZINC000354696333	ref	3.34	-45.29	1	297.424	1.637	1	5	4	C[C@H]1C[C@@H]([NH2+]Cc2cnc(N3CCOCC3)s2)CCO1
365630001	ZINC000354695979	ref	3.86	-7.24	0	255.358	1.877	1	3	4	CO[C@@H]1CCC[C@H](CC(=O)NC2CCOCC2)C1
230722216	ZINC000425406062	ref	3.81	-17.35	0	305.758	2.43	1	3	3	C[C@]1(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)C[C@H]1F
342087116	ZINC000625364967	high	6.22	-9.79	0	288.395	1.547	0	5	8	COC[C@@H](Cc1ccccc1)N(C)CCc1cn(C)nn1
342087117	ZINC000625365912	ref	1.37	-10.08	0	294.156	1.52	1	4	2	Brc1cnccc1CN1CCc2nn[nH]c2C1
342087118	ZINC000625365912	mid	1.36	-8.78	0	294.156	1.52	1	4	2	Brc1cnccc1CN1CCc2n[nH]nc2C1
365630003	ZINC000354697727	ref	2.35	-23.52	0	299.417	1.065	1	3	4	CC[S@](=O)c1ccccc1C(=O)N[C@H]1CC[S@@](=O)C1
214181760	ZINC000293537092	high	6.53	-20.59	0	361.486	0.991	1	4	8	CC(=O)N(CCc1ccccc1)CC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C
365630005	ZINC000354696851	ref	4.4	-5.87	0	283.368	1.241	2	4	6	COC(=O)[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@@H](C)O
282121635	ZINC000447890475	ref	2.63	-55.21	1	348.465	0.247	2	5	8	CCC(CC)(C[NH2+][C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC
282121639	ZINC000447890475	high	1.59	-16.88	0	348.465	0.247	2	6	8	CCC(CC)(CN[C@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC
282121645	ZINC000340488697	ref	6.95	-37.09	1	271.401	2.513	1	3	7	CCC(CC)(C[NH2+][C@H](C)[C@@]1(C)CCCO1)C(=O)OC
365630007	ZINC000354697726	ref	2.26	-27.0	0	299.417	1.065	1	3	4	CC[S@](=O)c1ccccc1C(=O)N[C@H]1CC[S@](=O)C1
365630011	ZINC000354696806	ref	5.22	-13.47	0	262.334	1.994	2	4	4	Cc1cnc(NC(=O)[C@@H](O)Cc2ccccc2)s1
365630014	ZINC000367180127	ref	6.8	-13.44	0	290.338	1.562	0	2	2	CN1C[C@H](C(=O)N2CC[C@@](F)(c3ccccc3)C2)CC1=O
185087221	ZINC000096071459	ref	7.53	-27.51	1	271.408	2.698	1	2	4	C=CC[N@@H+]1CCC[C@]12CCCN(Cc1ccccn1)C2
365630016	ZINC000354696904	ref	5.13	-12.68	0	267.373	1.841	1	4	9	CCOC[C@H](NC(=O)CCCn1cccn1)C(C)C
365630019	ZINC000354697195	ref	3.53	-12.31	0	291.395	1.414	2	4	2	CNc1ccc(C(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)cn1
343994912	ZINC000139470964	ref	3.01	-48.47	-1	168.152	1.342	1	4	2	CNc1ccc([N+](=O)[O-])c([O-])c1
230722223	ZINC000450356390	ref	2.48	-10.89	0	312.167	1.183	2	5	5	OCCN(CCO)c1ncnc2cc(Br)ccc12
365630002	ZINC000623060108	high	4.99	-38.03	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1
230722229	ZINC000450358839	ref	10.22	-13.33	0	315.377	1.637	0	7	3	COC(=O)[C@H]1CCCN(c2ccc3nnc([C@H]4C[C@@H]4C)n3n2)C1
365630004	ZINC000623060105	ref	7.34	-87.07	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1
282121629	ZINC000449151534	ref	6.39	-38.72	1	270.417	2.036	1	2	6	CCC[NH2+][C@H](C)C(=O)N(C)[C@H]1C[C@@](C)(OC)C1(C)C
199272971	ZINC000294963541	ref	5.43	-45.86	1	283.755	1.916	2	3	6	COC(=O)C1(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)CC1
342594225	ZINC000616956109	ref	4.94	-9.02	0	292.379	1.702	1	4	7	Cc1ccc(C(=O)N(CCOCCO)C2CCC2)nc1C
282121638	ZINC000449151951	ref	4.49	-10.56	0	297.358	2.347	2	4	3	C[C@H](NC(=O)c1ccc(N)cn1)[C@H]1Oc2ccccc2[C@@H]1C
365630006	ZINC000623060105	high	4.87	-42.56	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1
342594226	ZINC000616956732	ref	3.01	-21.72	0	292.335	1.102	2	4	6	CCCOc1ccc(C(=O)N[C@@H]2CCNC2=O)c(OC)c1
187168600	ZINC000125077246	mid	0.05	-10.23	0	279.34	0.085	3	4	7	CCOc1cc(C)ccc1CNC(=O)CNC(=O)CN
342594227	ZINC000616956039	ref	5.02	-8.21	0	267.369	1.567	1	3	7	O=C(N(CCOCCO)C1CCC1)[C@]12CCC[C@H]1C2
342594228	ZINC000616956696	ref	2.83	-18.16	0	275.352	1.386	2	3	4	CCc1nc(C(C)C)ccc1C(=O)N[C@@H]1CCNC1=O
365630008	ZINC000623059267	ref	3.68	-56.67	1	315.377	1.887	4	3	5	C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
342594229	ZINC000590778286	ref	5.38	-8.01	0	265.357	1.727	1	5	5	C[C@@H](Cc1cnccn1)N[C@@H](C)C(=O)OC(C)(C)C
365630010	ZINC000623059267	high	2.58	-82.86	0	315.377	1.887	3	3	5	C[NH2+]C[C@@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
365630012	ZINC000623060549	ref	4.0	-46.02	1	316.224	1.731	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@]2(CC[NH2+]C2)C1
365630015	ZINC000623060866	ref	4.14	-37.81	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1
342594230	ZINC000590778286	low	6.36	-34.22	1	265.357	1.727	1	4	5	C[C@@H](Cc1cnccn1)[NH2+][C@@H](C)C(=O)OC(C)(C)C
199272973	ZINC000294963541	high	4.42	-9.16	0	283.755	1.916	2	4	6	COC(=O)C1(CN[C@@H](CO)c2ccc(Cl)cc2)CC1
342594231	ZINC000616960028	ref	2.98	-17.2	0	287.146	1.541	2	2	3	O=C(Cc1cccc(Cl)c1Cl)N[C@@H]1CCNC1=O
343994914	ZINC000139470964	mid	2.03	-10.06	0	168.152	1.342	2	4	2	CNc1ccc([N+](=O)[O-])c(O)c1
214181765	ZINC000293536905	ref	3.14	-12.23	0	350.371	0.433	2	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1)OC
168364522	ZINC000368499123	high	7.57	-9.38	0	328.387	3.233	2	3	5	O=C1CC[C@@H](NCc2ccc(-c3ccc(F)cc3)o2)[C@@H](C2CC2)N1
214181768	ZINC000293532983	ref	-1.25	-15.08	0	357.354	0.505	2	6	5	Cn1cc(S(=O)(=O)NC[C@@H](O)C2CCOCC2)c(C(F)(F)F)n1
342087119	ZINC000625365912	mid	4.33	-52.38	1	294.156	1.52	2	3	2	Brc1cnccc1C[N@@H+]1CCc2nn[nH]c2C1
342087120	ZINC000625365912	mid	4.35	-52.16	1	294.156	1.52	2	3	2	Brc1cnccc1C[N@H+]1CCc2nn[nH]c2C1
342087121	ZINC000625365912	low	4.29	-45.82	1	294.156	1.52	2	3	2	Brc1cnccc1C[N@@H+]1CCc2n[nH]nc2C1
342087122	ZINC000625365912	low	4.33	-45.67	1	294.156	1.52	2	3	2	Brc1cnccc1C[N@H+]1CCc2n[nH]nc2C1
214181772	ZINC000293532983	mid	-1.76	-44.74	-1	357.354	0.505	1	6	5	Cn1cc(S(=O)(=O)[N-]C[C@@H](O)C2CCOCC2)c(C(F)(F)F)n1
342087123	ZINC000625364966	ref	7.76	-41.85	1	288.395	1.547	1	4	8	COC[C@H](Cc1ccccc1)[N@H+](C)CCc1cn(C)nn1
398247977	ZINC000181788993	ref	6.87	-17.57	0	245.319	1.211	0	4	7	CCOC(=O)C[C@H](C)N(C)C(=O)[C@@H](C)OCC
342087124	ZINC000625364966	mid	7.98	-38.73	1	288.395	1.547	1	4	8	COC[C@H](Cc1ccccc1)[N@@H+](C)CCc1cn(C)nn1
214181776	ZINC000293527866	ref	4.26	-11.16	0	350.371	0.718	2	6	8	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(OCC2CC2)cc1)OC
342087125	ZINC000625364966	high	6.15	-10.09	0	288.395	1.547	0	5	8	COC[C@H](Cc1ccccc1)N(C)CCc1cn(C)nn1
214181781	ZINC000293531258	ref	1.35	-11.62	0	369.443	0.417	2	5	7	CO[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)C1CC1
342087126	ZINC000625365585	ref	7.6	-51.15	1	299.378	1.43	1	4	2	O=C(c1ccnc2ccnn12)N1CC[C@@H]([NH+]2CCCCC2)C1
342087127	ZINC000625365585	high	5.46	-15.91	0	299.378	1.43	0	5	2	O=C(c1ccnc2ccnn12)N1CC[C@@H](N2CCCCC2)C1
398247980	ZINC000356404735	ref	6.35	-32.34	1	224.348	1.191	1	2	4	CO[C@H](CN1CC[N@@H+]2CCC[C@H]2C1)C1CC1
342087128	ZINC000622702100	ref	3.26	-15.15	0	290.363	1.126	2	3	6	COc1ccc(C[C@@H](C)C(=O)NC[C@@H]2CNC(=O)C2)cc1
214181792	ZINC000293527464	ref	2.67	-14.16	0	369.443	0.713	1	6	5	CNC(=O)CC1CCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1
342087129	ZINC000625364747	ref	4.55	-10.35	0	297.424	1.789	1	4	6	CCc1nn(C)c(CC)c1S(=O)(=O)NCC1CC=CC1
349534139	ZINC000621489337	ref	6.91	-8.17	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2C[C@@H](C)CC[C@@H]2C)c1
282121630	ZINC000171063782	ref	6.91	-14.43	0	341.415	2.114	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCOc3ccccc31)CC2
342087130	ZINC000625365862	ref	4.7	-8.68	0	296.367	1.559	1	4	8	CCC[C@@H](CNC(=O)C(=O)N(C)Cc1ccco1)OCC
365630009	ZINC000576581818	ref	0.68	-63.3	1	223.276	1.162	3	2	4	Cc1cc(=O)[nH]cc1NC(=O)CC[C@@H](C)[NH3+]
365630013	ZINC000576584142	ref	4.3	-12.08	0	230.333	1.35	0	3	6	CC(C)N(CC1CC1)S(=O)(=O)CCC#N
365630018	ZINC000576582308	ref	0.83	-50.3	1	243.307	-0.957	1	3	6	COCCN1CCN(C(=O)CCC[NH3+])CC1=O
365630021	ZINC000576582290	ref	6.26	-49.07	1	246.354	2.296	1	2	4	Cc1cnccc1C[NH2+]C[C@@H]1CC12CCOCC2
342087131	ZINC000625365852	ref	3.14	-11.85	0	292.364	1.669	1	6	3	Cc1nc([C@H](C)NC(=O)c2cn3c(n2)COCC3)cs1
342087132	ZINC000625365089	ref	8.16	-42.21	1	268.401	1.746	1	2	7	CCCN1CCC[N@H+](C[C@@H](OCC)C2CC2)CC1=O
342087133	ZINC000625365089	mid	8.13	-40.7	1	268.401	1.746	1	2	7	CCCN1CCC[N@@H+](C[C@@H](OCC)C2CC2)CC1=O
197590454	ZINC000290086120	ref	1.54	-12.94	0	280.357	0.894	1	7	3	Cn1cc(C(=O)NCc2nnc(C(C)(C)C)s2)nn1
168364525	ZINC000368495570	ref	11.17	-44.62	1	344.499	3.35	1	2	5	Cc1cccc(C(=O)N2CCC[N@H+](CCCC3CCOCC3)CC2)c1
168364528	ZINC000368495570	mid	11.11	-44.94	1	344.499	3.35	1	2	5	Cc1cccc(C(=O)N2CCC[N@@H+](CCCC3CCOCC3)CC2)c1
168364530	ZINC000368495570	high	9.33	-9.83	0	344.499	3.35	0	3	5	Cc1cccc(C(=O)N2CCCN(CCCC3CCOCC3)CC2)c1
168364534	ZINC000368495511	ref	9.54	-49.35	1	339.464	3.433	2	3	4	C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccccc1
214181777	ZINC000337613314	ref	5.64	-86.02	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1
349534141	ZINC000594967881	high	5.58	-7.98	0	254.337	2.615	2	3	4	Cc1cn[nH]c1CNC(C)(C)c1cccc(C#N)c1
168365909	ZINC000012351289	ref	0.3	-40.39	1	137.186	0.366	1	2	2	C[C@@H]([NH3+])Cc1cnccn1
349534145	ZINC000594967446	ref	6.09	-50.77	1	287.375	2.744	1	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1
185087223	ZINC000096071459	mid	7.13	-27.3	1	271.408	2.698	1	2	4	C=CC[N@H+]1CCC[C@]12CCCN(Cc1ccccn1)C2
282121646	ZINC000341961193	ref	5.05	-15.26	0	347.806	1.988	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1COc3cccc(Cl)c31)CC2
365630025	ZINC000576583547	ref	1.9	-36.64	-1	241.316	0.862	0	5	4	C=C[C@@H]1OCC[C@H]1N=c1nc(COC)[n-]s1
365630029	ZINC000576582944	ref	4.54	-62.4	1	248.33	1.134	2	2	5	C=CCCCC(=O)N=c1ccn([C@@H]2CC[NH2+]C2)[nH]1
197590457	ZINC000162774183	ref	2.33	-16.73	0	322.405	1.849	3	4	6	COc1ccc(CCNC(=O)N[C@@H]2CC[C@@H](O)CC2)cc1OC
168364536	ZINC000368495511	mid	8.82	-49.84	1	339.464	3.433	2	3	4	C[N@H+]1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccccc1
365630017	ZINC000623059578	ref	4.26	-43.05	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@H]2[NH2+]CC[C@@H]2C1
282121631	ZINC000151633002	ref	9.74	-51.24	1	315.421	2.175	1	4	7	CC(C)[NH2+]CCC(=O)N(C)[C@@H](C)c1ccc(-n2cncn2)cc1
365630020	ZINC000623061260	ref	4.57	-37.77	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@@H]2CC[NH2+][C@@H]2C1
365630022	ZINC000623059342	ref	7.63	-62.88	0	319.413	1.048	2	4	4	Cc1cc(C)n2[n-]c(=NC(=O)N[C@@](C)(C[NH3+])CC(C)C)nc2n1
365630024	ZINC000623059342	high	6.99	-62.98	-1	319.413	1.048	2	5	4	Cc1cc(C)n2[n-]c(=NC(=O)N[C@@](C)(CN)CC(C)C)nc2n1
365630026	ZINC000623059235	ref	1.39	-54.51	1	318.377	1.455	4	3	5	CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
197590464	ZINC000162768438	ref	4.36	-4.26	0	305.603	3.213	2	3	2	OC1CCC(Nc2ncc(Cl)cc2Br)CC1
365630027	ZINC000623059235	high	-0.42	-77.64	0	318.377	1.455	3	3	5	CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
185087225	ZINC000096072093	ref	4.2	-10.98	0	290.363	1.739	0	4	4	COCC[C@@H]1CO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1
342594232	ZINC000590778254	ref	5.98	-8.38	0	299.374	1.916	1	4	4	Cc1cc(C#N)cc(NCC(=O)N2CCOC[C@@H]2C2CC2)c1
230722257	ZINC000425407182	ref	4.49	-11.57	0	306.362	2.064	2	4	6	COc1cc(CNC(=O)N[C@H]2CC23CC3)cc(OC)c1OC
342594233	ZINC000616956225	ref	3.89	-10.04	0	295.383	1.224	1	5	9	C[C@@H](CC(=O)N(CCOCCO)C1CCC1)n1cccn1
365630030	ZINC000623059295	ref	4.06	-42.37	1	304.213	1.728	1	3	1	C[C@H]1CN(C(=O)c2ncc(Br)s2)[C@H](C)C[NH2+]1
342594234	ZINC000590778179	ref	3.95	-14.66	0	264.285	1.354	0	7	3	Cn1ccc(-c2nc(CC(=O)OC(C)(C)C)no2)n1
342594235	ZINC000616956021	ref	4.7	-16.77	0	286.375	1.965	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1
342594236	ZINC000616955976	ref	2.42	-20.61	0	298.342	1.483	3	3	4	O=C(CCc1ccc2ccccc2c1O)N[C@@H]1CCNC1=O
197590480	ZINC000162765965	ref	6.2	-5.52	0	324.471	2.54	0	5	3	CCSc1ccc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)cn1
197590482	ZINC000162770182	ref	3.29	-9.3	0	312.167	2.482	1	5	4	CC[C@@H](O)c1cn(-c2cc(OC)ccc2Br)nn1
342594237	ZINC000616955976	high	3.19	-63.38	-1	298.342	1.483	2	3	4	O=C(CCc1ccc2ccccc2c1[O-])N[C@@H]1CCNC1=O
178299008	ZINC000237127638	ref	4.72	-50.14	1	359.451	1.59	2	3	4	CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1
365630023	ZINC000457194232	ref	4.3	-8.87	0	296.348	1.961	2	5	6	O=C(NC1CCC1)c1cc([N+](=O)[O-])ccc1SCCO
178299010	ZINC000237127638	mid	3.34	-13.02	0	359.451	1.59	2	4	4	CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2Cc3ccccc3CN2)c1
230722255	ZINC000414265389	ref	6.56	-11.28	0	318.302	3.144	1	4	3	N#Cc1ccc2c(c1)[C@H](NCc1nccc(C(F)(F)F)n1)CC2
178299013	ZINC000237125858	ref	6.97	-63.74	1	358.486	1.804	2	2	6	CN(Cc1ccccc1)C(=O)N1CCC(C(=O)N[C@H](C[NH3+])C2CC2)CC1
178299018	ZINC000237136252	ref	3.71	-52.65	1	357.451	1.095	2	3	7	C[NH2+]CCCC(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1
178299020	ZINC000237128549	ref	2.27	-65.15	1	351.472	1.242	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1
230722258	ZINC000414265389	low	7.93	-49.14	1	318.302	3.144	1	3	3	N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1nccc(C(F)(F)F)n1)CC2
178299023	ZINC000237127842	ref	4.7	-50.63	1	359.451	1.59	2	3	4	CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1
178299025	ZINC000237127842	mid	3.34	-13.13	0	359.451	1.59	2	4	4	CN(C)S(=O)(=O)c1cccc(NC(=O)[C@H]2Cc3ccccc3CN2)c1
398247979	ZINC000650871341	ref	6.51	-18.68	0	299.374	1.91	2	3	6	CCc1cccc(CNC(=O)NCCn2ccccc2=O)c1
178299028	ZINC000237136143	ref	5.12	-50.81	1	367.515	1.512	2	3	8	C[NH2+]CCCC(=O)N1CCC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1
178299032	ZINC000237137138	ref	5.85	-59.38	-1	361.167	1.251	1	4	6	CN(CC(=O)[O-])C(=O)CCNC(=O)c1cc(F)ccc1Br
365630028	ZINC000354696883	ref	5.15	-20.66	0	269.308	1.786	2	4	3	Cc1cc(NC(=O)Cc2ccc3n[nH]cc3c2)n(C)n1
230722267	ZINC000414263989	ref	7.28	-13.47	0	303.427	3.464	0	3	5	COc1c(C)cnc(C[S@@](=O)Cc2cccc(C)c2)c1C
365630031	ZINC000354696693	ref	5.11	-45.63	1	293.411	1.034	2	2	7	C[C@@H](C1CC1)N(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CC1
230722275	ZINC000414265966	ref	7.35	-46.75	1	309.475	3.28	1	2	8	C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc([S@](C)=O)cc1
230722277	ZINC000414265966	high	6.18	-15.13	0	309.475	3.28	1	3	8	C[C@@H](NCC(C)(C)OCC1CC1)c1ccc([S@](C)=O)cc1
178299036	ZINC000237132272	ref	8.26	-39.57	1	357.498	1.898	2	2	6	CCc1ccc(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1
199272972	ZINC000181262004	ref	1.55	-10.0	0	300.156	1.751	2	3	1	Cc1ccc(NC(=O)N2CC[C@@H](O)C2)c(Br)n1
214181779	ZINC000337613314	mid	4.8	-83.4	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1
214181783	ZINC000337613314	mid	2.45	-40.75	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1
214181785	ZINC000337613314	mid	1.61	-40.55	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1
342087134	ZINC000625365089	mid	5.92	-7.69	0	268.401	1.746	0	3	7	CCCN1CCCN(C[C@@H](OCC)C2CC2)CC1=O
214181789	ZINC000337614241	ref	5.0	-12.57	0	290.385	0.711	1	5	5	COC(=O)C[C@@H]1CN(C(=O)NC[C@H](C)SC)CCO1
214181796	ZINC000337611995	ref	4.57	-14.34	0	278.352	0.886	2	3	8	CCC(=O)N[C@H](Cc1ccccc1)C(=O)NCCOC
214181799	ZINC000337612296	ref	6.97	-11.44	0	298.289	2.128	0	4	3	COC(=O)c1ccc(C(=O)N2CCCC[C@@H]2C(F)F)nc1
214181802	ZINC000337613212	ref	4.01	-17.7	0	297.318	2.214	3	4	2	Cc1n[nH]cc1NC(=O)Nc1cccc2c(=O)n(C)ccc12
342087135	ZINC000625365552	ref	5.14	-12.23	0	271.748	1.572	0	4	3	CN(C[C@@H]1CCCOC1)C(=O)c1nn(C)cc1Cl
214181806	ZINC000337612789	ref	2.32	-12.28	0	282.34	2.169	2	4	6	COc1cc(NC(=O)NC[C@@H](C)OC)c(C)c(OC)c1
214181810	ZINC000337613606	ref	4.23	-12.85	0	298.408	0.859	2	5	8	CCSCCCNC(=O)[C@@](C)(O)Cn1ccccc1=O
214181814	ZINC000337615231	ref	6.29	-14.5	0	299.436	2.237	1	4	10	CCN(CCOCCO)C(=O)CCCc1ccc(C)s1
214181817	ZINC000337614905	ref	7.17	-11.95	0	256.349	3.399	1	2	4	CC(C)C[C@H](C)NC(=O)c1cccc2cnccc12
214181819	ZINC000337611701	ref	3.43	-16.78	0	291.413	0.756	1	5	9	CN(CCOCCO)C(=O)CSC[C@H]1CCCCO1
214181822	ZINC000337613583	ref	6.61	-13.77	0	268.401	2.33	1	2	6	CCCCCC(=O)N1CCC[C@H](NC(=O)C(C)C)C1
342087136	ZINC000625365586	ref	7.59	-50.05	1	299.378	1.43	1	4	2	O=C(c1ccnc2ccnn12)N1CC[C@H]([NH+]2CCCCC2)C1
214181825	ZINC000337612599	ref	5.15	-10.06	0	297.42	2.27	1	4	9	CCSc1ccc(C(=O)N(CC)CCOCCO)cc1
214181829	ZINC000337613122	ref	7.43	-48.12	1	293.411	2.243	2	3	5	CC[C@@H](C(=O)NCC1CC[NH+](C)CC1)c1c(C)noc1C
214181833	ZINC000337613979	ref	2.63	-13.06	0	277.368	0.961	2	4	4	CC(C)[C@H](O)CC(=O)N1CCN[C@H](c2cccnc2)C1
214181836	ZINC000337613979	low	3.89	-55.38	1	277.368	0.961	2	3	4	CC(C)[C@H](O)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1
214181841	ZINC000337613159	ref	6.34	-5.47	0	286.828	3.301	1	3	5	CSCC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cn1
342087137	ZINC000625365586	high	5.42	-15.2	0	299.378	1.43	0	5	2	O=C(c1ccnc2ccnn12)N1CC[C@H](N2CCCCC2)C1
342087138	ZINC000625365087	ref	8.33	-41.24	1	268.401	1.746	1	2	7	CCCN1CCC[N@H+](C[C@H](OCC)C2CC2)CC1=O
342087139	ZINC000625365087	mid	8.34	-42.91	1	268.401	1.746	1	2	7	CCCN1CCC[N@@H+](C[C@H](OCC)C2CC2)CC1=O
365630032	ZINC000623059295	high	2.82	-3.94	0	304.213	1.728	1	4	1	C[C@H]1CN(C(=O)c2ncc(Br)s2)[C@H](C)CN1
342087140	ZINC000625365087	mid	6.12	-9.31	0	268.401	1.746	0	3	7	CCCN1CCCN(C[C@H](OCC)C2CC2)CC1=O
365630033	ZINC000623059230	ref	1.03	-48.82	1	306.391	1.534	2	5	3	C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)c1nc2cccnc2s1
342087141	ZINC000046773919	ref	4.66	-8.15	0	260.337	1.296	0	3	2	C[C@H]1COCCN1CC(=O)N1CCc2ccccc21
365630035	ZINC000623059230	high	-0.7	-12.13	0	306.391	1.534	2	6	3	C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)c1nc2cccnc2s1
343994867	ZINC000079943732	mid	5.9	-43.04	1	282.343	2.18	2	2	3	NC(=O)c1cccc(C[N@H+]2CCOc3ccccc3C2)c1
342087142	ZINC000625364439	ref	4.68	-40.9	1	266.389	1.231	2	4	6	CC(C)C[C@]1(CO)CCC[N@@H+]1CCc1cn(C)nn1
295666818	ZINC000412992485	ref	6.37	-9.08	0	324.302	2.631	1	3	3	Cc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c(C)c1
365630037	ZINC000623059231	ref	0.81	-50.06	1	306.391	1.534	2	5	3	C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1nc2cccnc2s1
365630039	ZINC000623059231	high	-0.92	-14.83	0	306.391	1.534	2	6	3	C[C@H]1OC(C)(C)N[C@H]1CNC(=O)c1nc2cccnc2s1
230722270	ZINC000450356342	ref	7.39	-15.05	0	324.388	1.642	1	7	6	C[C@H]1C[C@H]1c1nnc2ccc(N(CCO)Cc3cccnc3)nn12
398247981	ZINC000649442483	ref	8.98	-6.58	0	226.323	3.274	0	2	1	Cc1nn(C)cc1-c1ccc2c(c1)CCCC2
365630041	ZINC000623059584	ref	7.35	-93.99	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1
342087143	ZINC000625364439	mid	4.3	-38.16	1	266.389	1.231	2	4	6	CC(C)C[C@]1(CO)CCC[N@H+]1CCc1cn(C)nn1
365630045	ZINC000623059584	high	4.86	-48.25	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1
342087144	ZINC000625364628	ref	5.59	-13.32	0	264.354	1.834	1	5	4	Cc1nc([C@H](C)NC(=O)Cn2cncc2C)cs1
365630048	ZINC000623060827	ref	2.96	-44.85	1	313.199	1.584	2	3	4	CC(C)([NH3+])CNC(=O)c1nc(C2CC2)ncc1Br
136228974	ZINC000290985582	ref	2.27	-9.93	0	232.283	1.774	3	2	3	C#C[C@H](C)NC(=O)N[C@H](C)c1cccc(O)c1
365630051	ZINC000623060890	ref	4.0	-56.7	1	313.361	1.593	3	3	3	Cc1nc(-c2ccc(NC(=O)N(C)C3C[NH2+]C3)cc2)cc(=O)[nH]1
365639419	ZINC000354711827	ref	0.89	-9.92	0	296.371	1.611	2	5	5	COc1nn(C)cc1NC(=O)NC[C@H]1CCO[C@@H]1C(C)C
365630034	ZINC000354697341	ref	2.85	-12.95	0	297.403	1.22	3	5	8	CC(C)[C@@H](NC(=O)NCCC[C@H](C)CO)c1nncn1C
365630038	ZINC000354697343	ref	2.84	-13.04	0	297.403	1.22	3	5	8	CC(C)[C@H](NC(=O)NCCC[C@H](C)CO)c1nncn1C
365630040	ZINC000367180088	ref	7.22	-60.19	1	298.39	1.816	1	3	3	Cn1c(C[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)nc2ccccc21
365630043	ZINC000367180088	mid	6.02	-12.86	0	298.39	1.816	1	4	3	Cn1c(CN[C@@H]2CC(=O)N3CCCC[C@@H]23)nc2ccccc21
365630046	ZINC000643429701	ref	6.63	-60.74	-1	279.34	1.427	1	5	4	C[C@H](C(=O)NC1(C(=O)[O-])CCCCC1)c1ccnn1C
365630049	ZINC000354697670	ref	3.1	-48.22	1	292.379	1.311	2	4	5	C[C@H](O)CCCN1CCN(C(=O)c2cccc(O)c2)CC1
365630050	ZINC000354697670	mid	1.49	-52.2	-1	292.379	1.311	3	3	5	C[C@H](O)CCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1
365630053	ZINC000354697670	high	1.49	-52.2	-1	292.379	1.311	1	4	5	C[C@H](O)CCCN1CCN(C(=O)c2cccc([O-])c2)CC1
365630055	ZINC000354697157	ref	4.24	-12.41	0	294.399	1.633	2	5	4	Cc1nn(C)c(N)c1C(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C
365630058	ZINC000354696978	ref	6.34	-12.82	0	275.352	1.989	0	4	4	COC[C@H](C)N(C)C(=O)c1ccc2nc(C)n(C)c2c1
365630060	ZINC000354696978	low	6.77	-35.38	1	275.352	1.989	0	3	4	COC[C@H](C)N(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1
365630064	ZINC000354697718	ref	6.71	-17.86	0	290.363	1.233	0	3	4	Cc1cccc(C)c1C(=O)N1CC(OCC(=O)N(C)C)C1
365630066	ZINC000354697158	ref	4.16	-10.08	0	294.399	1.633	2	5	4	Cc1nn(C)c(N)c1C(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C
365630069	ZINC000354696632	ref	3.06	-45.3	1	297.305	1.162	3	2	5	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1F
365630072	ZINC000354696717	ref	1.68	-15.82	0	271.264	1.419	2	3	5	CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1c[nH]cn1
365630074	ZINC000354696717	high	1.68	-46.83	-1	271.264	1.419	1	3	5	CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1c[nH]cn1
365630077	ZINC000354697083	ref	7.68	-11.8	0	297.351	1.2	1	5	7	C/C=C/C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)OC)C(=O)OCC
365630080	ZINC000354696805	ref	5.22	-13.51	0	262.334	1.994	2	4	4	Cc1cnc(NC(=O)[C@H](O)Cc2ccccc2)s1
282121632	ZINC000248968515	ref	3.53	-11.16	0	306.406	1.974	2	4	6	CCc1c(C(=O)CN2CC[C@H](C)[C@H]2CO)[nH]c(C)c1C(C)=O
365630082	ZINC000354697669	ref	3.11	-48.25	1	292.379	1.311	2	4	5	C[C@@H](O)CCCN1CCN(C(=O)c2cccc(O)c2)CC1
365630084	ZINC000354697669	mid	1.49	-52.1	-1	292.379	1.311	3	3	5	C[C@@H](O)CCC[NH+]1CCN(C(=O)c2cccc(O)c2)CC1
365630086	ZINC000354697669	high	1.49	-52.1	-1	292.379	1.311	1	4	5	C[C@@H](O)CCCN1CCN(C(=O)c2cccc([O-])c2)CC1
365630036	ZINC000576584251	ref	5.7	-41.58	1	246.354	2.478	1	1	3	CC[C@@H]([NH3+])C(=O)N1CCCC[C@H]1c1ccccc1
342087145	ZINC000625364628	mid	6.11	-34.54	1	264.354	1.834	1	4	4	Cc1nc([C@H](C)NC(=O)Cn2c[nH+]cc2C)cs1
178299029	ZINC000063106288	ref	6.74	-43.26	1	241.338	2.707	2	2	2	Cc1cc2ccccc2nc1NC1CC[NH2+]CC1
365630042	ZINC000576584251	high	5.36	-6.67	0	246.354	2.478	1	2	3	CC[C@@H](N)C(=O)N1CCCC[C@H]1c1ccccc1
365630044	ZINC000576580198	ref	0.46	-8.64	0	228.292	0.642	2	3	3	CO[C@@H]1COC[C@H]1NC(=O)NC1(C)CCC1
365630047	ZINC000576581222	ref	1.84	-97.23	2	237.347	0.309	2	1	2	[NH3+][C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CCC1
219047721	ZINC000286548412	mid	6.35	-47.01	1	307.743	3.333	2	1	3	OC[C@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1C(F)(F)F
230722292	ZINC000414266765	ref	5.99	-16.15	0	303.374	3.088	1	2	5	CC(C)(C)C[S@](=O)CCC(=O)Nc1cc(F)cc(F)c1
230722295	ZINC000414264428	ref	8.72	-46.61	1	313.445	3.485	1	3	6	CC(C)[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccc1
365630052	ZINC000576581222	high	1.51	-46.56	1	237.347	0.309	2	2	2	N[C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CCC1
365630056	ZINC000576584224	ref	4.11	-102.76	2	235.331	0.846	2	2	6	[NH3+]CCOCC[N@@H+]1CC[C@H](c2cccnc2)C1
365630059	ZINC000576584224	mid	3.87	-100.55	2	235.331	0.846	2	2	6	[NH3+]CCOCC[N@H+]1CC[C@H](c2cccnc2)C1
365630061	ZINC000576584224	high	1.36	-40.16	1	235.331	0.846	1	3	6	[NH3+]CCOCCN1CC[C@H](c2cccnc2)C1
365630063	ZINC000576581497	ref	3.34	-43.76	1	241.379	1.992	3	1	5	C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(C)CCCC1
365630067	ZINC000576583369	ref	7.92	-6.67	0	223.36	2.975	1	1	7	CC(C)C[C@@H]1C[C@H]1C(=O)NCCCC1CC1
230722312	ZINC000414265620	ref	8.76	-48.79	1	311.466	3.292	1	3	7	COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)C1
219047724	ZINC000286548412	mid	4.82	-3.85	0	307.743	3.333	1	2	3	OC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1C(F)(F)F
178299033	ZINC000063106288	low	7.06	-87.23	2	241.338	2.707	2	1	2	Cc1cc2ccccc2[nH+]c1NC1CC[NH2+]CC1
178299038	ZINC000301732873	ref	10.01	-7.27	0	240.35	3.778	0	2	1	Cc1cc2ccccc2nc1N1CC[C@@H](C)[C@@H]1C
342087146	ZINC000625365925	ref	3.03	-9.89	0	286.401	1.404	0	5	2	Cn1nncc1S(=O)(=O)N1CC(C)(C)CCC1(C)C
342087147	ZINC000609029595	ref	3.34	-15.4	0	282.3	1.179	2	5	6	CCc1n[nH]c(C(=O)NCC[C@@H]2CCCO2)c1[N+](=O)[O-]
342087148	ZINC000625364644	ref	2.3	-13.39	0	281.381	1.543	2	4	4	Cc1nc([C@H](C)NC(=O)[C@H](C)[C@@H]2CCC(=O)N2)cs1
342087149	ZINC000625364703	ref	6.45	-11.06	0	255.358	1.686	0	3	6	CCO[C@H](C(=O)N(C)C[C@@H]1CCCOC1)C1CC1
342087150	ZINC000625365452	ref	2.88	-8.34	0	254.305	1.32	1	3	7	CCN(CC(N)=O)C[C@@H](OC)c1ccc(F)cc1
398247982	ZINC000651457521	ref	6.39	-7.26	0	289.404	3.432	1	5	7	C[C@H](COCC1CC1)Nc1cncc(-c2cccs2)n1
214181782	ZINC000278481915	mid	7.99	-38.68	1	312.404	3.116	2	2	6	C[C@H]1C[N@@H+](CCCN[C@@H](C)c2ccc(F)cc2F)CCCO1
214181786	ZINC000278481915	mid	7.04	-48.48	1	312.404	3.116	1	2	6	C[C@H]1CN(CCC[NH2+][C@@H](C)c2ccc(F)cc2F)CCCO1
214181790	ZINC000278481915	low	9.12	-117.44	2	312.404	3.116	2	1	6	C[C@H]1C[N@H+](CCC[NH2+][C@@H](C)c2ccc(F)cc2F)CCCO1
168364539	ZINC000368495511	high	7.53	-11.72	0	339.464	3.433	1	4	4	CN1CCC[C@H](CNC(=O)c2cc(C#N)cs2)[C@H]1c1ccccc1
214181791	ZINC000278481915	low	9.11	-119.9	2	312.404	3.116	2	1	6	C[C@H]1C[N@@H+](CCC[NH2+][C@@H](C)c2ccc(F)cc2F)CCCO1
214181793	ZINC000278480523	ref	6.35	-34.36	1	316.445	2.663	1	3	4	Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CC1(N2CCOCC2)CC1
214181794	ZINC000278480917	ref	5.31	-10.58	0	315.352	2.174	1	6	7	C[C@@H](Cn1cccn1)NCc1nc(Cc2cccc(F)c2)no1
214181797	ZINC000278480917	low	6.5	-43.73	1	315.352	2.174	1	5	7	C[C@@H](Cn1cccn1)[NH2+]Cc1nc(Cc2cccc(F)c2)no1
136228975	ZINC000290981092	ref	7.24	-10.1	0	233.315	1.828	0	3	3	C=C(C)C[C@@H](C)C(=O)N1CCn2cncc2C1
136228976	ZINC000290981092	low	7.83	-40.05	1	233.315	1.828	0	2	3	C=C(C)C[C@@H](C)C(=O)N1CCn2c[nH+]cc2C1
214181801	ZINC000278480312	ref	6.29	-15.0	0	305.353	2.124	1	4	6	CC[C@H](O)c1nccn1CC(=O)N(C)Cc1ccc(F)cc1
214181804	ZINC000278481347	ref	7.18	-13.01	0	300.402	2.894	1	3	6	CC(C)Cn1ccc2c(C(=O)N(CCO)C3CC3)cccc21
214181808	ZINC000278482122	ref	8.05	-9.67	0	322.357	2.448	0	6	5	COC(=O)c1ccc(OC(=O)[C@H]2CCO[C@H]2C(C)C)c(OC)c1
214181812	ZINC000278481926	ref	8.73	-12.63	0	311.385	2.427	1	4	4	C[C@H]1COCC[C@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1
214181815	ZINC000278481926	low	9.25	-41.01	1	311.385	2.427	1	3	4	C[C@H]1COCC[C@H]1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1
214181818	ZINC000278482065	ref	4.77	-47.59	1	302.216	2.089	1	3	4	Cn1ncc(Br)c1C[NH2+]CC1(C)CCOCC1
219047725	ZINC000097682575	ref	9.96	-12.53	0	328.372	3.381	1	5	4	CSc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1
214181821	ZINC000278482065	high	3.56	-6.1	0	302.216	2.089	1	4	4	Cn1ncc(Br)c1CNCC1(C)CCOCC1
219047728	ZINC000097680469	ref	3.52	-20.21	0	334.8	1.692	1	3	4	C[C@H](NC(=O)CN1CCCS1(=O)=O)c1ccc(F)c(Cl)c1
365630054	ZINC000623060890	high	2.9	-83.58	0	313.361	1.593	2	3	3	Cc1nc(-c2ccc(NC(=O)N(C)C3C[NH2+]C3)cc2)cc(=O)[n-]1
365630057	ZINC000623061039	ref	3.25	-48.29	1	323.418	1.306	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1
365630062	ZINC000623059396	ref	6.34	-61.65	1	314.393	1.621	3	4	5	C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365630065	ZINC000623059143	ref	5.88	-45.39	1	307.785	1.473	2	4	5	C[NH2+]C[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365630068	ZINC000623059581	ref	4.28	-43.11	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@@H]2[NH2+]CC[C@H]2C1
342087151	ZINC000625365452	mid	4.08	-44.17	1	254.305	1.32	2	2	7	CC[N@@H+](CC(N)=O)C[C@@H](OC)c1ccc(F)cc1
365630070	ZINC000623059580	ref	4.51	-44.0	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1
299072099	ZINC000567660722	ref	0.68	-16.25	0	288.279	2.239	0	7	6	COc1nccc(CSCc2nc(C(F)F)no2)n1
219047726	ZINC000286546766	ref	8.21	-11.36	0	311.385	3.27	1	4	4	COc1ccccc1/C(C)=C/C(=O)Nc1cc2n(n1)CCCC2
299072104	ZINC000567660555	ref	2.83	-9.94	0	298.427	2.044	3	3	7	C[C@]1(CNC(=O)NCCOCC2CCC2)CCCC[C@@H]1O
299072107	ZINC000567661131	ref	7.2	-48.55	1	293.411	2.243	2	3	6	CC[C@H](C(=O)NCC[N@@H+]1CC[C@H](C)C1)c1c(C)noc1C
365630073	ZINC000623061103	ref	6.99	-93.81	2	302.422	1.965	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1
365630076	ZINC000623061103	high	4.51	-49.52	1	302.422	1.965	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1
365630078	ZINC000623059418	ref	4.34	-15.07	0	309.288	1.118	1	3	5	CCN(CCC(F)(F)F)C(=O)CN1C(=O)NC(C)(C)C1=O
290622214	ZINC000288413449	ref	6.47	-11.76	0	323.396	2.794	1	3	3	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(C(N)=O)cn2)C1
290623534	ZINC000364672651	ref	3.97	-19.57	0	270.398	1.244	1	3	4	C[C@H]1CC[C@@]2(CCN(C(=O)CSCC(N)=O)C2)C1
365630081	ZINC000623060127	ref	2.63	-57.03	1	323.418	1.307	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1
365630083	ZINC000623061102	ref	7.0	-91.45	2	302.422	1.965	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1
365630085	ZINC000623061102	high	4.52	-48.86	1	302.422	1.965	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1
365630088	ZINC000623059297	ref	4.08	-42.3	1	304.213	1.728	1	3	1	C[C@H]1C[NH2+][C@H](C)CN1C(=O)c1ncc(Br)s1
349534144	ZINC000621489155	ref	4.51	-11.96	0	294.351	3.124	0	4	4	COc1cc(C(=O)N(C)[C@@H](C)c2ccccc2F)sn1
365630071	ZINC000576581496	ref	4.36	-46.28	1	241.379	1.992	3	1	5	C[C@@H](C[C@@H](C)[NH3+])NC(=O)NCC1(C)CCCC1
365630075	ZINC000576584149	ref	7.66	-11.84	0	247.298	1.861	0	5	6	C=CCCCCn1nc2c(OC)cccn2c1=O
398247983	ZINC000356404735	mid	6.05	-33.34	1	224.348	1.191	1	2	4	CO[C@H](CN1CC[N@H+]2CCC[C@H]2C1)C1CC1
365630079	ZINC000343842222	ref	3.94	-5.13	0	243.391	2.582	2	2	4	C[C@@H](C(=O)NC[C@@H](O)CC(C)(C)C)C(C)(C)C
365630087	ZINC000576581352	ref	4.11	-97.71	2	239.363	0.583	2	1	1	C[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC[NH2+]1
365630090	ZINC000576581352	high	2.96	-45.13	1	239.363	0.583	2	2	1	C[C@H]1C[C@@H](C(=O)N2C[C@@H](C)NC[C@H]2C)CC[NH2+]1
342087152	ZINC000625365452	mid	4.07	-43.21	1	254.305	1.32	2	2	7	CC[N@H+](CC(N)=O)C[C@@H](OC)c1ccc(F)cc1
365630093	ZINC000576583473	ref	3.35	-6.63	0	241.36	2.277	0	5	4	CCOC1(C)CN(c2nc(C(C)C)ns2)C1
365630097	ZINC000576582296	ref	6.26	-49.05	1	246.354	2.296	1	2	4	Cc1cnccc1C[NH2+]C[C@H]1CC12CCOCC2
365630102	ZINC000576583677	ref	0.16	-56.03	1	249.305	0.475	3	2	5	C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCNCC1(F)F
282121636	ZINC000248968515	low	5.96	-42.97	1	306.406	1.974	3	3	6	CCc1c(C(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)[nH]c(C)c1C(C)=O
365630105	ZINC000576583677	mid	1.52	-111.43	2	249.305	0.475	3	1	5	C[C@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+]CC1(F)F
365630106	ZINC000576581489	ref	3.34	-43.71	1	241.379	1.992	3	1	5	C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(C)CCCC1
365630110	ZINC000576583466	ref	5.03	-7.47	0	231.299	1.522	1	4	4	CCC1(CNc2ccc(C#N)c(C)n2)COC1
214181803	ZINC000293538041	ref	0.8	-14.84	0	357.354	0.911	1	6	6	C[C@@H](CO[C@H]1CCOC1)NS(=O)(=O)c1cn(C)nc1C(F)(F)F
230744729	ZINC000414370758	ref	8.01	-45.95	1	302.447	3.184	1	4	4	CCc1ncc(C[N@@H+]2CCC[C@H](c3nc(C)cs3)C2)cn1
230744732	ZINC000414370758	mid	7.42	-44.42	1	302.447	3.184	1	4	4	CCc1ncc(C[N@H+]2CCC[C@H](c3nc(C)cs3)C2)cn1
230744734	ZINC000414370758	mid	5.6	-6.85	0	302.447	3.184	0	5	4	CCc1ncc(CN2CCC[C@H](c3nc(C)cs3)C2)cn1
230744737	ZINC000414370545	ref	4.96	-8.46	0	307.781	3.322	1	5	6	CCc1ncc(CNc2cc(OC)c(Cl)cc2OC)cn1
365630114	ZINC000576583899	ref	4.11	-37.46	1	245.273	1.808	1	3	5	C[NH2+][C@@H](C)Cc1noc(CC2CC(F)(F)C2)n1
365630118	ZINC000576582571	ref	5.52	-40.76	1	223.316	2.634	1	2	3	Cc1ccoc1C[NH2+][C@@H]1C[C@H](C)O[C@H](C)C1
342087153	ZINC000625364705	ref	6.56	-11.7	0	255.358	1.686	0	3	6	CCO[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)C1CC1
342087154	ZINC000046773974	ref	3.51	-7.51	0	268.401	1.648	1	3	3	C[C@H]1COCCN1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C
398247986	ZINC000356404735	mid	4.86	-33.3	1	224.348	1.191	1	2	4	CO[C@H](C[N@@H+]1CCN2CCC[C@H]2C1)C1CC1
214181807	ZINC000293538041	mid	0.54	-44.99	-1	357.354	0.911	0	6	6	C[C@@H](CO[C@H]1CCOC1)[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F
432002714	ZINC000062099351	ref	5.8	-5.35	0	317.216	3.484	2	2	5	CC(C)CCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl
343994868	ZINC000599273399	ref	4.77	-21.22	0	285.347	1.568	2	3	4	CC(C)C[C@@H](C#N)NC(=O)[C@H]1CNC(=O)c2ccccc21
214181811	ZINC000293537929	ref	1.98	-9.29	0	364.446	0.92	3	6	4	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cc([C@H]2CCCOC2)nn1C
342087155	ZINC000622702097	ref	3.26	-15.25	0	290.363	1.126	2	3	6	COc1ccc(C[C@H](C)C(=O)NC[C@@H]2CNC(=O)C2)cc1
214181816	ZINC000293530942	ref	1.08	-18.59	0	361.398	0.395	3	5	4	NC(=O)COc1ccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)cc1
214181820	ZINC000293528927	ref	2.04	-18.05	0	359.377	0.755	3	5	9	CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1cnn(CC(F)F)c1
214181824	ZINC000293535337	ref	6.39	-22.98	0	369.429	0.938	1	7	6	CC(C)n1cnnc1CN(C)C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1
214181828	ZINC000293539453	ref	4.22	-64.42	1	359.426	0.783	2	4	6	COc1cc(/C=C/C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1OCC(N)=O
214181834	ZINC000293536960	ref	0.72	-15.77	0	360.273	0.385	3	6	6	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1OC(F)F
214181838	ZINC000293527688	ref	8.15	-27.89	0	353.423	0.8	0	7	5	CN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)COCc2nncn2C)C1
214181842	ZINC000293539444	ref	4.42	-65.09	1	359.426	0.783	2	4	6	COc1cc(/C=C/C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1OCC(N)=O
214181846	ZINC000293524344	ref	0.34	-13.87	0	369.443	0.383	3	5	7	CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](OC)C2CC2)c1
214181850	ZINC000293534682	ref	1.93	-12.37	0	372.429	0.639	2	7	4	CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@H](n3cc(CO)nn3)C2)cc1
214181857	ZINC000293536398	ref	1.57	-13.81	0	361.395	0.312	1	5	6	COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)N(C)CCF
342087156	ZINC000625364482	ref	5.2	-6.89	0	289.379	1.758	1	3	6	C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cccnc1
342087157	ZINC000625364930	ref	1.5	-9.0	0	254.286	1.182	0	5	4	COc1nc(C(=O)N(C)C[C@@H]2CCCOC2)co1
342088633	ZINC000121590392	low	7.28	-44.51	1	290.392	1.407	1	4	7	Cn1c[nH+]cc1CCNC(=O)CSCc1cccnc1
342088634	ZINC000046826337	ref	5.82	-10.92	0	290.363	1.551	1	3	6	Cc1ccc(C(=O)CCC(=O)N[C@H](C)C(=O)N(C)C)cc1
342088635	ZINC000121599022	ref	5.24	-46.08	1	287.407	1.914	2	2	3	C[C@]1(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CCC[NH2+]1
342594238	ZINC000616956112	ref	3.94	-7.35	0	297.317	1.965	1	3	8	C[C@@H](CC(F)(F)F)C(=O)N(CCOCCO)C1CCC1
342594239	ZINC000590778242	ref	4.63	-6.73	0	265.357	1.727	1	5	5	C[C@H](Cc1cnccn1)N[C@H](C)C(=O)OC(C)(C)C
178299039	ZINC000237133659	ref	2.09	-56.24	1	357.451	1.323	2	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1
342594240	ZINC000590778242	low	5.59	-36.13	1	265.357	1.727	1	4	5	C[C@H](Cc1cnccn1)[NH2+][C@H](C)C(=O)OC(C)(C)C
185087229	ZINC000096071399	ref	8.88	-43.92	1	292.81	3.04	1	1	1	C[N@@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
185087231	ZINC000096071399	mid	8.62	-43.87	1	292.81	3.04	1	1	1	C[N@H+]1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
185087233	ZINC000096071399	high	6.39	-7.32	0	292.81	3.04	0	2	1	CN1CCC[C@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
214181823	ZINC000278481897	ref	4.22	-10.76	0	315.316	2.451	1	4	5	COc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)ccc1OC(F)F
342594241	ZINC000616956212	ref	3.37	-10.7	0	263.284	1.032	1	3	7	O=C([C@H]1CC1(F)F)N(CCOCCO)C1CCC1
349534148	ZINC000621489474	ref	6.75	-9.85	0	294.37	3.164	1	2	4	CC[C@H]1C[C@H](C)CN1C(=O)NCc1cc(OC)ccc1F
282121640	ZINC000248968515	low	5.59	-44.53	1	306.406	1.974	3	3	6	CCc1c(C(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)[nH]c(C)c1C(C)=O
282121644	ZINC000248965014	ref	2.54	-41.77	1	322.405	1.281	4	4	9	CC(=O)c1ccc(NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1
282121650	ZINC000248965014	mid	3.15	-45.71	1	322.405	1.281	4	4	9	CC(=O)c1ccc(NC(=O)CC[N@H+](C[C@H](C)O)[C@H](C)CO)cc1
282121654	ZINC000248965014	high	-0.06	-13.49	0	322.405	1.281	3	5	9	CC(=O)c1ccc(NC(=O)CCN(C[C@H](C)O)[C@H](C)CO)cc1
185087243	ZINC000096071782	ref	8.22	-35.3	1	278.421	2.696	1	2	1	C[NH+]1CCC2(CCCN(C(=O)c3cccs3)C2)CC1
185087245	ZINC000096071986	ref	3.82	-5.3	0	250.317	2.222	0	3	2	C[C@H]1CO[C@]2(CCN(Cc3ccncc3F)C2)C1
185087247	ZINC000096071986	mid	6.45	-37.8	1	250.317	2.222	1	2	2	C[C@H]1CO[C@]2(CC[N@H+](Cc3ccncc3F)C2)C1
185087248	ZINC000096071986	mid	6.31	-38.8	1	250.317	2.222	1	2	2	C[C@H]1CO[C@]2(CC[N@@H+](Cc3ccncc3F)C2)C1
185087251	ZINC000096070799	ref	7.57	-42.27	1	293.414	2.79	1	2	4	c1ccc(C[N@H+]2CCC3(CN(Cc4ccncc4)C3)C2)cc1
185087253	ZINC000096070799	mid	7.47	-42.44	1	293.414	2.79	1	2	4	c1ccc(C[N@@H+]2CCC3(CN(Cc4ccncc4)C3)C2)cc1
192339479	ZINC000273863550	ref	0.41	-13.06	0	255.318	-0.055	2	5	5	CCn1nc(C)c(C(=O)N(C)C[C@H](O)CO)c1C
349535940	ZINC000093300111	ref	0.83	-8.14	0	292.339	0.207	2	5	2	CCc1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)cn1
365630089	ZINC000354696491	ref	5.37	-13.47	0	298.383	1.54	1	4	5	CCOC(=O)C[C@H](C)CNC(=O)N1CCC[C@]12CCOC2
365630092	ZINC000367180085	ref	7.33	-62.05	1	298.39	1.816	1	3	3	Cn1c(C[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)nc2ccccc21
365630094	ZINC000367180085	mid	6.22	-16.45	0	298.39	1.816	1	4	3	Cn1c(CN[C@H]2CC(=O)N3CCCC[C@H]23)nc2ccccc21
365630098	ZINC000354697340	ref	2.84	-12.98	0	297.403	1.22	3	5	8	CC(C)[C@H](NC(=O)NCCC[C@@H](C)CO)c1nncn1C
136228977	ZINC000290997745	ref	5.34	-11.52	0	243.306	1.506	1	2	3	C#Cc1ccccc1CC(=O)N[C@@]1(C)CCOC1
365630101	ZINC000354697084	ref	7.61	-12.14	0	297.351	1.2	1	5	7	C/C=C\C[C@H](NC(=O)[C@@H]1CC[C@@H]1C(=O)OC)C(=O)OCC
365630104	ZINC000354696332	ref	3.06	-45.08	1	297.424	1.637	1	5	4	C[C@H]1C[C@H]([NH2+]Cc2cnc(N3CCOCC3)s2)CCO1
365630107	ZINC000354709699	ref	3.13	-12.43	0	251.273	1.235	1	3	5	CN(C[C@H]1CCCC[C@H]1O)C(=O)COC(F)F
342594242	ZINC000616956091	ref	5.96	-7.89	0	281.396	1.813	1	3	8	O=C([C@@H]1C[C@H]1C1CCC1)N(CCOCCO)C1CCC1
365630111	ZINC000354696850	ref	4.79	-5.57	0	283.368	1.241	2	4	6	COC(=O)[C@H](NC(=O)C(C1CCC1)C1CCC1)[C@@H](C)O
365630113	ZINC000354697055	ref	4.08	-11.64	0	256.293	1.99	2	2	5	C[C@@H]1C[C@H]1NC(=O)NCCSCC(F)(F)F
342594243	ZINC000616956034	ref	3.73	-10.09	0	287.4	1.437	1	4	10	CO[C@H](CC(C)C)C(=O)N(CCOCCO)C1CCC1
197590486	ZINC000162766538	ref	3.41	-10.19	0	311.447	2.251	2	3	6	CCc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc1CC
365630117	ZINC000354696849	ref	4.8	-11.76	0	274.267	1.164	0	4	4	Cn1cccc1[C@H]1COCCN1C(=O)COC(F)F
342594244	ZINC000616956022	ref	4.7	-16.49	0	286.375	1.965	2	2	3	O=C1NCC[C@H]1NC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1
282121642	ZINC000151634214	ref	5.11	-10.28	0	310.438	2.148	2	3	7	COCCC1(CNC(=O)C2(NC(C)=O)CCCCC2)CCC1
365630121	ZINC000367180126	ref	6.84	-13.63	0	290.338	1.562	0	2	2	CN1C[C@H](C(=O)N2CC[C@](F)(c3ccccc3)C2)CC1=O
342594245	ZINC000590778293	ref	5.56	-48.65	1	268.361	1.365	1	5	7	CCC(C)(C)[C@H](C)[NH2+]Cc1cn(CC(=O)OC)nn1
192339481	ZINC000273863812	ref	10.11	-7.76	0	274.364	2.883	0	4	3	CC(C)OC(=O)c1cccnc1N1C[C@H]2CCC[C@@H]2C1
282121656	ZINC000151631719	ref	5.07	-11.89	0	322.792	2.287	2	4	6	Cc1noc(Cl)c1CC(=O)N[C@H](C)[C@@H](O)Cc1ccccc1
365630123	ZINC000354697191	ref	3.37	-10.5	0	291.395	1.414	2	4	2	CNc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)cn1
343994869	ZINC000139488697	ref	4.84	-59.76	-1	177.159	1.834	0	4	1	Cc1cc2ccnc(C(=O)[O-])c2o1
197590485	ZINC000290086619	ref	3.94	-10.22	0	278.377	2.112	2	4	5	CCc1c(C(=O)NC[C@@H](O)c2ccsc2)ccn1C
398247984	ZINC000649442431	ref	5.64	-9.24	0	230.267	2.167	0	4	1	Cc1nn(C)cc1-c1ccc2c(c1)OCCO2
361823182	ZINC000614361657	mid	7.15	-47.35	-1	311.345	1.412	0	6	2	Cn1cnnc1C1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1
197590487	ZINC000290086787	ref	11.73	-10.44	0	260.385	2.819	0	4	5	C=CCn1c(CC(C)C)nnc1N1CCC=C(C)C1
343994915	ZINC000073800613	ref	5.27	-40.87	1	242.363	1.261	2	2	7	CCCNC(=O)C1CC[NH+](CCOCC)CC1
230744750	ZINC000450491419	ref	4.69	-16.39	0	306.347	1.132	0	7	3	COC(=O)c1cn(C2CN(C(=O)c3cc(C)cs3)C2)nn1
361823188	ZINC000614362267	ref	5.4	-9.81	0	308.378	1.792	0	5	3	C[C@@H]1C[C@]2(CCO1)CN(C(=O)CCc1ccon1)C[C@@H](C)O2
282121643	ZINC000449151497	ref	5.74	-46.83	1	293.386	2.394	2	2	5	CC(C)NC(=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccncc2F)C1
361823195	ZINC000614362313	ref	7.63	-10.22	0	323.396	1.94	0	4	6	O=C([C@@H]1[C@H]2COC[C@H]21)N(CCc1ccccn1)Cc1cccnc1
136228978	ZINC000290987021	ref	5.21	-11.69	0	247.294	0.133	0	3	3	C#CCN(CC#C)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21
136228979	ZINC000290983862	ref	3.0	-21.61	0	209.249	-0.508	1	2	2	C#CCN(C)C(=O)N[C@@H]1CCN(C)C1=O
342087158	ZINC000625363332	ref	3.38	-16.82	0	288.294	1.768	1	4	9	CCCOc1ccc(CNC(=O)COCC(F)F)cn1
342087159	ZINC000625362795	ref	1.87	-17.1	0	288.307	1.296	2	5	6	CCCOc1ccc(CNC(=O)c2cc(=O)[nH]cn2)cn1
342087160	ZINC000625362795	high	0.71	-41.59	-1	288.307	1.296	1	5	6	CCCOc1ccc(CNC(=O)c2cc(=O)[n-]cn2)cn1
361823202	ZINC000614362269	ref	7.34	-10.36	0	307.394	1.702	0	5	2	CCn1cnc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)c1
361823208	ZINC000614362324	ref	0.71	-12.6	0	322.361	1.291	2	5	1	C[C@H]1CN(C(=O)c2cc(O)cc(=O)[nH]2)C[C@@]2(CCO[C@H](C)C2)O1
361823214	ZINC000614362629	ref	7.95	-12.02	0	300.366	1.223	1	6	3	CC1=C[C@H](C)CN(C(=O)CCn2cnc3c(N)ncnc32)C1
361823220	ZINC000614363105	ref	4.2	-19.22	0	316.365	1.064	4	4	7	C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCc1nnc[nH]1
361823227	ZINC000614363105	mid	3.81	-16.17	0	316.365	1.064	4	4	7	C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCCc1nc[nH]n1
361823233	ZINC000614363308	ref	5.48	-18.6	0	311.345	1.73	3	4	5	Cc1c(C(=O)NCCCc2nnc[nH]2)[nH]c(=O)c2ccccc12
361823238	ZINC000614363308	mid	5.08	-15.31	0	311.345	1.73	3	4	5	Cc1c(C(=O)NCCCc2nc[nH]n2)[nH]c(=O)c2ccccc12
342087161	ZINC000048398016	ref	8.16	-9.09	0	292.364	1.934	0	7	5	CCOC(=O)CSc1nnnn1-c1cccc(C)c1C
342087162	ZINC000625363160	ref	2.65	-9.05	0	283.372	1.822	0	6	10	CCOCCOCCN(C)Cc1noc(C2CCC2)n1
398247985	ZINC000650868888	ref	7.58	-43.01	1	287.354	1.911	2	1	4	C[N@H+](CCNC(=O)N1CCC2(CC1)CC2(F)F)C1CC1
398247990	ZINC000650868888	mid	7.56	-42.84	1	287.354	1.911	2	1	4	C[N@@H+](CCNC(=O)N1CCC2(CC1)CC2(F)F)C1CC1
398247991	ZINC000650868888	high	5.13	-11.02	0	287.354	1.911	1	2	4	CN(CCNC(=O)N1CCC2(CC1)CC2(F)F)C1CC1
398249389	ZINC000100414830	ref	6.57	-48.28	1	226.364	2.167	1	1	6	CCCCCCCC(=O)N1CC[NH2+]C[C@@H]1C
398249390	ZINC000100414830	mid	5.26	-6.33	0	226.364	2.167	1	2	6	CCCCCCCC(=O)N1CCNC[C@@H]1C
398249391	ZINC000100509098	ref	5.45	-5.06	0	210.101	2.71	0	1	1	O=C(c1cc(F)ccc1F)C(F)(F)F
398249392	ZINC000100407075	ref	5.29	-41.58	-1	246.163	2.481	0	2	1	O=c1cc(C(F)(F)F)[n-]n1-c1ccccc1F
398249393	ZINC000525865230	ref	8.23	-31.53	1	227.392	3.17	1	1	7	COC[C@H](C)C[N@H+](CC(C)C)C1CCCC1
398249394	ZINC000525865230	mid	7.99	-31.54	1	227.392	3.17	1	1	7	COC[C@H](C)C[N@@H+](CC(C)C)C1CCCC1
342087163	ZINC000625363355	ref	1.07	-46.25	1	289.282	1.063	2	4	6	COCC[N@@H+]1CC[C@@H](NC(=O)c2ocnc2C(F)F)C1
398249395	ZINC000190671208	ref	4.33	-8.95	0	247.404	2.675	1	2	5	CCCCS(=O)(=O)N[C@H]1CCC[C@H](C)CC1
398249396	ZINC000190671188	ref	4.24	-8.89	0	247.404	2.675	1	2	5	CCCCS(=O)(=O)N[C@@H]1CCC[C@H](C)CC1
398249397	ZINC000457199681	ref	8.1	-6.34	0	227.392	3.61	1	1	5	CC(C)C[C@H](C)C(=O)N[C@@H](C)CC(C)(C)C
342087164	ZINC000625363355	mid	0.91	-46.19	1	289.282	1.063	2	4	6	COCC[N@H+]1CC[C@@H](NC(=O)c2ocnc2C(F)F)C1
398249398	ZINC000100412276	ref	7.75	-8.05	0	211.265	2.762	0	4	7	CCCCCCCn1cc([N+](=O)[O-])cn1
219047731	ZINC000097680725	ref	8.84	-8.83	0	338.167	3.793	0	1	5	CN(CCC(F)(F)F)C(=O)CCc1ccccc1Br
342087165	ZINC000625363355	mid	-1.33	-10.99	0	289.282	1.063	1	5	6	COCCN1CC[C@@H](NC(=O)c2ocnc2C(F)F)C1
398249399	ZINC000100407043	ref	6.26	-48.99	-1	220.247	2.574	0	2	2	CC(C)c1cc(=O)n(-c2ccccc2F)[n-]1
349534149	ZINC000594967446	high	4.91	-12.28	0	287.375	2.744	1	2	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(F)cc2F)C1
398249400	ZINC000100407043	mid	6.41	-14.8	0	220.247	2.574	1	2	2	CC(C)c1cc(=O)n(-c2ccccc2F)[nH]1
398249401	ZINC000100408976	ref	8.3	-34.54	1	229.364	2.888	1	2	10	CCCCCCCC[NH2+][C@H](C)CC(=O)OC
398249402	ZINC000100407023	ref	6.53	-12.23	0	220.247	2.719	1	2	3	CCCc1cc(=O)n(-c2ccc(F)cc2)[nH]1
398249403	ZINC000100407023	mid	6.43	-38.19	-1	220.247	2.719	0	2	3	CCCc1cc(=O)n(-c2ccc(F)cc2)[n-]1
214181826	ZINC000053400686	ref	8.15	-13.02	0	345.449	4.145	0	6	3	Cc1cc([C@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)on1
214181831	ZINC000053400684	ref	8.16	-13.11	0	345.449	4.145	0	6	3	Cc1cc([C@@H]2CCCN2C(=O)c2csc(-c3cccs3)n2)on1
214181835	ZINC000053410050	ref	7.43	-16.65	0	340.427	3.032	1	5	6	CCCn1c(C)c(C(=O)NCc2cnn(C)c2)c2cc(OC)ccc21
192339483	ZINC000081924522	mid	3.51	-42.28	1	315.435	2.178	1	4	6	C[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)cc1OC
214181839	ZINC000053395452	ref	2.59	-12.09	0	326.78	1.75	2	4	7	CCOc1cc(/C=C/C(=O)N[C@H](C)C(N)=O)cc(Cl)c1OC
214181844	ZINC000053394924	ref	8.53	-10.59	0	343.452	2.892	0	5	3	O=C(CSc1ncnc2ccccc12)N1CCO[C@@H]2CCCC[C@@H]21
214181848	ZINC000053403158	ref	5.06	-9.77	0	339.395	3.386	0	6	7	COc1ccc(CN(C)Cc2noc(-c3ccccc3)n2)c(OC)c1
342594246	ZINC000590778293	high	4.55	-14.39	0	268.361	1.365	1	6	7	CCC(C)(C)[C@H](C)NCc1cn(CC(=O)OC)nn1
214181853	ZINC000053401352	ref	10.01	-15.4	0	328.437	3.672	0	4	2	Cc1ccc2c(c1)S[C@@H](C(=O)N1CCC[C@H]1c1cc(C)no1)C2
214181856	ZINC000053404036	ref	5.73	-45.62	1	345.443	2.258	3	3	4	C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1
214181859	ZINC000053404036	mid	5.71	-46.66	1	345.443	2.258	3	3	4	C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1
214181863	ZINC000053402393	ref	7.33	-19.03	0	346.431	3.35	0	6	5	Cc1cc([C@H]2CCCN2C(=O)CCCc2nc(C(C)(C)C)no2)on1
214181869	ZINC000053404038	ref	5.67	-46.56	1	345.443	2.258	3	3	4	C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1
219047732	ZINC000286548079	ref	3.94	-11.24	0	309.416	2.675	1	6	4	O=C(Cc1cncs1)Nc1nc(C2CCOCC2)cs1
219047735	ZINC000286547250	ref	6.86	-11.34	0	311.41	2.904	1	5	3	OC[C@@H]1CN(c2ncnc3ccccc23)C[C@H]1c1ccsc1
214181872	ZINC000053404038	mid	5.74	-45.72	1	345.443	2.258	3	3	4	C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)NC(=O)CO3)C1
214181875	ZINC000053396376	ref	6.54	-13.78	0	335.407	2.818	2	3	5	CCn1c2ccccc2c2cc(/C=C/C(=O)N[C@H](C)C(N)=O)ccc21
230235972	ZINC000336810807	mid	-2.51	-39.61	1	273.333	-1.549	4	4	7	COCCCNC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1
136228980	ZINC000290983005	ref	-0.17	-14.9	0	238.291	0.038	3	4	6	C=C[C@H](CO)NC(=O)NCCn1cc(C)cn1
178299042	ZINC000237128737	ref	2.3	-15.31	0	354.794	1.775	1	7	7	COCCc1noc(CN(C)C(=O)c2cc(Cl)c(N)cc2OC)n1
185087257	ZINC000096072015	ref	10.3	-35.49	1	273.42	3.366	1	1	4	CC(C)[C@@H]1CO[C@]2(CC[N@H+](CCc3ccccc3)C2)C1
185087258	ZINC000096072015	mid	10.37	-37.54	1	273.42	3.366	1	1	4	CC(C)[C@@H]1CO[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1
185087260	ZINC000096071023	ref	4.55	-10.64	0	293.436	2.366	0	4	3	CC(C)C(=O)N1CCC[C@]12CCN(Cc1nccs1)C2
185087261	ZINC000096071023	mid	6.74	-27.65	1	293.436	2.366	1	3	3	CC(C)C(=O)N1CCC[C@]12CC[N@H+](Cc1nccs1)C2
185087263	ZINC000096071023	mid	7.42	-28.22	1	293.436	2.366	1	3	3	CC(C)C(=O)N1CCC[C@]12CC[N@@H+](Cc1nccs1)C2
185087265	ZINC000096071171	ref	8.08	-46.79	1	273.38	2.058	1	2	3	CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccccn1)C2
342594247	ZINC000590778253	ref	6.36	-8.46	0	299.374	1.916	1	4	4	Cc1cc(C#N)cc(NCC(=O)N2CCOC[C@H]2C2CC2)c1
185087267	ZINC000096071171	mid	7.98	-45.16	1	273.38	2.058	1	2	3	CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccccn1)C2
185087269	ZINC000096071171	mid	7.34	-11.28	0	273.38	2.058	0	3	3	CCN1C(=O)CC[C@]12CCCN(Cc1ccccn1)C2
197590498	ZINC000162763776	ref	4.94	-44.86	1	304.619	3.179	2	2	2	[NH3+]C1CCC(Nc2ncc(Cl)cc2Br)CC1
185087270	ZINC000096070937	ref	8.44	-46.1	1	285.416	2.855	1	3	3	c1cncc(N2CC3(CC[N@@H+](Cc4ccsc4)C3)C2)c1
185087273	ZINC000096070937	mid	8.48	-46.12	1	285.416	2.855	1	3	3	c1cncc(N2CC3(CC[N@H+](Cc4ccsc4)C3)C2)c1
185087274	ZINC000096070937	high	6.03	-5.8	0	285.416	2.855	0	4	3	c1cncc(N2CC3(CCN(Cc4ccsc4)C3)C2)c1
282121647	ZINC000449151497	high	4.56	-11.79	0	293.386	2.394	2	3	5	CC(C)NC(=O)[C@H]1CCC[C@@H](NCc2ccncc2F)C1
185087279	ZINC000096071460	ref	6.99	-35.55	1	289.423	2.908	1	3	4	C=CC[N@H+]1CCC[C@]12CCCN(Cc1c(C)noc1C)C2
185087281	ZINC000096071460	mid	7.55	-35.56	1	289.423	2.908	1	3	4	C=CC[N@@H+]1CCC[C@]12CCCN(Cc1c(C)noc1C)C2
185087283	ZINC000096071460	mid	7.65	-39.31	1	289.423	2.908	1	3	4	C=CCN1CCC[C@]12CCC[N@@H+](Cc1c(C)noc1C)C2
136228981	ZINC000290990273	ref	4.74	-13.74	0	236.319	1.56	2	2	7	C=CCCCN(C)C(=O)NCCc1cn[nH]c1
342594248	ZINC000590778315	ref	4.5	-13.89	0	278.312	1.915	0	7	3	C[C@@H](C(=O)OC(C)(C)C)c1noc(-c2ccn(C)n2)n1
136228982	ZINC000290987248	ref	0.41	-9.25	0	242.319	0.341	3	3	7	C#C[C@H](NC(=O)N[C@H](CCO)COC)C(C)C
185087284	ZINC000096071460	mid	7.69	-41.08	1	289.423	2.908	1	3	4	C=CCN1CCC[C@]12CCC[N@H+](Cc1c(C)noc1C)C2
342594249	ZINC000616956747	ref	3.31	-18.99	0	297.358	1.724	2	3	3	CCc1nc2ccccc2c(C(=O)N[C@@H]2CCNC2=O)c1C
290622215	ZINC000287979913	ref	9.4	-16.78	0	320.396	3.343	0	4	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cnn3cccnc23)C1
398247987	ZINC000651457688	ref	10.13	-35.19	1	295.471	3.083	2	1	8	CCCN(CC[NH+](CC)CC)C(=O)NC1CC2(CCC2)C1
342594250	ZINC000616956228	ref	4.52	-7.54	0	269.385	1.813	1	3	7	CC1(C)CC[C@@H]1C(=O)N(CCOCCO)C1CCC1
197590497	ZINC000290087806	ref	6.75	-50.17	1	299.374	2.464	2	3	6	c1n[nH]cc1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1
365630091	ZINC000623059297	high	2.82	-3.93	0	304.213	1.728	1	4	1	C[C@H]1CN[C@H](C)CN1C(=O)c1ncc(Br)s1
365630095	ZINC000623059341	ref	7.65	-61.62	0	319.413	1.048	2	4	4	Cc1cc(C)n2[n-]c(=NC(=O)N[C@](C)(C[NH3+])CC(C)C)nc2n1
365630096	ZINC000623059341	high	7.81	-57.29	-1	319.413	1.048	2	5	4	Cc1cc(C)n2[n-]c(=NC(=O)N[C@](C)(CN)CC(C)C)nc2n1
230722353	ZINC000425406911	ref	7.16	-41.87	1	308.447	2.367	2	3	6	CO[C@H](C[NH+]1CCC(NC(=O)c2ccsc2)CC1)C1CC1
398247994	ZINC000651458796	ref	10.16	-35.67	1	295.471	3.083	2	1	8	CCN(CCC[NH+](CC)CC)C(=O)NC1CC2(CCC2)C1
342594251	ZINC000616956027	ref	4.66	-8.96	0	295.379	1.848	1	4	9	C[C@H](Cc1ccco1)C(=O)N(CCOCCO)C1CCC1
365630100	ZINC000623061092	ref	7.39	-38.34	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1
365630103	ZINC000623059146	ref	5.1	-49.68	1	321.812	1.849	2	4	5	CC(C)[C@@H]([NH3+])CNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
342594252	ZINC000616956252	ref	4.58	-9.79	0	285.384	1.191	1	4	9	CO[C@@H](C(=O)N(CCOCCO)C1CCC1)C1CCC1
342594253	ZINC000616962759	ref	1.77	-15.4	0	281.381	1.268	2	4	4	Cc1nc(CC(C)C)c(C(=O)N[C@@H]2CCNC2=O)s1
342594254	ZINC000616956671	ref	2.09	-16.78	0	275.333	1.223	2	4	2	Cc1ccc2snc(C(=O)N[C@H]3CCNC3=O)c2c1
342594255	ZINC000616956748	ref	3.71	-14.49	0	266.385	1.988	2	2	4	CC(C)(CC(=O)N[C@@H]1CCNC1=O)C1CCCCC1
365630108	ZINC000623061261	ref	4.41	-37.88	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@H]2CC[NH2+][C@H]2C1
342594256	ZINC000616956037	ref	4.86	-8.17	0	267.369	1.567	1	3	7	O=C(N(CCOCCO)C1CCC1)[C@@]12CCC[C@@H]1C2
342594257	ZINC000616959321	ref	3.8	-18.63	0	256.305	1.264	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc2c(c1)CCC=C2
342594258	ZINC000616959308	ref	5.07	-21.94	0	299.374	1.916	2	3	4	CC(C)Cn1ccc2c(C(=O)N[C@H]3CCNC3=O)cccc21
365630112	ZINC000623060718	ref	2.48	-46.83	1	312.345	1.95	2	4	4	CC(C)([NH3+])CNC(=O)c1nnc(-c2c(F)cccc2F)s1
398247997	ZINC000651458803	ref	7.62	-11.24	0	290.329	3.301	1	1	1	C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)NC1CC2(CCC2)C1
365630099	ZINC000172878031	ref	5.38	-10.6	0	251.326	1.913	1	3	6	CO[C@@H](C)C(=O)NC[C@H](C)Oc1ccccc1C
398247988	ZINC000356404735	mid	5.42	-32.05	1	224.348	1.191	1	2	4	CO[C@H](C[N@H+]1CCN2CCC[C@H]2C1)C1CC1
178299044	ZINC000301732873	low	10.4	-21.05	1	240.35	3.778	0	1	1	Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@@H]1C
282121648	ZINC000156177685	ref	8.45	-40.34	1	326.444	1.937	1	3	4	C[NH+](C)C[C@@H]1CCN([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1
349534151	ZINC000618811522	ref	3.47	-11.5	0	280.715	1.446	1	5	3	CN(Cc1cn(C)nn1)C(=O)c1cc(Cl)ccc1O
178299047	ZINC000008702175	ref	8.01	-48.92	-1	203.241	2.595	0	3	2	Cc1cc2ccccc2n1[C@H](C)C(=O)[O-]
282121661	ZINC000156177685	low	10.88	-103.72	2	326.444	1.937	2	2	4	C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1
178299050	ZINC000104302635	ref	9.56	-5.95	0	227.332	4.06	0	2	2	Cc1cc2ccccc2n1Cc1ccsc1
290622216	ZINC000288398005	ref	6.64	-8.08	0	297.358	2.383	1	3	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc(=O)[nH]n2)C1
365630109	ZINC000172878574	ref	3.27	-10.87	0	250.298	1.064	1	4	4	CC[C@@H](NC(=O)[C@H]1COCCO1)c1ccncc1
178299055	ZINC000053525712	ref	9.58	-46.11	1	242.366	3.338	1	1	5	Cc1cc2ccccc2n1CC[NH2+][C@H](C)C1CC1
178299060	ZINC000301741755	ref	9.41	-7.59	0	226.323	3.389	0	2	1	Cc1cc2ccccc2nc1N1CC[C@H](C)C1
365630119	ZINC000274377901	ref	4.19	-11.45	0	262.284	1.693	0	4	1	N#Cc1c(F)cccc1N1CCO[C@@]2(CCOC2)C1
178299064	ZINC000301741755	low	9.8	-21.38	1	226.323	3.389	0	1	1	Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)C1
365630126	ZINC000172878089	ref	5.03	-10.01	0	264.325	1.72	2	4	6	CCNC(=O)c1ccc(C)c(NCC(=O)OCC)c1
365630133	ZINC000172880622	ref	1.66	-47.35	-1	299.396	1.267	1	4	4	CC1CCC(NC(=O)[C@H](C)S(=O)(=O)c2ncc[n-]2)CC1
178299068	ZINC000063106467	ref	5.12	-8.19	0	216.284	1.972	1	3	3	Cc1cc2ccccc2nc1N(C)CCO
365630141	ZINC000172880622	mid	2.16	-20.77	0	299.396	1.267	2	4	4	CC1CCC(NC(=O)[C@H](C)S(=O)(=O)c2ncc[nH]2)CC1
178299071	ZINC000063106467	low	5.59	-22.95	1	216.284	1.972	1	2	3	Cc1cc2ccccc2[nH+]c1N(C)CCO
192339484	ZINC000273863857	ref	6.04	-38.84	1	275.165	3.432	1	1	4	CC[C@@H](C)[NH2+][C@H](C)c1cc(Br)ncc1F
178299076	ZINC000071397605	ref	6.72	-44.31	1	241.338	2.707	2	2	2	Cc1cc2ccccc2nc1N[C@H]1CCC[NH2+]C1
178299080	ZINC000034432714	ref	10.0	-33.17	1	228.339	3.044	1	1	2	Cc1cc2ccccc2n1C[C@@H]1CCC[N@H+]1C
365630145	ZINC000643091674	ref	2.02	-11.13	0	276.336	1.58	3	3	4	C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCC1(CO)CC1
398247989	ZINC000649442298	ref	8.11	-10.94	0	240.306	2.833	0	3	1	Cc1cc(-c2cn(C)nc2C)cc2c1C(=O)CC2
398247993	ZINC000649442630	ref	5.56	-12.35	0	215.256	1.993	0	4	2	CC(=O)c1ccc(-c2cn(C)nc2C)nc1
398247996	ZINC000649442556	ref	3.69	-10.9	0	232.283	1.767	1	4	4	Cc1nn(C)cc1-c1ccccc1OCCO
398247998	ZINC000649442629	ref	4.34	-7.62	0	230.267	2.178	0	4	2	c1cc(-c2ccoc2)cc(N2CCOCC2)n1
398248000	ZINC000649442629	low	4.65	-32.19	1	230.267	2.178	0	3	2	c1cc(-c2ccoc2)cc(N2CCOCC2)[nH+]1
398248002	ZINC000649442452	ref	7.5	-6.29	0	200.285	3.012	0	2	1	Cc1ccc(C)c(-c2cn(C)nc2C)c1
398248005	ZINC000649442427	ref	3.61	-10.62	0	232.283	1.767	1	4	4	Cc1nn(C)cc1-c1cccc(OCCO)c1
398248007	ZINC000649442491	ref	4.56	-9.04	0	216.284	2.196	1	3	2	Cc1cc(-c2cn(C)nc2C)ccc1CO
398248010	ZINC000649442444	ref	8.48	-11.07	0	240.306	2.988	0	3	3	Cc1nn(C)cc1-c1ccc(C(=O)C2CC2)cc1
398248012	ZINC000649442567	ref	6.23	-10.75	0	242.278	2.361	0	4	1	Cc1nn(C)cc1-c1ccc2c(c1)C(=O)CCO2
178299045	ZINC000237135405	ref	2.04	-58.34	1	357.451	1.371	3	3	6	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1
398248014	ZINC000649442472	ref	6.04	-9.59	0	241.216	2.809	0	3	1	Cc1nn(C)cc1-c1ccc(C(F)(F)F)cn1
398248016	ZINC000649442595	ref	5.42	-11.85	0	243.31	2.032	1	3	3	CC(=O)NCc1ccc(-c2cn(C)nc2C)cc1
136228983	ZINC000290993972	ref	4.91	-5.63	0	213.321	2.128	1	2	6	C=C[C@@](C)(CC)C(=O)N[C@H](C)[C@@H](C)OC
365630115	ZINC000623059583	ref	7.53	-94.5	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1
398248018	ZINC000649442555	ref	6.83	-6.0	0	206.314	3.074	0	3	1	Cc1cc(-c2cn(C)nc2C)c(C)s1
398248019	ZINC000649442550	ref	6.29	-8.45	0	214.268	2.33	0	3	1	Cc1c(-c2cccc3c2OCC3)cnn1C
398248021	ZINC000649442558	ref	5.7	-7.8	0	226.279	2.932	0	3	4	c1cncc(-c2cccnc2OCC2CC2)c1
398248023	ZINC000649442366	ref	7.73	-9.36	0	240.306	2.915	0	3	1	Cc1nn(C)cc1-c1cccc2c1CCCC2=O
178299048	ZINC000237125789	ref	4.05	-58.16	1	351.472	1.344	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)CC2
349534152	ZINC000602430059	mid	7.74	-42.25	1	238.331	2.423	2	2	7	CCC[N@@H+](CC)Cc1ccc(C(=O)OCC)[nH]1
398248025	ZINC000649442576	ref	6.59	-6.15	0	231.32	3.599	0	3	4	c1csc(-c2cccnc2OCC2CC2)c1
398248027	ZINC000649442370	ref	5.26	-9.48	0	229.283	2.271	0	4	4	Cn1cc(-c2cccnc2OCC2CC2)cn1
185087286	ZINC000096071460	high	5.37	-5.21	0	289.423	2.908	0	4	4	C=CCN1CCC[C@]12CCCN(Cc1c(C)noc1C)C2
365630116	ZINC000623059583	high	5.05	-48.68	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1
342594259	ZINC000616960053	ref	3.84	-19.83	0	276.361	1.583	2	3	5	C=CCSc1ccccc1C(=O)N[C@H]1CCNC1=O
214181827	ZINC000278480356	ref	5.45	-16.29	0	320.443	2.832	1	6	4	O=C(Nc1nnc(-c2ccsc2)s1)[C@H]1CCCN1C1CC1
342594260	ZINC000616956705	ref	2.98	-21.99	0	284.315	1.467	2	3	3	COc1ccc2ccc(C(=O)N[C@@H]3CCNC3=O)cc2c1
365630120	ZINC000623061038	ref	3.1	-48.03	1	323.418	1.306	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1
365630122	ZINC000623059407	ref	3.85	-51.52	1	302.378	1.416	3	3	5	CC(C)C[C@](C)(C[NH3+])NC(=O)c1nc2ccccc2c(=O)[nH]1
365630125	ZINC000623059407	mid	2.79	-64.55	0	302.378	1.416	2	3	5	CC(C)C[C@](C)(C[NH3+])NC(=O)c1nc2ccccc2c(=O)[n-]1
219047734	ZINC000097682158	ref	5.87	-12.02	0	337.345	3.448	1	3	3	O=C(Nc1ccc2ncccc2c1)[C@H]1CCCN(CC(F)(F)F)C1
365630128	ZINC000623059140	ref	4.44	-51.47	1	309.414	1.383	2	4	7	C[NH2+]CCC1CCN(C(=O)Nc2cnn(CCOC)c2)CC1
230722373	ZINC000425405214	ref	6.59	-9.91	0	323.462	2.352	0	4	3	C[C@@H](CN(C)C(=O)C(=O)N1CC[C@@H](C)C[C@H]1C)c1nccs1
365630130	ZINC000623060367	ref	5.38	-37.83	1	304.394	1.076	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1
365630134	ZINC000623059294	ref	4.2	-41.8	1	304.213	1.728	1	3	1	C[C@H]1CN(C(=O)c2ncc(Br)s2)[C@@H](C)C[NH2+]1
365630136	ZINC000623059294	high	2.92	-4.68	0	304.213	1.728	1	4	1	C[C@H]1CN(C(=O)c2ncc(Br)s2)[C@@H](C)CN1
365630139	ZINC000623060543	ref	4.47	-47.39	1	307.785	1.603	2	4	4	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NCC(C)(C)[NH3+]
365630143	ZINC000623060119	ref	6.66	-60.05	1	312.377	1.327	2	4	3	CN(C(=O)Nc1cccc(-c2nnc3n2CCC3)c1)C1C[NH2+]C1
178299051	ZINC000237125563	ref	7.08	-59.89	1	358.486	1.804	2	2	6	CN(Cc1ccccc1)C(=O)N1CCC(C(=O)NC[C@H]([NH3+])C2CC2)CC1
342594261	ZINC000364808358	ref	6.39	-47.7	1	279.384	1.249	1	3	3	CC(C)(C#N)CC(=O)N1CC[NH+](C2CCOCC2)CC1
365630147	ZINC000623059233	ref	1.0	-48.24	1	306.391	1.534	2	5	3	C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)c1nc2cccnc2s1
192339485	ZINC000273863857	high	5.22	-1.95	0	275.165	3.432	1	2	4	CC[C@@H](C)N[C@H](C)c1cc(Br)ncc1F
365630151	ZINC000623059233	high	-0.63	-13.23	0	306.391	1.534	2	6	3	C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)c1nc2cccnc2s1
343994916	ZINC000139483733	ref	5.07	-2.95	0	176.137	2.503	0	1	2	CCOc1c(F)cc(F)cc1F
185087288	ZINC000096072016	ref	10.29	-36.97	1	273.42	3.366	1	1	4	CC(C)[C@H]1CO[C@@]2(CC[N@H+](CCc3ccccc3)C2)C1
136228984	ZINC000290981894	ref	-1.66	-11.1	0	237.259	-0.058	2	5	5	C=CC[C@H](CO)NC(=O)c1cc2n(n1)CCO2
185087289	ZINC000096072016	mid	10.31	-37.34	1	273.42	3.366	1	1	4	CC(C)[C@H]1CO[C@@]2(CC[N@@H+](CCc3ccccc3)C2)C1
185087291	ZINC000096072079	ref	4.92	-7.62	0	262.353	2.104	0	4	4	COCC[C@@H]1CO[C@@]2(CCN(c3cccnc3)C2)C1
185087293	ZINC000096070736	ref	9.92	-52.29	1	286.419	2.685	1	1	3	Cc1ccccc1C[NH+]1CC2(CCN(C(=O)C(C)C)C2)C1
342087166	ZINC000625366098	ref	2.06	-8.96	0	298.333	1.566	2	3	4	C[C@@H](NC(=O)CN1C[C@H](O)CC(F)(F)C1)c1ccccc1
342087167	ZINC000625363050	ref	-0.36	-7.58	0	271.744	1.627	2	4	3	C[C@H]1CN(Cc2cc(O)ccc2Cl)C[C@@H](CO)O1
342087168	ZINC000625363050	high	0.46	-43.63	-1	271.744	1.627	1	4	3	C[C@H]1CN(Cc2cc([O-])ccc2Cl)C[C@@H](CO)O1
342087169	ZINC000625363166	ref	4.85	-41.31	1	282.306	1.412	2	2	6	COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342087170	ZINC000625363166	mid	4.7	-41.18	1	282.306	1.412	2	2	6	COCC[N@H+]1CC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
185087295	ZINC000096070736	high	6.62	-8.0	0	286.419	2.685	0	2	3	Cc1ccccc1CN1CC2(CCN(C(=O)C(C)C)C2)C1
185087298	ZINC000096071586	ref	8.31	-41.3	1	278.421	2.583	1	2	2	CC(=O)N1CCC[C@]2(CC[N@H+](Cc3ccsc3)C2)C1
342087171	ZINC000625363166	high	2.46	-6.57	0	282.306	1.412	1	3	6	COCCN1CC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
185087299	ZINC000096071586	mid	8.26	-41.62	1	278.421	2.583	1	2	2	CC(=O)N1CCC[C@]2(CC[N@@H+](Cc3ccsc3)C2)C1
342087172	ZINC000625363871	ref	6.35	-6.3	0	290.363	1.79	1	3	4	CN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
185087301	ZINC000096071586	high	5.75	-7.94	0	278.421	2.583	0	3	2	CC(=O)N1CCC[C@]2(CCN(Cc3ccsc3)C2)C1
185087303	ZINC000096071602	ref	8.07	-33.01	1	262.397	2.896	1	2	3	CC[N@@H+]1CC[C@]2(CCCN(Cc3ccc(C)o3)C2)C1
185087304	ZINC000096071602	mid	7.82	-33.24	1	262.397	2.896	1	2	3	CC[N@H+]1CC[C@]2(CCCN(Cc3ccc(C)o3)C2)C1
185087306	ZINC000096071602	low	9.95	-98.41	2	262.397	2.896	2	1	3	CC[N@@H+]1CC[C@]2(CCC[NH+](Cc3ccc(C)o3)C2)C1
361823191	ZINC000136377406	high	1.62	-10.24	0	277.368	1.019	1	4	5	CN(C)Cc1cccc(NC(=O)CN2CCOCC2)c1
342087173	ZINC000625363507	ref	2.35	-15.04	0	281.381	1.236	2	4	5	CCc1nc(CNC(=O)[C@@H](C)[C@H]2CCC(=O)N2)cs1
361823644	ZINC000640340896	mid	1.35	-49.87	-1	292.364	1.35	2	3	3	CC(C)[C@H](NC(=O)N=c1[n-]sc2ccccc12)C(N)=O
214181830	ZINC000278480356	low	7.57	-40.58	1	320.443	2.832	2	5	4	O=C(Nc1nnc(-c2ccsc2)s1)[C@H]1CCC[N@@H+]1C1CC1
214181832	ZINC000278480356	low	7.1	-45.53	1	320.443	2.832	2	5	4	O=C(Nc1nnc(-c2ccsc2)s1)[C@H]1CCC[N@H+]1C1CC1
342594262	ZINC000364808358	mid	4.06	-7.72	0	279.384	1.249	0	4	3	CC(C)(C#N)CC(=O)N1CCN(C2CCOCC2)CC1
342594263	ZINC000616956684	ref	4.13	-15.55	0	254.374	1.699	2	2	6	CC(C)CC(CC(C)C)C(=O)N[C@@H]1CCNC1=O
214181837	ZINC000278481159	ref	5.02	-15.91	0	319.311	2.438	0	4	3	O=C(c1ccncc1F)N1CCC(Oc2ncccc2F)CC1
214181840	ZINC000278481472	ref	1.79	-14.45	0	312.416	2.022	0	6	3	C[C@@H]1CS(=O)(=O)CCN1Cc1cnc(-c2ccco2)s1
342594264	ZINC000616956315	ref	5.57	-10.5	0	299.411	1.583	1	4	10	O=C(COCC1CCCC1)N(CCOCCO)C1CCC1
342594265	ZINC000194285111	ref	2.55	-8.53	0	258.362	1.527	2	3	7	CC(C)OCCCNC(=O)NC[C@H]1CCCOC1
214181843	ZINC000278480871	ref	2.1	-12.91	0	322.409	1.589	3	5	6	C[C@H]1CN(c2ccc(NC(=O)NCCCCO)cn2)C[C@H](C)O1
282121651	ZINC000449152109	ref	5.72	-36.93	1	292.427	2.487	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@H]1c1cn[nH]c1
214181852	ZINC000278482339	ref	4.22	-11.38	0	315.373	2.678	0	5	3	Cc1nc(C)c(C(=O)N2CCC(Oc3ccncc3C)CC2)o1
197590519	ZINC000162774006	ref	2.63	-15.59	0	317.432	1.65	0	5	4	COC[C@H]1CCCN(C(=O)c2csc(S(C)(=O)=O)c2)C1
365630124	ZINC000576582571	high	4.32	-4.47	0	223.316	2.634	1	3	3	Cc1ccoc1CN[C@@H]1C[C@H](C)O[C@H](C)C1
365630129	ZINC000576580443	ref	3.73	-6.68	0	221.285	1.619	0	5	2	N#Cc1cncc(S[C@H]2CCCOC2)n1
214181855	ZINC000278482339	mid	4.68	-42.91	1	315.373	2.678	0	4	3	Cc1nc(C)c(C(=O)N2CCC(Oc3cc[nH+]cc3C)CC2)o1
214181860	ZINC000278481412	ref	6.36	-14.04	0	302.418	3.046	2	3	7	CC(C)Cn1ccc2c(C(=O)NC[C@@H](C)CCO)cccc21
214181864	ZINC000278480647	ref	6.96	-12.14	0	304.371	3.075	1	5	4	CC(=O)Nc1ccc(C)c(C(=O)OCc2cc(C)sn2)c1
214181868	ZINC000278481857	ref	8.25	-10.28	0	301.39	3.309	1	5	6	CCOC(=O)c1ccc(NCc2c(C)nn(CC)c2C)cc1
214181873	ZINC000278480515	ref	3.32	-51.69	1	308.245	1.429	1	3	6	C[C@@H](CC[S@](C)=O)[NH2+]Cc1c(Br)cnn1C
214181877	ZINC000278480515	mid	2.1	-15.47	0	308.245	1.429	1	4	6	C[C@@H](CC[S@](C)=O)NCc1c(Br)cnn1C
365630132	ZINC000576582825	ref	2.49	-111.87	2	243.376	-0.113	2	2	2	C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@H]1[NH3+]
197590525	ZINC000162765820	ref	0.76	-18.05	0	317.349	1.788	3	5	4	COc1cc(NC(=O)c2c(C)nn(C)c2C)ccc1NC(N)=O
398247992	ZINC000181789013	ref	6.82	-17.47	0	245.319	1.211	0	4	7	CCOC(=O)C[C@@H](C)N(C)C(=O)[C@H](C)OCC
398247995	ZINC000181789582	ref	8.02	-14.13	0	241.331	1.833	0	3	6	CCOC(=O)C[C@@H](C)N(C)C(=O)[C@@H](C)C1CC1
398249404	ZINC000100407048	ref	6.23	-40.18	-1	220.247	2.574	0	2	2	CC(C)c1cc(=O)n(-c2cccc(F)c2)[n-]1
398249405	ZINC000100407048	mid	6.33	-14.91	0	220.247	2.574	1	2	2	CC(C)c1cc(=O)n(-c2cccc(F)c2)[nH]1
398249406	ZINC000100408963	ref	8.34	-42.38	1	229.364	2.746	1	2	10	CCCCCCCC[NH2+]C[C@@H](C)C(=O)OC
398249408	ZINC000062372208	ref	2.57	-11.9	0	227.333	1.783	2	3	5	CC[C@@H](C)NC(=O)NCCc1cscn1
398249409	ZINC000100407085	ref	5.25	-31.58	-1	246.163	2.481	0	2	1	O=c1cc(C(F)(F)F)[n-]n1-c1ccc(F)cc1
178299054	ZINC000237128799	ref	2.29	-63.51	1	351.472	1.242	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1
398249412	ZINC000190671307	ref	2.0	-7.51	0	243.303	0.461	2	4	4	COC(=O)C[C@H](C)C(=O)N[C@@H]1C[C@H](O)C1(C)C
178299058	ZINC000237131204	ref	8.0	-47.87	1	373.497	1.905	1	3	6	C[NH2+]C1CCN(C(=O)[C@H]2CCCN(C(=O)CCOc3ccccc3)C2)CC1
398249414	ZINC000100408967	ref	8.34	-42.4	1	229.364	2.746	1	2	10	CCCCCCCC[NH2+]C[C@H](C)C(=O)OC
398249415	ZINC000100407038	ref	6.99	-14.38	0	236.702	3.233	1	2	3	CCCc1cc(=O)n(-c2cccc(Cl)c2)[nH]1
398249416	ZINC000100407038	mid	6.88	-40.08	-1	236.702	3.233	0	2	3	CCCc1cc(=O)n(-c2cccc(Cl)c2)[n-]1
398249417	ZINC000100407029	ref	6.99	-11.8	0	236.702	3.233	1	2	3	CCCc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1
178299061	ZINC000237134448	ref	8.01	-64.02	-1	361.373	1.942	0	6	4	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1
343994870	ZINC000079946393	ref	6.92	-28.15	0	286.356	2.344	2	3	2	O=C(Nc1c[nH]ccc1=O)[C@H]1SCCc2ccccc21
343994873	ZINC000079943852	ref	4.39	-10.32	0	276.38	2.186	1	3	5	CCCCNC(=O)[C@H](C)N1CCOc2ccccc2C1
343994875	ZINC000079943852	low	6.53	-36.23	1	276.38	2.186	2	2	5	CCCCNC(=O)[C@H](C)[N@@H+]1CCOc2ccccc2C1
398249418	ZINC000100407029	mid	6.89	-38.63	-1	236.702	3.233	0	2	3	CCCc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1
398249420	ZINC000100413421	ref	5.89	-36.55	1	212.381	2.641	1	1	7	CCCCCCCCN1CC[NH2+]C[C@@H]1C
398249421	ZINC000100413421	mid	6.61	-30.9	1	212.381	2.641	2	1	7	CCCCCCCC[N@@H+]1CCNC[C@@H]1C
398249422	ZINC000100413421	mid	6.73	-29.34	1	212.381	2.641	2	1	7	CCCCCCCC[N@H+]1CCNC[C@@H]1C
398249423	ZINC000286338729	ref	0.69	-4.97	0	212.318	1.488	1	4	3	CN(Cc1nccs1)[C@@H]1CCC[C@H]1O
398249425	ZINC000286338729	mid	2.76	-32.13	1	212.318	1.488	2	3	3	C[N@H+](Cc1nccs1)[C@@H]1CCC[C@H]1O
365630127	ZINC000354696145	ref	3.93	-9.63	0	297.399	1.629	1	5	9	CCOC[C@H](NC(=O)c1cn(CCOC)nc1C)C(C)C
365630131	ZINC000354696182	ref	4.74	-10.15	0	293.319	1.22	1	5	4	COC(=O)C[C@@]1(NC(=O)c2occ3c2CCC3)CCOC1
342594266	ZINC000616962758	ref	2.62	-17.77	0	297.152	1.376	2	2	2	Cc1c(Br)cccc1C(=O)N[C@@H]1CCNC1=O
178299065	ZINC000237137359	ref	7.48	-93.56	2	366.509	1.963	2	2	7	C[N@H+](CCN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1)Cc1ccccc1
365630135	ZINC000354697679	ref	4.36	-18.06	0	295.404	1.71	1	3	5	Cc1ccc(OCCC(=O)N[C@H]2CC[S@@](=O)C2)cc1C
365630138	ZINC000354696169	ref	2.48	-8.63	0	273.348	1.562	2	3	5	C[C@@](O)(C(=O)NCCC1(F)CCC1)C1CCOCC1
299072100	ZINC000459274707	ref	6.97	-9.52	0	302.365	2.773	1	2	2	O=C(NC1CCC(C(F)F)CC1)N1CCO[C@@H]2CCC[C@@H]21
185087308	ZINC000096071602	low	9.89	-97.45	2	262.397	2.896	2	1	3	CC[N@H+]1CC[C@]2(CCC[NH+](Cc3ccc(C)o3)C2)C1
342594267	ZINC000616956656	ref	3.4	-19.68	0	274.345	1.828	2	3	2	Cc1ccc2c(C(=O)N[C@@H]3CCNC3=O)csc2c1
299072102	ZINC000459275575	ref	8.63	-9.58	0	310.438	2.94	1	3	5	CCC[C@@H](NC(=O)N1CCC[C@@H](C(=O)OC)C1)C1CCCC1
299072106	ZINC000459275702	ref	5.92	-8.0	0	312.417	2.892	0	5	4	c1ccc(-c2nn(C3CCCC3)cc2CN2CCOCC2)nc1
290623535	ZINC000335981794	ref	6.52	-10.03	0	259.353	2.548	1	2	1	C[C@H]1CC[C@@]2(CCN(C(=O)Nc3ccncc3)C2)C1
365630142	ZINC000354697680	ref	4.27	-15.94	0	295.404	1.71	1	3	5	Cc1ccc(OCCC(=O)N[C@@H]2CC[S@](=O)C2)cc1C
178299066	ZINC000237137359	mid	7.49	-93.63	2	366.509	1.963	2	2	7	C[N@@H+](CCN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1)Cc1ccccc1
178299069	ZINC000237137359	mid	7.13	-46.16	1	366.509	1.963	2	3	7	C[N@H+](CCN1CCN(C(=O)[C@H](N)c2ccccc2)CC1)Cc1ccccc1
178299072	ZINC000237137359	mid	7.14	-46.13	1	366.509	1.963	2	3	7	C[N@@H+](CCN1CCN(C(=O)[C@H](N)c2ccccc2)CC1)Cc1ccccc1
365630146	ZINC000354696716	ref	5.81	-12.35	0	267.292	1.363	1	5	3	Cc1ccc2nc(CNC(=O)c3cncnc3)cn2c1
365639420	ZINC000336555889	low	8.18	-101.74	2	265.426	2.369	2	2	2	Cc1ncc(C[NH+]2CC[C@@]3(CCC[N@H+](C)C3)C2)s1
185087310	ZINC000096071602	low	9.87	-96.84	2	262.397	2.896	2	1	3	CC[NH+]1CC[C@]2(CCC[N@H+](Cc3ccc(C)o3)C2)C1
342594268	ZINC000616960055	ref	2.8	-22.19	0	292.335	1.101	2	4	5	COc1ccc(C(=O)N[C@H]2CCNC2=O)c(OC(C)C)c1
299072110	ZINC000459275702	low	8.7	-33.45	1	312.417	2.892	1	4	4	c1ccc(-c2nn(C3CCCC3)cc2C[NH+]2CCOCC2)nc1
136228985	ZINC000290997748	ref	5.34	-10.85	0	243.306	1.506	1	2	3	C#Cc1ccccc1CC(=O)N[C@]1(C)CCOC1
349534153	ZINC000594966898	ref	6.75	-50.94	1	254.337	2.615	2	2	4	Cc1n[nH]cc1C[NH2+]C(C)(C)c1cccc(C#N)c1
190493038	ZINC000269414704	ref	3.92	-19.06	0	299.327	-0.272	1	5	6	COC(=O)CN(C)C(=O)CCCN1C(=O)NC(C)(C)C1=O
282121652	ZINC000263107936	ref	9.17	-38.81	0	299.411	2.445	1	4	8	CCC(CC)(C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)C(=O)[O-]
185087311	ZINC000096071602	low	9.75	-96.08	2	262.397	2.896	2	1	3	CC[NH+]1CC[C@]2(CCC[N@@H+](Cc3ccc(C)o3)C2)C1
185087313	ZINC000096072094	ref	4.67	-10.02	0	255.358	1.686	0	3	4	COCC[C@@H]1CO[C@@]2(CCN(C(=O)C(C)C)C2)C1
185087316	ZINC000096070932	ref	7.96	-45.37	1	299.374	1.966	1	3	3	Cn1cccc1C(=O)N1CC2(CC[N@H+](Cc3ccoc3)C2)C1
214181845	ZINC000337613953	ref	1.88	-17.21	0	284.328	0.572	1	3	7	CCN(CC)S(=O)(=O)CC(=O)NC1(C(F)F)CC1
185087318	ZINC000096070932	mid	8.0	-46.01	1	299.374	1.966	1	3	3	Cn1cccc1C(=O)N1CC2(CC[N@@H+](Cc3ccoc3)C2)C1
185087319	ZINC000096070932	mid	5.54	-11.75	0	299.374	1.966	0	4	3	Cn1cccc1C(=O)N1CC2(CCN(Cc3ccoc3)C2)C1
185087321	ZINC000096070845	ref	6.82	-17.9	0	298.35	0.563	0	6	2	Cn1cc(C(=O)N2CC3(CCN(c4ncccn4)C3)C2)cn1
282121658	ZINC000496041293	ref	6.6	-45.47	1	314.47	3.037	1	3	7	CCC(CC)(C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)OC
282121668	ZINC000375719854	ref	7.75	-32.79	1	283.412	2.369	1	3	6	CCC(CC)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)OC
290622217	ZINC000342759161	ref	7.39	-13.16	0	348.402	3.184	1	3	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)C(=O)NC3=O)C1
342594269	ZINC000616960024	ref	3.63	-19.1	0	298.264	1.212	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1
290623536	ZINC000120480122	ref	4.94	-9.66	0	267.373	1.296	1	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)NCC(=O)N(C)C)C2)C1
299072101	ZINC000354601911	high	-3.83	-48.71	-1	328.375	0.082	2	6	5	C[N-]S(=O)(=O)c1ccc(C(=O)NCc2csc(=O)[nH]2)cn1
185087327	ZINC000096070927	ref	2.44	-12.0	0	298.408	1.527	0	4	5	CCCS(=O)(=O)N1CC2(CCN(Cc3ccoc3)C2)C1
185087329	ZINC000096070927	mid	4.94	-53.48	1	298.408	1.527	1	3	5	CCCS(=O)(=O)N1CC2(CC[N@H+](Cc3ccoc3)C2)C1
342594270	ZINC000616956685	ref	4.14	-15.63	0	254.374	1.699	2	2	6	CC(C)CC(CC(C)C)C(=O)N[C@H]1CCNC1=O
136228986	ZINC000290997871	ref	3.89	-9.36	0	213.231	1.469	1	2	4	C#C[C@H](C)[NH2+]Cc1cn(C)nc1C(F)F
214181849	ZINC000337611680	ref	8.64	-9.3	0	294.398	3.382	1	2	4	C[C@]1(NC(=O)CCc2ccccn2)CCCc2ccccc21
342087174	ZINC000625363823	ref	4.38	-8.02	0	289.335	1.892	0	5	6	COc1nc(C(=O)N(C)CCN(C)c2ccccc2)co1
342087175	ZINC000625363710	ref	4.11	-9.13	0	260.403	1.838	0	2	2	CC1(C)CCC(C)(C)N(S(=O)(=O)N2CCC2)C1
342087176	ZINC000609025032	ref	8.07	-18.99	0	286.331	1.952	1	4	4	COC(=O)c1cn(CC(=O)N[C@@H]2C[C@@H]2C)c2ccccc12
342087177	ZINC000625362756	ref	3.45	-36.75	1	291.399	1.511	3	4	5	CNc1cnc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cn1
214181854	ZINC000337612885	ref	8.21	-6.88	0	264.413	3.445	2	1	5	C[C@H](NC(=O)NCC1(C2CC2)CCC1)C1CCCC1
214181858	ZINC000337613806	ref	2.18	-14.53	0	291.307	-0.036	2	5	6	CN(CCOCCO)C(=O)C(=O)Nc1cccc(C#N)c1
306234624	ZINC000557909426	ref	0.55	-16.57	0	346.424	1.161	3	4	9	CC[C@](C)(CO)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1
342087178	ZINC000625362756	high	1.24	-8.16	0	291.399	1.511	2	5	5	CNc1cnc(C(=O)NCCN2[C@H](C)CCC[C@H]2C)cn1
214181865	ZINC000337612586	ref	2.95	-43.08	1	288.388	-0.188	2	4	9	CCN(CCOCCO)C(=O)[C@@H](C)C[NH+]1CCOCC1
214181866	ZINC000337612586	mid	0.97	-13.62	0	288.388	-0.188	1	5	9	CCN(CCOCCO)C(=O)[C@@H](C)CN1CCOCC1
214181871	ZINC000337613571	ref	3.19	-19.38	0	293.302	0.66	2	6	5	CN(C)c1ccc(C(=O)NCCc2nc(N)no2)c(F)c1
290622218	ZINC000342759161	high	5.58	-48.25	-1	348.402	3.184	0	3	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccc3c(c2)C(=O)[N-]C3=O)C1
214181878	ZINC000337613978	ref	2.59	-12.86	0	277.368	0.961	2	4	4	CC(C)[C@@H](O)CC(=O)N1CCN[C@@H](c2cccnc2)C1
342087179	ZINC000625363505	ref	2.06	-14.83	0	281.381	1.236	2	4	5	CCc1nc(CNC(=O)[C@H](C)[C@H]2CCC(=O)N2)cs1
342087180	ZINC000625366066	ref	2.92	-7.39	0	260.341	1.939	0	5	6	CCn1ccc(CN(C)Cc2cncc(OC)n2)c1
342087181	ZINC000625366066	mid	5.91	-38.91	1	260.341	1.939	1	4	6	CCn1ccc(C[N@H+](C)Cc2cncc(OC)n2)c1
342087182	ZINC000625366066	mid	5.24	-39.03	1	260.341	1.939	1	4	6	CCn1ccc(C[N@@H+](C)Cc2cncc(OC)n2)c1
342087183	ZINC000625363651	ref	6.75	-6.82	0	290.338	1.867	1	2	4	CN(Cc1ccc(F)cc1)C(=O)C(=O)NCC1CC=CC1
342087184	ZINC000625363061	ref	6.04	-6.21	0	290.363	1.79	1	3	4	CN(Cc1ccco1)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
214181881	ZINC000337613978	low	3.7	-55.58	1	277.368	0.961	2	3	4	CC(C)[C@@H](O)CC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1
343994871	ZINC000139494240	ref	4.99	-40.15	1	193.212	2.327	1	0	0	FC(F)(F)[C@@H]1CC[C@H]2CC[NH2+][C@H]2C1
349534155	ZINC000594966898	mid	5.67	-8.38	0	254.337	2.615	2	3	4	Cc1n[nH]cc1CNC(C)(C)c1cccc(C#N)c1
342594271	ZINC000616956343	ref	3.62	-7.87	0	285.384	1.193	1	4	10	COCC1(CC(=O)N(CCOCCO)C2CCC2)CC1
365630137	ZINC000576582825	high	1.26	-56.52	1	243.376	-0.113	2	3	2	C[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)C[C@H]1[NH3+]
185087331	ZINC000096070927	mid	4.91	-53.44	1	298.408	1.527	1	3	5	CCCS(=O)(=O)N1CC2(CC[N@@H+](Cc3ccoc3)C2)C1
185087333	ZINC000096071917	ref	8.41	-52.58	1	287.407	2.449	1	2	3	CCN1C(=O)CC[C@]12CCC[N@H+](Cc1ccncc1)CC2
185087335	ZINC000096071917	mid	8.94	-52.34	1	287.407	2.449	1	2	3	CCN1C(=O)CC[C@]12CCC[N@@H+](Cc1ccncc1)CC2
342594272	ZINC000616956749	ref	3.71	-14.45	0	266.385	1.988	2	2	4	CC(C)(CC(=O)N[C@H]1CCNC1=O)C1CCCCC1
185087336	ZINC000096071917	high	6.16	-9.93	0	287.407	2.449	0	3	3	CCN1C(=O)CC[C@]12CCCN(Cc1ccncc1)CC2
290622219	ZINC000288506741	ref	8.27	-9.04	0	283.375	3.034	0	3	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cnn(C)c2)C1
185087340	ZINC000096071698	ref	5.46	-16.27	0	287.363	1.699	0	3	2	CCN1C[C@@]2(CCCCN2C(=O)c2cccnc2)CC1=O
282121653	ZINC000533467311	low	6.09	-35.76	1	288.355	1.325	2	3	4	CN(Cc1cc[nH]n1)C(=O)NC[C@H]1CCCn2cc[nH+]c21
185087343	ZINC000096070837	ref	4.91	-12.68	0	287.363	0.861	1	3	3	CC(=O)NCC(=O)N1CC2(CCN(c3ccccc3)C2)C1
185087346	ZINC000096072098	ref	4.43	-12.17	0	279.336	1.937	0	4	4	COCC[C@H]1CO[C@]2(CCN(C(=O)c3ccco3)C2)C1
185087347	ZINC000096071397	ref	9.39	-38.25	1	286.419	3.004	1	1	1	Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CCC[N@H+]3C)C2)c1
185087349	ZINC000096071397	mid	9.63	-38.75	1	286.419	3.004	1	1	1	Cc1cc(C)cc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3C)C2)c1
185087351	ZINC000096071981	ref	6.85	-13.42	0	299.374	2.214	0	4	1	C[C@@H]1CO[C@@]2(CCN(C(=O)c3nn(C)c4ccccc34)C2)C1
136228987	ZINC000290997871	mid	3.89	-9.36	0	213.231	1.469	1	3	4	C#C[C@H](C)NCc1cn(C)nc1C(F)F
185087354	ZINC000096070900	ref	3.46	-51.69	1	288.413	0.38	1	3	4	CCS(=O)(=O)N1CCC2(C1)C[NH+](C[C@H]1CCOC1)C2
185087355	ZINC000096070900	mid	0.31	-11.18	0	288.413	0.38	0	4	4	CCS(=O)(=O)N1CCC2(CN(C[C@H]3CCOC3)C2)C1
185087357	ZINC000096071988	ref	3.83	-5.1	0	250.317	2.222	0	3	2	C[C@H]1CO[C@@]2(CCN(Cc3ccncc3F)C2)C1
185087359	ZINC000096071988	mid	6.49	-35.37	1	250.317	2.222	1	2	2	C[C@H]1CO[C@@]2(CC[N@H+](Cc3ccncc3F)C2)C1
136228988	ZINC000290989227	ref	6.47	-9.56	0	208.305	1.84	1	1	3	C#CCN(C)C(=O)N[C@H](C)C1CCCC1
185087360	ZINC000096071988	mid	6.32	-37.61	1	250.317	2.222	1	2	2	C[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccncc3F)C2)C1
365630140	ZINC000576582931	ref	2.39	-51.93	1	247.342	1.052	3	2	6	[NH3+]CCCCNC(=O)Cc1ccc2c(c1)NCC2
365630144	ZINC000576581506	ref	1.8	-52.38	1	235.331	1.342	3	2	7	CC[C@H](Nc1ccccc1)C(=O)NCCC[NH3+]
230722398	ZINC000425403232	ref	7.35	-18.8	0	323.4	2.406	2	4	5	N#C[C@H]1CC[C@@H](NC(=O)NCCc2ccc(-n3cccn3)cc2)C1
282121655	ZINC000533467060	ref	3.52	-9.17	0	253.302	1.03	2	4	2	Cc1cc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)no1
282121662	ZINC000533467058	ref	3.45	-10.03	0	253.302	1.03	2	4	2	Cc1cc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)no1
230722401	ZINC000425402772	ref	4.94	-14.91	0	301.346	2.468	2	4	3	C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc2c(c1)OCO2
365630148	ZINC000576584203	ref	8.21	-37.38	1	216.328	2.671	1	1	3	CC1(C[N@@H+]2CC[C@@H](c3cccnc3)C2)CC1
365630152	ZINC000576584203	mid	8.38	-37.55	1	216.328	2.671	1	1	3	CC1(C[N@H+]2CC[C@@H](c3cccnc3)C2)CC1
365630154	ZINC000576580889	ref	2.67	-44.06	1	221.26	0.638	2	3	3	COc1cccnc1NC(=O)[C@@H]1CC[NH2+]C1
365630160	ZINC000576584090	ref	4.0	-107.77	2	232.78	2.617	2	1	5	C[C@H]([NH3+])C[C@@H](C)[NH2+]Cc1sccc1Cl
365630163	ZINC000576584090	mid	4.46	-29.98	1	232.78	2.617	2	2	5	C[C@H]([NH3+])C[C@@H](C)NCc1sccc1Cl
365630167	ZINC000576581631	ref	-0.99	-19.11	0	241.335	0.097	2	3	5	CC[C@@H](C)NC(=O)[C@H](C)N1CC(C)(C(N)=O)C1
365630174	ZINC000576581631	mid	2.05	-42.38	1	241.335	0.097	3	2	5	CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1
365630175	ZINC000576584092	ref	4.22	-113.82	2	232.78	2.617	2	1	5	C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1sccc1Cl
197590522	ZINC000290087541	ref	3.55	-10.16	0	254.334	0.977	0	6	4	C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1cnn(C)n1
365630176	ZINC000576584092	mid	3.03	-44.36	1	232.78	2.617	2	2	5	C[C@H]([NH3+])C[C@H](C)NCc1sccc1Cl
230722411	ZINC000425401616	ref	9.01	-31.54	1	302.418	2.113	1	3	5	COC(=O)[C@H](CCN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1
282121667	ZINC000533465708	ref	5.75	-18.72	0	285.409	1.911	0	3	5	CC1=C(C(=O)N(C2CC2)[C@H](C)CS(C)(=O)=O)CCC1
178305747	ZINC000223769154	low	7.37	-26.84	1	215.3	3.042	1	2	1	Cc1cc2[nH+]cn(C3CCCC3)c2cc1N
343994872	ZINC000248555545	ref	4.07	-34.11	1	280.334	1.86	2	2	4	O[C@H](CN1CCC[C@H]1C[NH+]1CCCCC1)C(F)(F)F
230722412	ZINC000425401616	mid	8.59	-32.9	1	302.418	2.113	1	3	5	COC(=O)[C@H](CCN1CC[N@H+]2CCC[C@H]2C1)c1ccccc1
282121673	ZINC000533465322	ref	2.09	-14.19	0	252.318	1.045	2	4	2	C[C@@H](O)[C@H]1CCCN(C(=O)Nc2cnn(C)c2)C1
365630177	ZINC000576580413	ref	-0.87	-6.46	0	231.292	0.067	2	4	5	COC[C@H](NC(=O)C(C)(C)O)[C@H]1CCCO1
365630178	ZINC000576581224	ref	2.23	-97.37	2	237.347	0.309	2	1	2	[NH3+][C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CCC1
398247999	ZINC000651457827	ref	8.4	-6.98	0	250.386	3.151	1	1	1	C[C@@H]1CCCCN(C(=O)NC2CC3(CCC3)C2)C1
398248001	ZINC000651457575	ref	6.41	-9.48	0	286.375	3.47	1	4	7	COc1cccc2c(N[C@@H](C)COCC3CC3)ccnc12
398248003	ZINC000651457575	low	6.9	-26.06	1	286.375	3.47	1	3	7	COc1cccc2c(N[C@@H](C)COCC3CC3)cc[nH+]c12
398248004	ZINC000651457750	ref	6.18	-8.2	0	295.308	3.474	2	2	3	Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCc2cc(F)c(F)c(F)c21
398248006	ZINC000651457750	mid	7.17	-47.55	1	295.308	3.474	2	1	3	Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21
398248008	ZINC000651458650	ref	8.76	-7.06	0	271.364	3.165	1	4	6	Cc1ccc2ncnc(N[C@H](C)COCC3CC3)c2c1
398248009	ZINC000651458065	ref	7.85	-9.1	0	274.339	3.023	1	3	6	C[C@H](COCC1CC1)Nc1ccc2ccc(F)cc2n1
178299075	ZINC000237137359	high	4.8	-8.36	0	366.509	1.963	1	4	7	CN(CCN1CCN(C(=O)[C@H](N)c2ccccc2)CC1)Cc1ccccc1
398248011	ZINC000651458444	ref	8.25	-8.18	0	262.397	3.151	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC(C2CCCC2)C1
398248013	ZINC000651458735	ref	8.75	-6.34	0	291.42	3.481	1	5	7	CCc1cc2c(N[C@@H](C)COCC3CC3)ncnc2s1
398248015	ZINC000651457994	ref	8.13	-7.83	0	294.439	3.167	1	2	4	COCC[C@H]1CCCCN(C(=O)NC2CC3(CCC3)C2)C1
192339486	ZINC000081923489	ref	3.47	-42.44	1	313.419	1.626	1	4	6	CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(OC)c1
178299078	ZINC000237138213	ref	5.27	-64.72	1	360.863	1.875	1	4	4	COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1
178299082	ZINC000237132392	ref	4.23	-51.6	1	367.515	1.587	1	4	6	CN1CCCc2ccc(S(=O)(=O)N3CCC(OCCC[NH3+])CC3)cc21
178299087	ZINC000237137879	ref	9.24	-46.27	1	371.51	1.854	1	5	3	CCc1nsc(N2CCCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)CC2)n1
178299091	ZINC000237137879	mid	7.91	-11.04	0	371.51	1.854	1	6	3	CCc1nsc(N2CCCN(C(=O)[C@H]3Cc4ccccc4CN3)CC2)n1
178299094	ZINC000237137481	ref	7.13	-52.84	1	357.376	1.989	1	2	5	C[NH2+]CCCC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
178299096	ZINC000237125601	ref	5.12	-56.52	1	373.478	1.568	1	3	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](C[NH3+])c1ccccc1)CC2
136228989	ZINC000292811666	ref	6.43	-5.4	0	207.273	1.556	0	2	6	C=CCN(CC=C)C(=O)C1(C(C)=O)CC1
192339489	ZINC000081923489	high	2.62	-10.07	0	313.419	1.626	1	5	6	CCCN[C@@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(OC)c1
398248017	ZINC000651457687	ref	9.05	-7.42	0	250.386	3.151	1	1	5	CCN(CCC1CC1)C(=O)NC1CC2(CCC2)C1
343994874	ZINC000139501406	ref	1.58	-4.42	0	156.225	1.47	1	2	0	O[C@H]1COC2(CCCCC2)C1
343994877	ZINC000139416629	ref	6.23	-34.21	1	145.206	2.838	0	0	1	CC[P+]1(C)CCCCC1
343994880	ZINC000139478137	ref	5.93	-11.13	0	188.234	1.224	0	4	3	Cc1nnnn1CCc1ccccc1
343994884	ZINC000139455545	ref	3.05	-7.79	0	170.256	0.954	1	2	3	CCCN1CN[C@@](C)(CC)C1=O
343994887	ZINC000139455895	ref	0.21	-13.11	0	189.24	0.1	1	4	2	Cc1cc(NS(C)(=O)=O)n(C)n1
282121657	ZINC000449151744	ref	8.0	-88.22	2	297.487	2.249	3	1	9	CCC[NH2+][C@H](C)C(=O)NCC1CC[NH+](CCC(C)C)CC1
343994891	ZINC000139436034	ref	3.14	-5.27	0	170.158	1.424	1	1	0	OC1Cc2cc(F)c(F)cc2C1
214181862	ZINC000293528565	ref	-0.28	-16.49	0	365.814	0.911	3	4	6	Cc1cc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c(Cl)cc1F
342087185	ZINC000617887393	ref	6.05	-40.57	1	289.379	1.398	3	2	3	CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1
214181870	ZINC000293526822	ref	3.37	-19.37	0	355.395	0.342	1	5	3	Cc1nc(S(=O)(=O)N2CCN(C(=O)c3cc(F)c[nH]3)CC2)cn1C
197590543	ZINC000290087754	ref	6.48	-13.48	0	275.283	2.14	1	3	1	C[C@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)CCC1=O
342087186	ZINC000617887393	mid	6.58	-39.96	1	289.379	1.398	3	2	3	CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1
230235985	ZINC000336743136	ref	-6.75	-12.28	0	253.305	-1.444	4	7	5	NS(=O)(=O)c1cnc(NC(CO)CO)s1
342087187	ZINC000617887393	mid	3.7	-6.1	0	289.379	1.398	2	3	3	CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCCN(C)C1
342087188	ZINC000609024411	ref	6.1	-12.84	0	263.293	1.377	1	4	5	COC(=O)COc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1
342087189	ZINC000076485185	ref	7.86	-39.78	1	288.395	1.739	1	3	3	CCc1ncncc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1
230235999	ZINC000336789123	ref	-3.64	-14.69	0	277.346	-1.361	2	4	3	NC(=O)[C@@]1(O)CCN(S(=O)(=O)N2CCCCC2)C1
230236006	ZINC000334010267	ref	-1.83	-18.55	0	259.306	-1.086	3	4	5	CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)NCCO)O1
230236013	ZINC000334512035	ref	1.48	-10.18	0	271.342	-1.091	1	4	1	CS[C@H]1CCN(C(=O)C(=O)N2CCNC(=O)C2)C1
342087190	ZINC000076485185	high	5.45	-7.05	0	288.395	1.739	0	4	3	CCc1ncncc1C(=O)N1CCC[C@H](N2CCCC2)C1
342087191	ZINC000625363391	ref	4.94	-37.09	1	266.385	1.387	2	2	6	CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C1CC1
342087192	ZINC000625363391	mid	5.27	-37.29	1	266.385	1.387	2	2	6	CCO[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O)C1CC1
342087193	ZINC000625366099	ref	2.42	-11.42	0	298.333	1.566	2	3	4	C[C@@H](NC(=O)CN1C[C@@H](O)CC(F)(F)C1)c1ccccc1
342087194	ZINC000625363177	ref	3.15	-39.61	1	278.352	1.151	3	3	5	COCC[N@@H+]1CC[C@H](NC(=O)c2c(C)cccc2O)C1
178299083	ZINC000034432714	mid	9.43	-41.74	1	228.339	3.044	1	1	2	Cc1cc2ccccc2n1C[C@@H]1CCC[N@@H+]1C
214181876	ZINC000293532044	ref	5.49	-20.25	0	367.413	0.998	1	7	6	Cc1c(C(=O)N(C)[C@H](CC(N)=O)c2ccccc2)nnn1-c1ccn(C)n1
214181880	ZINC000293529318	ref	2.98	-11.04	0	363.414	0.655	2	6	7	CCCN1Cc2cccc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c2C1
178299085	ZINC000063105659	ref	6.73	-7.8	0	242.322	3.134	1	3	3	Cc1cc2ccccc2nc1NC[C@H]1CCCO1
178299089	ZINC000063105659	low	7.07	-24.11	1	242.322	3.134	1	2	3	Cc1cc2ccccc2[nH+]c1NC[C@H]1CCCO1
398248020	ZINC000651457794	ref	8.07	-7.11	0	284.403	3.394	2	1	4	O=C(NC1CC2(CCC2)C1)NC1(Cc2ccccc2)CC1
214181884	ZINC000293529318	mid	5.72	-46.69	1	363.414	0.655	3	5	7	CCC[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c2C1
214181888	ZINC000293529318	mid	5.64	-47.3	1	363.414	0.655	3	5	7	CCC[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c2C1
398248022	ZINC000651458736	ref	8.75	-6.3	0	291.42	3.481	1	5	7	CCc1cc2c(N[C@H](C)COCC3CC3)ncnc2s1
178299102	ZINC000063105860	ref	8.29	-38.61	1	243.354	2.905	2	2	4	Cc1cc2ccccc2nc1NC[C@@H](C)[NH+](C)C
178299105	ZINC000063105929	ref	5.8	-10.25	0	238.294	2.878	2	3	3	Cc1cc2ccccc2nc1NCc1cc[nH]n1
214181892	ZINC000293528972	ref	3.86	-49.35	1	364.402	0.288	4	5	8	O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)C[NH+]1CCCCC1
398248024	ZINC000651458221	ref	7.39	-7.07	0	283.375	3.371	1	4	7	C[C@@H](COCC1CC1)Nc1cncc(-c2ccccc2)n1
178299109	ZINC000063105929	low	6.14	-26.54	1	238.294	2.878	2	2	3	Cc1cc2ccccc2[nH+]c1NCc1cc[nH]n1
214181896	ZINC000293528972	high	1.56	-13.64	0	364.402	0.288	3	6	8	O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@H](CO)CN1CCCCC1
214181900	ZINC000293534520	ref	6.6	-45.83	1	363.418	0.09	2	6	4	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1
214181906	ZINC000293537956	ref	5.32	-44.14	1	374.434	0.872	1	5	5	COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](C[NH+](C)C)C2)c(F)cc1C
230236028	ZINC000336817522	ref	1.18	-51.94	1	294.373	-1.124	2	5	5	COC(=O)[C@](C)(O)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1
230236031	ZINC000336817522	mid	1.24	-46.28	1	294.373	-1.124	2	5	5	COC(=O)[C@](C)(O)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1
178299117	ZINC000063105268	ref	8.94	-51.47	-1	244.294	2.454	0	4	4	Cc1cc2ccccc2nc1N(C)CCC(=O)[O-]
178299121	ZINC000063105268	low	9.46	-43.46	0	244.294	2.454	0	3	4	Cc1cc2ccccc2[nH+]c1N(C)CCC(=O)[O-]
219047738	ZINC000097681786	ref	10.22	-57.86	-1	327.344	1.859	0	8	6	Cc1ccc(-c2nc(C3(Cn4ccnc4)CC3)n(CC(=O)[O-])n2)o1
197590528	ZINC000162764989	ref	6.89	-10.39	0	302.418	3.396	2	2	5	O=C(NC1CCCC1)N[C@@H](C[C@@H]1CCOC1)c1ccccc1
342594273	ZINC000616956704	ref	2.98	-21.97	0	284.315	1.467	2	3	3	COc1ccc2ccc(C(=O)N[C@H]3CCNC3=O)cc2c1
342594274	ZINC000616960027	ref	3.56	-20.44	0	298.264	1.212	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1
342594275	ZINC000616960026	ref	3.63	-18.11	0	298.264	1.212	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1
365630149	ZINC000354696716	low	6.26	-35.76	1	267.292	1.363	1	4	3	Cc1ccc2[nH+]c(CNC(=O)c3cncnc3)cn2c1
290622223	ZINC000287975898	ref	8.47	-7.73	0	270.332	3.288	0	3	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2ccon2)C1
365630153	ZINC000354697147	ref	6.78	-43.77	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C
365630156	ZINC000354697147	mid	6.74	-43.04	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C
365630159	ZINC000354697147	high	3.74	-7.5	0	290.407	1.64	2	3	5	CC(C)[C@H](O)C(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C
136228990	ZINC000137049986	ref	7.44	-12.12	0	243.31	0.756	0	3	5	C#CCN(CC#C)C(=O)CCc1cnn(C)c1C
365630162	ZINC000354697027	ref	7.26	-10.88	0	293.319	1.54	1	5	6	COC(=O)Cc1ccccc1NC(=O)C[C@@H](C)C(=O)OC
342594276	ZINC000616962757	ref	2.62	-17.49	0	297.152	1.376	2	2	2	Cc1c(Br)cccc1C(=O)N[C@H]1CCNC1=O
342594277	ZINC000616959334	ref	2.98	-19.48	0	296.754	1.286	2	3	5	CCOc1c(Cl)cccc1CC(=O)N[C@@H]1CCNC1=O
365630166	ZINC000354697146	ref	6.77	-44.8	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C
342594278	ZINC000616956733	ref	3.01	-21.74	0	292.335	1.102	2	4	6	CCCOc1ccc(C(=O)N[C@H]2CCNC2=O)c(OC)c1
342594279	ZINC000616960039	ref	3.08	-20.48	0	282.727	1.112	2	3	4	C[C@H](Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCNC1=O
214181879	ZINC000053398922	ref	5.9	-59.0	1	331.416	1.098	2	4	6	CN(C)C(=O)C1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1
342594280	ZINC000590778294	ref	5.56	-49.32	1	268.361	1.365	1	5	7	CCC(C)(C)[C@@H](C)[NH2+]Cc1cn(CC(=O)OC)nn1
365630170	ZINC000354697146	mid	6.78	-43.92	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C
342594281	ZINC000590778294	high	4.69	-14.26	0	268.361	1.365	1	6	7	CCC(C)(C)[C@@H](C)NCc1cn(CC(=O)OC)nn1
214181882	ZINC000278481831	ref	3.85	-10.05	0	321.768	1.251	0	6	2	Cn1cc([C@]2(C)CN(C(=O)c3cnc(Cl)cn3)CCO2)cn1
214181885	ZINC000278482162	ref	7.08	-9.97	0	318.396	3.003	1	5	6	CCOc1ccc(CN[C@@H]2CCCn3nc(CC)nc32)cc1F
214181889	ZINC000278482162	low	8.61	-50.09	1	318.396	3.003	1	4	6	CCOc1ccc(C[NH2+][C@@H]2CCCn3nc(CC)nc32)cc1F
214181893	ZINC000278480740	ref	7.92	-9.52	0	309.362	3.146	0	5	7	COC[C@@H](OC(=O)CCc1ccc(F)cc1)c1nccs1
342594282	ZINC000194285092	ref	2.55	-8.54	0	258.362	1.527	2	3	7	CC(C)OCCCNC(=O)NC[C@@H]1CCCOC1
342087195	ZINC000625363177	mid	2.91	-39.73	1	278.352	1.151	3	3	5	COCC[N@H+]1CC[C@H](NC(=O)c2c(C)cccc2O)C1
342087196	ZINC000625363177	mid	0.38	-8.83	0	278.352	1.151	2	4	5	COCCN1CC[C@H](NC(=O)c2c(C)cccc2O)C1
349534156	ZINC000602430059	high	5.64	-5.64	0	238.331	2.423	1	3	7	CCCN(CC)Cc1ccc(C(=O)OCC)[nH]1
342087197	ZINC000625363177	high	1.14	-50.41	-1	278.352	1.151	1	4	5	COCCN1CC[C@H](NC(=O)c2c(C)cccc2[O-])C1
342087198	ZINC000625362755	ref	3.51	-36.82	1	291.399	1.511	3	4	5	CNc1cnc(C(=O)NCC[N@@H+]2[C@@H](C)CCC[C@H]2C)cn1
365630150	ZINC000172879066	ref	1.51	-18.16	0	294.319	1.831	1	4	7	C[C@H](CO)CS(=O)(=O)Cc1ccccc1OC(F)F
342087199	ZINC000625362755	mid	3.18	-38.41	1	291.399	1.511	3	4	5	CNc1cnc(C(=O)NCC[N@H+]2[C@@H](C)CCC[C@H]2C)cn1
342087200	ZINC000625362755	high	1.41	-8.57	0	291.399	1.511	2	5	5	CNc1cnc(C(=O)NCCN2[C@@H](C)CCC[C@H]2C)cn1
349534160	ZINC000602429144	ref	4.12	-50.23	1	243.31	1.496	2	2	4	N#CC1(C(=O)NC[C@H]([NH3+])c2ccccc2)CCC1
349534163	ZINC000602429144	high	3.78	-7.73	0	243.31	1.496	2	3	4	N#CC1(C(=O)NC[C@H](N)c2ccccc2)CCC1
342087201	ZINC000625363596	ref	2.86	-12.1	0	292.364	1.362	1	6	4	CCc1nc(CNC(=O)c2cn3c(n2)COCC3)cs1
342087202	ZINC000625363639	ref	7.54	-10.37	0	299.378	1.821	0	5	6	CN(CCN(C)c1ccccc1)C(=O)c1cn(C2CC2)nn1
342087203	ZINC000622702118	ref	2.79	-15.87	0	268.263	1.139	2	2	3	Cc1cc(F)c(C(=O)NC[C@H]2CNC(=O)C2)cc1F
349534166	ZINC000602430110	ref	6.99	-32.15	1	241.331	1.583	1	3	5	COC(=O)[C@H]1CCCC[N@@H+]1CCC[C@H]1CCO1
342087204	ZINC000076485189	ref	7.82	-39.26	1	288.395	1.739	1	3	3	CCc1ncncc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1
342087205	ZINC000076485189	high	5.42	-6.51	0	288.395	1.739	0	4	3	CCc1ncncc1C(=O)N1CCC[C@@H](N2CCCC2)C1
136228991	ZINC000184906841	ref	6.01	-6.76	0	232.327	2.861	1	2	5	C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccccn1
197590549	ZINC000162772319	ref	6.15	-7.97	0	319.323	3.216	0	3	6	COCC(C)(C)C(=O)N(C)Cc1ccc(OC(F)(F)F)cc1
342594283	ZINC000616959309	ref	5.07	-22.13	0	299.374	1.916	2	3	4	CC(C)Cn1ccc2c(C(=O)N[C@@H]3CCNC3=O)cccc21
342594284	ZINC000616956670	ref	2.09	-16.87	0	275.333	1.223	2	4	2	Cc1ccc2snc(C(=O)N[C@@H]3CCNC3=O)c2c1
342594285	ZINC000616956113	ref	3.71	-7.39	0	297.317	1.965	1	3	8	C[C@H](CC(F)(F)F)C(=O)N(CCOCCO)C1CCC1
342594286	ZINC000616956259	ref	3.91	-12.77	0	282.315	1.224	1	4	7	O=C(c1ncccc1F)N(CCOCCO)C1CCC1
342594287	ZINC000616960052	ref	3.84	-19.86	0	276.361	1.583	2	3	5	C=CCSc1ccccc1C(=O)N[C@@H]1CCNC1=O
365630155	ZINC000623060748	ref	5.28	-53.88	1	321.425	1.525	2	4	7	COCCn1cc(NC(=O)N2CCC([NH2+]CC3CC3)CC2)cn1
342594288	ZINC000493104145	ref	4.88	-20.55	0	276.258	1.932	1	3	7	N#CCC1(CNC(=O)/C=C/COCC(F)(F)F)CC1
342594289	ZINC000616955987	ref	4.25	-7.43	0	299.411	1.58	1	4	8	CC(C)(C)O[C@@H]1C[C@H]1C(=O)N(CCOCCO)C1CCC1
342594290	ZINC000616956657	ref	3.4	-19.69	0	274.345	1.828	2	3	2	Cc1ccc2c(C(=O)N[C@H]3CCNC3=O)csc2c1
342594291	ZINC000616956203	ref	4.22	-11.36	0	281.352	1.521	1	4	8	Cc1ccoc1CC(=O)N(CCOCCO)C1CCC1
349534157	ZINC000618811522	mid	4.4	-48.57	-1	280.715	1.446	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1cc(Cl)ccc1[O-]
190493047	ZINC000269421951	ref	6.2	-14.71	0	251.326	2.274	1	3	5	CC(C)[C@@H](C)N(C)C(=O)COc1ccccc1O
365630157	ZINC000623059406	ref	3.88	-51.59	1	302.378	1.416	3	3	5	CC(C)C[C@@](C)(C[NH3+])NC(=O)c1nc2ccccc2c(=O)[nH]1
342594292	ZINC000616960029	ref	2.99	-19.9	0	287.146	1.541	2	2	3	O=C(Cc1cccc(Cl)c1Cl)N[C@H]1CCNC1=O
365630161	ZINC000623059406	mid	2.81	-64.68	0	302.378	1.416	2	3	5	CC(C)C[C@@](C)(C[NH3+])NC(=O)c1nc2ccccc2c(=O)[n-]1
197590576	ZINC000162766747	ref	7.85	-41.31	1	312.251	3.396	1	1	6	C[C@@H]([NH2+]CCCc1ccccc1Br)[C@H]1CCOC1
282121659	ZINC000248968666	ref	5.49	-43.9	1	319.405	1.654	4	3	4	Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c(C)c1
197590580	ZINC000162764646	ref	2.08	-11.67	0	321.801	2.06	2	3	5	O=S(=O)(Cc1cc(Cl)ccc1F)NC[C@@H]1CCC[C@H]1O
342594293	ZINC000616956736	ref	2.34	-19.61	0	269.304	1.162	2	3	2	Cc1ccnc2ccc(C(=O)N[C@@H]3CCNC3=O)cc12
342594294	ZINC000616956285	ref	4.17	-11.06	0	292.379	1.323	1	4	8	Cc1ccncc1CC(=O)N(CCOCCO)C1CCC1
342594295	ZINC000616956737	ref	2.34	-19.61	0	269.304	1.162	2	3	2	Cc1ccnc2ccc(C(=O)N[C@H]3CCNC3=O)cc12
136228992	ZINC000184917123	ref	7.85	-10.07	0	229.323	2.805	1	1	5	CC#CCCCC(=O)NCc1ccccc1C
214181883	ZINC000053398922	high	3.55	-16.66	0	331.416	1.098	1	5	6	CN(C)C(=O)C1CCN(C[C@H](O)COc2ccc(C#N)cc2)CC1
342087206	ZINC000625363389	ref	5.33	-34.07	1	266.385	1.387	2	2	6	CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C1CC1
136228993	ZINC000232465657	ref	6.6	-35.64	1	230.355	2.479	2	1	5	c1ccc([C@@H](NC[C@H]2CCC[NH2+]2)C2CC2)cc1
342087207	ZINC000625363389	mid	4.76	-35.64	1	266.385	1.387	2	2	6	CCO[C@H](C[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O)C1CC1
214181894	ZINC000053396887	ref	3.94	-12.58	0	332.791	1.837	2	4	5	Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N[C@H](C)C(N)=O
178299099	ZINC000237125601	high	4.72	-20.55	0	373.478	1.568	1	4	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H](CN)c1ccccc1)CC2
178299101	ZINC000237125016	ref	6.35	-44.89	1	357.454	1.789	1	3	4	COc1ccccc1N1C[C@H](C(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)CC1=O
214181899	ZINC000053409922	ref	6.24	-17.41	0	334.332	1.666	1	7	7	CCOc1cc([N+](=O)[O-])c(C(=O)NCc2cnn(C)c2)cc1OC
214181901	ZINC000053394556	ref	1.89	-9.8	0	325.796	1.084	3	3	6	CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)C(N)=O
214181904	ZINC000053410839	ref	3.54	-22.51	0	328.438	0.631	1	5	7	CCCCS(=O)(=O)N1CCC[C@H]1C(=O)NCc1cnn(C)c1
214181908	ZINC000053410838	ref	4.05	-22.86	0	328.438	0.631	1	5	7	CCCCS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1cnn(C)c1
214181913	ZINC000053397520	ref	3.95	-17.33	0	329.4	0.928	2	3	5	C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C(N)=O
214181919	ZINC000053394610	ref	3.69	-10.21	0	347.459	1.728	3	3	6	CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)C(N)=O
365630158	ZINC000172878573	ref	6.37	-42.75	1	279.38	1.975	1	3	7	COC[C@H]1C[N@H+](CCCc2cccc(OC)c2)CCO1
214181922	ZINC000053394872	ref	-1.64	-11.87	0	340.792	1.472	2	6	6	C[C@H](NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(N)=O
214181925	ZINC000053401940	ref	9.28	-24.64	0	325.368	2.986	0	5	4	Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)Oc2ccccc2C#N)on1
178299103	ZINC000237133320	ref	1.87	-47.16	1	357.451	1.466	2	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])c1
282121660	ZINC000369239628	ref	5.06	-48.84	1	292.387	0.295	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NCC[N@@H+](C)C1CC1)CC2
214181929	ZINC000053405364	ref	7.84	-44.24	1	332.444	2.585	2	3	5	C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Cc2ccc3c(c2)OCO3)C1
365630164	ZINC000623059201	ref	3.33	-57.88	1	300.362	1.17	3	3	3	[NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1
365630168	ZINC000623059201	mid	2.27	-80.08	0	300.362	1.17	2	3	3	[NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1
365630171	ZINC000623060619	ref	3.71	-55.89	1	313.361	1.954	2	4	2	O=C(Nc1ccc(-c2ncon2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1
365630185	ZINC000623059202	ref	2.97	-58.44	1	300.362	1.17	3	3	3	[NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1
282121663	ZINC000449152114	ref	5.51	-43.92	1	284.444	2.461	2	2	7	CC(C)CC(C)(C)CNC(=O)COC1CCC([NH3+])CC1
178299107	ZINC000237137312	ref	-0.08	-16.51	0	368.846	1.884	3	6	7	COCCNC(=O)c1ccc(NC(=O)c2csc(CN)n2)cc1Cl
282121671	ZINC000449151622	ref	6.36	-57.11	1	299.422	2.365	1	4	5	CCn1nnc(C)c1C[NH2+][C@H]1CCCN(c2ccccc2)C1
178299112	ZINC000237137312	mid	0.31	-64.91	1	368.846	1.884	3	5	7	COCCNC(=O)c1ccc(NC(=O)c2csc(C[NH3+])n2)cc1Cl
178299115	ZINC000237129329	ref	2.98	-39.59	1	353.488	1.635	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])c1
178299118	ZINC000237133935	ref	4.44	-59.33	1	361.486	1.577	2	3	7	COc1ccccc1CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
365630188	ZINC000623059202	mid	1.91	-79.21	0	300.362	1.17	2	3	3	[NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1
136228994	ZINC000232465657	low	7.68	-122.72	2	230.355	2.479	2	0	5	c1ccc([C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1
365630190	ZINC000623060294	ref	5.14	-14.59	0	323.315	1.508	1	3	6	CCN(CCC(F)(F)F)C(=O)CN1C(=O)N[C@](C)(CC)C1=O
282121677	ZINC000449151622	high	5.18	-9.95	0	299.422	2.365	1	5	5	CCn1nnc(C)c1CN[C@H]1CCCN(c2ccccc2)C1
282121680	ZINC000449151968	ref	7.61	-36.72	1	294.439	2.325	1	2	6	C[C@H]([NH2+]C1CC1)C(=O)N1CCC(OCC2CCCC2)CC1
136228995	ZINC000184909777	ref	8.02	-6.8	0	243.35	3.222	1	1	4	C#CCC(C)(C)C(=O)N[C@H](C)c1ccccc1C
365630193	ZINC000623061093	ref	7.49	-39.1	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1
365630197	ZINC000623059266	ref	3.68	-56.88	1	315.377	1.887	4	3	5	C[NH2+]C[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
178299122	ZINC000237127170	ref	4.12	-47.91	1	351.472	1.208	2	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH2+]C)cc1
342087208	ZINC000048398854	ref	6.25	-42.76	1	279.409	1.873	0	3	5	CCCSCC(=O)N1CCN(c2cc[nH+]cc2)CC1
398248026	ZINC000651458252	ref	6.76	-4.16	0	285.185	3.071	1	3	6	C[C@H](COCC1CC1)Nc1ncccc1Br
343994876	ZINC000079943852	low	6.84	-35.58	1	276.38	2.186	2	2	5	CCCCNC(=O)[C@H](C)[N@H+]1CCOc2ccccc2C1
349534159	ZINC000594966898	low	6.69	-50.12	1	254.337	2.615	2	2	4	Cc1[nH]ncc1C[NH2+]C(C)(C)c1cccc(C#N)c1
230722438	ZINC000425403745	ref	9.28	-43.73	1	308.466	2.382	1	2	5	CO[C@@H](C[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1)C1CC1
365630165	ZINC000172878573	mid	6.78	-42.6	1	279.38	1.975	1	3	7	COC[C@H]1C[N@@H+](CCCc2cccc(OC)c2)CCO1
365630169	ZINC000172878573	mid	4.51	-7.2	0	279.38	1.975	0	4	7	COC[C@H]1CN(CCCc2cccc(OC)c2)CCO1
365630173	ZINC000172878494	ref	2.29	-15.34	0	262.396	1.908	1	4	5	Cc1cc(CS(=O)(=O)C[C@H](C)CO)c(C)s1
282121664	ZINC000151624435	ref	5.59	-15.26	0	311.382	2.39	1	4	5	Cc1ccc(CNS(=O)(=O)c2cn(C(C)C)cn2)cc1F
365630181	ZINC000258683197	ref	5.75	-48.6	-1	263.293	1.341	1	4	5	COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1C
365630189	ZINC000172878240	ref	5.9	-9.83	0	276.336	1.862	2	4	6	CCOC(=O)CNc1cc(C(=O)NC2CC2)ccc1C
349534162	ZINC000594968109	ref	8.18	-42.75	1	273.332	2.72	1	3	5	COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc2occc2c1
343994879	ZINC000079954390	ref	5.36	-9.74	0	299.459	2.173	1	3	7	CC[C@@H](C)N(C)C(=O)NC[C@H](CC(C)C)N1CCOCC1
349534164	ZINC000594968291	ref	6.84	-45.24	1	265.422	2.774	1	1	4	Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1
168365575	ZINC000368508922	ref	10.42	-57.73	1	346.425	3.279	1	3	5	Cc1cc(N2CCC[C@H]([NH2+]C/C=C/c3ccc(F)c(F)c3)C2)n(C)n1
349534168	ZINC000594967844	ref	7.94	-55.09	1	258.365	2.771	1	2	6	COC1CC(CC[NH2+]Cc2ccc(C#N)c(C)c2)C1
365630194	ZINC000565352681	ref	4.9	-55.16	1	292.339	1.474	2	3	4	C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1
282121675	ZINC000151626851	ref	6.68	-42.96	1	302.422	2.331	2	2	3	Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C)n1
282121681	ZINC000151626851	mid	7.25	-44.57	1	302.422	2.331	2	2	3	Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C)n1
365630205	ZINC000172878557	ref	3.27	-10.86	0	250.298	1.064	1	4	4	CC[C@H](NC(=O)[C@@H]1COCCO1)c1ccncc1
365630211	ZINC000172879707	ref	2.67	-10.9	0	278.352	1.362	1	4	6	COC[C@H]1CN(CCC(=O)Nc2ccccc2)CCO1
365630218	ZINC000172879707	mid	4.51	-49.64	1	278.352	1.362	2	3	6	COC[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCO1
365630220	ZINC000172879707	mid	4.95	-47.04	1	278.352	1.362	2	3	6	COC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CCO1
365630224	ZINC000172879567	ref	2.24	-9.38	0	298.408	1.272	1	5	6	COC[C@@H]1CN(CC(=O)N[C@H](C)c2cccs2)CCO1
214181886	ZINC000337613426	ref	9.86	-13.33	0	285.387	3.266	0	2	6	CC[C@@H](OC)C(=O)N(C)CCc1cccc2ccccc12
214181891	ZINC000337612766	ref	4.17	-7.2	0	285.428	2.495	2	3	8	CCCC[C@H](C)C(=O)N[C@]1(CO)C[C@@H](OCC)C1(C)C
214181895	ZINC000337613612	ref	7.04	-14.07	0	288.391	2.236	1	2	4	CNC(=O)c1cccc(CCC(=O)N2C[C@@H](C)C[C@H]2C)c1
214181897	ZINC000337611503	ref	7.1	-10.13	0	261.365	3.348	0	2	3	CCC1(C)CCN(C(=O)c2cccc(OC)c2)CC1
214181902	ZINC000337614509	ref	3.32	-9.02	0	256.346	0.535	0	4	6	CC(=O)CCC(=O)N(C)[C@@H](C)CN1CCOCC1
214181905	ZINC000337614509	low	6.05	-38.2	1	256.346	0.535	1	3	6	CC(=O)CCC(=O)N(C)[C@@H](C)C[NH+]1CCOCC1
214181909	ZINC000337612074	ref	2.74	-43.79	1	258.362	0.23	3	3	7	CC[N@H+](CCO)CCNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C
214181912	ZINC000337612074	mid	2.74	-43.65	1	258.362	0.23	3	3	7	CC[N@@H+](CCO)CCNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C
214181915	ZINC000337612074	high	0.63	-12.41	0	258.362	0.23	2	4	7	CCN(CCO)CCNC(=O)[C@@H]1O[C@@H](C)C[C@H]1C
214181918	ZINC000337614952	ref	0.15	-10.0	0	263.284	0.766	2	3	2	O=C([C@@H]1CCCC(F)(F)C1)N1C[C@@H](O)C[C@H]1CO
342087209	ZINC000048398854	high	5.77	-12.05	0	279.409	1.873	0	4	5	CCCSCC(=O)N1CCN(c2ccncc2)CC1
342087210	ZINC000617887394	ref	6.58	-40.1	1	289.379	1.398	3	2	3	CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1
230722448	ZINC000414269973	ref	7.49	-32.23	1	302.466	3.063	2	3	5	Cc1ccc(CNCC2([NH+]3CCCCC3)CCCCC2)nn1
214190369	ZINC000337632856	ref	2.66	-17.06	0	280.291	0.553	2	6	4	NC(=O)c1ccc(CNc2ncnc3ncccc23)cn1
214190372	ZINC000337633916	ref	3.27	-46.26	1	285.388	0.287	3	3	7	C[C@H](NC(=O)N(C)CCOCCO)C1=CC[N@H+](C)CC1
343994878	ZINC000599275036	ref	3.74	-7.77	0	269.316	1.703	2	3	7	CC[N@H+](CCC(=O)OC)Cc1cc(CO)ccc1F
214190374	ZINC000337633916	mid	3.21	-46.45	1	285.388	0.287	3	3	7	C[C@H](NC(=O)N(C)CCOCCO)C1=CC[N@@H+](C)CC1
214190376	ZINC000337633916	high	0.84	-9.77	0	285.388	0.287	2	4	7	C[C@H](NC(=O)N(C)CCOCCO)C1=CCN(C)CC1
282123617	ZINC000449156789	high	6.44	-39.25	1	292.423	2.301	2	3	6	C[C@H](Cc1ccoc1)NC1CC[NH+](C[C@@H]2CCOC2)CC1
214190380	ZINC000337633931	ref	5.6	-8.71	0	298.333	3.243	2	2	6	CCOc1cccc([C@H](C)NC(=O)NC2(C(F)F)CC2)c1
214190384	ZINC000337634194	ref	1.26	-12.28	0	273.354	0.717	2	5	7	C[C@@H](O)CN(C(=O)COc1ccsc1)[C@H](C)CO
214190387	ZINC000337635517	ref	1.52	-18.41	0	292.286	0.621	2	5	8	CN(CCOCCO)C(=O)Nc1cnn(CC(F)F)c1
342087211	ZINC000617887394	mid	6.06	-40.69	1	289.379	1.398	3	2	3	CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1
290622226	ZINC000288419907	ref	7.84	-8.32	0	281.359	3.09	0	3	2	C[C@H]1CC[C@@H](c2ccccc2)N(C(=O)c2cnccn2)C1
343994881	ZINC000599275036	mid	5.39	-40.34	1	269.316	1.703	2	3	7	CC[N@@H+](CCC(=O)OC)Cc1cc(CO)ccc1F
343994883	ZINC000599275036	mid	3.74	-7.77	0	269.316	1.703	1	4	7	CCN(CCC(=O)OC)Cc1cc(CO)ccc1F
365630172	ZINC000354697146	high	4.32	-7.75	0	290.407	1.64	2	3	5	CC(C)[C@H](O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C
365630182	ZINC000354696785	ref	3.94	-39.3	1	287.4	1.485	2	4	9	COC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)CC1CCCC1
365630184	ZINC000354696785	high	2.67	-5.21	0	287.4	1.485	2	5	9	COC[C@@](C)(CC(=O)OC)NC[C@H](O)CC1CCCC1
365630187	ZINC000354709698	ref	3.2	-9.95	0	251.273	1.235	1	3	5	CN(C[C@@H]1CCCC[C@@H]1O)C(=O)COC(F)F
365630192	ZINC000354697193	ref	3.49	-10.63	0	291.395	1.414	2	4	2	CNc1ccc(C(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)cn1
365630196	ZINC000354696786	ref	4.17	-39.22	1	287.4	1.485	2	4	9	COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)CC1CCCC1
365630199	ZINC000354696786	high	2.86	-4.21	0	287.4	1.485	2	5	9	COC[C@](C)(CC(=O)OC)NC[C@@H](O)CC1CCCC1
365630203	ZINC000354697013	ref	5.3	-7.62	0	254.374	1.796	1	2	4	CCCC(=O)NCC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C
365630206	ZINC000354696373	ref	4.79	-21.61	0	295.404	1.71	1	3	5	Cc1cccc(C)c1OCCC(=O)N[C@@H]1CC[S@@](=O)C1
230722488	ZINC000450366242	ref	6.81	-18.76	0	314.393	1.339	1	6	4	C[C@@H]1C[C@@H]1c1nnc2ccc(N3CCC[C@H](CC(N)=O)C3)nn12
299072103	ZINC000358088122	high	0.83	-8.49	0	301.456	1.05	3	4	6	CSC[C@](C)(O)CNC(=O)N[C@@H](C)C1=CCN(C)CC1
197590558	ZINC000290086159	ref	-1.71	-14.21	0	286.353	-0.23	3	4	6	Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](C)CO)cc1
342087212	ZINC000617887394	mid	3.7	-6.1	0	289.379	1.398	2	3	3	CCc1ccccc1NC(=O)C(=O)N[C@H]1CCCN(C)C1
197590560	ZINC000290087235	ref	4.4	-4.73	0	291.738	3.446	0	5	4	COc1ncc(-c2nc(CC3=CCCC3)no2)cc1Cl
365630210	ZINC000354696853	ref	4.8	-5.79	0	283.368	1.241	2	4	6	COC(=O)[C@@H](NC(=O)C(C1CCC1)C1CCC1)[C@H](C)O
365630212	ZINC000354696362	ref	4.71	-22.88	0	295.404	1.71	1	3	5	Cc1cccc(C)c1OCCC(=O)N[C@H]1CC[S@](=O)C1
192339487	ZINC000421442039	ref	5.3	-6.6	0	225.288	1.244	1	3	3	COC(=O)C(C)(C)NC(=O)[C@]12CCC[C@H]1C2
349534165	ZINC000093233982	ref	3.26	-17.73	0	279.34	0.754	1	5	7	COC(=O)CCNC(=O)CN(C)[C@@H](C)c1cccnc1
398249407	ZINC000369132071	ref	7.07	-49.45	1	236.395	1.125	2	3	2	C[Si](C)(C)C[N@@H+]1CCc2nnc(N)cc2C1
365630215	ZINC000354695975	ref	4.0	-9.22	0	255.358	1.877	1	3	4	CO[C@H]1CCC[C@H](CC(=O)NC2CCOCC2)C1
214181898	ZINC000278481117	ref	6.18	-10.77	0	318.402	3.291	2	6	5	Cc1nc(CCNc2c([N+](=O)[O-])ccc3c2CCN3)sc1C
214181903	ZINC000278482641	ref	6.37	-4.04	0	315.504	3.28	0	5	8	COCCSCCCN1C[C@H](C)O[C@@H](c2ccsc2)C1
282121665	ZINC000248968666	mid	5.83	-50.11	1	319.405	1.654	4	3	4	Cc1ccc(NC(=O)NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c(C)c1
214181907	ZINC000278482641	mid	8.11	-42.03	1	315.504	3.28	1	4	8	COCCSCCC[N@@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1
214181910	ZINC000278482641	mid	8.32	-40.52	1	315.504	3.28	1	4	8	COCCSCCC[N@H+]1C[C@H](C)O[C@@H](c2ccsc2)C1
214181914	ZINC000278482691	ref	6.06	-48.94	1	320.437	1.225	3	3	6	CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(C)n(C)c2=O)C1
214181916	ZINC000278482691	mid	6.11	-49.07	1	320.437	1.225	3	3	6	CCC[N@H+]1CC[C@@H](CNC(=O)NCc2ccc(C)n(C)c2=O)C1
214181920	ZINC000278481955	ref	7.0	-12.07	0	310.346	2.404	0	6	7	COC(=O)c1ccc(OC)cc1OCCO[C@H]1CCCCO1
214181923	ZINC000278482571	ref	6.78	-10.76	0	316.401	1.818	1	4	5	COC(=O)C[C@@H]1C(=O)NCCN1Cc1ccc(C2CCC2)cc1
214181926	ZINC000278482571	low	8.12	-45.67	1	316.401	1.818	2	3	5	COC(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1ccc(C2CCC2)cc1
214181928	ZINC000278482571	low	8.68	-51.72	1	316.401	1.818	2	3	5	COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1ccc(C2CCC2)cc1
214181931	ZINC000278481518	ref	4.62	-15.1	0	317.426	2.479	0	4	8	CCOc1ccc(CN(C)[C@@H](C)CS(=O)(=O)CC)cc1F
342087213	ZINC000625363334	ref	7.36	-40.47	1	254.374	1.356	1	2	6	CCO[C@H](C[N@@H+]1CCCN(CC)C(=O)C1)C1CC1
342087214	ZINC000625363334	mid	7.36	-42.06	1	254.374	1.356	1	2	6	CCO[C@H](C[N@H+]1CCCN(CC)C(=O)C1)C1CC1
342087215	ZINC000625363334	high	5.11	-9.54	0	254.374	1.356	0	3	6	CCO[C@H](CN1CCCN(CC)C(=O)C1)C1CC1
342087216	ZINC000609029757	ref	7.2	-20.15	0	274.28	1.596	0	6	4	Cn1cnc([N+](=O)[O-])c1N1CC(Oc2ccccc2)C1
342087217	ZINC000609025029	ref	7.91	-19.27	0	286.331	1.952	1	4	4	COC(=O)c1cn(CC(=O)N[C@H]2C[C@@H]2C)c2ccccc12
342087218	ZINC000625366119	ref	4.53	-18.04	0	288.347	1.023	1	3	3	COC1CC(C(=O)N2CCc3ccccc3[C@H]2C(N)=O)C1
342087219	ZINC000625363506	ref	2.01	-14.14	0	281.381	1.236	2	4	5	CCc1nc(CNC(=O)[C@H](C)[C@@H]2CCC(=O)N2)cs1
214181933	ZINC000278481518	low	6.43	-50.25	1	317.426	2.479	1	3	8	CCOc1ccc(C[N@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1F
361823648	ZINC000629300762	ref	5.98	-54.65	-1	289.397	1.547	0	4	4	CC(C)C1(S(=O)(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)CC1
343994917	ZINC000599275006	ref	3.25	-14.85	0	274.292	1.855	1	3	5	Cc1ccc(S(=O)(=O)NCCCC#N)c(F)c1F
365630179	ZINC000576581224	high	1.93	-45.79	1	237.347	0.309	2	2	2	N[C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@H]2C1)C1CCC1
197590565	ZINC000290085338	ref	2.22	-10.82	0	288.319	2.67	3	3	6	C=C[C@@H](CO)NC(=O)Nc1ccc(SC(F)F)cc1
365630180	ZINC000576581499	ref	4.36	-46.3	1	241.379	1.992	3	1	5	C[C@H]([NH3+])C[C@@H](C)NC(=O)NCC1(C)CCCC1
365630183	ZINC000576581904	ref	2.21	-44.54	1	226.32	0.527	2	2	3	C[C@H]1C[C@H](CNC(=O)[C@H]2CC[NH2+]C2)CCO1
136228996	ZINC000292807034	ref	0.98	-9.56	0	212.293	0.718	3	2	6	CC#CCNC(=O)NCCC[C@@H](C)CO
168364546	ZINC000368498452	ref	12.01	-46.7	1	349.478	3.234	1	2	5	C[N@H+](CCc1ccccn1)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O
365630186	ZINC000576580293	ref	3.75	-14.94	0	246.357	0.947	0	5	4	Cn1ccnc1SCCC1CS(=O)(=O)C1
136228997	ZINC000184914769	ref	6.17	-7.43	0	247.338	2.914	1	2	6	C=C(C)C[C@@H](C)C(=O)NCc1cccc(OC)c1
365630191	ZINC000343842223	ref	4.0	-5.07	0	243.391	2.582	2	2	4	C[C@@H](C(=O)NC[C@H](O)CC(C)(C)C)C(C)(C)C
230722458	ZINC000414268185	ref	7.74	-48.45	1	315.417	3.388	1	4	8	C=CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccco1
365630195	ZINC000576583439	ref	7.78	-11.34	0	246.27	1.65	0	6	6	C=CCCCCn1c(-c2ncccn2)noc1=O
168365911	ZINC000035452316	ref	2.45	-53.23	1	177.211	0.014	1	4	2	C[C@@H]([NH3+])Cc1nnc2cnccn12
365630198	ZINC000576581727	ref	4.14	-4.72	0	238.306	2.22	0	3	4	CC(C)O[C@@H]1CCN(Cc2cncc(F)c2)C1
365630201	ZINC000576581727	mid	6.29	-41.27	1	238.306	2.22	1	2	4	CC(C)O[C@@H]1CC[N@H+](Cc2cncc(F)c2)C1
197590570	ZINC000290086109	ref	1.65	-14.11	0	254.261	0.386	2	4	6	COC(=O)[C@@H](CF)NCc1cccc(C(N)=O)c1
365630204	ZINC000576581727	mid	6.49	-41.87	1	238.306	2.22	1	2	4	CC(C)O[C@@H]1CC[N@@H+](Cc2cncc(F)c2)C1
365630208	ZINC000576580884	ref	6.45	-41.85	1	249.362	0.83	1	4	3	Cn1nc(C2CC2)nc1CN1CCC[N@H+](C)CC1
365630214	ZINC000576580884	mid	6.27	-39.78	1	249.362	0.83	1	4	3	Cn1nc(C2CC2)nc1CN1CCC[N@@H+](C)CC1
342087220	ZINC000625363342	ref	2.39	-9.3	0	285.359	1.803	1	4	10	CCOCCOCCN(C)Cc1cc(CO)ccc1F
342087221	ZINC000625363342	mid	4.85	-35.29	1	285.359	1.803	2	3	10	CCOCCOCC[N@H+](C)Cc1cc(CO)ccc1F
136228998	ZINC000184914870	ref	6.64	-11.54	0	245.322	2.505	1	2	6	CC#CCCCC(=O)NCc1cccc(OC)c1
342087222	ZINC000625363342	mid	4.85	-36.68	1	285.359	1.803	2	3	10	CCOCCOCC[N@@H+](C)Cc1cc(CO)ccc1F
342087223	ZINC000625363051	ref	-0.83	-7.44	0	271.744	1.627	2	4	3	C[C@H]1CN(Cc2cc(O)ccc2Cl)C[C@H](CO)O1
342087224	ZINC000625363051	high	-0.1	-42.2	-1	271.744	1.627	1	4	3	C[C@H]1CN(Cc2cc([O-])ccc2Cl)C[C@H](CO)O1
361823200	ZINC000612425021	ref	6.96	-40.53	1	318.461	2.389	3	2	8	CC[C@H](C)[C@@H](O)CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1
178299125	ZINC000063105518	ref	7.46	-8.86	0	249.317	3.869	2	3	2	Cc1cc2ccccc2nc1Nc1ccc(N)cc1
178299130	ZINC000148996825	ref	6.72	-10.12	0	239.278	3.143	1	4	3	Cc1cc2ccccc2nc1NCc1ccon1
349534167	ZINC000618811799	ref	4.93	-10.46	0	276.384	1.724	1	3	3	C=C[C@@H]1CCCCN1C(=O)NC1CCN(CC#N)CC1
349534171	ZINC000618811300	ref	5.91	-19.01	0	252.362	1.846	0	4	6	CC[C@@H](CC(=O)N(C)Cc1cn(C)nn1)C(C)C
178299133	ZINC000148996825	low	7.06	-27.47	1	239.278	3.143	1	3	3	Cc1cc2ccccc2[nH+]c1NCc1ccon1
299072108	ZINC000354603551	ref	3.65	-28.67	0	346.391	0.142	2	7	5	Cc1cc(C)n2nc(C(=O)N[C@H](CC(N)=O)C3CCOCC3)nc2n1
197590573	ZINC000290087038	ref	3.34	-13.85	0	263.293	1.113	2	4	4	C[C@@H](NC(=O)C1=COCCO1)[C@H](O)c1ccccc1
342594296	ZINC000616956057	ref	5.14	-10.63	0	292.379	1.896	2	3	8	O=C(c1[nH]ccc1C1CC1)N(CCOCCO)C1CCC1
342594297	ZINC000616956028	ref	4.72	-8.86	0	295.379	1.848	1	4	9	C[C@@H](Cc1ccco1)C(=O)N(CCOCCO)C1CCC1
230722486	ZINC000425405478	ref	6.1	-13.02	0	304.321	2.379	1	3	2	CN1C(=O)c2ccc(NC(=O)[C@H]3CCC[C@@H](F)C3)cc2C1=O
361823207	ZINC000612423700	ref	2.65	-8.12	0	312.376	2.076	3	3	9	CCC(CC)[C@@H](O)CNC(=O)[C@@H](NCC(F)(F)F)C(C)C
361823213	ZINC000612425506	ref	4.34	-15.89	0	305.353	2.148	2	4	6	CC[C@@H](C)[C@@H](O)CNC(=O)c1c(F)cccc1-n1cccn1
361823222	ZINC000612424189	ref	2.46	-55.87	-1	323.78	2.122	2	5	6	CCC[C@@H](O)CNC(=O)c1nn(-c2cccc(Cl)c2)cc1[O-]
361823229	ZINC000612425072	ref	4.0	-12.03	0	304.415	2.486	2	4	6	CC(C)[C@H](O)CNC(=O)Cc1nc(-c2ccccc2)cs1
361823236	ZINC000612425210	ref	3.01	-11.59	0	321.417	2.104	3	4	7	COc1ccc(C[C@@H](CO)CNC(=O)[C@H]2CCC2(C)C)cc1O
361823242	ZINC000612424884	ref	4.44	-16.25	0	305.378	2.207	2	5	7	CCC(CC)[C@@H](O)CNC(=O)c1cn(C)nc1-c1ccco1
361823249	ZINC000612425187	ref	2.27	-5.52	0	311.344	2.259	2	3	6	CCC(CC)[C@H](O)CNC(=O)C1(C(F)(F)F)CCOCC1
361823258	ZINC000612425071	ref	3.86	-12.01	0	304.415	2.486	2	4	6	CC(C)[C@@H](O)CNC(=O)Cc1nc(-c2ccccc2)cs1
361823264	ZINC000612424070	ref	2.59	-11.72	0	315.417	2.047	3	3	5	CCC[C@H](O)CNC(=O)c1ccc2[nH]c3c(c2c1)CN(C)CC3
361823268	ZINC000612424070	mid	4.97	-43.4	1	315.417	2.047	4	2	5	CCC[C@H](O)CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@H+](C)CC3
178299127	ZINC000237126696	ref	6.26	-53.78	1	355.438	1.831	2	3	6	C[NH2+]C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2ccco2)CC1
214181911	ZINC000293537956	high	2.76	-9.88	0	374.434	0.872	0	6	5	COC(=O)c1cc(S(=O)(=O)N2CCO[C@H](CN(C)C)C2)c(F)cc1C
214181917	ZINC000293527815	ref	4.69	-12.91	0	367.377	0.669	2	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCCC2)c(F)c1)OC
365630200	ZINC000623059266	high	2.58	-83.58	0	315.377	1.887	3	3	5	C[NH2+]C[C@H](C)NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
178299131	ZINC000237129685	ref	2.58	-52.62	1	353.488	1.493	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1
178299134	ZINC000237125524	ref	4.59	-45.12	1	351.472	1.216	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@]1(C)CCC[NH2+]C1)CC2
214181921	ZINC000293526152	ref	5.22	-12.85	0	358.402	0.759	2	7	6	CO[C@@H](CNC(=O)C(=O)Nc1cc(C)nn1-c1ccc(C)nn1)C1CC1
178299137	ZINC000237127551	ref	4.0	-55.21	1	351.472	1.207	2	3	5	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1
178299140	ZINC000237127551	high	2.86	-13.96	0	351.472	1.207	2	4	5	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2C[C@@H](C)NC[C@H]2C)cc1
214181924	ZINC000293534966	ref	1.66	-26.87	0	367.471	0.768	3	4	8	C[C@H](c1ccccc1)[C@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(N)=O
178299142	ZINC000237131387	ref	5.87	-53.51	1	359.47	1.525	2	3	8	CCc1ccc(C(=O)CCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1
168365576	ZINC000368505755	ref	5.6	-9.03	0	340.448	3.361	1	3	3	CN1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4CC3)c2C1
214181927	ZINC000293533963	ref	1.87	-13.11	0	361.398	0.551	3	5	6	CC[C@H](O)CNC(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1
178299146	ZINC000237126873	ref	3.59	-56.13	1	365.499	1.584	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1
178299150	ZINC000237126541	ref	4.83	-58.22	1	365.499	1.456	2	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC(C[NH2+]C)CC2)cc1
214181930	ZINC000293536383	ref	11.48	-23.67	0	360.414	0.964	0	7	9	CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)COCc1nncn1C
214181934	ZINC000293531349	ref	2.23	-17.59	0	374.441	0.938	4	4	5	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1
214181937	ZINC000293539568	ref	0.01	-13.89	0	372.418	0.835	3	5	4	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
214181941	ZINC000293525424	ref	6.41	-20.19	0	353.423	0.345	1	7	5	Cn1cnn(CCC(=O)NC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1=O
342594298	ZINC000616959529	ref	0.03	-15.2	0	277.324	1.341	2	4	3	O=C(N[C@@H]1CCNC1=O)c1coc(C2CCCCC2)n1
365630202	ZINC000623061236	ref	4.89	-57.09	1	319.409	1.194	3	3	6	C[NH2+]CCCC(=O)N1CCC(NC(=O)Nc2ccccn2)CC1
365630207	ZINC000623059145	ref	5.2	-48.77	1	321.812	1.849	2	4	5	CC(C)[C@H]([NH3+])CNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365630209	ZINC000623059200	ref	2.97	-58.45	1	300.362	1.17	3	3	3	[NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1
197590581	ZINC000290086744	ref	2.26	-12.66	0	276.292	1.416	3	4	5	C=CC[C@@H](CO)NC(=O)Nc1cccc2c1COC2=O
342594299	ZINC000616956261	ref	3.1	-7.79	0	298.77	1.739	1	4	7	O=C(c1cncc(Cl)c1)N(CCOCCO)C1CCC1
365630213	ZINC000623059200	mid	1.91	-79.23	0	300.362	1.17	2	3	3	[NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1
365630216	ZINC000623060548	ref	4.0	-46.02	1	316.224	1.731	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@@]2(CC[NH2+]C2)C1
168364550	ZINC000368498452	mid	12.0	-43.15	1	349.478	3.234	1	2	5	C[N@@H+](CCc1ccccn1)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O
365630221	ZINC000623059864	ref	9.35	-17.23	0	301.272	1.847	0	5	4	CCN(CCC(F)(F)F)C(=O)c1nc2nccc(C)n2n1
168364553	ZINC000368498452	mid	9.78	-11.65	0	349.478	3.234	0	3	5	CN(CCc1ccccn1)[C@@H]1CCN([C@@H]2CCCc3ccccc32)C1=O
365630226	ZINC000623059203	ref	3.33	-57.92	1	300.362	1.17	3	3	3	[NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1
342594300	ZINC000616959320	ref	3.8	-18.63	0	256.305	1.264	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc2c(c1)CCC=C2
230722509	ZINC000414267749	ref	7.32	-43.89	1	309.475	3.428	1	2	7	C[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)c1cccc(C2CC2)c1
342594301	ZINC000616962761	ref	1.77	-15.96	0	281.381	1.268	2	4	4	Cc1nc(CC(C)C)c(C(=O)N[C@H]2CCNC2=O)s1
230722511	ZINC000414267749	high	6.23	-12.53	0	309.475	3.428	1	3	7	C[C@@H](NCCC(C)(C)S(C)(=O)=O)c1cccc(C2CC2)c1
136228999	ZINC000292829153	ref	8.25	-12.04	0	241.334	2.792	1	1	7	C#CCCCC(=O)NCCc1ccc(C=C)cc1
230722514	ZINC000414267679	ref	7.68	-56.15	1	321.371	3.127	1	3	5	C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1cccc(F)c1F
323004366	ZINC000150979418	ref	3.06	-11.16	0	247.335	0.969	1	4	10	CCOCCO[C@H](C)C(=O)N[C@@H](CC)COC
230722517	ZINC000414267679	high	6.66	-11.11	0	321.371	3.127	1	4	5	C[C@@H](NC[C@@H]1CCO[C@H]1c1cnn(C)c1)c1cccc(F)c1F
259309315	ZINC000323008905	ref	4.65	-41.73	1	238.335	1.078	2	3	6	CNC(=O)C[C@@H](C)[NH2+]Cc1cncn1C(C)C
214181932	ZINC000053405364	mid	7.82	-44.67	1	332.444	2.585	2	3	5	C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Cc2ccc3c(c2)OCO3)C1
342087225	ZINC000625362932	ref	4.64	-40.91	1	288.294	1.668	2	3	6	COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1
342087226	ZINC000625362932	mid	4.4	-40.75	1	288.294	1.668	2	3	6	COCC[N@H+]1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1
214181936	ZINC000053396100	ref	4.57	-13.02	0	332.429	1.571	2	5	6	Cc1cccc(-n2ccnc2SCC(=O)N[C@H](C)C(N)=O)c1C
342087227	ZINC000625362932	mid	1.86	-8.35	0	288.294	1.668	1	4	6	COCCN1CC[C@H](NC(=O)c2ccc(C(F)F)o2)C1
342087228	ZINC000622702072	ref	2.86	-17.61	0	268.263	1.49	2	2	4	O=C1C[C@@H](CNC(=O)c2cccc(C(F)F)c2)CN1
342087229	ZINC000625363168	ref	4.85	-41.33	1	282.306	1.412	2	2	6	COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1
342087230	ZINC000625363168	mid	4.7	-41.19	1	282.306	1.412	2	2	6	COCC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1
214181939	ZINC000053400459	ref	4.98	-15.35	0	331.759	2.922	0	4	3	O=C1[C@H]2CCCN2C(=O)N1Cc1ncc(-c2cccc(Cl)c2)o1
214181942	ZINC000053398290	ref	9.0	-22.3	0	335.388	3.25	1	5	3	O=C(Cn1cnc2ccsc2c1=O)Nc1ccc2ccccc2c1
214181945	ZINC000053395220	ref	4.45	-13.15	0	334.416	2.267	2	4	10	CCCCOc1ccc(/C=C/C(=O)N[C@H](C)C(N)=O)cc1OCC
214181948	ZINC000053410505	ref	5.47	-20.28	0	346.456	1.967	2	5	7	CC(C)NC(=O)CSc1ccccc1C(=O)NCc1cnn(C)c1
214181952	ZINC000053402435	ref	6.57	-13.21	0	332.404	2.96	0	6	4	Cc1cc([C@@H]2CCCN2C(=O)CCc2nc(C(C)(C)C)no2)on1
214181958	ZINC000053394542	ref	2.82	-9.86	0	339.823	1.474	3	3	7	CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)C(N)=O
398248028	ZINC000651457859	ref	9.12	-7.61	0	296.374	3.338	2	4	6	C[C@H](COCC1CC1)Nc1ncnc2[nH]c3ccccc3c12
214181963	ZINC000053404967	ref	5.9	-44.66	1	330.432	2.772	2	4	4	Cc1noc2ncc(C(=O)NCC(C)(C)[N@@H+]3CCC[C@H](C)C3)cc12
214181966	ZINC000053404967	mid	5.92	-44.05	1	330.432	2.772	2	4	4	Cc1noc2ncc(C(=O)NCC(C)(C)[N@H+]3CCC[C@H](C)C3)cc12
214181969	ZINC000053404967	high	4.01	-8.06	0	330.432	2.772	1	5	4	Cc1noc2ncc(C(=O)NCC(C)(C)N3CCC[C@H](C)C3)cc12
214181972	ZINC000053393884	ref	2.94	-10.59	0	331.235	1.84	2	3	5	Cc1cc(Br)ccc1SCC(=O)N[C@@H](C)C(N)=O
342087231	ZINC000625363168	high	2.46	-6.54	0	282.306	1.412	1	3	6	COCCN1CC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1
349534169	ZINC000602430110	mid	6.51	-34.21	1	241.331	1.583	1	3	5	COC(=O)[C@H]1CCCC[N@H+]1CCC[C@H]1CCO1
365630217	ZINC000576580884	high	3.87	-9.23	0	249.362	0.83	0	5	3	CN1CCCN(Cc2nc(C3CC3)nn2C)CC1
230722494	ZINC000425402721	ref	3.31	-7.09	0	315.32	2.313	0	6	4	COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(C(F)F)no1
365630222	ZINC000576584212	ref	9.72	-46.37	0	247.338	2.585	1	2	4	CC[C@@H](C)[N@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)[O-])C1
365630225	ZINC000576584212	mid	9.68	-44.76	0	247.338	2.585	1	2	4	CC[C@@H](C)[N@@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)[O-])C1
342594302	ZINC000616956237	ref	5.74	-8.04	0	293.407	1.979	1	3	7	O=C([C@@H]1C[C@@H]2C=C[C@H]1CC2)N(CCOCCO)C1CCC1
365630229	ZINC000576581221	ref	1.5	-96.6	2	237.347	0.309	2	1	2	[NH3+][C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC1
365630232	ZINC000576581221	high	1.16	-50.52	1	237.347	0.309	2	2	2	N[C@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC1
365630235	ZINC000576580467	ref	3.33	-57.49	1	249.314	0.719	1	3	4	CO[C@@H](C[NH3+])C(=O)N1CCC[C@@H]1c1ccccn1
365630239	ZINC000576580467	high	3.06	-14.39	0	249.314	0.719	1	4	4	CO[C@@H](CN)C(=O)N1CCC[C@@H]1c1ccccn1
365630242	ZINC000175962564	ref	1.97	-7.72	0	241.331	1.224	2	3	3	O=C(NC[C@H]1CCCOC1)C1(O)CCCCC1
365630250	ZINC000576580507	ref	5.0	-7.7	0	248.286	0.374	1	6	5	CCO[C@@H]1C[C@H](Nc2ncncc2C#N)[C@@H]1OC
365630256	ZINC000576583624	ref	1.54	-8.56	0	239.275	0.975	1	6	3	COC(=O)[C@@H]1CC[C@@H](c2nc(CN)no2)CC1
365630261	ZINC000576583624	mid	1.93	-46.79	1	239.275	0.975	1	5	3	COC(=O)[C@@H]1CC[C@@H](c2nc(C[NH3+])no2)CC1
365630265	ZINC000576583578	ref	-1.71	-46.85	1	243.332	0.284	3	3	4	CC(C)([NH3+])CNS(=O)(=O)c1ccc(N)cc1
365630269	ZINC000576582267	ref	3.21	-42.97	1	212.322	1.037	2	3	4	c1n[nH]nc1CSCC1CC[NH2+]CC1
365630273	ZINC000576582267	mid	3.28	-45.29	1	212.322	1.037	2	3	4	c1[nH]nnc1CSCC1CC[NH2+]CC1
199272974	ZINC000181264513	ref	4.53	-9.79	0	303.387	2.332	2	4	3	O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@H](O)C1
365630276	ZINC000576582267	low	3.25	-45.83	1	212.322	1.037	2	3	4	c1nn[nH]c1CSCC1CC[NH2+]CC1
299072109	ZINC000358087002	ref	1.25	-16.76	0	311.407	1.38	1	4	3	CN(C(=O)c1ccc(S(N)(=O)=O)nc1)[C@@H]1CCC(C)(C)C1
365630280	ZINC000576580415	ref	0.69	-5.76	0	231.292	0.067	2	4	5	COC[C@H](NC(=O)C(C)(C)O)[C@@H]1CCCO1
299072118	ZINC000358087518	ref	4.58	-14.14	0	318.373	1.589	1	4	4	COc1ccc(C(=O)N2CCNC(=O)C2)c(OC2CCCC2)c1
365630282	ZINC000576580508	ref	4.36	-6.16	0	248.286	0.374	1	6	5	CCO[C@@H]1C[C@@H](Nc2ncncc2C#N)[C@H]1OC
365630285	ZINC000576583893	ref	4.26	-39.01	1	245.273	1.808	1	3	5	C[NH2+][C@H](C)Cc1noc(CC2CC(F)(F)C2)n1
365630287	ZINC000576581513	ref	0.9	-45.94	1	230.264	-1.1	2	4	5	COC[C@H](NC(=O)[C@H]1CC[NH2+]C1)C(=O)OC
365630219	ZINC000354696979	ref	6.41	-11.68	0	275.352	1.989	0	4	4	COC[C@@H](C)N(C)C(=O)c1ccc2nc(C)n(C)c2c1
282121666	ZINC000156177685	low	10.85	-107.74	2	326.444	1.937	2	2	4	C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1
365630223	ZINC000354696979	low	6.85	-34.34	1	275.352	1.989	0	3	4	COC[C@@H](C)N(C)C(=O)c1ccc2[nH+]c(C)n(C)c2c1
199272975	ZINC000294964189	ref	5.67	-10.34	0	280.418	3.355	1	4	4	Cc1csc(C(=O)NC[C@H](C)c2ncc(C)s2)c1
365630227	ZINC000354697009	ref	5.32	-6.71	0	254.374	1.796	1	2	4	CCCC(=O)NCC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C
282121672	ZINC000425616948	ref	11.4	-36.21	1	334.423	2.858	1	3	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)c1cn2ccccc2n1
282121686	ZINC000425616948	high	10.03	-13.86	0	334.423	2.858	0	4	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1cn2ccccc2n1
282121691	ZINC000371740361	ref	6.21	-45.09	1	291.399	0.409	1	4	4	Cn1ccc(N2CC[C@@H](N3CC[C@@H](C[NH+](C)C)C3)C2=O)n1
178299139	ZINC000002026755	ref	7.81	-53.42	-1	203.197	1.515	0	4	2	Cc1cc2ccccn2c1C(=O)C(=O)[O-]
168364558	ZINC000368497125	ref	7.32	-10.35	0	338.492	3.326	1	3	7	CCOCCC1(CNC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)CCCC1
282121698	ZINC000425614896	ref	0.49	-12.61	0	330.819	2.653	1	3	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)c1ncncc1Cl
342594303	ZINC000616956746	ref	3.31	-17.9	0	297.358	1.724	2	3	3	CCc1nc2ccccc2c(C(=O)N[C@H]2CCNC2=O)c1C
343994919	ZINC000139482690	ref	4.91	-7.34	0	176.137	2.503	0	1	2	CCOc1ccc(F)c(F)c1F
168364559	ZINC000368498834	ref	7.63	-44.08	1	342.361	3.146	2	2	3	O=C(C[N@@H+]1CC[C@]2(CCCOC2)C1)Nc1cccc(C(F)(F)F)c1
168364561	ZINC000368498834	mid	7.56	-43.44	1	342.361	3.146	2	2	3	O=C(C[N@H+]1CC[C@]2(CCCOC2)C1)Nc1cccc(C(F)(F)F)c1
168364563	ZINC000368498834	mid	4.85	-10.88	0	342.361	3.146	1	3	3	O=C(CN1CC[C@]2(CCCOC2)C1)Nc1cccc(C(F)(F)F)c1
168364565	ZINC000368501032	ref	7.61	-52.43	1	333.501	3.338	2	3	5	O=C1CC[C@@H]([NH2+]Cc2nc(C3CCCCC3)cs2)[C@@H](C2CC2)N1
365630230	ZINC000354696490	ref	5.37	-13.48	0	298.383	1.54	1	4	5	CCOC(=O)C[C@@H](C)CNC(=O)N1CCC[C@]12CCOC2
365630233	ZINC000354696784	ref	3.97	-39.26	1	287.4	1.485	2	4	9	COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)CC1CCCC1
398248029	ZINC000649442292	ref	5.41	-12.28	0	243.31	2.032	1	3	3	CC(=O)NCc1cccc(-c2cn(C)nc2C)c1
192339488	ZINC000273863543	ref	-2.13	-20.58	0	290.266	0.151	2	5	7	CN(C[C@H](O)CO)C(=O)c1ccnc(OCC(F)F)c1
398248030	ZINC000651457859	low	9.48	-31.37	1	296.374	3.338	2	3	6	C[C@H](COCC1CC1)Nc1[nH+]cnc2[nH]c3ccccc3c12
365630228	ZINC000623059203	mid	2.27	-80.11	0	300.362	1.17	2	3	3	[NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1
349534170	ZINC000093233982	low	5.2	-45.72	1	279.34	0.754	2	4	7	COC(=O)CCNC(=O)C[N@H+](C)[C@@H](C)c1cccnc1
349534173	ZINC000093233982	low	5.21	-49.78	1	279.34	0.754	2	4	7	COC(=O)CCNC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1
365630231	ZINC000623061262	ref	4.31	-42.01	1	316.224	1.73	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@@H]2CC[NH2+][C@H]2C1
365630234	ZINC000623060951	ref	2.99	-51.74	1	323.418	1.306	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1
365630238	ZINC000623059398	ref	6.33	-58.7	1	314.393	1.621	3	4	5	C[NH2+]C[C@H](C)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365630241	ZINC000623060107	ref	7.36	-87.15	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1
365630245	ZINC000623060107	high	4.9	-42.77	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1
365630249	ZINC000623060593	ref	2.07	-47.97	1	308.382	1.322	2	4	6	COCC[NH2+]C1CCN(C(=O)Nc2cccnc2OC)CC1
178299144	ZINC000005986734	ref	10.63	-7.31	0	239.293	4.137	0	1	2	Cc1cc2ccccc2n1Cc1ccc(F)cc1
365630254	ZINC000623061095	ref	7.46	-38.72	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1
230722540	ZINC000450365368	ref	4.59	-34.85	1	321.421	1.145	2	5	6	CCOC(=O)c1ccc(CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)nc1
230722543	ZINC000450365368	mid	4.28	-36.28	1	321.421	1.145	2	5	6	CCOC(=O)c1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)nc1
230722547	ZINC000450365368	mid	2.42	-7.43	0	321.421	1.145	1	6	6	CCOC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@@H](C)C2)nc1
365630258	ZINC000623060864	ref	4.4	-36.58	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1
365630262	ZINC000623061285	ref	6.33	-47.01	1	305.426	1.735	2	4	6	Cn1nc(C2CC2)nc1C(=O)NCC[NH2+]C1CCCCCC1
365630266	ZINC000623059585	ref	7.58	-95.09	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1
365630268	ZINC000623059585	high	5.09	-49.17	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1
178299148	ZINC000001638782	ref	6.72	-12.93	0	248.285	3.655	1	3	0	Cc1cc2ccccc2n2c1nc1ccc(O)cc12
365630272	ZINC000623060295	ref	5.19	-14.88	0	323.315	1.508	1	3	6	CCN(CCC(F)(F)F)C(=O)CN1C(=O)N[C@@](C)(CC)C1=O
342087232	ZINC000046774955	ref	5.27	-6.89	0	280.412	1.888	0	3	2	C[C@@H]1COCCN1CC(=O)N1CCC[C@H]2CCCC[C@@H]21
214181935	ZINC000278481518	low	6.41	-47.39	1	317.426	2.479	1	3	8	CCOc1ccc(C[N@@H+](C)[C@@H](C)CS(=O)(=O)CC)cc1F
214181938	ZINC000278481298	ref	8.67	-11.3	0	312.417	2.816	1	3	3	Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3nccn3C)C2)cc1
214181940	ZINC000278481298	low	9.18	-35.03	1	312.417	2.816	1	2	3	Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCc3[nH+]ccn3C)C2)cc1
214181943	ZINC000278480329	ref	3.13	-10.71	0	308.382	2.491	1	7	8	CC[C@H](O)c1nccn1Cc1nc([C@H](C)OCC(C)C)no1
214181946	ZINC000278480612	ref	8.05	-11.93	0	304.39	2.095	0	3	5	C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC(C)CC1
214181949	ZINC000278481237	ref	6.8	-15.81	0	306.332	2.548	2	3	6	CC[C@H](C)[C@@H](NC(=O)N[C@@H](C)Cn1ccnc1)C(F)(F)F
342087233	ZINC000046774955	low	7.24	-35.79	1	280.412	1.888	1	2	2	C[C@@H]1COCC[N@@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21
343994882	ZINC000079954390	mid	8.03	-42.6	1	299.459	2.173	2	2	7	CC[C@@H](C)N(C)C(=O)NC[C@H](CC(C)C)[NH+]1CCOCC1
214181950	ZINC000278481237	low	7.31	-40.17	1	306.332	2.548	2	2	6	CC[C@H](C)[C@@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)C(F)(F)F
290623537	ZINC000368072256	ref	5.4	-12.9	0	328.478	1.697	0	3	2	C[C@H]1CC[C@@]2(CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C2)C1
342087234	ZINC000046774955	low	7.39	-34.69	1	280.412	1.888	1	2	2	C[C@@H]1COCC[N@H+]1CC(=O)N1CCC[C@H]2CCCC[C@@H]21
342087235	ZINC000609025283	ref	5.51	-10.54	0	264.325	1.946	2	3	4	CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2C[C@@H]2C)c1C
342087236	ZINC000622702119	ref	2.79	-15.89	0	268.263	1.139	2	2	3	Cc1cc(F)c(C(=O)NC[C@@H]2CNC(=O)C2)cc1F
342087237	ZINC000625363508	ref	2.07	-13.84	0	281.381	1.236	2	4	5	CCc1nc(CNC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)cs1
219047739	ZINC000286546340	ref	4.44	-46.88	-1	307.306	0.258	1	7	6	CCOC(=O)c1[nH]c(=O)n(-c2cc(CCOC)ccn2)c1[O-]
342087238	ZINC000609025282	ref	5.68	-10.41	0	264.325	1.946	2	3	4	CCOC(=O)c1[nH]c(C)c(C(=O)N[C@H]2C[C@H]2C)c1C
214190599	ZINC000337636520	ref	6.46	-85.41	2	280.416	0.866	4	1	6	O=C(NCC[NH+]1CCC1)NC1CC[NH+](CC2CC2)CC1
342087239	ZINC000625363052	ref	-0.09	-7.12	0	271.744	1.627	2	4	3	C[C@@H]1CN(Cc2cc(O)ccc2Cl)C[C@@H](CO)O1
342087240	ZINC000625363052	high	0.74	-43.33	-1	271.744	1.627	1	4	3	C[C@@H]1CN(Cc2cc([O-])ccc2Cl)C[C@@H](CO)O1
342087241	ZINC000625363169	ref	4.93	-40.57	1	282.306	1.412	2	2	6	COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342087242	ZINC000625363169	mid	4.7	-40.45	1	282.306	1.412	2	2	6	COCC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
197590592	ZINC000162764579	ref	6.93	-10.5	0	304.434	2.791	2	2	3	Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCC[C@](C)(O)C2)c1
342594304	ZINC000616959335	ref	2.98	-21.98	0	296.754	1.286	2	3	5	CCOc1c(Cl)cccc1CC(=O)N[C@H]1CCNC1=O
365630236	ZINC000354696784	high	2.73	-4.14	0	287.4	1.485	2	5	9	COC[C@](C)(CC(=O)OC)NC[C@H](O)CC1CCCC1
365630240	ZINC000354696902	ref	5.15	-12.88	0	267.373	1.841	1	4	9	CCOC[C@@H](NC(=O)CCCn1cccn1)C(C)C
293081725	ZINC000419016735	ref	8.6	-4.9	0	261.394	3.48	0	4	1	Cc1csc2ncnc(N3C[C@H](C)[C@@H](C)[C@@H]3C)c12
342594305	ZINC000616956033	ref	4.07	-9.97	0	287.4	1.437	1	4	10	CO[C@@H](CC(C)C)C(=O)N(CCOCCO)C1CCC1
136229000	ZINC000292839129	ref	6.08	-8.26	0	246.31	2.165	1	2	2	C=CCNC(=O)N1Cc2ccccc2O[C@@H](C)C1
342594306	ZINC000616956229	ref	4.68	-7.23	0	269.385	1.813	1	3	7	CC1(C)CC[C@H]1C(=O)N(CCOCCO)C1CCC1
365630244	ZINC000354697148	ref	7.12	-44.0	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C
365630246	ZINC000354697148	mid	7.14	-45.23	1	290.407	1.64	3	2	5	CC(C)[C@H](O)C(=O)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C
230722535	ZINC000414270537	ref	6.24	-46.15	1	315.504	3.272	1	3	7	CSc1ccc([C@@H](C)[NH2+]CCC(C)(C)S(C)(=O)=O)cc1
230722538	ZINC000414270537	high	5.14	-13.25	0	315.504	3.272	1	4	7	CSc1ccc([C@@H](C)NCCC(C)(C)S(C)(=O)=O)cc1
365630248	ZINC000354697148	high	4.07	-7.44	0	290.407	1.64	2	3	5	CC(C)[C@H](O)C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C
342594307	ZINC000616960054	ref	2.8	-22.3	0	292.335	1.101	2	4	5	COc1ccc(C(=O)N[C@@H]2CCNC2=O)c(OC(C)C)c1
342594308	ZINC000616956251	ref	4.08	-10.42	0	285.384	1.191	1	4	9	CO[C@H](C(=O)N(CCOCCO)C1CCC1)C1CCC1
342594309	ZINC000616959528	ref	0.03	-15.17	0	277.324	1.341	2	4	3	O=C(N[C@H]1CCNC1=O)c1coc(C2CCCCC2)n1
230722545	ZINC000414267626	ref	8.45	-29.44	0	309.822	3.044	0	4	4	Cn1c(C[S@@](=O)c2ccccc2Cl)nnc1C1CCC1
230722548	ZINC000414269448	ref	7.13	-15.27	0	321.895	3.155	0	3	5	CN(Cc1ccc(Cl)s1)C(=O)C[S@](=O)CC(C)(C)C
365630251	ZINC000639790794	ref	5.16	-45.13	1	257.337	1.8	2	3	3	C[C@H](O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1
342594310	ZINC000616956159	ref	3.36	-9.87	0	282.34	1.241	1	5	8	CCc1nocc1C(=O)N(CCOCCO)C1CCC1
342600475	ZINC000616999510	high	5.85	-37.85	1	295.471	1.955	2	2	4	CN1CCC(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1
259309316	ZINC000323008905	high	3.6	-13.16	0	238.335	1.078	2	4	6	CNC(=O)C[C@@H](C)NCc1cncn1C(C)C
365630237	ZINC000172881163	ref	4.66	-11.76	0	292.379	1.387	0	4	6	CCN(C(=O)CN1CCO[C@H](COC)C1)c1ccccc1
219047740	ZINC000097681786	low	10.74	-64.39	0	327.344	1.859	0	7	6	Cc1ccc(-c2nc(C3(Cn4cc[nH+]c4)CC3)n(CC(=O)[O-])n2)o1
365630243	ZINC000643091720	ref	2.1	-9.05	0	278.352	1.967	3	3	3	C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@@H](C)C(C)(C)O
365630247	ZINC000172878005	ref	3.44	-12.29	0	292.379	1.236	0	4	5	COC[C@H]1CN(Cc2cccc(C(=O)N(C)C)c2)CCO1
299072111	ZINC000567661131	mid	7.21	-48.52	1	293.411	2.243	2	3	6	CC[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1c(C)noc1C
185386237	ZINC000096751107	ref	-0.19	-17.97	0	318.354	1.692	3	4	4	NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1
178299152	ZINC000237127216	ref	4.87	-66.05	-1	350.396	1.955	0	7	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2nc(-c3ccsc3)oc2C)C1
365630252	ZINC000172878005	low	5.16	-46.12	1	292.379	1.236	1	3	5	COC[C@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CCO1
178299155	ZINC000237126844	ref	3.5	-56.63	1	365.499	1.584	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1
365630253	ZINC000172878005	low	5.67	-45.9	1	292.379	1.236	1	3	5	COC[C@H]1C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)CCO1
178299158	ZINC000237133688	ref	2.18	-57.29	1	357.451	1.323	2	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1
178299160	ZINC000237136418	ref	5.21	-57.45	1	373.478	1.776	2	3	6	C[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1
365630259	ZINC000172877132	ref	6.19	-15.52	0	259.313	1.502	1	5	5	CC[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccncc1
178299163	ZINC000237129486	ref	2.62	-56.26	1	353.488	1.493	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1
178299174	ZINC000237129452	ref	8.16	-62.85	-1	363.389	1.777	1	6	7	COC[C@](C)(NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)C(=O)[O-]
178299176	ZINC000237126028	ref	4.66	-37.69	1	353.488	1.445	2	3	7	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1
214181944	ZINC000293529580	ref	7.0	-17.89	0	370.413	0.802	3	7	6	CC[C@@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C(C)(C)O
178299179	ZINC000237129107	ref	4.32	-53.28	1	371.528	1.42	1	4	4	C[NH2+]C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)s2)CC1
178299182	ZINC000237130705	ref	2.7	-56.12	1	361.467	1.723	3	3	7	CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]([NH3+])c2ccccc2)c1
300267247	ZINC000364046179	mid	3.73	-71.63	0	285.344	-1.066	1	5	2	C[C@H]1CN(C[C@H]2C[N@@H+](C)CCO2)CCN1C(=O)C(=O)[O-]
342087243	ZINC000625363169	high	2.16	-6.39	0	282.306	1.412	1	3	6	COCCN1CC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342087244	ZINC000625363024	ref	3.48	-14.56	0	278.356	1.391	0	5	4	CCN1CCCN(Cc2noc(C3CCC3)n2)CC1=O
365630255	ZINC000639790794	mid	4.91	-48.13	1	257.337	1.8	2	3	3	C[C@H](O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365630257	ZINC000354695980	ref	3.86	-7.18	0	255.358	1.877	1	3	4	CO[C@H]1CCC[C@@H](CC(=O)NC2CCOCC2)C1
342087245	ZINC000625363043	ref	4.52	-48.83	1	288.294	1.668	2	3	6	COCC[N@@H+]1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1
214181956	ZINC000293537934	ref	1.98	-9.26	0	364.446	0.92	3	6	4	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C
214181959	ZINC000293530486	ref	5.89	-39.02	1	363.462	0.801	2	5	5	COCCn1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cn1
214181964	ZINC000293530486	mid	6.2	-38.27	1	363.462	0.801	2	5	5	COCCn1cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cn1
214181967	ZINC000293530486	high	4.02	-8.62	0	363.462	0.801	1	6	5	COCCn1cc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)cn1
214181970	ZINC000293536608	ref	4.07	-22.86	0	358.427	0.971	2	5	5	Cc1ccc(C#N)cc1NC(=O)C(=O)NCCCC1N=NC(=S)N1C
214181973	ZINC000293534958	ref	1.6	-24.64	0	367.471	0.768	3	4	8	C[C@@H](c1ccccc1)[C@@H](NC(=O)NCC1(CS(C)(=O)=O)CC1)C(N)=O
214181981	ZINC000293534688	ref	1.94	-12.88	0	372.429	0.639	2	7	4	CN(C)c1ccc(NC(=O)C(=O)N2CCC[C@@H](n3cc(CO)nn3)C2)cc1
342087246	ZINC000625363043	mid	4.38	-48.99	1	288.294	1.668	2	3	6	COCC[N@H+]1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1
230722558	ZINC000414267743	ref	5.15	-24.42	0	310.444	3.119	0	5	6	COc1ccccc1C[S@@](=O)Cc1nnc(C(C)C)s1
259309317	ZINC000323021964	ref	5.04	-34.7	1	225.336	1.886	1	3	6	CC[C@](C)(C[NH2+][C@@H](C)c1nccn1C)OC
342087247	ZINC000625363043	mid	2.12	-12.76	0	288.294	1.668	1	4	6	COCCN1CC[C@@H](NC(=O)c2coc(C(F)F)c2)C1
178299153	ZINC000001638782	low	7.19	-25.52	1	248.285	3.655	1	2	0	Cc1cc2ccccc2n2c1[nH+]c1ccc(O)cc12
342087248	ZINC000046773610	ref	10.28	-36.03	1	274.368	1.76	1	4	7	CCCC[N@H+](CCn1nc2ccccn2c1=O)C1CC1
342087249	ZINC000046773610	mid	10.27	-36.24	1	274.368	1.76	1	4	7	CCCC[N@@H+](CCn1nc2ccccn2c1=O)C1CC1
342087250	ZINC000046773610	high	8.21	-10.85	0	274.368	1.76	0	5	7	CCCCN(CCn1nc2ccccn2c1=O)C1CC1
342087251	ZINC000625362754	ref	3.5	-36.61	1	291.399	1.511	3	4	5	CNc1cnc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cn1
197590609	ZINC000290087537	ref	8.72	-10.79	0	260.312	2.656	0	2	5	CN(Cc1ccc(C#N)cc1)C(=O)C1(CCF)CC1
342594311	ZINC000616960522	ref	3.11	-18.46	0	290.367	1.315	2	4	3	Cc1cc(C(=O)N[C@@H]2CCNC2=O)nn1C1CCCCC1
342594312	ZINC000616960292	ref	2.47	-18.81	0	268.313	1.166	2	3	3	CSc1cc(C(=O)N[C@H]2CCNC2=O)ccc1F
342594313	ZINC000616960370	ref	3.8	-16.08	0	280.755	1.523	2	2	4	C[C@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
299072112	ZINC000354602606	ref	-0.97	-15.8	0	328.365	0.157	3	4	6	O=C(CNS(=O)(=O)c1ccccc1F)N[C@H]1C=C[C@@H](CO)C1
230722559	ZINC000425403748	ref	9.27	-43.97	1	308.466	2.382	1	2	5	CO[C@@H](C[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1)C1CC1
190493056	ZINC000269415966	ref	7.02	-15.45	0	299.37	3.079	2	3	6	C[C@@H](NC(=O)COc1ccccc1O)[C@H](C)c1ccccc1
342594314	ZINC000616960322	ref	3.92	-15.75	0	258.321	1.351	2	2	5	C=C[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1
365630260	ZINC000367180160	ref	4.57	-41.42	1	254.374	1.258	1	2	4	CC[C@H](CC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21)C(C)C
365630264	ZINC000354696571	ref	5.48	-11.81	0	286.372	1.396	1	4	6	CCOC(=O)C[C@@H](C)CNC(=O)N(C)[C@H]1CCCOC1
342594315	ZINC000616960653	ref	2.96	-17.76	0	290.367	1.035	2	4	5	CC(C)Cn1ncc(C(=O)N[C@H]2CCNC2=O)c1C1CC1
342594316	ZINC000616960525	ref	3.28	-20.9	0	264.35	1.417	2	3	4	CCSc1cccc(C(=O)N[C@H]2CCNC2=O)c1
178299156	ZINC000063105450	ref	9.75	-7.77	0	239.322	3.139	0	3	3	Cc1cc2ccccc2nc1N(C)C[C@H](C)C#N
342594317	ZINC000616960698	ref	3.89	-16.83	0	280.755	1.523	2	2	4	C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCNC1=O
342594318	ZINC000590779334	ref	7.18	-14.08	0	298.427	1.953	1	4	6	CCC(=O)N1CCC(N[C@H](C(=O)OC(C)C)C(C)C)CC1
259309318	ZINC000323021964	mid	3.85	-7.66	0	225.336	1.886	1	4	6	CC[C@](C)(CN[C@@H](C)c1nccn1C)OC
342594319	ZINC000590779334	mid	7.96	-46.15	1	298.427	1.953	1	3	6	CCC(=O)N1CCC([NH2+][C@H](C(=O)OC(C)C)C(C)C)CC1
342594320	ZINC000616960637	ref	2.61	-19.18	0	297.152	1.376	2	2	2	Cc1cccc(C(=O)N[C@H]2CCNC2=O)c1Br
178299161	ZINC000034432717	ref	9.4	-41.06	1	228.339	3.044	1	1	2	Cc1cc2ccccc2n1C[C@H]1CCC[N@H+]1C
197590630	ZINC000290087791	ref	6.57	-50.14	1	299.374	2.464	2	3	6	c1n[nH]cc1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1
342594321	ZINC000616960636	ref	2.6	-19.16	0	297.152	1.376	2	2	2	Cc1cccc(C(=O)N[C@@H]2CCNC2=O)c1Br
342594322	ZINC000590781472	ref	6.6	-9.98	0	288.351	1.705	1	4	4	Cc1nc(NC(=O)C(=O)N(C)CCC(C)C)ccc1C#N
290622230	ZINC000430034346	ref	3.73	-19.09	0	343.493	1.201	1	3	3	CNC(=O)[C@]1(C)CCN(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]3C2)C1
168364567	ZINC000368501032	mid	6.51	-8.44	0	333.501	3.338	2	4	5	O=C1CC[C@@H](NCc2nc(C3CCCCC3)cs2)[C@@H](C2CC2)N1
178299164	ZINC000034432717	mid	9.99	-33.72	1	228.339	3.044	1	1	2	Cc1cc2ccccc2n1C[C@H]1CCC[N@@H+]1C
230722564	ZINC000414268008	ref	7.11	-14.54	0	309.475	3.356	1	2	5	Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[S@@](=O)CC(C)(C)C
178299167	ZINC000063105773	ref	6.73	-7.19	0	242.322	3.134	1	3	2	Cc1cc2ccccc2nc1NC1CCOCC1
178299170	ZINC000063105773	low	7.04	-25.47	1	242.322	3.134	1	2	2	Cc1cc2ccccc2[nH+]c1NC1CCOCC1
365630263	ZINC000172880241	ref	1.74	-41.73	-1	296.348	1.661	0	5	7	CCOc1ccc(OCCS(=O)(=O)c2ncc[n-]2)cc1
323004367	ZINC000150978326	ref	2.05	-13.26	0	238.287	0.838	2	3	5	CC[C@@H](COC)NC(=O)c1ccc(C)[nH]c1=O
178299171	ZINC000063176586	ref	6.39	-47.93	1	241.338	2.835	2	2	2	Cc1cc2ccccc2nc1N[C@H]1CCC[C@H]1[NH3+]
178299172	ZINC000301732872	ref	9.95	-7.21	0	240.35	3.778	0	2	1	Cc1cc2ccccc2nc1N1CC[C@H](C)[C@H]1C
365630270	ZINC000172880241	mid	2.23	-16.05	0	296.348	1.661	1	5	7	CCOc1ccc(OCCS(=O)(=O)c2ncc[nH]2)cc1
365630275	ZINC000172881170	ref	4.7	-12.06	0	292.379	1.387	0	4	6	CCN(C(=O)CN1CCO[C@@H](COC)C1)c1ccccc1
365630279	ZINC000172880560	ref	3.13	-10.99	0	290.367	1.124	0	6	4	COC[C@@H]1CN(Cc2cnc3c(c2)c(C)nn3C)CCO1
178299173	ZINC000301732872	low	10.39	-21.02	1	240.35	3.778	0	1	1	Cc1cc2ccccc2[nH+]c1N1CC[C@H](C)[C@H]1C
343994885	ZINC000558732651	ref	4.09	-48.76	1	236.29	1.322	2	1	6	NC(=O)CC[NH2+]CC1(c2ccc(F)cc2)CC1
178299175	ZINC000097442849	ref	5.18	-9.56	0	244.338	2.974	2	3	5	Cc1cc2ccccc2nc1NC[C@@H](C)CCO
230722582	ZINC000414267625	ref	8.19	-12.59	0	309.822	3.044	0	4	4	Cn1c(C[S@](=O)c2ccccc2Cl)nnc1C1CCC1
178299177	ZINC000097442849	low	5.51	-26.22	1	244.338	2.974	2	2	5	Cc1cc2ccccc2[nH+]c1NC[C@@H](C)CCO
365630284	ZINC000172880560	low	5.6	-52.93	1	290.367	1.124	1	5	4	COC[C@@H]1C[N@H+](Cc2cnc3c(c2)c(C)nn3C)CCO1
178299181	ZINC000094944760	ref	5.56	-9.41	0	244.338	3.116	2	3	5	Cc1cc2ccccc2nc1N[C@H](C)CCCO
365630288	ZINC000172880560	low	5.47	-53.06	1	290.367	1.124	1	5	4	COC[C@@H]1C[N@@H+](Cc2cnc3c(c2)c(C)nn3C)CCO1
349534172	ZINC000602430110	mid	4.57	-7.38	0	241.331	1.583	0	4	5	COC(=O)[C@H]1CCCCN1CCC[C@H]1CCO1
365630267	ZINC000354696574	ref	5.48	-11.81	0	286.372	1.396	1	4	6	CCOC(=O)C[C@@H](C)CNC(=O)N(C)[C@@H]1CCCOC1
365630271	ZINC000354696058	ref	3.09	-16.99	0	257.38	1.489	1	3	3	C[C@H](C(=O)N[C@H]1CC[S@@](=O)C1)c1ccsc1
197590614	ZINC000162764543	ref	6.38	-20.75	0	309.322	2.253	1	5	3	N#CC1(NC(=O)c2ccc([N+](=O)[O-])cc2F)CCSCC1
365630274	ZINC000354696470	ref	2.86	-11.72	0	294.317	1.506	0	3	3	CC[C@@H]1CO[C@@H](C)CN1C(=O)C1CN(CC(F)(F)F)C1
282121669	ZINC000248968666	mid	3.0	-17.63	0	319.405	1.654	3	4	4	Cc1ccc(NC(=O)NC(=O)CN2CC[C@@H](C)[C@H]2CO)c(C)c1
282121676	ZINC000248965119	ref	0.86	-7.97	0	314.813	1.651	3	4	7	Cc1cc(Cl)ccc1NC(=O)CN(C[C@@H](C)O)[C@H](C)CO
299072113	ZINC000567661131	high	4.77	-12.47	0	293.411	2.243	1	4	6	CC[C@H](C(=O)NCCN1CC[C@H](C)C1)c1c(C)noc1C
282121679	ZINC000248965119	mid	3.03	-36.73	1	314.813	1.651	4	3	7	Cc1cc(Cl)ccc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO
282121682	ZINC000248965119	mid	2.76	-37.73	1	314.813	1.651	4	3	7	Cc1cc(Cl)ccc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO
230722584	ZINC000425409143	ref	7.85	-40.22	1	305.422	2.027	1	4	7	CCOc1cccc(N2CC[NH+](C[C@@H](OC)C3CC3)CC2)n1
230722587	ZINC000425409143	high	5.55	-6.17	0	305.422	2.027	0	5	7	CCOc1cccc(N2CCN(C[C@@H](OC)C3CC3)CC2)n1
230722589	ZINC000425407757	ref	6.05	-13.99	0	319.449	2.469	3	2	9	CC(C)[C@@H](C)NC(=O)NCCNC(=O)CCCc1ccccc1
365630278	ZINC000354697686	ref	3.95	-6.79	0	271.304	1.823	1	3	4	COC[C@](C)(NC(=O)[C@@H]1CCSC1)C(F)(F)F
365630281	ZINC000354696057	ref	3.07	-21.42	0	257.38	1.489	1	3	3	C[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)c1ccsc1
365639044	ZINC000623071044	mid	4.52	-10.0	0	301.39	1.227	1	3	0	O=C(N1CCc2ccccc2C1)N1CC[C@H]2OCCN[C@@H]2C1
365639046	ZINC000623071604	ref	3.45	-44.21	1	308.382	1.133	1	5	3	CCc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)no1
365639050	ZINC000623071902	ref	5.52	-46.39	1	308.382	1.298	2	4	2	Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)no1
365639055	ZINC000623071052	ref	4.39	-57.1	1	314.393	1.914	2	4	3	Cc1ccc(NC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1
342087252	ZINC000625362754	high	1.41	-8.28	0	291.399	1.511	2	5	5	CNc1cnc(C(=O)NCCN2[C@@H](C)CCC[C@@H]2C)cn1
342087253	ZINC000625363490	ref	9.64	-15.7	0	286.379	1.786	0	4	6	Cc1cncn1CC(=O)N(C)CCN(C)c1ccccc1
342087254	ZINC000625363490	mid	10.15	-38.38	1	286.379	1.786	0	3	6	Cc1c[nH+]cn1CC(=O)N(C)CCN(C)c1ccccc1
342087255	ZINC000622702070	ref	3.2	-15.93	0	290.363	1.441	2	3	6	COc1cccc([C@@H](C)CC(=O)NC[C@H]2CNC(=O)C2)c1
342087256	ZINC000046774786	ref	4.42	-7.35	0	254.374	1.212	0	3	2	C[C@H]1COCCN1CC(=O)N1C[C@H](C)C[C@@H](C)C1
342087257	ZINC000046774786	low	6.38	-35.95	1	254.374	1.212	1	2	2	C[C@H]1COCC[N@H+]1CC(=O)N1C[C@H](C)C[C@@H](C)C1
290622231	ZINC000280841116	ref	7.65	-20.84	0	345.468	2.754	1	4	3	CNC(=O)[C@]1(C)CCN(C(=O)c2sccc2-n2c(C)ccc2C)C1
342087258	ZINC000046774786	low	6.53	-34.89	1	254.374	1.212	1	2	2	C[C@H]1COCC[N@@H+]1CC(=O)N1C[C@H](C)C[C@@H](C)C1
365630277	ZINC000623059609	ref	6.43	-57.91	1	314.393	1.704	2	4	5	CN(CCC[NH3+])C(=O)Nc1cccc(-c2nnc3n2CCC3)c1
136229001	ZINC000184908315	ref	6.34	-15.26	0	230.311	1.934	1	2	6	CC#CCCCC(=O)NCCc1ccccn1
136229002	ZINC000184904686	ref	6.96	-11.59	0	245.322	2.375	1	2	7	CC#CCCCC(=O)NCCOc1ccccc1
398248031	ZINC000649442379	ref	7.94	-7.68	0	244.338	3.321	0	3	4	Cc1nn(C)cc1-c1ccc(COC(C)C)cc1
365630283	ZINC000623060225	ref	1.85	-52.04	1	308.382	1.322	2	4	6	COCC[NH2+]C1CCN(C(=O)Nc2ccc(OC)nc2)CC1
214181960	ZINC000278481935	ref	8.33	-12.74	0	311.385	2.427	1	4	4	C[C@H]1COCC[C@@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1
214181962	ZINC000278481935	low	8.83	-40.95	1	311.385	2.427	1	3	4	C[C@H]1COCC[C@@H]1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1
214181965	ZINC000278480750	ref	4.65	-46.66	1	309.303	2.747	2	2	9	C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccc(CO)c1
214181968	ZINC000278480750	high	3.49	-7.3	0	309.303	2.747	2	3	9	C[C@H](NCCOCC(F)(F)C(F)F)c1cccc(CO)c1
214181971	ZINC000278480909	ref	8.74	-17.46	0	318.417	3.122	1	3	6	CC[C@@H](C(=O)Nc1ccc(C)c(OC(C)C)c1)N1CCCC1=O
214181975	ZINC000278481098	ref	8.59	-10.85	0	324.38	2.993	0	5	6	COc1cc(OC(=O)[C@@H](C)N(C)Cc2ccccc2)ccc1C#N
214181976	ZINC000278481098	low	11.05	-47.75	1	324.38	2.993	1	4	6	COc1cc(OC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)ccc1C#N
214181977	ZINC000278481098	low	11.01	-49.22	1	324.38	2.993	1	4	6	COc1cc(OC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)ccc1C#N
342087259	ZINC000625363392	ref	5.07	-36.3	1	266.385	1.387	2	2	6	CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC1
214181978	ZINC000278480812	ref	8.28	-11.26	0	306.416	1.69	1	6	4	O=C(NCc1ncnn1-c1ccccc1)C1SCCS1
365630286	ZINC000623059303	ref	3.91	-45.05	1	312.345	1.821	2	4	5	C[NH2+]C[C@H](C)NC(=O)c1nnc(-c2c(F)cccc2F)s1
342087260	ZINC000625363392	mid	5.25	-34.79	1	266.385	1.387	2	2	6	CCO[C@H](C[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O)C1CC1
365630289	ZINC000641596756	ref	3.04	-20.07	0	290.429	1.21	1	3	5	CC(=O)N1CC[C@H](CNS(=O)(=O)CCC(C)(C)C)C1
365630297	ZINC000641596683	ref	3.99	-10.8	0	296.164	1.964	1	2	1	Cc1c(Br)cccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
185087362	ZINC000096071904	ref	8.98	-38.84	1	290.407	2.955	1	2	2	CC(=O)N1CCCC[C@]12CCC[N@H+](Cc1ccc(C)o1)C2
342594323	ZINC000590780081	ref	4.72	-54.0	1	299.418	1.982	2	3	4	N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+]CCN1CCC(O)CC1
197590622	ZINC000162773660	ref	8.89	-21.11	0	320.345	2.481	1	5	7	CC[C@H]1CCC[C@H]1NC(=O)COc1ccc(C=O)cc1[N+](=O)[O-]
365630306	ZINC000641596060	ref	6.42	-86.43	2	292.427	1.176	3	1	4	O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]([NH+]2CCCC2)C1
342594324	ZINC000590781222	ref	3.91	-15.05	0	287.363	1.551	1	4	8	COCCN(CC#N)Cc1ccc(C(=O)NC2CC2)cc1
365630311	ZINC000641596060	high	4.04	-45.38	1	292.427	1.176	2	2	4	O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H](N2CCCC2)C1
342594325	ZINC000590780376	ref	7.76	-46.13	1	280.328	1.099	1	4	3	CN(C(=O)c1cc([N+](=O)[O-])cn1C)C1CC[NH+](C)CC1
365630316	ZINC000641596715	ref	3.28	-10.63	0	275.201	1.45	1	2	1	O=C(c1c(F)c(F)cc(F)c1F)N1C[C@H]2C[C@@]2(O)C1
365630320	ZINC000641596022	ref	2.58	-12.4	0	281.381	1.413	1	3	5	C[C@H]1CCCN1S(=O)(=O)NC/C=C/c1cccnc1
365630327	ZINC000641596021	ref	2.76	-12.17	0	281.381	1.413	1	3	5	C[C@H]1CCCN1S(=O)(=O)NC/C=C\c1cccnc1
342594326	ZINC000590780376	high	5.39	-9.44	0	280.328	1.099	0	5	3	CN1CCC(N(C)C(=O)c2cc([N+](=O)[O-])cn2C)CC1
197590631	ZINC000162767396	ref	5.84	-15.42	0	324.808	2.366	1	3	5	CCOc1cc(Cl)ccc1CNC(=O)[C@@H]1CCCN1C(C)=O
365630333	ZINC000641596935	ref	3.41	-19.5	0	290.429	1.21	1	3	7	CCC[C@H](C)CS(=O)(=O)NC[C@H]1CCN(C(C)=O)C1
365630341	ZINC000641596622	ref	0.62	-10.97	0	288.145	1.164	1	4	5	COc1cnc(N(C)CCC(N)=O)c(Br)c1
432002716	ZINC000062226837	ref	9.77	-11.43	0	307.409	3.424	0	2	7	CCOC[C@@H]1CCCN(C(=O)CCCc2ccc(F)cc2)C1
365630346	ZINC000641596934	ref	3.42	-19.53	0	290.429	1.21	1	3	7	CCC[C@@H](C)CS(=O)(=O)NC[C@H]1CCN(C(C)=O)C1
365630351	ZINC000641596792	ref	6.3	-15.49	0	293.342	1.84	1	2	3	CC(=O)N1CC[C@H](CNC(=O)N(C)c2ccc(F)cc2)C1
365630361	ZINC000641596718	ref	3.27	-10.67	0	275.201	1.45	1	2	1	O=C(c1c(F)c(F)cc(F)c1F)N1C[C@@H]2C[C@]2(O)C1
349534174	ZINC000594968309	ref	6.26	-55.31	1	290.432	2.947	2	1	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1
365630369	ZINC000641596757	ref	3.03	-17.19	0	290.429	1.21	1	3	5	CC(=O)N1CC[C@@H](CNS(=O)(=O)CCC(C)(C)C)C1
365630290	ZINC000623059582	ref	7.36	-93.89	2	302.422	1.964	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1
136229003	ZINC000292827659	ref	5.33	-12.31	0	249.358	2.368	2	2	6	C=CCC(C)(C)C(=O)N[C@@H](C)Cc1cc(C)n[nH]1
136229004	ZINC000292827659	mid	5.63	-9.84	0	249.358	2.368	2	2	6	C=CCC(C)(C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1
342087261	ZINC000625363603	ref	3.0	-10.53	0	254.355	1.747	1	4	5	CCc1nc(CNC(=O)C2CC(OC)C2)cs1
342087262	ZINC000625363176	ref	3.07	-40.62	1	278.352	1.151	3	3	5	COCC[N@@H+]1CC[C@@H](NC(=O)c2c(C)cccc2O)C1
365630295	ZINC000623059582	high	4.88	-48.07	1	302.422	1.964	2	2	3	CN(C)Cc1cccc(NC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)c1
365630298	ZINC000623059296	ref	4.28	-42.06	1	304.213	1.728	1	3	1	C[C@@H]1CN(C(=O)c2ncc(Br)s2)[C@H](C)C[NH2+]1
365630301	ZINC000623059296	high	3.11	-4.59	0	304.213	1.728	1	4	1	C[C@@H]1CN(C(=O)c2ncc(Br)s2)[C@H](C)CN1
342087263	ZINC000625363176	mid	2.91	-39.73	1	278.352	1.151	3	3	5	COCC[N@H+]1CC[C@@H](NC(=O)c2c(C)cccc2O)C1
365630304	ZINC000623060366	ref	5.56	-37.72	1	304.394	1.076	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1
365630309	ZINC000623060952	ref	3.01	-51.66	1	323.418	1.306	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1
365630314	ZINC000623060364	ref	5.7	-38.3	1	304.394	1.076	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1
342087264	ZINC000625363176	mid	0.67	-8.97	0	278.352	1.151	2	4	5	COCCN1CC[C@@H](NC(=O)c2c(C)cccc2O)C1
342087265	ZINC000625363176	high	1.44	-51.39	-1	278.352	1.151	1	4	5	COCCN1CC[C@@H](NC(=O)c2c(C)cccc2[O-])C1
365639045	ZINC000354713117	ref	4.24	-11.9	0	286.372	1.13	2	4	5	CCOC(=O)CC[C@H](C)NC(=O)N1CC[C@H](O)[C@@H](C)C1
365639049	ZINC000354712435	ref	-0.76	-10.37	0	296.371	1.491	3	5	4	COc1nn(C)cc1NC(=O)NC[C@@]1(C)CCCC[C@@H]1O
342087266	ZINC000625363873	ref	6.35	-6.3	0	290.363	1.79	1	3	4	CN(Cc1ccco1)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
136229005	ZINC000292839309	ref	1.73	-10.03	0	246.376	1.366	3	3	9	C=C[C@H](CO)NC(=O)NCCCCCSC
136229006	ZINC000184909839	ref	8.73	-10.68	0	243.35	3.366	1	1	5	CC#CCCCC(=O)N[C@H](C)c1ccccc1C
342087267	ZINC000625363167	ref	4.93	-40.5	1	282.306	1.412	2	2	6	COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1
342087268	ZINC000625363167	mid	4.7	-40.39	1	282.306	1.412	2	2	6	COCC[N@H+]1CC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1
259309319	ZINC000394182187	ref	4.04	-8.63	0	247.338	2.08	2	2	6	CC(C)[C@H](CO)CNC(=O)/C=C/c1ccccc1
365639057	ZINC000354712352	ref	4.5	-13.7	0	274.324	1.027	3	4	5	CC(C)[C@H](O)C(=O)N[C@H](c1ccccc1)c1nc[nH]n1
197590634	ZINC000162771243	ref	0.74	-14.02	0	324.402	1.021	2	4	5	NC(=O)c1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1
342594327	ZINC000590780551	ref	7.46	-11.77	0	293.346	1.766	0	6	3	CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@]1(C)CCCO1
214181974	ZINC000053398036	ref	2.61	-11.8	0	332.404	0.294	2	4	4	CC(C)NC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1
214190373	ZINC000278495247	ref	8.74	-117.68	2	320.502	2.949	2	1	6	C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc([S@@](C)=O)cc1
342594328	ZINC000616960284	ref	3.52	-20.51	0	298.342	1.396	2	3	4	COc1ccc2cccc(CC(=O)N[C@@H]3CCNC3=O)c2c1
349534175	ZINC000618810582	ref	4.78	-23.99	0	282.394	1.871	0	6	4	CSc1ccsc1C(=O)N(C)Cc1cn(C)nn1
349534179	ZINC000623669587	ref	4.39	-36.82	1	251.374	1.841	2	3	4	Cn1nccc1C[NH2+][C@@]1(CO)CCCC(C)(C)C1
214190378	ZINC000278494268	ref	6.03	-38.39	1	319.38	1.298	3	2	6	O=C(NCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)c1ccc(F)cc1
214190379	ZINC000278494268	mid	5.54	-41.91	1	319.38	1.298	3	2	6	O=C(NCCNC(=O)[C@H]1CCC[N@H+]1C1CC1)c1ccc(F)cc1
214190381	ZINC000278494268	mid	3.89	-12.78	0	319.38	1.298	2	3	6	O=C(NCCNC(=O)[C@H]1CCCN1C1CC1)c1ccc(F)cc1
214190383	ZINC000278495232	ref	5.8	-9.88	0	318.352	2.457	0	6	5	CCOc1cc(N2CCC(Oc3ncccc3F)CC2)ncn1
214190386	ZINC000278496295	ref	7.99	-15.37	0	304.415	2.942	0	3	3	CC(C)[C@@H]1CN(C(=O)CN2CCSC2=O)c2ccccc21
342594329	ZINC000616960699	ref	3.88	-15.65	0	280.755	1.523	2	2	4	C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCNC1=O
214190388	ZINC000278495483	ref	9.05	-10.37	0	302.418	3.435	0	3	4	C=CC[C@H]1N(C(=O)c2cc(C(C)=O)cn2C)CCCC1(C)C
197590642	ZINC000162773930	ref	7.03	-15.19	0	314.385	2.28	1	3	4	C[C@H]1CC[C@@H](NC(=O)CCN2C(=O)CCC2=O)c2ccccc21
197590646	ZINC000162765214	ref	5.2	-53.5	1	311.47	2.095	3	2	9	CCCC[C@H](C[NH3+])NC(=O)C[C@@H](C)NC(=O)C1CCCCC1
290622232	ZINC000492521182	ref	3.44	-11.3	0	255.277	2.137	1	4	4	COc1cncc(/C=C/C(=O)Nc2cccnc2)c1
365630291	ZINC000576581504	ref	2.35	-52.73	1	235.331	1.342	3	2	7	CC[C@@H](Nc1ccccc1)C(=O)NCCC[NH3+]
255763960	ZINC000273561613	ref	9.8	-19.7	0	365.393	2.756	1	6	4	CNC(=O)c1ccc(N2CC[C@H](n3cnc4ccccc43)C2)c([N+](=O)[O-])c1
365630293	ZINC000576582823	ref	2.73	-105.2	2	243.376	-0.113	2	2	2	C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H]1[NH3+]
178299185	ZINC000237130705	high	2.25	-11.79	0	361.467	1.723	3	4	7	CCNS(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](N)c2ccccc2)c1
178299188	ZINC000237136241	ref	6.98	-65.66	-1	362.245	1.88	0	4	7	CN(CC(=O)[O-])C(=O)CCC[S@@](=O)c1ccc(Br)cc1
282121670	ZINC000369239628	mid	5.03	-48.51	1	292.387	0.295	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NCC[N@H+](C)C1CC1)CC2
282121674	ZINC000369239628	high	2.75	-16.24	0	292.387	0.295	2	5	5	Cc1nc2n(n1)C[C@H](NC(=O)NCCN(C)C1CC1)CC2
365630292	ZINC000643091719	ref	2.13	-8.8	0	278.352	1.967	3	3	3	C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N[C@H](C)C(C)(C)O
365630294	ZINC000172877301	ref	1.4	-9.9	0	295.364	1.645	0	7	5	COC[C@@H]1CN(Cc2nc(-c3cccs3)no2)CCO1
230722623	ZINC000425405435	ref	6.4	-46.22	1	317.433	2.138	3	2	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1
230722626	ZINC000425405435	high	3.93	-9.1	0	317.433	2.138	2	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccc(CN(C)C)cc1
178299190	ZINC000237130528	ref	5.86	-51.39	1	363.483	1.216	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC13CC[NH2+]CC3)CC2
365630299	ZINC000172879849	ref	3.86	-6.89	0	265.353	1.803	0	4	7	COC[C@@H]1CN(CCCOc2ccccc2)CCO1
365630303	ZINC000172879849	mid	6.29	-42.82	1	265.353	1.803	1	3	7	COC[C@@H]1C[N@H+](CCCOc2ccccc2)CCO1
365630307	ZINC000172879849	mid	6.24	-42.86	1	265.353	1.803	1	3	7	COC[C@@H]1C[N@@H+](CCCOc2ccccc2)CCO1
365630310	ZINC000172880583	ref	0.23	-46.14	-1	299.377	1.122	1	5	5	C[C@H](NC(=O)CS(=O)(=O)c1ncc[n-]1)c1cccs1
365630313	ZINC000172880583	mid	0.73	-20.79	0	299.377	1.122	2	5	5	C[C@H](NC(=O)CS(=O)(=O)c1ncc[nH]1)c1cccs1
230722643	ZINC000425404087	ref	6.52	-15.05	0	317.393	2.239	1	5	5	C[C@H](CCc1ccco1)NC(=O)N1CCC[C@H](n2ccnn2)C1
365630317	ZINC000172877418	ref	2.97	-9.03	0	278.308	1.782	0	6	5	COC[C@H]1CN(Cc2cc(-c3ccco3)on2)CCO1
190493060	ZINC000269420236	ref	7.34	-14.62	0	295.346	2.163	1	5	3	Cc1ccc2cc(C(=O)N[C@@H](C)c3nncn3C)ccc2n1
365630322	ZINC000172880565	ref	3.24	-11.35	0	290.367	1.124	0	6	4	COC[C@H]1CN(Cc2cnc3c(c2)c(C)nn3C)CCO1
178299193	ZINC000237133637	ref	5.32	-55.23	1	352.523	1.298	1	3	8	CN1CCN(C(=O)CC2CCN(C(=O)CCCCCC[NH3+])CC2)CC1
230722651	ZINC000425403076	ref	3.1	-11.57	0	320.389	2.094	2	4	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1cc(OC)ccc1OC
290622233	ZINC000492521181	ref	3.3	-13.06	0	255.277	2.137	1	4	4	COc1cncc(/C=C\C(=O)Nc2cccnc2)c1
349534176	ZINC000093234537	ref	2.67	-11.7	0	292.383	0.667	1	4	6	C[C@H](NC(=O)CN(C)[C@H](C)c1cccnc1)C(=O)N(C)C
342594330	ZINC000616960524	ref	3.28	-20.94	0	264.35	1.417	2	3	4	CCSc1cccc(C(=O)N[C@@H]2CCNC2=O)c1
214181979	ZINC000278482506	ref	5.89	-22.26	0	322.405	1.284	1	5	6	Cc1ccc(CNC(=O)[C@H](C)OC[C@H]2CCCCO2)c(=O)n1C
282121678	ZINC000533465446	ref	7.33	-13.43	0	277.368	1.836	1	4	5	O=C(COC1CCCC1)NC[C@@H]1CCCn2ccnc21
178299192	ZINC000094944760	low	5.88	-25.18	1	244.338	3.116	2	2	5	Cc1cc2ccccc2[nH+]c1N[C@H](C)CCCO
214181980	ZINC000278482632	ref	5.13	-17.71	0	311.407	1.365	1	5	4	CC1(C)CCc2nc(NC(=O)CCS(C)(=O)=O)ncc2C1
214181982	ZINC000278482110	ref	8.33	-11.15	0	322.357	2.448	0	6	5	COC(=O)c1ccc(OC(=O)[C@@H]2CCO[C@H]2C(C)C)c(OC)c1
214181984	ZINC000278482284	ref	7.93	-56.71	1	307.467	1.83	2	5	6	CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H]2CCSC2)ncn1
214181985	ZINC000278482284	low	8.4	-103.68	2	307.467	1.83	2	4	6	CNc1cc(N2CCC[C@H]2C[NH2+]C[C@H]2CCSC2)nc[nH+]1
282121684	ZINC000533465446	low	7.95	-38.3	1	277.368	1.836	1	3	5	O=C(COC1CCCC1)NC[C@@H]1CCCn2cc[nH+]c21
342594331	ZINC000616960254	ref	3.4	-19.97	0	282.727	1.357	2	3	4	CCOc1cc(Cl)ccc1C(=O)N[C@@H]1CCNC1=O
282121689	ZINC000533466202	ref	2.99	-6.46	0	276.384	1.062	1	5	2	C[C@H](O)[C@H]1CCCN(c2ncnc3c2CN(C)CC3)C1
214181988	ZINC000278480477	ref	5.91	-10.89	0	309.753	1.545	0	5	2	COC(=O)[C@H]1CC12CCN(C(=O)c1cnc(Cl)cn1)CC2
214181989	ZINC000278480468	ref	-0.69	-14.24	0	313.375	1.137	2	5	2	CS(=O)(=O)[C@H]1CCCCN(C(=O)c2c(O)cccc2O)C1
214181990	ZINC000278480468	high	0.08	-50.34	-1	313.375	1.137	1	5	2	CS(=O)(=O)[C@H]1CCCCN(C(=O)c2c([O-])cccc2O)C1
219047741	ZINC000286546340	low	3.77	-11.55	0	307.306	0.258	2	7	6	CCOC(=O)c1[nH]c(=O)n(-c2cc(CCOC)ccn2)c1O
214181993	ZINC000278480476	ref	6.73	-19.53	0	317.433	2.871	2	2	5	CC(C)NC(=O)CCNC(=O)N1C[C@@H](C(C)C)c2ccccc21
214181995	ZINC000278481077	ref	7.41	-7.13	0	305.422	2.736	0	4	6	C=CC[C@@H]1N(C(=O)c2ccn(CCOC)n2)CCCC1(C)C
214181997	ZINC000278481959	ref	7.0	-14.67	0	310.346	2.404	0	6	7	COC(=O)c1ccc(OC)cc1OCCO[C@@H]1CCCCO1
199272976	ZINC000181259670	ref	4.98	-9.93	0	301.386	2.778	2	3	2	Cc1ccc(C(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCCC3)cc1O
299072114	ZINC000459275489	ref	3.97	-16.11	0	319.405	2.514	3	3	5	CC[C@@H]1OCC[C@H]1NC(=O)Nc1ccc(C(=O)NC(C)C)cc1
342594332	ZINC000590779253	ref	5.83	-45.36	1	269.348	1.804	2	2	2	N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCNC1=O
178299196	ZINC000237133637	mid	7.67	-98.91	2	352.523	1.298	2	2	8	C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCCCCC[NH3+])CC2)CC1
178299198	ZINC000237129138	ref	5.54	-59.43	1	351.472	1.05	1	3	4	C[NH2+]C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1
365630296	ZINC000576582823	high	1.5	-57.88	1	243.376	-0.113	2	3	2	C[C@@H]1CN(C(=O)C[C@@H]2CSCCN2)C[C@@H]1[NH3+]
365630300	ZINC000576583833	ref	2.16	-15.22	0	202.141	-0.112	1	5	3	O=c1c(F)cc([N+](=O)[O-])cn1CCO
178299201	ZINC000237128685	ref	2.8	-62.82	1	365.499	1.632	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1
178299205	ZINC000237133434	ref	1.52	-46.25	1	357.451	1.466	2	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])c1
365630305	ZINC000576584231	ref	9.69	-46.47	0	247.338	2.585	1	2	4	CC[C@H](C)[N@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)[O-])C1
178299207	ZINC000237128463	ref	2.8	-63.56	1	365.499	1.632	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1
178299211	ZINC000237135062	ref	2.7	-47.46	1	371.478	1.761	3	3	7	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1
282123618	ZINC000248981787	mid	2.7	-10.04	0	322.449	1.544	3	4	8	Cc1ccc([C@H](C)NC(=O)CN(C[C@@H](C)O)[C@H](C)CO)cc1C
230722627	ZINC000450364293	ref	3.45	-11.61	0	324.182	1.671	2	4	2	N#Cc1cc(Br)cnc1N[C@@H]1CCCN(C(N)=O)C1
365630308	ZINC000576584231	mid	9.66	-44.56	0	247.338	2.585	1	2	4	CC[C@H](C)[N@@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)[O-])C1
365630315	ZINC000576584091	ref	4.02	-110.18	2	232.78	2.617	2	1	5	C[C@@H](C[C@@H](C)[NH3+])[NH2+]Cc1sccc1Cl
365630318	ZINC000576584091	mid	2.8	-43.25	1	232.78	2.617	2	2	5	C[C@@H](C[C@@H](C)[NH3+])NCc1sccc1Cl
365630321	ZINC000576584210	ref	8.25	-37.37	1	216.328	2.671	1	1	3	CC1(C[N@@H+]2CC[C@H](c3cccnc3)C2)CC1
178299214	ZINC000237127219	ref	6.19	-40.83	1	359.47	1.345	2	3	6	COc1ccccc1CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178299217	ZINC000237135651	ref	5.49	-39.21	1	351.472	1.359	1	3	4	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1C
365630323	ZINC000576584210	mid	8.42	-37.1	1	216.328	2.671	1	1	3	CC1(C[N@H+]2CC[C@H](c3cccnc3)C2)CC1
178299220	ZINC000237126574	ref	8.51	-62.94	-1	360.435	1.977	0	6	6	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc(Cc3ccccc3)n2)C1
365630329	ZINC000576582945	ref	4.55	-62.67	1	248.33	1.134	2	2	5	C=CCCCC(=O)N=c1ccn([C@H]2CC[NH2+]C2)[nH]1
365630332	ZINC000576582826	ref	2.73	-104.36	2	243.376	-0.113	2	2	2	C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@@H]1[NH3+]
365630336	ZINC000576582826	high	1.67	-58.87	1	243.376	-0.113	2	3	2	C[C@@H]1CN(C(=O)C[C@H]2CSCCN2)C[C@@H]1[NH3+]
365630302	ZINC000336548960	ref	5.74	-17.49	0	288.376	2.058	0	5	2	C[C@H](C(=O)N1CCSc2ncccc21)c1cnn(C)c1
282121683	ZINC000247330469	ref	8.98	-15.58	0	339.443	2.489	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](c3ccccc3)C[C@H]1C)CC2
282121701	ZINC000171049250	ref	7.22	-55.56	1	342.447	1.333	3	4	6	Cc1nc2n(n1)C[C@H](NC(=O)NCC[N@@H+](C)Cc1ccccc1)CC2
214181986	ZINC000293540064	ref	4.38	-14.92	0	372.381	0.695	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(-c2nccc(C)n2)cc1)OC
214181987	ZINC000293538322	ref	6.2	-20.08	0	364.402	0.01	1	8	9	COc1ccc(OC)c(CN(CCO)C(=O)CCn2ncn(C)c2=O)c1
365630312	ZINC000336548540	ref	6.71	-49.0	1	288.391	2.218	1	2	3	CCOc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C
214181991	ZINC000293532628	ref	0.15	-9.99	0	371.459	0.252	1	7	5	COC(=O)c1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@H](C)C2)cnc1C
282121708	ZINC000171049250	mid	7.21	-55.54	1	342.447	1.333	3	4	6	Cc1nc2n(n1)C[C@H](NC(=O)NCC[N@H+](C)Cc1ccccc1)CC2
282121713	ZINC000171049250	high	4.9	-17.74	0	342.447	1.333	2	5	6	Cc1nc2n(n1)C[C@H](NC(=O)NCCN(C)Cc1ccccc1)CC2
365630319	ZINC000336548655	ref	6.54	-8.43	0	298.383	2.481	1	3	3	CS[C@@H](C)CNC(=O)N1CCOc2ccc(F)cc2C1
214181994	ZINC000293532628	low	2.35	-44.77	1	371.459	0.252	2	6	5	COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)cnc1C
365630324	ZINC000336548558	ref	6.41	-11.39	0	289.375	2.047	0	3	2	COc1cccc2c1CCN(C(=O)[C@H]1CCO[C@@H]1C)CC2
365630328	ZINC000336548212	ref	8.53	-36.63	1	273.38	2.125	1	2	3	C[NH+](C)[C@H]1CCCN(C(=O)c2ccc(C3CC3)cn2)C1
214181996	ZINC000293532628	low	2.31	-43.9	1	371.459	0.252	2	6	5	COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@H](C)C2)cnc1C
214181998	ZINC000293524057	ref	2.69	-15.43	0	360.164	0.087	2	6	5	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cccc(Br)n1)OC
342594333	ZINC000590779253	high	4.99	-10.08	0	269.348	1.804	2	3	2	N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCCNC1=O
365630334	ZINC000336548212	high	5.9	-7.38	0	273.38	2.125	0	3	3	CN(C)[C@H]1CCCN(C(=O)c2ccc(C3CC3)cn2)C1
214182000	ZINC000293527802	ref	1.23	-14.02	0	358.322	0.086	2	7	7	COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(F)c(OC)cc1OC)OC
365630337	ZINC000336549149	ref	4.46	-17.27	0	280.278	2.037	1	4	2	O=C(N[C@H]1CCCC(F)(F)C1)c1cnn2ncccc12
365630349	ZINC000336548997	ref	5.4	-11.19	0	280.29	2.103	0	2	2	CN(CCC(F)(F)F)C(=O)N1CC2(CCOCC2)C1
365630325	ZINC000172880565	low	5.07	-50.68	1	290.367	1.124	1	5	4	COC[C@H]1C[N@H+](Cc2cnc3c(c2)c(C)nn3C)CCO1
365630326	ZINC000172880565	low	5.51	-52.89	1	290.367	1.124	1	5	4	COC[C@H]1C[N@@H+](Cc2cnc3c(c2)c(C)nn3C)CCO1
365630330	ZINC000172881106	ref	3.7	-11.42	0	292.379	1.589	1	4	5	COC[C@@H]1CN(CC(=O)Nc2ccc(C)cc2C)CCO1
343994886	ZINC000079956286	ref	3.96	-13.36	0	284.319	2.222	2	4	5	Cc1noc(CCCNC(=O)c2cccc3cc[nH]c23)n1
365630335	ZINC000172878483	ref	4.89	-13.13	0	250.298	1.928	2	4	5	CCOC(=O)CNc1ccc(C)c(NC(C)=O)c1
365630344	ZINC000565351747	ref	6.51	-13.31	0	274.236	1.646	1	6	4	COc1cnc(NC(=O)c2ccc([N+](=O)[O-])cc2)nc1
230722661	ZINC000414268684	ref	8.08	-12.93	0	307.459	3.289	0	2	6	CCCC[S@](=O)[C@@H](C(=O)N1CCCCC1)c1ccccc1
230722664	ZINC000414269955	ref	7.06	-16.37	0	311.472	3.101	0	3	4	C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[S@@](=O)C1CCC1
365630353	ZINC000172879855	ref	4.02	-6.88	0	265.353	1.803	0	4	7	COC[C@H]1CN(CCCOc2ccccc2)CCO1
230722667	ZINC000414269827	ref	5.23	-19.52	0	308.23	3.016	1	2	5	CC(C)NC(=O)CC[S@@](=O)c1ccc(Cl)cc1Cl
365630358	ZINC000172879855	mid	5.87	-42.9	1	265.353	1.803	1	3	7	COC[C@H]1C[N@H+](CCCOc2ccccc2)CCO1
365630362	ZINC000172879855	mid	6.29	-42.83	1	265.353	1.803	1	3	7	COC[C@H]1C[N@@H+](CCCOc2ccccc2)CCO1
230722677	ZINC000414269958	ref	8.24	-21.33	0	311.472	3.101	0	3	4	C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[S@](=O)C1CCC1
299072115	ZINC000354602606	high	-1.06	-55.03	-1	328.365	0.157	2	4	6	O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@H]1C=C[C@@H](CO)C1
365630366	ZINC000172879172	ref	2.29	-10.34	0	289.335	1.584	0	6	5	COC[C@H]1CN(Cc2nc(-c3ccccc3)no2)CCO1
365630372	ZINC000172880161	ref	3.73	-6.66	0	265.353	1.585	0	4	6	COC[C@H]1CN(CCc2ccc(OC)cc2)CCO1
365630378	ZINC000172880161	mid	5.59	-45.32	1	265.353	1.585	1	3	6	COC[C@H]1C[N@H+](CCc2ccc(OC)cc2)CCO1
365630379	ZINC000172880161	mid	6.0	-44.3	1	265.353	1.585	1	3	6	COC[C@H]1C[N@@H+](CCc2ccc(OC)cc2)CCO1
342087269	ZINC000625363167	high	2.16	-6.33	0	282.306	1.412	1	3	6	COCCN1CC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1
365630384	ZINC000172880481	ref	1.36	-46.24	-1	299.396	1.268	1	4	5	C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1ncc[n-]1
342087270	ZINC000625363042	ref	4.61	-47.92	1	288.294	1.668	2	3	6	COCC[N@@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1
342087271	ZINC000625363042	mid	4.38	-47.61	1	288.294	1.668	2	3	6	COCC[N@H+]1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1
342087272	ZINC000625363042	mid	1.84	-12.05	0	288.294	1.668	1	4	6	COCCN1CC[C@H](NC(=O)c2coc(C(F)F)c2)C1
299072116	ZINC000459274462	ref	5.81	-11.0	0	306.406	2.977	2	3	5	COc1ccc(CN(C)C(=O)N[C@@H]2C[C@@]2(C)C(C)C)cc1O
214182002	ZINC000278482620	ref	5.59	-10.72	0	302.403	2.795	2	5	4	Cc1ccc(NC(=O)[C@@H](C)Sc2nccnc2N)c(C)c1
214182005	ZINC000278481448	ref	8.29	-9.44	0	301.394	2.501	2	4	6	CC[C@H](NC(=O)NCc1ncnn1-c1ccccc1)C(C)C
342087273	ZINC000625362931	ref	4.55	-41.24	1	288.294	1.668	2	3	6	COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1
342087274	ZINC000625362931	mid	4.4	-40.85	1	288.294	1.668	2	3	6	COCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1
342087275	ZINC000625362931	mid	2.16	-7.82	0	288.294	1.668	1	4	6	COCCN1CC[C@@H](NC(=O)c2ccc(C(F)F)o2)C1
214182007	ZINC000278480239	ref	7.92	-47.58	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1
214182009	ZINC000278480239	mid	7.94	-43.92	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1
342087276	ZINC000625362738	ref	4.9	-16.23	0	291.269	1.87	1	3	8	COCc1cc(CNC(=O)COCC(F)F)ccc1F
214182013	ZINC000278482158	ref	7.12	-14.63	0	318.396	3.003	1	5	6	CCOc1ccc(CN[C@H]2CCCn3nc(CC)nc32)cc1F
214182015	ZINC000278482158	low	8.61	-52.66	1	318.396	3.003	1	4	6	CCOc1ccc(C[NH2+][C@H]2CCCn3nc(CC)nc32)cc1F
214182017	ZINC000278481540	ref	1.93	-49.79	1	305.296	2.058	2	3	7	OCC[C@@]1([NH2+]Cc2ccc(OC(F)F)c(F)c2)CCOC1
214182019	ZINC000278481540	high	0.87	-9.17	0	305.296	2.058	2	4	7	OCC[C@@]1(NCc2ccc(OC(F)F)c(F)c2)CCOC1
214182020	ZINC000278482566	ref	6.3	-10.09	0	316.401	1.818	1	4	5	COC(=O)C[C@H]1C(=O)NCCN1Cc1ccc(C2CCC2)cc1
214182022	ZINC000278482566	low	8.7	-52.01	1	316.401	1.818	2	3	5	COC(=O)C[C@H]1C(=O)NCC[N@H+]1Cc1ccc(C2CCC2)cc1
214182023	ZINC000278482566	low	8.09	-45.74	1	316.401	1.818	2	3	5	COC(=O)C[C@H]1C(=O)NCC[N@@H+]1Cc1ccc(C2CCC2)cc1
342087277	ZINC000609024416	ref	6.26	-12.65	0	263.293	1.377	1	4	5	COC(=O)COc1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1
342087278	ZINC000046774371	ref	5.12	-13.21	0	281.381	1.278	0	4	4	CCN1C[C@H](C(=O)N(C)Cc2cnc(C)s2)CC1=O
259309320	ZINC000394178732	ref	3.2	-7.15	0	213.321	1.413	2	2	6	CC[C@@H]1C[C@H]1C(=O)NC[C@@H](CO)C(C)C
342087279	ZINC000625362785	ref	5.14	-8.02	0	294.351	1.041	0	4	4	Cc1ccc(CN(C)C(=O)C(=O)N(C)CC2(C)COC2)o1
295666160	ZINC000412982689	ref	7.13	-10.21	0	306.431	2.916	1	5	6	CC(C)[C@H](C)Sc1nc2ccccc2c(=O)n1CCCO
295666161	ZINC000412981914	ref	7.97	-15.04	0	309.782	2.717	0	7	5	Cn1c(SCCn2cc(Cl)cn2)nnc1-c1ccco1
349534177	ZINC000162006010	ref	-0.33	-96.34	2	243.351	-0.459	3	2	5	CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1
365630331	ZINC000625058958	ref	4.75	-11.2	0	320.418	2.124	1	5	5	CC[C@@H]1CCC[C@H]1NS(=O)(=O)c1cnnn1-c1ccccc1
365630338	ZINC000625058958	high	4.64	-40.06	-1	320.418	2.124	0	5	5	CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cnnn1-c1ccccc1
365630342	ZINC000625060128	ref	3.38	-12.21	0	319.373	2.367	1	3	5	Cc1ccc(S(=O)(=O)N[C@H](C)C[C@H]2CCOC2)c(F)c1F
365630350	ZINC000625060128	high	3.69	-44.2	-1	319.373	2.367	0	3	5	Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@H]2CCOC2)c(F)c1F
365630355	ZINC000625059098	ref	6.42	-15.46	0	310.344	2.228	1	2	5	CCN(Cc1c(F)cccc1F)C(=O)[C@H](C)[C@@H]1CCC(=O)N1
365630364	ZINC000625062423	ref	8.03	-35.37	1	318.461	2.39	1	3	6	c1ccc(C[N@H+]2CCCN(CCOC3CCOCC3)CC2)cc1
230722678	ZINC000450364931	ref	7.74	-23.15	0	300.318	1.888	1	5	4	C[C@@H]1C[C@H]1N1C[C@@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC1=O
230722682	ZINC000450365809	ref	6.37	-18.34	0	302.29	1.414	1	6	4	CC(C)N1C(=O)C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])C1=O
342594334	ZINC000616960253	ref	3.4	-20.01	0	282.727	1.357	2	3	4	CCOc1cc(Cl)ccc1C(=O)N[C@H]1CCNC1=O
342594335	ZINC000590780543	ref	7.44	-15.82	0	293.346	1.982	0	6	3	CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1
365630371	ZINC000625062423	mid	7.69	-34.69	1	318.461	2.39	1	3	6	c1ccc(C[N@@H+]2CCCN(CCOC3CCOCC3)CC2)cc1
178299200	ZINC000057531607	ref	8.62	-42.92	-1	217.268	2.67	0	3	3	Cc1cc2ccccc2n1C[C@H](C)C(=O)[O-]
342594336	ZINC000616960544	ref	2.41	-19.7	0	269.304	1.162	2	3	2	Cc1ccc2cc(C(=O)N[C@@H]3CCNC3=O)ccc2n1
365630376	ZINC000625062423	mid	6.2	-4.05	0	318.461	2.39	1	3	6	c1ccc(CN2CCC[N@@H+](CCOC3CCOCC3)CC2)cc1
342594337	ZINC000590781339	ref	4.29	-10.11	0	265.382	1.994	0	5	6	COCCN(CC#N)Cc1nc2c(s1)CCCC2
136229007	ZINC000232465893	ref	5.25	-37.38	1	236.384	2.467	2	2	3	c1cc2c(s1)CCC[C@@H]2NC[C@H]1CCC[NH2+]1
365630381	ZINC000625062423	mid	7.69	-34.69	1	318.461	2.39	1	3	6	c1ccc(CN2CCC[N@H+](CCOC3CCOCC3)CC2)cc1
342594338	ZINC000616960426	ref	3.79	-21.87	0	294.301	1.391	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1
178299202	ZINC000063105449	ref	9.32	-8.4	0	239.322	3.139	0	3	3	Cc1cc2ccccc2nc1N(C)C[C@@H](C)C#N
214182003	ZINC000293532614	ref	0.46	-10.54	0	371.459	0.252	1	7	5	COC(=O)c1cc(S(=O)(=O)N2CCN(C[C@@H](C)O)[C@@H](C)C2)cnc1C
214182004	ZINC000293532614	low	2.46	-45.72	1	371.459	0.252	2	6	5	COC(=O)c1cc(S(=O)(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)cnc1C
178299208	ZINC000071173516	ref	7.84	-55.75	-1	242.278	2.064	0	4	2	Cc1cc2ccccc2nc1N1CC(C(=O)[O-])C1
214182006	ZINC000293532614	low	2.27	-44.67	1	371.459	0.252	2	6	5	COC(=O)c1cc(S(=O)(=O)N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)cnc1C
178299212	ZINC000071173516	low	9.26	-40.75	0	242.278	2.064	0	3	2	Cc1cc2ccccc2[nH+]c1N1CC(C(=O)[O-])C1
214182008	ZINC000293530352	ref	4.73	-48.09	1	360.462	0.88	3	6	7	CCn1cc(-c2nn(C)cc2C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cn1
214182010	ZINC000293530352	high	2.34	-15.03	0	360.462	0.88	2	7	7	CCn1cc(-c2nn(C)cc2C(=O)N[C@@H](CO)CN2CCCCC2)cn1
214182012	ZINC000293531570	ref	5.02	-14.42	0	371.441	0.806	1	6	6	CCn1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)n1
178299216	ZINC000063106503	ref	5.9	-7.82	0	230.311	2.36	1	3	3	Cc1cc2ccccc2nc1N(C)C[C@H](C)O
178299219	ZINC000063106503	low	6.37	-22.73	1	230.311	2.36	1	2	3	Cc1cc2ccccc2[nH+]c1N(C)C[C@H](C)O
214182014	ZINC000293529583	ref	3.07	-30.37	0	358.402	0.631	2	7	6	COCCn1nnc2c1CCN(CC(=O)NC(=O)Nc1ccccc1)C2
349534178	ZINC000594968315	ref	6.05	-52.97	1	290.432	2.947	2	1	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1
199272977	ZINC000294963031	ref	10.1	-7.53	0	264.332	3.399	1	4	4	C[C@@H](Nc1nccc(C#N)n1)c1cccc(C2CC2)c1
398248032	ZINC000651457574	ref	6.41	-9.52	0	286.375	3.47	1	4	7	COc1cccc2c(N[C@H](C)COCC3CC3)ccnc12
342087280	ZINC000625363750	ref	2.91	-10.38	0	277.353	1.562	1	6	5	CCc1nc(CNC(=O)c2cn(C3CC3)nn2)cs1
214190602	ZINC000337636520	mid	3.27	-41.65	1	280.416	0.866	3	2	6	O=C(NCCN1CCC1)NC1CC[NH+](CC2CC2)CC1
199272979	ZINC000294964223	ref	6.68	-15.93	0	294.233	2.202	2	4	5	CC(C)(CCC(=O)Nc1nc(C(F)(F)F)c[nH]1)[N+](=O)[O-]
178299222	ZINC000063106505	ref	6.08	-9.51	0	242.322	2.362	1	3	2	Cc1cc2ccccc2nc1N1CC[C@H](CO)C1
178299224	ZINC000063106505	low	6.47	-23.89	1	242.322	2.362	1	2	2	Cc1cc2ccccc2[nH+]c1N1CC[C@H](CO)C1
178299228	ZINC000063106398	ref	5.9	-49.76	1	229.327	2.692	2	2	3	Cc1cc2ccccc2nc1NC(C)(C)C[NH3+]
214182018	ZINC000293536943	ref	2.41	-10.83	0	357.313	0.331	3	5	5	CCOC(=O)c1cc(F)c(F)cc1NC(=O)C(=O)N[C@@H](C)C(=O)NC
349535941	ZINC000621246212	ref	4.14	-32.83	1	267.373	2.068	1	4	6	C[NH2+][C@H](C)Cc1noc(C2(COC)CCCCC2)n1
197590662	ZINC000290085362	ref	6.33	-44.05	1	280.437	2.53	2	2	5	CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC(C)(C)c1cccs1
214182021	ZINC000293525877	ref	8.78	-24.14	0	362.434	0.344	1	6	4	CN(C)C(=O)Cn1cnc(NC(=O)C(=O)N2CC(C3CCCCC3)C2)n1
214182024	ZINC000293530666	ref	4.38	-14.49	0	360.414	0.891	2	6	5	COC1(CCNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CCC1
214182026	ZINC000293530497	ref	5.8	-37.2	1	363.462	0.801	2	5	5	COCCn1cc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cn1
214182029	ZINC000293530497	mid	6.31	-36.05	1	363.462	0.801	2	5	5	COCCn1cc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cn1
185087364	ZINC000096071904	mid	8.89	-38.6	1	290.407	2.955	1	2	2	CC(=O)N1CCCC[C@]12CCC[N@@H+](Cc1ccc(C)o1)C2
342087281	ZINC000625363595	ref	6.85	-19.85	0	286.335	1.391	1	4	5	CN(CCN(C)c1ccccc1)C(=O)c1cc(=O)[nH]cn1
190493063	ZINC000269418028	ref	7.5	-9.89	0	286.375	2.145	1	2	2	CO[C@H]1CCN(C(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)C1
342087282	ZINC000625363595	high	5.7	-45.95	-1	286.335	1.391	0	4	5	CN(CCN(C)c1ccccc1)C(=O)c1cc(=O)[n-]cn1
342087283	ZINC000625363416	ref	0.7	-10.43	0	290.367	1.423	1	5	4	NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1Cc1noc(C2CCC2)n1
342087284	ZINC000622702071	ref	3.2	-15.95	0	290.363	1.441	2	3	6	COc1cccc([C@H](C)CC(=O)NC[C@@H]2CNC(=O)C2)c1
342087285	ZINC000609025281	ref	5.68	-10.42	0	264.325	1.946	2	3	4	CCOC(=O)c1[nH]c(C)c(C(=O)N[C@@H]2C[C@@H]2C)c1C
342087286	ZINC000625363356	ref	1.14	-45.79	1	289.282	1.063	2	4	6	COCC[N@@H+]1CC[C@H](NC(=O)c2ocnc2C(F)F)C1
342087287	ZINC000625363356	mid	0.92	-45.65	1	289.282	1.063	2	4	6	COCC[N@H+]1CC[C@H](NC(=O)c2ocnc2C(F)F)C1
342087288	ZINC000625363356	mid	-1.63	-11.14	0	289.282	1.063	1	5	6	COCCN1CC[C@H](NC(=O)c2ocnc2C(F)F)C1
342087289	ZINC000625363390	ref	5.36	-32.84	1	266.385	1.387	2	2	6	CCO[C@H](C[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC1
342087290	ZINC000625363390	mid	4.86	-32.84	1	266.385	1.387	2	2	6	CCO[C@H](C[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O)C1CC1
342087291	ZINC000625363916	ref	6.1	-9.61	0	299.378	1.727	1	5	6	CNc1cnc(C(=O)N(C)CCN(C)c2ccccc2)cn1
342087292	ZINC000625363415	ref	0.64	-11.02	0	290.367	1.423	1	5	4	NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1Cc1noc(C2CCC2)n1
342087293	ZINC000625363335	ref	7.57	-42.55	1	254.374	1.356	1	2	6	CCO[C@@H](C[N@@H+]1CCCN(CC)C(=O)C1)C1CC1
343994888	ZINC000599274808	ref	7.28	-40.52	1	287.4	1.703	1	4	9	COC(=O)CC[N@H+](CCOC1CCOCC1)CC(C)C
342087294	ZINC000625363335	mid	7.58	-41.06	1	254.374	1.356	1	2	6	CCO[C@@H](C[N@H+]1CCCN(CC)C(=O)C1)C1CC1
214182028	ZINC000278481743	ref	7.87	-15.53	0	315.373	2.405	1	5	6	COC(C)(C)CC(=O)Nc1ccc(C(=O)c2nccn2C)cc1
214182032	ZINC000278481496	ref	6.11	-16.64	0	305.422	2.319	2	3	4	Cc1ccc(CNC(=O)NC[C@H]2CCCC[C@@H]2C)c(=O)n1C
342087295	ZINC000625363335	high	5.28	-10.22	0	254.374	1.356	0	3	6	CCO[C@@H](CN1CCCN(CC)C(=O)C1)C1CC1
214182034	ZINC000278481923	ref	8.09	-40.18	1	312.404	3.116	2	2	6	C[C@@H]1C[N@H+](CCCN[C@H](C)c2ccc(F)cc2F)CCCO1
214182036	ZINC000278481923	mid	8.07	-38.47	1	312.404	3.116	2	2	6	C[C@@H]1C[N@@H+](CCCN[C@H](C)c2ccc(F)cc2F)CCCO1
214182038	ZINC000278481923	mid	6.87	-46.24	1	312.404	3.116	1	2	6	C[C@@H]1CN(CCC[NH2+][C@H](C)c2ccc(F)cc2F)CCCO1
342087296	ZINC000625363845	ref	1.89	-16.78	0	264.31	1.131	2	5	4	CCc1nc(CNC(=O)c2cc(=O)[nH]cn2)cs1
214182039	ZINC000278481923	low	9.11	-120.3	2	312.404	3.116	2	1	6	C[C@@H]1C[N@H+](CCC[NH2+][C@H](C)c2ccc(F)cc2F)CCCO1
342087297	ZINC000625363845	high	0.73	-42.85	-1	264.31	1.131	1	5	4	CCc1nc(CNC(=O)c2cc(=O)[n-]cn2)cs1
214182042	ZINC000278481923	low	9.08	-117.06	2	312.404	3.116	2	1	6	C[C@@H]1C[N@@H+](CCC[NH2+][C@H](C)c2ccc(F)cc2F)CCCO1
214182045	ZINC000278481651	ref	8.47	-13.65	0	301.39	2.993	1	4	6	COC(C)(C)CC(=O)Nc1cc(C)nn1Cc1ccccc1
214182047	ZINC000278482500	ref	9.36	-17.95	0	300.362	2.177	1	5	5	Cc1ccc(OCC(=O)Nc2cc(N(C)C)ncn2)cc1C
282121685	ZINC000151626851	high	4.96	-10.92	0	302.422	2.331	1	3	3	Cc1cccc([C@@H]2CCCN2C(=O)NC[C@H]2CCCN2C)n1
342087298	ZINC000609024649	ref	8.04	-17.79	0	286.441	1.845	0	3	4	CC(C)SCC(=O)N1CCCN(C(=O)C(C)C)CC1
214182050	ZINC000278480637	ref	9.99	-31.41	1	308.416	3.327	2	1	7	FC(F)[C@@H](Cc1ccccc1)NCC1CC[NH+](C2CC2)CC1
214182052	ZINC000278480637	mid	11.07	-93.56	2	308.416	3.327	2	0	7	FC(F)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CC2)CC1
342087299	ZINC000625363413	ref	1.36	-13.79	0	290.367	1.423	1	5	4	NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1Cc1noc(C2CCC2)n1
342087300	ZINC000625363333	ref	4.53	-8.64	0	296.367	1.247	1	4	6	CCC(O)(CC)CN(C)C(=O)C(=O)N(C)Cc1ccco1
136229008	ZINC000232465893	low	6.5	-125.22	2	236.384	2.467	2	1	3	c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1
136229009	ZINC000292813816	ref	8.28	-32.17	1	234.343	2.365	1	2	6	C=CCOCC[N@H+]1CCC[C@@H]1c1cccn1C
365630339	ZINC000617411194	ref	2.88	-53.36	1	290.367	0.679	4	2	4	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1
178299223	ZINC000237137391	ref	4.98	-48.44	-1	357.288	1.966	1	6	6	COCCNC(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1
365630345	ZINC000617411194	mid	2.35	-50.4	1	290.367	0.679	4	2	4	C[N@H+]1CCC[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1
282121687	ZINC000449151968	high	6.52	-8.04	0	294.439	2.325	1	3	6	C[C@H](NC1CC1)C(=O)N1CCC(OCC2CCCC2)CC1
282121693	ZINC000449152259	ref	6.44	-41.22	1	295.427	2.44	2	3	7	CCc1noc(CC)c1CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C
365630347	ZINC000617411194	mid	-0.01	-14.65	0	290.367	0.679	3	3	4	CN1CCC[C@@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1
365630356	ZINC000617414628	ref	5.58	-48.16	1	296.4	0.31	2	6	5	C[N@@H+]1CCC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1
365630368	ZINC000617414628	mid	5.04	-47.05	1	296.4	0.31	2	6	5	C[N@H+]1CCC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1
365630370	ZINC000617414628	mid	2.69	-11.3	0	296.4	0.31	1	7	5	CN1CCC[C@@H](NC(=O)CSc2nnnn2C2CC2)C1
136229010	ZINC000292813816	mid	7.89	-30.49	1	234.343	2.365	1	2	6	C=CCOCC[N@@H+]1CCC[C@@H]1c1cccn1C
365630377	ZINC000617415107	ref	4.84	-44.4	1	270.373	0.783	2	3	6	C[N@@H+]1CCC[C@@H](NC(=O)CCOC[C@@H]2CCCO2)C1
365630385	ZINC000617415107	mid	4.31	-42.84	1	270.373	0.783	2	3	6	C[N@H+]1CCC[C@@H](NC(=O)CCOC[C@@H]2CCCO2)C1
136229011	ZINC000292813816	high	5.61	-3.87	0	234.343	2.365	0	3	6	C=CCOCCN1CCC[C@@H]1c1cccn1C
349534180	ZINC000093234537	low	4.61	-42.48	1	292.383	0.667	2	3	6	C[C@H](NC(=O)C[N@H+](C)[C@H](C)c1cccnc1)C(=O)N(C)C
365630389	ZINC000617415107	high	1.95	-9.59	0	270.373	0.783	1	4	6	CN1CCC[C@@H](NC(=O)CCOC[C@@H]2CCCO2)C1
178299227	ZINC000237137590	ref	4.91	-46.2	1	373.526	1.492	2	5	7	C[N@H+](CCN1CCN(C(=O)c2csc(CN)n2)CC1)Cc1ccccc1
349534183	ZINC000093234537	low	4.62	-40.37	1	292.383	0.667	2	3	6	C[C@H](NC(=O)C[N@@H+](C)[C@H](C)c1cccnc1)C(=O)N(C)C
349534186	ZINC000093257041	ref	4.13	-8.45	0	291.37	0.958	0	3	2	CN1CCN(C(=O)CN2CCc3cc(F)ccc3C2)CC1
365630395	ZINC000617414847	ref	6.31	-49.3	1	281.4	0.844	2	2	2	C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1
178305748	ZINC000019280569	ref	6.7	-53.86	1	229.327	2.705	1	2	1	Cc1cc2ncn([C@H]3CCC[C@@H]3[NH3+])c2cc1C
365630405	ZINC000617414847	mid	5.79	-47.39	1	281.4	0.844	2	2	2	C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1
230722701	ZINC000425407140	ref	4.27	-20.02	0	324.446	2.262	2	3	8	CS(=O)(=O)CCCCNC(=O)N[C@H](c1ccccc1)C1CC1
361823210	ZINC000351631382	mid	6.38	-37.08	1	298.427	1.419	2	3	6	CC[N@H+]1CCO[C@H](C(=O)NCCO[C@@H]2CCCC[C@H]2C)C1
230722705	ZINC000425402509	ref	3.98	-13.64	0	302.378	2.36	2	4	5	CC(C)Oc1ccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)cn1
342087301	ZINC000625363729	ref	3.4	-16.39	0	264.297	1.603	1	4	7	CCc1nc(CNC(=O)COCC(F)F)cs1
230722708	ZINC000425401319	ref	5.67	-13.13	0	310.438	2.404	1	3	6	COCCCCNC(=O)N1CC2(CCC2)[C@@H]1C1CCOCC1
361823216	ZINC000351629943	ref	4.09	-17.68	0	287.279	1.075	2	6	4	CCn1cnnc1CNC(=O)c1ccc2oc(=O)[nH]c2c1
361823223	ZINC000351631423	ref	7.31	-52.27	1	275.396	1.862	2	2	8	C[N@H+](CCCNC(=O)C1CCC1)CCc1ccncc1
361823231	ZINC000351631423	mid	7.31	-52.31	1	275.396	1.862	2	2	8	C[N@@H+](CCCNC(=O)C1CCC1)CCc1ccncc1
282952126	ZINC000418215188	ref	4.36	-48.13	1	324.469	1.45	3	2	6	CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21
342087302	ZINC000622702117	ref	8.14	-17.68	0	296.334	1.414	1	6	5	CCn1ccc(CNC(=O)c2ccc(-n3cnnc3)cc2)n1
361823240	ZINC000351633596	ref	2.25	-10.59	0	297.424	1.874	3	4	8	C/C=C\C[C@@H](CO)NC(=O)NCCc1ncc(CC)s1
342087303	ZINC000625363414	ref	1.2	-14.34	0	290.367	1.423	1	5	4	NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1Cc1noc(C2CCC2)n1
342087304	ZINC000625363049	ref	-1.13	-7.78	0	271.744	1.627	2	4	3	C[C@@H]1CN(Cc2cc(O)ccc2Cl)C[C@H](CO)O1
342087305	ZINC000625363049	high	-0.39	-42.33	-1	271.744	1.627	1	4	3	C[C@@H]1CN(Cc2cc([O-])ccc2Cl)C[C@H](CO)O1
342087306	ZINC000046774374	ref	5.18	-14.13	0	281.381	1.278	0	4	4	CCN1C[C@@H](C(=O)N(C)Cc2cnc(C)s2)CC1=O
361823250	ZINC000351630734	ref	1.58	-11.91	0	280.372	1.677	1	5	7	Cc1nc([C@@H](C)N(C)CCCNC(=O)C2CCC2)no1
361823257	ZINC000351630734	low	3.83	-42.39	1	280.372	1.677	2	4	7	Cc1nc([C@@H](C)[N@H+](C)CCCNC(=O)C2CCC2)no1
361823265	ZINC000351630734	low	3.85	-41.63	1	280.372	1.677	2	4	7	Cc1nc([C@@H](C)[N@@H+](C)CCCNC(=O)C2CCC2)no1
361823270	ZINC000351630901	ref	2.15	-7.35	0	294.326	1.885	3	3	5	C/C=C/C[C@H](CO)NC(=O)N[C@@H]1COc2ccc(F)cc21
361823277	ZINC000351631504	ref	2.6	-9.54	0	286.303	1.064	1	6	5	CCOC(=O)c1c(CN2C[C@@H](F)C[C@@H]2CO)noc1C
361823284	ZINC000351631339	ref	2.84	-18.0	0	276.336	1.27	2	4	7	COC[C@](C)(CCO)NC(=O)c1ccc(CC#N)cc1
361823293	ZINC000351630902	ref	2.15	-7.78	0	294.326	1.885	3	3	5	C/C=C/C[C@H](CO)NC(=O)N[C@H]1COc2ccc(F)cc21
214182031	ZINC000293530497	high	3.89	-8.62	0	363.462	0.801	1	6	5	COCCn1cc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)cn1
178299229	ZINC000237137590	mid	4.92	-46.25	1	373.526	1.492	2	5	7	C[N@@H+](CCN1CCN(C(=O)c2csc(CN)n2)CC1)Cc1ccccc1
214182033	ZINC000293527798	ref	1.3	-14.3	0	358.322	0.086	2	7	7	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(F)c(OC)cc1OC)OC
365630340	ZINC000576581349	ref	4.23	-96.8	2	239.363	0.583	2	1	1	C[C@H]1C[C@@H](C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1
214182035	ZINC000293539450	ref	4.44	-64.8	1	359.426	0.783	2	4	6	COc1cc(/C=C/C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1OCC(N)=O
365630343	ZINC000576581349	high	2.9	-45.43	1	239.363	0.583	2	2	1	C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)CN1
365630348	ZINC000576580469	ref	3.15	-56.61	1	249.314	0.719	1	3	4	CO[C@@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccccn1
178299230	ZINC000237137590	mid	5.31	-113.69	2	373.526	1.492	2	4	7	C[N@H+](CCN1CCN(C(=O)c2csc(C[NH3+])n2)CC1)Cc1ccccc1
136229012	ZINC000184912031	ref	7.37	-9.14	0	243.306	2.877	1	2	4	C#CCC(C)(C)C(=O)Nc1ccccc1C(C)=O
136229013	ZINC000184917038	ref	7.37	-5.97	0	231.339	3.214	1	1	5	C=C(C)C[C@@H](C)C(=O)NCc1ccccc1C
214182037	ZINC000293527709	ref	4.22	-18.62	0	374.397	0.394	3	6	6	CCOC(=O)Cn1ccc2cc(NC(=O)C(=O)N[C@@H](C)C(=O)NC)ccc21
365630352	ZINC000576580469	high	3.0	-14.64	0	249.314	0.719	1	4	4	CO[C@@H](CN)C(=O)N1CCC[C@H]1c1ccccn1
365630357	ZINC000576584221	ref	4.05	-104.12	2	235.331	0.846	2	2	6	[NH3+]CCOCC[N@@H+]1CC[C@@H](c2cccnc2)C1
178299233	ZINC000237137590	mid	5.32	-113.8	2	373.526	1.492	2	4	7	C[N@@H+](CCN1CCN(C(=O)c2csc(C[NH3+])n2)CC1)Cc1ccccc1
178299236	ZINC000237137590	high	2.58	-8.62	0	373.526	1.492	1	6	7	CN(CCN1CCN(C(=O)c2csc(CN)n2)CC1)Cc1ccccc1
178299238	ZINC000237136480	ref	8.31	-87.6	2	358.53	1.652	2	2	7	C[N@H+](CCN1CCN(C(=O)CC2CC[NH2+]CC2)CC1)Cc1ccccc1
178299241	ZINC000237136480	mid	8.3	-87.64	2	358.53	1.652	2	2	7	C[N@@H+](CCN1CCN(C(=O)CC2CC[NH2+]CC2)CC1)Cc1ccccc1
214182040	ZINC000293532146	ref	0.04	-20.63	0	352.416	0.955	2	6	7	CCc1nocc1CN(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
365630360	ZINC000576584221	mid	3.85	-102.33	2	235.331	0.846	2	2	6	[NH3+]CCOCC[N@H+]1CC[C@@H](c2cccnc2)C1
349534181	ZINC000623669587	high	3.25	-4.98	0	251.374	1.841	2	4	4	Cn1nccc1CN[C@@]1(CO)CCCC(C)(C)C1
365630363	ZINC000576584221	high	1.65	-45.5	1	235.331	0.846	1	3	6	[NH3+]CCOCCN1CC[C@@H](c2cccnc2)C1
214182041	ZINC000293531086	ref	1.44	-11.0	0	374.434	0.609	1	6	5	COC(=O)c1cc(S(=O)(=O)N2CCCN(CCO)CC2)c(F)cc1C
214182043	ZINC000293531086	low	3.52	-42.06	1	374.434	0.609	2	5	5	COC(=O)c1cc(S(=O)(=O)N2CCC[N@H+](CCO)CC2)c(F)cc1C
342594339	ZINC000616960506	ref	2.03	-22.79	0	274.654	1.237	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(F)c(Cl)c1F
349534182	ZINC000602429416	ref	6.31	-5.35	0	245.363	1.932	0	4	9	CCCN(CC(=O)OC)C[C@H](OC)[C@@H](C)CC
342594340	ZINC000616960404	ref	3.67	-19.05	0	298.346	1.107	2	4	3	Cc1ccc(-n2nc(C(=O)N[C@H]3CCNC3=O)cc2C)cc1
342594341	ZINC000590780552	ref	7.52	-12.9	0	293.346	1.766	0	6	3	CCn1c(N2CC[C@@](F)(C#N)C2)nnc1[C@@]1(C)CCCO1
214182044	ZINC000293531086	low	4.0	-41.0	1	374.434	0.609	2	5	5	COC(=O)c1cc(S(=O)(=O)N2CCC[N@@H+](CCO)CC2)c(F)cc1C
342594342	ZINC000616960368	ref	3.61	-16.13	0	280.755	1.523	2	2	4	C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
342594343	ZINC000590779254	ref	5.35	-51.05	1	269.348	1.804	2	2	2	N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCCNC1=O
342594344	ZINC000590779254	high	4.58	-10.6	0	269.348	1.804	2	3	2	N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCCNC1=O
214182046	ZINC000293539560	ref	-0.44	-13.99	0	372.418	0.835	3	5	4	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1F
259309321	ZINC000394173822	ref	2.71	-9.39	0	248.326	1.476	2	3	6	CC(C)[C@@H](CO)CNC(=O)/C=C/c1cccnc1
342594345	ZINC000616960356	ref	4.6	-18.28	0	294.782	1.913	2	2	5	C[C@H](CC(=O)N[C@@H]1CCNC1=O)Cc1ccc(Cl)cc1
342594346	ZINC000616960244	ref	1.66	-17.04	0	276.34	1.076	3	3	3	O=C(N[C@@H]1CCNC1=O)c1cc(C2CCCCC2)n[nH]1
190493068	ZINC000269417742	ref	6.23	-10.52	0	267.398	2.33	1	3	3	CCc1n[nH]cc1C(=O)N1CCCC[C@@H](SC)C1
342594347	ZINC000616960330	ref	3.96	-18.98	0	278.377	1.346	2	3	5	CCSc1ccc(CC(=O)N[C@H]2CCNC2=O)cc1
214182049	ZINC000293526242	ref	4.34	-14.82	0	363.155	0.849	1	5	2	Cn1ncc(I)c1C(=O)N[C@H]1CC(C)(C)OC1=O
282952278	ZINC000418463991	ref	0.64	-37.53	1	315.458	1.369	4	3	9	CCCC[C@H](C[NH3+])NC(=O)N[C@@]1(CO)C[C@@H](OCC)C1(C)C
342594348	ZINC000616960319	ref	3.92	-16.59	0	258.321	1.351	2	2	5	C=C[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1
219047742	ZINC000350693496	ref	6.97	-14.18	0	278.4	2.41	1	3	6	CC(C)[C@H]1N(C(=O)CCCCc2c[nH]nn2)CC1(C)C
342594349	ZINC000616960298	ref	2.75	-16.61	0	264.35	1.173	2	3	2	O=C1NCC[C@@H]1NC(=O)[C@H]1CCCc2sccc21
342594350	ZINC000616960545	ref	2.41	-19.68	0	269.304	1.162	2	3	2	Cc1ccc2cc(C(=O)N[C@H]3CCNC3=O)ccc2n1
178299232	ZINC000063105584	ref	8.59	-6.68	0	226.323	3.898	1	2	2	Cc1cc2ccccc2nc1NC1CCCC1
178299235	ZINC000063105584	low	8.9	-23.06	1	226.323	3.898	1	1	2	Cc1cc2ccccc2[nH+]c1NC1CCCC1
178299239	ZINC000090281622	ref	0.78	-9.39	0	232.283	1.308	3	4	4	Cc1cc2ccccc2nc1NC[C@@H](O)CO
365630354	ZINC000336549148	ref	4.46	-17.22	0	280.278	2.037	1	4	2	O=C(N[C@@H]1CCCC(F)(F)C1)c1cnn2ncccc12
365630359	ZINC000336549239	ref	5.81	-6.49	0	250.317	2.474	0	3	2	Fc1cccnc1N1CCC[C@H]([C@H]2CCOC2)C1
282121688	ZINC000248966058	ref	3.02	-15.69	0	312.435	1.918	1	4	6	CC(C)[C@H](CNS(=O)(=O)[C@H]1CCO[C@@H]1C)c1cccnc1
178299240	ZINC000090281622	low	1.11	-29.08	1	232.283	1.308	3	3	4	Cc1cc2ccccc2[nH+]c1NC[C@@H](O)CO
282121694	ZINC000248966919	ref	1.6	-7.86	0	319.405	1.863	2	6	8	CCc1ccc(-c2noc(CN(C[C@@H](C)O)[C@H](C)CO)n2)cc1
282121699	ZINC000248966919	mid	2.48	-39.79	1	319.405	1.863	3	5	8	CCc1ccc(-c2noc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)n2)cc1
398248033	ZINC000649442318	ref	5.8	-8.56	0	243.31	2.754	0	4	5	CCn1nccc1-c1cccnc1OCC1CC1
365630365	ZINC000336548241	ref	6.27	-9.42	0	275.348	2.352	1	3	3	CC(=O)c1cc(C(=O)N[C@H]2CCOC[C@H]2C)ccc1C
398248035	ZINC000649442350	ref	8.16	-7.5	0	232.352	3.508	0	3	3	CCSc1ccccc1-c1cn(C)nc1C
178299259	ZINC000302731312	ref	4.66	-16.23	0	229.283	1.465	1	3	3	Cc1cc2ccccc2nc1N(C)CC(N)=O
365630373	ZINC000336548859	ref	5.88	-6.07	0	289.379	2.367	1	3	1	Cc1ncccc1NC(=O)C(=O)N1CCCCC(C)(C)C1
365630380	ZINC000336549280	ref	4.98	-13.07	0	276.327	2.242	1	2	3	COC[C@@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1
365630387	ZINC000336548344	ref	6.86	-10.44	0	261.35	2.091	0	4	2	C[C@@H](C(=O)N1CCn2ccnc2C1)c1cccs1
365630394	ZINC000336548344	low	7.32	-40.4	1	261.35	2.091	0	3	2	C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)c1cccs1
349534184	ZINC000594967566	ref	6.05	-46.14	1	295.448	2.783	1	2	5	COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
365630402	ZINC000336548299	ref	8.42	-11.46	0	287.338	2.243	0	3	3	C[C@H](Cc1ccccc1F)C(=O)N1CCn2ccnc2C1
365630407	ZINC000336548299	low	8.88	-37.61	1	287.338	2.243	0	2	3	C[C@H](Cc1ccccc1F)C(=O)N1CCn2cc[nH+]c2C1
178299263	ZINC000302731312	low	5.28	-26.29	1	229.283	1.465	1	2	3	Cc1cc2ccccc2[nH+]c1N(C)CC(N)=O
178299265	ZINC000104289537	ref	8.81	-8.33	0	222.291	3.393	0	2	2	Cc1cc2ccccc2n1Cc1ccncc1
398248034	ZINC000651457574	low	6.9	-26.13	1	286.375	3.47	1	3	7	COc1cccc2c(N[C@H](C)COCC3CC3)cc[nH+]c12
282121690	ZINC000151636600	ref	6.84	-41.64	1	319.449	2.405	3	2	9	COCCC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1
290622235	ZINC000492521905	ref	5.59	-15.37	0	283.331	2.157	0	4	5	COc1cncc(/C=C/C(=O)N(C)Cc2ccccn2)c1
290622237	ZINC000492519892	ref	6.07	-11.18	0	258.321	2.257	0	3	3	COc1cncc(/C=C/C(=O)N2C3CCC2CC3)c1
290622239	ZINC000492520195	ref	5.93	-42.39	1	288.391	2.254	3	2	6	C[C@@H](CNC(=O)/C=C\c1cccc(O)c1)C[NH+]1CCCC1
197590686	ZINC000290086451	ref	3.68	-5.99	0	259.733	1.711	1	4	7	COC[C@H](O)CN(Cc1ccccc1Cl)OC
342087307	ZINC000609025034	ref	8.08	-18.97	0	286.331	1.952	1	4	4	COC(=O)c1cn(CC(=O)N[C@H]2C[C@H]2C)c2ccccc12
342087308	ZINC000625363046	ref	2.97	-10.62	0	278.352	1.912	1	4	7	CCCOc1ccc(CNC(=O)C2CC(OC)C2)cn1
197590688	ZINC000290088099	ref	5.19	-9.68	0	293.367	2.213	1	4	2	Cc1cc([C@H]2CCCN(C(=O)OC3CCOCC3)C2)[nH]n1
342087309	ZINC000046774980	ref	4.34	-14.95	0	271.342	1.108	0	5	4	COC(=O)N(C)CC(=O)N(C)Cc1cnc(C)s1
197590689	ZINC000290088099	mid	5.09	-10.82	0	293.367	2.213	1	4	2	Cc1cc([C@H]2CCCN(C(=O)OC3CCOCC3)C2)n[nH]1
197590691	ZINC000290087224	ref	6.23	-12.96	0	272.291	2.953	1	3	4	CC(=O)c1ccc(F)c(F)c1OC[C@@H](O)C(C)(C)C
212164571	ZINC000335488183	ref	5.79	-13.24	0	292.326	3.256	0	3	2	Cc1ncc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)s1
212164574	ZINC000335489026	ref	5.33	-10.0	0	251.37	2.496	1	2	1	CC1=C(C)C[C@H](C(=O)N2CCC[C@](C)(O)C2)CC1
212164580	ZINC000335488683	ref	0.2	-15.06	0	277.271	-0.371	2	3	2	CN1C[C@@H](NC(=O)N2CC[C@@](O)(C(F)F)C2)CC1=O
212164583	ZINC000335489233	ref	6.26	-11.02	0	257.28	3.119	1	2	3	Cc1cc([C@@H](C)NC(=O)[C@@]2(C)CC2(F)F)c(C)o1
212164588	ZINC000335488814	ref	5.76	-12.14	0	295.77	3.083	1	4	3	Cc1cc([C@@H](C)NC(=O)c2nn(C)c(C)c2Cl)c(C)o1
212164594	ZINC000335489261	ref	6.96	-11.95	0	282.334	3.079	0	2	3	CC(C)(C(=O)N1CCC[C@H](c2ccncc2)C1)C(F)F
212164596	ZINC000335488389	ref	5.38	-15.46	0	287.331	2.423	0	2	3	O=S(=O)(Cc1cccc(F)c1F)N1CCC12CCC2
212164600	ZINC000335488130	ref	4.78	-39.53	1	297.402	3.231	1	3	3	C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC2(CC[NH2+]2)CC1
212164602	ZINC000335488130	low	6.26	-104.99	2	297.402	3.231	2	2	3	C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CC[NH2+]2)CC1
212164608	ZINC000335488374	ref	4.43	-6.82	0	289.162	3.292	2	2	2	C[C@@H]1C[C@@H](NC(=O)Nc2ccc(Cl)cc2Cl)CO1
365630367	ZINC000576582733	ref	1.71	-16.54	0	201.247	0.272	0	4	2	CCn1cc(S(C)(=O)=O)ccc1=O
342087310	ZINC000609024417	ref	6.26	-12.65	0	263.293	1.377	1	4	5	COC(=O)COc1ccc(C(=O)N[C@H]2C[C@H]2C)cc1
365630374	ZINC000576584875	ref	6.99	-13.09	0	249.314	1.71	0	5	5	CC(C)(C)OCCCCn1cnc(C#N)cc1=O
365630382	ZINC000576583081	ref	1.38	-55.46	1	221.304	0.665	3	2	5	C[C@@H](CC[NH3+])NC(=O)Cc1ccccc1N
365630388	ZINC000576580510	ref	4.85	-6.75	0	248.286	0.374	1	6	5	CCO[C@@H]1C[C@@H](Nc2ncncc2C#N)[C@@H]1OC
342087311	ZINC000625363530	ref	4.9	-8.76	0	273.336	1.122	1	3	4	CN(Cc1cccnc1)C(=O)C(=O)NCC1CC=CC1
342087312	ZINC000625363336	ref	-1.33	-9.38	0	291.307	1.797	1	6	7	CCCOc1ccc(CNC(=O)c2coc(OC)n2)cn1
282121692	ZINC000533466202	low	5.52	-42.54	1	276.384	1.062	2	4	2	C[C@H](O)[C@H]1CCCN(c2ncnc3c2C[N@H+](C)CC3)C1
282121695	ZINC000533466202	low	5.52	-42.48	1	276.384	1.062	2	4	2	C[C@H](O)[C@H]1CCCN(c2ncnc3c2C[N@@H+](C)CC3)C1
342087313	ZINC000622702073	ref	2.86	-17.58	0	268.263	1.49	2	2	4	O=C1C[C@H](CNC(=O)c2cccc(C(F)F)c2)CN1
282121700	ZINC000533465432	ref	2.89	-17.16	0	279.34	1.01	2	4	2	C[C@@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(=O)n(C)c2)C1
342087314	ZINC000625366117	ref	3.96	-15.85	0	288.347	1.023	1	3	3	COC1CC(C(=O)N2CCc3ccccc3[C@@H]2C(N)=O)C1
282121705	ZINC000533466282	ref	4.31	-14.97	0	262.357	1.305	1	3	4	CC1=C(C(=O)N=c2ccn(CCN(C)C)[nH]2)CCC1
342088636	ZINC000200100933	ref	4.81	-48.9	1	286.331	1.703	1	5	6	COC(=O)[C@H](N)Cc1ccc(OCc2ccccc2)nc1
342088637	ZINC000200100933	mid	4.81	-48.9	1	286.331	1.703	1	4	6	COC(=O)[C@H]([NH3+])Cc1ccc(OCc2ccccc2)nc1
342088638	ZINC000121590818	ref	3.29	-48.23	1	262.357	1.06	3	3	5	Cc1cccc(NCCNC(=O)[C@]2(C)CCC[NH2+]2)n1
282121711	ZINC000533466282	mid	6.79	-60.28	1	262.357	1.305	2	2	4	CC1=C(C(=O)N=c2ccn(CC[NH+](C)C)[nH]2)CCC1
342088639	ZINC000121590818	mid	3.73	-87.65	2	262.357	1.06	3	2	5	Cc1cccc(NCCNC(=O)[C@]2(C)CCC[NH2+]2)[nH+]1
365630393	ZINC000576582280	ref	7.04	-105.35	2	242.407	2.262	2	1	6	CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H](C)C1
342088640	ZINC000046828205	ref	3.19	-10.75	0	268.288	1.041	1	3	4	COc1ccc(C(=O)N[C@H](C)C(=O)N(C)C)cc1F
365630397	ZINC000576582280	mid	7.03	-105.38	2	242.407	2.262	2	1	6	CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H](C)C1
133428262	ZINC000306462218	ref	7.41	-33.55	1	179.307	2.875	1	0	3	C=C(C)C[NH2+][C@H]1CCC12CCCC2
365630400	ZINC000576582280	high	4.76	-40.86	1	242.407	2.262	1	2	6	CC(C)N(C)CCC[NH2+][C@@H]1C[C@H](C)O[C@H](C)C1
365630375	ZINC000641596918	ref	3.51	-16.26	0	296.392	1.142	1	3	4	CC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1
365630383	ZINC000479820073	ref	6.68	-40.97	1	283.416	1.68	2	2	5	CO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)C1
365630390	ZINC000479820073	high	4.28	-7.56	0	283.416	1.68	1	3	5	CO[C@@H]1C[C@H](N(C)C(=O)N[C@@H](C)CN2CCCCC2)C1
365630396	ZINC000641596655	ref	2.69	-22.2	0	288.347	1.033	2	3	4	CCCNC(=O)c1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365630403	ZINC000641596686	ref	4.01	-9.58	0	296.164	1.964	1	2	1	Cc1c(Br)cccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365630411	ZINC000641595968	ref	2.67	-12.29	0	294.298	1.967	1	3	6	O=S(=O)(CCC(F)(F)F)NC/C=C\c1cccnc1
398248036	ZINC000651457856	ref	6.16	-3.52	0	280.315	3.389	1	4	6	C[C@@H](COCC1CC1)Nc1ncc(C(F)(F)F)s1
190493071	ZINC000269421063	ref	1.43	-15.16	0	282.315	1.531	3	3	5	CC(=O)Nc1ccc(F)c(C(=O)NC[C@H](O)C(C)C)c1
282121706	ZINC000192704476	ref	6.96	-48.76	1	337.464	2.287	2	4	8	CCC(CC)(C[NH2+][C@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)OC
282121712	ZINC000192704476	high	5.92	-13.8	0	337.464	2.287	2	5	8	CCC(CC)(CN[C@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)OC
365630417	ZINC000641596657	ref	2.7	-13.82	0	288.347	1.033	2	3	4	CCCNC(=O)c1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
282121719	ZINC000192703316	ref	6.9	-39.12	1	286.416	1.811	1	3	8	CCC(CC)(C[NH2+][C@H](C)C(=O)N(C)C(C)C)C(=O)OC
342594351	ZINC000616960357	ref	4.6	-18.28	0	294.782	1.913	2	2	5	C[C@@H](CC(=O)N[C@H]1CCNC1=O)Cc1ccc(Cl)cc1
365630425	ZINC000641596680	ref	4.97	-14.22	0	261.296	1.45	1	2	2	O=C(N1C[C@@H]2C[C@]2(O)C1)C1(c2ccccc2F)CC1
365630433	ZINC000641595988	ref	2.51	-12.18	0	296.392	1.441	1	4	6	O=S(=O)(CC1CCOCC1)NC/C=C\c1cccnc1
365630441	ZINC000641596628	ref	2.91	-11.81	0	269.37	1.271	1	3	7	CCCN(C)S(=O)(=O)NC/C=C/c1cccnc1
365630449	ZINC000641596959	ref	4.17	-13.63	0	292.339	1.649	1	4	2	O=C1NCCN1C1CN(c2nc3ccc(F)cc3s2)C1
365630457	ZINC000641596694	ref	3.59	-13.25	0	253.248	1.48	1	2	1	Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(F)cc1F
365630463	ZINC000641596664	ref	4.12	-20.06	0	268.316	1.75	1	3	1	Cc1ccc2cccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)c2n1
365630469	ZINC000641596636	ref	1.64	-13.04	0	270.354	1.049	1	4	7	COC[C@@H](C)S(=O)(=O)NC/C=C/c1cccnc1
282121726	ZINC000192703316	high	5.87	-7.55	0	286.416	1.811	1	4	8	CCC(CC)(CN[C@H](C)C(=O)N(C)C(C)C)C(=O)OC
365630477	ZINC000641596678	ref	3.22	-14.62	0	266.366	1.367	1	4	4	Cc1nc(CCCC(=O)N2C[C@H]3C[C@@]3(O)C2)cs1
214182051	ZINC000293529428	ref	0.37	-14.51	0	369.443	0.383	3	5	7	CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](OC)C2CC2)ccc1C
342594352	ZINC000590780991	ref	5.59	-11.56	0	273.336	1.996	2	3	5	CCC[C@H](C)NC(=O)C(=O)Nc1cccc(CC#N)c1
214182053	ZINC000293536909	ref	3.15	-12.53	0	350.371	0.433	2	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1)OC
214182055	ZINC000293528468	ref	1.05	-48.68	1	360.48	0.191	2	5	9	Cc1oc(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)cc1S(N)(=O)=O
214182057	ZINC000293528468	mid	1.06	-48.38	1	360.48	0.191	2	5	9	Cc1oc(C(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1S(N)(=O)=O
214182059	ZINC000293528468	mid	1.21	-47.13	1	360.48	0.191	2	5	9	Cc1oc(C(=O)N(C)CCCN(C)CC[NH+](C)C)cc1S(N)(=O)=O
214182061	ZINC000293533085	ref	1.83	-19.98	0	368.459	0.059	1	6	6	NC(=O)c1cccnc1N1CCN(S(=O)(=O)CC[C@@H]2CCOC2)CC1
214182068	ZINC000293531373	ref	1.89	-15.54	0	350.394	0.862	1	7	8	COCCn1nnc2c1CCN(C[C@@H](O)COc1ccc(F)cc1)C2
214182071	ZINC000293531373	low	4.23	-55.51	1	350.394	0.862	2	6	8	COCCn1nnc2c1CC[N@H+](C[C@@H](O)COc1ccc(F)cc1)C2
214182073	ZINC000293531373	low	4.17	-58.67	1	350.394	0.862	2	6	8	COCCn1nnc2c1CC[N@@H+](C[C@@H](O)COc1ccc(F)cc1)C2
214182075	ZINC000293539794	ref	-1.13	-9.25	0	351.403	0.713	3	6	7	COCCOc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)cn1
342594353	ZINC000590780542	ref	7.41	-17.49	0	293.346	1.982	0	6	3	CCn1c([C@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1
214182078	ZINC000293526384	ref	2.74	-18.23	0	355.398	0.866	2	5	7	C[C@@H](Cc1cnc2ccccc2n1)C(=O)NCCCN1C(=O)CNC1=O
214182081	ZINC000293537924	ref	2.4	-9.2	0	364.446	0.92	3	6	4	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cc([C@@H]2CCCOC2)nn1C
214182085	ZINC000293527640	ref	4.21	-12.66	0	352.391	0.32	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C2CCCC2)nn1C)OC
214190382	ZINC000053606364	ref	2.83	-14.05	0	341.415	1.703	1	6	6	O=C(CN1CCN(Cc2noc(C3CC3)n2)CC1)Nc1ccccc1
214190385	ZINC000053604588	ref	6.12	-5.93	0	344.459	2.881	0	6	8	CCCCc1nc(CN(C)Cc2ccccc2N2CCOCC2)no1
168364570	ZINC000368499193	ref	8.48	-60.45	1	326.396	3.219	2	3	6	O=C1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@@H](C2CC2)N1
342594354	ZINC000616960300	ref	2.76	-16.35	0	264.35	1.173	2	3	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCc2sccc21
365630386	ZINC000625062423	high	6.2	-4.05	0	318.461	2.39	0	4	6	c1ccc(CN2CCCN(CCOC3CCOCC3)CC2)cc1
342594355	ZINC000590780540	ref	7.41	-15.86	0	293.346	1.982	0	6	3	CCn1c([C@H]2CCCCO2)nnc1N1CC[C@@](F)(C#N)C1
365630391	ZINC000625062365	ref	1.17	-17.28	0	324.377	2.1	0	5	4	CN(Cc1coc(-c2ccccc2F)n1)[C@@H]1CCS(=O)(=O)C1
365630401	ZINC000625060590	ref	3.58	-12.59	0	314.389	2.329	1	5	6	CNC(=O)c1ccc(CN(C)Cc2noc(C3CCC3)n2)cc1
230722749	ZINC000414269933	ref	6.82	-44.35	1	312.339	3.462	2	2	7	CC[C@H](C[NH2+][C@@H](c1cccnc1)c1ncc[nH]1)CC(F)(F)F
230722752	ZINC000414269933	mid	5.69	-11.79	0	312.339	3.462	2	3	7	CC[C@H](CN[C@@H](c1cccnc1)c1ncc[nH]1)CC(F)(F)F
365630415	ZINC000625059148	ref	8.64	-9.01	0	322.453	2.432	0	6	6	CC(C)Cn1c(N(C)CC2(C)COC2)nnc1[C@]1(C)CCCO1
365630421	ZINC000625062868	ref	4.1	-8.5	0	319.467	2.163	0	4	3	CC(C)(C)OC1CCN(S(=O)(=O)[C@@H]2COC(C)(C)C2)CC1
365630429	ZINC000625060151	ref	2.87	-10.5	0	319.467	2.069	1	4	5	CC1(C)C[C@H](S(=O)(=O)NCC(C)(C)[C@@H]2CCCCO2)CO1
365630442	ZINC000625059940	ref	2.54	-16.65	0	317.364	2.439	1	4	4	CNC(=O)C1CCN(Cc2coc(-c3ccccc3F)n2)CC1
365630451	ZINC000625059940	mid	4.91	-50.83	1	317.364	2.439	2	3	4	CNC(=O)C1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1
230722770	ZINC000414269957	ref	8.16	-20.56	0	311.472	3.101	0	3	4	C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[S@](=O)C1CCC1
342594356	ZINC000590781338	ref	3.72	-10.93	0	251.355	1.604	0	5	6	COCCN(CC#N)Cc1nc2c(s1)CCC2
342594357	ZINC000590779959	ref	3.09	-51.35	1	258.321	1.285	2	3	2	N#Cc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1COC[C@H]1O
342594358	ZINC000590779959	high	2.11	-7.87	0	258.321	1.285	2	4	2	N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1COC[C@H]1O
342594359	ZINC000590779958	ref	3.28	-51.49	1	258.321	1.285	2	3	2	N#Cc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1COC[C@H]1O
365630464	ZINC000625060660	ref	4.79	-10.39	0	307.481	2.007	1	4	8	CCO[C@H](CS(=O)(=O)NC[C@]1(C)CCCS1)C1CC1
349534185	ZINC000618812122	ref	3.34	-23.53	0	260.297	1.101	1	5	3	Cc1ccc(O)c(C(=O)N(C)Cc2cn(C)nn2)c1
349534191	ZINC000618812122	high	4.21	-75.31	-1	260.297	1.101	0	5	3	Cc1ccc([O-])c(C(=O)N(C)Cc2cn(C)nn2)c1
365630473	ZINC000625059766	ref	5.91	-11.31	0	311.794	2.133	0	4	2	Cc1ncc(S(=O)(=O)N2CCc3c(Cl)cccc32)n1C
349534194	ZINC000618812026	ref	6.64	-16.91	0	283.335	1.579	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1cn(C)c2ccccc12
365630392	ZINC000172880481	mid	1.86	-20.78	0	299.396	1.268	2	4	5	C[C@@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1ncc[nH]1
365630398	ZINC000172878568	ref	6.78	-42.59	1	279.38	1.975	1	3	7	COC[C@@H]1C[N@H+](CCCc2cccc(OC)c2)CCO1
365630404	ZINC000172878568	mid	6.73	-42.57	1	279.38	1.975	1	3	7	COC[C@@H]1C[N@@H+](CCCc2cccc(OC)c2)CCO1
365630408	ZINC000172878568	mid	4.36	-7.08	0	279.38	1.975	0	4	7	COC[C@@H]1CN(CCCc2cccc(OC)c2)CCO1
342594360	ZINC000590779958	high	2.44	-7.48	0	258.321	1.285	2	4	2	N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1COC[C@H]1O
197590706	ZINC000162774523	ref	5.58	-17.22	0	318.373	2.848	2	5	5	COc1cc(C)cc(C(=O)NC[C@H](C)c2c(C)noc2C)c1O
365630413	ZINC000172878196	ref	2.47	-11.91	0	278.352	1.492	1	4	5	COC[C@H]1CN(Cc2cccc(NC(C)=O)c2)CCO1
365630420	ZINC000172878196	low	4.22	-47.11	1	278.352	1.492	2	3	5	COC[C@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)CCO1
365630426	ZINC000172878196	low	4.73	-49.21	1	278.352	1.492	2	3	5	COC[C@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CCO1
230722769	ZINC000450364337	ref	1.49	-52.52	-1	309.391	1.736	0	5	6	COc1ccc(-c2noc(=N[C@H](C)CC[S@@](C)=O)[n-]2)cc1
365630431	ZINC000172876594	ref	3.94	-7.02	0	283.343	1.942	0	4	7	COC[C@@H]1CN(CCCOc2ccc(F)cc2)CCO1
365630440	ZINC000172876594	mid	6.36	-45.4	1	283.343	1.942	1	3	7	COC[C@@H]1C[N@H+](CCCOc2ccc(F)cc2)CCO1
168364574	ZINC000368499193	high	7.37	-10.35	0	326.396	3.219	2	4	6	O=C1CC[C@@H](NCc2ccc(Oc3ccccc3)o2)[C@@H](C2CC2)N1
230722778	ZINC000450363758	ref	3.76	-8.5	0	315.357	1.982	1	4	7	CC(C)O[C@@]1(C(=O)NCCSCC(F)(F)F)CCOC1
365630444	ZINC000172876594	mid	6.31	-45.46	1	283.343	1.942	1	3	7	COC[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CCO1
342594361	ZINC000590780549	ref	7.44	-13.54	0	293.346	1.766	0	6	3	CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@]1(C)CCCO1
365630447	ZINC000172878000	ref	3.25	-11.51	0	292.379	1.236	0	4	5	COC[C@@H]1CN(Cc2cccc(C(=O)N(C)C)c2)CCO1
365630452	ZINC000172878000	low	5.68	-45.92	1	292.379	1.236	1	3	5	COC[C@@H]1C[N@H+](Cc2cccc(C(=O)N(C)C)c2)CCO1
185087367	ZINC000096071904	high	6.37	-7.63	0	290.407	2.955	0	3	2	CC(=O)N1CCCC[C@]12CCCN(Cc1ccc(C)o1)C2
412491547	ZINC000355029198	ref	-5.36	-21.1	0	307.31	0.045	2	8	8	COCCOc1cc(C(=O)NCCc2nnc(N)o2)ccn1
365630456	ZINC000172878000	low	5.62	-45.77	1	292.379	1.236	1	3	5	COC[C@@H]1C[N@@H+](Cc2cccc(C(=O)N(C)C)c2)CCO1
365630460	ZINC000172877239	ref	5.01	-13.01	0	264.325	1.801	2	4	7	CCCNC(=O)c1cccc(NCC(=O)OCC)c1
230722776	ZINC000425406804	ref	4.96	-14.87	0	308.426	2.374	2	4	6	CC(C)CC[C@H](C)NC(=O)N[C@@H]1CCO[C@H]1c1cnn(C)c1
282121697	ZINC000449152177	ref	4.51	-40.64	1	274.364	2.243	1	3	6	COCCN1CC[C@H]([NH2+]Cc2cccc3ccoc23)C1
214182054	ZINC000278480242	ref	8.23	-44.59	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1
214182056	ZINC000278480242	mid	7.9	-45.92	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1
282121703	ZINC000449152111	ref	5.82	-36.61	1	292.427	2.487	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1
178299244	ZINC000237136480	high	5.96	-42.7	1	358.53	1.652	1	3	7	CN(CCN1CCN(C(=O)CC2CC[NH2+]CC2)CC1)Cc1ccccc1
282121707	ZINC000449151536	ref	4.91	-50.57	1	290.363	2.114	2	3	5	CC(=O)c1cccc(NC(=O)COC2CCC([NH3+])CC2)c1
230722784	ZINC000425402378	ref	7.91	-8.9	0	312.479	2.233	0	3	1	CC(C)[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](C)C[C@H]2C)CCS1
342087315	ZINC000625367660	ref	6.73	-55.8	1	290.367	1.273	2	3	2	O=C(c1cc(=O)[nH]cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1
178299246	ZINC000237129440	ref	3.95	-48.15	1	353.488	1.365	2	3	6	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c1
178299250	ZINC000237128907	ref	6.76	-55.83	1	366.443	1.471	1	5	4	C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])s2)CC1
178299254	ZINC000237125657	ref	2.51	-53.91	1	359.467	1.617	3	3	8	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@](C)(C[NH3+])CC(C)C)c1
178299255	ZINC000237128771	ref	1.91	-59.66	1	351.472	1.242	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1
178299257	ZINC000237125664	ref	4.93	-54.63	1	350.484	1.91	2	3	7	COCC[S@](=O)Cc1cccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)c1
342087316	ZINC000625367660	high	5.58	-55.5	0	290.367	1.273	1	3	2	O=C(c1cc(=O)[n-]cn1)N1CCCC[C@@H]([NH+]2CCCC2)C1
178299260	ZINC000237135963	ref	7.82	-58.08	-1	363.801	1.899	0	6	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1
178299264	ZINC000237137443	ref	6.75	-51.99	1	368.275	1.733	1	2	5	C[NH2+]CCCC(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
365630399	ZINC000274346514	ref	5.76	-45.07	1	291.399	1.966	3	3	5	CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cncnc2)C1
178299266	ZINC000237127660	ref	2.02	-55.3	1	351.472	1.386	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)NC2(C[NH3+])CCCC2)cc1
178305749	ZINC000019280569	low	7.18	-101.24	2	229.327	2.705	1	1	1	Cc1cc2[nH+]cn([C@H]3CCC[C@@H]3[NH3+])c2cc1C
343994889	ZINC000079956593	ref	8.11	-16.09	0	280.412	2.284	0	2	2	CC(C)(C)C(=O)N1CCCN(C(=O)CC2CCC2)CC1
365630406	ZINC000576580440	ref	8.17	-47.62	1	229.327	2.699	1	2	6	C=CCCC[NH2+]Cc1cnc2cccc(C)n12
365630412	ZINC000576581509	ref	0.9	-44.98	1	230.264	-1.1	2	4	5	COC[C@@H](NC(=O)[C@H]1CC[NH2+]C1)C(=O)OC
365630419	ZINC000576581218	ref	2.05	-98.43	2	237.347	0.309	2	1	2	[NH3+][C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC1
365630422	ZINC000576581218	high	1.75	-48.77	1	237.347	0.309	2	2	2	N[C@@H](C(=O)N1C[C@H]2CC[C@@H]([NH3+])[C@@H]2C1)C1CCC1
365630428	ZINC000576580509	ref	4.09	-6.34	0	248.286	0.374	1	6	5	CCO[C@@H]1C[C@H](Nc2ncncc2C#N)[C@H]1OC
365630435	ZINC000576580470	ref	3.26	-56.94	1	249.314	0.719	1	3	4	CO[C@H](C[NH3+])C(=O)N1CCC[C@@H]1c1ccccn1
365630439	ZINC000576580470	high	2.75	-12.0	0	249.314	0.719	1	4	4	CO[C@H](CN)C(=O)N1CCC[C@@H]1c1ccccn1
365630445	ZINC000576583683	ref	0.18	-57.42	1	249.305	0.475	3	2	5	C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCNCC1(F)F
365630448	ZINC000576583683	mid	1.52	-111.41	2	249.305	0.475	3	1	5	C[C@@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+]CC1(F)F
342087317	ZINC000625366958	ref	2.42	-9.48	0	259.371	1.44	1	3	4	CC1(C)C[C@H](S(=O)(=O)NCC2CC=CC2)CO1
422733269	ZINC000633049686	high	3.39	-6.5	0	307.369	1.85	3	3	3	Cc1ccc(F)c(NC(=O)C(=O)NC2(CN)CCCCC2)c1
398248037	ZINC000649442584	ref	4.91	-10.05	0	217.272	1.937	0	4	3	COCc1cccc(-c2cn(C)nc2C)n1
230722799	ZINC000414268182	ref	7.73	-47.75	1	315.417	3.388	1	4	8	C=CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccco1
219047743	ZINC000097681676	ref	3.99	-15.26	0	341.411	1.268	2	4	3	O=C(c1ccc[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)C[C@@H](O)C1
230722812	ZINC000414270321	ref	7.24	-49.56	1	305.447	3.218	1	4	5	Cc1cc([C@@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)cs1
178305750	ZINC000000152111	ref	7.1	-11.41	0	217.272	2.183	0	3	0	Cc1cc2ncn(C(=O)N(C)C)c2cc1C
259309322	ZINC000323008893	ref	4.64	-38.38	1	238.335	1.078	2	3	6	CNC(=O)C[C@H](C)[NH2+]Cc1cncn1C(C)C
342087318	ZINC000625367296	ref	6.54	-40.25	1	280.412	1.792	2	2	5	COC1CC[NH+](C(C)(C)CNC(=O)C23CC(C2)C3)CC1
342087319	ZINC000625367296	high	4.66	-6.98	0	280.412	1.792	1	3	5	COC1CCN(C(C)(C)CNC(=O)C23CC(C2)C3)CC1
342087320	ZINC000625367044	ref	1.49	-15.78	0	294.376	1.338	2	3	5	Cc1cc(C(N)=O)cc(S(=O)(=O)NCC2CC=CC2)c1
342087321	ZINC000625363947	ref	3.18	-10.26	0	277.353	1.869	1	6	4	Cc1nc([C@H](C)NC(=O)c2cn(C3CC3)nn2)cs1
342087322	ZINC000609025502	ref	5.94	-13.92	0	291.311	1.466	1	6	4	Cc1nn(C)cc1[C@@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C
342087323	ZINC000625367476	ref	1.85	-11.74	0	289.397	1.068	1	4	6	COC1(CS(=O)(=O)NCC2CC=CC2)CCOCC1
365630409	ZINC000274346514	mid	6.21	-44.81	1	291.399	1.966	3	3	5	CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cncnc2)C1
282121702	ZINC000151636600	high	4.27	-8.26	0	319.449	2.405	2	3	9	COCCC1(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)CC1
214182066	ZINC000278482057	ref	6.85	-12.42	0	313.405	1.711	1	5	4	Cn1ncc2c(N3CCC[C@H](C(=O)NCC4CC4)C3)ccnc21
365630416	ZINC000637719765	ref	8.08	-17.08	0	287.367	1.976	0	5	7	CCCCN(C(=O)CCc1cn(C)nn1)c1ccccn1
365630423	ZINC000274347245	ref	3.71	-44.96	1	279.388	1.249	4	2	4	Cc1n[nH]cc1CNC(=O)NCC1(C)CC[NH+](C)CC1
282121709	ZINC000151629686	ref	5.65	-13.29	0	304.39	2.279	1	4	6	O=C(CNc1cccc(OC[C@@H]2CCCO2)c1)N1CCCC1
214182069	ZINC000278480278	ref	3.19	-22.91	0	305.396	1.357	0	3	2	C[C@H]1CCN(S(=O)(=O)c2cccc(F)c2)CC[S@@]1=O
365630434	ZINC000274347245	low	3.65	-44.45	1	279.388	1.249	4	2	4	Cc1[nH]ncc1CNC(=O)NCC1(C)CC[NH+](C)CC1
282121716	ZINC000151633061	ref	10.43	-51.03	1	315.421	2.175	1	4	7	CC(C)[NH2+]CCC(=O)N(C)[C@H](C)c1ccc(-n2cncn2)cc1
214182072	ZINC000278481470	ref	1.31	-16.87	0	312.416	2.022	0	6	3	C[C@H]1CS(=O)(=O)CCN1Cc1cnc(-c2ccco2)s1
365630438	ZINC000274346423	ref	4.42	-6.46	0	262.313	1.206	1	4	2	CN(C(=O)C(=O)Nc1cncnc1)C1CCCCC1
365630446	ZINC000274347802	ref	5.47	-11.07	0	293.319	1.986	1	5	6	CCOc1ccc(OC)cc1NC(=O)C1(C(=O)OC)CC1
214182076	ZINC000278481301	ref	8.64	-11.43	0	312.417	2.816	1	3	3	Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3nccn3C)C2)cc1
214182077	ZINC000278481301	low	9.16	-34.96	1	312.417	2.816	1	2	3	Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCc3[nH+]ccn3C)C2)cc1
214182080	ZINC000278481498	ref	6.11	-16.54	0	305.422	2.319	2	3	4	Cc1ccc(CNC(=O)NC[C@@H]2CCCC[C@H]2C)c(=O)n1C
342087324	ZINC000625364217	ref	2.16	-16.06	0	264.31	1.438	2	5	3	Cc1nc([C@@H](C)NC(=O)c2cc(=O)[nH]cn2)cs1
342087325	ZINC000625364217	high	1.01	-43.29	-1	264.31	1.438	1	5	3	Cc1nc([C@@H](C)NC(=O)c2cc(=O)[n-]cn2)cs1
342087326	ZINC000625364209	ref	5.08	-10.17	0	296.411	1.422	1	3	6	C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N(CCC)CCO)C1
342087327	ZINC000625367050	ref	1.03	-6.65	0	262.687	1.937	1	3	2	O[C@@H]1CN(Cc2ncccc2Cl)CC(F)(F)C1
342087328	ZINC000625367580	ref	5.17	-41.89	1	296.333	1.946	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@]1(CC)CCOC1
365630410	ZINC000617414847	high	3.43	-11.07	0	281.4	0.844	1	3	2	CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1
349534187	ZINC000594967566	high	4.83	-13.82	0	295.448	2.783	1	3	5	COc1cc(C)ccc1CN[C@@H]1CCC[C@H]([S@](C)=O)C1
342087329	ZINC000625367580	high	4.34	-8.66	0	296.333	1.946	1	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@]1(CC)CCOC1
342087330	ZINC000625364215	ref	3.06	-8.57	0	261.387	1.616	0	3	2	CC1(C)CCC(C)(C)N(S(=O)(=O)C2COC2)C1
365630418	ZINC000617415126	ref	5.38	-50.17	1	265.357	0.208	2	2	3	C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1
365630427	ZINC000617415126	mid	5.91	-52.59	1	265.357	0.208	2	2	3	C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1
365630430	ZINC000617415126	high	3.03	-15.26	0	265.357	0.208	1	3	3	CN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1
365630437	ZINC000617413675	ref	3.66	-15.83	0	250.298	0.534	1	4	5	O=C(CCn1ccccc1=O)NC[C@@H]1CCCO1
349534192	ZINC000594966629	ref	5.54	-54.56	1	279.396	2.844	1	1	3	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCC(F)(F)CC2)C1
349534197	ZINC000594968347	ref	6.01	-46.92	1	257.443	2.844	1	1	3	C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)C1
342087331	ZINC000625367786	ref	4.25	-11.48	0	275.414	1.933	1	3	8	CO[C@@H](CC(C)C)CS(=O)(=O)NCC1CC=CC1
365630450	ZINC000617413395	ref	5.31	-48.32	1	283.397	0.819	2	4	4	Cc1csc(=O)n1CCC(=O)N[C@H]1CCC[N@@H+](C)C1
342087332	ZINC000625364208	ref	5.11	-10.78	0	296.411	1.422	1	3	6	C/C=C\C[C@H]1CCCN(C(=O)C(=O)N(CCC)CCO)C1
342087333	ZINC000625367713	ref	1.68	-9.93	0	270.329	1.652	2	3	4	Nc1ccc(S(=O)(=O)NCC2CC=CC2)c(F)c1
230722813	ZINC000450365369	ref	4.83	-35.26	1	321.421	1.145	2	5	6	CCOC(=O)c1ccc(CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)nc1
230722815	ZINC000450365369	mid	4.37	-36.75	1	321.421	1.145	2	5	6	CCOC(=O)c1ccc(CN2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)nc1
230722818	ZINC000450365369	mid	2.19	-7.02	0	321.421	1.145	1	6	6	CCOC(=O)c1ccc(CN2CCN(C[C@H](C)O)[C@H](C)C2)nc1
365630458	ZINC000617413395	mid	5.84	-49.51	1	283.397	0.819	2	4	4	Cc1csc(=O)n1CCC(=O)N[C@H]1CCC[N@H+](C)C1
342087334	ZINC000625366716	ref	4.84	-42.76	1	298.427	1.417	2	3	6	COC1CC[NH+](C(C)(C)CNC(=O)C2CC(OC)C2)CC1
349534200	ZINC000594967310	ref	7.67	-43.69	1	294.351	2.892	1	4	7	CC[C@@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2
349534204	ZINC000594967310	high	6.49	-7.81	0	294.351	2.892	1	5	7	CC[C@@H](C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2
342087335	ZINC000625366716	high	2.94	-8.98	0	298.427	1.417	1	4	6	COC1CCN(C(C)(C)CNC(=O)C2CC(OC)C2)CC1
365630461	ZINC000617413395	high	2.95	-13.08	0	283.397	0.819	1	5	4	Cc1csc(=O)n1CCC(=O)N[C@H]1CCCN(C)C1
214182064	ZINC000337619911	ref	2.17	-12.05	0	292.722	2.249	2	4	5	O=C(NCCOc1ccccc1Cl)c1cncc(O)c1
214182067	ZINC000337619911	mid	2.93	-48.7	-1	292.722	2.249	1	4	5	O=C(NCCOc1ccccc1Cl)c1cncc([O-])c1
342594362	ZINC000590781238	ref	5.61	-35.35	1	291.395	1.599	1	4	10	COCCN(CC#N)Cc1ccc(OCC[NH+](C)C)cc1
178299268	ZINC000237126458	ref	3.9	-54.1	1	351.472	1.208	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N(C)C2CC[NH2+]CC2)cc1
214182070	ZINC000337618336	ref	6.06	-15.87	0	286.375	2.015	2	2	4	CC[C@@H]1C[C@@]1(NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C)c1
214182074	ZINC000337616395	ref	6.18	-15.35	0	295.342	3.357	1	4	5	CCc1cccnc1NC(=O)CCc1nc2ccccc2o1
214182079	ZINC000337616944	ref	4.75	-9.71	0	274.286	3.029	1	2	5	CC(=O)Nc1cccc(CN(C)CCC(F)(F)F)c1
342594363	ZINC000590781238	high	3.08	-10.97	0	291.395	1.599	0	5	10	COCCN(CC#N)Cc1ccc(OCCN(C)C)cc1
342594364	ZINC000616960507	ref	2.03	-22.81	0	274.654	1.237	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(F)c(Cl)c1F
342594365	ZINC000590781410	ref	7.9	-45.38	1	285.347	1.798	2	3	4	COC(=O)[C@@H]1C[N@H+](Cc2cn[nH]c2)C[C@@H]1c1ccccc1
214182082	ZINC000337616944	mid	7.08	-52.11	1	274.286	3.029	2	1	5	CC(=O)Nc1cccc(C[N@H+](C)CCC(F)(F)F)c1
342594366	ZINC000590781410	mid	8.02	-44.09	1	285.347	1.798	2	3	4	COC(=O)[C@@H]1C[N@@H+](Cc2cn[nH]c2)C[C@@H]1c1ccccc1
342594367	ZINC000590781410	high	4.73	-9.08	0	285.347	1.798	1	4	4	COC(=O)[C@@H]1CN(Cc2cn[nH]c2)C[C@@H]1c1ccccc1
342594368	ZINC000616960263	ref	3.33	-18.45	0	266.366	1.384	2	3	5	Cc1ccsc1CCCC(=O)N[C@H]1CCNC1=O
214182084	ZINC000337616944	mid	7.09	-52.28	1	274.286	3.029	2	1	5	CC(=O)Nc1cccc(C[N@@H+](C)CCC(F)(F)F)c1
214182087	ZINC000337617902	ref	6.78	-41.19	1	275.396	2.369	3	1	5	Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC2)c(C)c1
214182089	ZINC000337617902	mid	3.59	-9.27	0	275.396	2.369	2	2	5	Cc1ccc([C@@H](C)NC(=O)NCCN2CCC2)c(C)c1
214182091	ZINC000337618019	ref	-0.71	-17.37	0	298.339	0.829	3	5	6	COc1cc(NC(=O)N(C)C[C@@H](O)CO)c(C)c(OC)c1
214182095	ZINC000337618125	ref	1.28	-12.0	0	296.367	2.295	3	4	7	CC[C@H](CCO)NC(=O)Nc1cc(OC)cc(OC)c1C
342594369	ZINC000590781359	ref	7.1	-11.24	0	285.347	1.948	1	3	4	C[C@H](C1CC1)N(C)C(=O)C(=O)Nc1cccc(CC#N)c1
342594370	ZINC000590781333	ref	3.94	-13.0	0	262.357	1.746	0	5	6	COCCN(CC#N)Cc1cnc(C(C)(C)C)nc1
342594371	ZINC000616960503	ref	2.81	-17.45	0	278.356	1.171	2	4	5	CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CCNC1=O
398248038	ZINC000649442319	ref	2.51	-11.04	0	203.245	1.283	1	4	2	Cc1nn(C)cc1-c1cccc(CO)n1
178299270	ZINC000026512018	ref	7.24	-4.77	0	210.074	3.01	0	1	0	Cc1cc2ccccn2c1Br
365630414	ZINC000336549216	ref	6.0	-12.51	0	299.436	2.303	0	3	3	CS(=O)(=O)[C@@H]1CCCCN(C(=O)CC2=CCCCC2)C1
178299276	ZINC000063176578	ref	6.47	-49.75	1	241.338	2.835	2	2	2	Cc1cc2ccccc2nc1N[C@@H]1CCC[C@@H]1[NH3+]
178299281	ZINC000122165523	ref	5.16	-8.01	0	244.338	2.972	2	3	4	Cc1cc2ccccc2nc1N[C@@H](C)[C@H](C)CO
178299292	ZINC000122165523	low	5.48	-25.57	1	244.338	2.972	2	2	4	Cc1cc2ccccc2[nH+]c1N[C@@H](C)[C@H](C)CO
178299295	ZINC000149967252	ref	7.06	-6.73	0	242.322	3.133	1	3	2	Cc1cc2ccccc2nc1N[C@@H]1CCO[C@@H]1C
365630424	ZINC000336548597	ref	5.74	-13.22	0	285.347	2.197	1	4	3	CN(Cc1cn2c(n1)CCCC2)C(=O)c1cccc(O)c1
365630432	ZINC000336548597	low	6.17	-31.83	1	285.347	2.197	1	3	3	CN(Cc1cn2c([nH+]1)CCCC2)C(=O)c1cccc(O)c1
365630436	ZINC000336548597	high	6.5	-55.9	-1	285.347	2.197	0	4	3	CN(Cc1cn2c(n1)CCCC2)C(=O)c1cccc([O-])c1
365630443	ZINC000336548864	ref	7.07	-10.35	0	273.239	2.04	1	3	2	C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(F)F
178299299	ZINC000149967252	low	7.38	-26.22	1	242.322	3.133	1	2	2	Cc1cc2ccccc2[nH+]c1N[C@@H]1CCO[C@@H]1C
365630453	ZINC000336548705	ref	5.54	-46.88	-1	261.35	2.319	0	3	2	Cc1cc(=NC(=O)[C@H](C)c2cccs2)[n-]nc1C
365630462	ZINC000336548705	low	5.37	-11.83	0	261.35	2.319	1	3	2	Cc1cc(=NC(=O)[C@H](C)c2cccs2)[nH]nc1C
365630472	ZINC000336549137	ref	7.81	-11.53	0	275.352	2.436	0	4	2	Cc1onc(CC(=O)N2CCCCC(C)(C)C2)c1C#N
230722830	ZINC000425407062	ref	9.16	-36.71	1	301.39	2.208	1	4	8	COC(=O)[C@H](CC[NH2+][C@@H](C)Cn1cccn1)c1ccccc1
230722833	ZINC000425401618	ref	8.99	-33.56	1	302.418	2.113	1	3	5	COC(=O)[C@@H](CCN1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1
230722835	ZINC000425401618	mid	8.58	-34.52	1	302.418	2.113	1	3	5	COC(=O)[C@@H](CCN1CC[N@H+]2CCC[C@H]2C1)c1ccccc1
365630478	ZINC000336548968	ref	6.03	-43.95	1	262.328	2.29	1	3	3	C[C@@H](O)C1CCN(Cc2cccc(F)c2C#N)CC1
178299303	ZINC000039105033	ref	4.19	-9.17	0	201.269	2.468	1	2	3	Cc1cc2ccccc2nc1CCCO
178299308	ZINC000133209731	ref	6.52	-7.03	0	244.338	2.75	1	3	4	Cc1cc2ccccc2nc1N(C)CC[C@H](C)O
365630489	ZINC000336548968	mid	6.03	-43.95	1	262.328	2.29	2	2	3	C[C@@H](O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1
398248040	ZINC000649442484	ref	6.62	-7.75	0	233.34	2.903	0	4	3	CCSc1ccc(-c2cn(C)nc2C)cn1
365630455	ZINC000274348820	ref	6.42	-43.77	1	272.356	1.844	2	4	3	Cc1nnc([C@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)[nH]1
365630467	ZINC000274348820	mid	5.96	-45.92	1	272.356	1.844	2	4	3	Cc1nnc([C@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)[nH]1
365630474	ZINC000274348820	mid	5.99	-41.14	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n1
342594372	ZINC000616960476	ref	3.12	-17.56	0	290.367	1.315	2	4	3	Cc1c(C(=O)N[C@@H]2CCNC2=O)cnn1C1CCCCC1
282121704	ZINC000248966919	mid	3.72	-37.51	1	319.405	1.863	3	5	8	CCc1ccc(-c2noc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)n2)cc1
342594373	ZINC000194358028	ref	2.0	-12.3	0	274.405	1.611	3	3	9	COC[C@@H](O)CCNC(=O)NCC(C(C)C)C(C)C
365630479	ZINC000274348820	mid	5.53	-42.7	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)n1
365630484	ZINC000274348820	low	5.91	-35.04	1	272.356	1.844	2	4	3	Cc1nc([C@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n[nH]1
349534188	ZINC000602429416	mid	7.46	-36.18	1	245.363	1.932	1	3	9	CCC[N@@H+](CC(=O)OC)C[C@H](OC)[C@@H](C)CC
349534190	ZINC000602429416	mid	7.16	-35.72	1	245.363	1.932	1	3	9	CCC[N@H+](CC(=O)OC)C[C@H](OC)[C@@H](C)CC
365630491	ZINC000274348820	low	5.44	-36.67	1	272.356	1.844	2	4	3	Cc1nc([C@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)n[nH]1
342594374	ZINC000590781360	ref	7.16	-11.22	0	285.347	1.948	1	3	4	C[C@@H](C1CC1)N(C)C(=O)C(=O)Nc1cccc(CC#N)c1
342594375	ZINC000616960403	ref	3.67	-18.98	0	298.346	1.107	2	4	3	Cc1ccc(-n2nc(C(=O)N[C@@H]3CCNC3=O)cc2C)cc1
365630496	ZINC000274348820	high	3.78	-9.95	0	272.356	1.844	1	5	3	Cc1nc([C@H]2CCCN([C@@H](C)c3cnccn3)C2)n[nH]1
365630502	ZINC000274348820	high	3.87	-8.86	0	272.356	1.844	1	5	3	Cc1n[nH]c([C@H]2CCCN([C@@H](C)c3cnccn3)C2)n1
365630509	ZINC000274348820	high	4.28	-12.59	0	272.356	1.844	1	5	3	Cc1nnc([C@H]2CCCN([C@@H](C)c3cnccn3)C2)[nH]1
365630514	ZINC000274346769	ref	4.22	-18.9	0	286.291	1.057	1	5	4	O=C(Nc1cncnc1)[C@H]1CC(=O)N(Cc2ccco2)C1
342594376	ZINC000590781336	ref	3.71	-11.17	0	278.352	1.684	0	5	10	COCCOc1ccccc1CN(CC#N)CCOC
136229014	ZINC000184908640	ref	0.96	-11.24	0	247.316	-0.165	0	5	3	C=C(C)CN1CCS(=O)(=O)C[C@H]1C(=O)OC
349534195	ZINC000602428850	ref	7.46	-45.16	1	238.331	2.342	2	2	6	CCCC[N@H+](C)Cc1cc(C)c(C(=O)OC)[nH]1
178305751	ZINC000069076960	ref	7.45	-49.82	1	229.327	2.39	1	2	3	Cc1cc2ncn(C[C@@H]([NH3+])C3CC3)c2cc1C
365630524	ZINC000274346416	ref	3.17	-19.84	0	277.328	1.001	2	4	4	O=C(NCCC(=O)N1CCCCC1)Nc1cncnc1
178299271	ZINC000237127802	ref	2.87	-57.92	1	365.499	1.776	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)NCC2([NH3+])CCCCC2)cc1
214182083	ZINC000278481876	ref	8.68	-12.21	0	313.331	2.343	0	7	5	COC(=O)c1cc([N+](=O)[O-])c(C)cc1S[C@H](C)C(=O)OC
214182086	ZINC000278481919	ref	8.95	-48.46	1	315.377	2.087	1	5	5	Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1
214182088	ZINC000278481919	high	7.95	-12.47	0	315.377	2.087	1	6	5	Cn1nccc1N1CCC[C@@H](NCc2ccccc2[N+](=O)[O-])C1
214182090	ZINC000278482518	ref	5.89	-20.69	0	322.405	1.284	1	5	6	Cc1ccc(CNC(=O)[C@H](C)OC[C@@H]2CCCCO2)c(=O)n1C
342087336	ZINC000625367785	ref	3.92	-10.58	0	275.414	1.933	1	3	8	CO[C@H](CC(C)C)CS(=O)(=O)NCC1CC=CC1
432002717	ZINC000129172233	ref	4.77	-7.57	0	307.337	3.086	1	2	4	O=S(=O)(N[C@@H](C1CCCC1)C(F)(F)F)c1ccccc1
365630465	ZINC000576581211	ref	4.33	-44.39	1	228.336	0.869	2	2	7	CCOC1CC(C[N@H+](C)CCNC(C)=O)C1
342087337	ZINC000625366823	ref	3.33	-11.71	0	273.398	1.689	1	3	7	O=S(=O)(CCC[C@@H]1CCOC1)NCC1CC=CC1
178299273	ZINC000237130787	ref	5.86	-50.98	1	363.483	1.216	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC13CC[NH2+]CC3)CC2
365630471	ZINC000576581211	mid	4.42	-44.35	1	228.336	0.869	2	2	7	CCOC1CC(C[N@@H+](C)CCNC(C)=O)C1
178299277	ZINC000237125558	ref	6.15	-55.05	1	365.474	1.179	2	3	4	C[NH2+]C1CCN(C(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1
178299279	ZINC000237125073	ref	5.12	-67.78	1	373.478	1.568	1	3	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](C[NH3+])c1ccccc1)CC2
214182094	ZINC000278480585	ref	6.66	-12.25	0	305.418	3.197	1	3	9	CCCCCN(CCO)C(=O)c1ccc(OC)c(C2CC2)c1
214182096	ZINC000278480231	ref	3.76	-19.17	0	320.414	1.965	2	3	4	C[C@@H](CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12
214182097	ZINC000278481953	ref	4.39	-13.68	0	305.783	1.713	1	4	7	CC(=O)OCCCS(=O)(=O)NCc1ccccc1Cl
365630476	ZINC000576581354	ref	4.05	-96.55	2	239.363	0.583	2	1	1	C[C@H]1C[C@@H](C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC[NH2+]1
178299284	ZINC000237125073	high	4.74	-20.32	0	373.478	1.568	1	4	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H](CN)c1ccccc1)CC2
214182099	ZINC000278482281	ref	7.96	-56.52	1	307.467	1.83	2	5	6	CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H]2CCSC2)ncn1
214182101	ZINC000278482281	low	8.43	-104.22	2	307.467	1.83	2	4	6	CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@H]2CCSC2)nc[nH+]1
365630481	ZINC000576581354	high	2.8	-43.85	1	239.363	0.583	2	2	1	C[C@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)CN1
365630466	ZINC000122683341	ref	8.94	-34.74	1	260.381	2.356	1	1	3	Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1
365630482	ZINC000122683341	mid	8.63	-33.17	1	260.381	2.356	1	1	3	Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c(C)c1
365630490	ZINC000122683341	high	6.48	-7.85	0	260.381	2.356	0	2	3	Cc1ccc(CN2CCC[C@@H]2C(=O)N(C)C)c(C)c1
365630498	ZINC000122663066	ref	5.66	-11.59	0	262.272	2.448	1	4	3	N#C[C@H](C(=O)c1cccnc1)c1nc2ccccc2[nH]1
365630511	ZINC000122663066	high	5.18	-41.87	-1	262.272	2.448	1	4	2	N#CC(=C([O-])c1cccnc1)c1nc2ccccc2[nH]1
365630515	ZINC000122663066	high	5.66	-11.62	0	262.272	2.448	1	4	3	N#CC(C(=O)c1cccnc1)c1nc2ccccc2[nH]1
365630521	ZINC000122765085	ref	6.33	-45.78	1	288.435	2.449	1	2	6	C[C@H]([NH2+]CCCN1CCc2ccccc2C1)[C@H]1CCOC1
365630540	ZINC000122765085	mid	8.89	-118.51	2	288.435	2.449	2	1	6	C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1
230722853	ZINC000450366390	ref	3.48	-12.06	0	304.35	1.564	1	6	6	CNC(=O)[C@H](C)CN(C)c1nc(-c2ccc(OC)cc2)no1
230722857	ZINC000450364932	ref	7.83	-18.17	0	300.318	1.888	1	5	4	C[C@@H]1C[C@@H]1N1C[C@H](Nc2cccc(C#N)c2[N+](=O)[O-])CC1=O
365630548	ZINC000122765085	mid	8.89	-118.58	2	288.435	2.449	2	1	6	C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1
219047744	ZINC000286547916	ref	5.01	-14.16	0	308.407	1.061	0	5	4	CN(C[C@H]1CCCN(c2cnccc2C#N)C1)S(C)(=O)=O
365630557	ZINC000122737875	ref	4.6	-9.34	0	268.401	2.393	2	2	6	C=CC1CCN(C(=O)NCCCC(C)(C)CO)CC1
365630580	ZINC000122677777	ref	4.87	-7.18	0	253.367	2.466	1	2	4	C=C(C)CNS(=O)(=O)c1c(C)cc(C)cc1C
230722877	ZINC000450364731	ref	7.67	-11.46	0	315.377	1.889	1	7	6	CC(C)(C)OC(=O)CCCNc1nccc(-c2cnccn2)n1
342087338	ZINC000625363917	ref	3.83	-8.14	0	294.351	1.171	1	4	5	CN(Cc1ccco1)C(=O)C(=O)NCC[C@@H]1CCCOC1
342087339	ZINC000625366902	ref	2.66	-17.11	0	276.311	1.945	2	3	3	C[C@H]1C[C@H](O)CN1CC(=O)c1c[nH]c2ccc(F)cc12
342087340	ZINC000625366902	mid	4.91	-48.16	1	276.311	1.945	3	2	3	C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
342087341	ZINC000625366902	mid	4.61	-47.14	1	276.311	1.945	3	2	3	C[C@H]1C[C@H](O)C[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
342087342	ZINC000625367769	ref	3.43	-39.43	1	279.34	1.384	1	4	3	COc1nc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)co1
342087343	ZINC000625367769	high	1.25	-7.46	0	279.34	1.384	0	5	3	COc1nc(C(=O)N2CC[C@H](N3CCCCC3)C2)co1
342087344	ZINC000625367768	ref	3.45	-39.4	1	279.34	1.384	1	4	3	COc1nc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)co1
365630468	ZINC000172877608	ref	2.92	-23.84	0	282.365	1.186	1	5	5	Cc1cccn2cc(CS(=O)(=O)C[C@H](C)CO)nc12
365630475	ZINC000172877608	low	3.37	-40.01	1	282.365	1.186	1	4	5	Cc1cccn2cc(CS(=O)(=O)C[C@H](C)CO)[nH+]c12
365630486	ZINC000172880896	ref	2.6	-12.05	0	288.347	1.375	1	4	4	COC[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1
342087345	ZINC000625367768	high	1.31	-7.56	0	279.34	1.384	0	5	3	COc1nc(C(=O)N2CC[C@@H](N3CCCCC3)C2)co1
342087346	ZINC000625367644	ref	7.75	-48.11	1	290.411	1.912	1	3	3	CCn1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c(C)n1
342087347	ZINC000625367644	high	5.57	-12.9	0	290.411	1.912	0	4	3	CCn1cc(C(=O)N2CC[C@H](N3CCCCC3)C2)c(C)n1
365630499	ZINC000172880896	mid	4.43	-37.82	1	288.347	1.375	2	3	4	COC[C@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)CCO1
365630504	ZINC000172880896	mid	4.89	-41.91	1	288.347	1.375	2	3	4	COC[C@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CCO1
365630512	ZINC000172877730	ref	5.91	-15.82	0	290.363	1.501	1	3	6	Cc1ccccc1O[C@@H](C)CNC(=O)CN1CCCC1=O
365630527	ZINC000643091721	ref	2.36	-9.78	0	278.352	1.967	3	3	3	C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@H](C)C(C)(C)O
365630531	ZINC000172878571	ref	3.27	-11.05	0	250.298	1.064	1	4	4	CC[C@H](NC(=O)[C@H]1COCCO1)c1ccncc1
185087369	ZINC000096072104	ref	5.48	-10.99	0	292.379	1.683	0	4	4	COCC[C@H]1CO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1
365630537	ZINC000172877305	ref	1.3	-10.29	0	295.364	1.645	0	7	5	COC[C@H]1CN(Cc2nc(-c3cccs3)no2)CCO1
365630545	ZINC000172878489	ref	2.29	-15.36	0	262.396	1.908	1	4	5	Cc1cc(CS(=O)(=O)C[C@@H](C)CO)c(C)s1
365630551	ZINC000172879379	ref	3.8	-10.88	0	292.379	1.163	0	4	5	COC[C@@H]1CN([C@@H](C(=O)N(C)C)c2ccccc2)CCO1
365630564	ZINC000172879379	low	5.7	-35.39	1	292.379	1.163	1	3	5	COC[C@@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CCO1
365630567	ZINC000172879379	low	5.75	-35.35	1	292.379	1.163	1	3	5	COC[C@@H]1C[N@H+]([C@@H](C(=O)N(C)C)c2ccccc2)CCO1
342087348	ZINC000625367596	ref	0.54	-20.48	0	286.291	1.126	1	5	4	O=C(NCc1cocn1)c1cncc(N2CCCC2=O)c1
365630573	ZINC000172880892	ref	2.48	-12.45	0	288.347	1.375	1	4	4	COC[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1
342087349	ZINC000625367379	ref	6.13	-17.15	0	270.332	1.398	1	2	2	NC(=O)[C@@H]1c2ccccc2CCN1C(=O)C12CC(C1)C2
259309323	ZINC000323008893	high	3.43	-9.15	0	238.335	1.078	2	4	6	CNC(=O)C[C@H](C)NCc1cncn1C(C)C
342594377	ZINC000616960358	ref	4.6	-18.19	0	294.782	1.913	2	2	5	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)Cc1ccc(Cl)cc1
349534189	ZINC000093257041	mid	6.48	-46.57	1	291.37	0.958	1	2	2	C[NH+]1CCN(C(=O)CN2CCc3cc(F)ccc3C2)CC1
349534193	ZINC000093257041	low	9.05	-107.05	2	291.37	0.958	2	1	2	C[NH+]1CCN(C(=O)C[N@@H+]2CCc3cc(F)ccc3C2)CC1
342594378	ZINC000616960652	ref	2.96	-17.52	0	290.367	1.035	2	4	5	CC(C)Cn1ncc(C(=O)N[C@@H]2CCNC2=O)c1C1CC1
342594379	ZINC000616960523	ref	3.11	-18.41	0	290.367	1.315	2	4	3	Cc1cc(C(=O)N[C@H]2CCNC2=O)nn1C1CCCCC1
190493083	ZINC000269417400	ref	5.27	-13.78	0	251.326	2.418	1	3	5	CCC(C)(C)N(C)C(=O)COc1ccccc1O
214182098	ZINC000337617507	ref	4.41	-46.52	1	287.31	2.36	3	2	6	C[C@@H](CNC(=O)Nc1ccc(OC(F)F)cc1)[NH+](C)C
214182100	ZINC000337617507	high	2.14	-11.36	0	287.31	2.36	2	3	6	C[C@@H](CNC(=O)Nc1ccc(OC(F)F)cc1)N(C)C
214182102	ZINC000337616777	ref	5.94	-7.22	0	254.399	3.178	1	3	5	CCc1nc(C)c(C(=O)N[C@@H](C)CC(C)C)s1
214182105	ZINC000337619882	ref	8.56	-11.53	0	289.375	2.496	1	3	6	CCOC(=O)[C@@H](CNC(=O)[C@@H]1CC1(C)C)c1ccccc1
214182108	ZINC000337616326	ref	7.14	-8.79	0	280.412	2.282	0	2	2	C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC(=O)N1C
178299286	ZINC000237128826	ref	2.22	-52.05	1	351.472	1.242	3	3	8	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@](C)(C[NH3+])C2CC2)cc1
178299287	ZINC000237127077	ref	3.59	-56.83	1	365.499	1.584	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1
342594380	ZINC000616960283	ref	3.51	-22.51	0	298.342	1.396	2	3	4	COc1ccc2cccc(CC(=O)N[C@H]3CCNC3=O)c2c1
342594381	ZINC000616960320	ref	3.92	-16.61	0	258.321	1.351	2	2	5	C=C[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
342594382	ZINC000616960291	ref	2.47	-18.82	0	268.313	1.166	2	3	3	CSc1cc(C(=O)N[C@@H]2CCNC2=O)ccc1F
342594383	ZINC000590780076	ref	4.72	-54.11	1	299.418	1.982	2	3	4	N#Cc1ccc2c(c1)CCC[C@H]2[NH2+]CCN1CCC(O)CC1
192037532	ZINC000273073180	mid	9.01	-106.6	2	276.424	2.996	2	1	6	CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1
192037534	ZINC000273073180	mid	7.87	-34.38	1	276.424	2.996	2	2	6	CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)c(C)c2)C1
192037535	ZINC000273073180	mid	7.94	-34.38	1	276.424	2.996	2	2	6	CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)c(C)c2)C1
192037537	ZINC000273073180	high	6.4	-43.51	1	276.424	2.996	1	2	6	CCN1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(C)c2)C1
192037539	ZINC000273075051	ref	2.68	-7.35	0	297.424	1.597	1	5	5	Cc1cnc([C@H](C)NC(=O)[C@H](C)CN2CCOCC2)s1
365630470	ZINC000617414292	ref	2.93	-54.5	1	261.325	0.609	3	2	3	C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1
299072117	ZINC000567664974	ref	5.4	-46.26	1	278.4	2.385	2	3	5	CC(C)CCn1nccc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1
365630483	ZINC000617414292	mid	3.45	-58.41	1	261.325	0.609	3	2	3	C[N@H+]1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1
342594384	ZINC000616960408	ref	4.24	-18.27	0	274.364	1.749	2	2	5	CC(C)(CCC(=O)N[C@H]1CCNC1=O)c1ccccc1
192037533	ZINC000418465390	ref	4.75	-50.63	1	241.379	1.801	2	1	4	C[C@H](C[NH3+])CNC(=O)N(C)[C@@H]1CCCC[C@H]1C
282121710	ZINC000248968192	ref	5.07	-46.35	1	303.472	1.425	2	2	5	C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCC[C@@H]1C
365630487	ZINC000617414292	mid	0.57	-20.16	0	261.325	0.609	2	3	3	CN1CCC[C@H](NC(=O)c2cccc(C(N)=O)c2)C1
365630495	ZINC000617411093	ref	1.31	-16.67	0	296.392	0.914	1	4	3	CN1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1
365630503	ZINC000617411093	low	3.67	-51.99	1	296.392	0.914	2	3	3	C[N@@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1
365630507	ZINC000617411093	low	4.2	-55.02	1	296.392	0.914	2	3	3	C[N@H+]1CCC[C@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1
365630513	ZINC000617412890	ref	3.38	-50.01	1	289.335	0.841	3	3	2	C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
365630520	ZINC000617412890	mid	3.9	-53.42	1	289.335	0.841	3	3	2	C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
230722891	ZINC000414269808	ref	1.93	-16.01	0	305.186	3.247	0	4	4	CCc1nnc(C[S@@](=O)c2ccc(Cl)cc2Cl)o1
365630525	ZINC000617412890	mid	1.01	-13.38	0	289.335	0.841	2	4	2	CN1CCC[C@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
365630534	ZINC000617412751	ref	8.0	-46.94	1	288.355	0.565	2	5	2	Cc1cc(C)n2nc(C(=O)N[C@@H]3CCC[N@@H+](C)C3)nc2n1
230722901	ZINC000414270233	ref	10.09	-14.13	0	322.47	3.49	0	3	7	CCOC(=O)C1CCC([S@](=O)CCCc2ccccc2)CC1
168364578	ZINC000368497685	ref	6.36	-14.83	0	336.347	3.135	0	5	3	COC(=O)C[C@H]1CN(C(=O)c2ccc3ncoc3c2)c2ccccc21
365630541	ZINC000617412751	mid	7.47	-47.78	1	288.355	0.565	2	5	2	Cc1cc(C)n2nc(C(=O)N[C@@H]3CCC[N@H+](C)C3)nc2n1
365630547	ZINC000617412751	mid	5.11	-16.88	0	288.355	0.565	1	6	2	Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCN(C)C3)nc2n1
133428265	ZINC000306487011	ref	3.42	-9.34	0	178.235	1.627	2	1	3	C=C[C@H](C)NC(=O)c1[nH]ccc1C
365630553	ZINC000617414304	ref	6.04	-53.2	1	296.415	0.59	2	2	2	CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1
342594385	ZINC000616960407	ref	4.24	-18.26	0	274.364	1.749	2	2	5	CC(C)(CCC(=O)N[C@@H]1CCNC1=O)c1ccccc1
365630480	ZINC000625061850	ref	5.08	-11.48	0	320.418	2.126	1	5	7	CCCC1(CNS(=O)(=O)c2cnnn2-c2ccccc2)CC1
230722883	ZINC000425401619	ref	8.44	-32.93	1	302.418	2.113	1	3	5	COC(=O)[C@@H](CCN1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1
230722885	ZINC000425401619	mid	8.88	-31.28	1	302.418	2.113	1	3	5	COC(=O)[C@@H](CCN1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1
178299289	ZINC000237127235	ref	4.98	-58.55	1	351.472	1.358	1	3	3	CC(=O)N1CCCc2ccc(S(=O)(=O)N(C)C3CC[NH2+]CC3)cc21
178299291	ZINC000237133869	ref	2.18	-55.37	1	357.451	1.323	2	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1
178299296	ZINC000237128875	ref	8.98	-58.74	1	374.441	1.718	1	4	4	C[NH2+]C1CCN(C(=O)[C@H]2CCCN2C(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1
230722888	ZINC000425401884	ref	5.62	-17.98	0	311.389	2.487	3	3	5	N#C[C@H]1CC[C@@H](NC(=O)NCCCc2nc3ccccc3[nH]2)C1
365630492	ZINC000625061850	high	4.77	-40.25	-1	320.418	2.126	0	5	7	CCCC1(C[N-]S(=O)(=O)c2cnnn2-c2ccccc2)CC1
365630500	ZINC000625061711	ref	7.1	-9.29	0	318.417	2.463	0	3	1	C[C@H]1CN(C(=O)N2CCO[C@](C)(c3ccccc3)C2)C[C@@H](C)O1
365630510	ZINC000625059398	ref	6.73	-15.86	0	316.467	2.008	1	4	6	CCC[C@@H](OCC)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C
365630517	ZINC000625059392	ref	6.83	-14.11	0	316.467	2.008	1	4	6	CCC[C@H](OCC)C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C
230722902	ZINC000425407063	ref	9.16	-34.09	1	301.39	2.208	1	4	8	COC(=O)[C@@H](CC[NH2+][C@@H](C)Cn1cccn1)c1ccccc1
365630526	ZINC000625061825	ref	4.81	-12.61	0	308.422	2.298	1	4	7	COc1ccc(CN(C)CC(=O)NCC(C)(C)C)cc1OC
365630536	ZINC000625061825	mid	7.04	-48.51	1	308.422	2.298	2	3	7	COc1ccc(C[N@H+](C)CC(=O)NCC(C)(C)C)cc1OC
365630544	ZINC000625061825	mid	7.05	-48.5	1	308.422	2.298	2	3	7	COc1ccc(C[N@@H+](C)CC(=O)NCC(C)(C)C)cc1OC
178299297	ZINC000237127165	ref	4.94	-66.98	-1	350.396	1.955	0	7	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2nc(-c3cccs3)oc2C)C1
365630554	ZINC000625062053	ref	8.4	-17.27	0	309.373	2.349	1	5	2	Cc1cn2c(n1)C[C@@H](C(=O)Nc1ccc3nc(C)cn3c1)CC2
178299301	ZINC000237125847	ref	3.75	-49.76	1	351.472	1.344	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[C@H]([NH3+])C1)CC2
365630560	ZINC000625062053	low	8.86	-35.85	1	309.373	2.349	1	4	2	Cc1cn2c(n1)C[C@@H](C(=O)Nc1ccc3[nH+]c(C)cn3c1)CC2
365630569	ZINC000625059397	ref	7.1	-16.54	0	316.467	2.008	1	4	6	CCC[C@H](OCC)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
342594386	ZINC000616960369	ref	3.6	-17.24	0	280.755	1.523	2	2	4	C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
342594387	ZINC000616960367	ref	3.8	-17.81	0	280.755	1.523	2	2	4	C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
342594388	ZINC000590780990	ref	5.59	-11.38	0	273.336	1.996	2	3	5	CCC[C@@H](C)NC(=O)C(=O)Nc1cccc(CC#N)c1
342594389	ZINC000616960321	ref	3.92	-15.74	0	258.321	1.351	2	2	5	C=C[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
342594390	ZINC000616960326	ref	1.3	-17.05	0	289.335	1.021	2	4	4	O=C(N[C@H]1CCNC1=O)c1ccc(OC2CCCC2)nc1
342594391	ZINC000616960297	ref	2.75	-17.22	0	264.35	1.173	2	3	2	O=C1NCC[C@H]1NC(=O)[C@@H]1CCCc2sccc21
342594392	ZINC000616960243	ref	1.66	-17.09	0	276.34	1.076	3	3	3	O=C(N[C@H]1CCNC1=O)c1cc(C2CCCCC2)n[nH]1
342594393	ZINC000194398088	ref	4.7	-64.25	1	297.42	1.918	1	3	5	COc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1C
365630485	ZINC000641596662	ref	5.48	-15.48	0	273.332	1.825	1	3	3	O=C(c1ccccc1OC1CCC1)N1C[C@@H]2C[C@]2(O)C1
365630493	ZINC000641596665	ref	4.11	-20.83	0	268.316	1.75	1	3	1	Cc1ccc2cccc(C(=O)N3C[C@H]4C[C@@]4(O)C3)c2n1
365630501	ZINC000641596037	ref	2.97	-12.0	0	281.381	1.271	1	3	5	C[C@H]1CCN(S(=O)(=O)NC/C=C/c2cccnc2)C1
365630508	ZINC000641596681	ref	4.92	-15.74	0	261.296	1.45	1	2	2	O=C(N1C[C@H]2C[C@@]2(O)C1)C1(c2ccccc2F)CC1
365630516	ZINC000641596659	ref	5.49	-16.13	0	273.332	1.825	1	3	3	O=C(c1ccccc1OC1CCC1)N1C[C@H]2C[C@@]2(O)C1
365630522	ZINC000641596933	ref	3.42	-16.83	0	290.429	1.21	1	3	7	CCC[C@H](C)CS(=O)(=O)NC[C@@H]1CCN(C(C)=O)C1
365630530	ZINC000641597222	ref	6.75	-9.62	0	283.371	1.874	1	2	1	O=C([C@@H]1C[C@]12CCCc1ccccc12)N1C[C@H]2C[C@@]2(O)C1
365630539	ZINC000641596652	ref	2.11	-11.21	0	288.278	1.286	2	3	1	O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1C[C@@H]2C[C@]2(O)C1
230722909	ZINC000450361669	ref	6.46	-8.41	0	303.402	1.961	1	3	5	COC[C@@]1(C(=O)NCC2(C)Cc3ccccc3C2)CCOC1
365630549	ZINC000641596745	ref	1.31	-5.77	0	280.343	1.977	1	4	2	C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1ccncc1F
342594394	ZINC000590780541	ref	7.43	-17.68	0	293.346	1.982	0	6	3	CCn1c([C@@H]2CCCCO2)nnc1N1CC[C@](F)(C#N)C1
349534196	ZINC000093257041	low	9.05	-107.2	2	291.37	0.958	2	1	2	C[NH+]1CCN(C(=O)C[N@H+]2CCc3cc(F)ccc3C2)CC1
349534201	ZINC000093231928	ref	2.79	-49.35	1	266.297	0.065	2	4	7	COC(=O)c1ccc(CNC(=O)COCC[NH3+])cc1
259309324	ZINC000394170651	ref	3.38	-7.5	0	229.364	2.193	2	2	8	CCCC[C@H](C)C(=O)NC[C@@H](CO)C(C)C
365630488	ZINC000576580468	ref	3.35	-58.1	1	249.314	0.719	1	3	4	CO[C@H](C[NH3+])C(=O)N1CCC[C@H]1c1ccccn1
365630494	ZINC000576580468	high	2.96	-13.23	0	249.314	0.719	1	4	4	CO[C@H](CN)C(=O)N1CCC[C@H]1c1ccccn1
365630505	ZINC000343837482	ref	2.91	-8.8	0	224.304	1.306	2	3	6	CC[C@@H](O)CCCNC(=O)c1cccn1C
365630519	ZINC000576581531	ref	-1.06	-44.98	1	227.308	-0.735	1	3	1	C[C@@H]([NH3+])C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1
365630523	ZINC000576581531	low	1.14	-90.98	2	227.308	-0.735	2	2	1	C[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@H+](C)[C@H]2C1
136229015	ZINC000137050526	ref	7.91	-11.01	0	239.265	1.907	0	1	3	C#CCN(CC#C)C(=O)C1CCC(F)(F)CC1
365630528	ZINC000576581531	low	1.29	-90.6	2	227.308	-0.735	2	2	1	C[C@@H]([NH3+])C(=O)N1CC[C@H]2OCC[N@@H+](C)[C@H]2C1
365630532	ZINC000576581531	high	-1.43	-7.0	0	227.308	-0.735	1	4	1	C[C@@H](N)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1
342087350	ZINC000625367554	ref	0.92	-20.49	0	288.229	1.515	1	5	4	Cc1cn(CC(=O)NCc2cocn2)nc1C(F)(F)F
136229016	ZINC000292800974	ref	4.73	-13.48	0	236.315	1.102	1	2	5	C=CCN(CC=C)C(=O)[C@@H]1C[C@H](C)CC(=O)N1
342087351	ZINC000625367661	ref	7.21	-43.04	1	290.367	1.273	2	3	2	O=C(c1cc(=O)[nH]cn1)N1CCCC[C@H]([NH+]2CCCC2)C1
365630538	ZINC000576580410	ref	-0.83	-6.79	0	231.292	0.067	2	4	5	COC[C@@H](NC(=O)C(C)(C)O)[C@@H]1CCCO1
365630546	ZINC000576583864	ref	4.83	-4.68	0	207.277	1.423	1	4	6	C=C(CC)CNc1cc(COC)ncn1
365630552	ZINC000576584084	ref	4.21	-109.54	2	232.78	2.617	2	1	5	C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1sccc1Cl
230722947	ZINC000450363893	ref	6.86	-14.54	0	303.41	1.879	2	6	7	CC[C@H](C[C@H](C)CO)Nc1ccc2nnc([C@H]3C[C@H]3C)n2n1
230722950	ZINC000450365102	ref	7.31	-17.5	0	302.382	1.066	1	6	5	CNC(=O)[C@H](C)CN(C)c1ccc2nnc([C@@H]3C[C@H]3C)n2n1
365630558	ZINC000576584084	mid	3.2	-37.63	1	232.78	2.617	2	2	5	C[C@@H]([NH3+])C[C@@H](C)NCc1sccc1Cl
365630566	ZINC000576580441	ref	3.73	-6.7	0	221.285	1.619	0	5	2	N#Cc1cncc(S[C@@H]2CCCOC2)n1
349534198	ZINC000602428850	mid	7.73	-45.34	1	238.331	2.342	2	2	6	CCCC[N@@H+](C)Cc1cc(C)c(C(=O)OC)[nH]1
365630572	ZINC000576584178	ref	9.54	-5.87	0	235.371	3.358	0	1	5	CCCCN(C(=O)C1CC2(CCC2)C1)C1CC1
349534202	ZINC000602428850	high	5.39	-5.89	0	238.331	2.342	1	3	6	CCCCN(C)Cc1cc(C)c(C(=O)OC)[nH]1
136229017	ZINC000292807031	ref	0.98	-9.56	0	212.293	0.718	3	2	6	CC#CCNC(=O)NCCC[C@H](C)CO
365630579	ZINC000576583080	ref	1.38	-54.5	1	221.304	0.665	3	2	5	C[C@H](CC[NH3+])NC(=O)Cc1ccccc1N
365630587	ZINC000576581822	ref	0.68	-63.52	1	223.276	1.162	3	2	4	Cc1cc(=O)[nH]cc1NC(=O)CC[C@H](C)[NH3+]
365630595	ZINC000175962549	ref	1.97	-7.7	0	241.331	1.224	2	3	3	O=C(NC[C@@H]1CCCOC1)C1(O)CCCCC1
365630497	ZINC000336548242	ref	5.84	-9.67	0	275.348	2.352	1	3	3	CC(=O)c1cc(C(=O)N[C@@H]2CCOC[C@H]2C)ccc1C
365630506	ZINC000336549178	ref	5.4	-7.55	0	288.319	2.261	0	4	3	C[C@@H]1CSCCN1C(=O)c1ccc(OC(F)F)cn1
365630518	ZINC000336548519	ref	5.17	-11.03	0	288.372	2.09	1	3	1	Cc1ccc2sc(C(=O)N3CCNC(=O)C3)c(C)c2c1
365630529	ZINC000336548198	ref	6.33	-18.26	0	252.264	2.405	1	2	3	C[C@@H](CF)NC(=O)c1cn(C)c2ccc(F)cc12
299072119	ZINC000352140208	ref	10.36	-81.34	2	326.529	2.334	3	1	6	C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C
342087352	ZINC000625367661	high	6.05	-56.33	0	290.367	1.273	1	3	2	O=C(c1cc(=O)[n-]cn1)N1CCCC[C@H]([NH+]2CCCC2)C1
365630535	ZINC000336548565	ref	6.37	-8.98	0	286.287	2.271	0	5	2	O=C1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(-c2ccco2)on1
342087353	ZINC000625363946	ref	3.18	-10.24	0	277.353	1.869	1	6	4	Cc1nc([C@@H](C)NC(=O)c2cn(C3CC3)nn2)cs1
342087354	ZINC000625366793	ref	-2.09	-6.98	0	271.744	1.221	3	4	3	OC[C@@H]1CCN(Cc2cc(O)ccc2Cl)C[C@@H]1O
365630543	ZINC000336548293	ref	2.79	-9.67	0	293.841	2.409	0	4	2	C[C@@H]1[C@@H](C)S(=O)(=O)CCN1Cc1ccsc1Cl
365630555	ZINC000336548197	ref	6.33	-18.29	0	252.264	2.405	1	2	3	C[C@H](CF)NC(=O)c1cn(C)c2ccc(F)cc12
342087355	ZINC000625366793	mid	-0.28	-38.98	1	271.744	1.221	4	3	3	OC[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@@H]1O
282121714	ZINC000449151614	ref	4.54	-40.91	1	255.402	2.332	2	2	6	CC[C@@H]([NH2+]C[C@H](O)C1CCOCC1)C1CCCC1
230722946	ZINC000414268706	ref	5.95	-18.55	0	308.23	3.481	1	2	6	CCCC[S@@](=O)CC(=O)Nc1c(Cl)cccc1Cl
365630561	ZINC000336549179	ref	5.45	-7.41	0	288.319	2.261	0	4	3	C[C@H]1CSCCN1C(=O)c1ccc(OC(F)F)cn1
365630570	ZINC000336549112	ref	5.37	-9.61	0	288.372	2.493	1	4	3	Cc1nsc(C)c1C(=O)NC[C@H]1Cc2ccccc2O1
365630581	ZINC000336548771	ref	1.95	-15.38	0	277.324	2.391	2	3	3	NC(=O)c1coc(CNC(=O)N2CCCC23CCC3)c1
365630591	ZINC000336548961	ref	5.71	-17.49	0	288.376	2.058	0	5	2	C[C@@H](C(=O)N1CCSc2ncccc21)c1cnn(C)c1
342087356	ZINC000625366793	mid	0.16	-37.17	1	271.744	1.221	4	3	3	OC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@@H]1O
342087357	ZINC000625366793	high	-1.43	-45.93	-1	271.744	1.221	2	4	3	[O-]c1ccc(Cl)c(CN2CC[C@@H](CO)[C@@H](O)C2)c1
365630600	ZINC000336548353	ref	5.24	-18.04	0	292.404	2.184	1	2	3	C[C@@H]1c2ccccc2CN1C(=O)NCC1([S@](C)=O)CC1
259309325	ZINC000526043740	ref	3.74	-12.02	0	220.223	0.907	0	5	7	CCCc1nnnn1CCOCC(F)F
365630610	ZINC000336548706	ref	5.54	-46.89	-1	261.35	2.319	0	3	2	Cc1cc(=NC(=O)[C@@H](C)c2cccs2)[n-]nc1C
365630533	ZINC000274347917	ref	5.42	-8.65	0	262.342	1.659	1	7	4	CCc1nc(N)nc(S[C@@H](C)c2cnccn2)n1
342594395	ZINC000616960325	ref	1.3	-17.11	0	289.335	1.021	2	4	4	O=C(N[C@@H]1CCNC1=O)c1ccc(OC2CCCC2)nc1
365630542	ZINC000274346745	ref	2.6	-7.81	0	269.276	1.54	2	4	4	COC(=O)N[C@@H](C(=O)Nc1cccc(F)n1)C(C)C
365630550	ZINC000274346170	ref	0.55	-14.1	0	285.254	1.236	2	5	5	C[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1cn[nH]c1
342594396	ZINC000616960502	ref	2.82	-17.08	0	278.356	1.171	2	4	5	CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CCNC1=O
342594397	ZINC000616960701	ref	3.88	-15.78	0	280.755	1.523	2	2	4	C[C@H](Cc1cccc(Cl)c1)C(=O)N[C@H]1CCNC1=O
365630563	ZINC000274347585	ref	4.01	-11.64	0	293.363	1.201	1	4	6	C[C@@H](O)C[C@@H]1COCCN1C(=O)COCc1ccccc1
365630574	ZINC000274345063	ref	1.87	-14.5	0	298.293	1.07	3	4	5	Cc1ccc2nc(CNC(=O)NCC(F)(F)CO)cn2c1
230722935	ZINC000425401638	ref	2.11	-11.39	0	316.352	2.134	1	5	4	CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2nc(C(F)F)no2)C1
365630586	ZINC000274345063	low	2.31	-33.85	1	298.293	1.07	3	3	5	Cc1ccc2[nH+]c(CNC(=O)NCC(F)(F)CO)cn2c1
295666162	ZINC000366147712	ref	1.94	-20.02	0	318.377	0.774	2	4	4	O=C(NC[C@@H]1CCCO1)N[C@@H]1CCN(C(=O)c2ccncc2)C1
365630590	ZINC000274346679	ref	3.38	-16.06	0	269.272	1.926	1	4	5	CC(=O)Nc1ccc(OCCC2OCCO2)c(F)c1
365630601	ZINC000274347490	ref	1.86	-5.91	0	279.38	1.805	1	4	6	COCc1cccc(CN2CCOC[C@H]2C[C@@H](C)O)c1
365630607	ZINC000274347490	mid	4.19	-37.15	1	279.38	1.805	2	3	6	COCc1cccc(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)c1
432002718	ZINC000129172233	high	4.94	-41.96	-1	307.337	3.086	0	2	4	O=S(=O)([N-][C@@H](C1CCCC1)C(F)(F)F)c1ccccc1
342594398	ZINC000590781358	ref	5.1	-10.1	0	271.32	1.755	1	4	3	COC(=O)c1cccc2c1CCN(Cc1cn[nH]c1)C2
230722952	ZINC000425406362	ref	7.77	-9.54	0	322.449	2.051	0	3	3	C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](OCC3CC3)C2)[C@H](C)C1
342594399	ZINC000590781358	low	7.37	-43.81	1	271.32	1.755	2	3	3	COC(=O)c1cccc2c1CC[N@H+](Cc1cn[nH]c1)C2
365630612	ZINC000274347490	mid	4.06	-36.85	1	279.38	1.805	2	3	6	COCc1cccc(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)c1
349534199	ZINC000618810440	ref	6.28	-15.97	0	295.346	1.564	0	5	4	CN(Cc1cn(C)nn1)C(=O)Cc1cnc2ccccc2c1
365630620	ZINC000274347491	ref	3.29	-5.65	0	279.38	1.805	1	4	6	COCc1cccc(CN2CCOC[C@H]2C[C@H](C)O)c1
365630556	ZINC000641596745	low	1.78	-35.09	1	280.343	1.977	1	3	2	C[C@]1(O)CCOC[C@H]1[C@@H]1CCCN1c1cc[nH+]cc1F
365630562	ZINC000641596639	ref	1.21	-10.99	0	270.354	1.049	1	4	7	COC[C@@H](C)S(=O)(=O)NC/C=C\c1cccnc1
365630568	ZINC000641596821	ref	5.5	-14.27	0	267.373	1.439	1	2	3	CC(=O)N1CC[C@@H](CNC(=O)N(C)C2CCCC2)C1
178299302	ZINC000237135195	ref	5.13	-55.41	1	360.502	1.851	2	3	9	CN1CCN(C(=O)Cc2cccc(NC(=O)CCCCCC[NH3+])c2)CC1
178299305	ZINC000237135195	mid	7.48	-100.04	2	360.502	1.851	3	2	9	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)CCCCCC[NH3+])c2)CC1
365630575	ZINC000641596852	ref	4.96	-13.67	0	269.389	1.685	1	2	4	CCC(C)(C)N(C)C(=O)NC[C@@H]1CCN(C(C)=O)C1
168364580	ZINC000368496600	ref	8.01	-8.0	0	348.443	3.066	0	4	4	CCN(C(=O)C[C@@H]1COCCN1C(=O)OC(C)(C)C)c1ccccc1
365630585	ZINC000641596036	ref	2.97	-12.11	0	281.381	1.271	1	3	5	C[C@@H]1CCN(S(=O)(=O)NC/C=C/c2cccnc2)C1
178299307	ZINC000237130469	ref	4.75	-35.47	1	351.472	1.26	2	3	6	C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
282121715	ZINC000248968192	mid	4.6	-46.49	1	303.472	1.425	2	2	5	C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCC[C@@H]1C
178299310	ZINC000237125774	ref	4.94	-53.53	1	350.484	1.91	2	3	7	COCC[S@](=O)Cc1cccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)c1
282121720	ZINC000248968192	high	2.27	-7.79	0	303.472	1.425	1	3	5	C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)N1CCC[C@@H]1C
178299311	ZINC000237135349	ref	2.62	-45.33	1	371.478	1.761	3	3	7	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@H](C[NH3+])C2CCCCC2)c1
178299315	ZINC000237134121	ref	4.4	-59.99	1	361.486	1.577	2	3	7	COc1ccccc1CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178299318	ZINC000237127248	ref	6.2	-40.67	1	359.47	1.345	2	3	6	COc1ccccc1CC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
282121725	ZINC000248967030	ref	3.33	-45.7	1	304.456	1.348	2	3	6	C[C@@H]1OCC[C@H]1S(=O)(=O)NCC[C@H](C)[NH+]1CCCCC1
178299320	ZINC000237129170	ref	3.53	-53.04	1	357.501	1.112	1	4	4	C[NH2+]C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)CC1
230722982	ZINC000425406363	ref	7.78	-9.87	0	322.449	2.051	0	3	3	C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](OCC3CC3)C2)[C@H](C)C1
178299324	ZINC000237135501	ref	5.17	-50.3	1	367.515	1.512	2	3	8	C[NH2+]CCCC(=O)N1CCC[C@@H](CNS(=O)(=O)c2ccc(C)cc2)C1
365630592	ZINC000641596744	ref	3.23	-3.96	0	280.343	1.977	1	4	2	C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1ccncc1F
365639762	ZINC000576614829	high	5.7	-7.58	0	242.326	1.592	1	4	1	Cc1ccc(N2C[C@@H]3CCC[C@H](C2)N3)nc1C#N
197590759	ZINC000290088573	ref	3.94	-45.21	1	290.407	1.657	3	2	7	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H](CCO)c1ccccc1
365630559	ZINC000617414304	mid	5.51	-51.09	1	296.415	0.59	2	2	2	CN(C)C(=O)N1CCC(C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1
365630565	ZINC000617414304	high	3.14	-16.08	0	296.415	0.59	1	3	2	CN1CCC[C@H](NC(=O)C2CCN(C(=O)N(C)C)CC2)C1
365630571	ZINC000617414785	ref	3.55	-56.56	1	291.351	0.375	3	3	5	C[N@@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1
365630577	ZINC000617414785	mid	4.07	-60.13	1	291.351	0.375	3	3	5	C[N@H+]1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1
398248039	ZINC000651458041	ref	7.33	-4.36	0	299.212	3.38	1	3	6	Cc1ccnc(N[C@@H](C)COCC2CC2)c1Br
230722974	ZINC000450365823	ref	10.8	-110.41	2	309.414	1.7	2	4	10	C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])nc1
365630582	ZINC000617414785	mid	1.18	-22.79	0	291.351	0.375	2	4	5	CN1CCC[C@H](NC(=O)c2cccc(OCC(N)=O)c2)C1
282121717	ZINC000533466172	ref	6.14	-9.77	0	286.375	1.962	2	2	6	CC1=C(C(=O)NCC(=O)NCCc2ccccc2)CCC1
343994890	ZINC000599274808	mid	6.68	-38.66	1	287.4	1.703	1	4	9	COC(=O)CC[N@@H+](CCOC1CCOCC1)CC(C)C
197590763	ZINC000290090385	ref	7.66	-46.14	1	294.399	1.895	2	3	3	CC(C)(C)OC(=O)N1CCC[N@H+](CCc2cn[nH]c2)CC1
343994893	ZINC000599273462	ref	3.94	-14.96	0	282.369	1.043	0	5	2	Cc1ncc(S(=O)(=O)N2CCC(C)(C#N)CC2)n1C
197590764	ZINC000290090385	mid	7.64	-45.59	1	294.399	1.895	2	3	3	CC(C)(C)OC(=O)N1CCC[N@@H+](CCc2cn[nH]c2)CC1
295666166	ZINC000412984696	ref	7.31	-10.74	0	300.383	2.872	1	3	4	C[C@H]1NC(=O)N(CCSc2ccc3ccccc3c2)C1=O
343994896	ZINC000599275069	ref	4.63	-36.23	0	263.301	1.333	1	4	4	CCO[C@H](C)C(=O)Nc1nnc2[n-][nH+]c(C)c(C)c1-2
323004368	ZINC000564515720	ref	7.5	-37.22	1	215.406	3.106	1	1	3	C[C@@H]([N@H+](C)C[C@H]1CCSC1)C(C)(C)C
365630588	ZINC000617415155	ref	4.93	-45.16	1	269.389	0.748	3	2	3	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1
365630594	ZINC000617415155	mid	4.4	-43.77	1	269.389	0.748	3	2	3	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](C)C1
365630598	ZINC000617415155	mid	2.05	-8.93	0	269.389	0.748	2	3	3	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(C)C1
259309326	ZINC000320571680	ref	5.9	-42.14	1	218.304	2.101	3	2	4	C[C@H]([NH3+])C[C@@H](C)Nc1nc2ccccc2[nH]1
197590766	ZINC000290090385	mid	5.83	-9.64	0	294.399	1.895	1	4	3	CC(C)(C)OC(=O)N1CCCN(CCc2cn[nH]c2)CC1
365630603	ZINC000617414819	ref	3.98	-48.81	1	266.345	0.911	2	4	5	Cc1noc(CCCC(=O)N[C@H]2CCC[N@@H+](C)C2)n1
349534203	ZINC000618812092	ref	6.76	-10.72	0	270.336	1.505	0	4	4	CN(Cc1cn(C)nn1)C(=O)C1(c2ccccc2)CC1
197590762	ZINC000162779143	ref	3.09	-23.03	0	319.81	2.5	1	4	4	COc1ccc(Cl)c(NC(=O)CS(=O)(=O)C(C)(C)C)c1
365630576	ZINC000625060319	ref	5.33	-11.72	0	321.389	2.194	0	3	7	COC(C)(C)CN(C)S(=O)(=O)CCc1c(F)cccc1F
342594400	ZINC000590781358	low	7.36	-45.18	1	271.32	1.755	2	3	3	COC(=O)c1cccc2c1CC[N@@H+](Cc1cn[nH]c1)C2
365630584	ZINC000625060147	ref	3.11	-10.65	0	319.467	2.069	1	4	5	CC1(C)C[C@@H](S(=O)(=O)NCC(C)(C)[C@@H]2CCCCO2)CO1
365630596	ZINC000625061318	ref	7.15	-9.73	0	318.343	2.408	0	5	4	CC(C)Cn1c(CC(F)(F)F)nnc1N1CC2(CCCO2)C1
365630605	ZINC000625059761	ref	7.82	-12.4	0	310.463	2.383	1	3	2	CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@@H]1CCCC12CC2
349534208	ZINC000618812500	ref	6.83	-25.84	0	288.351	1.549	0	5	5	Cc1ccc(O[C@@H](C)C(=O)N(C)Cc2cn(C)nn2)cc1
349534214	ZINC000618812659	ref	6.18	-20.39	0	258.325	1.704	0	4	3	Cc1ccc(C(=O)N(C)Cc2cn(C)nn2)c(C)c1
168365914	ZINC000076094967	ref	2.92	-46.88	1	195.266	0.815	2	2	2	C[C@@H]([NH3+])Cn1c2c([nH]c1=O)CCCC2
365630614	ZINC000625059758	ref	7.93	-13.24	0	310.463	2.383	1	3	2	CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@@H]1CCCC12CC2
365630622	ZINC000625060744	ref	7.94	-46.64	1	309.211	2.252	1	3	5	Cn1cc(CC[N@H+](C)Cc2ccc(Br)cc2)nn1
230722984	ZINC000414267719	ref	5.6	-11.51	0	309.456	3.393	1	4	6	CC[C@@H](NCc1ccccc1S(C)(=O)=O)c1ccsc1
230722985	ZINC000414267719	mid	6.28	-48.04	1	309.456	3.393	1	3	6	CC[C@@H]([NH2+]Cc1ccccc1S(C)(=O)=O)c1ccsc1
342594401	ZINC000616960355	ref	4.6	-18.19	0	294.782	1.913	2	2	5	C[C@H](CC(=O)N[C@H]1CCNC1=O)Cc1ccc(Cl)cc1
342594402	ZINC000590778316	ref	4.5	-13.92	0	278.312	1.915	0	7	3	C[C@H](C(=O)OC(C)(C)C)c1noc(-c2ccn(C)n2)n1
342594403	ZINC000616960329	ref	3.96	-19.49	0	278.377	1.346	2	3	5	CCSc1ccc(CC(=O)N[C@@H]2CCNC2=O)cc1
342594404	ZINC000616960700	ref	3.88	-16.41	0	280.755	1.523	2	2	4	C[C@@H](Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCNC1=O
365630635	ZINC000625060744	mid	7.94	-46.84	1	309.211	2.252	1	3	5	Cn1cc(CC[N@@H+](C)Cc2ccc(Br)cc2)nn1
365630640	ZINC000625060744	high	5.59	-9.68	0	309.211	2.252	0	4	5	CN(CCc1cn(C)nn1)Cc1ccc(Br)cc1
349534218	ZINC000618811960	ref	5.73	-24.09	0	283.335	1.877	1	4	3	Cc1[nH]c2ccccc2c1C(=O)N(C)Cc1cn(C)nn1
230722992	ZINC000414268399	ref	5.07	-14.16	0	310.444	3.119	0	5	6	COc1cccc(C[S@](=O)Cc2nnc(C(C)C)s2)c1
365630578	ZINC000172880892	mid	4.95	-41.1	1	288.347	1.375	2	3	4	COC[C@@H]1C[N@H+](Cc2cc3ccccc3[nH]c2=O)CCO1
365630583	ZINC000172880892	mid	4.84	-41.84	1	288.347	1.375	2	3	4	COC[C@@H]1C[N@@H+](Cc2cc3ccccc3[nH]c2=O)CCO1
282121718	ZINC000425614896	high	0.49	-12.61	0	330.819	2.653	0	4	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ncncc1Cl
299072121	ZINC000459273620	ref	5.35	-12.43	0	322.405	2.84	1	4	5	CC[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1c1ccc(COC)o1
365630589	ZINC000172879050	ref	1.99	-26.73	0	299.392	1.231	2	4	7	CCc1ccccc1NC(=O)CS(=O)(=O)C[C@@H](C)CO
365630599	ZINC000172878038	ref	5.43	-10.35	0	251.326	1.913	1	3	6	CO[C@@H](C)C(=O)NC[C@@H](C)Oc1ccccc1C
342087358	ZINC000625366725	ref	0.37	-8.16	0	273.283	1.539	1	5	3	O[C@H]1CN(Cc2noc(C3CCC3)n2)CC(F)(F)C1
365630606	ZINC000172876566	ref	3.7	-7.92	0	257.28	1.812	0	3	4	COC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1
342087359	ZINC000625367363	ref	3.35	-10.92	0	261.387	1.545	1	3	8	CCOC[C@H](C)CS(=O)(=O)NCC1CC=CC1
342087360	ZINC000625367680	ref	3.29	-10.43	0	261.387	1.543	1	3	7	CO[C@@H](CS(=O)(=O)NCC1CC=CC1)C(C)C
342087361	ZINC000625367459	ref	4.17	-8.68	0	284.4	1.126	0	4	6	CCCN1CCCN(CCOC2CCOCC2)CC1=O
323004369	ZINC000564515720	mid	8.5	-36.61	1	215.406	3.106	1	1	3	C[C@@H]([N@@H+](C)C[C@H]1CCSC1)C(C)(C)C
342087362	ZINC000625367459	mid	6.32	-44.35	1	284.4	1.126	1	3	6	CCCN1CCC[N@H+](CCOC2CCOCC2)CC1=O
365630618	ZINC000172880296	ref	2.75	-7.39	0	280.368	1.554	0	5	5	COC[C@@H]1CN(Cc2ncc(C)c(OC)c2C)CCO1
365630624	ZINC000172880296	mid	3.51	-34.15	1	280.368	1.554	0	4	5	COC[C@@H]1CN(Cc2[nH+]cc(C)c(OC)c2C)CCO1
342087363	ZINC000625367459	mid	6.3	-43.26	1	284.4	1.126	1	3	6	CCCN1CCC[N@@H+](CCOC2CCOCC2)CC1=O
342087364	ZINC000625364146	ref	5.42	-14.23	0	265.357	1.71	0	4	4	CCn1cc(C(=O)N(C)C[C@@H]2CCCOC2)c(C)n1
342087365	ZINC000625367520	ref	3.19	-42.41	1	253.317	1.309	3	2	3	Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1F
168365919	ZINC000076094967	high	2.6	-9.53	0	195.266	0.815	2	3	2	C[C@@H](N)Cn1c2c([nH]c1=O)CCCC2
365630639	ZINC000172878758	ref	5.63	-21.4	0	294.399	1.321	1	4	8	CCN(Cc1cnn(C)c1)C(=O)CCNC(=O)CC(C)C
365630651	ZINC000172876960	ref	5.66	-14.84	0	273.336	1.775	1	4	6	Cc1ccccc1O[C@@H](C)CNC(=O)Cn1cccn1
342087366	ZINC000625367520	mid	2.78	-44.98	1	253.317	1.309	3	2	3	Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1F
168365922	ZINC000011596527	ref	3.49	-52.02	1	182.252	0.68	1	4	2	C[C@@H]([NH3+])Cc1csc2ncnn12
365630593	ZINC000122736684	ref	3.5	-8.48	0	269.366	2.443	1	4	3	COc1csc(C(=O)NC2C[C@H](C)O[C@@H](C)C2)c1
365630608	ZINC000122764733	ref	6.29	-43.36	1	288.435	2.449	1	2	6	C[C@H]([NH2+]CCCN1CCc2ccccc2C1)[C@@H]1CCOC1
365630619	ZINC000122764733	mid	8.87	-114.87	2	288.435	2.449	2	1	6	C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1
365630625	ZINC000122764733	mid	8.87	-114.79	2	288.435	2.449	2	1	6	C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1
230723007	ZINC000450363743	ref	4.13	-11.94	0	315.357	1.84	1	4	7	CO[C@H]1COCC[C@H]1CC(=O)NCCSCC(F)(F)F
365630641	ZINC000122787542	ref	5.64	-10.47	0	274.364	2.044	1	2	3	CCC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C)cc1C
365630660	ZINC000122661432	ref	7.01	-13.05	0	291.347	2.283	0	4	9	C=CCN(CC=C)C(=O)COc1cc(OC)cc(OC)c1
342594405	ZINC000590781324	ref	4.54	-18.65	0	262.288	1.445	0	5	6	COCCN(CC#N)Cc1cn2cccc(F)c2n1
282121721	ZINC000449151528	ref	3.67	-41.63	1	287.363	2.346	2	3	7	CCC[NH2+][C@H](C)C(=O)NCc1ncoc1-c1ccccc1
230723013	ZINC000450365068	ref	10.1	-39.64	1	323.397	1.63	1	6	8	CC[NH+](CC)CCO[C@H]1CCN(c2ncc([N+](=O)[O-])c(C)n2)C1
282121728	ZINC000449151499	ref	5.74	-47.38	1	293.386	2.394	2	2	5	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccncc2F)C1
365630678	ZINC000122659558	ref	6.29	-15.73	0	268.382	2.391	0	4	7	C=CCCO[C@@H](C)C(=O)N(C)Cc1csc(C)n1
365630688	ZINC000122669511	ref	4.48	-12.42	0	276.361	2.398	1	3	4	C=C(C)CNS(=O)(=O)c1cccc2cc(C)cnc12
342594406	ZINC000590781219	ref	2.93	-11.04	0	293.415	1.581	0	6	8	COCCN(CC#N)Cc1c(C(C)C)nn(C)c1N(C)C
342594407	ZINC000194358039	ref	2.0	-12.29	0	274.405	1.611	3	3	9	COC[C@H](O)CCNC(=O)NCC(C(C)C)C(C)C
342594408	ZINC000590780550	ref	7.5	-14.19	0	293.346	1.766	0	6	3	CCn1c(N2CC[C@](F)(C#N)C2)nnc1[C@@]1(C)CCCO1
365630701	ZINC000122664984	ref	2.66	-39.12	-1	261.306	2.492	0	6	3	CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)co1
365630712	ZINC000122776057	ref	7.06	-7.6	0	295.342	2.489	1	3	2	C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc(C#N)[nH]1
365630729	ZINC000122650603	ref	7.94	-7.83	0	269.344	2.112	1	2	2	O=C(C#Cc1ccccc1)N[C@@H]1CCO[C@@H](C2CC2)C1
168365926	ZINC000020445982	ref	2.35	-45.61	1	139.202	0.31	1	2	2	C[C@@H]([NH3+])Cc1nccn1C
365630741	ZINC000122654766	ref	5.45	-10.91	0	288.116	2.269	1	2	5	C=CCNC(=O)COc1cc(F)ccc1Br
342594409	ZINC000590781253	ref	2.98	-16.19	0	271.32	1.912	1	4	6	COCCN(CC#N)Cc1cc2ccccc2[nH]c1=O
398248041	ZINC000651458041	low	7.68	-30.16	1	299.212	3.38	1	2	6	Cc1cc[nH+]c(N[C@@H](C)COCC2CC2)c1Br
365630597	ZINC000641596744	low	3.69	-37.98	1	280.343	1.977	1	3	2	C[C@]1(O)CCOC[C@H]1[C@H]1CCCN1c1cc[nH+]cc1F
230723018	ZINC000414267612	ref	5.84	-15.26	0	305.802	3.212	1	2	4	CC(C)(C)C[S@](=O)CC(=O)Nc1ccc(F)cc1Cl
365630604	ZINC000641597093	ref	2.89	-16.01	0	291.347	1.309	1	4	6	COCCCOc1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365630613	ZINC000641596675	ref	3.22	-14.29	0	266.366	1.367	1	4	4	Cc1nc(CCCC(=O)N2C[C@@H]3C[C@]3(O)C2)cs1
365630621	ZINC000641596819	ref	2.26	-15.14	0	275.352	1.023	1	4	3	O=C([C@H]1CCN(c2cc(CO)ccn2)C1)N1CCCC1
365630644	ZINC000641596819	low	2.73	-36.1	1	275.352	1.023	1	3	3	O=C([C@H]1CCN(c2cc(CO)cc[nH+]2)C1)N1CCCC1
178299313	ZINC000133209731	low	7.04	-23.94	1	244.338	2.75	1	2	4	Cc1cc2ccccc2[nH+]c1N(C)CC[C@H](C)O
178299316	ZINC000063105661	ref	3.1	-9.2	0	202.257	1.947	2	3	3	Cc1cc2ccccc2nc1NCCO
178299321	ZINC000063105661	low	3.44	-24.51	1	202.257	1.947	2	2	3	Cc1cc2ccccc2[nH+]c1NCCO
178299326	ZINC000122165118	ref	5.35	-7.72	0	244.338	2.972	2	3	4	Cc1cc2ccccc2nc1N[C@@H](C)[C@@H](C)CO
178299329	ZINC000122165118	low	5.66	-25.61	1	244.338	2.972	2	2	4	Cc1cc2ccccc2[nH+]c1N[C@@H](C)[C@@H](C)CO
178299334	ZINC000000416332	ref	7.48	-50.79	-1	233.292	2.72	0	4	3	Cc1cc2ccccc2nc1SCC(=O)[O-]
199272978	ZINC000181261530	ref	5.31	-10.81	0	314.332	3.006	1	3	2	CC(C)(C)Oc1c(F)cc(NC(=O)N2CCOCC2)cc1F
178299337	ZINC000301732870	ref	9.83	-7.14	0	240.35	3.778	0	2	1	Cc1cc2ccccc2nc1N1CC[C@@H](C)[C@H]1C
178299339	ZINC000301732870	low	10.23	-21.02	1	240.35	3.778	0	1	1	Cc1cc2ccccc2[nH+]c1N1CC[C@@H](C)[C@H]1C
178299342	ZINC000149967875	ref	7.08	-6.39	0	242.322	3.133	1	3	2	Cc1cc2ccccc2nc1N[C@H]1CCO[C@H]1C
178299347	ZINC000149967875	low	7.37	-25.81	1	242.322	3.133	1	2	2	Cc1cc2ccccc2[nH+]c1N[C@H]1CCO[C@H]1C
178299350	ZINC000063105710	ref	4.04	-7.96	0	216.284	2.336	2	3	3	Cc1cc2ccccc2nc1N[C@H](C)CO
199272981	ZINC000181265829	ref	8.05	-7.22	0	316.449	2.82	2	5	4	OC[C@H]1CCCN(c2cc(N[C@@H]3CC34CCCCC4)ncn2)C1
178299353	ZINC000063105710	low	4.36	-23.87	1	216.284	2.336	2	2	3	Cc1cc2ccccc2[nH+]c1N[C@H](C)CO
398248042	ZINC000649442457	ref	5.74	-6.94	0	226.279	2.932	0	3	4	c1cnc(OCC2CC2)c(-c2ccncc2)c1
398248044	ZINC000649442605	ref	6.12	-6.96	0	216.284	2.542	0	3	3	COCc1ccccc1-c1cn(C)nc1C
365630650	ZINC000641596991	ref	5.07	-14.29	0	255.362	1.295	1	2	4	CCN(C(=O)NC[C@H]1CCN(C(C)=O)C1)C(C)C
365630602	ZINC000576584943	ref	2.74	-102.68	2	225.38	1.045	2	1	3	C[C@H]([NH3+])[C@@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1
365630609	ZINC000576584943	mid	4.78	-196.95	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1
230723025	ZINC000425413204	ref	9.24	-38.24	1	317.433	2.466	2	3	6	CO[C@@H](C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1)C1CC1
342594410	ZINC000590781245	ref	7.63	-10.46	0	271.324	1.239	0	6	7	COCCN(CC#N)Cc1ccccc1-n1cncn1
342594411	ZINC000616960477	ref	3.12	-17.61	0	290.367	1.315	2	4	3	Cc1c(C(=O)N[C@H]2CCNC2=O)cnn1C1CCCCC1
342594412	ZINC000616960264	ref	3.33	-19.06	0	266.366	1.384	2	3	5	Cc1ccsc1CCCC(=O)N[C@@H]1CCNC1=O
342594413	ZINC000616960693	ref	4.2	-17.66	0	274.364	1.992	2	2	4	CCC(C)(C)c1ccc(C(=O)N[C@H]2CCNC2=O)cc1
192037536	ZINC000418461572	ref	-0.16	-49.66	1	245.367	0.678	4	2	6	C[C@@H](C[NH3+])CNC(=O)N[C@@H](CO)CC(C)(C)C
230723028	ZINC000425413204	mid	8.96	-41.27	1	317.433	2.466	2	3	6	CO[C@@H](C[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1)C1CC1
342594414	ZINC000616960299	ref	2.72	-16.88	0	264.35	1.173	2	3	2	O=C(N[C@@H]1CCNC1=O)[C@H]1CCCc2sccc21
365630615	ZINC000576584943	mid	4.3	-188.79	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1
342594415	ZINC000590781193	ref	4.4	-12.22	0	288.311	1.035	1	6	4	O=[N+]([O-])c1cccnc1N1CCN(Cc2cn[nH]c2)CC1
197590786	ZINC000290089309	ref	5.63	-7.23	0	280.393	3.169	1	3	2	CC1(C)CN(C(=O)Nc2ccsc2)[C@H]1[C@@H]1CCCO1
365630623	ZINC000576582824	ref	2.49	-105.34	2	243.376	-0.113	2	2	2	C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)C[C@H]1[NH3+]
365630628	ZINC000576582824	high	1.43	-57.21	1	243.376	-0.113	2	3	2	C[C@@H]1CN(C(=O)C[C@H]2CSCCN2)C[C@H]1[NH3+]
230723041	ZINC000425410054	ref	7.52	-44.74	1	306.454	2.346	3	2	5	C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1
365630632	ZINC000576581353	ref	3.97	-97.52	2	239.363	0.583	2	1	1	C[C@H]1C[C@@H](C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC[NH2+]1
342594416	ZINC000590781193	low	6.66	-46.28	1	288.311	1.035	2	5	4	O=[N+]([O-])c1cccnc1N1CC[NH+](Cc2cn[nH]c2)CC1
230723048	ZINC000425410070	ref	5.57	-12.11	0	307.438	2.313	3	2	7	O=C(CCCNC(=O)N[C@@H]1CCC[C@H](C2CC2)C1)NC1CC1
342594417	ZINC000616960425	ref	3.78	-18.39	0	294.301	1.391	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccc(F)cc2F)CCC1
192037538	ZINC000418465243	ref	1.66	-49.2	1	243.351	0.541	3	2	6	CCC[NH2+]CCNC(=O)N(C)[C@@H]1CCC[C@H]1O
343994892	ZINC000625564073	ref	2.91	-19.3	0	238.291	-0.166	2	4	6	CNC(=O)CCCNC(=O)Cn1cncc1C
365630633	ZINC000576581353	high	2.72	-44.14	1	239.363	0.583	2	2	1	C[C@H]1C[C@@H](C(=O)N2C[C@@H](C)NC[C@@H]2C)CC[NH2+]1
197590776	ZINC000162786191	ref	4.19	-13.26	0	302.399	2.653	2	4	6	Cc1ccc(C(=O)NCCCO)c(Sc2ccccc2)n1
365630611	ZINC000617414819	mid	4.52	-51.77	1	266.345	0.911	2	4	5	Cc1noc(CCCC(=O)N[C@H]2CCC[N@H+](C)C2)n1
342594418	ZINC000616960692	ref	4.2	-17.65	0	274.364	1.992	2	2	4	CCC(C)(C)c1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
365630617	ZINC000617414819	high	1.62	-15.22	0	266.345	0.911	1	5	5	Cc1noc(CCCC(=O)N[C@H]2CCCN(C)C2)n1
342600476	ZINC000616999510	high	5.78	-37.46	1	295.471	1.955	2	2	4	CN1CCC(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1
365630627	ZINC000617410464	ref	4.53	-17.85	0	280.284	0.408	1	6	3	CCn1cc([N+](=O)[O-])c(C(=O)N2C[C@H](O)C3(CC3)C2)n1
197590782	ZINC000162786432	ref	4.09	-13.16	0	310.369	2.149	2	3	4	C[C@@H](CNC(=O)N1CCC[C@](C)(O)C1)Oc1ccccc1F
365630637	ZINC000617414845	ref	6.39	-50.23	1	281.4	0.844	2	2	2	C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1
365630638	ZINC000617414845	mid	5.85	-47.02	1	281.4	0.844	2	2	2	C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1
365630643	ZINC000617414845	high	3.51	-14.22	0	281.4	0.844	1	3	2	CN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1
365630648	ZINC000617414303	ref	5.52	-49.9	1	296.415	0.59	2	2	2	CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1
342600671	ZINC000617003240	ref	4.82	-44.72	1	295.427	1.282	3	2	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCC(=O)N2)C1
365630653	ZINC000617414303	mid	6.04	-52.84	1	296.415	0.59	2	2	2	CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1
365630658	ZINC000617414303	high	3.15	-16.21	0	296.415	0.59	1	3	2	CN1CCC[C@@H](NC(=O)C2CCN(C(=O)N(C)C)CC2)C1
365630664	ZINC000617415125	ref	5.32	-47.67	1	265.357	0.208	2	2	3	C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1
365630672	ZINC000617415125	mid	5.84	-49.96	1	265.357	0.208	2	2	3	C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1
365630677	ZINC000617415125	high	2.96	-11.58	0	265.357	0.208	1	3	3	CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1
365630684	ZINC000617415106	ref	4.76	-44.53	1	270.373	0.783	2	3	6	C[N@@H+]1CCC[C@@H](NC(=O)CCOC[C@H]2CCCO2)C1
365630686	ZINC000617415106	mid	4.23	-43.06	1	270.373	0.783	2	3	6	C[N@H+]1CCC[C@@H](NC(=O)CCOC[C@H]2CCCO2)C1
197590788	ZINC000162784243	ref	5.82	-13.5	0	306.328	2.092	1	2	3	CC1(C)CC[C@H](NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)C1
365630692	ZINC000617415106	high	1.87	-9.62	0	270.373	0.783	1	4	6	CN1CCC[C@@H](NC(=O)CCOC[C@H]2CCCO2)C1
365630697	ZINC000617412891	ref	0.92	-50.94	1	256.35	0.035	4	2	6	C[N@@H+]1CCC[C@H](NC(=O)CCCCNC(N)=O)C1
365630616	ZINC000336548706	low	5.39	-11.76	0	261.35	2.319	1	3	2	Cc1cc(=NC(=O)[C@@H](C)c2cccs2)[nH]nc1C
365630626	ZINC000336548524	ref	3.14	-11.11	0	250.327	2.054	1	5	2	Cc1ncsc1NC(=O)c1c(C)nn(C)c1C
365630631	ZINC000336548390	ref	6.08	-9.24	0	262.353	2.07	0	3	3	C[C@H]1COCCN(C(=O)C[C@@H](C)c2cccnc2)C1
365630649	ZINC000336548700	ref	6.49	-11.25	0	276.38	2.004	1	2	3	O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C1=CCCC1
178299327	ZINC000237131228	ref	8.28	-49.2	1	359.47	1.514	1	3	5	C[NH2+]C1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1
365630655	ZINC000336548213	ref	8.57	-36.22	1	273.38	2.125	1	2	3	C[NH+](C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cn2)C1
365630662	ZINC000336548213	high	6.14	-7.26	0	273.38	2.125	0	3	3	CN(C)[C@@H]1CCCN(C(=O)c2ccc(C3CC3)cn2)C1
365630671	ZINC000336548556	ref	6.63	-12.61	0	289.375	2.047	0	3	2	COc1cccc2c1CCN(C(=O)[C@@H]1CCO[C@H]1C)CC2
365630679	ZINC000336548300	ref	8.49	-10.91	0	287.338	2.243	0	3	3	C[C@@H](Cc1ccccc1F)C(=O)N1CCn2ccnc2C1
219047745	ZINC000350693496	mid	6.89	-10.87	0	278.4	2.41	1	3	6	CC(C)[C@H]1N(C(=O)CCCCc2cn[nH]n2)CC1(C)C
365630685	ZINC000336548300	low	8.96	-38.82	1	287.338	2.243	0	2	3	C[C@@H](Cc1ccccc1F)C(=O)N1CCn2cc[nH+]c2C1
365630693	ZINC000336548971	ref	6.24	-44.01	1	262.328	2.29	1	3	3	C[C@H](O)C1CCN(Cc2cccc(F)c2C#N)CC1
365630700	ZINC000336548971	mid	6.24	-44.01	1	262.328	2.29	2	2	3	C[C@H](O)C1CC[NH+](Cc2cccc(F)c2C#N)CC1
365630707	ZINC000336548175	ref	8.24	-39.04	1	293.436	2.036	1	3	1	Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CCC[N@@H+](C)CC1
178299330	ZINC000237132526	ref	2.24	-63.55	1	361.467	1.344	3	3	8	CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1
398248043	ZINC000651457918	ref	7.64	-6.58	0	250.386	3.149	1	1	2	CC[C@H]1[C@@H](C)CCN1C(=O)NC1CC2(CCC2)C1
398248045	ZINC000651458253	ref	6.76	-4.21	0	285.185	3.071	1	3	6	C[C@@H](COCC1CC1)Nc1ncccc1Br
365630713	ZINC000336548175	mid	8.03	-46.34	1	293.436	2.036	1	3	1	Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CCC[N@H+](C)CC1
136229018	ZINC000292807481	ref	5.23	-11.39	0	226.32	1.466	1	2	7	C#CCN(C)C(=O)NCCCCOC(C)C
136229019	ZINC000184902614	ref	9.11	-6.95	0	247.338	3.16	0	3	7	C=C(C)C[C@@H](C)C(=O)OCCCc1ccncc1
259309327	ZINC000320571680	mid	6.38	-97.55	2	218.304	2.101	3	1	4	C[C@H]([NH3+])C[C@@H](C)Nc1[nH]c2ccccc2[nH+]1
168365929	ZINC000020445982	low	2.86	-99.8	2	139.202	0.31	1	1	2	C[C@@H]([NH3+])Cc1[nH+]ccn1C
398249410	ZINC000369132071	mid	7.01	-49.36	1	236.395	1.125	2	3	2	C[Si](C)(C)C[N@H+]1CCc2nnc(N)cc2C1
342594419	ZINC000616960748	ref	3.22	-17.59	0	290.367	1.35	2	4	5	CC[C@H](C)n1ncc(C(=O)N[C@@H]2CCNC2=O)c1C1CC1
349534205	ZINC000602429279	ref	5.99	-12.82	0	238.291	1.726	0	5	6	C=C(C)CN(CC)Cc1cn(C)nc1[N+](=O)[O-]
365630629	ZINC000274347491	mid	4.59	-37.2	1	279.38	1.805	2	3	6	COCc1cccc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)c1
365630630	ZINC000274347491	mid	4.47	-36.54	1	279.38	1.805	2	3	6	COCc1cccc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)c1
365630634	ZINC000274344460	ref	2.06	-5.59	0	269.32	1.154	1	5	4	CCc1ncnc(N2CCOC[C@@H]2C[C@H](C)O)c1F
365630646	ZINC000274345649	ref	3.98	-14.48	0	263.309	1.933	1	2	6	CCc1ccc(CS(=O)(=O)NCC(F)F)cc1
365630654	ZINC000274345649	mid	3.6	-42.69	-1	263.309	1.933	0	2	6	CCc1ccc(CS(=O)(=O)[N-]CC(F)F)cc1
365630663	ZINC000274346771	ref	4.24	-17.37	0	286.291	1.057	1	5	4	O=C(Nc1cncnc1)[C@@H]1CC(=O)N(Cc2ccco2)C1
342594420	ZINC000616961281	ref	3.64	-16.17	0	264.369	1.598	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
342594421	ZINC000616960957	ref	3.25	-15.65	0	252.358	1.598	2	2	3	CC1(C)CCC[C@H](CC(=O)N[C@H]2CCNC2=O)C1
365630673	ZINC000274348472	ref	2.07	-9.78	0	296.392	1.505	2	4	3	Nc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)c1
342594422	ZINC000616961249	ref	2.95	-19.08	0	271.32	1.105	3	2	4	O=C(CCc1ccc2[nH]ccc2c1)N[C@H]1CCNC1=O
190493094	ZINC000269415962	ref	6.93	-14.96	0	299.37	3.079	2	3	6	C[C@H](NC(=O)COc1ccccc1O)[C@H](C)c1ccccc1
365630682	ZINC000274347169	ref	3.81	-11.93	0	255.339	1.561	1	3	5	CCC(=O)CNS(=O)(=O)c1cc(C)ccc1C
365630691	ZINC000274347945	ref	7.88	-18.2	0	284.279	1.616	1	7	4	N#Cc1ccc([N+](=O)[O-])c(NCc2nnc3n2CCC3)c1
365630698	ZINC000274348208	ref	4.43	-7.87	0	281.356	1.057	0	6	7	CCOC(=O)[C@H]1CCCN1Cc1cnn(CCOC)c1
365630708	ZINC000274348208	low	6.86	-40.52	1	281.356	1.057	1	5	7	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(CCOC)c1
365630715	ZINC000274348208	low	6.53	-37.26	1	281.356	1.057	1	5	7	CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnn(CCOC)c1
349534209	ZINC000602429279	mid	8.17	-44.15	1	238.291	1.726	1	4	6	C=C(C)C[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-]
342594423	ZINC000616961100	ref	2.83	-19.96	0	288.347	1.199	2	3	3	O=C(N[C@@H]1CCNC1=O)c1cccc([C@@H]2CCCOC2)c1
168365931	ZINC000033961360	ref	-1.39	-114.8	2	88.154	-0.319	2	0	1	C[C@@H]([NH3+])[C@@H](C)[NH3+]
342594424	ZINC000616960862	ref	1.85	-20.05	0	262.309	1.134	3	3	3	CC(C)c1ccc(C(=O)N[C@@H]2CCNC2=O)c(O)c1
365630721	ZINC000274346972	ref	2.9	-44.75	1	283.368	1.551	2	4	12	COCCOCCOCCC[NH2+]Cc1ccccc1O
214182103	ZINC000278481932	ref	8.72	-12.63	0	311.385	2.427	1	4	4	C[C@@H]1COCC[C@@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1
136229020	ZINC000292820241	ref	2.85	-10.33	0	233.054	1.157	0	4	3	C#CCOCn1ncc(Cl)c(Cl)c1=O
214182104	ZINC000278481932	low	9.24	-40.98	1	311.385	2.427	1	3	4	C[C@@H]1COCC[C@@H]1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1
342087367	ZINC000625367520	mid	0.75	-6.67	0	253.317	1.309	2	3	3	Cc1ccc(CN2CC[C@@H](CO)[C@@H](O)C2)cc1F
343993537	ZINC000248506343	ref	5.21	-42.09	1	297.443	1.663	3	2	5	CC[C@H]1CN(C(=O)NCC2(C)CCC2)CC[N@@H+]1C[C@H](C)O
214182107	ZINC000278480472	ref	-0.68	-14.08	0	313.375	1.137	2	5	2	CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2c(O)cccc2O)C1
214182109	ZINC000278480472	high	0.09	-49.26	-1	313.375	1.137	1	5	2	CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2c([O-])cccc2O)C1
342087368	ZINC000625366918	ref	0.92	-11.86	0	268.744	1.756	2	3	2	C[C@@H]1C(=O)NCCCN1Cc1cc(O)ccc1Cl
349534206	ZINC000093235941	ref	4.35	-8.81	0	259.317	0.624	2	7	4	C[C@@H](c1cccnc1)N(C)Cc1nc(N)nc(N)n1
342087369	ZINC000625366918	low	2.93	-40.45	1	268.744	1.756	3	2	2	C[C@@H]1C(=O)NCCC[N@H+]1Cc1cc(O)ccc1Cl
214182112	ZINC000278480716	ref	6.36	-17.33	0	301.39	2.089	1	4	7	CCN(CCCO)C(=O)Cn1cc(-c2ccccc2)c(C)n1
214182114	ZINC000278480742	ref	7.92	-9.53	0	309.362	3.146	0	5	7	COC[C@H](OC(=O)CCc1ccc(F)cc1)c1nccs1
342087370	ZINC000625366918	low	2.79	-40.56	1	268.744	1.756	3	2	2	C[C@@H]1C(=O)NCCC[N@@H+]1Cc1cc(O)ccc1Cl
214182117	ZINC000278482397	ref	3.6	-13.37	0	323.389	1.8	2	5	8	COc1cc(C=O)ccc1OCCC(=O)N[C@H](CO)C(C)(C)C
290622242	ZINC000430014536	ref	0.44	-18.29	0	319.427	-0.202	1	4	3	CNC(=O)[C@]1(C)CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)C1
214182121	ZINC000278481834	ref	3.88	-10.0	0	321.768	1.251	0	6	2	Cn1cc([C@@]2(C)CN(C(=O)c3cnc(Cl)cn3)CCO2)cn1
342087371	ZINC000625366918	high	1.86	-44.84	-1	268.744	1.756	1	3	2	C[C@@H]1C(=O)NCCCN1Cc1cc([O-])ccc1Cl
342087372	ZINC000625366900	ref	2.37	-17.86	0	276.311	1.945	2	3	3	C[C@@H]1C[C@H](O)CN1CC(=O)c1c[nH]c2ccc(F)cc12
282121722	ZINC000332606714	ref	2.5	-19.01	0	323.397	0.083	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](CO)OC(C)(C)C1)CC2
342087373	ZINC000625366900	mid	4.62	-47.51	1	276.311	1.945	3	2	3	C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
349534210	ZINC000093254929	ref	1.63	-63.16	1	278.418	0.643	1	3	8	CC[C@@H](C)CN(CC)C(=O)[C@H]([NH3+])CCS(C)(=O)=O
343994920	ZINC000599275006	high	3.19	-44.41	-1	274.292	1.855	0	3	5	Cc1ccc(S(=O)(=O)[N-]CCCC#N)c(F)c1F
365630636	ZINC000576583432	ref	4.4	-34.01	1	249.358	2.544	1	3	4	COc1ccnc(C[NH2+][C@H]2CCCCC2(C)C)n1
432002719	ZINC000129263799	ref	9.47	-14.23	0	322.38	3.188	0	3	4	CN(C(=O)CN(C(=O)OC(C)(C)C)C1CC1)c1ccccc1F
349534207	ZINC000594966925	ref	6.76	-9.32	0	268.364	2.625	1	4	4	Cc1cc(CNC(C)(C)c2cccc(C#N)c2)nn1C
342594425	ZINC000616960862	high	2.86	-71.05	-1	262.309	1.134	2	3	3	CC(C)c1ccc(C(=O)N[C@@H]2CCNC2=O)c([O-])c1
349534211	ZINC000594966925	mid	7.86	-44.32	1	268.364	2.625	1	3	4	Cc1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1C
342594426	ZINC000616961121	ref	2.06	-17.61	0	274.654	1.237	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(F)c(Cl)cc1F
190493098	ZINC000269416101	ref	0.41	-19.07	0	262.265	-0.359	3	4	3	O=C1CC[C@@H](NC(=O)[C@H](O)c2ccccc2)C(=O)N1
230723078	ZINC000414268121	ref	6.61	-14.6	0	313.438	3.186	1	2	5	C[C@H](NC(=O)[C@H](C)[S@](=O)CC(C)(C)C)c1ccc(F)cc1
290622241	ZINC000492520437	ref	1.72	-19.11	0	293.367	2.282	1	5	6	CC(C)c1nnc(/C=C\C(=O)NCC[C@@H]2CCCCO2)o1
365630642	ZINC000576583432	mid	3.53	-4.18	0	249.358	2.544	1	4	4	COc1ccnc(CN[C@H]2CCCCC2(C)C)n1
349534216	ZINC000594967918	ref	9.01	-23.82	1	262.353	2.562	1	3	5	CCc1ccc(C)[nH+]c1N[C@H](C)[C@H]1C[C@H]1C(=O)OC
365630647	ZINC000576582024	ref	6.31	-85.33	2	225.336	0.291	2	1	7	CN(CC[N@H+](C)C1CC1)C(=O)C[NH2+]C1CC1
365630657	ZINC000576582024	mid	6.3	-85.66	2	225.336	0.291	2	1	7	CN(CC[N@@H+](C)C1CC1)C(=O)C[NH2+]C1CC1
365630665	ZINC000576583431	ref	4.39	-34.03	1	249.358	2.544	1	3	4	COc1ccnc(C[NH2+][C@@H]2CCCCC2(C)C)n1
342594427	ZINC000616961258	ref	3.75	-17.33	0	290.363	1.584	2	3	6	CC(C)c1ccccc1OCCC(=O)N[C@@H]1CCNC1=O
342594428	ZINC000616960746	ref	3.22	-17.54	0	290.367	1.35	2	4	5	CC[C@@H](C)n1ncc(C(=O)N[C@@H]2CCNC2=O)c1C1CC1
342594429	ZINC000616961337	ref	4.14	-17.86	0	258.321	1.185	2	2	4	O=C1NCC[C@@H]1NC(=O)[C@@H](c1ccccc1)C1CC1
349534220	ZINC000594967918	mid	8.71	-9.28	0	262.353	2.562	1	4	5	CCc1ccc(C)nc1N[C@H](C)[C@H]1C[C@H]1C(=O)OC
230723096	ZINC000414267559	ref	6.21	-15.48	0	311.447	3.209	1	3	7	CCOc1ccccc1NC(=O)CC[S@@](=O)CC(C)(C)C
365630670	ZINC000576583431	mid	3.38	-4.35	0	249.358	2.544	1	4	4	COc1ccnc(CN[C@@H]2CCCCC2(C)C)n1
342594430	ZINC000616961135	ref	2.44	-17.89	0	291.738	1.748	3	2	2	Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCNC1=O
342594431	ZINC000616961134	ref	2.44	-22.17	0	291.738	1.748	3	2	2	Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCNC1=O
365630645	ZINC000625062194	ref	3.99	-11.22	0	319.467	2.024	0	4	6	CCOC1(CS(=O)(=O)N2CC[C@@](C)(CC)C2)CCOCC1
365630652	ZINC000625059480	ref	4.99	-14.99	0	320.842	2.008	0	4	4	CN(Cc1cc(Cl)cn1C)S(=O)(=O)[C@@H]1COC(C)(C)C1
365630661	ZINC000625059969	ref	5.55	-12.62	0	320.433	2.311	1	4	6	CCN(CC(=O)NCC(C)(C)C)C[C@@H]1COc2ccccc2O1
282121723	ZINC000151628845	ref	3.49	-12.51	0	322.405	2.035	2	4	9	COCCOCCCNC(=O)N[C@H]1CCc2c(OC)cccc21
365630668	ZINC000625059969	mid	7.93	-43.35	1	320.433	2.311	2	3	6	CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1COc2ccccc2O1
365630675	ZINC000625059969	mid	7.94	-42.39	1	320.433	2.311	2	3	6	CC[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1COc2ccccc2O1
365630680	ZINC000625060185	ref	3.81	-11.12	0	319.467	2.07	1	4	7	CCOC1(CS(=O)(=O)N[C@@H]2CCC[C@@H]2CC)CCOCC1
365630687	ZINC000625059030	ref	3.9	-8.34	0	319.336	2.12	1	5	3	Cc1nc(C(C)(C)NC(=O)[C@H]2COc3cc(F)ccc3C2)no1
365630694	ZINC000625059476	ref	5.82	-12.99	0	322.453	2.383	1	6	5	CC(C)Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](CO)C[C@H]1C
230723100	ZINC000450364311	ref	0.5	-13.73	0	317.48	1.002	0	6	5	Cc1ncc(CN2CCN(C[C@@H](C)S(C)(=O)=O)CC2)s1
365630699	ZINC000625060186	ref	6.67	-44.13	1	309.406	2.331	1	4	8	COc1ccc(C[N@H+](C)CCOC2CCOCC2)cc1OC
282121734	ZINC000151628728	ref	3.35	-9.73	0	315.2	2.167	1	3	2	NC(=O)[C@@H]1CN([C@H]2CCc3c(Cl)cc(Cl)cc32)CCO1
282121738	ZINC000151631642	ref	5.54	-13.47	0	322.792	2.287	2	4	6	Cc1noc(Cl)c1CC(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1
282121745	ZINC000151631487	ref	5.07	-11.97	0	322.792	2.287	2	4	6	Cc1noc(Cl)c1CC(=O)N[C@@H](C)[C@H](O)Cc1ccccc1
282121769	ZINC000151636296	ref	6.59	-14.45	0	301.427	2.234	0	4	7	CCOCCO[C@H](C)C(=O)N1CCC(OC(C)(C)C)CC1
178299333	ZINC000237132526	high	1.73	-12.78	0	361.467	1.344	3	4	8	CCNS(=O)(=O)c1ccc(CNC(=O)[C@H](CN)c2ccccc2)cc1
349534212	ZINC000602429279	mid	8.16	-44.86	1	238.291	1.726	1	4	6	C=C(C)C[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-]
282121783	ZINC000151628565	ref	4.9	-15.25	0	317.433	2.354	3	2	10	NC(=O)NCCCCCC(=O)NCC1(Cc2ccccc2)CC1
365630705	ZINC000625060186	mid	6.7	-43.56	1	309.406	2.331	1	4	8	COc1ccc(C[N@@H+](C)CCOC2CCOCC2)cc1OC
365630709	ZINC000625060186	high	4.35	-8.62	0	309.406	2.331	0	5	8	COc1ccc(CN(C)CCOC2CCOCC2)cc1OC
365630716	ZINC000625059968	ref	5.85	-11.92	0	320.433	2.311	1	4	6	CCN(CC(=O)NCC(C)(C)C)C[C@H]1COc2ccccc2O1
178299336	ZINC000237136391	ref	5.58	-57.13	1	373.478	1.776	2	3	6	C[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1
178299338	ZINC000237125447	ref	4.97	-12.58	0	358.467	1.762	1	5	4	CCc1ccc(C(=O)N2CCN(C(=O)c3csc(CN)n3)CC2)cc1
214182111	ZINC000337616065	ref	5.21	-12.75	0	287.356	0.718	1	5	6	CCOC(=O)C1(O)CCN(C(=O)CO[C@@H](C)CC)CC1
214182113	ZINC000337617015	ref	-0.87	-14.7	0	275.349	-0.279	3	4	10	COCCOCCNC(=O)NCCNC(=O)C(C)C
178299340	ZINC000237125447	mid	5.36	-64.68	1	358.467	1.762	1	4	4	CCc1ccc(C(=O)N2CCN(C(=O)c3csc(C[NH3+])n3)CC2)cc1
136229021	ZINC000232465823	ref	7.29	-127.96	2	230.355	1.885	2	0	3	c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)C2
136229022	ZINC000232465823	mid	6.12	-37.66	1	230.355	1.885	2	1	3	c1ccc2c(c1)CC[C@@H](NC[C@H]1CCC[NH2+]1)C2
214182116	ZINC000337615778	ref	4.83	-12.07	0	271.401	2.06	1	3	9	CCN(CCOCCO)C(=O)C1(CC(C)C)CCC1
214182119	ZINC000337618820	ref	0.57	-15.03	0	283.332	-0.284	4	6	5	Cc1cc(N(C)C)nc(NC(=O)NC[C@@](C)(O)CO)n1
214182122	ZINC000337617624	ref	6.21	-18.93	0	294.42	2.054	1	3	4	CC(C)C(=O)N[C@@H]1CCCN(C(=O)Cc2ccsc2)C1
214182125	ZINC000337616929	ref	8.12	-43.3	1	260.381	3.137	2	1	5	CC[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1
214182128	ZINC000337616929	mid	8.6	-41.35	1	260.381	3.137	2	1	5	CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1
214182131	ZINC000337618066	ref	5.06	-10.93	0	260.359	0.942	1	4	4	COC(=O)[C@H]1CCN(C(=O)NC[C@H](C)SC)C1
178299343	ZINC000237129515	ref	2.71	-55.31	1	353.488	1.493	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1
361823217	ZINC000531823025	ref	6.52	-42.95	1	276.336	1.041	2	3	4	COC(=O)c1cccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)c1
214182137	ZINC000337619759	ref	4.41	-19.71	0	271.426	2.23	1	2	3	CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CC[S@@](=O)C1
178299345	ZINC000237134161	ref	8.65	-56.24	1	361.486	1.688	1	3	8	C[NH2+]CCCC(=O)N1CCCN(C(=O)CCc2ccc(OC)cc2)CC1
259309328	ZINC000394178010	ref	4.13	-7.54	0	241.375	2.193	2	2	6	CC(C)[C@@H](CO)CNC(=O)C(C)(C)C1CCC1
361823221	ZINC000531823025	mid	6.54	-41.5	1	276.336	1.041	2	3	4	COC(=O)c1cccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1
361823228	ZINC000616604776	ref	3.76	-11.93	0	291.351	1.748	2	4	3	CCOC(=O)N1CCN[C@H](c2ccccc2NC(C)=O)C1
361823232	ZINC000616604776	low	5.0	-57.71	1	291.351	1.748	2	3	3	CCOC(=O)N1CC[NH2+][C@H](c2ccccc2NC(C)=O)C1
361823239	ZINC000616604805	ref	1.82	-11.44	0	293.348	1.01	1	5	3	O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1cnoc1
365630656	ZINC000641596793	ref	6.3	-15.51	0	293.342	1.84	1	2	3	CC(=O)N1CC[C@@H](CNC(=O)N(C)c2ccc(F)cc2)C1
365630666	ZINC000641596818	ref	2.87	-14.58	0	275.352	1.023	1	4	3	O=C([C@@H]1CCN(c2cc(CO)ccn2)C1)N1CCCC1
365630669	ZINC000641596818	low	2.95	-34.38	1	275.352	1.023	1	3	3	O=C([C@@H]1CCN(c2cc(CO)cc[nH+]2)C1)N1CCCC1
365630676	ZINC000641597120	ref	2.08	-11.23	0	289.266	1.082	1	5	2	O=C(c1noc(-c2cccc(F)c2)n1)N1C[C@H]2C[C@@]2(O)C1
365630683	ZINC000641596851	ref	4.96	-13.55	0	269.389	1.685	1	2	4	CCC(C)(C)N(C)C(=O)NC[C@H]1CCN(C(C)=O)C1
365630689	ZINC000641597037	ref	3.43	-16.25	0	296.392	1.142	1	3	4	CC(=O)N1CC[C@@H](CNS(=O)(=O)c2cccc(C)c2)C1
365630696	ZINC000641596035	ref	2.74	-10.5	0	281.381	1.271	1	3	5	C[C@@H]1CCN(S(=O)(=O)NC/C=C\c2cccnc2)C1
365630703	ZINC000641596820	ref	5.5	-14.39	0	267.373	1.439	1	2	3	CC(=O)N1CC[C@H](CNC(=O)N(C)C2CCCC2)C1
219047746	ZINC000097681676	mid	6.67	-49.23	1	341.411	1.268	3	3	3	O=C(c1ccc[nH]1)N1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@@H](O)C1
365630711	ZINC000641596992	ref	5.07	-14.14	0	255.362	1.295	1	2	4	CCN(C(=O)NC[C@@H]1CCN(C(C)=O)C1)C(C)C
342594432	ZINC000616960812	ref	4.42	-17.72	0	278.327	1.57	2	2	4	CC(C)[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1
365630719	ZINC000641597095	ref	2.91	-12.34	0	291.347	1.309	1	4	6	COCCCOc1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
342594433	ZINC000616961105	ref	2.6	-16.97	0	297.152	1.376	2	2	2	Cc1cc(C(=O)N[C@H]2CCNC2=O)ccc1Br
342594434	ZINC000616960823	ref	3.14	-19.98	0	298.346	1.312	3	3	3	Cc1cccc(-c2nc(C)c(C(=O)N[C@H]3CCNC3=O)[nH]2)c1
365630728	ZINC000641596936	ref	3.43	-16.8	0	290.429	1.21	1	3	7	CCC[C@@H](C)CS(=O)(=O)NC[C@@H]1CCN(C(C)=O)C1
365630735	ZINC000641596691	ref	3.6	-13.92	0	253.248	1.48	1	2	1	Cc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(F)cc1F
282121724	ZINC000533466751	ref	4.33	-59.96	1	286.335	1.263	2	5	7	OC[C@H](C[NH2+]Cc1cnc2cnccn12)Cc1ccco1
282121729	ZINC000533466751	high	2.96	-12.61	0	286.335	1.263	2	6	7	OC[C@H](CNCc1cnc2cnccn12)Cc1ccco1
342594435	ZINC000616960786	ref	0.19	-56.23	-1	289.118	1.317	2	3	2	O=C(N[C@@H]1CCNC1=O)c1c([O-])cc(Cl)cc1Cl
259309329	ZINC000323021600	ref	4.58	-33.99	1	240.372	2.232	2	2	5	CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1csc(C)c1
168365934	ZINC000033961360	mid	-1.97	-37.24	1	88.154	-0.319	2	1	1	C[C@@H](N)[C@@H](C)[NH3+]
365630739	ZINC000641596743	ref	3.9	-4.85	0	280.343	1.977	1	4	2	C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1ccncc1F
398248046	ZINC000649442546	ref	3.85	-8.27	0	203.245	1.799	0	4	2	COc1cncc(-c2cn(C)nc2C)c1
342087374	ZINC000625366900	mid	4.94	-49.65	1	276.311	1.945	3	2	3	C[C@@H]1C[C@H](O)C[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
282121727	ZINC000336688203	ref	5.3	-36.32	1	251.374	0.633	1	2	4	C[NH+](C)C[C@@H]1CCN([C@H]2CCN(C3CC3)C2=O)C1
214182120	ZINC000053416674	ref	6.08	-12.61	0	331.441	2.228	1	4	5	Cc1cc(SCC(=O)N[C@H](C)C(=O)N(C)C)nc2ccccc12
214182126	ZINC000053424418	ref	3.32	-9.69	0	345.465	1.413	0	6	6	Cc1noc(C)c1S(=O)(=O)N1CCCN(CCOC(C)C)CC1
342087375	ZINC000625363996	ref	3.93	-7.71	0	298.427	1.55	2	3	7	CCCN(CCO)C(=O)C(=O)NCC[C@@H]1CCCC1(C)C
342087376	ZINC000625363922	ref	0.22	-9.25	0	264.716	1.722	2	4	2	Oc1ccc(Cl)c(CN2CCc3nn[nH]c3C2)c1
214182130	ZINC000053424418	mid	5.46	-42.84	1	345.465	1.413	1	5	6	Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCOC(C)C)CC1
214182132	ZINC000053424418	mid	5.37	-44.32	1	345.465	1.413	1	5	6	Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCOC(C)C)CC1
214182135	ZINC000053417236	ref	6.72	-15.66	0	347.444	1.167	1	6	6	C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1C)C(=O)N(C)C
214182139	ZINC000053433854	ref	4.94	-11.03	0	343.431	0.812	1	5	3	Cc1ccc2nc(CN3CCN(C(=O)C(=O)NC(C)C)CC3)cn2c1
214182142	ZINC000053433854	low	5.28	-29.97	1	343.431	0.812	1	4	3	Cc1ccc2[nH+]c(CN3CCN(C(=O)C(=O)NC(C)C)CC3)cn2c1
214182147	ZINC000053439886	ref	8.53	-15.78	0	343.427	3.091	1	5	7	COc1cc(CNC(=O)[C@H](C)n2ccnc2)ccc1OC1CCCC1
214182153	ZINC000053439886	low	9.36	-40.09	1	343.427	3.091	1	4	7	COc1cc(CNC(=O)[C@H](C)n2cc[nH+]c2)ccc1OC1CCCC1
214182155	ZINC000053429365	ref	7.43	-39.54	1	345.35	4.111	1	2	6	C[C@H]1CCCC[C@H]1[NH2+]CCN(C)Cc1cc(Br)cs1
214182158	ZINC000053434478	ref	3.8	-12.78	0	330.331	3.14	2	4	5	C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(OC(F)F)c1
214182161	ZINC000053417964	ref	9.46	-17.63	0	344.44	2.271	0	6	7	CCN(CCC#N)C(=O)CSc1nc2ccccc2c(=O)n1CC
214182166	ZINC000053419883	ref	7.27	-48.7	1	333.384	2.328	2	5	9	CCOC(=O)c1cccc(OC[C@H](O)C[N@H+](C)Cc2ccco2)c1
342087377	ZINC000625363922	mid	0.22	-8.03	0	264.716	1.722	2	4	2	Oc1ccc(Cl)c(CN2CCc3n[nH]nc3C2)c1
342087378	ZINC000625363922	high	0.99	-41.96	-1	264.716	1.722	1	4	2	[O-]c1ccc(Cl)c(CN2CCc3nn[nH]c3C2)c1
342087379	ZINC000625363915	ref	3.83	-8.11	0	294.351	1.171	1	4	5	CN(Cc1ccco1)C(=O)C(=O)NCC[C@H]1CCCOC1
342087380	ZINC000625366825	ref	3.42	-12.14	0	273.398	1.689	1	3	7	O=S(=O)(CCC[C@H]1CCOC1)NCC1CC=CC1
342594436	ZINC000616960786	mid	-0.58	-14.72	0	289.118	1.317	3	3	2	O=C(N[C@@H]1CCNC1=O)c1c(O)cc(Cl)cc1Cl
365630659	ZINC000172878934	ref	2.82	-11.99	0	266.297	1.03	2	5	6	CCOC(=O)CNc1cc(C(=O)NC)ccc1OC
197590811	ZINC000162782121	ref	5.91	-14.83	0	303.374	2.398	0	3	4	C[C@H](CN1CCCc2cc(F)cc(F)c21)CS(C)(=O)=O
398248047	ZINC000651457470	ref	5.36	-5.36	0	290.285	3.207	1	4	7	C[C@H](COCC1CC1)Nc1ccc(OC(F)(F)F)cn1
282121730	ZINC000248967030	high	1.56	-11.69	0	304.456	1.348	1	4	6	C[C@@H]1OCC[C@H]1S(=O)(=O)NCC[C@H](C)N1CCCCC1
342594437	ZINC000616960811	ref	4.26	-18.11	0	278.327	1.57	2	2	4	CC(C)[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1
365630667	ZINC000172880484	ref	1.67	-46.09	-1	299.396	1.268	1	4	5	C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1ncc[n-]1
365630674	ZINC000172880484	mid	2.15	-19.78	0	299.396	1.268	2	4	5	C[C@H](C(=O)NCC1CCCCC1)S(=O)(=O)c1ncc[nH]1
365630681	ZINC000172876829	ref	1.28	-20.67	0	285.39	1.839	1	5	5	C[C@@H](CO)CS(=O)(=O)Cc1nc2ccccc2s1
365630690	ZINC000172879169	ref	2.38	-9.92	0	289.335	1.584	0	6	5	COC[C@@H]1CN(Cc2nc(-c3ccccc3)no2)CCO1
365630695	ZINC000172879562	ref	2.24	-9.36	0	298.408	1.272	1	5	6	COC[C@@H]1CN(CC(=O)N[C@@H](C)c2cccs2)CCO1
197590820	ZINC000162779877	ref	8.8	-26.11	0	309.37	1.42	1	6	3	CN(CC(=O)Nc1nnc2n1CCCC2)C(=O)OC(C)(C)C
342594438	ZINC000616960914	ref	4.55	-18.48	0	292.766	1.667	2	2	4	O=C1NCC[C@H]1NC(=O)C1(Cc2ccc(Cl)cc2)CC1
365630706	ZINC000172879598	ref	4.61	-11.21	0	292.335	1.134	1	5	5	CCOC(=O)CNc1ccc(C(=O)N2CCOCC2)cc1
230723124	ZINC000414267618	ref	4.34	-20.01	0	323.336	3.073	1	3	7	CCCC[S@@](=O)CC(=O)Nc1ccc(OC(F)(F)F)cc1
398248049	ZINC000651458119	ref	9.1	-7.79	0	271.364	3.165	1	4	6	Cc1cccc2ncnc(N[C@@H](C)COCC3CC3)c12
342594439	ZINC000616961259	ref	3.75	-17.33	0	290.363	1.584	2	3	6	CC(C)c1ccccc1OCCC(=O)N[C@H]1CCNC1=O
342594440	ZINC000616961122	ref	3.88	-17.14	0	278.739	1.374	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@H]1CCc2c(Cl)cccc21
197590828	ZINC000162786582	ref	5.17	-16.64	0	312.167	1.569	1	3	2	Cc1cnc(NC(=O)[C@H]2CC(=O)N(C)C2)c(Br)c1
342594441	ZINC000616961128	ref	3.67	-17.31	0	278.739	1.374	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCc2c(Cl)cccc21
342594442	ZINC000616960870	ref	3.28	-16.68	0	290.363	1.584	2	3	6	CC[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(OC)cc1
365630714	ZINC000172877127	ref	6.19	-14.81	0	259.313	1.502	1	5	5	CC[C@H](NC(=O)[C@H](C)n1cncn1)c1ccncc1
365630702	ZINC000617412891	mid	1.46	-53.72	1	256.35	0.035	4	2	6	C[N@H+]1CCC[C@H](NC(=O)CCCCNC(N)=O)C1
365630704	ZINC000617412891	high	-1.43	-17.57	0	256.35	0.035	3	3	6	CN1CCC[C@H](NC(=O)CCCCNC(N)=O)C1
365630710	ZINC000617411092	ref	1.31	-16.59	0	296.392	0.914	1	4	3	CN1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1
365630720	ZINC000617411092	low	4.2	-55.19	1	296.392	0.914	2	3	3	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1
185087375	ZINC000096070825	ref	7.67	-50.2	1	280.375	2.189	1	3	3	c1cncc(C[N@@H+]2CCC3(CN(c4cccnc4)C3)C2)c1
365630725	ZINC000617411092	low	3.67	-52.56	1	296.392	0.914	2	3	3	C[N@H+]1CCC[C@@H](NC(=O)c2ccc(S(C)(=O)=O)cc2)C1
365630730	ZINC000617411893	ref	2.73	-8.61	0	268.357	0.978	2	3	6	O=C(CNC(=O)CC1CCCC1)NC[C@@H]1CCCO1
365630742	ZINC000617413694	ref	5.37	-49.67	1	292.383	0.942	3	3	4	Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c(=O)[nH]1
178299348	ZINC000237126799	ref	2.96	-53.23	1	351.472	1.195	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H](C[NH3+])C2)cc1
365630748	ZINC000617413694	mid	4.85	-48.55	1	292.383	0.942	3	3	4	Cc1nc(C)c(CCC(=O)N[C@@H]2CCC[N@H+](C)C2)c(=O)[nH]1
365630753	ZINC000617413694	high	1.38	-46.96	-1	292.383	0.942	1	4	4	Cc1nc(C)c(CCC(=O)N[C@@H]2CCCN(C)C2)c(=O)[n-]1
365630761	ZINC000617415124	ref	5.84	-50.02	1	265.357	0.208	2	2	3	C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1
178299352	ZINC000237136820	ref	7.26	-92.82	2	374.529	1.031	2	3	9	C[N@H+](CCN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1)Cc1ccccc1
365630766	ZINC000617415124	mid	5.32	-48.07	1	265.357	0.208	2	2	3	C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1
178299355	ZINC000237136820	mid	7.25	-92.84	2	374.529	1.031	2	3	9	C[N@@H+](CCN1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1)Cc1ccccc1
178299360	ZINC000237134699	ref	4.96	-52.3	1	369.469	1.859	3	5	8	COc1ccccc1Nc1ncccc1C(=O)NCCCN1CC[NH2+]CC1
365630769	ZINC000617415124	high	2.96	-11.59	0	265.357	0.208	1	3	3	CN1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)C1
365630777	ZINC000617413260	ref	5.72	-42.39	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1
365630785	ZINC000617413260	mid	5.18	-42.26	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1
365630790	ZINC000617413260	high	2.83	-11.29	0	267.373	0.455	1	3	2	CC(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(C)C2)C1
365630795	ZINC000617413622	ref	5.42	-40.72	1	292.364	0.58	2	5	2	C[N@@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)C1
365630717	ZINC000336548175	mid	6.84	-7.92	0	293.436	2.036	0	4	1	Cc1nc2c(s1)CCC[C@@H]2C(=O)N1CCCN(C)CC1
365630723	ZINC000336548421	ref	4.67	-11.72	0	254.289	2.094	1	3	2	Cc1cc(NC(=O)c2ccc3c(c2)COC3)ccn1
365630731	ZINC000336548421	low	5.09	-37.74	1	254.289	2.094	1	2	2	Cc1cc(NC(=O)c2ccc3c(c2)COC3)cc[nH+]1
365630737	ZINC000336549102	ref	5.23	-7.01	0	253.371	2.363	0	4	3	CCc1nnsc1C(=O)N1CC[C@](C)(CC)C1
365630746	ZINC000336548648	ref	7.91	-47.68	1	273.38	2.329	2	1	1	Cc1ccc(NC(=O)N2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1C
365630755	ZINC000336548648	mid	7.9	-47.77	1	273.38	2.329	2	1	1	Cc1ccc(NC(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1C
365630760	ZINC000336548816	ref	4.99	-10.66	0	289.441	2.255	0	3	4	CC1(C)CCCN(S(=O)(=O)CCC2CCOCC2)C1
136229023	ZINC000292807063	ref	2.76	-8.63	0	214.265	0.926	1	3	6	C=CCCOCCNC(=O)N1CCCO1
365630767	ZINC000336548243	ref	5.84	-9.66	0	275.348	2.352	1	3	3	CC(=O)c1cc(C(=O)N[C@H]2CCOC[C@@H]2C)ccc1C
136229024	ZINC000232473246	ref	5.49	-34.69	1	216.328	2.016	2	1	3	c1ccc2c(c1)CC[C@H]2NC[C@@H]1CCC[NH2+]1
349534213	ZINC000093254929	mid	1.33	-16.9	0	278.418	0.643	1	4	8	CC[C@@H](C)CN(CC)C(=O)[C@H](N)CCS(C)(=O)=O
342087381	ZINC000625367033	ref	4.24	-10.78	0	283.416	1.093	1	3	5	CCCN1CCCN(CC(=O)NCC(C)(C)C)CC1=O
230744752	ZINC000414369395	ref	5.19	-10.56	0	313.401	3.139	0	5	5	COc1ccc([C@@H]2CCCN2Cc2ccc(C)nn2)cc1OC
230744754	ZINC000414369395	mid	7.54	-41.23	1	313.401	3.139	1	4	5	COc1ccc([C@@H]2CCC[N@@H+]2Cc2ccc(C)nn2)cc1OC
230744756	ZINC000414369395	mid	8.06	-45.3	1	313.401	3.139	1	4	5	COc1ccc([C@@H]2CCC[N@H+]2Cc2ccc(C)nn2)cc1OC
349534217	ZINC000093228763	ref	5.99	-55.43	-1	268.269	0.771	1	7	8	CCOC(=O)c1cccnc1NCCOCC(=O)[O-]
230744759	ZINC000414370625	ref	8.79	-12.32	0	322.792	3.448	0	3	4	CCOc1ccc(Cl)c(N2C(=O)[C@@H](C)N(C3CCC3)C2=O)c1
190493105	ZINC000269419158	ref	6.75	-18.55	0	291.303	1.583	0	5	3	COC(=O)C[C@@H]1CCCN1C(=O)c1ccc2c(c1)OCO2
398248048	ZINC000649442312	ref	8.0	-6.34	0	214.312	3.321	0	2	1	Cc1cc(C)c(-c2cn(C)nc2C)cc1C
192037540	ZINC000418463949	ref	1.2	-38.15	1	245.367	1.228	3	2	8	CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)COC
342087382	ZINC000625367033	low	6.63	-51.56	1	283.416	1.093	2	2	5	CCCN1CCC[N@H+](CC(=O)NCC(C)(C)C)CC1=O
342087383	ZINC000625367033	low	6.62	-51.5	1	283.416	1.093	2	2	5	CCCN1CCC[N@@H+](CC(=O)NCC(C)(C)C)CC1=O
398249411	ZINC000369132071	high	4.52	-9.24	0	236.395	1.125	1	4	2	C[Si](C)(C)CN1CCc2nnc(N)cc2C1
342087384	ZINC000625367066	ref	4.65	-10.03	0	273.398	1.687	1	3	8	CCO[C@@H](CS(=O)(=O)NCC1CC=CC1)C1CC1
214182127	ZINC000278481892	ref	4.65	-10.48	0	315.316	2.451	1	4	5	COc1cc(C(=O)N[C@H]2CCOC[C@H]2C)ccc1OC(F)F
214182129	ZINC000278480234	ref	3.76	-19.51	0	320.414	1.965	2	3	4	C[C@H](CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12
214182133	ZINC000278480480	ref	6.71	-19.46	0	317.433	2.871	2	2	5	CC(C)NC(=O)CCNC(=O)N1C[C@H](C(C)C)c2ccccc21
214182136	ZINC000278481139	ref	8.98	-13.11	0	324.388	1.851	1	7	4	Cn1ncc2c(N)nc(N3CC[C@@H](COc4ccccc4)C3)nc21
214182138	ZINC000278481139	low	9.42	-35.29	1	324.388	1.851	1	6	4	Cn1ncc2c(N)[nH+]c(N3CC[C@@H](COc4ccccc4)C3)nc21
365630718	ZINC000643091722	ref	2.32	-9.59	0	278.352	1.967	3	3	3	C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N[C@@H](C)C(C)(C)O
342087385	ZINC000625367523	ref	2.78	-44.52	1	253.317	1.309	3	2	3	Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@H](O)C2)cc1F
214182140	ZINC000278482643	ref	6.25	-4.06	0	315.504	3.28	0	5	8	COCCSCCCN1C[C@@H](C)O[C@H](c2ccsc2)C1
214182141	ZINC000278482643	mid	8.34	-40.57	1	315.504	3.28	1	4	8	COCCSCCC[N@@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1
342087386	ZINC000625367523	mid	3.19	-42.52	1	253.317	1.309	3	2	3	Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1F
342087387	ZINC000625367523	mid	0.93	-6.99	0	253.317	1.309	2	3	3	Cc1ccc(CN2CC[C@H](CO)[C@H](O)C2)cc1F
214182144	ZINC000278482643	mid	8.14	-42.11	1	315.504	3.28	1	4	8	COCCSCCC[N@H+]1C[C@@H](C)O[C@H](c2ccsc2)C1
214182146	ZINC000278482246	ref	5.3	-55.39	1	323.412	1.478	1	3	7	CCOc1ccc(C[NH2+]CCC(=O)N2CCN(C)CC2)cc1F
214182149	ZINC000278482246	mid	7.66	-108.76	2	323.412	1.478	2	2	7	CCOc1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1F
214182150	ZINC000278482246	high	3.95	-11.43	0	323.412	1.478	1	4	7	CCOc1ccc(CNCCC(=O)N2CCN(C)CC2)cc1F
214182152	ZINC000278482514	ref	5.89	-21.41	0	322.405	1.284	1	5	6	Cc1ccc(CNC(=O)[C@@H](C)OC[C@H]2CCCCO2)c(=O)n1C
214182154	ZINC000278480601	ref	9.57	-50.25	1	305.422	2.897	1	3	6	Fc1ccc(-n2ccc(CC[NH2+]C[C@@H]3CCSC3)n2)cc1
214182156	ZINC000278482389	ref	5.0	-25.91	0	313.357	2.174	1	4	3	Cc1cnccc1OC1CCN(C(=O)c2ccc[nH]c2=O)CC1
349534215	ZINC000602428962	ref	6.91	-34.54	1	243.347	1.829	1	3	6	CCC[C@@H](C[N@@H+]1CCCC[C@@H]1C(=O)OC)OC
342087388	ZINC000625366728	ref	0.2	-7.93	0	273.283	1.539	1	5	3	O[C@@H]1CN(Cc2noc(C3CCC3)n2)CC(F)(F)C1
365630722	ZINC000625059968	mid	7.85	-43.74	1	320.433	2.311	2	3	6	CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1COc2ccccc2O1
365630727	ZINC000625059968	mid	7.63	-42.7	1	320.433	2.311	2	3	6	CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1COc2ccccc2O1
365630732	ZINC000625060145	ref	3.11	-8.78	0	319.467	2.069	1	4	5	CC1(C)C[C@@H](S(=O)(=O)NCC(C)(C)[C@H]2CCCCO2)CO1
365630740	ZINC000625059755	ref	7.66	-11.64	0	310.463	2.383	1	3	2	CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O)[C@H]1CCCC12CC2
365630747	ZINC000625059964	ref	8.2	-10.33	0	313.405	2.365	0	6	4	CC(C)Cn1c(-c2ccccn2)nnc1N1CC2(CCCO2)C1
365630754	ZINC000625060131	ref	4.14	-13.11	0	319.373	2.367	1	3	5	Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@H]2CCOC2)c(F)c1F
178299362	ZINC000237135959	ref	3.93	-58.88	1	353.488	1.783	2	3	9	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCCCCC[NH3+])CC2
365630758	ZINC000625060131	high	4.06	-45.3	-1	319.373	2.367	0	3	5	Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@H]2CCOC2)c(F)c1F
290622243	ZINC000492520619	ref	7.67	-24.76	0	284.275	2.345	1	5	4	Cc1nccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])n1
178299365	ZINC000237127591	ref	4.02	-47.0	1	351.472	1.796	2	3	4	CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1
290622245	ZINC000492521017	ref	5.52	-12.23	0	260.337	2.362	0	3	3	COc1cncc(/C=C\C(=O)N2CCC(C)(C)C2)c1
290622246	ZINC000492520901	ref	2.67	-11.57	0	274.345	2.487	2	4	4	Cc1ccsc1CNC(=O)/C=C\c1cncc(O)c1
290622248	ZINC000492520901	high	3.43	-53.78	-1	274.345	2.487	1	4	4	Cc1ccsc1CNC(=O)/C=C\c1cncc([O-])c1
343993543	ZINC000248506343	mid	5.45	-43.9	1	297.443	1.663	3	2	5	CC[C@H]1CN(C(=O)NCC2(C)CCC2)CC[N@H+]1C[C@H](C)O
343993546	ZINC000248506343	mid	3.01	-7.68	0	297.443	1.663	2	3	5	CC[C@H]1CN(C(=O)NCC2(C)CCC2)CCN1C[C@H](C)O
343993548	ZINC000599270856	ref	4.06	-9.15	0	282.296	1.097	0	6	6	COC(=O)[C@H](C)CN(C(=O)c1coc(OC)n1)C1CC1
365630762	ZINC000625060661	ref	5.22	-13.87	0	307.481	2.007	1	4	8	CCO[C@@H](CS(=O)(=O)NC[C@@]1(C)CCCS1)C1CC1
365630771	ZINC000625059282	ref	6.23	-11.0	0	310.394	2.266	0	4	5	COCCN(Cc1ccc(C)o1)C(=O)N1C[C@H](C)O[C@H](C)C1
365630779	ZINC000625062050	ref	8.41	-17.31	0	309.373	2.349	1	5	2	Cc1cn2c(n1)C[C@H](C(=O)Nc1ccc3nc(C)cn3c1)CC2
365630783	ZINC000625062050	low	8.85	-36.02	1	309.373	2.349	1	4	2	Cc1cn2c(n1)C[C@H](C(=O)Nc1ccc3[nH+]c(C)cn3c1)CC2
136229025	ZINC000232473246	low	6.75	-124.0	2	216.328	2.016	2	0	3	c1ccc2c(c1)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1
365630724	ZINC000172877602	ref	2.93	-23.46	0	282.365	1.186	1	5	5	Cc1cccn2cc(CS(=O)(=O)C[C@@H](C)CO)nc12
365630726	ZINC000172877602	low	3.37	-40.09	1	282.365	1.186	1	4	5	Cc1cccn2cc(CS(=O)(=O)C[C@@H](C)CO)[nH+]c12
365630733	ZINC000172876598	ref	4.09	-7.06	0	283.343	1.942	0	4	7	COC[C@H]1CN(CCCOc2ccc(F)cc2)CCO1
365630736	ZINC000172876598	mid	5.93	-45.29	1	283.343	1.942	1	3	7	COC[C@H]1C[N@H+](CCCOc2ccc(F)cc2)CCO1
365630743	ZINC000172876598	mid	6.36	-45.44	1	283.343	1.942	1	3	7	COC[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CCO1
178299363	ZINC000063105690	ref	5.98	-9.59	0	243.31	2.043	1	3	3	Cc1cc2ccccc2nc1NCC(=O)N(C)C
365630749	ZINC000258683187	ref	5.78	-48.67	-1	263.293	1.341	1	4	5	COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1C
365630756	ZINC000172876966	ref	5.73	-15.29	0	273.336	1.775	1	4	6	Cc1ccccc1O[C@H](C)CNC(=O)Cn1cccn1
365630765	ZINC000172879006	ref	1.23	-19.77	0	276.329	1.377	1	4	6	COc1ccc(CS(=O)(=O)C[C@H](C)CO)cc1F
178299367	ZINC000063105690	low	6.31	-30.77	1	243.31	2.043	1	2	3	Cc1cc2ccccc2[nH+]c1NCC(=O)N(C)C
230723179	ZINC000450363473	ref	7.05	-25.08	0	307.423	1.239	1	6	6	C[C@H](CC[S@](C)=O)Nc1ccc2nnc([C@@H]3C[C@H]3C)n2n1
230723181	ZINC000450366389	ref	3.86	-12.13	0	304.35	1.564	1	6	6	CNC(=O)[C@@H](C)CN(C)c1nc(-c2ccc(OC)cc2)no1
282121731	ZINC000449151499	high	4.54	-10.69	0	293.386	2.394	2	3	5	CC(C)NC(=O)[C@@H]1CCC[C@H](NCc2ccncc2F)C1
282121736	ZINC000449152013	ref	9.13	-14.87	0	296.37	2.395	0	3	4	Cc1cccc2c1O[C@@H](C(=O)N(C)CCc1ccccn1)C2
282121742	ZINC000449152191	ref	7.49	-110.61	2	290.451	2.443	3	1	7	C[C@H](O)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1
282121746	ZINC000449152191	mid	5.65	-40.54	1	290.451	2.443	2	2	7	C[C@H](O)CC[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1
282121750	ZINC000449151543	ref	4.97	-46.63	1	283.375	2.137	2	2	5	Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H](C)Cc1ccncc1
365630770	ZINC000172877415	ref	2.6	-8.94	0	278.308	1.782	0	6	5	COC[C@@H]1CN(Cc2cc(-c3ccco3)on2)CCO1
365630776	ZINC000172880588	ref	0.23	-46.11	-1	299.377	1.122	1	5	5	C[C@@H](NC(=O)CS(=O)(=O)c1ncc[n-]1)c1cccs1
349534219	ZINC000602428962	mid	7.41	-34.14	1	243.347	1.829	1	3	6	CCC[C@@H](C[N@H+]1CCCC[C@@H]1C(=O)OC)OC
259309330	ZINC000323021600	high	3.7	-7.08	0	240.372	2.232	2	3	5	CNC(=O)C[C@@H](C)N[C@H](C)c1csc(C)c1
365630781	ZINC000172880588	mid	0.73	-20.62	0	299.377	1.122	2	5	5	C[C@@H](NC(=O)CS(=O)(=O)c1ncc[nH]1)c1cccs1
299072123	ZINC000567664782	ref	3.33	-8.78	0	281.377	2.269	2	4	4	COc1ccc(NC(=O)[C@@H]2CCCSC2)cc1CO
299072128	ZINC000567665229	ref	6.47	-42.42	1	250.386	2.166	1	1	2	CN(C(=O)[C@]12C[C@H]1CC[NH2+]2)C1CCC(C)(C)CC1
290622244	ZINC000335667329	ref	1.48	-20.61	0	262.375	0.43	1	3	4	CNC(=O)[C@]1(C)CCN(S(=O)(=O)CC(C)C)C1
214182148	ZINC000337619294	ref	6.31	-9.57	0	283.343	2.445	1	3	8	CC[C@H](C)OCC(=O)N[C@@H](COC)c1ccc(F)cc1
343993551	ZINC000599269826	ref	4.95	-13.41	0	293.429	1.931	1	4	9	CCOC(=O)C[C@H](C)CNS(=O)(=O)CC(C)(C)CC
136229026	ZINC000184906983	ref	6.59	-10.36	0	230.311	2.452	1	2	5	CC#CCCCC(=O)N[C@@H](C)c1ccccn1
214182151	ZINC000337619370	ref	4.87	-15.72	0	281.315	3.021	1	4	3	Cc1ccc(CC(=O)Nc2cnc3onc(C)c3c2)cc1
343993554	ZINC000599269577	ref	2.65	-8.82	0	279.34	1.264	0	6	5	CCOC1CCN(Cc2cnc(C(=O)OC)cn2)CC1
214182157	ZINC000337620321	ref	4.8	-44.89	1	266.349	0.041	2	5	8	CC[NH+](CC)CC(=O)NCc1nnnn1CC1CC1
214182162	ZINC000337620321	high	2.73	-10.7	0	266.349	0.041	1	6	8	CCN(CC)CC(=O)NCc1nnnn1CC1CC1
342087389	ZINC000625367002	ref	6.9	-42.66	1	266.385	1.498	1	2	3	COC1CC(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)C1
342087390	ZINC000625367002	high	4.75	-10.5	0	266.385	1.498	0	3	3	COC1CC(C(=O)N2CC[C@@H](N3CCCCC3)C2)C1
214182165	ZINC000337617506	ref	4.33	-47.45	1	287.31	2.36	3	2	6	C[C@H](CNC(=O)Nc1ccc(OC(F)F)cc1)[NH+](C)C
214182168	ZINC000337617506	high	2.1	-11.22	0	287.31	2.36	2	3	6	C[C@H](CNC(=O)Nc1ccc(OC(F)F)cc1)N(C)C
342087391	ZINC000609025503	ref	5.93	-13.76	0	291.311	1.466	1	6	4	Cc1nn(C)cc1[C@H](C)NC(=O)c1cc([N+](=O)[O-])cn1C
214182170	ZINC000337615631	ref	7.65	-10.51	0	263.406	3.106	1	2	3	CS[C@H](C)C(=O)N[C@@]1(C)CCCc2ccccc21
214182174	ZINC000337617738	ref	6.82	-7.23	0	253.386	3.077	1	2	5	CC(=O)CCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1
214182178	ZINC000337616242	ref	4.62	-9.3	0	254.33	0.492	0	3	5	C[C@@H]1CN(C(=O)CCOCC2CC2)CC(=O)N1C
343993556	ZINC000599269577	mid	5.0	-47.84	1	279.34	1.264	1	5	5	CCOC1CC[NH+](Cc2cnc(C(=O)OC)cn2)CC1
259309331	ZINC000323007488	ref	4.08	-13.06	0	236.319	1.536	2	4	5	CNC(=O)C[C@H](C)Nc1cc(C(C)C)ncn1
214182180	ZINC000337617683	ref	1.63	-13.81	0	253.302	0.256	1	5	7	CCN(CCOCCO)C(=O)c1cnnc(C)c1
214182184	ZINC000337616979	ref	7.47	-14.42	0	292.343	0.505	1	5	3	CCN1CN(C(=O)Nc2nc(C)cc(N(C)C)n2)CC1=O
136229027	ZINC000292815532	ref	5.72	-10.75	0	228.361	1.957	1	2	4	C=CCNC(=O)N1CCC[C@H](CSC)C1
365630734	ZINC000274346972	high	3.6	-37.8	0	283.368	1.551	1	4	12	COCCOCCOCCC[NH2+]Cc1ccccc1[O-]
365630738	ZINC000274348624	ref	3.44	-13.6	0	275.283	1.125	2	2	2	CNC(=O)C1CN(C(=O)c2cc3cc(F)ccc3[nH]2)C1
282121732	ZINC000263030403	ref	8.71	-35.86	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C)C(=O)[O-]
230723192	ZINC000425414720	ref	9.23	-39.96	1	303.402	2.446	1	3	5	COC(=O)[C@H](CC[N@@H+]1CC[C@@]2(CCOC2)C1)c1ccccc1
230723195	ZINC000425414720	mid	9.23	-39.73	1	303.402	2.446	1	3	5	COC(=O)[C@H](CC[N@H+]1CC[C@@]2(CCOC2)C1)c1ccccc1
365630745	ZINC000274346171	ref	0.54	-14.09	0	285.254	1.236	2	5	5	C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1cn[nH]c1
365630751	ZINC000274345218	ref	2.06	-12.29	0	282.25	1.977	1	5	4	Cc1cncc(NC(=O)c2cc(OC(F)F)n(C)n2)c1
214182159	ZINC000278482389	mid	5.45	-55.83	1	313.357	2.174	1	3	3	Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc[nH]c2=O)CC1
365630757	ZINC000274344464	ref	3.5	-4.71	0	269.32	1.154	1	5	4	CCc1ncnc(N2CCOC[C@H]2C[C@H](C)O)c1F
365630764	ZINC000274345366	ref	4.41	-6.71	0	250.302	1.062	1	4	4	CCC[C@@H](C)N(C)C(=O)C(=O)Nc1cncnc1
365630773	ZINC000274345421	ref	4.37	-11.6	0	254.359	1.987	2	4	6	CC(C)CSCCNC(=O)Nc1cncnc1
178299368	ZINC000237129083	ref	6.22	-59.26	1	365.499	1.359	1	3	4	C[NH2+]C1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)CC1
398249413	ZINC000370114694	ref	8.37	-36.85	1	235.396	3.414	1	1	5	C[C@H]([NH2+]C[C@H]1C[C@@]1(C)c1cccs1)C1CC1
178299372	ZINC000237125588	ref	6.33	-60.05	1	365.474	1.179	2	3	4	C[NH2+]C1CCN(C(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1
282121739	ZINC000447887025	ref	3.92	-51.53	1	287.36	0.4	3	4	7	CCC(CC)(C[NH2+][C@H](C)C(=O)NC(=O)NC)C(=O)OC
178299375	ZINC000237133405	ref	6.68	-71.84	1	370.446	1.765	1	4	6	COC(=O)c1c(F)cccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1
342594443	ZINC000616960749	ref	3.22	-17.64	0	290.367	1.35	2	4	5	CC[C@@H](C)n1ncc(C(=O)N[C@H]2CCNC2=O)c1C1CC1
282121777	ZINC000447887025	high	2.86	-17.29	0	287.36	0.4	3	5	7	CCC(CC)(CN[C@H](C)C(=O)NC(=O)NC)C(=O)OC
168364589	ZINC000368498320	ref	7.42	-43.24	1	333.819	3.393	1	4	3	Clc1ccc(-c2noc(C[N@@H+]3CC[C@]4(CCCOC4)C3)n2)cc1
282121784	ZINC000447889758	ref	8.17	-40.04	1	340.508	2.885	2	3	8	CCC(CC)(C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC
342594444	ZINC000616960722	ref	2.75	-17.32	0	250.273	1.061	2	2	2	Cc1cc(C(=O)N[C@H]2CCNC2=O)cc(C)c1F
342594445	ZINC000616960743	ref	1.94	-61.53	-1	289.118	1.317	2	3	2	O=C(N[C@H]1CCNC1=O)c1ccc(Cl)c(Cl)c1[O-]
168364592	ZINC000368498320	mid	7.33	-42.92	1	333.819	3.393	1	4	3	Clc1ccc(-c2noc(C[N@H+]3CC[C@]4(CCCOC4)C3)n2)cc1
342594446	ZINC000616960743	low	0.94	-20.34	0	289.118	1.317	3	3	2	O=C(N[C@H]1CCNC1=O)c1ccc(Cl)c(Cl)c1O
365630744	ZINC000641596743	low	4.37	-36.85	1	280.343	1.977	1	3	2	C[C@]1(O)CCOC[C@@H]1[C@H]1CCCN1c1cc[nH+]cc1F
282121733	ZINC000533466750	ref	2.6	-17.67	0	285.282	1.423	1	6	5	Fc1cccnc1OCCNc1ccc2nccnc2n1
282121737	ZINC000533466204	ref	3.03	-6.57	0	276.384	1.062	1	5	2	C[C@@H](O)[C@@H]1CCCN(c2ncnc3c2CN(C)CC3)C1
282121740	ZINC000533466204	low	5.56	-42.42	1	276.384	1.062	2	4	2	C[C@@H](O)[C@@H]1CCCN(c2ncnc3c2C[N@H+](C)CC3)C1
282121743	ZINC000533466204	low	5.66	-42.29	1	276.384	1.062	2	4	2	C[C@@H](O)[C@@H]1CCCN(c2ncnc3c2C[N@@H+](C)CC3)C1
282121747	ZINC000533467813	ref	3.84	-10.97	0	260.341	1.864	2	4	2	Cc1nc(N2CCC[C@H]([C@@H](C)O)C2)c2cc[nH]c2n1
214182172	ZINC000278480912	ref	8.76	-17.54	0	318.417	3.122	1	3	6	CC[C@H](C(=O)Nc1ccc(C)c(OC(C)C)c1)N1CCCC1=O
178299370	ZINC000299889425	ref	7.63	-6.52	0	241.212	3.461	0	2	0	Cc1cc2ccn(C(=O)C(F)(F)F)c2cc1C
214182175	ZINC000278480946	ref	7.83	-49.18	1	301.434	2.654	2	2	8	C=CCCCCC[NH+]1CCN(c2ccc(C(N)=O)cc2)CC1
178299374	ZINC000063105521	ref	7.46	-9.04	0	249.317	3.869	2	3	2	Cc1cc2ccccc2nc1Nc1cccc(N)c1
398248050	ZINC000649442482	ref	6.17	-10.41	0	242.278	2.279	0	4	1	Cc1cc2c(c(-c3cn(C)nc3C)c1)OCC2=O
214182176	ZINC000278480946	high	5.47	-9.37	0	301.434	2.654	1	3	8	C=CCCCCCN1CCN(c2ccc(C(N)=O)cc2)CC1
214182179	ZINC000278480754	ref	6.36	-14.82	0	301.39	3.269	3	2	7	C#CCCCCC(=O)Nc1cc(NC(=O)NCC)ccc1C
178299382	ZINC000070838773	ref	3.77	-12.41	0	214.268	1.724	1	3	1	Cc1cc2ccccc2nc1N1CC(O)C1
214182181	ZINC000278480310	ref	4.72	-19.65	0	317.345	1.752	2	6	6	CC[C@H](O)c1nccn1CC(=O)Nc1ccc(C(=O)OC)cc1
214182183	ZINC000278480953	ref	6.92	-12.46	0	309.475	3.209	0	3	7	CCS(=O)(=O)C[C@H](C)N(C)Cc1ccc(C2CCC2)cc1
178299385	ZINC000070838773	low	5.21	-22.94	1	214.268	1.724	1	2	1	Cc1cc2ccccc2[nH+]c1N1CC(O)C1
214182185	ZINC000278480953	low	9.2	-42.98	1	309.475	3.209	1	2	7	CCS(=O)(=O)C[C@H](C)[N@H+](C)Cc1ccc(C2CCC2)cc1
282121749	ZINC000533467813	low	3.77	-26.57	1	260.341	1.864	2	3	2	Cc1nc2[nH]ccc2c(N2CCC[C@H]([C@@H](C)O)C2)[nH+]1
349535942	ZINC000594972483	ref	8.4	-44.59	1	259.365	2.692	1	2	6	COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@H]1C
342087392	ZINC000625367521	ref	2.39	-42.73	1	253.317	1.309	3	2	3	Cc1ccc(C[N@@H+]2CC[C@H](CO)[C@@H](O)C2)cc1F
342087393	ZINC000625367521	mid	2.98	-44.22	1	253.317	1.309	3	2	3	Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1F
365630750	ZINC000641596020	ref	2.97	-10.52	0	281.381	1.413	1	3	5	C[C@@H]1CCCN1S(=O)(=O)NC/C=C\c1cccnc1
342087394	ZINC000625367521	mid	0.75	-6.72	0	253.317	1.309	2	3	3	Cc1ccc(CN2CC[C@H](CO)[C@@H](O)C2)cc1F
365630759	ZINC000641597036	ref	3.45	-17.86	0	296.392	1.142	1	3	4	CC(=O)N1CC[C@H](CNS(=O)(=O)c2cccc(C)c2)C1
365630768	ZINC000641596058	ref	5.02	-45.97	1	281.4	1.507	2	2	5	CCO[C@H]1CCCN(C(=O)NCCC2=CC[NH2+]CC2)C1
365630775	ZINC000641595987	ref	2.75	-14.5	0	296.392	1.441	1	4	6	O=S(=O)(CC1CCOCC1)NC/C=C/c1cccnc1
365630780	ZINC000641596100	ref	3.68	-44.75	1	283.416	1.346	3	2	6	CC(C)(C)CN(CCO)C(=O)NCCC1=CC[NH2+]CC1
365630789	ZINC000641596061	ref	6.44	-86.36	2	292.427	1.176	3	1	4	O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@H]([NH+]2CCCC2)C1
365630793	ZINC000641596061	high	4.05	-45.17	1	292.427	1.176	2	2	4	O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@H](N2CCCC2)C1
365630800	ZINC000641596034	ref	2.74	-10.44	0	281.381	1.271	1	3	5	C[C@H]1CCN(S(=O)(=O)NC/C=C\c2cccnc2)C1
342087395	ZINC000625367064	ref	4.23	-9.78	0	273.398	1.687	1	3	8	CCO[C@H](CS(=O)(=O)NCC1CC=CC1)C1CC1
342087396	ZINC000625364239	ref	4.03	-7.31	0	260.403	1.884	1	2	3	CC1(C)CCC(C)(C)N(S(=O)(=O)NC2CC2)C1
342087397	ZINC000625367631	ref	1.11	-13.0	0	274.276	1.521	1	5	3	C[C@@]1(C(=O)NCc2cocn2)COc2ccccc2O1
342087398	ZINC000625367500	ref	1.29	-10.36	0	275.324	1.617	1	5	3	O[C@H]1CN(Cc2nnc(C3CC3)s2)CC(F)(F)C1
432002720	ZINC000062104664	ref	8.17	-9.23	0	301.411	3.383	0	2	2	Cc1ccccc1S(=O)(=O)N1C[C@@H](C)Cc2ccccc21
365630809	ZINC000641596651	ref	2.09	-12.06	0	288.278	1.286	2	3	1	O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1C[C@H]2C[C@@]2(O)C1
365630817	ZINC000641596059	ref	5.01	-45.93	1	281.4	1.507	2	2	5	CCO[C@@H]1CCCN(C(=O)NCCC2=CC[NH2+]CC2)C1
398248051	ZINC000651458052	ref	8.13	-8.48	0	262.397	3.295	1	1	1	O=C(NC1CC2(CCC2)C1)N1CC2(CCCCC2)C1
365630822	ZINC000641597118	ref	2.08	-11.19	0	289.266	1.082	1	5	2	O=C(c1noc(-c2cccc(F)c2)n1)N1C[C@@H]2C[C@]2(O)C1
342087399	ZINC000033756960	ref	-0.48	-7.81	0	284.164	1.652	2	3	4	C[C@H](O)CNS(=O)(=O)c1ccc(Cl)cc1Cl
342087400	ZINC000033756960	high	-0.34	-38.85	-1	284.164	1.652	1	3	4	C[C@H](O)C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl
398249419	ZINC000369746863	ref	5.2	-42.11	1	201.285	1.895	1	1	4	FCCC[NH2+][C@@H]1CCC12CCOCC2
214182171	ZINC000053419883	mid	7.18	-50.17	1	333.384	2.328	2	5	9	CCOC(=O)c1cccc(OC[C@H](O)C[N@@H+](C)Cc2ccco2)c1
168364593	ZINC000368498320	mid	4.91	-5.18	0	333.819	3.393	0	5	3	Clc1ccc(-c2noc(CN3CC[C@]4(CCCOC4)C3)n2)cc1
214182173	ZINC000053419883	mid	4.75	-14.43	0	333.384	2.328	1	6	9	CCOC(=O)c1cccc(OC[C@H](O)CN(C)Cc2ccco2)c1
282121735	ZINC000248965199	ref	0.83	-10.92	0	314.813	1.651	3	4	7	Cc1cccc(Cl)c1NC(=O)CN(C[C@@H](C)O)[C@H](C)CO
282121741	ZINC000248965199	mid	4.08	-36.73	1	314.813	1.651	4	3	7	Cc1cccc(Cl)c1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO
214182177	ZINC000053411225	ref	8.13	-27.24	0	327.413	1.876	1	6	7	O=C(Cn1cnnn1)NCCSCc1cccc2ccccc12
214182182	ZINC000053420081	ref	2.86	-5.24	0	346.924	2.695	1	5	6	CC(C)(C)OC[C@H](O)CN1CCN(Cc2ccc(Cl)s2)CC1
178299377	ZINC000237125975	ref	8.96	-63.76	-1	357.41	1.732	0	6	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1
214182186	ZINC000053420081	mid	5.17	-39.52	1	346.924	2.695	2	4	6	CC(C)(C)OC[C@H](O)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1
214182189	ZINC000053415851	ref	2.32	-24.31	0	344.408	0.93	2	4	8	O=C(C[C@H]1CCCO1)NCCS(=O)(=O)NCc1ccc(F)cc1
342594447	ZINC000616960747	ref	3.22	-17.57	0	290.367	1.35	2	4	5	CC[C@H](C)n1ncc(C(=O)N[C@H]2CCNC2=O)c1C1CC1
214182193	ZINC000053441264	ref	4.59	-8.17	0	338.411	3.208	0	6	5	C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccco2)CC1
214182198	ZINC000053441264	low	6.85	-40.93	1	338.411	3.208	1	5	5	C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccco2)CC1
214182202	ZINC000053419691	ref	6.73	-11.27	0	341.407	2.744	1	5	6	C[C@@H]1Cc2ccccc2N1C[C@H](O)COCc1ccc2c(c1)OCO2
214182209	ZINC000053433730	ref	5.59	-5.69	0	337.851	2.07	1	3	3	CC(C)NC(=O)C(=O)N1CCN([C@@H](C)c2ccccc2Cl)CC1
282121744	ZINC000248965199	mid	3.37	-38.54	1	314.813	1.651	4	3	7	Cc1cccc(Cl)c1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO
178299380	ZINC000237134894	ref	5.03	-49.87	1	357.451	1.048	1	3	6	C[NH2+]CCCC(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1
214182213	ZINC000053433730	low	7.14	-37.86	1	337.851	2.07	2	2	3	CC(C)NC(=O)C(=O)N1CC[NH+]([C@@H](C)c2ccccc2Cl)CC1
214182218	ZINC000053420581	ref	7.1	-50.62	1	332.448	1.998	3	3	6	CC(C)C[NH+]1CCN(CCC(=O)NC(=O)Nc2ccccc2)CC1
199272980	ZINC000294964223	mid	6.6	-15.48	0	294.233	2.202	2	4	5	CC(C)(CCC(=O)Nc1ncc(C(F)(F)F)[nH]1)[N+](=O)[O-]
365630752	ZINC000122733485	ref	5.01	-9.6	0	276.365	2.128	0	6	2	Cc1ccnc(N2CCO[C@H](c3nc(C)cs3)C2)n1
365630763	ZINC000122661488	ref	3.76	-10.41	0	299.392	2.338	1	4	8	C=C(C)CNS(=O)(=O)c1ccc(OCC)c(OCC)c1
365630774	ZINC000122690080	ref	9.06	-9.43	0	269.385	2.47	0	3	7	CC[C@]1(C)C[C@H]1C(=O)N(CCC(=O)OC)CC(C)C
178299383	ZINC000237135673	ref	3.66	-53.14	1	357.451	1.095	2	3	7	C[NH2+]CCCC(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1
178299386	ZINC000237132770	ref	7.58	-52.08	1	356.474	1.719	1	5	6	Cc1c(C(=O)N(C)CCN(C)c2ccccc2)nnn1C1CC[NH2+]CC1
365630784	ZINC000122654934	ref	4.92	-7.73	0	253.367	2.494	1	2	6	C=C(C)CNS(=O)(=O)c1ccc(CCC)cc1
365630798	ZINC000122662809	ref	5.66	-11.63	0	262.272	2.448	1	4	3	N#C[C@@H](C(=O)c1cccnc1)c1nc2ccccc2[nH]1
365630805	ZINC000122662809	high	5.18	-41.87	-1	262.272	2.448	1	4	2	N#CC(=C([O-])c1cccnc1)c1nc2ccccc2[nH]1
365630812	ZINC000122662809	high	5.66	-11.62	0	262.272	2.448	1	4	3	N#CC(C(=O)c1cccnc1)c1nc2ccccc2[nH]1
365630819	ZINC000122663335	ref	6.5	-10.02	0	286.36	2.403	0	6	4	Cc1csc([C@@H](C#N)C(=O)c2ccnc(N(C)C)c2)n1
365630827	ZINC000122663335	mid	5.55	-35.9	-1	286.36	2.403	0	6	3	Cc1csc(C(C#N)=C([O-])c2ccnc(N(C)C)c2)n1
178299389	ZINC000237125307	ref	4.04	-48.75	1	351.241	1.961	1	2	3	CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(F)c(Br)c1
365630835	ZINC000122663335	mid	6.48	-9.9	0	286.36	2.403	0	6	4	Cc1csc(C(C#N)C(=O)c2ccnc(N(C)C)c2)n1
365630841	ZINC000122717182	ref	7.77	-10.29	0	259.309	2.199	0	4	2	C[C@@H]1CCN(C(=O)c2ccco2)C[C@H]1n1ccnc1
365630854	ZINC000122717182	low	8.49	-39.87	1	259.309	2.199	0	3	2	C[C@@H]1CCN(C(=O)c2ccco2)C[C@H]1n1cc[nH+]c1
365630862	ZINC000122715013	ref	9.89	-179.58	3	267.461	2.038	3	0	5	CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1
178299393	ZINC000237135461	ref	8.03	-66.38	1	366.483	1.934	1	4	6	COC(=O)c1cc(C)ccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1
282121748	ZINC000248965353	ref	3.24	-51.66	1	301.333	1.782	2	3	7	CCOC[C@H](O)C[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1
178299395	ZINC000237130298	ref	2.36	-51.4	1	353.488	1.685	3	3	6	CCNS(=O)(=O)c1ccc(C)c(C(=O)NCC2([NH3+])CCCCC2)c1
282121753	ZINC000248965353	high	2.09	-7.35	0	301.333	1.782	2	4	7	CCOC[C@H](O)CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1
365630871	ZINC000122715013	mid	9.76	-173.4	3	267.461	2.038	3	0	5	CCC[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1
398249424	ZINC000370225627	ref	4.15	-37.07	1	213.321	1.57	1	2	4	CO[C@@H](C)C[NH2+][C@@H]1CCC12CCOCC2
178299391	ZINC000104286033	ref	9.34	-7.58	0	247.301	3.265	0	3	2	Cc1cc2ccccc2n1Cc1cccnc1C#N
136229028	ZINC000184901916	ref	7.92	-16.82	0	217.293	2.476	0	3	2	CC#CCCn1ccc(=O)c2sccc21
365630772	ZINC000336549113	ref	5.35	-9.31	0	288.372	2.493	1	4	3	Cc1nsc(C)c1C(=O)NC[C@@H]1Cc2ccccc2O1
365630778	ZINC000336548447	ref	5.51	-10.45	0	290.388	2.404	2	3	3	CC1(C)C[C@H]1NC(=O)C[C@@H]1Sc2ccccc2NC1=O
365630787	ZINC000336548306	ref	3.29	-10.02	0	263.815	2.354	0	3	2	C[C@@H]1CN(Cc2ccsc2Cl)CC[S@@]1=O
178299398	ZINC000003256543	ref	8.22	-10.75	0	225.247	3.072	0	3	2	Cc1cc2ccccn2c1C(=O)c1ccco1
365630794	ZINC000336548670	ref	6.5	-10.78	0	278.396	2.084	1	2	3	O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)C1CCCC1
365630802	ZINC000336549099	ref	4.91	-9.83	0	250.346	2.117	2	3	3	Cc1nnc([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)[nH]1
365630811	ZINC000336549099	mid	4.91	-9.83	0	250.346	2.117	2	3	3	Cc1nc([C@@H](C)NC(=O)[C@H]2CCCC2(C)C)n[nH]1
365630818	ZINC000336549161	ref	4.37	-8.45	0	275.333	2.463	1	5	3	Cc1nc(CNC(=O)c2cc(C#N)oc2C)sc1C
178299414	ZINC000131623142	ref	6.0	-7.61	0	228.295	2.744	1	3	2	Cc1cc2ccccc2nc1N[C@@H]1CCOC1
365630825	ZINC000336548731	ref	4.27	-9.4	0	290.294	2.159	0	4	3	COCc1nc(C(=O)N2CCc3ccc(F)cc3C2)co1
178299421	ZINC000131623142	low	6.32	-26.14	1	228.295	2.744	1	2	2	Cc1cc2ccccc2[nH+]c1N[C@@H]1CCOC1
178299424	ZINC000003193719	ref	7.53	-6.46	0	227.185	2.993	0	2	1	Cc1cc2ccccn2c1C(=O)C(F)(F)F
136229029	ZINC000292831461	ref	2.47	-36.04	1	226.32	0.381	3	2	5	C=C[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1
178299430	ZINC000063105167	ref	8.15	-38.94	1	241.338	2.343	1	2	1	Cc1cc2ccccc2nc1N1CCC[NH2+]CC1
178299441	ZINC000034432700	ref	9.99	-43.04	1	242.366	3.292	1	1	2	Cc1cc2ccccc2n1C[C@@H]1CCC[N@@H+](C)C1
178299445	ZINC000034432700	mid	10.42	-42.01	1	242.366	3.292	1	1	2	Cc1cc2ccccc2n1C[C@@H]1CCC[N@H+](C)C1
282121751	ZINC000449151543	mid	4.57	-8.74	0	283.375	2.137	2	3	5	Cc1ccccc1[C@H](N)C(=O)N[C@@H](C)Cc1ccncc1
178299448	ZINC000301708455	ref	9.86	-7.59	0	240.35	3.635	0	2	1	Cc1cc2ccccc2nc1N1C[C@@H](C)[C@@H](C)C1
262838554	ZINC000527445033	ref	5.42	-12.23	0	242.319	1.522	1	3	5	CCOC(=O)CCCNC(=O)N1[C@@H](C)C[C@H]1C
178299451	ZINC000301708455	low	10.3	-21.32	1	240.35	3.635	0	1	1	Cc1cc2ccccc2[nH+]c1N1C[C@@H](C)[C@@H](C)C1
365630833	ZINC000336548284	ref	6.67	-10.03	0	261.35	2.091	0	4	2	C[C@@H](C(=O)N1CCn2ccnc2C1)c1ccsc1
214182187	ZINC000278480953	low	9.2	-42.75	1	309.475	3.209	1	2	7	CCS(=O)(=O)C[C@H](C)[N@@H+](C)Cc1ccc(C2CCC2)cc1
282121752	ZINC000533467074	ref	1.67	-14.02	0	267.329	1.916	2	4	2	Cc1nc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)oc1C
214182190	ZINC000278481160	ref	6.51	-12.54	0	317.393	1.732	1	6	3	Cc1cc(N2CCC[C@@H](NC(=O)c3c(C)noc3C)C2)n(C)n1
187168601	ZINC000125078658	ref	3.02	-9.22	0	296.758	2.689	3	6	6	CNc1c(Cl)ncnc1N[C@@H](C)C[C@@H](O)c1ccco1
342594448	ZINC000616961308	ref	2.71	-18.78	0	297.152	1.376	2	2	2	Cc1ccc(C(=O)N[C@H]2CCNC2=O)c(Br)c1
214182192	ZINC000278482210	ref	4.21	-9.76	0	317.292	3.04	1	5	4	Cc1csc(NC(=O)c2ccc(OCC(F)(F)F)cn2)n1
214182194	ZINC000278481010	ref	6.07	-13.84	0	317.364	2.249	1	4	4	Cn1cccc1CNc1ccc(C(=O)N2CCOCC2)c(F)c1
214182196	ZINC000278481688	ref	10.25	-13.77	0	300.402	3.254	0	3	5	CCCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCC(C)(C)O1
342594449	ZINC000616960742	ref	1.94	-61.54	-1	289.118	1.317	2	3	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Cl)c(Cl)c1[O-]
214182199	ZINC000278481410	ref	6.25	-11.51	0	300.402	2.964	2	3	7	C=CC[C@H](CO)NC(=O)c1cccc2c1ccn2CC(C)C
214182201	ZINC000278481918	ref	8.0	-39.39	1	312.404	3.116	2	2	6	C[C@H](NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F
214182203	ZINC000278481918	mid	7.98	-37.95	1	312.404	3.116	2	2	6	C[C@H](NCCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F
282121755	ZINC000533466197	ref	2.89	-6.46	0	276.384	1.062	1	5	2	C[C@@H](O)[C@H]1CCCN(c2ncnc3c2CN(C)CC3)C1
187168602	ZINC000125076479	ref	1.44	-18.22	0	288.275	1.737	2	4	3	COc1cc(F)c(NC(=O)[C@@H]2CSC(=O)N2)cc1F
342594450	ZINC000616960742	low	0.94	-19.07	0	289.118	1.317	3	3	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Cl)c(Cl)c1O
214182205	ZINC000278481918	mid	6.9	-46.58	1	312.404	3.116	1	2	6	C[C@H]([NH2+]CCCN1CCCO[C@H](C)C1)c1ccc(F)cc1F
342594451	ZINC000616960726	ref	2.5	-19.77	0	252.701	1.267	2	2	2	Cc1cccc(C(=O)N[C@@H]2CCNC2=O)c1Cl
214182207	ZINC000278481918	low	9.13	-120.51	2	312.404	3.116	2	1	6	C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F
168365937	ZINC000043379344	ref	3.79	-51.95	1	193.172	1.334	1	2	2	C[C@@H]([NH3+])[C@@H](n1ccnc1)C(F)(F)F
214182208	ZINC000278481918	low	9.11	-117.41	2	312.404	3.116	2	1	6	C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(F)cc1F
342594452	ZINC000616960900	ref	2.99	-19.37	0	278.356	1.171	2	4	5	CCC(CC)n1nc(C(=O)N[C@@H]2CCNC2=O)cc1C
342594453	ZINC000616960810	ref	4.4	-17.37	0	278.327	1.57	2	2	4	CC(C)[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1
365630782	ZINC000274345456	ref	3.66	-10.03	0	291.355	1.388	2	4	3	C[C@H](NC(=O)Nc1cncnc1)C(=O)N1CCCC[C@H]1C
365630788	ZINC000274347515	ref	1.89	-9.2	0	278.356	1.929	3	4	4	C[C@](CO)(NC(=O)Nc1cncnc1)C1CCCCC1
185087377	ZINC000096070825	mid	7.71	-50.29	1	280.375	2.189	1	3	3	c1cncc(C[N@H+]2CCC3(CN(c4cccnc4)C3)C2)c1
365630797	ZINC000274344630	ref	6.68	-44.3	1	286.291	1.159	1	5	4	COC(=O)C1(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1
365630810	ZINC000274344630	mid	6.22	-11.4	0	286.291	1.159	1	6	4	COC(=O)C1(C(=O)Nc2ccn(-c3ccncc3)n2)CC1
365630816	ZINC000274347229	ref	2.84	-17.25	0	288.355	1.141	3	5	9	O=C(CCCCc1c[nH]nn1)NCCNc1ccccn1
349534221	ZINC000093241640	ref	2.82	-42.19	1	272.389	0.619	3	3	5	C[C@@H]1CC(C(=O)NC[C@](C)(O)C[NH+](C)C)C[C@@H](C)O1
365630824	ZINC000274347229	mid	2.76	-14.11	0	288.355	1.141	3	5	9	O=C(CCCCc1cn[nH]n1)NCCNc1ccccn1
365630826	ZINC000274347229	low	3.31	-42.22	1	288.355	1.141	3	4	9	O=C(CCCCc1c[nH]nn1)NCCNc1cccc[nH+]1
282121754	ZINC000449151623	ref	6.56	-54.7	1	299.422	2.365	1	4	5	CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(c2ccccc2)C1
282121757	ZINC000449151623	high	5.34	-9.09	0	299.422	2.365	1	5	5	CCn1nnc(C)c1CN[C@@H]1CCCN(c2ccccc2)C1
365630834	ZINC000274347229	low	3.23	-39.35	1	288.355	1.141	3	4	9	O=C(CCCCc1cn[nH]n1)NCCNc1cccc[nH+]1
365630840	ZINC000274345972	ref	2.69	-8.76	0	284.381	1.457	1	4	3	CC[C@H]1CN(S(=O)(=O)c2ccccc2N)C[C@H](C)O1
168364604	ZINC000368500330	ref	9.13	-8.72	0	329.421	3.272	1	4	5	COC(=O)[C@H](NC(=O)C1CC(c2ccccc2)C1)c1ccsc1
365630848	ZINC000274348280	ref	2.2	-9.44	0	286.278	1.679	0	5	3	FC(F)Oc1ccc(N2CCO[C@]3(CCOC3)C2)nc1
342087401	ZINC000625367343	ref	1.03	-14.55	0	293.348	1.776	1	5	4	Cc1noc2ncc(S(=O)(=O)NCC3CC=CC3)cc12
299072124	ZINC000459275574	ref	8.57	-8.81	0	310.438	2.94	1	3	5	CCC[C@H](NC(=O)N1CCC[C@H](C(=O)OC)C1)C1CCCC1
365630856	ZINC000274346727	ref	0.48	-14.16	0	277.324	1.256	3	4	5	CC[C@@H](Nc1cc2c(cc1OC)CCC(=O)N2)C(N)=O
342087402	ZINC000625366939	ref	4.23	-14.55	0	292.383	1.781	0	5	5	CCCN1CCCN(Cc2noc(C3CCC3)n2)CC1=O
214182188	ZINC000337617667	ref	6.07	-9.83	0	283.412	2.467	0	3	6	COCCOC1CN(C(=O)C[C@H]2CCCCC2(C)C)C1
323004370	ZINC000126843533	ref	9.16	-31.71	1	237.412	3.932	1	1	7	C=CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(C)s1
342087403	ZINC000625366791	ref	-3.01	-7.13	0	271.744	1.221	3	4	3	OC[C@H]1CCN(Cc2cc(O)ccc2Cl)C[C@@H]1O
365630786	ZINC000172878271	ref	3.94	-15.94	0	275.352	1.892	3	3	6	CC(=O)Nc1cc(NCC(=O)NCC2CC2)ccc1C
365630792	ZINC000643091673	ref	1.66	-11.93	0	276.336	1.58	3	3	4	C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCC1(CO)CC1
365630796	ZINC000172879702	ref	2.51	-11.15	0	278.352	1.362	1	4	6	COC[C@@H]1CN(CCC(=O)Nc2ccccc2)CCO1
365630801	ZINC000172879702	mid	4.94	-47.07	1	278.352	1.362	2	3	6	COC[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)CCO1
342087404	ZINC000625366791	mid	-0.09	-38.19	1	271.744	1.221	4	3	3	OC[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@@H]1O
365630804	ZINC000172879702	mid	4.89	-47.0	1	278.352	1.362	2	3	6	COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)CCO1
342087405	ZINC000625366791	mid	-0.58	-36.74	1	271.744	1.221	4	3	3	OC[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@@H]1O
365630808	ZINC000172877735	ref	5.98	-14.42	0	290.363	1.501	1	3	6	Cc1ccccc1O[C@H](C)CNC(=O)CN1CCCC1=O
365630814	ZINC000172879984	ref	-0.31	-40.17	-1	270.314	1.109	0	6	6	CCCCc1noc(CS(=O)(=O)c2ncc[n-]2)n1
365630821	ZINC000172879984	mid	0.18	-17.39	0	270.314	1.109	1	6	6	CCCCc1noc(CS(=O)(=O)c2ncc[nH]2)n1
365630828	ZINC000172880618	ref	1.96	-46.55	-1	299.396	1.267	1	4	4	CC1CCC(NC(=O)[C@@H](C)S(=O)(=O)c2ncc[n-]2)CC1
342087406	ZINC000625366791	high	-1.6	-44.09	-1	271.744	1.221	2	4	3	[O-]c1ccc(Cl)c(CN2CC[C@H](CO)[C@@H](O)C2)c1
365630832	ZINC000172880618	mid	2.43	-19.56	0	299.396	1.267	2	4	4	CC1CCC(NC(=O)[C@@H](C)S(=O)(=O)c2ncc[nH]2)CC1
365630837	ZINC000172879438	ref	2.76	-8.41	0	269.316	1.681	0	4	5	COC[C@@H]1CN(Cc2ccc(OC)c(F)c2)CCO1
342087407	ZINC000625366956	ref	2.62	-9.61	0	259.371	1.44	1	3	4	CC1(C)C[C@@H](S(=O)(=O)NCC2CC=CC2)CO1
365630845	ZINC000172879438	low	5.23	-47.47	1	269.316	1.681	1	3	5	COC[C@@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CCO1
365630849	ZINC000172879438	low	5.18	-47.44	1	269.316	1.681	1	3	5	COC[C@@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CCO1
398248052	ZINC000649442482	high	5.32	-54.67	-1	242.278	2.279	0	4	1	Cc1cc(-c2cn(C)nc2C)c2occ([O-])c2c1
365630853	ZINC000172878022	ref	5.32	-10.56	0	251.326	1.913	1	3	6	CO[C@H](C)C(=O)NC[C@H](C)Oc1ccccc1C
342087408	ZINC000625364207	ref	5.15	-10.08	0	296.411	1.422	1	3	6	C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N(CCC)CCO)C1
342087409	ZINC000625367098	ref	7.01	-11.19	0	291.395	1.639	0	4	3	Cc1cn2c(n1)C[C@@H](C(=O)N(C)C[C@H]1CCCOC1)CC2
365630858	ZINC000643091675	ref	1.88	-12.08	0	276.336	1.58	3	3	4	C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCC1(CO)CC1
214182191	ZINC000337615377	ref	4.78	-10.0	0	281.368	2.042	2	3	6	CSCC[C@H](O)C(=O)NC[C@@H]1CCCC(F)(F)C1
214182195	ZINC000337619160	ref	7.79	-40.31	1	287.407	2.328	3	1	5	O=C(NCC[NH+]1CCC1)N[C@@H]1CCC[C@@H]1c1ccccc1
187168603	ZINC000125077035	ref	7.35	-13.56	0	299.374	2.884	0	5	7	COCCN(Cc1cn2ccccc2n1)Cc1ccc(C)o1
365630791	ZINC000625060130	ref	3.75	-11.69	0	319.373	2.367	1	3	5	Cc1ccc(S(=O)(=O)N[C@@H](C)C[C@@H]2CCOC2)c(F)c1F
185087379	ZINC000096070825	high	5.27	-8.28	0	280.375	2.189	0	4	3	c1cncc(CN2CCC3(C2)CN(c2cccnc2)C3)c1
185087382	ZINC000096072084	ref	5.52	-12.31	0	277.368	1.807	0	5	4	COCC[C@@H]1CO[C@@]2(CCN(c3ccc(C)nn3)C2)C1
365630799	ZINC000625060130	high	3.61	-44.54	-1	319.373	2.367	0	3	5	Cc1ccc(S(=O)(=O)[N-][C@@H](C)C[C@@H]2CCOC2)c(F)c1F
214182197	ZINC000337619160	mid	4.6	-10.39	0	287.407	2.328	2	2	5	O=C(NCCN1CCC1)N[C@@H]1CCC[C@@H]1c1ccccc1
299072125	ZINC000352140208	high	8.03	-42.11	1	326.529	2.334	2	2	6	C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C
214182200	ZINC000337615653	ref	-0.12	-15.8	0	292.339	0.412	4	4	7	COC[C@@H](O)CNC(=O)NCCc1c[nH]c2ncccc12
214182204	ZINC000337620123	ref	5.8	-20.87	0	265.276	2.085	2	4	2	c1ccc2c(CN=c3ncnc4[nH][nH]cc3-4)coc2c1
214182206	ZINC000337620123	high	5.65	-35.1	-1	265.276	2.085	1	4	2	c1ccc2c(CN=c3ncnc4[nH][n-]cc3-4)coc2c1
214182210	ZINC000337616341	ref	2.89	-10.94	0	286.278	2.067	2	4	4	O=C(N[C@@H]1CCCC[C@@H]1OC(F)F)c1ncccc1O
197590823	ZINC000290091143	ref	4.81	-8.96	0	284.359	2.496	2	3	5	CCc1ccnc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c1
214182211	ZINC000337616341	mid	3.89	-53.23	-1	286.278	2.067	1	4	4	O=C(N[C@@H]1CCCC[C@@H]1OC(F)F)c1ncccc1[O-]
214182214	ZINC000337618068	ref	5.04	-10.94	0	260.359	0.942	1	4	4	COC(=O)[C@@H]1CCN(C(=O)NC[C@@H](C)SC)C1
214182216	ZINC000337620119	ref	8.46	-42.75	1	291.326	2.183	2	3	6	CC[NH+](CC)CC(=O)Nc1cc(-c2cccc(F)c2)on1
197590825	ZINC000290089061	ref	4.46	-11.61	0	255.224	3.018	0	5	2	FC1(F)CCC[C@@H](c2nc(-c3ccon3)no2)C1
136229030	ZINC000292831461	high	0.09	-6.68	0	226.32	0.381	2	3	5	C=C[C@@H](CO)NC(=O)CC1CCN(C)CC1
214182219	ZINC000337620119	mid	6.45	-8.46	0	291.326	2.183	1	4	6	CCN(CC)CC(=O)Nc1cc(-c2cccc(F)c2)on1
214182221	ZINC000337617871	ref	8.08	-17.54	0	273.384	2.365	1	4	3	C[C@H]1CCC[C@H](CCN=c2ncnc3[nH]n(C)cc2-3)C1
230723264	ZINC000414271376	ref	6.84	-20.05	0	301.839	3.444	1	2	6	CCCC[S@](=O)CC(=O)Nc1c(C)cc(C)cc1Cl
365630803	ZINC000617413622	mid	5.93	-39.46	1	292.364	0.58	2	5	2	C[N@H+]1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)C1
178299397	ZINC000237132600	ref	6.2	-58.74	1	365.474	1.179	2	3	4	C[NH2+]C1CCN(C(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)CC1
178299401	ZINC000237131825	ref	2.59	-50.77	1	361.467	1.691	3	3	8	CCNS(=O)(=O)c1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1
178299404	ZINC000237131825	high	2.26	-13.4	0	361.467	1.691	3	4	8	CCNS(=O)(=O)c1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1
365630807	ZINC000617413622	high	3.07	-13.07	0	292.364	0.58	1	6	2	CN1CCC[C@H](NC(=O)c2cnc3sccn3c2=O)C1
365630815	ZINC000617414174	ref	4.37	-45.78	1	253.346	0.065	2	2	2	CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1=O
365630823	ZINC000617414174	mid	4.91	-47.53	1	253.346	0.065	2	2	2	CN1CC[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O
178299407	ZINC000237127563	ref	4.22	-47.16	1	351.472	1.796	2	3	4	CN(C)S(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1
178299412	ZINC000237133365	ref	8.29	-61.58	-1	357.41	1.862	0	6	5	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1
365630829	ZINC000617414174	high	2.01	-11.49	0	253.346	0.065	1	3	2	CN1CCC[C@@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1
178299417	ZINC000237136392	ref	6.78	-102.08	2	358.53	1.924	2	2	6	C[N@H+](CCN1CCN(C(=O)C2([NH3+])CCCCC2)CC1)Cc1ccccc1
365630836	ZINC000617413621	ref	5.95	-39.35	1	292.364	0.58	2	5	2	C[N@@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1
365630842	ZINC000617413621	mid	5.44	-40.46	1	292.364	0.58	2	5	2	C[N@H+]1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1
178299420	ZINC000237136392	mid	6.78	-102.27	2	358.53	1.924	2	2	6	C[N@@H+](CCN1CCN(C(=O)C2([NH3+])CCCCC2)CC1)Cc1ccccc1
282121756	ZINC000248966054	ref	2.61	-16.86	0	312.435	1.918	1	4	6	CC(C)[C@H](CNS(=O)(=O)[C@@H]1CCO[C@H]1C)c1cccnc1
178299422	ZINC000237136392	high	4.44	-49.23	1	358.53	1.924	1	3	6	CN(CCN1CCN(C(=O)C2([NH3+])CCCCC2)CC1)Cc1ccccc1
282121758	ZINC000248965100	ref	4.04	-14.11	0	324.396	1.256	1	4	6	CCN(Cc1cccc(F)c1)C(=O)CN1C[C@H](C)O[C@@H](CO)C1
299072126	ZINC000358087250	ref	6.8	-14.05	0	322.796	1.835	1	5	6	CN(C)c1ncc(CNC(=O)COc2cccc(Cl)c2)n1C
365630847	ZINC000617413621	high	3.06	-13.11	0	292.364	0.58	1	6	2	CN1CCC[C@@H](NC(=O)c2cnc3sccn3c2=O)C1
365630855	ZINC000617415071	ref	6.01	-48.29	1	281.4	0.701	2	2	4	CC(C)CN1C[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1=O
299072127	ZINC000354602434	ref	0.36	-18.26	0	338.389	0.695	2	6	5	Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(S(N)(=O)=O)cn1
299072134	ZINC000354602061	ref	5.26	-14.61	0	325.478	0.895	0	4	3	C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@H]2CCSC2)CC1
365630806	ZINC000625059878	ref	3.6	-13.36	0	317.382	2.168	0	4	4	COc1ccc(N(C)S(=O)(=O)[C@H]2COC(C)(C)C2)cc1F
342594454	ZINC000616961149	ref	3.82	-18.43	0	260.337	1.159	2	2	3	Cc1cc(C)c(CC(=O)N[C@H]2CCNC2=O)c(C)c1
342594455	ZINC000616960901	ref	2.99	-19.34	0	278.356	1.171	2	4	5	CCC(CC)n1nc(C(=O)N[C@H]2CCNC2=O)cc1C
214182212	ZINC000278481415	ref	6.36	-14.02	0	302.418	3.046	2	3	7	CC(C)Cn1ccc2c(C(=O)NC[C@H](C)CCO)cccc21
365630813	ZINC000625062611	ref	1.86	-11.13	0	318.464	2.174	1	5	4	Cc1cnc(C(C)(C)NS(=O)(=O)[C@H]2COC(C)(C)C2)s1
365630820	ZINC000625060149	ref	2.87	-8.76	0	319.467	2.069	1	4	5	CC1(C)C[C@H](S(=O)(=O)NCC(C)(C)[C@H]2CCCCO2)CO1
365630831	ZINC000625060829	ref	7.93	-13.5	0	322.364	2.319	0	4	4	Cc1ccc(CN(C)CC#CCN2C(=O)c3ccccc3C2=O)o1
365630838	ZINC000625060829	low	10.2	-42.17	1	322.364	2.319	1	3	4	Cc1ccc(C[N@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)o1
342594456	ZINC000616961115	ref	4.42	-17.91	0	274.364	1.531	2	2	3	CC(C)(C)c1ccc(CC(=O)N[C@@H]2CCNC2=O)cc1
365630844	ZINC000625060829	low	10.31	-41.88	1	322.364	2.319	1	3	4	Cc1ccc(C[N@@H+](C)CC#CCN2C(=O)c3ccccc3C2=O)o1
187168604	ZINC000125077035	low	9.74	-33.47	1	299.374	2.884	1	4	7	COCC[N@@H+](Cc1cn2ccccc2n1)Cc1ccc(C)o1
365630852	ZINC000625060498	ref	2.04	-14.87	0	320.78	2.209	1	5	6	COc1cncc(CN(C)CC(=O)Nc2cccc(Cl)c2)n1
365630860	ZINC000625060140	ref	3.83	-11.0	0	319.467	2.072	1	4	9	CCCC1(CNS(=O)(=O)CC2(OCC)CCOCC2)CC1
187168605	ZINC000125077035	low	9.73	-33.12	1	299.374	2.884	1	4	7	COCC[N@H+](Cc1cn2ccccc2n1)Cc1ccc(C)o1
187168606	ZINC000125070621	ref	7.5	-8.47	0	286.47	2.807	2	6	10	CSCCCNc1cc(NCCCSC)ncn1
342594457	ZINC000616960959	ref	3.24	-15.64	0	252.358	1.598	2	2	3	CC1(C)CCC[C@@H](CC(=O)N[C@@H]2CCNC2=O)C1
365630866	ZINC000625062867	ref	4.08	-8.39	0	319.467	2.163	0	4	3	CC(C)(C)OC1CCN(S(=O)(=O)[C@H]2COC(C)(C)C2)CC1
342594458	ZINC000616960724	ref	3.25	-16.1	0	252.358	1.598	2	2	3	CC1(C)CCC(CC(=O)N[C@@H]2CCNC2=O)CC1
365630872	ZINC000625061808	ref	5.18	-10.28	0	320.418	2.078	0	5	4	CC[C@@]1(C)CCN(S(=O)(=O)c2cnnn2-c2ccccc2)C1
214182215	ZINC000278481584	ref	6.78	-46.82	1	324.327	2.821	2	3	3	O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1CC[NH+](C2CC2)CC1
342087410	ZINC000625367098	low	7.43	-34.43	1	291.395	1.639	0	3	3	Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C[C@H]1CCCOC1)CC2
342087411	ZINC000621361727	ref	5.38	-35.75	1	268.401	1.195	2	2	3	C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)C1
342087412	ZINC000621361727	mid	5.15	-35.36	1	268.401	1.195	2	2	3	C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)C1
342087413	ZINC000621361727	mid	2.96	-9.2	0	268.401	1.195	1	3	3	C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)[C@@H](CO)C2)C1
214182217	ZINC000278481584	high	4.82	-12.4	0	324.327	2.821	1	4	3	O=C(Nc1ccc2c(c1)OC(F)(F)O2)C1CCN(C2CC2)CC1
214182220	ZINC000278481908	ref	5.63	-8.37	0	305.338	2.153	2	6	4	CC(C)c1cc(NC(=O)C(=O)Nc2ccnn2C(C)C)no1
214182222	ZINC000278482118	ref	8.26	-10.75	0	322.357	2.448	0	6	5	COC(=O)c1ccc(OC(=O)[C@H]2CCO[C@@H]2C(C)C)c(OC)c1
282121759	ZINC000449151967	ref	7.65	-36.62	1	294.439	2.325	1	2	6	C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(OCC2CCCC2)CC1
214182225	ZINC000278480544	ref	5.98	-11.35	0	317.349	1.748	2	6	5	O=[N+]([O-])c1ccc2[nH]c(NCC3(N4CCOCC4)CC3)nc2c1
214182226	ZINC000278480544	mid	8.18	-50.09	1	317.349	1.748	3	5	5	O=[N+]([O-])c1ccc2[nH]c(NCC3([NH+]4CCOCC4)CC3)nc2c1
342087414	ZINC000625367276	ref	6.92	-40.27	1	289.383	1.313	1	4	3	O=C(c1cn(C2CC2)nn1)N1CC[C@H]([NH+]2CCCCC2)C1
365630830	ZINC000641596638	ref	1.43	-11.08	0	270.354	1.049	1	4	7	COC[C@H](C)S(=O)(=O)NC/C=C\c1cccnc1
365630839	ZINC000641596627	ref	2.68	-10.33	0	269.37	1.271	1	3	7	CCCN(C)S(=O)(=O)NC/C=C\c1cccnc1
342087415	ZINC000625367276	high	4.74	-8.47	0	289.383	1.313	0	5	3	O=C(c1cn(C2CC2)nn1)N1CC[C@H](N2CCCCC2)C1
349534222	ZINC000602428962	mid	6.5	-6.46	0	243.347	1.829	0	4	6	CCC[C@@H](CN1CCCC[C@@H]1C(=O)OC)OC
136229031	ZINC000292810181	ref	3.56	-14.49	0	221.256	1.367	1	3	7	C=CCOCCOc1ccccc1C(N)=O
342087416	ZINC000625364237	ref	1.4	-9.71	0	277.353	1.774	2	6	4	CNc1cnc(C(=O)N[C@@H](C)c2csc(C)n2)cn1
136229032	ZINC000292820274	ref	6.36	-10.58	0	236.319	1.595	1	4	5	C=CCC(C)(C)C(=O)N[C@@H](C)c1nncn1C
342087417	ZINC000625367381	ref	5.47	-13.83	0	270.332	1.398	1	2	2	NC(=O)[C@H]1c2ccccc2CCN1C(=O)C12CC(C1)C2
343994921	ZINC000073800613	high	2.97	-7.02	0	242.363	1.261	1	3	7	CCCNC(=O)C1CCN(CCOCC)CC1
136229033	ZINC000292805300	ref	7.05	-4.42	0	219.275	2.701	0	1	5	C=CCC(F)(F)C(=O)N(C)[C@H](C)C(C)C
342594459	ZINC000194361213	ref	5.02	-20.07	0	299.33	1.833	2	4	5	COc1cccc(C2=NO[C@@H](C(=O)NCc3ccc[nH]3)C2)c1
365630843	ZINC000336548284	low	7.13	-40.04	1	261.35	2.091	0	3	2	C[C@@H](C(=O)N1CCn2cc[nH+]c2C1)c1ccsc1
365630850	ZINC000336548237	ref	5.85	-7.64	0	275.327	2.381	0	3	2	O=C(c1cc(N2CCCC2)ccn1)N1CCC=C(F)C1
365630859	ZINC000336548561	ref	4.74	-9.45	0	265.74	2.245	1	2	1	Cc1c(Cl)cccc1C(=O)N1C[C@H](O)C2(CC2)C1
365630868	ZINC000336549045	ref	5.89	-10.34	0	252.358	2.093	0	2	1	CN(C(=O)N1CC2(CCOCC2)C1)C1CCCC1
365630878	ZINC000336548352	ref	5.27	-14.52	0	292.404	2.184	1	2	3	C[C@@H]1c2ccccc2CN1C(=O)NCC1([S@@](C)=O)CC1
295666165	ZINC000297078964	ref	2.33	-8.86	0	323.34	2.472	2	4	4	O=C(NC[C@@H]1CCCOC1)N[C@H](c1nccs1)C(F)(F)F
343994922	ZINC000139447132	ref	8.65	-1.03	0	174.715	4.49	0	0	7	CCCCCCCC/C=C\Cl
365630886	ZINC000336549010	ref	6.35	-40.78	1	253.292	2.435	2	1	3	C[C@]1(O)CC[N@H+](C/C=C/c2ccc(F)cc2F)C1
365630893	ZINC000336549010	mid	3.85	-4.72	0	253.292	2.435	2	1	3	C[C@]1(O)CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1
365630898	ZINC000336549010	mid	3.85	-4.72	0	253.292	2.435	1	2	3	C[C@]1(O)CCN(C/C=C/c2ccc(F)cc2F)C1
365630903	ZINC000336548354	ref	5.27	-14.54	0	292.404	2.184	1	2	3	C[C@H]1c2ccccc2CN1C(=O)NCC1([S@@](C)=O)CC1
365630911	ZINC000336548190	ref	5.17	-17.76	0	287.294	2.141	2	3	3	CNC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)nc1
365630917	ZINC000336548280	ref	5.88	-14.69	0	288.376	2.151	2	4	3	Cc1ccc(-c2nc(S[C@@H]3CCCNC3=O)n[nH]2)cc1
365630922	ZINC000336548280	mid	6.23	-13.62	0	288.376	2.151	2	4	3	Cc1ccc(-c2n[nH]c(S[C@@H]3CCCNC3=O)n2)cc1
365630926	ZINC000336548560	ref	4.59	-11.14	0	265.74	2.245	1	2	1	Cc1c(Cl)cccc1C(=O)N1C[C@@H](O)C2(CC2)C1
365630934	ZINC000336548328	ref	7.5	-10.74	0	297.358	2.07	0	4	2	Cc1ccc2c(c1)CN(C(=O)C(=O)c1c(C)nn(C)c1C)C2
342594460	ZINC000616962771	ref	2.62	-17.45	0	276.336	1.193	2	3	5	COc1cccc([C@@H](C)CC(=O)N[C@@H]2CCNC2=O)c1
306234625	ZINC000557898905	ref	8.07	-20.43	0	345.443	1.849	0	4	5	O=C(COCc1cccnc1)N1CCC(C(=O)N2CCCCC2)CC1
342594461	ZINC000194363424	ref	4.42	-19.74	0	272.304	1.809	2	4	3	Cc1ccc(NC(=O)Cn2ccc(C)cc2=O)c(O)c1
342594462	ZINC000194363424	high	5.17	-57.26	-1	272.304	1.809	1	4	3	Cc1ccc(NC(=O)Cn2ccc(C)cc2=O)c([O-])c1
342594463	ZINC000616961336	ref	4.05	-17.89	0	258.321	1.185	2	2	4	O=C1NCC[C@@H]1NC(=O)[C@H](c1ccccc1)C1CC1
365630846	ZINC000641596746	ref	1.41	-5.65	0	280.343	1.977	1	4	2	C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1ccncc1F
365630851	ZINC000641596746	low	1.87	-35.13	1	280.343	1.977	1	3	2	C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1c1cc[nH+]cc1F
343993559	ZINC000599268044	ref	6.46	-41.75	1	251.33	1.741	1	4	6	CC[N@@H+](Cc1cnc(C(=O)OC)cn1)CC(C)C
343993562	ZINC000599268044	mid	6.49	-41.14	1	251.33	1.741	1	4	6	CC[N@H+](Cc1cnc(C(=O)OC)cn1)CC(C)C
365630857	ZINC000641596917	ref	3.52	-17.85	0	296.392	1.142	1	3	4	CC(=O)N1CC[C@H](CNS(=O)(=O)c2ccc(C)cc2)C1
365630861	ZINC000641596095	ref	6.04	-44.7	1	253.39	1.984	2	1	6	CC(C)CCN(C)C(=O)NCCC1=CC[NH2+]CC1
365630870	ZINC000641597225	ref	6.77	-9.35	0	283.371	1.874	1	2	1	O=C([C@@H]1C[C@]12CCCc1ccccc12)N1C[C@@H]2C[C@]2(O)C1
282121760	ZINC000248965100	low	5.86	-44.41	1	324.396	1.256	2	3	6	CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1C[C@H](C)O[C@@H](CO)C1
365630876	ZINC000641596637	ref	1.67	-12.86	0	270.354	1.049	1	4	7	COC[C@H](C)S(=O)(=O)NC/C=C/c1cccnc1
187168607	ZINC000125070621	low	7.98	-34.34	1	286.47	2.807	2	5	10	CSCCCNc1cc(NCCCSC)[nH+]cn1
230723333	ZINC000414272824	ref	7.08	-49.25	1	315.392	3.108	1	3	5	C[C@@H]1O[C@H](C)C[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)c1cnccn1
342087418	ZINC000625366901	ref	2.75	-17.03	0	276.311	1.945	2	3	3	C[C@@H]1C[C@@H](O)CN1CC(=O)c1c[nH]c2ccc(F)cc12
349534223	ZINC000618811009	ref	2.91	-13.47	0	296.396	1.392	1	5	5	CSCCNC(=O)N1CCC(Oc2cnccn2)CC1
342087419	ZINC000625366901	mid	4.62	-47.16	1	276.311	1.945	3	2	3	C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
365630882	ZINC000641596023	ref	3.2	-12.1	0	281.381	1.413	1	3	5	C[C@@H]1CCCN1S(=O)(=O)NC/C=C/c1cccnc1
230723336	ZINC000414272824	mid	5.9	-7.53	0	315.392	3.108	1	4	5	C[C@@H]1O[C@H](C)C[C@@H]1CN[C@H](c1ccc(F)cc1)c1cnccn1
365639052	ZINC000625088453	mid	4.7	-38.67	1	306.454	2.429	1	4	8	CCCC[N@@H+](C)CC1CCN(Cc2cncc(OC)n2)CC1
342087420	ZINC000625366901	mid	5.04	-47.95	1	276.311	1.945	3	2	3	C[C@@H]1C[C@@H](O)C[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
187168609	ZINC000125072520	ref	0.76	-21.17	0	258.328	0.797	1	6	4	CCc1nnc(CS(=O)(=O)c2nccs2)[nH]1
187168610	ZINC000125072520	mid	0.39	-17.81	0	258.328	0.797	1	6	4	CCc1nc(CS(=O)(=O)c2nccs2)n[nH]1
342087421	ZINC000625364007	ref	-1.31	-9.32	0	267.31	1.632	1	6	5	CCc1nc(CNC(=O)c2coc(OC)n2)cs1
342087422	ZINC000625367632	ref	1.11	-11.8	0	274.276	1.521	1	5	3	C[C@]1(C(=O)NCc2cocn2)COc2ccccc2O1
342087423	ZINC000625367275	ref	6.94	-40.29	1	289.383	1.313	1	4	3	O=C(c1cn(C2CC2)nn1)N1CC[C@@H]([NH+]2CCCCC2)C1
214182224	ZINC000053420581	high	5.05	-17.58	0	332.448	1.998	2	4	6	CC(C)CN1CCN(CCC(=O)NC(=O)Nc2ccccc2)CC1
398248053	ZINC000651458235	ref	5.93	-6.52	0	293.317	3.135	1	4	6	C[C@@H](COCC1CC1)Nc1cnc2cc(F)c(F)cc2n1
398248057	ZINC000651457919	ref	7.56	-8.21	0	250.386	3.149	1	1	2	CC[C@@H]1[C@H](C)CCN1C(=O)NC1CC2(CCC2)C1
398248059	ZINC000651458012	ref	6.59	-4.83	0	274.286	3.327	1	3	6	C[C@@H](COCC1CC1)Nc1ccc(C(F)(F)F)cn1
214182237	ZINC000053424401	ref	3.44	-16.18	0	326.422	1.292	0	6	5	Cc1noc(C)c1S(=O)(=O)N1CCCN(CCCC#N)CC1
214182241	ZINC000053424401	low	5.76	-61.11	1	326.422	1.292	1	5	5	Cc1noc(C)c1S(=O)(=O)N1CCC[N@H+](CCCC#N)CC1
214182246	ZINC000053424401	low	5.87	-59.7	1	326.422	1.292	1	5	5	Cc1noc(C)c1S(=O)(=O)N1CCC[N@@H+](CCCC#N)CC1
214182250	ZINC000053418802	ref	3.66	-17.35	0	337.445	1.958	2	3	7	CC(C)N(CCCNC(=O)c1ccc2cc[nH]c2c1)S(C)(=O)=O
342087424	ZINC000625367275	high	4.8	-8.6	0	289.383	1.313	0	5	3	O=C(c1cn(C2CC2)nn1)N1CC[C@@H](N2CCCCC2)C1
342087425	ZINC000625367125	ref	6.92	-14.14	0	287.338	1.786	0	4	2	Cc1ccc(CN2CCc3c(ncn(C)c3=O)C2)cc1F
342087426	ZINC000625367125	low	9.59	-50.42	1	287.338	1.786	1	3	2	Cc1ccc(C[N@H+]2CCc3c(ncn(C)c3=O)C2)cc1F
214182255	ZINC000053421618	ref	3.17	-17.44	0	349.399	2.306	0	5	9	COc1cc(CN(CCS(C)(=O)=O)C2CC2)ccc1OC(F)F
214182259	ZINC000053421618	low	5.49	-53.46	1	349.399	2.306	1	4	9	COc1cc(C[N@H+](CCS(C)(=O)=O)C2CC2)ccc1OC(F)F
214182262	ZINC000053421618	low	5.41	-55.58	1	349.399	2.306	1	4	9	COc1cc(C[N@@H+](CCS(C)(=O)=O)C2CC2)ccc1OC(F)F
214182264	ZINC000053433722	ref	3.12	-8.92	0	337.395	1.003	1	4	4	COc1ccc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)cc1F
214182268	ZINC000053433808	ref	5.13	-6.57	0	347.459	1.351	1	4	5	Cc1cccc(C)c1OCCN1CCN(C(=O)C(=O)NC(C)C)CC1
214182271	ZINC000053433808	low	7.57	-40.82	1	347.459	1.351	2	3	5	Cc1cccc(C)c1OCC[NH+]1CCN(C(=O)C(=O)NC(C)C)CC1
214182275	ZINC000053420536	ref	7.4	-36.15	1	334.504	2.823	2	3	8	CC(C)C[NH+]1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1
262838555	ZINC000035100829	ref	-2.02	-9.64	0	202.254	-0.744	3	3	5	CC(=O)N[C@@H](C(=O)NCCO)C(C)C
178305752	ZINC000069076960	low	7.93	-111.97	2	229.327	2.39	1	1	3	Cc1cc2[nH+]cn(C[C@@H]([NH3+])C3CC3)c2cc1C
230723308	ZINC000450364058	ref	7.3	-14.29	0	301.306	1.283	1	6	4	C[C@@H]1C[C@@H]1N1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CC1=O
230723311	ZINC000450363476	ref	4.92	-8.66	0	322.292	1.929	1	6	6	CCOC(=O)c1cc(C(=O)NCc2cc(F)cc(OC)c2)on1
365630863	ZINC000617415071	mid	6.54	-50.37	1	281.4	0.701	2	2	4	CC(C)CN1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O
365630867	ZINC000617415071	high	3.65	-11.63	0	281.4	0.701	1	3	4	CC(C)CN1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O
342087427	ZINC000625367125	low	9.59	-49.64	1	287.338	1.786	1	3	2	Cc1ccc(C[N@@H+]2CCc3c(ncn(C)c3=O)C2)cc1F
342087428	ZINC000625367362	ref	3.36	-10.96	0	261.387	1.545	1	3	8	CCOC[C@@H](C)CS(=O)(=O)NCC1CC=CC1
342087429	ZINC000625367778	ref	2.51	-13.89	0	292.364	1.213	1	5	4	Cn1nnc2cc(S(=O)(=O)NCC3CC=CC3)ccc21
136229034	ZINC000232465928	ref	5.56	-33.95	1	216.328	2.016	2	1	3	c1ccc2c(c1)CC[C@@H]2NC[C@H]1CCC[NH2+]1
365630874	ZINC000617413803	ref	3.39	-50.57	1	289.335	0.841	3	3	2	C[N@@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1
365630881	ZINC000617413803	mid	3.91	-54.1	1	289.335	0.841	3	3	2	C[N@H+]1CCC[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1
365630887	ZINC000617413803	mid	1.03	-13.84	0	289.335	0.841	2	4	2	CN1CCC[C@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1
365630894	ZINC000617411588	ref	3.49	-46.54	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[N@H+](C)C1
299072129	ZINC000459274527	ref	3.43	-12.59	0	314.323	2.514	3	2	6	CC[C@@H](NC(=O)NC1CCC(C(F)F)CC1)[C@H](O)C(F)F
299072131	ZINC000459273933	ref	4.21	-8.95	0	304.381	2.661	3	2	5	O=C(NC1CCC(C(F)F)CC1)N[C@@H](CO)C1CCCC1
365630904	ZINC000617411588	mid	4.01	-47.93	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[N@@H+](C)C1
299072136	ZINC000459274476	ref	5.74	-11.4	0	312.369	2.993	2	3	4	COc1ccc(NC(=O)N[C@@H]2Cc3cccc(OC)c3C2)cc1
136229035	ZINC000232465928	low	6.69	-117.62	2	216.328	2.016	2	0	3	c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1
365630907	ZINC000617411588	mid	1.13	-10.95	0	279.34	0.608	2	4	4	C[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCN(C)C1
365630913	ZINC000617414976	ref	8.52	-51.94	1	286.339	0.486	2	5	3	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C1
342087430	ZINC000625364193	ref	3.67	-15.01	0	264.297	1.91	1	4	6	Cc1nc([C@H](C)NC(=O)COCC(F)F)cs1
365630919	ZINC000617414976	mid	7.99	-49.17	1	286.339	0.486	2	5	3	C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C1
365630925	ZINC000617414976	mid	5.63	-11.69	0	286.339	0.486	1	6	3	CN1CCC[C@@H](NC(=O)c2ccc(-n3cncn3)nc2)C1
282121761	ZINC000449151967	high	6.58	-9.04	0	294.439	2.325	1	3	6	C[C@@H](NC1CC1)C(=O)N1CCC(OCC2CCCC2)CC1
282121764	ZINC000449151783	ref	8.12	-15.42	0	298.39	2.009	0	4	4	CN(CCc1ccccn1)C(=O)c1nn(C)c2c1CCCC2
365630864	ZINC000274347891	ref	3.79	-12.9	0	285.365	1.211	0	4	6	CN(CCC1OCCO1)S(=O)(=O)Cc1ccccc1
342594464	ZINC000616961120	ref	2.06	-17.61	0	274.654	1.237	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(F)c(Cl)cc1F
365630873	ZINC000274347696	ref	2.24	-12.6	0	295.408	1.385	0	5	3	C[C@@H](c1nccs1)N1CCN(C(=O)C2(C)COC2)CC1
365630883	ZINC000274347233	ref	2.95	-10.5	0	264.329	1.183	2	3	2	Cc1n[nH]cc1CNC(=O)N1CCOC2(CCC2)C1
365630888	ZINC000274347233	mid	2.89	-10.16	0	264.329	1.183	2	3	2	Cc1[nH]ncc1CNC(=O)N1CCOC2(CCC2)C1
197590846	ZINC000162781623	ref	6.22	-17.72	0	315.417	2.743	2	3	6	O=C(CCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1)Nc1ccncc1
230723343	ZINC000425412928	ref	8.39	-35.26	1	305.418	2.426	2	3	6	COC(=O)[C@@H](CC[NH+]1CCC([C@H](C)O)CC1)c1ccccc1
306234626	ZINC000557902603	ref	3.5	-13.38	0	327.45	1.351	2	3	4	O=C(N[C@H]1C=CCCC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1
230723346	ZINC000425412928	high	6.09	-6.54	0	305.418	2.426	1	4	6	COC(=O)[C@@H](CCN1CCC([C@H](C)O)CC1)c1ccccc1
365630896	ZINC000528817459	ref	5.75	-12.8	0	285.409	1.314	0	3	2	C[C@@H]1[C@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)[C@H]1C1CC1
365630914	ZINC000274347694	ref	2.09	-11.03	0	295.408	1.385	0	5	3	C[C@H](c1nccs1)N1CCN(C(=O)C2(C)COC2)CC1
365630921	ZINC000274346729	ref	0.48	-14.19	0	277.324	1.256	3	4	5	CC[C@H](Nc1cc2c(cc1OC)CCC(=O)N2)C(N)=O
365630927	ZINC000274348634	ref	3.48	-15.76	0	293.396	1.723	2	5	9	O=C(CCCCc1c[nH]nn1)NCCCc1nccs1
365630932	ZINC000274348634	mid	3.4	-12.43	0	293.396	1.723	2	5	9	O=C(CCCCc1cn[nH]n1)NCCCc1nccs1
365630937	ZINC000274345620	ref	3.76	-11.92	0	283.393	1.705	1	3	6	CCc1ccc(CS(=O)(=O)NC[C@@H]2CCOC2)cc1
365630946	ZINC000274348819	ref	5.96	-42.29	1	272.356	1.844	2	4	3	Cc1nnc([C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)[nH]1
365630948	ZINC000274348819	mid	6.42	-46.38	1	272.356	1.844	2	4	3	Cc1nnc([C@@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)[nH]1
365630951	ZINC000274348819	mid	5.54	-40.28	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n1
342594465	ZINC000616961107	ref	2.6	-16.95	0	297.152	1.376	2	2	2	Cc1cc(C(=O)N[C@@H]2CCNC2=O)ccc1Br
365630955	ZINC000274348819	mid	6.01	-43.22	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)n1
214182228	ZINC000337618276	ref	-0.29	-22.88	0	273.333	-0.613	2	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCCN1C(N)=O
178299425	ZINC000237129625	ref	3.91	-45.78	1	353.488	1.365	2	3	6	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C[NH2+]C)C2)c1
178299426	ZINC000237135135	ref	1.68	-62.64	1	357.451	1.371	3	3	6	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1
214182231	ZINC000337618678	ref	-1.03	-50.13	1	295.405	-0.969	4	4	7	C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@](C)(O)C[NH+](C)C
214182233	ZINC000337618678	mid	-2.93	-19.31	0	295.405	-0.969	3	5	7	C[C@@H](CS(C)(=O)=O)NC(=O)NC[C@](C)(O)CN(C)C
214182236	ZINC000337620087	ref	7.26	-8.01	0	285.391	2.484	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CCCC12CCC2
343993564	ZINC000599268044	high	3.79	-6.32	0	251.33	1.741	0	5	6	CCN(Cc1cnc(C(=O)OC)cn1)CC(C)C
214182242	ZINC000337617523	ref	11.32	-42.22	1	257.381	3.493	1	2	6	CCC[C@H](C)[N@H+](C)Cc1ccc(-n2ccnc2)cc1
214182245	ZINC000337617523	mid	11.33	-42.83	1	257.381	3.493	1	2	6	CCC[C@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1
214182248	ZINC000337617523	low	11.83	-81.05	2	257.381	3.493	1	1	6	CCC[C@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1
214182249	ZINC000337617523	low	11.85	-81.64	2	257.381	3.493	1	1	6	CCC[C@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1
214182253	ZINC000337616054	ref	4.6	-6.85	0	298.355	3.035	1	4	6	CCSCCCNC(=O)c1csc(C(F)(F)F)n1
178299428	ZINC000237134470	ref	1.76	-55.51	1	357.451	1.515	3	3	6	CCNS(=O)(=O)c1ccc(F)c(C(=O)NCC2([NH3+])CCCCC2)c1
214182257	ZINC000337618540	ref	5.76	-15.1	0	283.196	3.142	1	2	5	O=C(COCC(F)(F)F)Nc1cccc(C(F)F)c1
361823218	ZINC000035792904	ref	1.5	-8.62	0	276.258	2.11	2	2	5	C[C@@H]([NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1)C(N)=O
361823225	ZINC000035792904	mid	1.5	-8.62	0	276.258	2.11	2	3	5	C[C@@H](N[C@H](C)c1ccc(OC(F)(F)F)cc1)C(N)=O
361823235	ZINC000035792924	ref	2.75	-10.31	0	260.259	2.23	2	1	4	C[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(C(F)(F)F)cc1
361823241	ZINC000035792924	mid	2.75	-10.31	0	260.259	2.23	2	2	4	C[C@H](N[C@H](C)C(N)=O)c1ccc(C(F)(F)F)cc1
361823246	ZINC000035781233	ref	4.3	-14.63	0	256.309	2.123	2	4	3	CCn1cc(NC(=O)c2ccc3c(c2)CCN3)cn1
361823254	ZINC000035883940	ref	7.44	-10.73	0	286.375	2.183	1	2	4	Cc1ccc(N2CC[C@@H](C(=O)NCC3CC3)C2=O)cc1C
361823260	ZINC000035844246	ref	7.27	-45.31	1	290.363	2.21	1	4	7	COC(CN(C)CC(=O)c1c[nH]c2ccc(C)cc12)OC
361823280	ZINC000035844246	low	7.24	-45.42	1	290.363	2.21	2	3	7	COC(C[N@H+](C)CC(=O)c1c[nH]c2ccc(C)cc12)OC
230723354	ZINC000450361979	ref	9.46	-12.82	0	319.368	1.917	1	5	4	N#Cc1ccnc(N[C@@H]2CC(=O)N([C@H]3C[C@@H]3c3ccccc3)C2)n1
230723358	ZINC000450361982	ref	10.03	-14.75	0	319.368	1.917	1	5	4	N#Cc1ccnc(N[C@@H]2CC(=O)N([C@H]3C[C@H]3c3ccccc3)C2)n1
187168611	ZINC000125075224	ref	8.67	-9.93	0	283.371	3.714	1	2	4	Cc1ccc(CCC(=O)N[C@@H]2CCCc3occc32)cc1
323004371	ZINC000561583028	ref	3.89	-8.65	0	219.35	1.357	1	3	6	CCN(C(=O)CSC(C)C)[C@@H](C)CO
230723361	ZINC000450364053	ref	7.2	-14.76	0	301.306	1.283	1	6	4	C[C@@H]1C[C@H]1N1C[C@@H](Nc2ncc(C#N)cc2[N+](=O)[O-])CC1=O
365630865	ZINC000172880593	ref	-0.98	-39.4	-1	270.314	1.451	0	6	4	CC(C)c1noc([C@@H](C)S(=O)(=O)c2ncc[n-]2)n1
197590847	ZINC000290090722	ref	3.84	-8.11	0	259.3	1.932	0	4	3	CC(C)n1cc(CN2CCOCC(F)(F)C2)cn1
342594466	ZINC000616960996	ref	2.45	-21.55	0	288.225	1.204	2	3	3	O=C(N[C@@H]1CCNC1=O)c1ccccc1OC(F)(F)F
349534224	ZINC000594968518	ref	8.35	-48.86	1	265.426	2.696	1	3	9	C=CCCSCC[NH2+]Cc1c(C2CC2)cnn1C
190493112	ZINC000269427529	ref	7.1	-47.52	1	250.317	2.458	1	2	6	CO[C@H](C[NH2+]Cc1ccc(C#N)cc1F)C(C)C
342594467	ZINC000616960915	ref	4.58	-18.53	0	292.766	1.667	2	2	4	O=C1NCC[C@@H]1NC(=O)C1(Cc2ccc(Cl)cc2)CC1
365630869	ZINC000172880593	mid	-0.51	-16.47	0	270.314	1.451	1	6	4	CC(C)c1noc([C@@H](C)S(=O)(=O)c2ncc[nH]2)n1
190493113	ZINC000269427529	high	5.75	-5.78	0	250.317	2.458	1	3	6	CO[C@H](CNCc1ccc(C#N)cc1F)C(C)C
190493114	ZINC000269425535	ref	3.45	-11.19	0	275.308	1.696	1	5	5	CO[C@@H](C)C(=O)NCc1noc(-c2ccccc2C)n1
349534229	ZINC000594968518	high	6.99	-5.2	0	265.426	2.696	1	4	9	C=CCCSCCNCc1c(C2CC2)cnn1C
349534233	ZINC000594967719	ref	5.95	-57.34	1	290.432	2.947	2	1	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3ccccc3[nH]2)C1
342594468	ZINC000616961200	ref	3.77	-18.8	0	282.29	1.292	2	2	5	O=C(CCCc1cc(F)ccc1F)N[C@@H]1CCNC1=O
230723370	ZINC000450363278	ref	7.0	-35.68	1	313.405	1.715	1	4	4	CCc1cc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)cc[nH+]1
342594469	ZINC000616960952	ref	2.64	-18.82	0	268.263	1.073	2	2	3	C[C@@H](C(=O)N[C@H]1CCNC1=O)c1c(F)cccc1F
349534237	ZINC000594967565	ref	6.05	-45.47	1	295.448	2.783	1	2	5	COc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
342594470	ZINC000616960950	ref	2.65	-18.48	0	268.263	1.073	2	2	3	C[C@@H](C(=O)N[C@@H]1CCNC1=O)c1c(F)cccc1F
365630875	ZINC000172880598	ref	-0.91	-39.44	-1	270.314	1.451	0	6	4	CC(C)c1noc([C@H](C)S(=O)(=O)c2ncc[n-]2)n1
342087431	ZINC000625367645	ref	7.76	-48.11	1	290.411	1.912	1	3	3	CCn1cc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(C)n1
365630877	ZINC000122715013	mid	7.73	-98.68	2	267.461	2.038	2	1	5	CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)CC1
214182238	ZINC000278482677	ref	5.37	-13.04	0	309.387	2.955	0	5	4	CC(C)(C)c1cc(COc2ccc(S(C)(=O)=O)cc2)no1
214182240	ZINC000278482624	ref	5.57	-10.59	0	302.403	2.795	2	5	4	Cc1ccc(NC(=O)[C@H](C)Sc2nccnc2N)c(C)c1
214182243	ZINC000278480460	ref	6.44	-12.8	0	308.397	3.225	2	2	7	O=C(NCCCCCCO)N1CCC[C@H]1c1ccc(F)cc1
214182247	ZINC000278481264	ref	4.46	-13.62	0	321.377	2.669	0	5	3	Cc1ncc(C(=O)N2CCC(Oc3ncccc3F)CC2)s1
214182251	ZINC000278482055	ref	5.74	-50.37	1	308.319	2.808	1	2	8	CCOc1ccc(C[NH2+]CCN(C)CC(F)(F)F)cc1F
214182252	ZINC000278482055	high	4.38	-8.4	0	308.319	2.808	1	3	8	CCOc1ccc(CNCCN(C)CC(F)(F)F)cc1F
214182256	ZINC000278480462	ref	6.46	-12.8	0	308.397	3.225	2	2	7	O=C(NCCCCCCO)N1CCC[C@@H]1c1ccc(F)cc1
214182258	ZINC000278482219	ref	5.7	-16.63	0	313.488	2.747	1	4	8	COCC[S@](=O)Cc1cccc(NC[C@@H]2CCSC2)c1
214182261	ZINC000278480809	ref	8.51	-8.94	0	316.302	3.014	0	4	6	C[C@@H](c1c(F)cccc1F)N(C)Cc1ncnn1CC(F)F
214182265	ZINC000278480876	ref	3.67	-8.49	0	319.38	2.392	1	5	5	C[C@H](O)C1CCN(Cc2nc(Cc3cccc(F)c3)no2)CC1
178299429	ZINC000237125024	ref	5.62	-52.77	1	373.478	1.916	1	3	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H]([NH3+])c1ccccc1)CC2
342087432	ZINC000625367645	high	5.63	-13.17	0	290.411	1.912	0	4	3	CCn1cc(C(=O)N2CC[C@@H](N3CCCCC3)C2)c(C)n1
214182269	ZINC000278480876	low	6.08	-47.56	1	319.38	2.392	2	4	5	C[C@H](O)C1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1
214182273	ZINC000278481078	ref	7.56	-7.44	0	305.422	2.736	0	4	6	C=CC[C@H]1N(C(=O)c2ccn(CCOC)n2)CCCC1(C)C
230723372	ZINC000414271573	ref	5.53	-55.37	1	316.323	3.257	2	2	5	C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)CC(F)(F)F
214182274	ZINC000278481236	ref	7.28	-12.34	0	314.36	3.213	0	3	3	Cc1ccccc1C(=O)N1CCC(Oc2ncccc2F)CC1
214182277	ZINC000278480442	ref	4.49	-15.55	0	305.783	1.713	1	4	7	CC(=O)OCCCS(=O)(=O)NCc1ccc(Cl)cc1
342087433	ZINC000625364145	ref	5.38	-13.35	0	265.357	1.71	0	4	4	CCn1cc(C(=O)N(C)C[C@H]2CCCOC2)c(C)n1
282123623	ZINC000151697082	ref	6.89	-39.48	1	309.498	2.345	2	2	5	C[C@@H](CNC(=O)C[C@@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1
230723373	ZINC000450363278	high	6.65	-16.04	0	313.405	1.715	1	5	4	CCc1cc(N[C@H]2CCCN(c3cc(C)nn3C)C2=O)ccn1
365630879	ZINC000172880598	mid	-0.42	-15.66	0	270.314	1.451	1	6	4	CC(C)c1noc([C@H](C)S(=O)(=O)c2ncc[nH]2)n1
365630885	ZINC000172880900	ref	0.38	-45.52	-1	257.34	1.402	0	5	4	CCc1nc(CS(=O)(=O)c2ncc[n-]2)cs1
365630890	ZINC000172880900	mid	0.88	-15.93	0	257.34	1.402	1	5	4	CCc1nc(CS(=O)(=O)c2ncc[nH]2)cs1
178299432	ZINC000237125024	high	5.3	-18.78	0	373.478	1.916	1	4	5	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H](N)c1ccccc1)CC2
178299434	ZINC000237133115	ref	3.71	-52.32	1	357.451	1.095	2	3	7	C[NH2+]CCCC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
214182244	ZINC000293549712	ref	-0.35	-13.71	0	362.386	0.534	3	7	6	COc1cc(NC(=O)C(=O)NC[C@H](O)c2cnn(C)c2)cc(OC)c1C
178299436	ZINC000237131805	ref	5.87	-53.51	1	359.47	1.525	2	3	8	CCc1ccc(C(=O)CCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1
365630892	ZINC000565352680	ref	4.7	-58.85	1	292.339	1.474	2	3	4	C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc([N+](=O)[O-])c2)C1
342594471	ZINC000616960879	ref	3.13	-19.12	0	266.728	1.575	2	2	2	Cc1cc(Cl)c(C(=O)N[C@H]2CCNC2=O)cc1C
365630899	ZINC000643091676	ref	1.67	-11.3	0	276.336	1.58	3	3	4	C[C@H]1Oc2ccccc2[C@@H]1NC(=O)NCC1(CO)CC1
178299439	ZINC000237125476	ref	4.81	-56.34	1	351.472	1.358	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@]1(C)CCCC[NH2+]1)CC2
365630902	ZINC000172879385	ref	3.08	-10.26	0	292.379	1.163	0	4	5	COC[C@@H]1CN([C@H](C(=O)N(C)C)c2ccccc2)CCO1
230723394	ZINC000450361725	ref	5.59	-26.65	0	312.347	1.243	1	6	5	COC(=O)Cc1ccc(N[C@H]2CC[S@@](=O)C2)c([N+](=O)[O-])c1
365630906	ZINC000172879385	low	5.89	-35.57	1	292.379	1.163	1	3	5	COC[C@@H]1C[N@@H+]([C@H](C(=O)N(C)C)c2ccccc2)CCO1
365630910	ZINC000172879385	low	5.92	-35.76	1	292.379	1.163	1	3	5	COC[C@@H]1C[N@H+]([C@H](C(=O)N(C)C)c2ccccc2)CCO1
365630915	ZINC000172878193	ref	2.29	-11.39	0	278.352	1.492	1	4	5	COC[C@@H]1CN(Cc2cccc(NC(C)=O)c2)CCO1
178299442	ZINC000237125476	high	3.75	-18.34	0	351.472	1.358	1	4	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@]1(C)CCCCN1)CC2
178299444	ZINC000237138220	ref	5.93	-56.26	1	355.385	1.572	1	3	7	C[NH2+]CCCC(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
178299449	ZINC000237125942	ref	5.01	-58.41	1	351.472	1.358	1	3	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@]1(C)CCCC[NH2+]1)CC2
365630920	ZINC000172878193	low	4.73	-49.09	1	278.352	1.492	2	3	5	COC[C@@H]1C[N@H+](Cc2cccc(NC(C)=O)c2)CCO1
342594472	ZINC000194361199	ref	5.03	-19.12	0	299.33	1.833	2	4	5	COc1cccc(C2=NO[C@H](C(=O)NCc3ccc[nH]3)C2)c1
365630880	ZINC000625059867	ref	8.65	-10.13	0	315.421	2.469	0	6	6	CC(C)Cn1c(-c2ccccn2)nnc1N(C)CC1(C)COC1
365630889	ZINC000625062593	ref	2.96	-8.88	0	323.433	2.11	3	4	8	COc1cc(C)c(C[N@H+](C)C[C@H](O)CC2(O)CCC2)cc1OC
342594473	ZINC000624158981	ref	5.01	-8.94	0	292.383	1.938	1	5	6	C[C@H]1CCCC[C@H]1OCCNC(=O)c1cn(C2CC2)nn1
365630891	ZINC000625062593	mid	5.35	-44.95	1	323.433	2.11	3	4	8	COc1cc(C)c(C[N@@H+](C)C[C@H](O)CC2(O)CCC2)cc1OC
398248054	ZINC000649442349	ref	7.73	-8.26	0	242.322	3.109	0	3	1	Cc1nn(C)cc1-c1ccc2c(c1)CC(C)(C)O2
230723383	ZINC000425411554	ref	4.86	-37.44	1	300.353	2.458	1	4	4	FC(F)c1noc(CN2CCC([NH+]3CCCCC3)CC2)n1
365630897	ZINC000625062593	high	2.96	-8.88	0	323.433	2.11	2	5	8	COc1cc(C)c(CN(C)C[C@H](O)CC2(O)CCC2)cc1OC
365630900	ZINC000625060662	ref	5.22	-11.01	0	307.481	2.007	1	4	8	CCO[C@@H](CS(=O)(=O)NC[C@]1(C)CCCS1)C1CC1
197590853	ZINC000162783000	ref	7.03	-13.99	0	301.39	2.891	1	4	5	Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(N(C)C)c1
365630905	ZINC000625060852	ref	1.05	-8.99	0	303.362	2.134	0	6	7	COc1ccc(CN(C)Cc2cncc(OC)n2)c(OC)c1
365630908	ZINC000625060852	low	4.18	-42.51	1	303.362	2.134	1	5	7	COc1ccc(C[N@H+](C)Cc2cncc(OC)n2)c(OC)c1
342594474	ZINC000616961255	ref	3.1	-16.18	0	252.358	1.453	2	2	2	C[C@@H]1C[C@@H](C(=O)N[C@H]2CCNC2=O)CC(C)(C)C1
365630912	ZINC000625060852	low	3.39	-42.47	1	303.362	2.134	1	5	7	COc1ccc(C[N@@H+](C)Cc2cncc(OC)n2)c(OC)c1
365630918	ZINC000625062210	ref	4.09	-48.71	-1	305.334	2.029	1	5	6	CCO[C@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C(C)C
342594475	ZINC000616960972	ref	5.59	-16.16	0	288.391	1.822	2	2	6	CC(C)Cc1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1
365630923	ZINC000625062210	low	4.21	-22.69	0	305.334	2.029	2	5	6	CCO[C@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)C(C)C
342594476	ZINC000616961127	ref	3.88	-17.35	0	278.739	1.374	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@H]1CCc2c(Cl)cccc21
342594477	ZINC000616962770	ref	2.62	-18.9	0	276.336	1.193	2	3	5	COc1cccc([C@@H](C)CC(=O)N[C@H]2CCNC2=O)c1
212164613	ZINC000335488537	ref	1.78	-17.58	0	259.256	0.109	1	4	3	Cc1nn(C)cc1CC(=O)N1CC(O)(C(F)F)C1
230723405	ZINC000425415526	ref	2.69	-10.26	0	318.402	2.207	2	5	6	COc1ccnc(CNC(=O)NCc2ccc(SC)cc2)n1
342087434	ZINC000625367049	ref	1.75	-6.23	0	262.687	1.937	1	3	2	O[C@H]1CN(Cc2ncccc2Cl)CC(F)(F)C1
398248055	ZINC000649442337	ref	4.2	-8.11	0	216.284	1.93	1	3	3	Cc1nn(C)cc1-c1ccccc1CCO
342087435	ZINC000625367679	ref	3.55	-11.33	0	261.387	1.543	1	3	7	CO[C@H](CS(=O)(=O)NCC1CC=CC1)C(C)C
214182254	ZINC000293555642	ref	1.62	-22.67	0	355.46	0.905	3	4	7	CNC(=O)NCCC(=O)N[C@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O
190493118	ZINC000269423050	ref	4.94	-11.26	0	293.363	2.668	2	3	5	C[C@H](NC(=O)Cc1cccs1)[C@H](O)c1cccc(F)c1
214182260	ZINC000293554718	ref	8.44	-18.05	0	373.409	0.79	1	7	9	COC(=O)[C@H](CNC(=O)CCn1cnccc1=O)Cc1ccccc1OC
349534225	ZINC000602428963	ref	7.4	-34.17	1	243.347	1.829	1	3	6	CCC[C@@H](C[N@@H+]1CCCC[C@H]1C(=O)OC)OC
349534228	ZINC000602428963	mid	7.12	-30.75	1	243.347	1.829	1	3	6	CCC[C@@H](C[N@H+]1CCCC[C@H]1C(=O)OC)OC
342087436	ZINC000625367518	ref	2.98	-43.59	1	253.317	1.309	3	2	3	Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H](O)C2)cc1F
282123620	ZINC000449156228	ref	7.0	-43.11	1	250.317	2.103	1	1	4	CCC[NH2+][C@@H](C)C(=O)N1CCc2cccc(F)c21
342087437	ZINC000625367518	mid	2.88	-43.77	1	253.317	1.309	3	2	3	Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1F
214182270	ZINC000293547679	ref	6.56	-49.18	1	363.458	0.73	3	4	8	CN(C)C(=O)COc1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1
214182279	ZINC000293547679	high	4.15	-22.34	0	363.458	0.73	2	5	8	CN(C)C(=O)COc1ccccc1C(=O)N[C@@H](CO)CN1CCCCC1
136229036	ZINC000232473824	ref	4.37	-42.57	1	217.272	1.992	2	3	3	c1cc2occc2c(NC[C@@H]2CCC[NH2+]2)n1
136229037	ZINC000184902041	ref	8.97	-9.8	0	239.658	3.04	0	3	4	CC#CCCOc1c(Cl)cccc1[N+](=O)[O-]
214182283	ZINC000293540484	ref	3.42	-25.5	0	374.445	0.398	3	5	6	CNC(=O)NCCC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
190493122	ZINC000269426311	ref	5.81	-16.08	0	280.412	2.4	2	2	5	C=CC(=O)NCCC(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C
398248056	ZINC000649442596	ref	6.35	-7.27	0	234.274	2.681	0	3	3	COCc1ccc(-c2cn(C)nc2C)cc1F
214182290	ZINC000293541560	ref	5.47	-18.18	0	366.399	0.416	0	8	5	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCn3cnnc3C2)c1
349534231	ZINC000602428963	mid	5.59	-6.31	0	243.347	1.829	0	4	6	CCC[C@@H](CN1CCCC[C@H]1C(=O)OC)OC
349534235	ZINC000602429650	ref	5.78	-42.97	1	212.249	1.301	1	4	4	COC(=O)c1cc(C[N@H+](C)C(C)C)on1
349534239	ZINC000602429650	mid	5.83	-42.85	1	212.249	1.301	1	4	4	COC(=O)c1cc(C[N@@H+](C)C(C)C)on1
349534242	ZINC000602429650	mid	3.56	-6.19	0	212.249	1.301	0	5	4	COC(=O)c1cc(CN(C)C(C)C)on1
343993567	ZINC000248507947	ref	5.55	-40.7	1	299.459	1.908	3	2	4	CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CC[N@@H+]1C[C@@H](C)O
365630884	ZINC000122690268	ref	9.01	-9.5	0	269.385	2.47	0	3	7	CC[C@@]1(C)C[C@H]1C(=O)N(CCC(=O)OC)CC(C)C
365630895	ZINC000122664951	ref	3.78	-6.13	0	291.301	2.4	1	4	1	OC1C[C@@H]2CC[C@H](C1)N2c1cnc2cc(F)c(F)cc2n1
192037541	ZINC000273075051	mid	4.57	-38.32	1	297.424	1.597	2	4	5	Cc1cnc([C@H](C)NC(=O)[C@H](C)C[NH+]2CCOCC2)s1
282121762	ZINC000248965100	low	5.88	-43.99	1	324.396	1.256	2	3	6	CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1C[C@H](C)O[C@@H](CO)C1
230723384	ZINC000414270785	ref	8.21	-46.12	1	303.45	3.056	1	3	6	Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@@H](C2CCCC2)C2CC2)cn1
365630901	ZINC000122667669	ref	2.97	-8.99	0	263.721	2.334	1	2	4	C=C(C)CNS(=O)(=O)c1cccc(Cl)c1F
303959945	ZINC000334244400	ref	6.39	-10.38	0	274.364	2.712	1	2	2	O=C(N[C@H]1CCCOCC1)N1CC[C@@H]1c1ccccc1
365630909	ZINC000122667669	high	2.89	-45.39	-1	263.721	2.334	0	2	4	C=C(C)C[N-]S(=O)(=O)c1cccc(Cl)c1F
365630916	ZINC000122775596	ref	6.3	-6.69	0	266.385	2.245	1	2	6	C#CCN(C(=O)N[C@@H](COC)C(C)C)C1CCCC1
230723397	ZINC000414272761	ref	7.25	-46.38	1	305.447	3.3	1	4	6	CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccsc1
365630930	ZINC000122755937	ref	4.29	-9.08	0	265.269	2.299	2	4	5	C=C[C@H](C)NC(=O)Nc1ccc([N+](=O)[O-])cc1OC
365639769	ZINC000175988033	ref	7.0	-15.81	0	248.232	2.921	1	2	2	Cc1cc(C(=O)Nc2ccccn2)c(F)cc1F
230723407	ZINC000414271443	ref	7.13	-33.5	1	320.234	3.268	1	2	5	Cc1ccc(Br)c(C[NH2+][C@H](C)Cc2cnccn2)c1
230723410	ZINC000414271443	high	5.91	-5.16	0	320.234	3.268	1	3	5	Cc1ccc(Br)c(CN[C@H](C)Cc2cnccn2)c1
342087438	ZINC000625367518	mid	0.58	-6.1	0	253.317	1.309	2	3	3	Cc1ccc(CN2CC[C@@H](CO)[C@H](O)C2)cc1F
342087439	ZINC000625366920	ref	1.14	-10.78	0	268.744	1.756	2	3	2	C[C@H]1C(=O)NCCCN1Cc1cc(O)ccc1Cl
282121766	ZINC000248966057	ref	3.15	-15.95	0	312.435	1.918	1	4	6	CC(C)[C@H](CNS(=O)(=O)[C@H]1CCO[C@H]1C)c1cccnc1
282121772	ZINC000248968190	ref	4.9	-47.43	1	303.472	1.425	2	2	5	C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCC[C@H]1C
342087440	ZINC000625366920	low	2.84	-39.36	1	268.744	1.756	3	2	2	C[C@H]1C(=O)NCCC[N@H+]1Cc1cc(O)ccc1Cl
342087441	ZINC000625366920	low	2.91	-41.52	1	268.744	1.756	3	2	2	C[C@H]1C(=O)NCCC[N@@H+]1Cc1cc(O)ccc1Cl
342087442	ZINC000625366920	high	2.02	-45.64	-1	268.744	1.756	1	3	2	C[C@H]1C(=O)NCCCN1Cc1cc([O-])ccc1Cl
342087443	ZINC000625367000	ref	6.89	-42.8	1	266.385	1.498	1	2	3	COC1CC(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)C1
282121763	ZINC000533466197	low	5.31	-43.03	1	276.384	1.062	2	4	2	C[C@@H](O)[C@H]1CCCN(c2ncnc3c2C[N@H+](C)CC3)C1
282121768	ZINC000533466197	low	5.31	-42.96	1	276.384	1.062	2	4	2	C[C@@H](O)[C@H]1CCCN(c2ncnc3c2C[N@@H+](C)CC3)C1
299072130	ZINC000567661633	ref	6.8	-16.48	0	280.335	2.131	0	6	5	CCCc1nnnn1Cc1ccc(-c2ccccn2)nc1
168364613	ZINC000368500157	ref	6.0	-42.76	-1	339.802	3.024	1	4	7	CCC[C@@H](C)CC(=O)N[C@@H](c1ccc(Cl)c(F)c1)c1nnn[n-]1
214182267	ZINC000337616251	ref	6.84	-12.22	0	294.354	3.431	2	2	2	O=C(Nc1ccc2c(c1)CCO2)N[C@H]1CCc2ccccc21
342087444	ZINC000625367000	high	4.71	-10.36	0	266.385	1.498	0	3	3	COC1CC(C(=O)N2CC[C@H](N3CCCCC3)C2)C1
214182272	ZINC000337620022	ref	1.84	-8.97	0	259.346	0.659	1	4	7	CC[C@@H]1C[C@@H](C(=O)N(C)CCOCCO)CCO1
214182276	ZINC000337618981	ref	3.91	-22.66	0	286.288	-0.433	1	7	8	Cc1nc([N+](=O)[O-])cn1CC(=O)N(C)CCOCCO
365630924	ZINC000172878193	low	4.7	-49.24	1	278.352	1.492	2	3	5	COC[C@@H]1C[N@@H+](Cc2cccc(NC(C)=O)c2)CCO1
342087445	ZINC000625364194	ref	3.67	-15.02	0	264.297	1.91	1	4	6	Cc1nc([C@@H](C)NC(=O)COCC(F)F)cs1
214182280	ZINC000337615350	ref	9.17	-9.11	0	290.432	3.291	1	3	8	CCSCCCNC(=O)CCn1ccc2ccccc21
365630928	ZINC000258683202	ref	6.68	-60.54	-1	263.293	1.341	1	4	5	COc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1C
342087446	ZINC000625367100	ref	7.06	-12.08	0	291.395	1.639	0	4	3	Cc1cn2c(n1)C[C@H](C(=O)N(C)C[C@H]1CCCOC1)CC2
282121771	ZINC000533467441	ref	5.29	-10.31	0	274.299	1.412	1	5	5	Fc1cccnc1OCCNc1ncnc2c1CCC2
398248058	ZINC000649442305	ref	7.45	-7.95	0	242.322	3.066	0	3	1	Cc1nn(C)cc1-c1ccc2c(c1)C(C)(C)CO2
282121775	ZINC000533466506	ref	4.98	-6.66	0	280.372	1.784	2	4	7	CCCCNC(=O)C(=O)Nc1ccnn1CCC(C)C
342087447	ZINC000625367100	low	7.49	-33.4	1	291.395	1.639	0	3	3	Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C[C@H]1CCCOC1)CC2
342087448	ZINC000625366899	ref	2.84	-19.92	0	276.311	1.945	2	3	3	C[C@H]1C[C@@H](O)CN1CC(=O)c1c[nH]c2ccc(F)cc12
136229039	ZINC000292800721	ref	7.13	-50.19	1	248.286	1.357	2	4	7	C#CC[N@H+](C)CCCNc1ccc([N+](=O)[O-])cn1
214182291	ZINC000337616250	ref	6.4	-40.34	1	255.406	2.206	3	1	8	CC(C)CCC[C@H](C)NC(=O)NCC[NH+]1CCC1
214182293	ZINC000337616250	mid	3.2	-8.95	0	255.406	2.206	2	2	8	CC(C)CCC[C@H](C)NC(=O)NCCN1CCC1
282121780	ZINC000533465320	ref	2.02	-14.61	0	252.318	1.045	2	4	2	C[C@H](O)[C@H]1CCCN(C(=O)Nc2cnn(C)c2)C1
342594478	ZINC000616961282	ref	3.82	-15.85	0	264.369	1.598	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1
365630929	ZINC000625060182	ref	3.49	-11.08	0	319.467	2.07	1	4	7	CCOC1(CS(=O)(=O)N[C@H]2CCC[C@@H]2CC)CCOCC1
365630935	ZINC000625059031	ref	3.9	-8.33	0	319.336	2.12	1	5	3	Cc1nc(C(C)(C)NC(=O)[C@@H]2COc3cc(F)ccc3C2)no1
365630941	ZINC000625060137	ref	6.68	-10.9	0	306.316	2.459	1	4	5	CCN(Cc1c(F)cccc1F)C(=O)c1cnc(NC)cn1
365630944	ZINC000625062562	ref	3.05	-5.14	0	312.417	2.193	1	4	5	COc1cncc(CN2CCC[N@H+](Cc3ccccc3)CC2)n1
342594479	ZINC000616960863	ref	1.85	-18.86	0	262.309	1.134	3	3	3	CC(C)c1ccc(C(=O)N[C@H]2CCNC2=O)c(O)c1
365630950	ZINC000625062562	mid	4.85	-40.54	1	312.417	2.193	1	4	5	COc1cncc(CN2CCC[N@@H+](Cc3ccccc3)CC2)n1
342594480	ZINC000616960863	high	2.86	-71.07	-1	262.309	1.134	2	3	3	CC(C)c1ccc(C(=O)N[C@H]2CCNC2=O)c([O-])c1
342594481	ZINC000616961116	ref	4.42	-17.92	0	274.364	1.531	2	2	3	CC(C)(C)c1ccc(CC(=O)N[C@H]2CCNC2=O)cc1
342594482	ZINC000616960787	ref	0.19	-48.34	-1	289.118	1.317	2	3	2	O=C(N[C@H]1CCNC1=O)c1c([O-])cc(Cl)cc1Cl
168364615	ZINC000368500157	mid	5.98	-42.77	-1	339.802	3.024	1	4	7	CCC[C@@H](C)CC(=O)N[C@@H](c1ccc(Cl)c(F)c1)c1nn[n-]n1
365630971	ZINC000625062562	high	3.05	-5.14	0	312.417	2.193	0	5	5	COc1cncc(CN2CCCN(Cc3ccccc3)CC2)n1
365630977	ZINC000625063002	ref	3.37	-11.06	0	314.451	2.378	1	4	9	CCOc1cccc(CCNS(=O)(=O)CC(C)(C)CC)n1
365630986	ZINC000625061277	ref	5.23	-12.07	0	307.362	2.319	0	3	5	COC(C)(C)CN(C)S(=O)(=O)c1ccc(C)c(F)c1F
365630993	ZINC000625059239	ref	8.07	-39.14	1	317.477	2.357	2	2	5	CC(C)(C)CNC(=O)CN1CCC[N@H+](Cc2ccccc2)CC1
365630999	ZINC000625059239	mid	7.92	-33.5	1	317.477	2.357	2	2	5	CC(C)(C)CNC(=O)CN1CCC[N@@H+](Cc2ccccc2)CC1
187168615	ZINC000125073667	ref	7.42	-14.08	0	297.424	2.369	1	4	4	Cc1noc(C)c1C[C@@H](C)NC(=O)N(C)[C@@H]1CCSC1
230723438	ZINC000425415678	ref	3.63	-20.86	0	312.435	2.18	2	3	7	Cc1ccc([C@H](C)NC(=O)NCCCCS(C)(=O)=O)cc1
187168616	ZINC000125078441	ref	-0.91	-8.72	0	287.404	0.556	3	4	6	C[C@H]1CN(C(C)(C)CNC(=O)NCCCO)C[C@H](C)O1
365639779	ZINC000576615470	ref	1.4	-43.35	1	237.303	-0.619	3	2	4	O=C(NCC1(C2CC2)CC1)C(=O)NC1C[NH2+]C1
192037542	ZINC000418463030	ref	4.6	-36.3	1	241.379	1.944	2	1	5	CCCC[C@H](C[NH3+])NC(=O)N1CC[C@@H](C)[C@@H]1C
342594483	ZINC000616960787	mid	-0.58	-15.35	0	289.118	1.317	3	3	2	O=C(N[C@H]1CCNC1=O)c1c(O)cc(Cl)cc1Cl
178299450	ZINC000237125942	high	4.58	-17.66	0	351.472	1.358	1	4	3	CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)[C@]1(C)CCCCN1)CC2
168364618	ZINC000368500157	mid	6.0	-10.75	0	339.802	3.024	2	4	7	CCC[C@@H](C)CC(=O)N[C@@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1
365630931	ZINC000617413643	ref	5.84	-45.43	1	289.379	0.935	3	2	4	Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCC[N@@H+](C)C1
365630936	ZINC000617413643	mid	5.3	-44.3	1	289.379	0.935	3	2	4	Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCC[N@H+](C)C1
342594484	ZINC000616960973	ref	5.59	-16.22	0	288.391	1.822	2	2	6	CC(C)Cc1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1
398248060	ZINC000649442351	ref	7.6	-6.82	0	227.307	3.844	0	2	3	Cc1cccnc1-c1ccc(OC(C)C)cc1
398248062	ZINC000649442520	ref	4.43	-7.89	0	241.294	1.98	0	4	2	c1cc(-c2ccnc(N3CCOCC3)c2)ccn1
178299453	ZINC000237126659	ref	6.48	-53.17	1	366.465	1.633	2	3	6	C[NH2+]C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)CC1
178299454	ZINC000237128626	ref	2.04	-52.61	1	351.472	1.242	3	3	8	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1
178299456	ZINC000237127113	ref	3.49	-56.06	1	365.499	1.584	2	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1
178299459	ZINC000237125712	ref	2.52	-50.42	1	359.467	1.617	3	3	8	CCNS(=O)(=O)c1ccc(F)c(C(=O)N[C@](C)(C[NH3+])CC(C)C)c1
214182278	ZINC000053420536	high	5.35	-5.73	0	334.504	2.823	1	4	8	CC(C)CN1CCN(C[C@H](O)COc2ccccc2C(C)C)CC1
214182282	ZINC000053429585	ref	6.63	-104.0	2	334.327	2.484	2	2	9	CN(CC[NH2+]CCC[NH+](C)C)Cc1cc(Br)cs1
214182286	ZINC000053429585	high	4.15	-41.86	1	334.327	2.484	1	3	9	CN(C)CCC[NH2+]CCN(C)Cc1cc(Br)cs1
178299462	ZINC000237125555	ref	5.38	-60.97	1	367.349	1.986	1	4	4	CN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F
342594485	ZINC000616961334	ref	4.04	-16.82	0	258.321	1.185	2	2	4	O=C(N[C@@H]1CCNC1=O)[C@H](c1ccccc1)C1CC1
178299465	ZINC000237134880	ref	5.13	-55.37	1	360.502	1.851	2	3	9	CN1CCN(C(=O)Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1
398248063	ZINC000649442520	low	4.74	-36.77	1	241.294	1.98	0	3	2	c1cc(-c2cc[nH+]c(N3CCOCC3)c2)ccn1
178299467	ZINC000237134880	mid	7.48	-98.08	2	360.502	1.851	3	2	9	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCCCCC[NH3+])cc2)CC1
342594486	ZINC000616961148	ref	3.81	-18.42	0	260.337	1.159	2	2	3	Cc1cc(C)c(CC(=O)N[C@@H]2CCNC2=O)c(C)c1
342594487	ZINC000616960822	ref	3.14	-20.0	0	298.346	1.312	3	3	3	Cc1cccc(-c2nc(C)c(C(=O)N[C@@H]3CCNC3=O)[nH]2)c1
342087449	ZINC000625366899	mid	4.94	-49.64	1	276.311	1.945	3	2	3	C[C@H]1C[C@@H](O)C[N@@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
214182287	ZINC000278482051	ref	5.4	-18.94	0	321.446	2.683	3	3	7	CSCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C2CCC2)cc1
214182292	ZINC000278482261	ref	6.44	-6.99	0	322.43	2.214	1	4	3	COc1cc(C)c(NC(=O)C(=O)N(C)[C@@H]2CCSC2)cc1C
214182295	ZINC000278481878	ref	8.64	-12.23	0	313.331	2.343	0	7	5	COC(=O)c1cc([N+](=O)[O-])c(C)cc1S[C@@H](C)C(=O)OC
282121765	ZINC000336688203	low	8.07	-101.33	2	251.374	0.633	2	1	4	C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1
282121770	ZINC000336688203	low	8.02	-96.41	2	251.374	0.633	2	1	4	C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1
282121779	ZINC000179631607	ref	9.63	-43.01	1	337.471	2.847	1	4	7	C[NH+](C)C[C@@H]1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1
214182308	ZINC000278480232	ref	3.76	-18.56	0	320.414	1.965	2	3	4	C[C@@H](CC(=O)N[C@H]1CCS(=O)(=O)C1)c1c[nH]c2ccccc12
342087450	ZINC000625366899	mid	4.62	-47.54	1	276.311	1.945	3	2	3	C[C@H]1C[C@@H](O)C[N@H+]1CC(=O)c1c[nH]c2ccc(F)cc12
214182310	ZINC000278482075	low	7.2	-11.44	0	315.27	2.936	1	2	4	CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H](F)C(F)(F)F
342087451	ZINC000625366708	ref	-0.26	-7.36	0	275.27	1.52	2	3	3	OCc1ccc(F)c(CN2C[C@H](O)CC(F)(F)C2)c1
214182311	ZINC000278482075	low	7.2	-11.08	0	315.27	2.936	1	2	4	CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)C(F)C(F)(F)F
187168617	ZINC000125078441	mid	0.72	-39.86	1	287.404	0.556	4	3	6	C[C@H]1C[NH+](C(C)(C)CNC(=O)NCCCO)C[C@H](C)O1
197590873	ZINC000290089305	ref	4.98	-9.91	0	284.787	2.984	2	3	6	CC[C@H](C)NC(=O)CNc1cc(C)c(OC)cc1Cl
214182314	ZINC000278482209	ref	5.68	-16.05	0	313.488	2.747	1	4	8	COCC[S@@](=O)Cc1cccc(NC[C@H]2CCSC2)c1
342087452	ZINC000625366711	ref	0.24	-8.07	0	275.27	1.52	2	3	3	OCc1ccc(F)c(CN2C[C@@H](O)CC(F)(F)C2)c1
214182318	ZINC000278481141	ref	8.99	-13.36	0	324.388	1.851	1	7	4	Cn1ncc2c(N)nc(N3CC[C@H](COc4ccccc4)C3)nc21
187168618	ZINC000125078838	ref	5.18	-15.56	0	275.352	2.453	2	2	2	CNC(=O)c1ccc(NC(=O)N2CCCC[C@H]2C)cc1
214182322	ZINC000278481141	low	9.41	-35.05	1	324.388	1.851	1	6	4	Cn1ncc2c(N)[nH+]c(N3CC[C@H](COc4ccccc4)C3)nc21
214182323	ZINC000278480243	ref	7.95	-44.6	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1
214182329	ZINC000278480243	mid	7.62	-46.77	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1
349534226	ZINC000093241640	high	0.93	-7.47	0	272.389	0.619	2	4	5	C[C@@H]1CC(C(=O)NC[C@](C)(O)CN(C)C)C[C@@H](C)O1
230723419	ZINC000414273551	ref	6.5	-11.48	0	315.417	3.433	1	5	8	CCOc1ccc([C@H](C)NCc2ccc(C)nn2)cc1OCC
136229040	ZINC000292800721	mid	7.14	-50.22	1	248.286	1.357	2	4	7	C#CC[N@@H+](C)CCCNc1ccc([N+](=O)[O-])cn1
343993572	ZINC000248507947	mid	5.34	-39.73	1	299.459	1.908	3	2	4	CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CC[N@H+]1C[C@@H](C)O
361823244	ZINC000616604805	low	3.18	-59.37	1	293.348	1.01	1	4	3	O=S(=O)(c1ccccc1)N1CC[NH2+]C[C@H]1c1cnoc1
230723422	ZINC000414273551	mid	7.63	-51.33	1	315.417	3.433	1	4	8	CCOc1ccc([C@H](C)[NH2+]Cc2ccc(C)nn2)cc1OCC
361823251	ZINC000531822810	ref	6.8	-16.44	0	299.721	1.981	0	5	1	O=C(c1ccc2nnnn2c1)N1CCc2c(Cl)cccc21
187168619	ZINC000125066859	ref	7.17	-9.19	0	277.412	3.06	1	3	4	CC(C)[C@@H]1CC[C@@H](C(=O)N[C@@H](C)c2cnn(C)c2)CC1
282952132	ZINC000333552710	ref	1.27	-16.69	0	302.252	2.018	3	3	2	O=C1CCC[C@H](C(=O)Nc2ccc(O)c(C(F)(F)F)c2)N1
230723437	ZINC000414273217	ref	8.32	-48.3	1	303.45	3.056	1	3	5	Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cn1
136229041	ZINC000292800721	high	4.76	-9.32	0	248.286	1.357	1	5	7	C#CCN(C)CCCNc1ccc([N+](=O)[O-])cn1
136229042	ZINC000184913695	ref	6.72	-7.91	0	237.368	3.009	1	2	6	C=C(C)C[C@@H](C)C(=O)NCCc1cccs1
361823256	ZINC000531822015	ref	6.07	-37.78	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1
136229043	ZINC000137078559	ref	6.43	-7.33	0	239.265	2.728	1	1	6	C=C[C@@H](CC(=O)NCC(F)F)c1ccccc1
214182289	ZINC000053429585	high	5.27	-34.32	1	334.327	2.484	2	3	9	CN(CCNCCC[NH+](C)C)Cc1cc(Br)cs1
342087453	ZINC000625367766	ref	3.9	-9.24	0	273.398	1.689	1	3	8	O=S(=O)(CCOCC1CCC1)NCC1CC=CC1
342087454	ZINC000625367249	ref	2.14	-5.42	0	251.33	1.996	1	5	5	CC[C@]1(NCc2noc(C3CCC3)n2)CCOC1
361823261	ZINC000531822015	mid	6.11	-38.79	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)s1
361823269	ZINC000531822015	mid	3.28	-7.36	0	279.409	1.918	1	4	4	CCc1ncc(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)s1
361823274	ZINC000616604822	ref	1.13	-11.36	0	291.376	1.141	1	4	2	CS(=O)(=O)N1CCNC[C@@H]1c1cccc2cnccc12
361823278	ZINC000616604822	mid	2.45	-59.67	1	291.376	1.141	1	3	2	CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cccc2cnccc12
361823285	ZINC000531823163	ref	7.71	-41.89	1	296.411	1.566	2	3	3	COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)C1
178299458	ZINC000104290708	ref	9.61	-7.84	0	236.318	3.587	0	2	3	Cc1cc2ccccc2n1CCc1cccnc1
365630933	ZINC000172877725	ref	5.06	-13.35	0	299.338	1.918	1	8	6	CCCc1nc(CNc2cc(-n3cnnn3)ccc2C)no1
365630940	ZINC000172876819	ref	5.85	-13.62	0	270.336	1.81	2	4	6	O=C(CNc1ccccc1-n1cccn1)NCC1CC1
365630947	ZINC000172879063	ref	1.51	-18.28	0	294.319	1.831	1	4	7	C[C@@H](CO)CS(=O)(=O)Cc1ccccc1OC(F)F
365630952	ZINC000565352314	ref	2.83	-12.57	0	280.349	1.404	1	4	4	CC[C@@H]1OCC[C@H]1NS(=O)(=O)c1ccccc1C#N
136229044	ZINC000292813571	ref	6.45	-38.32	1	243.35	2.503	2	1	5	CC#CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1
365630973	ZINC000172877878	ref	2.31	-14.67	0	262.758	1.883	1	3	5	C[C@@H](CO)CS(=O)(=O)Cc1ccccc1Cl
365630979	ZINC000172878686	ref	1.04	-20.83	0	285.321	1.478	1	6	6	C[C@H](CO)CS(=O)(=O)Cc1cc(-c2ccco2)on1
365630990	ZINC000172877121	ref	6.19	-14.79	0	259.313	1.502	1	5	5	CC[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccncc1
365630995	ZINC000172879052	ref	1.99	-26.75	0	299.392	1.231	2	4	7	CCc1ccccc1NC(=O)CS(=O)(=O)C[C@H](C)CO
282952128	ZINC000345204765	ref	2.31	-14.37	0	324.358	1.35	1	6	5	COC(=O)c1cc(S(N)(=O)=O)ccc1N(C)Cc1ccoc1
282952134	ZINC000345204402	ref	2.78	-10.92	0	302.415	1.688	2	4	10	CCCCOCCOCCNC(=O)N[C@@H]1CCCOCC1
214182294	ZINC000053444468	ref	2.88	-25.71	0	346.408	2.657	2	5	6	NC(=O)c1csc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)c1
365631000	ZINC000172877885	ref	2.31	-14.47	0	262.758	1.883	1	3	5	C[C@H](CO)CS(=O)(=O)Cc1ccccc1Cl
365631008	ZINC000172877116	ref	6.19	-15.45	0	259.313	1.502	1	5	5	CC[C@H](NC(=O)[C@@H](C)n1cncn1)c1ccncc1
365631014	ZINC000565351058	ref	4.71	-51.81	1	266.301	1.716	2	3	5	Cc1ccc(NC(=O)N(C)CCC[NH3+])cc1[N+](=O)[O-]
365631028	ZINC000172879444	ref	2.96	-8.93	0	269.316	1.681	0	4	5	COC[C@H]1CN(Cc2ccc(OC)c(F)c2)CCO1
136229045	ZINC000292813571	high	5.49	-4.43	0	243.35	2.503	2	2	5	CC#CCN[C@@H](c1ccccc1)C1(CO)CCC1
365631032	ZINC000172879444	low	4.71	-46.8	1	269.316	1.681	1	3	5	COC[C@H]1C[N@H+](Cc2ccc(OC)c(F)c2)CCO1
365631040	ZINC000172879444	low	5.23	-47.44	1	269.316	1.681	1	3	5	COC[C@H]1C[N@@H+](Cc2ccc(OC)c(F)c2)CCO1
365631045	ZINC000172880128	ref	3.54	-11.59	0	292.379	1.589	1	4	5	COC[C@@H]1CN(CC(=O)Nc2cc(C)cc(C)c2)CCO1
365639054	ZINC000625087609	ref	2.5	-13.27	0	320.361	2.192	1	4	7	C[C@@H](NS(=O)(=O)c1cccnc1OCC(F)F)C1CCC1
214182296	ZINC000337616087	ref	5.2	-7.89	0	285.428	2.306	1	3	7	C[C@H]1C[C@@H](CC(=O)N(C)CCOCCO)CC(C)(C)C1
282121767	ZINC000171086800	ref	7.68	-18.59	0	333.342	1.952	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3c(F)cc(F)cc31)CC2
178299461	ZINC000211634893	ref	5.17	-9.75	0	242.322	2.728	2	3	4	Cc1cc2ccccc2nc1NCC1(CO)CC1
230723446	ZINC000414271354	ref	7.99	-48.67	1	305.466	3.302	1	3	5	CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
299072132	ZINC000351716122	ref	6.42	-41.77	1	298.431	0.835	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)C(=O)N(C)C
214182298	ZINC000337616588	ref	9.02	-13.63	0	285.303	3.113	1	4	4	CCc1cccnc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1
214182302	ZINC000337616088	ref	5.13	-7.85	0	285.428	2.306	1	3	7	C[C@@H]1C[C@@H](CC(=O)N(C)CCOCCO)CC(C)(C)C1
343993573	ZINC000248507947	mid	3.14	-8.44	0	299.459	1.908	2	3	4	CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CCN1C[C@@H](C)O
136229046	ZINC000184908617	ref	0.66	-11.45	0	247.316	-0.165	0	5	3	C=C(C)CN1CCS(=O)(=O)C[C@@H]1C(=O)OC
214182313	ZINC000337618598	ref	4.54	-44.01	1	287.31	2.36	3	2	6	C[C@@H](CNC(=O)Nc1ccccc1OC(F)F)[NH+](C)C
342087455	ZINC000625367249	low	3.14	-34.82	1	251.33	1.996	1	4	5	CC[C@]1([NH2+]Cc2noc(C3CCC3)n2)CCOC1
214182315	ZINC000337618598	high	2.17	-9.19	0	287.31	2.36	2	3	6	C[C@@H](CNC(=O)Nc1ccccc1OC(F)F)N(C)C
365630938	ZINC000336548904	ref	3.75	-11.4	0	296.317	2.319	1	3	3	O=C1NCCC[C@@H]1N1CCCc2c(OC(F)F)cccc21
136229047	ZINC000184903211	ref	9.52	-10.54	0	247.313	2.978	0	1	5	CC#CCCCC(=O)N(C)Cc1cccc(F)c1
178299469	ZINC000211634893	low	5.49	-24.5	1	242.322	2.728	2	2	4	Cc1cc2ccccc2[nH+]c1NCC1(CO)CC1
342087456	ZINC000625367751	ref	3.53	-9.09	0	273.398	1.689	1	3	7	COCC1(CS(=O)(=O)NCC2CC=CC2)CCC1
214182319	ZINC000337617179	ref	7.0	-9.91	0	295.264	3.31	1	3	3	CCc1cccnc1NC(=O)c1ccc(C(F)(F)F)cn1
342087457	ZINC000621361728	ref	5.15	-35.26	1	268.401	1.195	2	2	3	C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CO
214182324	ZINC000337616741	ref	6.6	-7.88	0	266.385	2.387	1	2	5	O=C(NCC1CCCC1)N(C[C@@H]1CCOC1)C1CC1
214182327	ZINC000337617376	ref	6.19	-10.79	0	261.321	2.492	1	3	5	COc1ccc2c(c1NC(=O)CCC(C)=O)CCC2
342087458	ZINC000621361728	mid	5.38	-35.84	1	268.401	1.195	2	2	3	C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CO
365630943	ZINC000336549051	ref	2.23	-8.95	0	293.417	2.186	1	5	3	Cc1ncsc1CN1CCNC(=O)[C@H]1c1cccs1
343993578	ZINC000599269002	ref	4.13	-8.21	0	294.298	1.002	1	4	4	COC(=O)[C@H](CC(F)F)NC(=O)N1C[C@H](C)O[C@H](C)C1
398248061	ZINC000651457841	ref	5.36	-3.58	0	285.185	3.071	1	3	6	C[C@@H](COCC1CC1)Nc1cncc(Br)c1
219047750	ZINC000350695535	ref	5.41	-18.02	0	296.304	2.174	0	6	4	Cc1noc(C)c1CS(=O)(=O)c1cccc([N+](=O)[O-])c1
136229048	ZINC000232465522	ref	3.08	-35.58	1	234.299	1.257	2	3	4	c1cc(CNC[C@H]2CCC[NH2+]2)c2c(c1)OCO2
349534227	ZINC000618810716	ref	6.65	-7.72	0	287.425	1.782	0	5	3	CC(C)(C)OC(=O)[C@H]1CN(C[C@H]2CCSC2)CCO1
349534232	ZINC000618810716	mid	8.33	-48.77	1	287.425	1.782	1	4	3	CC(C)(C)OC(=O)[C@H]1C[N@H+](C[C@H]2CCSC2)CCO1
349534234	ZINC000618810716	mid	8.76	-48.78	1	287.425	1.782	1	4	3	CC(C)(C)OC(=O)[C@H]1C[N@@H+](C[C@H]2CCSC2)CCO1
190493128	ZINC000269423523	ref	6.98	-15.39	0	288.391	2.296	1	2	4	CCC(=O)N1CC[C@H](C(=O)NC(C)(C)c2ccccc2)C1
136229049	ZINC000292829787	ref	4.84	-5.85	0	240.253	2.47	1	2	5	C=CCC(F)(F)C(=O)N[C@H](C)c1cccnc1
136229050	ZINC000184919725	ref	5.66	-7.67	0	230.311	2.308	1	2	4	C#CCC(C)(C)C(=O)N[C@@H](C)c1cccnc1
136229051	ZINC000292815139	ref	5.46	-13.15	0	236.319	1.342	1	4	5	C=CCC(C)(C)C(=O)NCc1nnc(C)n1C
219047753	ZINC000350682585	ref	5.85	-12.26	0	283.265	2.066	1	2	8	O=C(NCCOCC(F)(F)C(F)F)[C@H]1C[C@@H]1C1CC1
136229052	ZINC000184909793	ref	7.98	-6.8	0	243.35	3.222	1	1	4	C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccc1C
342087459	ZINC000621361728	mid	2.97	-11.26	0	268.401	1.195	1	3	3	C[C@H]1CCN(CC(=O)N2CCC[C@@H](C)C2)C[C@H]1CO
349534238	ZINC000618812078	ref	6.12	-23.02	0	283.335	1.877	1	4	3	Cc1ccc2[nH]c(C(=O)N(C)Cc3cn(C)nn3)cc2c1
219047756	ZINC000350686450	ref	4.29	-8.42	0	257.28	3.184	2	2	4	CCc1ccc(O)c(NC(=O)C(C)(C)C(F)F)c1
219047760	ZINC000350692959	ref	6.93	-17.25	0	294.399	2.083	1	3	5	CO[C@@H](C)CN(C)C(=O)N=c1cc(C)n([C@H](C)C2CC2)[nH]1
219047764	ZINC000350684836	ref	-0.43	-15.41	0	270.31	-0.337	2	4	5	C[C@H](CNC(=O)C(=O)c1ccccc1)S(N)(=O)=O
342087460	ZINC000625367097	ref	7.01	-12.05	0	291.395	1.639	0	4	3	Cc1cn2c(n1)C[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)CC2
136229053	ZINC000292836469	ref	5.69	-7.66	0	210.321	2.535	1	1	5	C=CC[C@@H](CC)NC(=O)N1CC[C@@H]1CC
219047768	ZINC000350689621	ref	9.66	-5.82	0	257.312	3.369	1	3	4	Fc1cccc2ncnc(NC(C3CC3)C3CC3)c12
342087461	ZINC000625367097	low	7.43	-35.81	1	291.395	1.639	0	3	3	Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)CC2
342087462	ZINC000625363994	ref	3.93	-7.69	0	298.427	1.55	2	3	7	CCCN(CCO)C(=O)C(=O)NCC[C@H]1CCCC1(C)C
214182297	ZINC000293547247	ref	4.32	-48.89	1	374.441	0.406	3	5	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
342087463	ZINC000609029987	ref	6.91	-45.49	1	293.367	1.918	1	4	5	C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CN(C)CCO1
342087464	ZINC000609029987	mid	7.25	-46.78	1	293.367	1.918	1	4	5	C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+](C)C[C@@H]1CN(C)CCO1
214182303	ZINC000293547247	mid	4.56	-47.49	1	374.441	0.406	3	5	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
342087465	ZINC000609029987	mid	5.23	-6.81	0	293.367	1.918	0	5	5	C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C[C@@H]1CN(C)CCO1
342087466	ZINC000625367501	ref	1.25	-8.89	0	275.324	1.617	1	5	3	O[C@@H]1CN(Cc2nnc(C3CC3)s2)CC(F)(F)C1
342087467	ZINC000625367099	ref	7.08	-12.85	0	291.395	1.639	0	4	3	Cc1cn2c(n1)C[C@H](C(=O)N(C)C[C@@H]1CCCOC1)CC2
214182306	ZINC000293547247	high	2.91	-15.02	0	374.441	0.406	2	6	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
214182309	ZINC000293541254	ref	2.99	-19.96	0	373.406	0.696	1	5	3	COC(=O)c1cc(S(=O)(=O)N2CCCN(C(N)=O)CC2)c(F)cc1C
282121773	ZINC000248968190	mid	5.47	-35.88	1	303.472	1.425	2	2	5	C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NS(=O)(=O)N1CCC[C@H]1C
219047751	ZINC000286547295	ref	4.18	-15.96	0	324.446	2.639	2	3	4	C[C@H](NC(=O)N[C@H]1CCC1(C)C)c1ccc(S(C)(=O)=O)cc1
219047755	ZINC000286546718	ref	6.82	-10.95	0	322.796	3.046	1	4	4	Cc1noc(Cl)c1CCC(=O)N1CCCC[C@@H]1c1cc[nH]n1
342087468	ZINC000625367099	low	7.5	-34.5	1	291.395	1.639	0	3	3	Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)C[C@@H]1CCCOC1)CC2
342087469	ZINC000625363969	ref	0.52	-10.38	0	272.146	1.151	1	3	5	CCN(CC(N)=O)Cc1ccncc1Br
342087470	ZINC000625366792	ref	-2.26	-6.68	0	271.744	1.221	3	4	3	OC[C@@H]1CCN(Cc2cc(O)ccc2Cl)C[C@H]1O
342087471	ZINC000625366792	mid	-0.18	-38.58	1	271.744	1.221	4	3	3	OC[C@@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1O
219047758	ZINC000286548032	ref	9.89	-45.47	1	316.788	3.469	0	4	4	COC(=O)c1ccc(CN2CC[C@@H]2c2ccc(Cl)cc2)nc1
219047761	ZINC000286548032	low	9.23	-45.36	1	316.788	3.469	1	3	4	COC(=O)c1ccc(C[N@@H+]2CC[C@@H]2c2ccc(Cl)cc2)nc1
342087472	ZINC000625366792	mid	-0.04	-37.49	1	271.744	1.221	4	3	3	OC[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1O
342087473	ZINC000625366792	high	-1.61	-44.39	-1	271.744	1.221	2	4	3	[O-]c1ccc(Cl)c(CN2CC[C@@H](CO)[C@H](O)C2)c1
342087474	ZINC000625366790	ref	-2.82	-7.22	0	271.744	1.221	3	4	3	OC[C@H]1CCN(Cc2cc(O)ccc2Cl)C[C@H]1O
342594488	ZINC000616961256	ref	3.14	-16.41	0	252.358	1.453	2	2	2	C[C@@H]1C[C@H](C(=O)N[C@@H]2CCNC2=O)CC(C)(C)C1
342594489	ZINC000616960982	ref	4.23	-16.64	0	260.337	1.241	2	2	4	Cc1cc(C)cc(CCC(=O)N[C@@H]2CCNC2=O)c1
365630939	ZINC000617413643	high	2.94	-9.41	0	289.379	0.935	2	3	4	Cc1ccccc1C(=O)NCC(=O)N[C@@H]1CCCN(C)C1
365630942	ZINC000617414081	ref	3.56	-51.16	1	291.351	0.375	3	3	5	C[N@@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1
214182300	ZINC000053412863	ref	1.05	-12.04	0	325.415	2.178	3	4	5	CCc1ccsc1C(=O)Nc1cccc(NS(N)(=O)=O)c1
214182305	ZINC000053421953	ref	2.76	-21.4	0	329.381	2.448	3	4	5	NC(=O)c1csc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1
214182312	ZINC000053434894	ref	7.72	-22.64	0	330.384	1.981	0	4	5	CCN(C[C@@H]1CCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1
214182317	ZINC000053429435	ref	7.55	-40.4	1	345.35	4.111	1	2	6	C[C@@H]1CCC[C@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1
214182321	ZINC000053416476	ref	7.49	-16.89	0	347.444	1.339	1	6	5	C[C@@H](NC(=O)CSc1nnc2ccccn12)C(=O)N1CCCCC1
214182326	ZINC000053417839	ref	2.35	-19.12	0	341.323	1.903	3	5	3	O=C(Nc1cccc(N2CCNC2=O)c1)c1cc2c(cc1O)OCO2
214182330	ZINC000053417839	high	3.35	-58.33	-1	341.323	1.903	2	5	3	O=C(Nc1cccc(N2CCNC2=O)c1)c1cc2c(cc1[O-])OCO2
214182332	ZINC000053441088	ref	6.61	-104.02	2	334.327	2.484	2	2	9	CN(CC[NH2+]CCC[NH+](C)C)Cc1csc(Br)c1
365630953	ZINC000617414081	mid	4.09	-53.14	1	291.351	0.375	3	3	5	C[N@H+]1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1
349534230	ZINC000093228715	ref	5.43	-49.84	-1	268.269	0.771	1	7	8	CCOC(=O)c1ccc(NCCOCC(=O)[O-])nc1
214182336	ZINC000053441088	mid	4.07	-42.23	1	334.327	2.484	1	3	9	CN(C)CCC[NH2+]CCN(C)Cc1csc(Br)c1
349534236	ZINC000093232507	ref	2.55	-58.09	1	271.386	0.865	1	4	4	Cn1nccc1C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1
214182340	ZINC000053441088	mid	5.24	-34.44	1	334.327	2.484	2	3	9	CN(CCNCCC[NH+](C)C)Cc1csc(Br)c1
282121774	ZINC000248968190	high	3.77	-8.72	0	303.472	1.425	1	3	5	C[C@@H](CN1CCC[C@@H](C)C1)NS(=O)(=O)N1CCC[C@H]1C
282121778	ZINC000248966061	ref	2.77	-15.94	0	312.435	1.918	1	4	6	CC(C)[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H]1C)c1cccnc1
282121781	ZINC000248964914	ref	5.79	-52.9	1	321.377	1.935	3	4	6	Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H]1CO
365630956	ZINC000617414081	mid	1.2	-16.86	0	291.351	0.375	2	4	5	CN1CCC[C@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1
230723483	ZINC000425415331	ref	6.6	-41.08	1	323.437	2.401	2	3	5	COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)CC1
230723486	ZINC000425415331	mid	4.54	-7.99	0	323.437	2.401	1	4	5	COCC(C)(C)N1CCN(C(=O)N[C@@H](C)c2ccc(C)o2)CC1
282121776	ZINC000171041570	ref	5.13	-18.18	0	315.377	1.871	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCc3occc31)CC2
361823671	ZINC000635539262	mid	4.46	-41.66	1	295.358	1.318	3	3	6	CNc1ccc(C(=O)N[C@@H]2CC[N@@H+](CCOC)C2)cc1F
230723501	ZINC000425409520	ref	0.4	-10.34	0	302.306	2.037	0	7	4	FC(F)c1noc(CN2CCO[C@H](c3nccs3)C2)n1
342087475	ZINC000625366790	mid	0.12	-37.49	1	271.744	1.221	4	3	3	OC[C@H]1CC[N@H+](Cc2cc(O)ccc2Cl)C[C@H]1O
361823677	ZINC000635539262	mid	1.96	-7.91	0	295.358	1.318	2	4	6	CNc1ccc(C(=O)N[C@@H]2CCN(CCOC)C2)cc1F
361823681	ZINC000599879665	ref	2.17	-10.59	0	293.323	0.592	3	5	5	CNc1ccc(NC(=O)C(=O)NC[C@@H](C)C(=O)OC)cc1
361823684	ZINC000635539209	ref	7.23	-37.11	1	256.39	1.744	1	2	5	CCCO[C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)CC1
361823687	ZINC000599875947	ref	2.11	-14.44	0	260.297	0.934	3	4	3	Cc1c(N)cccc1NC(=O)C(=O)N[C@H](C)CC#N
361823688	ZINC000635539209	mid	4.54	-8.61	0	256.39	1.744	0	3	5	CCCO[C@H]1CCCN(C(=O)[C@@H](C)N(C)C)CC1
361823692	ZINC000599877147	ref	1.55	-47.65	-1	294.336	0.487	1	5	5	CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(C#N)CC2)cn1
361823696	ZINC000136394268	ref	3.61	-16.05	0	284.743	1.753	2	3	5	CCN(CC)C(=O)c1ccc(NC(=O)CO)cc1Cl
361823697	ZINC000599877147	mid	1.7	-17.34	0	294.336	0.487	2	5	5	CS(=O)(=O)Nc1ccc(C(=O)NCC2(C#N)CC2)cn1
361823701	ZINC000599872778	ref	5.57	-21.04	0	251.33	0.909	1	3	4	CC(=O)N[C@H](CC(C)C)C(=O)N1CC(C)(C#N)C1
361823706	ZINC000599872553	ref	4.89	-25.18	0	276.296	0.48	1	6	6	COC(=O)c1cnn(CC(=O)NCC2(CC#N)CC2)c1
361823707	ZINC000574982188	ref	5.1	-66.76	1	296.33	1.838	2	3	2	O=C(N=c1ccn([C@@H]2CC[NH2+]C2)[nH]1)c1cc2ccccc2o1
361823710	ZINC000599866917	ref	4.26	-24.69	0	269.304	0.886	1	3	1	CC1(C#N)CN(C(=O)[C@@H]2CNC(=O)c3ccccc32)C1
361823712	ZINC000599867781	ref	8.33	-47.71	1	289.379	0.933	1	3	5	CN(C(=O)CCn1ccccc1=O)[C@H]1CC[N@@H+](C2CC2)C1
361823714	ZINC000599867781	mid	8.25	-47.64	1	289.379	0.933	1	3	5	CN(C(=O)CCn1ccccc1=O)[C@H]1CC[N@H+](C2CC2)C1
361823715	ZINC000136397978	ref	5.23	-16.14	0	285.347	1.909	2	2	3	CCC(=O)N1CC[C@H](NC(=O)c2ccc3[nH]ccc3c2)C1
361823719	ZINC000599867781	high	5.9	-15.57	0	289.379	0.933	0	4	5	CN(C(=O)CCn1ccccc1=O)[C@H]1CCN(C2CC2)C1
219047749	ZINC000097681676	mid	6.01	-54.89	1	341.411	1.268	3	3	3	O=C(c1ccc[nH]1)N1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@@H](O)C1
219047752	ZINC000097682395	ref	3.94	-11.64	0	338.333	2.843	1	4	3	O=C(Nc1ccc2nccnc2c1)[C@H]1CCCN(CC(F)(F)F)C1
219047754	ZINC000097680011	ref	4.53	-19.46	0	343.412	1.637	2	7	3	Cn1cc(C(=O)NC(C)(C)c2nnc(N)s2)c(=O)c2ccccc21
214182316	ZINC000293555641	ref	0.9	-24.07	0	355.46	0.905	3	4	7	CNC(=O)NCCC(=O)N[C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O
365630945	ZINC000122676051	ref	7.44	-18.96	0	276.299	2.458	0	5	3	Cn1c([C@H](C#N)C(=O)c2cccnc2)nc2ccccc21
136229054	ZINC000292834315	ref	0.2	-10.62	0	242.319	0.792	3	3	6	C=C[C@@H](CO)NC(=O)NCC[C@H]1CCCCO1
219047757	ZINC000097681691	ref	9.89	-39.86	1	330.472	2.686	2	2	6	Cc1cccc(CC2(NC(=O)C[C@H]3C[N@H+](C(C)C)CCO3)CC2)c1
214182320	ZINC000293553273	ref	4.45	-21.06	0	371.415	0.899	1	6	8	CCOC1CC(N(C)C(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])C1
219047759	ZINC000097681691	mid	9.93	-37.94	1	330.472	2.686	2	2	6	Cc1cccc(CC2(NC(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)c1
219047763	ZINC000097681691	mid	7.7	-8.6	0	330.472	2.686	1	3	6	Cc1cccc(CC2(NC(=O)C[C@H]3CN(C(C)C)CCO3)CC2)c1
219047766	ZINC000097681268	ref	4.49	-21.02	0	338.429	1.286	1	5	6	O=C(COCC1CC1)Nc1cccc(N2CCS(=O)(=O)CC2)c1
398248064	ZINC000651457752	ref	5.81	-11.13	0	295.308	3.474	2	2	3	Cc1n[nH]cc1[C@@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21
342594490	ZINC000616960813	ref	4.25	-17.06	0	278.327	1.57	2	2	4	CC(C)[C@H](C(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1
219047773	ZINC000097681660	ref	5.34	-63.0	1	346.431	0.181	2	4	4	NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)Cn2ccccc2=O)CC1
342594491	ZINC000616960871	ref	3.23	-18.19	0	290.363	1.584	2	3	6	CC[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(OC)cc1
219047776	ZINC000097681660	high	3.39	-23.85	0	346.431	0.181	1	5	4	NC(=O)C1(N2CCCCC2)CCN(C(=O)Cn2ccccc2=O)CC1
365630970	ZINC000122676051	high	6.53	-43.73	-1	276.299	2.458	0	5	2	Cn1c(C(C#N)=C([O-])c2cccnc2)nc2ccccc21
219047778	ZINC000097680832	ref	7.35	-11.09	0	329.24	3.539	0	2	5	CN(CCC(F)(F)F)C(=O)Cc1ccc(OC(F)(F)F)cc1
136229055	ZINC000184902599	ref	9.21	-6.88	0	247.338	3.16	0	3	7	C=C(C)C[C@H](C)C(=O)OCCCc1ccncc1
219047781	ZINC000097681739	ref	5.2	-10.33	0	343.456	1.659	0	6	5	CSCCN1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1
342087476	ZINC000625366790	mid	-0.24	-38.31	1	271.744	1.221	4	3	3	OC[C@H]1CC[N@@H+](Cc2cc(O)ccc2Cl)C[C@H]1O
214182325	ZINC000293553273	high	4.17	-57.28	-1	371.415	0.899	0	6	8	CCOC1CC(N(C)C(=O)C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1
187168620	ZINC000125076152	ref	11.39	-45.82	1	298.43	2.734	1	1	5	O=C([C@@H](c1ccccc1)C1CC1)N1CC[NH+](CC2CC2)CC1
342087477	ZINC000625366790	high	-1.42	-46.11	-1	271.744	1.221	2	4	3	[O-]c1ccc(Cl)c(CN2CC[C@H](CO)[C@H](O)C2)c1
214182328	ZINC000293547131	ref	4.41	-50.84	1	364.402	0.238	3	5	7	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
343993581	ZINC000599269773	ref	6.16	-45.81	1	272.348	1.936	2	3	4	N#CC1(C[C@@H](O)C[N@@H+]2CCOc3ccccc3C2)CC1
214182334	ZINC000293547131	mid	4.64	-50.23	1	364.402	0.238	3	5	7	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
214182338	ZINC000293547131	high	3.01	-15.64	0	364.402	0.238	2	6	7	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
214182343	ZINC000293543834	ref	3.55	-10.34	0	350.371	0.805	1	6	5	COCc1cc(NC(=O)C(=O)N(C)[C@H]2CCOC2)cc(C(=O)OC)c1
187168621	ZINC000125076152	mid	9.18	-7.81	0	298.43	2.734	0	2	5	O=C([C@@H](c1ccccc1)C1CC1)N1CCN(CC2CC2)CC1
214182348	ZINC000293555534	ref	2.66	-56.67	1	358.442	0.986	4	3	6	CC1(C)C(=O)Nc2cc(C(=O)NCCC[N@@H+]3CCC[C@@H]3C(N)=O)ccc21
214182358	ZINC000293555534	mid	3.15	-52.68	1	358.442	0.986	4	3	6	CC1(C)C(=O)Nc2cc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)ccc21
214182361	ZINC000293555534	mid	0.25	-19.0	0	358.442	0.986	3	4	6	CC1(C)C(=O)Nc2cc(C(=O)NCCCN3CCC[C@@H]3C(N)=O)ccc21
214182364	ZINC000293553393	ref	1.59	-15.6	0	356.4	0.13	1	6	5	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCNC(=O)CC2)c1
214182369	ZINC000293550059	ref	3.09	-13.65	0	364.475	0.776	0	9	6	COCCn1nnc2c1CCN(Cc1cnc(N3CCOCC3)s1)C2
342087478	ZINC000625364236	ref	1.4	-9.69	0	277.353	1.774	2	6	4	CNc1cnc(C(=O)N[C@H](C)c2csc(C)n2)cn1
342087479	ZINC000625367248	ref	2.08	-5.43	0	251.33	1.996	1	5	5	CC[C@@]1(NCc2noc(C3CCC3)n2)CCOC1
342087480	ZINC000625367248	low	3.14	-36.41	1	251.33	1.996	1	4	5	CC[C@@]1([NH2+]Cc2noc(C3CCC3)n2)CCOC1
342087481	ZINC000625367581	ref	4.94	-40.86	1	296.333	1.946	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@]1(CC)CCOC1
342087482	ZINC000625367581	high	4.22	-9.01	0	296.333	1.946	1	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@@]1(CC)CCOC1
349534240	ZINC000093232507	high	1.36	-16.17	0	271.386	0.865	1	5	4	Cn1nccc1CN[C@@H]1CCC[C@H](S(C)(=O)=O)C1
349534244	ZINC000093259233	ref	1.77	-10.8	0	271.361	0.801	1	4	2	C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)CN1CC(N)=O
349534248	ZINC000093259233	low	3.29	-42.5	1	271.361	0.801	2	3	2	C[C@@H]1C[N@H+](CC(N)=O)[C@H](C)CN1C(=O)OC(C)(C)C
282121782	ZINC000105234696	ref	5.6	-49.54	1	306.414	0.683	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)[N@H+](C)C1CC1)CC2
282121785	ZINC000105234696	mid	5.58	-50.5	1	306.414	0.683	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)[N@@H+](C)C1CC1)CC2
365630949	ZINC000336549008	ref	6.35	-39.28	1	253.292	2.435	2	1	3	C[C@@]1(O)CC[N@H+](C/C=C/c2ccc(F)cc2F)C1
349534250	ZINC000093259233	low	3.5	-40.79	1	271.361	0.801	2	3	2	C[C@@H]1C[N@@H+](CC(N)=O)[C@H](C)CN1C(=O)OC(C)(C)C
365630954	ZINC000336549008	mid	3.78	-4.66	0	253.292	2.435	2	1	3	C[C@@]1(O)CC[N@@H+](C/C=C/c2ccc(F)cc2F)C1
282121795	ZINC000105234696	high	3.45	-14.34	0	306.414	0.683	2	5	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H](C)N(C)C1CC1)CC2
365630958	ZINC000336549008	mid	3.78	-4.66	0	253.292	2.435	1	2	3	C[C@@]1(O)CCN(C/C=C/c2ccc(F)cc2F)C1
365630961	ZINC000336548393	ref	6.1	-9.26	0	262.353	2.07	0	3	3	C[C@@H]1COCCN(C(=O)C[C@H](C)c2cccnc2)C1
282121805	ZINC000120042870	ref	8.32	-17.56	0	345.834	2.323	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3c(Cl)cccc3C1)CC2
187168622	ZINC000125070664	ref	4.57	-8.9	0	278.352	2.774	2	3	5	CCCOc1ccc(NC(=O)N[C@@H]2CCO[C@@H]2C)cc1
282121822	ZINC000366012122	ref	5.07	-16.4	0	347.806	1.988	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1COc3c(Cl)cccc31)CC2
342087483	ZINC000625364216	ref	2.16	-16.03	0	264.31	1.438	2	5	3	Cc1nc([C@H](C)NC(=O)c2cc(=O)[nH]cn2)cs1
306234627	ZINC000557909616	ref	5.18	-17.15	0	346.456	1.96	0	6	6	C[C@@H](c1nccs1)N1CCN(C(=O)COCc2cccnc2)CC1
342087484	ZINC000625364216	high	1.01	-43.3	-1	264.31	1.438	1	5	3	Cc1nc([C@H](C)NC(=O)c2cc(=O)[n-]cn2)cs1
342087485	ZINC000625364206	ref	5.18	-10.68	0	296.411	1.422	1	3	6	C/C=C/C[C@H]1CCCN(C(=O)C(=O)N(CCC)CCO)C1
342088641	ZINC000600315026	ref	4.65	-19.7	0	294.311	1.275	1	5	4	CCCc1n[nH]c(C(=O)N2CC3(CCCO3)C2)c1[N+](=O)[O-]
342088642	ZINC000600315026	mid	4.65	-19.7	0	294.311	1.275	1	5	4	CCCc1[nH]nc(C(=O)N2CC3(CCCO3)C2)c1[N+](=O)[O-]
342088643	ZINC000609047016	ref	7.09	-44.16	1	265.401	1.867	1	3	6	N#CCCCC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1
342088644	ZINC000609047016	mid	6.9	-41.07	1	265.401	1.867	1	3	6	N#CCCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1
383676963	ZINC000635980691	ref	7.55	-9.97	0	287.403	2.795	1	2	6	CC[C@@H]1[C@H](CO)CCN1C(=O)C/C=C\Cc1ccccc1
342594492	ZINC000616960727	ref	2.49	-19.77	0	252.701	1.267	2	2	2	Cc1cccc(C(=O)N[C@H]2CCNC2=O)c1Cl
210257179	ZINC000004719181	ref	10.97	-15.92	0	343.339	4.269	1	5	6	CC[C@@H](C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1
342594493	ZINC000616960878	ref	3.13	-19.11	0	266.728	1.575	2	2	2	Cc1cc(Cl)c(C(=O)N[C@@H]2CCNC2=O)cc1C
187168623	ZINC000125077381	ref	2.97	-17.77	0	289.335	1.737	3	3	3	CC(C)c1ccccc1NC(=O)N[C@H]1CCC(=O)NC1=O
210257185	ZINC000004718533	ref	11.44	-44.51	-1	340.379	4.103	1	5	3	O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21
210257192	ZINC000004719708	ref	10.46	-4.12	0	344.227	5.415	1	1	1	Fc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1
342594494	ZINC000616961143	ref	1.98	-19.01	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Cl)c(F)c1
342594495	ZINC000616961144	ref	1.98	-18.98	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(Cl)c(F)c1
210257199	ZINC000004716202	ref	11.21	-14.73	0	330.775	2.95	0	6	4	C=CCOC(=O)C1C(C)=Nc2ncnn2[C@@H]1c1cccc(Cl)c1
210257203	ZINC000000655854	ref	5.36	-11.32	0	357.74	4.211	1	4	6	COc1cc(NC(=O)c2cccc(OC(F)F)c2)c(OC)cc1Cl
210257206	ZINC000004719253	ref	13.92	-10.45	0	347.506	6.131	1	3	5	CC(C)(C)CC(C)(C)Nc1c(/C=C/c2ccccc2)nc2ccccn12
361823682	ZINC000035784618	ref	4.94	-9.93	0	260.337	2.046	0	4	4	C[C@@H]1CN(CCOc2ccccc2C#N)[C@H](C)CO1
342594496	ZINC000194361753	ref	3.42	-15.12	0	264.325	1.405	2	3	3	CCc1cc(C)c(C(=O)N[C@@H]2C(=O)NCC[C@H]2C)o1
210257212	ZINC000004719253	mid	14.34	-26.04	1	347.506	6.131	1	2	5	CC(C)(C)CC(C)(C)Nc1c(/C=C/c2ccccc2)[nH+]c2ccccn12
342594497	ZINC000616960725	ref	3.25	-15.95	0	252.358	1.598	2	2	3	CC1(C)CCC(CC(=O)N[C@H]2CCNC2=O)CC1
210257218	ZINC000004715979	ref	8.95	-19.03	0	343.314	3.439	1	5	4	Cc1ccc(Nc2ccc(N3C(=O)CCC3=O)cc2[N+](=O)[O-])cc1F
349534241	ZINC000594967565	high	4.83	-13.66	0	295.448	2.783	1	3	5	COc1cc(C)ccc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1
349534245	ZINC000594968134	ref	9.09	-41.83	1	255.402	2.99	1	2	7	CC[C@H](C)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C
197590912	ZINC000290090653	ref	4.53	-6.37	0	271.748	1.735	0	5	4	CCOC(=O)[C@H](C)N1CC[C@@H](n2cc(Cl)cn2)C1
361823689	ZINC000035784618	mid	7.15	-38.72	1	260.337	2.046	1	3	4	C[C@@H]1C[N@H+](CCOc2ccccc2C#N)[C@H](C)CO1
210257222	ZINC000000653040	ref	10.17	-8.31	0	357.734	5.24	1	1	3	O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@@H]1c1ccc(Cl)cc1
210257226	ZINC000004718348	ref	11.05	-31.53	0	333.46	4.602	0	4	3	S=c1nc(-c2ccccc2)n(Cc2cccnc2)c2c1CCCC2
214182331	ZINC000337619162	ref	7.35	-41.86	1	287.407	2.328	3	1	5	O=C(NCC[NH+]1CCC1)N[C@@H]1CCC[C@H]1c1ccccc1
210257231	ZINC000000657437	ref	4.66	-14.49	0	369.24	2.77	1	4	5	COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1Br
342594498	ZINC000194361783	ref	3.65	-15.45	0	264.325	1.405	2	3	3	CCc1cc(C)c(C(=O)N[C@@H]2C(=O)NCC[C@@H]2C)o1
187168624	ZINC000125077828	ref	3.23	-5.8	0	254.721	1.903	2	5	3	CNc1c(Cl)ncnc1N[C@@H]1C[C@H]2CC[C@@H]1O2
342594499	ZINC000616961280	ref	4.0	-16.13	0	264.369	1.598	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1
365630957	ZINC000274348819	low	5.45	-34.14	1	272.356	1.844	2	4	3	Cc1nc([C@@H]2CCC[N@@H+]([C@@H](C)c3cnccn3)C2)n[nH]1
214182333	ZINC000337619162	mid	4.17	-10.53	0	287.407	2.328	2	2	5	O=C(NCCN1CCC1)N[C@@H]1CCC[C@H]1c1ccccc1
214182339	ZINC000337619414	ref	7.85	-11.23	0	298.39	3.422	1	4	4	C[C@@H]1CCC[C@@H](CC(=O)Nc2cnccc2-n2cccn2)C1
178299470	ZINC000237131970	ref	2.2	-63.09	1	361.467	1.344	3	3	8	CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)cc1
178299473	ZINC000237131970	high	1.83	-13.56	0	361.467	1.344	3	4	8	CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H](CN)c2ccccc2)cc1
178299475	ZINC000237129270	ref	2.87	-41.54	1	353.488	1.635	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])c1
210257234	ZINC000004718534	ref	11.32	-43.82	-1	340.379	4.103	1	5	3	O=C([O-])c1ccc([N+](=O)[O-])c2c1N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21
210257240	ZINC000004719108	ref	6.82	-18.77	0	327.365	3.965	1	6	3	CC(=O)c1cc2c(N)c(-c3ccccc3[N+](=O)[O-])sc2nc1C
365630959	ZINC000274348819	low	5.92	-37.23	1	272.356	1.844	2	4	3	Cc1nc([C@@H]2CCC[N@H+]([C@@H](C)c3cnccn3)C2)n[nH]1
342594500	ZINC000616961257	ref	3.14	-16.02	0	252.358	1.453	2	2	2	C[C@@H]1C[C@H](C(=O)N[C@H]2CCNC2=O)CC(C)(C)C1
342594501	ZINC000616960951	ref	2.64	-18.83	0	268.263	1.073	2	2	3	C[C@H](C(=O)N[C@@H]1CCNC1=O)c1c(F)cccc1F
187168625	ZINC000125073762	ref	5.22	-37.0	1	269.414	1.704	2	3	7	CCc1nc(CCNC(=O)[C@@H](CC)[NH+](C)C)cs1
259309332	ZINC000323003894	ref	0.98	-12.82	0	233.267	0.576	2	3	3	O=C(/C=C\c1ccccc1)N[C@@H]1COC[C@H]1O
342594502	ZINC000616960953	ref	2.64	-18.54	0	268.263	1.073	2	2	3	C[C@H](C(=O)N[C@H]1CCNC1=O)c1c(F)cccc1F
365630960	ZINC000617411563	ref	3.8	-44.14	1	255.362	0.358	3	2	4	CC(=O)N[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C
365630965	ZINC000617411563	mid	4.31	-45.03	1	255.362	0.358	3	2	4	CC(=O)N[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(C)C
365630968	ZINC000617411563	mid	1.46	-8.09	0	255.362	0.358	2	3	4	CC(=O)N[C@@H](C(=O)N[C@@H]1CCCN(C)C1)C(C)C
282121786	ZINC000533467273	ref	5.75	-12.76	0	275.312	1.301	2	5	3	Cc1cc(NC(=O)NC[C@@H]2CCCn3ccnc32)no1
365630976	ZINC000617413218	ref	5.07	-48.46	1	253.346	0.208	2	2	2	CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1
365630984	ZINC000617413218	mid	4.54	-45.72	1	253.346	0.208	2	2	2	CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](C)C1
365630988	ZINC000617413218	mid	2.18	-16.8	0	253.346	0.208	1	3	2	CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(C)C1
365630994	ZINC000617411687	ref	6.33	-50.44	1	286.339	0.486	2	5	3	C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1
282121792	ZINC000533467273	low	6.38	-36.27	1	275.312	1.301	2	4	3	Cc1cc(NC(=O)NC[C@@H]2CCCn3cc[nH+]c32)no1
365631003	ZINC000617411687	mid	6.85	-52.7	1	286.339	0.486	2	5	3	C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1
342594503	ZINC000616961248	ref	2.94	-19.68	0	271.32	1.105	3	2	4	O=C(CCc1ccc2[nH]ccc2c1)N[C@@H]1CCNC1=O
365631011	ZINC000617411687	mid	3.97	-14.28	0	286.339	0.486	1	6	3	CN1CCC[C@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1
365631017	ZINC000617412892	ref	1.46	-53.7	1	256.35	0.035	4	2	6	C[N@@H+]1CCC[C@@H](NC(=O)CCCCNC(N)=O)C1
365631026	ZINC000617412892	mid	0.92	-50.87	1	256.35	0.035	4	2	6	C[N@H+]1CCC[C@@H](NC(=O)CCCCNC(N)=O)C1
365631029	ZINC000617412892	high	-1.43	-17.57	0	256.35	0.035	3	3	6	CN1CCC[C@@H](NC(=O)CCCCNC(N)=O)C1
178299477	ZINC000237128345	ref	2.82	-53.66	1	351.472	1.114	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)NC[C@H]2CCC[NH2+]C2)cc1
282121797	ZINC000533466199	ref	2.94	-6.29	0	276.384	1.062	1	5	2	C[C@H](O)[C@@H]1CCCN(c2ncnc3c2CN(C)CC3)C1
365631037	ZINC000617413926	ref	3.62	-44.61	1	281.381	0.688	3	3	4	C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccs2)C1
365631050	ZINC000617413926	mid	4.16	-45.67	1	281.381	0.688	3	3	4	C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccs2)C1
365631055	ZINC000617413926	high	1.26	-9.68	0	281.381	0.688	2	4	4	CN1CCC[C@H](NC(=O)CNC(=O)c2cccs2)C1
282121802	ZINC000533466199	low	5.37	-42.87	1	276.384	1.062	2	4	2	C[C@H](O)[C@@H]1CCCN(c2ncnc3c2C[N@H+](C)CC3)C1
282121806	ZINC000533466199	low	5.47	-42.81	1	276.384	1.062	2	4	2	C[C@H](O)[C@@H]1CCCN(c2ncnc3c2C[N@@H+](C)CC3)C1
214182335	ZINC000278482025	ref	3.2	-6.91	0	315.24	2.664	1	5	4	Cn1ncc(Br)c1CNC(C)(C)c1nccs1
178299479	ZINC000237132627	ref	6.28	-57.75	1	365.474	1.179	2	3	4	C[NH2+]C1CCN(C(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)CC1
214182337	ZINC000278482025	low	4.4	-37.96	1	315.24	2.664	1	4	4	Cn1ncc(Br)c1C[NH2+]C(C)(C)c1nccs1
214182342	ZINC000278481445	ref	6.86	-10.82	0	317.393	1.883	2	5	9	CCCCOCCNC(=O)NCc1ncnn1-c1ccccc1
342087486	ZINC000048400588	ref	3.43	-9.15	0	296.289	1.082	1	4	5	COC(=O)C[C@@H]1CCCCN1CC(=O)NCC(F)(F)F
178299481	ZINC000237128256	ref	2.81	-53.49	1	351.472	1.114	3	3	7	CCNS(=O)(=O)c1ccc(/C=C/C(=O)NC[C@@H]2CCC[NH2+]C2)cc1
342087487	ZINC000048400588	low	5.15	-42.53	1	296.289	1.082	2	3	5	COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F
342087488	ZINC000048400588	low	5.48	-42.42	1	296.289	1.082	2	3	5	COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F
178299484	ZINC000237134606	ref	5.28	-41.15	1	369.462	1.434	1	3	5	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
178299486	ZINC000237131331	ref	6.54	-56.03	1	354.332	1.509	2	4	5	C[NH2+]CCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
214182353	ZINC000278481024	ref	6.19	-13.98	0	303.406	3.283	2	2	6	CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(N)=O)CC2
214182357	ZINC000278480606	ref	5.39	-11.6	0	322.368	2.874	2	4	4	O=C(NCc1ccc2c(n1)CCCC2)c1cc(-c2ccco2)n[nH]1
178299488	ZINC000237137819	ref	9.25	-47.38	1	371.51	1.854	1	5	3	CCc1nsc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)n1
178299489	ZINC000237137819	mid	7.95	-10.4	0	371.51	1.854	1	6	3	CCc1nsc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4CN3)CC2)n1
178299492	ZINC000237131539	ref	6.94	-54.85	1	354.332	1.509	2	4	5	C[NH2+]CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O
214182360	ZINC000278480441	ref	8.05	-15.3	0	312.36	2.574	0	2	4	CC(CC(=O)N1CCC=C(F)C1)CC(=O)N1CCC=C(F)C1
214182365	ZINC000278481929	ref	8.32	-12.74	0	311.385	2.427	1	4	4	C[C@@H]1COCC[C@H]1NC(=O)/C=C/c1ccc(-n2ccnc2)cc1
342087489	ZINC000048401029	ref	3.31	-8.76	0	260.341	1.892	1	5	6	CC(C)Oc1ncccc1CNCc1cnn(C)c1
342087490	ZINC000048401029	mid	4.7	-43.78	1	260.341	1.892	1	4	6	CC(C)Oc1ncccc1C[NH2+]Cc1cnn(C)c1
214182368	ZINC000278481929	low	8.83	-40.93	1	311.385	2.427	1	3	4	C[C@@H]1COCC[C@H]1NC(=O)/C=C/c1ccc(-n2cc[nH+]c2)cc1
210257243	ZINC000000653477	ref	9.44	-11.06	0	355.341	3.962	0	6	3	CCOC(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C)s3)nc12
306234628	ZINC000557905495	ref	-0.02	-18.1	0	343.449	1.596	2	5	4	CC(C)(C)c1cnc(CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)o1
197590913	ZINC000290090653	low	7.29	-39.96	1	271.748	1.735	1	4	4	CCOC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1
343993582	ZINC000079919926	ref	6.55	-16.08	0	283.416	2.206	1	2	6	CCCCC[C@H](C)CC(=O)N1CCCN(C(N)=O)CC1
210257248	ZINC000004718283	ref	12.29	-30.87	1	343.386	5.657	1	3	3	Cc1ccc2[nH+]c3ccccc3c(Nc3cc([N+](=O)[O-])ccc3C)c2c1
343993594	ZINC000079917596	ref	2.42	-8.84	0	271.386	2.005	2	4	8	CC(C)COCCCNC(=O)NCc1nccs1
282121787	ZINC000449152012	ref	9.18	-14.27	0	296.37	2.395	0	3	4	Cc1cccc2c1O[C@H](C(=O)N(C)CCc1ccccn1)C2
210257216	ZINC000272864350	ref	6.42	-27.65	0	315.333	0.311	2	5	3	Cc1cccc(N2C[C@@H](C(=O)Nn3cn[nH]c3=O)CC2=O)c1C
210257224	ZINC000272863918	ref	5.07	-17.41	0	321.377	2.016	2	5	7	C[C@H](O)[C@@H]1CCN(C(=O)CCCNc2ccc([N+](=O)[O-])cc2)C1
187168626	ZINC000125073762	high	2.77	-11.44	0	269.414	1.704	1	4	7	CCc1nc(CCNC(=O)[C@@H](CC)N(C)C)cs1
365630962	ZINC000274348819	high	3.93	-10.15	0	272.356	1.844	1	5	3	Cc1nc([C@@H]2CCCN([C@@H](C)c3cnccn3)C2)n[nH]1
136229056	ZINC000232473453	ref	5.32	-34.5	1	236.384	2.467	2	2	3	c1cc2c(s1)CCC[C@@H]2NC[C@@H]1CCC[NH2+]1
197590915	ZINC000290090653	low	7.29	-42.93	1	271.748	1.735	1	4	4	CCOC(=O)[C@H](C)[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1
187168627	ZINC000125079440	ref	1.61	-9.66	0	295.389	2.381	1	6	4	O=C(NCc1cscn1)c1csc([C@@H]2CCCO2)n1
210257228	ZINC000272863978	ref	6.3	-9.77	0	316.401	3.202	2	4	8	COCC[C@H](NC(=O)CNc1c(C)cccc1C)c1ccco1
210257235	ZINC000272863853	ref	5.02	-10.11	0	312.369	2.717	1	4	4	C[C@@H](O)[C@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1
197590917	ZINC000290088957	ref	11.79	-13.35	0	281.363	2.733	0	5	3	CN(c1nnc(-c2ccc(C#N)cc2)n1C)C1CCCC1
210257241	ZINC000272863933	ref	4.47	-16.9	0	318.373	3.011	2	4	7	COCC[C@H](NC(=O)c1cc(C(C)C)[nH]c(=O)c1)c1ccco1
210257245	ZINC000272863854	ref	8.37	-9.4	0	322.401	3.342	0	5	7	CC[C@H]1C[C@H](CC(=O)OCc2cccc(OC)c2OC)CCO1
197590920	ZINC000290091167	ref	0.78	-8.03	0	291.351	1.424	1	6	8	COCCc1nc(CN(C)[C@@H](CO)c2ccccc2)no1
365630964	ZINC000274348819	high	4.01	-8.52	0	272.356	1.844	1	5	3	Cc1n[nH]c([C@@H]2CCCN([C@@H](C)c3cnccn3)C2)n1
214182341	ZINC000337619414	mid	8.3	-35.66	1	298.39	3.422	1	3	4	C[C@@H]1CCC[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1
349534243	ZINC000618812511	ref	5.84	-7.7	0	275.414	1.638	0	5	7	COC(=O)[C@H](COC(C)C)N(C)C[C@@H]1CCSC1
342087491	ZINC000621361481	ref	3.42	-8.31	0	282.428	1.632	3	2	4	C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1
214182344	ZINC000337617305	ref	1.98	-13.82	0	279.256	-0.053	2	7	5	COC(=O)c1n[nH]cc1NC(=O)COc1cnn(C)c1
214182347	ZINC000337616971	ref	8.32	-12.34	0	299.37	3.299	1	3	4	C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N[C@H](c1ccccc1)c1ccco1
214182351	ZINC000337617197	ref	7.33	-42.02	1	275.396	2.013	3	1	7	C[C@H](CCc1ccccc1)NC(=O)NCC[NH+]1CCC1
214182354	ZINC000337617197	mid	4.14	-10.05	0	275.396	2.013	2	2	7	C[C@H](CCc1ccccc1)NC(=O)NCCN1CCC1
349534247	ZINC000618812511	mid	8.11	-41.41	1	275.414	1.638	1	4	7	COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@@H]1CCSC1
342087492	ZINC000621361481	mid	5.6	-35.85	1	282.428	1.632	3	2	4	C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1
365630963	ZINC000354699412	ref	3.63	-8.61	0	278.352	1.265	2	4	4	Cn1cccc1C(=O)C(=O)NC[C@@]1(C)CCCC[C@H]1O
342087493	ZINC000621361481	mid	3.42	-8.31	0	282.428	1.632	2	3	4	C[C@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)[C@H](CO)C1
136229057	ZINC000232473453	low	6.39	-123.12	2	236.384	2.467	2	1	3	c1cc2c(s1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1
136229058	ZINC000097441643	ref	2.5	-9.13	0	238.331	1.595	2	3	5	C[C@H](CCO)CNC(=O)C1(C#N)CCCCC1
342087494	ZINC000621361483	ref	2.84	-6.41	0	282.428	1.632	3	2	4	C[C@H]1CCCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)[C@@H](CO)C1
136229059	ZINC000232464753	ref	4.59	-5.42	0	213.693	2.656	1	4	3	C=C(C)CNc1nc(Cl)c(C#N)s1
136229060	ZINC000292812179	ref	6.9	-46.4	1	245.326	1.651	2	3	7	C#CC[N@H+](C)CCCNc1ccc(C(C)=O)cn1
342087495	ZINC000621361483	mid	5.63	-35.53	1	282.428	1.632	3	2	4	C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342087496	ZINC000621361483	mid	2.84	-6.41	0	282.428	1.632	2	3	4	C[C@H]1CCCC[C@H]1NC(=O)CN1CC[C@@H](C)[C@@H](CO)C1
342087497	ZINC000621361487	ref	0.67	-4.8	0	261.778	1.642	1	5	3	C[C@H]1CCN(Cc2nnsc2Cl)C[C@H]1CO
342087498	ZINC000621361860	ref	3.57	-8.1	0	282.428	1.728	2	2	4	C[C@H]1CC[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1CO
342087499	ZINC000621361860	mid	5.65	-32.83	1	282.428	1.728	2	2	4	C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1CO
136229061	ZINC000292812179	mid	6.91	-46.41	1	245.326	1.651	2	3	7	C#CC[N@@H+](C)CCCNc1ccc(C(C)=O)cn1
342087500	ZINC000621361860	mid	3.57	-8.1	0	282.428	1.728	1	3	4	C[C@H]1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1CO
187168628	ZINC000125077540	ref	5.2	-15.99	0	293.323	2.175	1	5	2	Cc1nnc(NC(=O)[C@H]2COc3ccc(F)cc3C2)s1
187168629	ZINC000125070167	ref	5.8	-9.48	0	284.363	2.632	1	4	4	Cc1cncc(CNC(=O)c2ccn(C3CCCC3)n2)c1
282121788	ZINC000179631607	mid	11.9	-115.98	2	337.471	2.847	2	3	7	C[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1
282121791	ZINC000179631607	mid	12.07	-107.21	2	337.471	2.847	2	3	7	C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(CCC#N)nc2-c2ccccc2)C1
365630966	ZINC000336548307	ref	3.52	-9.97	0	263.815	2.354	0	3	2	C[C@H]1CN(Cc2ccsc2Cl)CC[S@]1=O
214182356	ZINC000337617503	ref	0.31	-17.81	0	291.417	0.804	3	3	7	CC(C)(C)CCNC(=O)NCCS(=O)(=O)NC1CC1
214182359	ZINC000337615375	ref	4.78	-9.87	0	281.368	2.042	2	3	6	CSCC[C@H](O)C(=O)NC[C@H]1CCCC(F)(F)C1
187168630	ZINC000125072443	ref	0.45	-51.67	1	269.276	-0.128	2	3	5	COc1ccc(N(C)C(=O)CNC(=O)C[NH3+])cc1F
187168631	ZINC000125072443	mid	0.05	-12.28	0	269.276	-0.128	2	4	5	COc1ccc(N(C)C(=O)CNC(=O)CN)cc1F
343993587	ZINC000599269773	mid	6.15	-45.06	1	272.348	1.936	2	3	4	N#CC1(C[C@@H](O)C[N@H+]2CCOc3ccccc3C2)CC1
343993588	ZINC000599269773	mid	3.97	-12.58	0	272.348	1.936	1	4	4	N#CC1(C[C@@H](O)CN2CCOc3ccccc3C2)CC1
187168632	ZINC000125069300	ref	5.63	-6.1	0	268.332	3.362	0	3	4	Cc1nc(CN(C)Cc2c(F)cccc2F)cs1
343993590	ZINC000599270676	ref	8.14	-9.01	0	283.368	1.602	0	4	8	CCO[C@H](C(=O)N(C[C@@H](C)C(=O)OC)C1CC1)C1CC1
343993593	ZINC000599268730	ref	8.59	-47.34	1	270.373	1.274	1	3	6	CCC(=O)N1CCC[N@H+](CCCCC(=O)OC)CC1
214182363	ZINC000337618450	ref	3.98	-7.42	0	291.338	2.348	2	3	5	O=C(CC1(O)CCCC1)N[C@@H]1CCCC[C@H]1OC(F)F
214182366	ZINC000337617743	ref	6.78	-7.09	0	253.386	3.077	1	2	5	CC(=O)CCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1
136229062	ZINC000292812179	mid	4.5	-9.44	0	245.326	1.651	1	4	7	C#CCN(C)CCCNc1ccc(C(C)=O)cn1
342087501	ZINC000621361534	ref	3.22	-14.55	0	264.329	1.135	1	5	3	COc1nc(C)nc(N[C@@H]2CCN(C(C)=O)C2)c1C
323004398	ZINC000561583134	ref	6.53	-6.8	0	240.391	3.443	2	1	7	CCCC[C@H](CCC)NC(=O)N[C@H]1CC[C@@H]1C
187168633	ZINC000125072967	ref	3.42	-53.85	1	273.13	1.476	1	2	1	C[C@@H]1C[NH2+]CCN1C(=O)c1coc(Br)c1
187168634	ZINC000125072967	mid	2.11	-8.11	0	273.13	1.476	1	3	1	C[C@@H]1CNCCN1C(=O)c1coc(Br)c1
259309333	ZINC000323019936	ref	3.42	-13.85	0	236.319	1.284	2	4	5	CCc1nc(C)cc(N[C@H](C)CC(=O)NC)n1
342087502	ZINC000048400629	ref	5.06	-11.13	0	295.339	1.339	1	6	5	COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1cc(C)on1
214182362	ZINC000053422732	ref	7.86	-18.06	0	339.355	1.94	1	7	7	COCCOc1cccc(C(=O)Nc2ccc(-n3cncn3)nc2)c1
342087503	ZINC000048400629	low	6.78	-45.66	1	295.339	1.339	2	5	5	COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)on1
219047762	ZINC000286548032	low	9.89	-45.47	1	316.788	3.469	1	3	4	COC(=O)c1ccc(C[N@H+]2CC[C@@H]2c2ccc(Cl)cc2)nc1
230723517	ZINC000425411578	ref	9.27	-43.96	1	308.466	2.382	1	2	5	CO[C@@H](C[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1)C1CC1
230723520	ZINC000425414047	ref	10.91	-31.91	1	319.401	2.361	1	4	7	COC(=O)C[C@H]1CCC[N@@H+]1CC[C@@H](C(=O)OC)c1ccccc1
214182367	ZINC000053432469	ref	8.87	-16.22	0	329.4	2.522	0	5	6	CCN(C[C@@H]1CCCO1)C(=O)c1nn(-c2ccccc2)cc1OC
219047765	ZINC000286548349	ref	9.56	-10.07	0	320.462	3.301	1	5	4	CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)s1)c1nncn1C
342087504	ZINC000048400629	low	7.11	-45.49	1	295.339	1.339	2	5	5	COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)on1
219047772	ZINC000286545920	ref	3.94	-18.59	0	320.418	1.256	1	4	3	CCc1[nH]ccc1C(=O)N1CC[S@](=O)C[C@H]1c1cnn(C)c1
219047775	ZINC000286548177	ref	2.64	-5.35	0	317.227	2.414	3	4	5	CC(C)(C)[C@H](O)C[C@@H](CO)Nc1ncccc1Br
219047780	ZINC000286545964	ref	6.49	-9.4	0	320.433	2.298	0	4	3	CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cc(C)n(C)c1C
342087505	ZINC000622702140	ref	4.16	-13.18	0	275.356	1.492	2	4	6	CCn1ccc(CNC(=O)CCc2c(C)n[nH]c2C)n1
214182371	ZINC000053440282	ref	7.7	-36.75	1	329.282	3.608	2	2	9	CC[C@@H](C)[N@H+](CCNc1cccc(Br)c1)CCOC
219047783	ZINC000286547289	ref	7.04	-13.01	0	303.337	2.57	1	5	4	OC[C@]1(F)CCCN(c2nccc(Oc3ccccc3)n2)C1
219047787	ZINC000286548398	ref	4.98	-4.72	0	307.743	3.333	2	1	3	OC[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F
219047790	ZINC000286548398	mid	6.84	-44.03	1	307.743	3.333	2	1	3	OC[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F
219047792	ZINC000286548398	mid	4.98	-4.72	0	307.743	3.333	1	2	3	OC[C@@H]1CN(Cc2cccc(Cl)c2)CC[C@@H]1C(F)(F)F
230723522	ZINC000425414047	mid	10.46	-40.31	1	319.401	2.361	1	4	7	COC(=O)C[C@H]1CCC[N@H+]1CC[C@@H](C(=O)OC)c1ccccc1
219047795	ZINC000286546789	ref	11.05	-16.35	0	316.796	3.298	1	6	5	CCCc1cc(N[C@H](C)c2ccc(Cl)cn2)n2ncnc2n1
219047799	ZINC000286547858	ref	4.56	-10.14	0	321.805	1.734	0	4	3	CN(C)S(=O)(=O)[C@H]1CCCN(c2ncc(Cl)cc2F)C1
342087506	ZINC000048400590	ref	2.99	-10.53	0	296.289	1.082	1	4	5	COC(=O)C[C@H]1CCCCN1CC(=O)NCC(F)(F)F
214182370	ZINC000337616090	ref	5.13	-7.83	0	285.428	2.306	1	3	7	C[C@H]1C[C@H](CC(=O)N(C)CCOCCO)CC(C)(C)C1
187168635	ZINC000125078468	ref	8.68	-32.73	1	274.408	2.483	2	1	6	CC[C@H](C(=O)NCC1(c2ccccc2C)CC1)[NH+](C)C
214182373	ZINC000337615605	ref	7.67	-16.92	0	287.363	2.167	0	4	5	COc1c(C)cc(CN(C)C(=O)Cn2cccn2)cc1C
342594504	ZINC000616960869	ref	3.23	-19.25	0	290.363	1.584	2	3	6	CC[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(OC)cc1
136229063	ZINC000184913679	ref	6.71	-7.87	0	237.368	3.009	1	2	6	C=C(C)C[C@H](C)C(=O)NCCc1cccs1
214182376	ZINC000337617755	ref	9.13	-9.11	0	297.402	3.023	1	3	6	CC[C@@H]1C[C@@]1(NC(=O)CCn1cccn1)c1cccc(C)c1
342594505	ZINC000616961098	ref	2.83	-20.07	0	288.347	1.199	2	3	3	O=C(N[C@@H]1CCNC1=O)c1cccc([C@H]2CCCOC2)c1
187168636	ZINC000125078468	high	6.69	-6.04	0	274.408	2.483	1	2	6	CC[C@H](C(=O)NCC1(c2ccccc2C)CC1)N(C)C
282121789	ZINC000248964914	mid	6.15	-47.91	1	321.377	1.935	3	4	6	Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H](C)[C@H]1CO
342594506	ZINC000616961097	ref	2.83	-20.11	0	288.347	1.199	2	3	3	O=C(N[C@H]1CCNC1=O)c1cccc([C@@H]2CCCOC2)c1
214182386	ZINC000337620350	ref	2.63	-18.61	0	293.327	0.192	2	6	8	COCCOCCNC(=O)NCc1nnc2ccccn12
214182391	ZINC000337620277	ref	2.38	-14.44	0	253.302	0.172	1	5	4	CC[C@@]1(O)CCN(C(=O)COc2cnn(C)c2)C1
342594507	ZINC000616961096	ref	2.83	-19.99	0	288.347	1.199	2	3	3	O=C(N[C@H]1CCNC1=O)c1cccc([C@H]2CCCOC2)c1
214182396	ZINC000337618676	ref	-0.98	-50.0	1	295.405	-0.969	4	4	7	C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@](C)(O)C[NH+](C)C
214182399	ZINC000337618676	mid	-2.86	-19.12	0	295.405	-0.969	3	5	7	C[C@H](CS(C)(=O)=O)NC(=O)NC[C@@](C)(O)CN(C)C
214182401	ZINC000337618958	ref	6.24	-7.85	0	297.349	3.45	2	2	5	CC(C)N(C)c1cccc(NC(=O)NC2(C(F)F)CC2)c1
187168637	ZINC000125071696	ref	0.85	-13.22	0	263.297	1.56	3	4	6	CC[C@H](O)CCNC(=O)c1cc(-c2ccco2)n[nH]1
214182407	ZINC000337620322	ref	3.43	-18.5	0	299.371	0.054	1	4	3	COCC(=O)N1CCC(NC(=O)N2CCO[C@H](C)C2)CC1
214182411	ZINC000337616471	ref	7.71	-13.04	0	292.342	3.286	2	3	4	CCc1cccnc1NC(=O)c1cc(-c2ccccc2)[nH]n1
230236036	ZINC000336817522	mid	-0.78	-11.43	0	294.373	-1.124	1	6	5	COC(=O)[C@](C)(O)CN(C)[C@H]1CCN(S(C)(=O)=O)C1
187168638	ZINC000125077434	ref	1.27	-7.25	0	269.37	2.072	2	4	4	CC[C@H](NC(=O)N[C@]1(C)CCOC1)c1nccs1
187168639	ZINC000125071961	ref	2.6	-13.06	0	298.77	1.872	2	3	4	COc1ccc(CNC(=O)N2CC[C@@H](CO)C2)cc1Cl
365630967	ZINC000274348819	high	4.44	-12.3	0	272.356	1.844	1	5	3	Cc1nnc([C@@H]2CCCN([C@@H](C)c3cnccn3)C2)[nH]1
365630972	ZINC000274348822	ref	5.94	-45.91	1	272.356	1.844	2	4	3	Cc1nnc([C@@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)[nH]1
365630978	ZINC000274348822	mid	6.4	-43.71	1	272.356	1.844	2	4	3	Cc1nnc([C@@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)[nH]1
192339490	ZINC000081926572	ref	9.38	-7.97	0	307.459	3.543	0	3	4	COc1ccc([C@H](C)CC(=O)N2CCSC(C)(C)C2)cc1
342087507	ZINC000048400590	low	5.47	-42.38	1	296.289	1.082	2	3	5	COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NCC(F)(F)F
349534246	ZINC000602429056	ref	6.92	-31.86	1	243.347	1.829	1	3	5	CC[C@](C)(C[N@@H+]1CCCC[C@H]1C(=O)OC)OC
349534252	ZINC000602429056	mid	7.06	-31.66	1	243.347	1.829	1	3	5	CC[C@](C)(C[N@H+]1CCCC[C@H]1C(=O)OC)OC
342087508	ZINC000048400590	low	5.29	-37.42	1	296.289	1.082	2	3	5	COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NCC(F)(F)F
192339493	ZINC000081926216	ref	2.34	-11.0	0	318.42	1.155	1	5	3	CNS(=O)(=O)c1ccc(C(=O)N2CCSC(C)(C)C2)o1
192339495	ZINC000081926216	mid	1.88	-37.05	-1	318.42	1.155	0	5	3	C[N-]S(=O)(=O)c1ccc(C(=O)N2CCSC(C)(C)C2)o1
349534254	ZINC000602429056	mid	7.05	-3.83	0	243.347	1.829	0	4	5	CC[C@](C)(CN1CCCC[C@H]1C(=O)OC)OC
349534258	ZINC000602429188	ref	1.29	-8.77	0	229.301	0.959	1	5	5	COC(=O)c1csc(CN(C)CCO)c1
342087509	ZINC000622702172	ref	3.66	-16.23	0	278.327	1.356	2	2	4	CC(C)(C(=O)NC[C@H]1CNC(=O)C1)c1ccc(F)cc1
136229064	ZINC000184900625	ref	6.59	-11.17	0	223.316	1.816	0	2	3	CC#CCCCC(=O)N1C[C@H](C)O[C@H](C)C1
192339497	ZINC000081923831	ref	4.13	-14.7	0	305.399	2.31	1	4	6	COc1ccccc1[C@@H](N)CS(=O)(=O)Cc1ccccc1
342087510	ZINC000625368229	ref	0.38	-13.25	0	298.412	1.095	3	3	5	O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]cn1
349534261	ZINC000602429188	mid	3.65	-38.64	1	229.301	0.959	2	4	5	COC(=O)c1csc(C[N@H+](C)CCO)c1
342087511	ZINC000625368229	mid	1.05	-50.51	-1	298.412	1.095	3	3	5	O=S(=O)(NC[C@H]1CC[N@H+]1C1CCCCC1)c1c[nH]cn1
192339499	ZINC000081923831	mid	4.5	-48.25	1	305.399	2.31	1	3	6	COc1ccccc1[C@@H]([NH3+])CS(=O)(=O)Cc1ccccc1
342087512	ZINC000625368229	mid	0.38	-13.25	0	298.412	1.095	2	4	5	O=S(=O)(NC[C@H]1CCN1C1CCCCC1)c1c[nH]cn1
230723530	ZINC000414274216	ref	8.81	-19.49	0	307.459	3.071	0	2	6	CCCC[S@](=O)CC(=O)N(C)[C@H]1CCCc2ccccc21
349534264	ZINC000602429188	mid	3.63	-39.61	1	229.301	0.959	2	4	5	COC(=O)c1csc(C[N@@H+](C)CCO)c1
349536125	ZINC000258993183	mid	9.06	-34.13	0	237.274	2.122	1	2	5	C[N@@H+](Cc1ccccc1F)CC1(C(=O)[O-])CC1
342087513	ZINC000625368229	high	1.05	-50.51	-1	298.412	1.095	1	4	5	O=S(=O)([N-]C[C@H]1CCN1C1CCCCC1)c1c[nH]cn1
342087514	ZINC000622702150	ref	3.22	-17.9	0	284.718	1.274	2	2	4	O=C(Cc1cccc(Cl)c1F)NC[C@H]1CNC(=O)C1
210257252	ZINC000272863858	ref	8.58	-9.6	0	322.401	3.342	0	5	7	CC[C@H]1C[C@@H](CC(=O)OCc2cccc(OC)c2OC)CCO1
214182372	ZINC000278481500	ref	5.88	-16.67	0	305.422	2.319	2	3	4	Cc1ccc(CNC(=O)NC[C@H]2CCCC[C@H]2C)c(=O)n1C
342087515	ZINC000609030834	ref	3.56	-13.59	0	261.325	1.834	2	4	6	COc1ccc(C)cc1NC(=O)CN[C@H](C)CC#N
230723526	ZINC000425414047	high	8.54	-8.45	0	319.401	2.361	0	5	7	COC(=O)C[C@H]1CCCN1CC[C@@H](C(=O)OC)c1ccccc1
365630969	ZINC000336548244	ref	6.27	-9.39	0	275.348	2.352	1	3	3	CC(=O)c1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)ccc1C
210257260	ZINC000272864312	ref	7.59	-20.0	0	323.396	3.261	1	3	4	Cc1cc(N(C)C(=O)c2cccc(NC(=O)[C@@H]3C[C@@H]3C)c2)ccn1
342087516	ZINC000609030834	low	4.78	-50.6	1	261.325	1.834	2	3	6	COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C)CC#N
342087517	ZINC000609033103	ref	4.37	-20.01	0	250.327	1.131	1	5	4	CSCCNC(=O)c1cnn2ccc(C)nc12
210257270	ZINC000272863888	ref	7.17	-13.34	0	314.389	2.801	1	5	5	CC[C@@H]1C[C@H](CC(=O)Nc2ccc(-n3cccn3)nc2)CCO1
210257277	ZINC000272864109	ref	6.11	-43.82	1	319.38	1.298	3	2	4	O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
210257281	ZINC000272864109	mid	5.77	-45.06	1	319.38	1.298	3	2	4	O=C(CNC(=O)c1cccc(F)c1)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214182375	ZINC000278481437	ref	6.74	-11.15	0	323.462	2.694	1	4	5	CS[C@@H](C)CNC(=O)N1CCC(Oc2ccncc2C)CC1
365630975	ZINC000336548889	ref	5.07	-54.8	-1	260.268	2.165	2	3	3	Cc1ccc(O)c(C(=O)NCc2ccc(F)cn2)c1
342087518	ZINC000048400726	ref	4.0	-11.67	0	290.363	1.703	2	3	5	COC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1
398248065	ZINC000651457752	mid	7.0	-49.09	1	295.308	3.474	2	1	3	Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21
342087519	ZINC000048400726	mid	6.14	-50.38	1	290.363	1.703	2	3	5	COC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1
365630981	ZINC000336548889	high	5.07	-54.8	-1	260.268	2.165	1	3	3	Cc1ccc([O-])c(C(=O)NCc2ccc(F)cn2)c1
214182378	ZINC000278481437	mid	7.18	-41.13	1	323.462	2.694	1	3	5	CS[C@@H](C)CNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1
259309334	ZINC000323019936	mid	3.92	-29.4	1	236.319	1.284	2	3	5	CCc1nc(N[C@H](C)CC(=O)NC)cc(C)[nH+]1
210257286	ZINC000272863954	ref	2.12	-26.62	0	314.411	0.482	2	5	9	C=CCS(=O)(=O)CCNC(=O)NCCCn1ccnc1C
398248066	ZINC000649442353	ref	7.2	-7.11	0	204.248	2.843	0	2	1	Cc1ccc(-c2cn(C)nc2C)cc1F
342087520	ZINC000048400726	high	4.0	-11.67	0	290.363	1.703	1	4	5	COC(=O)C[C@@H]1CCCCN1Cc1ccc(C(N)=O)cc1
342087521	ZINC000048400727	ref	3.41	-13.37	0	290.363	1.703	2	3	5	COC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccc(C(N)=O)cc1
210257288	ZINC000272863954	mid	2.59	-50.92	1	314.411	0.482	2	4	9	C=CCS(=O)(=O)CCNC(=O)NCCCn1cc[nH+]c1C
342087522	ZINC000048400727	mid	5.82	-42.91	1	290.363	1.703	2	3	5	COC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(C(N)=O)cc1
398248068	ZINC000649442549	ref	2.41	-8.23	0	209.274	1.861	0	5	2	COc1cc(-c2cn(C)nc2C)sn1
210257293	ZINC000272864133	ref	4.65	-9.53	0	324.852	3.071	2	3	6	Cc1c(Cl)cccc1NC(=O)CN1CCC(CCCO)CC1
214182374	ZINC000053440282	mid	7.04	-35.69	1	329.282	3.608	2	2	9	CC[C@@H](C)[N@@H+](CCNc1cccc(Br)c1)CCOC
210257299	ZINC000272864133	mid	6.82	-44.94	1	324.852	3.071	3	2	6	Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CCCO)CC1
210257306	ZINC000272864134	ref	6.72	-9.26	0	307.459	3.252	1	3	4	O=C(c1cc2c(s1)CCCC2)N1CCC(CCCO)CC1
210257312	ZINC000272864369	ref	3.81	-14.29	0	317.364	2.394	1	4	4	O=C(c1cc(F)cc2nccnc12)N1CCC(CCCO)CC1
214182379	ZINC000053443842	ref	2.05	-20.88	0	329.312	1.794	2	6	6	COCCOc1ncccc1C(=O)Nc1ccc2oc(=O)[nH]c2c1
342087523	ZINC000048400727	high	3.41	-13.37	0	290.363	1.703	1	4	5	COC(=O)C[C@H]1CCCCN1Cc1ccc(C(N)=O)cc1
136229065	ZINC000232465887	ref	4.15	-36.18	1	220.316	1.999	2	2	3	c1cc2c(o1)CCC[C@@H]2NC[C@H]1CCC[NH2+]1
342087524	ZINC000625366240	ref	2.64	-10.19	0	284.322	1.492	2	2	9	CCCN(CC(F)(F)F)C(=O)C[N@H+](C)CCCCO
342087525	ZINC000625366240	mid	4.89	-41.6	1	284.322	1.492	2	2	9	CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)CCCCO
342087526	ZINC000625366240	mid	2.64	-10.19	0	284.322	1.492	1	3	9	CCCN(CC(F)(F)F)C(=O)CN(C)CCCCO
342087527	ZINC000621361567	ref	1.55	-34.1	1	259.39	1.113	3	3	5	C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CO
342087528	ZINC000621361567	mid	2.04	-36.82	1	259.39	1.113	3	3	5	C[C@@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@H]1CO
342087529	ZINC000621361881	ref	2.51	-10.45	0	294.37	1.392	3	2	5	C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C[C@H]1CO
342087530	ZINC000621361881	mid	4.68	-36.36	1	294.37	1.392	3	2	5	C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C[C@H]1CO
349534249	ZINC000594967921	ref	9.33	-23.47	1	262.353	2.562	1	3	5	CCc1ccc(C)[nH+]c1N[C@H](C)[C@@H]1C[C@@H]1C(=O)OC
187168640	ZINC000125077863	ref	4.48	-14.59	0	264.373	2.011	2	4	6	CNC(=O)Cn1cc(NCCC2CCCCC2)cn1
214182377	ZINC000293552735	ref	1.62	-23.39	0	367.427	0.711	2	5	2	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@@H]2C)c1
214182384	ZINC000293541651	ref	1.48	-13.73	0	371.484	0.874	2	5	4	CSC[C@H]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
214182388	ZINC000293546132	ref	0.53	-11.68	0	362.39	0.665	2	8	6	CCc1nc(C)c(CNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)o1
214182393	ZINC000293544875	ref	0.39	-13.85	0	354.354	0.584	1	5	3	CC(C)[C@H]1C(=O)NCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F
306234629	ZINC000557903583	ref	6.18	-25.83	0	334.445	1.778	1	5	4	CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)c2ccnc3c2ncn3C)C1
214182397	ZINC000293546355	ref	5.08	-48.11	1	356.444	0.944	1	5	6	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CC[C@H]([NH+](C)C)C2)c1
214182404	ZINC000293546355	mid	2.67	-11.34	0	356.444	0.944	0	6	6	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CC[C@H](N(C)C)C2)c1
214182409	ZINC000293550910	ref	10.06	-49.55	1	363.51	0.905	1	6	8	CC1=C(C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@H](C)n2ncnc2N1C
214182416	ZINC000293550910	mid	10.06	-49.77	1	363.51	0.905	1	6	8	CC1=C(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@H](C)n2ncnc2N1C
214182419	ZINC000293550910	mid	10.21	-44.89	1	363.51	0.905	1	6	8	CC1=C(C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@H](C)n2ncnc2N1C
214182423	ZINC000293543274	ref	3.23	-50.3	1	364.475	0.59	1	7	4	C[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[N@@H+]1C
214182429	ZINC000293543274	mid	2.8	-50.77	1	364.475	0.59	1	7	4	C[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[N@H+]1C
214182432	ZINC000293543274	mid	1.0	-16.78	0	364.475	0.59	0	8	4	C[C@H]1CN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)C[C@@H](C)N1C
342087531	ZINC000621361881	mid	2.51	-10.45	0	294.37	1.392	2	3	5	C[C@@H]1CCN(CC(=O)NCc2ccccc2F)C[C@H]1CO
342087532	ZINC000622702169	ref	4.9	-11.93	0	258.325	1.547	1	4	6	CCn1ccc(CNC(=O)CCc2ccncc2)n1
342087533	ZINC000625366481	ref	9.19	-42.75	1	280.412	1.888	1	2	5	CCO[C@@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CC1
342087534	ZINC000625366481	high	7.05	-9.52	0	280.412	1.888	0	3	5	CCO[C@@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1
342087535	ZINC000625366394	ref	6.33	-11.83	0	257.374	1.932	0	3	6	CCO[C@@H](C(=O)N(C)C[C@@H]1CCCOC1)C(C)C
210257321	ZINC000272864285	ref	7.17	-49.34	1	322.43	2.285	2	4	6	COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCSC2)c1
210257326	ZINC000272864072	ref	5.95	-9.65	0	313.85	3.295	1	3	4	CCSc1ccc(Cl)cc1C(=O)N1CC[C@H]([C@H](C)O)C1
342087536	ZINC000048400648	ref	8.11	-39.39	1	282.384	1.416	1	3	4	COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1
342087537	ZINC000048400648	mid	7.94	-35.98	1	282.384	1.416	1	3	4	COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)N1CCCCC1
342087538	ZINC000048400648	mid	5.65	-11.95	0	282.384	1.416	0	4	4	COC(=O)C[C@H]1CCCCN1CC(=O)N1CCCCC1
342087539	ZINC000622702170	ref	4.79	-11.98	0	273.34	1.444	1	5	5	CCn1ccc(CNC(=O)c2cnn(C)c2C2CC2)n1
342087540	ZINC000625366479	ref	8.92	-42.71	1	280.412	1.888	1	2	5	CCO[C@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CC1
342087541	ZINC000625366479	high	6.74	-9.55	0	280.412	1.888	0	3	5	CCO[C@H](C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1
342087542	ZINC000625366390	ref	6.07	-10.72	0	257.374	1.932	0	3	6	CCO[C@@H](C(=O)N(C)C[C@H]1CCCOC1)C(C)C
210257219	ZINC000019523749	ref	8.87	-16.73	0	393.413	3.766	1	5	5	CCn1nc(C)c([C@@H](C)NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)c1C
342087543	ZINC000622702164	ref	3.4	-15.81	0	289.379	1.633	2	3	5	CCc1nc(C(C)C)ccc1C(=O)NC[C@H]1CNC(=O)C1
210257223	ZINC000019524340	ref	8.85	-15.57	0	380.423	2.865	1	4	5	CCn1c(CNC(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21
342087544	ZINC000048400628	ref	4.62	-12.55	0	295.339	1.339	1	6	5	COC(=O)C[C@H]1CCCCN1CC(=O)Nc1cc(C)on1
342087545	ZINC000048400628	low	7.11	-45.4	1	295.339	1.339	2	5	5	COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)on1
342087546	ZINC000048400628	low	6.91	-39.93	1	295.339	1.339	2	5	5	COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)on1
299072133	ZINC000567661991	ref	5.29	-7.48	0	288.391	2.393	3	2	6	O=C(N[C@H](CO)CC1CCC1)N[C@@H]1C[C@@H]1c1ccccc1
210257229	ZINC000019524045	ref	8.74	-10.02	0	398.85	4.757	1	6	5	CCn1ncc(-c2cc(C(=O)N[C@H](C)c3cc4cc(Cl)ccc4o3)no2)c1C
210257232	ZINC000019522325	ref	10.16	-36.55	1	395.473	3.932	1	4	4	CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CC[NH+](CC)CC3)cc2n1
342087547	ZINC000625368038	ref	3.03	-37.36	1	253.317	1.977	2	2	5	CC[C@]1([NH2+]Cc2cc(CO)ccc2F)CCOC1
342087548	ZINC000625368038	high	2.03	-5.54	0	253.317	1.977	2	3	5	CC[C@]1(NCc2cc(CO)ccc2F)CCOC1
342087549	ZINC000621361484	ref	0.14	-4.68	0	261.778	1.642	1	5	3	C[C@@H]1CCN(Cc2nnsc2Cl)C[C@@H]1CO
210257236	ZINC000019522325	high	7.81	-9.94	0	395.473	3.932	0	5	4	CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C3CCN(CC)CC3)cc2n1
210257242	ZINC000019526055	ref	3.36	-12.41	0	383.543	1.873	0	7	6	CCCn1cc(S(=O)(=O)N2CCN(Cc3csc(C)n3)CC2)c(C)n1
214182381	ZINC000278481017	ref	1.12	-7.29	0	302.374	1.447	2	5	9	OCCN(CCO)Cc1cncc(OCc2ccccc2)c1
342594508	ZINC000616961335	ref	4.14	-16.75	0	258.321	1.185	2	2	4	O=C1NCC[C@H]1NC(=O)[C@@H](c1ccccc1)C1CC1
259309335	ZINC000306320742	ref	7.92	-40.32	1	213.39	3.05	1	1	3	CC1(C)SC[C@@H]1[NH2+]CC1CCCCC1
210257246	ZINC000019525875	ref	6.42	-18.94	0	382.464	2.399	1	5	3	CCCn1ncc(C(=O)N2CCC[C@]3(CNC(=O)c4ccccc4O3)C2)c1C
214182383	ZINC000278481017	mid	2.67	-40.0	1	302.374	1.447	3	4	9	OCC[NH+](CCO)Cc1cncc(OCc2ccccc2)c1
398248067	ZINC000651458220	ref	7.39	-7.06	0	283.375	3.371	1	4	7	C[C@H](COCC1CC1)Nc1cncc(-c2ccccc2)n1
210257251	ZINC000019526938	ref	8.06	-14.48	0	395.507	1.522	0	5	5	CCN1C[C@H](C(=O)N2CCN([C@@H](c3ccccc3)c3nccn3C)CC2)CC1=O
210257255	ZINC000019526938	low	8.3	-41.16	1	395.507	1.522	0	4	5	CCN1C[C@H](C(=O)N2CCN([C@@H](c3ccccc3)c3[nH+]ccn3C)CC2)CC1=O
342594509	ZINC000616962772	ref	2.62	-17.47	0	276.336	1.193	2	3	5	COc1cccc([C@H](C)CC(=O)N[C@H]2CCNC2=O)c1
342594510	ZINC000616961254	ref	3.1	-15.96	0	252.358	1.453	2	2	2	C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCNC2=O)CC(C)(C)C1
398248070	ZINC000651458640	ref	7.44	-11.81	0	290.329	3.303	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC[C@H](CC(F)(F)F)C1
210257261	ZINC000019524961	ref	9.87	-15.12	0	394.523	2.604	0	6	6	CCn1cc(CN2CCN(C(=O)CCn3cnc4cc(C)c(C)cc43)CC2)cn1
290622270	ZINC000492520966	ref	3.03	-10.47	0	261.321	2.091	2	3	4	O=C(/C=C\c1ccc(O)cc1)NC[C@@H]1CCCCO1
214182387	ZINC000278480542	ref	7.27	-22.89	0	314.393	1.364	1	5	4	Cn1nccc1CC(=O)N1CCC[C@H](c2nnc(C3CC3)[nH]2)C1
210256136	ZINC000428366354	ref	0.43	-21.24	0	328.336	0.35	2	6	5	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)CN3CN=NC3=O)n2)c1
214182390	ZINC000278480542	mid	6.71	-19.61	0	314.393	1.364	1	5	4	Cn1nccc1CC(=O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1
342594511	ZINC000616961202	ref	3.78	-19.48	0	282.29	1.292	2	2	5	O=C(CCCc1cc(F)ccc1F)N[C@H]1CCNC1=O
342594512	ZINC000616960956	ref	3.24	-15.61	0	252.358	1.598	2	2	3	CC1(C)CCC[C@H](CC(=O)N[C@@H]2CCNC2=O)C1
282952129	ZINC000459493867	ref	9.84	-41.2	1	277.383	3.3	1	1	4	FCCCC[NH+]1CCC2(CC1)OCCc1ccccc12
361823247	ZINC000614362744	ref	5.51	-16.92	0	318.377	1.072	3	5	8	CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCCCc1nnc[nH]1
185087390	ZINC000096070945	ref	2.33	-42.93	1	267.354	0.283	2	4	3	O=C(c1cscn1)N1CCC2(C1)C[NH+](CCO)C2
185087391	ZINC000096070945	mid	-0.81	-10.18	0	267.354	0.283	1	5	3	O=C(c1cscn1)N1CCC2(CN(CCO)C2)C1
136229066	ZINC000232465887	low	5.53	-122.06	2	220.316	1.999	2	1	3	c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1
342087550	ZINC000625368230	ref	0.6	-12.15	0	298.412	1.095	3	3	5	O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1c[nH]cn1
342087551	ZINC000625368230	mid	1.17	-50.46	-1	298.412	1.095	3	3	5	O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1c[nH]cn1
342087552	ZINC000625368230	mid	0.6	-12.15	0	298.412	1.095	2	4	5	O=S(=O)(NC[C@@H]1CCN1C1CCCCC1)c1c[nH]cn1
342087553	ZINC000625368230	high	1.17	-50.46	-1	298.412	1.095	1	4	5	O=S(=O)([N-]C[C@@H]1CCN1C1CCCCC1)c1c[nH]cn1
349534251	ZINC000618812511	mid	7.82	-40.07	1	275.414	1.638	1	4	7	COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@@H]1CCSC1
342087554	ZINC000621361568	ref	1.81	-34.57	1	259.39	1.113	3	3	5	C[C@@H]1CC[N@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CO
361823252	ZINC000614362744	mid	4.7	-17.58	0	318.377	1.072	3	5	8	CC(C)(O)[C@@H](Oc1ccccc1)C(=O)NCCCc1nc[nH]n1
361823255	ZINC000614363494	ref	7.1	-16.41	0	316.409	1.718	0	6	5	CCn1ccnc1[C@H]1CCCCN1C(=O)CCc1cn(C)nn1
361823262	ZINC000614363494	low	7.59	-32.1	1	316.409	1.718	0	5	5	CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)CCc1cn(C)nn1
361823267	ZINC000614362624	ref	5.31	-13.88	0	302.374	1.435	1	3	4	C=C[C@@](C)(O)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1
361823276	ZINC000614362627	ref	5.03	-16.22	0	302.374	1.435	1	3	4	C=C[C@@](C)(O)C(=O)N1CC[C@H](C(=O)N(C)c2ccccc2)C1
361823282	ZINC000614362132	ref	7.43	-42.39	1	323.481	1.87	2	2	4	CC(C)CN1C[C@@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1=O
361823288	ZINC000614361148	ref	5.07	-16.88	0	324.384	1.184	1	4	6	O=C1NCC[C@@H]1C(=O)N(CCc1ccccn1)Cc1cccnc1
361823304	ZINC000614362439	ref	6.32	-9.65	0	311.385	1.819	1	4	7	O=C([C@@H](O)C1CC1)N(CCc1ccccn1)Cc1cccnc1
361823315	ZINC000614362702	ref	7.4	-16.3	0	302.378	1.885	2	4	9	CCc1ccccc1OCCC(=O)NCCCc1nnc[nH]1
361823321	ZINC000614362702	mid	7.0	-13.8	0	302.378	1.885	2	4	9	CCc1ccccc1OCCC(=O)NCCCc1nc[nH]n1
398248069	ZINC000649442562	ref	7.26	-5.63	0	245.347	3.907	0	3	4	Cc1cc(-c2cccnc2OCC2CC2)cs1
219047771	ZINC000350683885	ref	4.48	-7.27	0	283.759	2.224	2	3	5	CC[C@@H](C)[C@@H](NC(C)=O)C(=O)Nc1ccc(Cl)cn1
282121790	ZINC000151626773	ref	7.86	-41.01	1	302.422	2.331	2	2	3	Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C)n1
343993595	ZINC000599268730	mid	8.57	-47.42	1	270.373	1.274	1	3	6	CCC(=O)N1CCC[N@@H+](CCCCC(=O)OC)CC1
282121796	ZINC000151626773	mid	7.05	-40.59	1	302.422	2.331	2	2	3	Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)n1
187168645	ZINC000125069434	ref	9.49	-63.64	-1	279.311	2.08	0	3	3	C[C@H]1CCN(C(=O)Cc2ccc(F)cc2)[C@H](C(=O)[O-])C1
282121804	ZINC000151626773	high	4.6	-10.64	0	302.422	2.331	1	3	3	Cc1cccc([C@H]2CCCN2C(=O)NC[C@@H]2CCCN2C)n1
219047779	ZINC000350689047	ref	4.27	-17.53	0	293.277	2.439	2	4	4	Cc1cccc(NC(=O)NCc2nccc(C(F)F)n2)n1
282121808	ZINC000151625413	ref	2.49	-15.35	0	300.428	2.409	3	5	6	CCCc1nnc(NC(=O)N[C@H](CCO)C(C)(C)C)s1
214182406	ZINC000053423877	ref	9.72	-14.61	0	346.46	1.826	0	7	8	C=CCn1c(SCC(=O)N(C)Cc2cnn(C)c2)nnc1C1CC1
219047782	ZINC000350694991	ref	9.0	-10.8	0	272.392	3.466	0	2	3	CC(C)[C@H]1N(C(=O)c2cccnc2C2CC2)CC1(C)C
214182410	ZINC000053423902	ref	8.09	-11.28	0	329.4	1.961	0	5	6	COC(=O)[C@H]1CCCCN1CC(=O)N(CCC#N)c1ccccc1
187168646	ZINC000125077261	ref	4.15	-53.18	1	293.342	0.305	2	2	4	C[C@@H]1C[NH2+]CCN1C(=O)CNC(=O)Cc1cccc(F)c1
365630974	ZINC000122676051	high	7.45	-18.75	0	276.299	2.458	0	5	3	Cn1c(C(C#N)C(=O)c2cccnc2)nc2ccccc21
365630980	ZINC000122663070	ref	7.24	-41.08	1	290.411	2.188	1	4	4	COc1cc(N2CC[NH+](CC3CCCCC3)CC2)ncn1
214182413	ZINC000053427825	ref	8.44	-19.25	0	341.411	1.938	0	5	6	CCN(C[C@@H]1CCCO1)C(=O)Cn1nc(-c2ccccc2)ccc1=O
214182420	ZINC000053434722	ref	3.94	-7.2	0	333.432	0.907	1	4	5	COc1ccc(CCN2CCN(C(=O)C(=O)NC(C)C)CC2)cc1
197590942	ZINC000290089764	ref	6.37	-6.4	0	274.343	2.537	0	4	3	C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cnn(C)n2)C1
219047785	ZINC000350686079	ref	8.31	-5.15	0	269.348	3.123	1	4	4	CO[C@@H]1CC[C@H](Nc2ncncc2-c2ccccc2)C1
214182426	ZINC000053434722	low	6.32	-45.7	1	333.432	0.907	2	3	5	COc1ccc(CC[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)cc1
219047788	ZINC000350682571	ref	4.46	-5.89	0	251.374	2.375	2	4	7	CCC(O)(CC)CCNc1ccnc(C(C)C)n1
349534253	ZINC000594967921	mid	9.11	-8.74	0	262.353	2.562	1	4	5	CCc1ccc(C)nc1N[C@H](C)[C@@H]1C[C@@H]1C(=O)OC
214182394	ZINC000278481832	ref	6.75	-52.4	1	317.393	1.651	2	4	7	Cc1ccc(CN(CC[NH+](C)C)C(=O)NCc2cccnn2)o1
214182398	ZINC000278481832	high	4.27	-13.29	0	317.393	1.651	1	5	7	Cc1ccc(CN(CCN(C)C)C(=O)NCc2cccnn2)o1
214182403	ZINC000278481399	ref	7.43	-6.32	0	310.85	2.812	0	3	3	O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CCN(C2CC2)CC1
214182405	ZINC000278481399	mid	9.77	-40.65	1	310.85	2.812	1	2	3	O=C([C@@H]1C[C@H]1c1ccc(Cl)s1)N1CC[NH+](C2CC2)CC1
214182408	ZINC000278480921	ref	4.17	-8.1	0	301.394	1.204	2	5	6	C[C@@H](CN[C@H](c1ccccc1)c1nc[nH]n1)N1CCOCC1
214182412	ZINC000278480921	mid	4.41	-10.83	0	301.394	1.204	2	5	6	C[C@@H](CN[C@H](c1ccccc1)c1nnc[nH]1)N1CCOCC1
214182414	ZINC000278480921	low	5.86	-42.1	1	301.394	1.204	2	4	6	C[C@@H](C[NH2+][C@H](c1ccccc1)c1nnc[nH]1)N1CCOCC1
214182418	ZINC000278482510	ref	5.89	-21.82	0	322.405	1.284	1	5	6	Cc1ccc(CNC(=O)[C@@H](C)OC[C@@H]2CCCCO2)c(=O)n1C
299072135	ZINC000358087250	mid	7.28	-40.03	1	322.796	1.835	1	4	6	CN(C)c1[nH+]cc(CNC(=O)COc2cccc(Cl)c2)n1C
214182425	ZINC000278480951	ref	3.86	-7.16	0	305.451	1.663	1	6	2	CC1(C)CN=C(N2CCN(Cc3ccnc(N)c3)CC2)S1
342087555	ZINC000621361568	mid	2.05	-36.68	1	259.39	1.113	3	3	5	C[C@@H]1CC[N@@H+](C[C@@H](O)COC(C)(C)C)C[C@@H]1CO
214182427	ZINC000278480951	low	6.07	-44.85	1	305.451	1.663	2	5	2	CC1(C)CN=C(N2CC[NH+](Cc3ccnc(N)c3)CC2)S1
214182430	ZINC000278481071	ref	8.19	-8.61	0	317.433	2.813	0	4	4	C=CC[C@H]1N(C(=O)C(=O)c2c(C)nn(C)c2C)CCCC1(C)C
214182435	ZINC000278480968	ref	6.54	-38.97	1	312.413	3.007	2	3	6	OC[C@@H]1CCCC[N@@H+]1Cc1cncc(OCc2ccccc2)c1
214182439	ZINC000278480968	mid	7.04	-36.69	1	312.413	3.007	2	3	6	OC[C@@H]1CCCC[N@H+]1Cc1cncc(OCc2ccccc2)c1
214182440	ZINC000278480968	mid	4.83	-7.12	0	312.413	3.007	1	4	6	OC[C@@H]1CCCCN1Cc1cncc(OCc2ccccc2)c1
214182444	ZINC000278480863	ref	5.11	-11.46	0	317.385	2.284	0	5	4	O=C(CCN1CCO[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2
342087556	ZINC000609030781	ref	3.84	-15.63	0	261.325	1.916	2	4	7	CCOc1ccc(NC(=O)CN[C@@H](C)CC#N)cc1
214182446	ZINC000278480863	mid	6.87	-49.24	1	317.385	2.284	1	4	4	O=C(CC[N@@H+]1CCO[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2
343995091	ZINC000114416256	ref	4.72	-6.04	0	216.284	2.282	2	2	2	Cc1cc(C)cc([C@](C)(O)c2ncc[nH]2)c1
210257264	ZINC000019524961	low	10.35	-41.64	1	394.523	2.604	0	5	6	CCn1cc(CN2CCN(C(=O)CCn3c[nH+]c4cc(C)c(C)cc43)CC2)cn1
210257266	ZINC000019523746	ref	5.56	-15.0	0	381.48	3.282	1	6	7	CCn1nc(C)c([C@H](C)NC(=O)CCc2nc3ccccc3nc2OC)c1C
365630982	ZINC000354697860	ref	4.68	-12.64	0	259.313	1.417	2	6	2	C[C@@H]1C[C@@H](Nc2ncnc3nc(N)ccc23)CCO1
210257271	ZINC000019524339	ref	8.92	-17.29	0	380.423	2.865	1	4	5	CCn1c(CNC(=O)[C@H]2CC(=O)N(c3cccc(F)c3)C2)nc2ccccc21
365630998	ZINC000354698412	ref	8.09	-47.5	1	290.411	1.702	1	3	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCc3nccn32)CC[N@@H+]1C
210257276	ZINC000019522477	ref	7.88	-17.31	0	383.448	2.4	1	5	5	CCc1cc(=O)[nH]c([C@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1
210257279	ZINC000019522477	high	6.79	-53.23	-1	383.448	2.4	0	5	5	CCc1cc(=O)[n-]c([C@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1
210257285	ZINC000019525089	ref	3.51	-14.83	0	390.513	1.597	0	7	4	CCn1cc(S(=O)(=O)N2CCc3nc([C@@H]4CCCCN4C)ncc3C2)cn1
210257289	ZINC000019525089	low	6.11	-40.22	1	390.513	1.597	1	6	4	CCn1cc(S(=O)(=O)N2CCc3nc([C@@H]4CCCC[N@@H+]4C)ncc3C2)cn1
210257239	ZINC000265966749	ref	0.62	-20.78	0	371.459	0.471	4	6	10	COc1cc(CNC(=O)N[C@H](C)[C@@H](CO)SC)ccc1OCC(N)=O
210257247	ZINC000265963616	ref	3.47	-16.43	0	354.428	0.917	1	5	7	CN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccccc1OCC1CC1
210257254	ZINC000265964416	ref	3.74	-32.32	0	369.468	0.952	2	6	8	CS(=O)(=O)CCOCCNC(=O)c1c[nH]c(=S)n1-c1ccccc1
210257258	ZINC000265966173	ref	4.57	-19.72	0	352.387	0.729	1	6	6	COC[C@@H]1CN(C(=O)Cc2[nH]c(C(C)=O)c(C)c2C(=O)OC)CCO1
210257263	ZINC000265966708	ref	7.07	-28.35	0	353.408	0.835	2	9	8	COC(=O)CCCc1nnc(NC(=O)N[C@@H](C)Cn2cncn2)s1
214182415	ZINC000337616471	mid	7.78	-13.18	0	292.342	3.286	2	3	4	CCc1cccnc1NC(=O)c1cc(-c2ccccc2)n[nH]1
214182417	ZINC000337616319	ref	4.45	-9.4	0	298.427	2.309	2	3	9	CCOCCC1(CNC(=O)NCCC2CCOCC2)CC1
187168647	ZINC000125077261	mid	2.83	-10.12	0	293.342	0.305	2	3	4	C[C@@H]1CNCCN1C(=O)CNC(=O)Cc1cccc(F)c1
214182422	ZINC000337618013	ref	-0.18	-15.38	0	298.339	0.829	3	5	6	COc1cc(NC(=O)N(C)C[C@H](O)CO)c(C)c(OC)c1
210256143	ZINC000428361269	ref	1.27	-15.12	0	335.47	0.771	2	4	6	CNS(=O)(=O)C[C@@H]1CCCN1C(=O)NC[C@@H](OC)C(C)(C)C
342594513	ZINC000616961283	ref	3.62	-16.13	0	264.369	1.598	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1
365630983	ZINC000274348822	mid	5.53	-42.76	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n1
365630987	ZINC000274348822	mid	5.99	-41.21	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)n1
365630992	ZINC000274348822	low	5.44	-36.73	1	272.356	1.844	2	4	3	Cc1nc([C@@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n[nH]1
365630997	ZINC000274348822	low	5.9	-35.02	1	272.356	1.844	2	4	3	Cc1nc([C@@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)n[nH]1
365631001	ZINC000274348822	high	3.7	-10.01	0	272.356	1.844	1	5	3	Cc1nc([C@@H]2CCCN([C@H](C)c3cnccn3)C2)n[nH]1
197590945	ZINC000162778285	ref	5.67	-3.05	0	305.603	3.336	1	3	3	Clc1cnc(NC[C@H]2CCCOC2)c(Br)c1
210257268	ZINC000265965762	ref	5.2	-11.21	0	350.394	0.646	1	4	3	CN1CCN(C(=O)NCc2cc(F)ccc2N2CCOCC2)CC1=O
365631007	ZINC000274348822	high	3.78	-9.03	0	272.356	1.844	1	5	3	Cc1n[nH]c([C@@H]2CCCN([C@H](C)c3cnccn3)C2)n1
365631013	ZINC000274348822	high	4.2	-12.71	0	272.356	1.844	1	5	3	Cc1nnc([C@@H]2CCCN([C@H](C)c3cnccn3)C2)[nH]1
342594514	ZINC000616960997	ref	2.45	-21.57	0	288.225	1.204	2	3	3	O=C(N[C@H]1CCNC1=O)c1ccccc1OC(F)(F)F
230723559	ZINC000425414897	ref	5.93	-17.05	0	319.361	2.028	2	4	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCCc1ccc([N+](=O)[O-])cc1
365631019	ZINC000637719757	ref	6.28	-14.71	0	293.367	1.676	1	4	4	CCc1noc(C)c1C(=O)N1CCCC[C@@H]1CNC(C)=O
365631027	ZINC000274344934	ref	8.16	-38.93	1	257.341	1.898	0	4	3	Cc1cc(N2CCC[C@@H](Cn3cncn3)C2)cc[nH+]1
365631033	ZINC000274348475	ref	1.11	-9.76	0	296.392	1.505	2	4	3	Nc1cccc(S(=O)(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)c1
365631044	ZINC000274346156	ref	3.3	-11.43	0	291.355	1.83	3	4	6	CCc1noc(CC)c1CNC(=O)NCc1c[nH]nc1C
342594515	ZINC000616960983	ref	4.23	-16.63	0	260.337	1.241	2	2	4	Cc1cc(C)cc(CCC(=O)N[C@H]2CCNC2=O)c1
365631052	ZINC000274346156	mid	3.31	-10.74	0	291.355	1.83	3	4	6	CCc1noc(CC)c1CNC(=O)NCc1cn[nH]c1C
342594516	ZINC000194361740	ref	3.64	-15.34	0	264.325	1.405	2	3	3	CCc1cc(C)c(C(=O)N[C@H]2C(=O)NCC[C@H]2C)o1
365631059	ZINC000274348098	ref	1.67	-11.76	0	272.308	1.536	2	6	6	OCC[C@@H](NCc1cnc2cnccn12)c1ccco1
342594517	ZINC000616961035	ref	2.62	-14.96	0	252.701	1.267	2	2	2	Cc1ccc(Cl)cc1C(=O)N[C@@H]1CCNC1=O
365639787	ZINC000576615470	high	-0.27	-5.03	0	237.303	-0.619	3	3	4	O=C(NCC1(C2CC2)CC1)C(=O)NC1CNC1
210257275	ZINC000265962884	ref	2.61	-22.87	0	364.431	0.79	2	6	4	Cn1cc(S(=O)(=O)N2CCC(NC(=O)Nc3ccccn3)CC2)cn1
214182424	ZINC000337617259	ref	5.23	-11.29	0	279.405	2.372	2	3	6	CCSc1ccc(CC(=O)NCC2(O)CCC2)cc1
342087557	ZINC000609030781	low	4.9	-54.37	1	261.325	1.916	2	3	7	CCOc1ccc(NC(=O)C[NH2+][C@@H](C)CC#N)cc1
210257283	ZINC000265968992	ref	1.12	-17.4	0	360.407	0.366	1	5	6	COC[C@@H]1CN(C(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CCO1
365630985	ZINC000122663070	high	5.27	-4.15	0	290.411	2.188	0	5	4	COc1cc(N2CCN(CC3CCCCC3)CC2)ncn1
210257287	ZINC000265968992	high	1.03	-52.44	-1	360.407	0.366	0	5	6	COC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)CCO1
214182431	ZINC000337616146	ref	2.66	-9.58	0	274.324	0.777	2	5	4	Cc1nn(C)c2nc(C(=O)NC[C@H](O)C3CC3)ccc12
210257292	ZINC000265968979	ref	2.41	-21.21	0	372.418	0.356	1	5	8	CS(=O)(=O)CCOCCNC(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O
210257298	ZINC000265964483	ref	2.95	-29.89	0	360.37	0.476	2	7	10	COCCNC(=O)Cn1cc(NC(=O)COc2cccc(C=O)c2)cn1
210257303	ZINC000265963145	ref	-1.08	-31.46	0	362.43	0.964	5	4	7	NC(=O)CCNC(=O)c1cccc(NC(=O)NC[C@H]2CCCC[C@@H]2O)c1
365630991	ZINC000122683660	ref	4.8	-9.43	0	253.367	2.286	1	2	6	C=C(C)CNS(=O)(=O)C[C@@H](C)c1ccccc1
342087558	ZINC000609030846	ref	6.24	-12.55	0	271.364	1.852	1	3	4	C[C@@H](CC#N)N[C@@H](C)C(=O)N1CCc2ccccc2C1
210257309	ZINC000265964514	ref	8.26	-54.86	1	372.469	0.876	2	3	7	CN1CC(=O)N(CCCC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1=O
342087559	ZINC000609030846	low	7.22	-48.11	1	271.364	1.852	1	2	4	C[C@@H](CC#N)[NH2+][C@@H](C)C(=O)N1CCc2ccccc2C1
210257311	ZINC000265964514	high	5.76	-15.89	0	372.469	0.876	1	4	7	CN1CC(=O)N(CCCC(=O)NCC2(N(C)C)Cc3ccccc3C2)C1=O
214182434	ZINC000337619857	ref	6.99	-7.9	0	280.437	3.415	2	2	5	CS[C@@H](C)CNC(=O)N[C@@H](C)c1ccc(C)cc1C
210257317	ZINC000265969164	ref	3.14	-24.85	0	355.464	0.886	2	6	6	CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC(Nc2cccnn2)CC1
210257323	ZINC000265966977	ref	5.11	-46.63	1	352.391	0.588	2	6	6	COc1cc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc([N+](=O)[O-])c1OC
210257328	ZINC000265966977	mid	4.67	-47.43	1	352.391	0.588	2	6	6	COc1cc(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)cc([N+](=O)[O-])c1OC
349534255	ZINC000093237398	ref	0.29	-11.59	0	254.334	0.41	3	4	6	CCc1nn(C)cc1CNC(=O)NC[C@H](C)CO
214182428	ZINC000053413411	ref	3.97	-23.61	0	326.381	2.349	2	5	5	NC(=O)Cn1cc(NC(=O)c2sccc2-c2ccccc2)cn1
214182433	ZINC000053433359	ref	4.96	-10.74	0	349.406	0.89	0	4	2	C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
214182437	ZINC000053433359	low	6.73	-54.62	1	349.406	0.89	1	3	2	C[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1
214182443	ZINC000053416475	ref	7.5	-16.67	0	347.444	1.339	1	6	5	C[C@H](NC(=O)CSc1nnc2ccccn12)C(=O)N1CCCCC1
342087560	ZINC000625368222	ref	0.21	-7.97	0	289.445	1.227	3	2	7	CCCNS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1
342087561	ZINC000625368222	mid	3.19	-43.77	1	289.445	1.227	3	2	7	CCCNS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1
342087562	ZINC000625368222	high	0.21	-7.97	0	289.445	1.227	2	3	7	CCCNS(=O)(=O)NC[C@@H]1CCN1C1CCCCC1
214182447	ZINC000053420553	ref	5.44	-36.9	1	336.476	2.099	2	4	9	CCOc1ccc(OC[C@@H](O)CN2CC[NH+](CC(C)C)CC2)cc1
214182452	ZINC000053420553	high	3.48	-6.33	0	336.476	2.099	1	5	9	CCOc1ccc(OC[C@@H](O)CN2CCN(CC(C)C)CC2)cc1
342087563	ZINC000625366364	ref	3.68	-10.08	0	259.371	1.297	1	3	7	CO[C@@H](CS(=O)(=O)NCC1CC=CC1)C1CC1
214182456	ZINC000053435918	ref	9.02	-43.68	1	332.444	2.463	1	3	5	COc1cc2c(cc1OC)CN(C(=O)C[N@H+](C)C1CCCC1)CC2
214182459	ZINC000053435918	mid	9.02	-44.11	1	332.444	2.463	1	3	5	COc1cc2c(cc1OC)CN(C(=O)C[N@@H+](C)C1CCCC1)CC2
214182460	ZINC000053435918	high	6.82	-11.46	0	332.444	2.463	0	4	5	COc1cc2c(cc1OC)CN(C(=O)CN(C)C1CCCC1)CC2
214182466	ZINC000053434161	ref	3.5	-20.59	0	336.294	2.404	2	4	7	NC(=O)COc1ccc(C(=O)Nc2cccc(OC(F)F)c2)cc1
214182471	ZINC000053419912	ref	6.2	-35.17	1	337.46	3.017	2	4	7	COc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)COC(C)(C)C)c(OC)c1
214182476	ZINC000053419912	mid	5.15	-32.2	1	337.46	3.017	2	4	7	COc1ccc([C@H]2CCC[N@H+]2C[C@H](O)COC(C)(C)C)c(OC)c1
214182479	ZINC000053419912	high	4.17	-7.65	0	337.46	3.017	1	5	7	COc1ccc([C@H]2CCCN2C[C@H](O)COC(C)(C)C)c(OC)c1
214182482	ZINC000053423515	ref	9.28	-15.76	0	348.476	2.534	1	7	6	C=CCn1c(C)nnc1SCC(=O)Nc1cc(C(C)(C)C)nn1C
214182488	ZINC000053434373	ref	5.04	-10.99	0	334.376	0.764	1	5	4	CC(C)NC(=O)C(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1
342087564	ZINC000609030835	ref	3.71	-14.88	0	261.325	1.834	2	4	6	COc1ccc(C)cc1NC(=O)CN[C@@H](C)CC#N
210257331	ZINC000265966977	mid	2.73	-8.23	0	352.391	0.588	1	7	6	COc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)cc([N+](=O)[O-])c1OC
290622271	ZINC000492521760	ref	6.37	-20.4	0	295.342	2.299	2	2	3	O=C(C=Cc1cccc2ccccc12)NN1CCCNC1=O
210257335	ZINC000265969652	ref	5.38	-21.21	0	365.386	0.535	1	7	5	CCO[C@H]1C[C@@H](O)C12CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2
210257256	ZINC000428376821	ref	3.3	-20.1	0	336.417	0.832	0	5	4	CN(C)C(=O)CC1CCN(S(=O)(=O)c2cccnc2C#N)CC1
210257262	ZINC000428385356	ref	-1.14	-15.31	0	327.387	0.865	2	7	5	Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1csnn1
210257269	ZINC000428379234	ref	0.24	-17.29	0	342.45	0.385	1	7	4	Cc1nnc(CN2CCN(S(=O)(=O)c3csc(C)n3)CC2)[nH]1
210257273	ZINC000428379234	mid	-0.05	-15.02	0	342.45	0.385	1	7	4	Cc1nc(CN2CCN(S(=O)(=O)c3csc(C)n3)CC2)n[nH]1
365630989	ZINC000336548627	ref	6.12	-6.5	0	288.391	2.497	1	3	3	Cc1cccc(C)c1NCC(=O)N1CCOCC12CCC2
349534256	ZINC000618810995	ref	5.97	-11.72	0	293.343	1.048	1	5	7	CSCCNC(=O)N(C)Cc1ncnn1CC(F)F
210257278	ZINC000428374924	ref	-1.29	-18.56	0	343.373	0.384	2	5	7	CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@H](CO)CC(F)F
214182438	ZINC000337618825	ref	0.36	-14.99	0	283.332	-0.284	4	6	5	Cc1cc(N(C)C)nc(NC(=O)NC[C@](C)(O)CO)n1
214182442	ZINC000337615708	ref	4.58	-10.1	0	265.357	2.448	2	2	5	CCCC[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1
210257284	ZINC000428374924	high	0.18	-43.14	-1	343.373	0.384	1	5	7	CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)CC(F)F
214182445	ZINC000337615708	high	4.46	-40.07	-1	265.357	2.448	1	2	5	CCCC[C@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1
210257290	ZINC000428395072	ref	1.54	-21.25	0	341.307	0.907	2	5	7	COC(=O)c1c(F)cccc1S(=O)(=O)N[C@@H](CO)CC(F)F
349534260	ZINC000618812331	ref	8.33	-11.64	0	298.39	1.969	0	4	4	CN(Cc1cn(C)nn1)C(=O)C[C@@H]1CCc2ccccc2C1
210257295	ZINC000428395072	high	0.98	-46.36	-1	341.307	0.907	1	5	7	COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H](CO)CC(F)F
197590944	ZINC000290089764	low	8.02	-34.48	1	274.343	2.537	1	3	3	C[C@H]1C[C@@H](c2ccccc2F)[N@H+](Cc2cnn(C)n2)C1
210257300	ZINC000428374922	ref	-1.36	-17.39	0	343.373	0.384	2	5	7	CS(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](CO)CC(F)F
343993598	ZINC000599268730	high	6.76	-12.55	0	270.373	1.274	0	4	6	CCC(=O)N1CCCN(CCCCC(=O)OC)CC1
210257301	ZINC000428374922	high	-1.04	-45.21	-1	343.373	0.384	1	5	7	CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)CC(F)F
365630996	ZINC000336549100	ref	5.07	-7.71	0	253.371	2.363	0	4	3	CCc1nnsc1C(=O)N1CC[C@@](C)(CC)C1
230723569	ZINC000414273963	ref	6.3	-11.28	0	303.214	3.343	0	3	3	Cc1nn(C)cc1C[S@](=O)c1ccc(Cl)cc1Cl
365631002	ZINC000336549006	ref	3.05	-12.13	0	277.349	2.408	2	5	3	CSc1cc(O)ccc1NC(=O)c1cc(C)n(C)n1
365631006	ZINC000336548292	ref	2.52	-10.21	0	293.841	2.409	0	4	2	C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1ccsc1Cl
365631012	ZINC000336549105	ref	4.89	-9.78	0	250.346	2.117	2	3	3	Cc1nnc([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)[nH]1
365631020	ZINC000336549105	mid	4.89	-9.78	0	250.346	2.117	2	3	3	Cc1nc([C@H](C)NC(=O)[C@@H]2CCCC2(C)C)n[nH]1
365631025	ZINC000336548652	ref	8.45	-46.78	1	298.39	2.426	2	2	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1
365631035	ZINC000336548652	mid	8.44	-47.45	1	298.39	2.426	2	2	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1
342087565	ZINC000609030835	low	4.77	-50.81	1	261.325	1.834	2	3	6	COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C)CC#N
365631041	ZINC000336548652	high	5.8	-9.76	0	298.39	2.426	1	3	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@@]2(CCN(C)C2)C1
365631046	ZINC000336548319	ref	4.7	-8.33	0	268.401	2.223	2	2	2	C[C@H]1C[C@@H](O)CCN1C(=O)NCC1C(C)(C)C1(C)C
342087566	ZINC000609030377	ref	7.59	-96.02	2	273.38	1.911	1	4	6	C[C@@H](CC#N)NCc1ccc(CN2CCOCC2)cc1
365631053	ZINC000336548281	ref	5.88	-14.69	0	288.376	2.151	2	4	3	Cc1ccc(-c2nc(S[C@H]3CCCNC3=O)n[nH]2)cc1
365631058	ZINC000336548281	mid	6.24	-13.6	0	288.376	2.151	2	4	3	Cc1ccc(-c2n[nH]c(S[C@H]3CCCNC3=O)n2)cc1
365631064	ZINC000336548791	ref	6.21	-20.87	0	287.319	2.292	1	4	1	Cn1c(=O)oc2cc(NC(=O)N3CCC34CCC4)ccc21
365631074	ZINC000336548285	ref	6.09	-10.26	0	298.308	2.474	0	2	2	Cc1ccc2c(c1)CN([C@@H]1CCN(CC(F)(F)F)C1=O)C2
365631079	ZINC000336548285	low	8.62	-46.03	1	298.308	2.474	1	1	2	Cc1ccc2c(c1)C[N@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2
342087567	ZINC000609030377	mid	5.15	-49.01	1	273.38	1.911	1	3	6	C[C@@H](CC#N)[NH2+]Cc1ccc(CN2CCOCC2)cc1
230723597	ZINC000414271421	ref	8.25	-47.27	1	305.466	3.302	1	3	5	C[C@@H]1CCCC[C@H]1[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
365631082	ZINC000336548285	low	8.63	-44.67	1	298.308	2.474	1	1	2	Cc1ccc2c(c1)C[N@@H+]([C@@H]1CCN(CC(F)(F)F)C1=O)C2
365631090	ZINC000336548865	ref	7.06	-10.46	0	273.239	2.04	1	3	2	C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)CC1(F)F
342087568	ZINC000609030377	low	7.59	-96.02	2	273.38	1.911	2	2	6	C[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1
197590946	ZINC000290089764	low	7.42	-31.02	1	274.343	2.537	1	3	3	C[C@H]1C[C@@H](c2ccccc2F)[N@@H+](Cc2cnn(C)n2)C1
210257307	ZINC000428392170	ref	-1.96	-16.04	0	336.373	0.386	3	7	5	Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)c1nccnc1N
342594518	ZINC000616961129	ref	3.67	-19.21	0	278.739	1.374	2	2	2	O=C1NCC[C@H]1NC(=O)[C@@H]1CCc2c(Cl)cccc21
349534257	ZINC000594968343	ref	6.01	-47.26	1	257.443	2.844	1	1	3	C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)C1
365631004	ZINC000625059239	high	6.14	-8.09	0	317.477	2.357	1	3	5	CC(C)(C)CNC(=O)CN1CCCN(Cc2ccccc2)CC1
365631010	ZINC000625061710	ref	6.35	-35.89	1	309.406	2.331	1	4	8	COc1ccc(C[N@H+](C)CCOC2CCOCC2)c(OC)c1
210257314	ZINC000428398362	ref	0.45	-26.16	0	340.405	0.476	3	5	7	CS(=O)(=O)CCCNC(=O)NCCn1c(=O)[nH]c2ccccc21
365631016	ZINC000625061710	mid	6.04	-36.29	1	309.406	2.331	1	4	8	COc1ccc(C[N@@H+](C)CCOC2CCOCC2)c(OC)c1
365631024	ZINC000625061710	mid	3.7	-7.04	0	309.406	2.331	0	5	8	COc1ccc(CN(C)CCOC2CCOCC2)c(OC)c1
282952133	ZINC000127638741	ref	4.75	-50.6	1	304.5	2.51	2	2	9	CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1
187168648	ZINC000125078571	ref	6.16	-46.51	1	289.379	2.315	3	2	5	CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1
210257327	ZINC000428380774	ref	2.89	-13.44	0	338.389	0.268	1	7	7	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1ccnn1C
197590953	ZINC000290090538	ref	6.21	-6.56	0	269.348	2.846	1	4	4	Cn1ncc(NCC2=CCCOC2)c1-c1ccccc1
210257333	ZINC000428375510	ref	1.76	-23.08	0	339.392	0.432	1	5	5	CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cccc(F)c1C#N
210257339	ZINC000428390350	ref	4.48	-14.93	0	345.388	0.03	0	8	3	O=S(=O)(c1ccccn1)N1CCN(c2cncc3ncnn23)CC1
210257346	ZINC000428380996	ref	-0.36	-16.16	0	332.381	0.937	3	4	4	NC(=O)c1ccc(S(=O)(=O)N[C@@H]2Cc3cccc(O)c3C2)cc1
210257355	ZINC000428373179	ref	-0.1	-17.31	0	341.389	0.052	1	7	7	COCCO[C@@H]1COCC[C@@H]1NS(=O)(=O)c1cccnc1C#N
210257359	ZINC000428373179	high	-0.38	-51.45	-1	341.389	0.052	0	7	7	COCCO[C@@H]1COCC[C@@H]1[N-]S(=O)(=O)c1cccnc1C#N
210257250	ZINC000000653267	ref	8.73	-12.4	0	355.481	3.412	1	6	6	CCOC(=O)c1c(NC(=O)CCSC(C)=O)sc2c1CCCC2
342594519	ZINC000616960958	ref	3.25	-15.61	0	252.358	1.598	2	2	3	CC1(C)CCC[C@@H](CC(=O)N[C@H]2CCNC2=O)C1
342594520	ZINC000194361767	ref	3.42	-14.98	0	264.325	1.405	2	3	3	CCc1cc(C)c(C(=O)N[C@H]2C(=O)NCC[C@@H]2C)o1
342087569	ZINC000625367909	ref	2.09	-16.79	0	299.33	1.453	1	4	4	O=C(NCc1cocn1)[C@H]1CCN(C(=O)c2ccccc2)C1
342087570	ZINC000622702165	ref	3.4	-15.75	0	289.379	1.633	2	3	5	CCc1nc(C(C)C)ccc1C(=O)NC[C@@H]1CNC(=O)C1
398248071	ZINC000649442518	ref	4.15	-8.5	0	216.284	2.196	1	3	2	Cc1cc(CO)ccc1-c1cn(C)nc1C
219047784	ZINC000097681739	mid	7.56	-50.83	1	343.456	1.659	1	5	5	CSCC[NH+]1CCN(C(=O)c2cnc(-c3cccnc3)nc2)CC1
342087571	ZINC000609030845	ref	6.43	-14.47	0	271.364	1.852	1	3	4	C[C@@H](CC#N)N[C@H](C)C(=O)N1CCc2ccccc2C1
342087572	ZINC000609030845	low	7.35	-51.98	1	271.364	1.852	1	2	4	C[C@@H](CC#N)[NH2+][C@H](C)C(=O)N1CCc2ccccc2C1
398248073	ZINC000649442429	ref	4.56	-9.02	0	216.284	2.196	1	3	2	Cc1ccc(-c2cn(C)nc2C)cc1CO
342087573	ZINC000625366674	ref	5.13	-18.22	0	274.324	1.228	0	5	3	CN(C[C@H]1CCCOC1)C(=O)c1ccnc2ccnn12
342087574	ZINC000625367958	ref	3.76	-10.15	0	254.289	1.877	1	3	3	O=C(NCc1cocn1)[C@@H]1[C@H]2Cc3ccccc3[C@H]21
342087575	ZINC000621361792	ref	1.94	-44.99	1	268.357	1.092	3	4	9	CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1cncc(OCC)c1
398248075	ZINC000649442477	ref	7.6	-5.9	0	200.285	2.958	0	2	2	CCc1ccccc1-c1cn(C)nc1C
342087576	ZINC000621361792	high	0.95	-5.75	0	268.357	1.092	3	5	9	CCC[C@@H](O)[C@@H](CO)NCc1cncc(OCC)c1
398248077	ZINC000649442317	ref	4.02	-12.11	0	247.298	1.816	0	5	5	COCCOc1cccc(-c2cn(C)nc2C)n1
398248079	ZINC000649442389	ref	7.35	-6.28	0	200.285	3.012	0	2	1	Cc1cccc(-c2cn(C)nc2C)c1C
219047789	ZINC000097680835	ref	8.36	-12.79	0	326.322	2.909	0	4	4	Cc1cc(C)n(-c2ccc(C(=O)N(C)CCC(F)(F)F)cn2)n1
219047793	ZINC000097682482	ref	4.92	-19.71	0	332.404	1.092	2	4	4	CC(=O)N[C@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1
342087577	ZINC000625366476	ref	8.94	-42.83	1	280.412	1.888	1	2	5	CCO[C@H](C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CC1
342087578	ZINC000625366476	high	6.79	-9.93	0	280.412	1.888	0	3	5	CCO[C@H](C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1
342087579	ZINC000048400642	ref	6.87	-39.77	1	282.384	1.463	2	3	5	COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CCCC1
342087580	ZINC000048400642	mid	7.19	-39.72	1	282.384	1.463	2	3	5	COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CCCC1
342087581	ZINC000048400642	mid	5.15	-9.61	0	282.384	1.463	1	4	5	COC(=O)C[C@@H]1CCCCN1CC(=O)NC1CCCC1
398248081	ZINC000649442529	ref	5.64	-10.53	0	241.294	2.199	1	3	1	Cc1cc(-c2cn(C)nc2C)cc2c1NC(=O)C2
187168649	ZINC000125078571	mid	6.25	-46.98	1	289.379	2.315	3	2	5	CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(NC(C)=O)cc2)C1
197590954	ZINC000162784798	ref	2.6	-19.8	0	319.452	1.669	1	5	6	CC[C@H](NC(=O)N(C)[C@H](C)CS(C)(=O)=O)c1nccs1
214182441	ZINC000293540264	ref	6.68	-10.2	0	356.382	0.893	2	6	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1
214182449	ZINC000293551035	ref	1.79	-56.46	1	368.415	0.375	2	5	3	Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]
343993601	ZINC000599270916	ref	4.83	-13.98	0	278.356	1.588	1	5	8	COCCCn1cc(C(=O)N[C@@H](C#N)CC(C)C)cn1
365631005	ZINC000122683717	ref	7.4	-47.72	1	285.395	2.051	1	4	3	N#Cc1cnc(N2CC[NH+](CC3CCCCC3)CC2)cn1
214182455	ZINC000293552099	ref	1.28	-14.98	0	367.471	0.986	1	5	5	C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C
185087397	ZINC000096070665	ref	5.33	-7.63	0	251.351	2.388	0	3	1	C[C@@H]1C[C@@H]2CCN(C(=O)c3cccs3)C[C@H]2O1
214182462	ZINC000293552099	low	3.94	-45.57	1	367.471	0.986	2	4	5	C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C
214182465	ZINC000293552099	low	4.16	-46.71	1	367.471	0.986	2	4	5	C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C
214182470	ZINC000293544503	ref	3.01	-56.37	1	362.455	0.324	2	4	2	C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1
214182475	ZINC000293555254	ref	1.89	-19.22	0	354.354	0.728	1	5	4	CCC(=O)N1CC[C@@H](NS(=O)(=O)c2cn(C)nc2C(F)(F)F)C1
214182481	ZINC000293555254	mid	1.63	-46.22	-1	354.354	0.728	0	5	4	CCC(=O)N1CC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1
214182487	ZINC000293553706	ref	7.69	-22.63	0	368.401	0.907	1	9	6	Cc1ccc(NC(=O)CCn2ncn(C)c2=O)cc1-c1nnnn1C1CC1
214182494	ZINC000293542145	ref	7.43	-41.39	1	371.441	0.995	2	5	5	N#Cc1ccc(NC(=O)C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)nc1
214182500	ZINC000293553628	ref	8.02	-19.2	0	350.35	0.45	1	7	6	COC(=O)[C@@H](NC(=O)CCn1ncn(C)c1=O)c1ccc(F)c(C)c1
342087582	ZINC000621361480	ref	3.06	-10.95	0	282.428	1.632	3	2	4	C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1CO
342087583	ZINC000621361480	mid	5.21	-35.97	1	282.428	1.632	3	2	4	C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1CO
342087584	ZINC000621361480	mid	3.06	-10.95	0	282.428	1.632	2	3	4	C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1CO
187168650	ZINC000125078571	mid	3.86	-17.08	0	289.379	2.315	2	3	5	CC[C@@H]1CCN(CC(=O)Nc2ccc(NC(C)=O)cc2)C1
210257257	ZINC000000647351	ref	14.45	-11.08	0	372.493	5.029	0	4	5	Cc1ccc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)cc1
210257265	ZINC000000659352	ref	10.33	-12.44	0	354.381	4.031	1	4	5	CCN(CC)c1ccc2cc(C(=O)Nc3cccc(F)c3)c(=O)oc2c1
349534259	ZINC000093260120	ref	4.47	-7.23	0	282.344	0.726	1	5	7	CCCn1nccc1NC(=O)C(=O)N(C)CCOCC
210257274	ZINC000000657382	ref	12.56	-17.68	0	374.44	4.855	1	3	7	Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1[N+](=O)[O-]
210257282	ZINC000009244180	ref	4.97	-10.14	0	358.737	3.114	2	5	4	O=C1N[C@@H](c2ccccc2[N+](=O)[O-])C(C(=O)c2ccc(Cl)cc2)=C1O
197590955	ZINC000290089486	ref	7.31	-15.02	0	290.294	2.466	0	5	4	COC(=O)[C@H]1CC[C@H]1c1nc(Cc2ccccc2F)no1
187168651	ZINC000125071838	ref	4.86	-11.71	0	296.417	3.161	1	5	6	CC[C@H](SC)C(=O)NCc1csc(-c2ccco2)n1
230236041	ZINC000336807968	ref	0.71	-9.15	0	270.337	-1.084	3	8	8	CC(C)N(CCOCCO)Cc1nc(N)nc(N)n1
349534263	ZINC000093232056	ref	3.5	-50.47	1	266.297	0.777	2	4	7	CCOC(=O)c1ccc(NC(=O)COCC[NH3+])cc1
342594521	ZINC000616960723	ref	2.76	-17.37	0	250.273	1.061	2	2	2	Cc1cc(C(=O)N[C@@H]2CCNC2=O)cc(C)c1F
214182448	ZINC000278480863	mid	7.33	-47.9	1	317.385	2.284	1	4	4	O=C(CC[N@H+]1CCO[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2
349535944	ZINC000093299557	ref	0.96	-6.9	0	277.324	0.558	2	4	1	Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)cn1
342594522	ZINC000616961034	ref	2.62	-14.93	0	252.701	1.267	2	2	2	Cc1ccc(Cl)cc1C(=O)N[C@H]1CCNC1=O
349535949	ZINC000093301404	ref	2.39	-6.86	0	280.299	0.993	2	3	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1O
349535954	ZINC000093300304	ref	2.17	-6.22	0	262.309	0.854	2	3	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1O
342594523	ZINC000616960868	ref	3.28	-17.26	0	290.363	1.584	2	3	6	CC[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(OC)cc1
349535959	ZINC000093299654	ref	2.43	-7.46	0	280.299	0.993	2	3	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1O
185087399	ZINC000096070970	ref	8.33	-42.13	0	292.31	1.339	1	3	3	O=C([O-])C[NH+]1CCC2(CC1)CN(c1cccc(F)c1)C2=O
214182451	ZINC000278482579	ref	3.52	-15.11	0	317.389	1.742	3	3	3	CNC(=O)c1ccc(C)c(NC(=O)C(=O)NC2(C)CCCC2)c1
349535963	ZINC000093299327	ref	1.25	-7.94	0	277.324	0.558	2	4	1	Cc1ccncc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](O)C1
303960143	ZINC000275674630	ref	4.12	-15.98	0	272.304	2.325	1	4	3	O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)c1ccoc1
214182453	ZINC000337618701	ref	3.73	-14.27	0	297.314	3.182	1	5	4	CCOc1ccc(C(=O)Nc2cnc3onc(C)c3c2)cc1
210257296	ZINC000000653011	ref	6.27	-21.27	0	366.87	2.731	1	3	6	Cc1cc(Cl)ccc1N(CC(=O)NCc1ccccc1)S(C)(=O)=O
210257304	ZINC000000659282	ref	11.77	-7.99	0	373.521	6.519	1	3	1	Cc1ccsc1[C@H]1Nc2ccc3ccccc3c2C2=C1C(=O)CC(C)(C)C2
210257310	ZINC000000659145	ref	10.83	-12.18	0	372.251	5.825	1	2	5	O=C(Nc1cccc(Cl)c1)c1ccc(COc2ccc(Cl)cc2)cc1
210257318	ZINC000000646792	ref	7.06	-12.51	0	373.455	3.792	0	5	5	COc1ccc(N(C(=O)c2ccccc2)S(=O)(=O)c2cccs2)cc1
210257324	ZINC000000652229	ref	6.98	-11.85	0	352.843	4.11	2	5	4	Cc1c(C(=O)Nc2ccc(Cl)cc2)sc(N)c1C(=O)OC(C)C
210257334	ZINC000000646771	ref	7.21	-14.43	0	357.387	3.324	0	5	5	COc1ccc(N(C(=O)c2ccco2)S(=O)(=O)c2ccccc2)cc1
365631009	ZINC000354698412	mid	8.36	-80.69	2	290.411	1.702	1	3	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCc3nccn32)CC[N@H+]1C
342087585	ZINC000625368050	ref	1.82	-10.57	0	276.267	1.681	1	4	3	O=C(NCc1cocn1)[C@H]1COc2cc(F)ccc2C1
210257341	ZINC000000655896	ref	8.42	-11.53	0	366.318	4.419	1	4	5	CCc1ccc(NC(=O)c2cc3nc(C(F)F)cc(C(F)F)n3n2)cc1
290622273	ZINC000492519951	ref	4.02	-9.24	0	261.321	2.041	1	3	2	C[C@@H]1COC[C@@H](C)N1C(=O)/C=C\c1cccc(O)c1
365631018	ZINC000354698412	mid	8.56	-80.91	2	290.411	1.702	1	2	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C
365631023	ZINC000354698412	mid	5.83	-10.69	0	290.411	1.702	1	2	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1C
365631031	ZINC000354698412	high	5.83	-10.69	0	290.411	1.702	0	4	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CCCc3nccn32)CCN1C
214182461	ZINC000337618077	ref	7.1	-9.0	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@H](C)c1nnc([C@H](C)CC)[nH]1
214182464	ZINC000337618077	mid	6.58	-8.72	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@H](C)c1n[nH]c([C@H](C)CC)n1
230723587	ZINC000425410144	ref	6.47	-17.64	0	302.353	2.208	2	3	5	C[C@H](Cn1cccn1)NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1
342087586	ZINC000609030780	ref	3.7	-14.38	0	261.325	1.916	2	4	7	CCOc1ccc(NC(=O)CN[C@H](C)CC#N)cc1
342087587	ZINC000609030780	low	4.89	-54.3	1	261.325	1.916	2	3	7	CCOc1ccc(NC(=O)C[NH2+][C@H](C)CC#N)cc1
342087588	ZINC000625367928	ref	2.94	-6.03	0	251.33	1.971	0	5	8	C=CCN(CCOC)Cc1noc(C2CCC2)n1
342087589	ZINC000625368039	ref	3.01	-38.68	1	253.317	1.977	2	2	5	CC[C@@]1([NH2+]Cc2cc(CO)ccc2F)CCOC1
342087590	ZINC000625368039	high	1.92	-5.12	0	253.317	1.977	2	3	5	CC[C@@]1(NCc2cc(CO)ccc2F)CCOC1
342087591	ZINC000625368221	ref	0.0	-9.55	0	289.445	1.227	3	2	7	CCCNS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1
342087592	ZINC000625368221	mid	2.88	-43.98	1	289.445	1.227	3	2	7	CCCNS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1
365631015	ZINC000122683717	high	5.43	-5.54	0	285.395	2.051	0	5	3	N#Cc1cnc(N2CCN(CC3CCCCC3)CC2)cn1
365631022	ZINC000122663536	ref	6.5	-10.12	0	286.36	2.403	0	6	4	Cc1csc([C@H](C#N)C(=O)c2ccnc(N(C)C)c2)n1
365631034	ZINC000122663536	mid	5.55	-35.9	-1	286.36	2.403	0	6	3	Cc1csc(C(C#N)=C([O-])c2ccnc(N(C)C)c2)n1
230723598	ZINC000425411561	ref	4.58	-17.68	0	301.371	2.293	2	4	4	Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2ncc(C(N)=O)s2)cc1
365631042	ZINC000122663536	mid	6.48	-9.9	0	286.36	2.403	0	6	4	Cc1csc(C(C#N)C(=O)c2ccnc(N(C)C)c2)n1
365631048	ZINC000122662496	ref	8.19	-30.18	1	288.391	2.304	1	2	6	C=CCOc1ccccc1C[N@H+]1CCC[C@H]1C(=O)N(C)C
365631057	ZINC000122662496	mid	8.48	-34.3	1	288.391	2.304	1	2	6	C=CCOc1ccccc1C[N@@H+]1CCC[C@H]1C(=O)N(C)C
136229067	ZINC000292815556	ref	5.92	-33.22	1	249.354	2.978	2	2	8	C=CCOCC[N@@H+](CC)[C@H](C)c1cccc(O)c1
365631063	ZINC000122662496	mid	6.12	-12.13	0	288.391	2.304	0	3	6	C=CCOc1ccccc1CN1CCC[C@H]1C(=O)N(C)C
365631070	ZINC000122759238	ref	7.89	-7.17	0	254.337	2.471	1	4	3	CCNc1nccc(N2CCc3ccccc3C2)n1
365631081	ZINC000122759238	mid	8.28	-34.39	1	254.337	2.471	1	3	3	CCNc1nc(N2CCc3ccccc3C2)cc[nH+]1
365631089	ZINC000122662756	ref	8.55	-34.2	1	288.391	2.304	1	2	6	C=CCOc1ccccc1C[N@H+]1CCC[C@@H]1C(=O)N(C)C
342087593	ZINC000625368221	high	0.0	-9.55	0	289.445	1.227	2	3	7	CCCNS(=O)(=O)NC[C@H]1CCN1C1CCCCC1
136229068	ZINC000292815556	mid	6.39	-33.68	1	249.354	2.978	2	2	8	C=CCOCC[N@H+](CC)[C@H](C)c1cccc(O)c1
365631094	ZINC000122662756	mid	8.34	-32.21	1	288.391	2.304	1	2	6	C=CCOc1ccccc1C[N@@H+]1CCC[C@@H]1C(=O)N(C)C
342087594	ZINC000621361861	ref	3.35	-7.31	0	282.428	1.728	2	2	4	C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1CO
178305753	ZINC000022049527	ref	5.73	-9.09	0	238.254	3.372	0	4	1	Cc1cc2ncccc2c2nc(N=[N+]=[N-])n(C)c12
342087595	ZINC000621361861	mid	6.13	-35.24	1	282.428	1.728	2	2	4	C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1CO
190493157	ZINC000269426260	ref	8.39	-12.93	0	287.363	2.853	1	4	5	Cc1ccc(-n2cc(C)cn2)c(NC(=O)COC(C)C)c1
282121793	ZINC000449151950	ref	4.66	-10.33	0	297.358	2.347	2	4	3	C[C@H](NC(=O)c1ccc(N)cn1)[C@H]1Oc2ccccc2[C@H]1C
342594524	ZINC000616962773	ref	2.62	-18.91	0	276.336	1.193	2	3	5	COc1cccc([C@H](C)CC(=O)N[C@@H]2CCNC2=O)c1
342594525	ZINC000616961309	ref	2.71	-18.76	0	297.152	1.376	2	2	2	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c(Br)c1
187168652	ZINC000125067096	ref	6.22	-11.0	0	290.417	3.419	1	6	4	Cc1nc(NCCc2cscn2)c2c(C)csc2n1
342600477	ZINC000590852282	ref	2.13	-14.54	0	298.306	1.865	2	6	4	Cc1noc(-c2ccc(NC(=O)NCC3(C#N)CC3)cn2)n1
342600478	ZINC000616999524	ref	3.55	-39.29	1	294.399	1.279	2	4	4	COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nn1C
342600479	ZINC000616999524	mid	3.57	-39.8	1	294.399	1.279	2	4	4	COc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nn1C
365631021	ZINC000623062102	ref	1.51	-56.78	1	311.407	1.293	2	3	3	C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
342600480	ZINC000617000106	ref	5.23	-41.65	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cnn1
342600481	ZINC000617000106	mid	5.24	-42.15	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cnn1
349534262	ZINC000594967667	ref	7.64	-48.59	1	258.365	2.81	1	2	4	CC(C)([NH2+]C[C@H]1CCCOC1)c1cccc(C#N)c1
365631039	ZINC000623061388	ref	6.46	-47.43	1	304.394	1.076	1	4	6	CCn1cc(C(=O)C(=O)N2CCC([NH2+]CC3CC3)CC2)cn1
199272982	ZINC000181265829	low	8.52	-31.83	1	316.449	2.82	2	4	4	OC[C@H]1CCCN(c2cc(N[C@@H]3CC34CCCCC4)[nH+]cn2)C1
365631051	ZINC000623063333	ref	3.15	-46.26	1	311.794	1.749	1	4	2	[NH3+]C[C@H]1CN(C(=O)c2nc3cc(Cl)ccc3s2)CCO1
199272984	ZINC000181265829	low	8.41	-31.26	1	316.449	2.82	2	4	4	OC[C@H]1CCCN(c2cc(N[C@@H]3CC34CCCCC4)nc[nH+]2)C1
365631065	ZINC000623062292	ref	5.0	-36.51	1	316.224	1.872	1	3	1	O=C(c1ncc(Br)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2
365631076	ZINC000623063546	ref	2.49	-60.96	1	301.35	1.938	2	4	3	C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
230723613	ZINC000414273025	ref	7.34	-15.62	0	314.834	3.345	0	3	4	O=[S@@](CCc1cc(Cl)c2c(c1)OCCCO2)C1CCC1
178305754	ZINC000019510501	ref	5.64	-46.95	1	216.288	1.979	2	2	3	Cc1cc2ncn(CCC(N)=[NH2+])c2cc1C
230723615	ZINC000414271020	ref	8.85	-18.45	0	309.475	3.002	0	2	6	CCc1ccc(CN(C)C(=O)C[S@@](=O)CC(C)(C)C)cc1
342087596	ZINC000621361861	mid	3.35	-7.31	0	282.428	1.728	1	3	4	C[C@@H]1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1CO
365631030	ZINC000625061163	ref	4.27	-10.97	0	308.422	2.298	1	4	7	COc1ccc(CN(C)CC(=O)NCC(C)(C)C)c(OC)c1
342087597	ZINC000625367871	ref	2.92	-5.96	0	253.317	1.952	1	3	8	C=CCN(CCOC)Cc1cc(CO)ccc1F
342087598	ZINC000625367871	mid	4.7	-32.01	1	253.317	1.952	2	2	8	C=CC[N@@H+](CCOC)Cc1cc(CO)ccc1F
185087401	ZINC000096071261	ref	4.38	-20.31	0	273.336	0.895	1	3	2	O=C1CC[C@@]2(CCCN(C(=O)Cc3ccccn3)C2)N1
214182454	ZINC000278482042	ref	2.47	-17.19	0	302.421	1.243	1	5	6	CC[C@H](SC)C(=O)NCc1ncccc1S(C)(=O)=O
210257350	ZINC000000657512	ref	9.54	-15.26	0	363.438	4.887	1	4	5	O=C(Nc1ccc2c(c1)OCO2)[C@@H](Sc1ccccc1)c1ccccc1
210257357	ZINC000000659356	ref	11.6	-18.26	0	360.416	5.509	1	3	1	O=C1C2=C(c3ccccc31)[C@H](c1ccccn1)Nc1ccc3ccccc3c12
210257360	ZINC000000651953	ref	7.15	-10.18	0	356.381	4.556	1	4	4	NC(=O)c1cc2ccccc2o/c1=N\c1ccc(Oc2ccccc2)cc1
210257368	ZINC000000657355	ref	10.57	-14.97	0	367.792	5.244	2	4	5	O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc(Cl)cc1[N+](=O)[O-]
210257373	ZINC000000656535	ref	4.78	-12.56	0	367.203	1.374	0	5	2	Cn1ncc(Br)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
342087599	ZINC000625367871	mid	4.5	-31.62	1	253.317	1.952	2	2	8	C=CC[N@H+](CCOC)Cc1cc(CO)ccc1F
342087600	ZINC000625366524	ref	7.78	-34.04	1	280.412	1.888	1	2	3	COC1CC(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1
210257379	ZINC000000655958	ref	6.38	-10.43	0	371.212	3.467	1	4	4	Cc1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1[N+](=O)[O-]
185087403	ZINC000096071394	ref	8.49	-40.32	1	283.375	2.259	1	2	1	C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1cccc(C#N)c1)C2
210257253	ZINC000004718283	high	11.89	-14.92	0	343.386	5.657	1	4	3	Cc1ccc2nc3ccccc3c(Nc3cc([N+](=O)[O-])ccc3C)c2c1
185087405	ZINC000096071394	mid	8.75	-40.68	1	283.375	2.259	1	2	1	C[N@H+]1CCC[C@@]12CCCN(C(=O)c1cccc(C#N)c1)C2
349536127	ZINC000258993183	high	6.77	-49.88	-1	237.274	2.122	0	3	5	CN(Cc1ccccc1F)CC1(C(=O)[O-])CC1
210256155	ZINC000428341302	ref	2.0	-25.38	0	329.466	0.973	2	3	4	CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N2CCC(C(N)=O)CC2)C1
342087601	ZINC000625366392	ref	6.22	-10.88	0	257.374	1.932	0	3	6	CCO[C@H](C(=O)N(C)C[C@H]1CCCOC1)C(C)C
342087602	ZINC000609030668	ref	4.66	-12.75	0	252.339	1.423	0	4	4	CS[C@@H](C)C(=O)N1CC(Oc2ccncc2)C1
282121794	ZINC000248964908	ref	6.06	-48.0	1	321.377	1.935	3	4	6	Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1CO
214182463	ZINC000278480238	ref	7.68	-15.71	0	318.417	3.109	2	3	8	CCCOc1cccc(NC(=O)[C@@H](CC2CCC2)NC(C)=O)c1
214182467	ZINC000278482061	ref	6.35	-102.83	2	302.871	2.726	3	2	5	CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)cs2)CC1
214182469	ZINC000278482061	high	4.96	-32.25	1	302.871	2.726	3	3	5	CC(C)[NH+]1CCC(O)(CNCc2cc(Cl)cs2)CC1
214182472	ZINC000278481239	ref	6.73	-14.17	0	306.332	2.548	2	3	6	CC[C@H](C)[C@@H](NC(=O)N[C@H](C)Cn1ccnc1)C(F)(F)F
365631036	ZINC000625061163	low	6.72	-40.46	1	308.422	2.298	2	3	7	COc1ccc(C[N@H+](C)CC(=O)NCC(C)(C)C)c(OC)c1
342087603	ZINC000609030668	low	5.1	-44.19	1	252.339	1.423	0	3	4	CS[C@@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1
214182474	ZINC000278481239	low	7.24	-44.27	1	306.332	2.548	2	2	6	CC[C@H](C)[C@@H](NC(=O)N[C@H](C)Cn1cc[nH+]c1)C(F)(F)F
342087604	ZINC000625366396	ref	6.33	-11.92	0	257.374	1.932	0	3	6	CCO[C@H](C(=O)N(C)C[C@@H]1CCCOC1)C(C)C
342087605	ZINC000625366526	ref	7.79	-34.6	1	280.412	1.888	1	2	3	COC1CC(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)C1
365631043	ZINC000625061163	low	6.53	-40.46	1	308.422	2.298	2	3	7	COc1ccc(C[N@@H+](C)CC(=O)NCC(C)(C)C)c(OC)c1
214182478	ZINC000278481971	ref	2.51	-6.08	0	303.2	1.58	2	4	5	Cc1ccnc(N(C)CC(C)(CO)CO)c1Br
214182480	ZINC000278480858	ref	4.93	-11.83	0	317.385	2.284	0	5	4	O=C(CCN1CCO[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2
365631049	ZINC000625059374	ref	6.5	-8.35	0	320.437	2.197	0	6	4	CC(C)Cn1c([C@@H]2CCCOC2)nnc1N1CC2(CCCO2)C1
214182484	ZINC000278480858	mid	7.3	-47.78	1	317.385	2.284	1	4	4	O=C(CC[N@@H+]1CCO[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2
214182486	ZINC000278480858	mid	6.87	-49.11	1	317.385	2.284	1	4	4	O=C(CC[N@H+]1CCO[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2
214182490	ZINC000278480327	ref	3.16	-12.0	0	308.382	2.491	1	7	8	CC[C@@H](O)c1nccn1Cc1nc([C@H](C)OCC(C)C)no1
342087606	ZINC000048400646	ref	7.8	-39.59	1	282.384	1.416	1	3	4	COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCCCC1
214182493	ZINC000278481703	ref	5.7	-15.29	0	312.797	2.795	1	3	5	COC(C)(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(C)C)c1
214182496	ZINC000278481290	ref	5.92	-12.53	0	320.364	2.675	0	4	3	CC1=C(C(=O)N2CCC(Oc3ncccc3F)CC2)CCCO1
168364620	ZINC000368497213	ref	7.07	-10.62	0	349.316	3.323	1	6	6	Cc1ccc(F)c(NCc2nnnn2-c2ccc(OC(F)F)cc2)c1
349534265	ZINC000618810844	ref	8.5	-82.04	2	265.445	1.887	2	1	4	CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC3(C)CC3)C2)CC1
349534268	ZINC000618810844	mid	8.54	-83.28	2	265.445	1.887	2	1	4	CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3(C)CC3)C2)CC1
349534270	ZINC000618810844	mid	6.06	-32.78	1	265.445	1.887	1	2	4	CC(C)N1CCN([C@@H]2CC[N@H+](CC3(C)CC3)C2)CC1
210257259	ZINC000004716548	ref	7.57	-52.49	-1	332.44	4.047	1	4	4	C[C@@H]1CC[C@]2(C)C(C(=O)[O-])=C[C@@H](O)C[C@H]2[C@@]1(C)CCc1ccoc1
349534272	ZINC000618810844	mid	6.11	-32.36	1	265.445	1.887	1	2	4	CC(C)N1CCN([C@@H]2CC[N@@H+](CC3(C)CC3)C2)CC1
349534275	ZINC000618812245	ref	4.53	-23.89	0	285.307	1.537	0	6	3	Cc1ccc2oc(C(=O)N(C)Cc3cn(C)nn3)cc2n1
349534278	ZINC000618812543	ref	6.42	-26.58	0	286.335	1.219	0	5	5	CC(=O)c1ccc(CC(=O)N(C)Cc2cn(C)nn2)cc1
342087607	ZINC000048400646	mid	8.12	-39.4	1	282.384	1.416	1	3	4	COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)N1CCCCC1
342087608	ZINC000048400646	mid	6.09	-9.64	0	282.384	1.416	0	4	4	COC(=O)C[C@@H]1CCCCN1CC(=O)N1CCCCC1
349534282	ZINC000618811505	ref	6.8	-11.46	0	276.315	1.545	0	4	5	CN(Cc1cn(C)nn1)C(=O)CCc1ccc(F)cc1
349534285	ZINC000618811846	ref	5.48	-22.58	0	288.351	1.586	0	5	5	COc1ccc([C@@H](C)C(=O)N(C)Cc2cn(C)nn2)cc1
342087609	ZINC000625366389	ref	3.26	-8.13	0	290.429	1.464	0	3	2	CC1(C)CCC(C)(C)N(S(=O)(=O)N2CCOCC2)C1
342087610	ZINC000625368049	ref	1.81	-10.82	0	276.267	1.681	1	4	3	O=C(NCc1cocn1)[C@@H]1COc2cc(F)ccc2C1
210257267	ZINC000004719710	ref	9.8	-5.51	0	344.227	5.415	1	1	1	Fc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@@H]32)cc1
210257272	ZINC000004715621	ref	7.72	-19.0	0	344.352	2.464	1	7	3	Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2)sc2ncn(C)c(=O)c12
349534288	ZINC000618811495	ref	4.88	-20.83	0	290.371	1.347	0	6	3	Cc1c(C(=O)N(C)Cc2cn(C)nn2)cnn1C(C)(C)C
342087611	ZINC000625366483	ref	9.18	-42.73	1	280.412	1.888	1	2	5	CCO[C@@H](C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CC1
342087612	ZINC000625366483	high	7.0	-9.27	0	280.412	1.888	0	3	5	CCO[C@@H](C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1
342087613	ZINC000621361486	ref	0.88	-4.79	0	261.778	1.642	1	5	3	C[C@@H]1CCN(Cc2nnsc2Cl)C[C@H]1CO
342087614	ZINC000575601877	ref	5.54	-9.24	0	273.336	1.243	0	5	4	CCOC(=O)CN1CCN(c2ccc(C#N)cc2)CC1
343993602	ZINC000079910665	ref	7.22	-10.99	0	278.396	2.107	1	2	6	CCCC(=O)NC[C@@H]1CCCN(C(=O)/C=C/C2CC2)C1
349534291	ZINC000618811576	ref	6.97	-10.58	0	280.368	1.816	2	3	3	COC(=O)C1CCC(NC(=O)N[C@H]2[C@H]3CCC[C@H]32)CC1
343995095	ZINC000625565444	ref	5.3	-35.2	1	241.375	1.63	3	2	6	C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@@H]1CC1(C)C
365631038	ZINC000367180162	ref	3.79	-10.52	0	275.333	1.662	1	5	2	O=C(N[C@H]1CCc2ccccc2OC1)c1cnns1
365631047	ZINC000354698413	ref	8.37	-48.45	1	290.411	1.702	1	3	2	C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3nccn32)CC[N@@H+]1C
365631056	ZINC000354698413	mid	8.45	-77.54	2	290.411	1.702	1	3	2	C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3nccn32)CC[N@H+]1C
365631061	ZINC000354698413	mid	8.84	-76.85	2	290.411	1.702	1	2	2	C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C
365631069	ZINC000354698413	mid	6.08	-13.78	0	290.411	1.702	1	2	2	C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1C
342087615	ZINC000621361482	ref	2.45	-6.84	0	282.428	1.632	3	2	4	C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1CO
365631075	ZINC000354698413	high	6.08	-13.78	0	290.411	1.702	0	4	2	C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCCc3nccn32)CCN1C
365631083	ZINC000354699263	ref	3.46	-11.69	0	261.387	1.665	1	3	7	O=S(=O)(CC1CC1)NCCC[C@H]1CCCCO1
365631098	ZINC000354697901	ref	6.65	-9.12	0	288.395	1.686	0	5	4	CN(C)c1ncc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1
365631108	ZINC000354697901	low	9.23	-38.16	1	288.395	1.686	1	4	4	CN(C)c1ncc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1
365631112	ZINC000354697901	low	9.66	-40.27	1	288.395	1.686	1	4	4	CN(C)c1ncc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1
342087616	ZINC000621361482	mid	5.23	-35.59	1	282.428	1.632	3	2	4	C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1CO
365631121	ZINC000354699380	ref	2.97	-45.55	1	257.378	1.324	3	2	6	CC(C)(C)OCCCC[N@@H+]1CC[C@H](NC(N)=O)C1
342087617	ZINC000621361482	mid	2.45	-6.84	0	282.428	1.632	2	3	4	C[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1CO
342087618	ZINC000625368152	ref	1.63	-13.78	0	292.42	1.672	2	2	7	O=S(=O)(CCCF)NC[C@H]1CC[N@@H+]1C1CCCCC1
187168654	ZINC000125077211	ref	6.83	-5.63	0	284.791	2.423	1	5	5	CNc1c(Cl)ncnc1N1CC[C@H](OCC(C)C)C1
342087619	ZINC000625368152	mid	4.5	-49.13	1	292.42	1.672	2	2	7	O=S(=O)(CCCF)NC[C@H]1CC[N@H+]1C1CCCCC1
342087620	ZINC000625368152	high	1.63	-13.78	0	292.42	1.672	1	3	7	O=S(=O)(CCCF)NC[C@H]1CCN1C1CCCCC1
342087621	ZINC000625367908	ref	2.06	-16.57	0	299.33	1.453	1	4	4	O=C(NCc1cocn1)[C@@H]1CCN(C(=O)c2ccccc2)C1
342087622	ZINC000048400707	ref	6.25	-46.27	1	295.339	1.339	1	6	5	COC(=O)C[C@H]1CCCCN1CC(=O)Nc1cc(C)no1
342087623	ZINC000048400707	low	6.44	-50.49	1	295.339	1.339	2	5	5	COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)no1
342087624	ZINC000048400707	low	6.25	-46.27	1	295.339	1.339	2	5	5	COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)no1
342087625	ZINC000609030843	ref	6.45	-14.12	0	271.364	1.852	1	3	4	C[C@H](CC#N)N[C@H](C)C(=O)N1CCc2ccccc2C1
342087626	ZINC000609030843	low	7.36	-50.23	1	271.364	1.852	1	2	4	C[C@H](CC#N)[NH2+][C@H](C)C(=O)N1CCc2ccccc2C1
342087627	ZINC000622702171	ref	3.66	-16.27	0	278.327	1.356	2	2	4	CC(C)(C(=O)NC[C@@H]1CNC(=O)C1)c1ccc(F)cc1
168364624	ZINC000368497528	ref	7.54	-8.71	0	338.224	3.411	1	3	4	Fc1cccc(Br)c1CNCc1cnc2n1CCCC2
342087628	ZINC000046778805	ref	5.75	-12.23	0	299.359	1.962	1	6	4	Cc1ncsc1C(=O)NCc1cccnc1-n1cccn1
342087629	ZINC000625366555	ref	2.65	-41.03	-1	253.323	1.637	1	3	4	O=S(=O)(NCC1CC=CC1)c1ccccc1[O-]
197590978	ZINC000162780742	ref	0.81	-9.75	0	314.432	2.753	1	7	9	CCCc1nnc(SC[C@H](O)COCc2cccs2)o1
342087630	ZINC000625366555	mid	1.79	-8.52	0	253.323	1.637	2	3	4	O=S(=O)(NCC1CC=CC1)c1ccccc1O
210257280	ZINC000004716816	ref	6.77	-33.21	-1	337.313	2.445	0	6	6	O=[N+]([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2)c([N+](=O)[O-])c1
365631054	ZINC000625060183	ref	3.75	-11.16	0	319.467	2.07	1	4	7	CCOC1(CS(=O)(=O)N[C@H]2CCC[C@H]2CC)CCOCC1
343993604	ZINC000599270274	ref	6.57	-3.7	0	287.425	1.782	0	5	7	CCOC(=O)[C@H]1CSCCN1C[C@@H](OCC)C1CC1
342087631	ZINC000048400644	ref	7.19	-39.56	1	282.384	1.463	2	3	5	COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC1CCCC1
365631060	ZINC000625059879	ref	3.95	-15.43	0	317.382	2.168	0	4	4	COc1ccc(N(C)S(=O)(=O)[C@@H]2COC(C)(C)C2)cc1F
210257291	ZINC000004719118	ref	7.95	-34.62	1	338.512	2.447	1	3	7	C[N+]1(C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CCOCC1
168364626	ZINC000368497528	low	8.01	-26.51	1	338.224	3.411	1	2	4	Fc1cccc(Br)c1CNCc1c[nH+]c2n1CCCC2
168364630	ZINC000368496975	ref	9.94	-54.71	1	327.476	3.29	1	4	5	Cn1cc(C[NH2+]Cc2cnc3n2CCCC3)c(C2CCCCC2)n1
210257297	ZINC000004715630	ref	9.0	-18.47	0	346.386	3.956	2	3	6	O=C(COc1ccccc1)Nc1cccc(NC(=O)c2ccccc2)c1
282121798	ZINC000449151545	ref	5.35	-58.09	1	283.375	2.137	2	2	5	Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H](C)Cc1ccncc1
342087632	ZINC000048400644	mid	7.0	-35.72	1	282.384	1.463	2	3	5	COC(=O)C[C@H]1CCCC[N@H+]1CC(=O)NC1CCCC1
342087633	ZINC000048400644	mid	4.71	-11.37	0	282.384	1.463	1	4	5	COC(=O)C[C@H]1CCCCN1CC(=O)NC1CCCC1
306234630	ZINC000557913669	ref	5.43	-14.58	0	327.363	1.684	2	6	7	OC[C@H](NCc1nnnn1Cc1ccccc1)c1ccc(F)cc1
187168656	ZINC000125066357	ref	6.6	-42.71	1	269.78	1.558	2	4	3	CNc1c(Cl)ncnc1N1C[C@@H](C)[C@@H]([NH+](C)C)C1
187168657	ZINC000125078224	ref	8.64	-32.92	1	274.408	2.483	2	1	6	CC[C@@H](C(=O)NCC1(c2ccccc2C)CC1)[NH+](C)C
187168658	ZINC000125078224	high	6.67	-6.14	0	274.408	2.483	1	2	6	CC[C@@H](C(=O)NCC1(c2ccccc2C)CC1)N(C)C
214182468	ZINC000337618777	ref	2.71	-12.04	0	290.285	2.381	2	3	6	CC[C@@H](O)CCCNC(=O)c1ccncc1C(F)(F)F
210257315	ZINC000004719707	ref	9.23	-5.32	0	344.227	5.415	1	1	1	Fc1ccc([C@H]2Nc3ccc(Br)cc3[C@H]3C=CC[C@H]32)cc1
342087634	ZINC000625368087	ref	3.36	-30.75	1	257.374	1.275	2	3	7	CCO[C@H](C[N@H+](C)C1(CO)CCOCC1)C1CC1
342087635	ZINC000625368087	mid	3.63	-32.93	1	257.374	1.275	2	3	7	CCO[C@H](C[N@@H+](C)C1(CO)CCOCC1)C1CC1
342087636	ZINC000609030667	ref	4.64	-12.87	0	252.339	1.423	0	4	4	CS[C@H](C)C(=O)N1CC(Oc2ccncc2)C1
365631062	ZINC000617413394	ref	5.84	-48.81	1	283.397	0.819	2	4	4	Cc1csc(=O)n1CCC(=O)N[C@@H]1CCC[N@@H+](C)C1
210257322	ZINC000004718523	ref	8.77	-2.75	0	346.257	5.829	1	2	2	COc1cccc2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@H]21
214182473	ZINC000337618340	ref	5.45	-15.94	0	286.375	2.015	2	2	4	CC[C@@H]1C[C@]1(NC(=O)[C@H]1CCC(=O)N1)c1cccc(C)c1
210257329	ZINC000004719013	ref	8.55	-25.08	0	338.316	1.267	1	7	7	CCOC(=O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)c1cccc([N+](=O)[O-])c1
365631066	ZINC000617413394	mid	5.3	-46.57	1	283.397	0.819	2	4	4	Cc1csc(=O)n1CCC(=O)N[C@@H]1CCC[N@H+](C)C1
210257338	ZINC000004715627	ref	5.3	-24.5	0	346.88	2.577	1	3	7	Cc1ccc(Cl)cc1N(CC(=O)NCCC(C)C)S(C)(=O)=O
365631071	ZINC000617413394	high	2.95	-13.31	0	283.397	0.819	1	5	4	Cc1csc(=O)n1CCC(=O)N[C@@H]1CCCN(C)C1
210257345	ZINC000004720251	ref	6.6	-10.54	0	340.395	3.125	1	5	6	OCc1cnc(SCc2cc(F)cc(F)c2)n1C[C@H]1CCCO1
214182477	ZINC000337619601	ref	6.06	-12.97	0	280.331	2.11	1	5	5	COc1cccc(CCNc2ncnc3ccccc23)n1
210257354	ZINC000004716032	ref	4.56	-41.19	-1	340.313	1.682	1	7	7	O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1
342087637	ZINC000609030667	low	5.1	-44.75	1	252.339	1.423	0	3	4	CS[C@H](C)C(=O)N1CC(Oc2cc[nH+]cc2)C1
342087638	ZINC000621361485	ref	0.34	-4.64	0	261.778	1.642	1	5	3	C[C@H]1CCN(Cc2nnsc2Cl)C[C@@H]1CO
342087639	ZINC000609030844	ref	6.35	-16.01	0	271.364	1.852	1	3	4	C[C@H](N[C@H](C)CC#N)C(=O)N1CCc2ccccc2C1
342594526	ZINC000616962787	ref	2.62	-16.49	0	293.392	1.727	2	4	3	Cc1nc(C2CCCC2)sc1C(=O)N[C@@H]1CCNC1=O
342594527	ZINC000616962010	ref	3.4	-19.78	0	268.357	1.119	2	3	5	CC[C@H](OC1CCCCC1)C(=O)N[C@@H]1CCNC1=O
365631067	ZINC000625058975	ref	5.17	-9.47	0	309.435	2.099	0	4	1	C[C@H]1CN(C(=O)N2CCN(c3cccs3)CC2)C[C@@H](C)O1
290622275	ZINC000492520259	ref	3.2	-17.86	0	255.277	2.143	2	4	3	Cc1cccc(NC(=O)/C=C\c2cncc(O)c2)n1
342594528	ZINC000616961598	ref	3.42	-17.36	0	282.29	1.463	2	2	4	C[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1F
342594529	ZINC000626227912	ref	1.25	-15.14	0	282.727	1.899	3	3	3	C[C@@H](C(=O)Nc1cc(Cl)ccc1O)[C@H]1CCC(=O)N1
230723642	ZINC000414270868	ref	4.85	-16.07	0	324.368	3.392	0	4	5	CCCc1nc(C[S@@](=O)C2CCC(C(F)(F)F)CC2)no1
365631072	ZINC000625059479	ref	4.93	-14.7	0	320.842	2.008	0	4	4	CN(Cc1cc(Cl)cn1C)S(=O)(=O)[C@H]1COC(C)(C)C1
230723645	ZINC000414273996	ref	8.9	-52.05	1	305.418	3.327	1	3	6	CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1ccc(C(=O)OC)cc1
365631080	ZINC000625059630	ref	5.38	-9.68	0	310.419	2.351	0	4	1	C[C@H]1CN(C(=O)N2CCO[C@@H](c3ccsc3)C2)C[C@@H](C)O1
365631086	ZINC000625062370	ref	4.44	-7.93	0	310.419	2.434	0	4	4	CC(C)Oc1cncc(S(=O)(=O)N2CCC3(CCC3)C2)c1
282121799	ZINC000425608809	ref	10.46	-36.66	1	336.439	2.877	1	3	4	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccnc(C2CC2)n1
365631091	ZINC000625062368	ref	0.96	-18.43	0	324.377	2.1	0	5	4	CN(Cc1coc(-c2ccccc2F)n1)[C@H]1CCS(=O)(=O)C1
365631101	ZINC000625060209	ref	8.27	-12.15	0	321.327	2.354	0	4	4	CCN(Cc1c(F)cccc1F)C(=O)c1cn2c(n1)COCC2
365631106	ZINC000625059095	ref	6.21	-14.53	0	310.344	2.228	1	2	5	CCN(Cc1c(F)cccc1F)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1
365631113	ZINC000625061118	ref	3.11	-8.37	0	313.41	2.235	1	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCC(C)(O)CC1
365631120	ZINC000625061737	ref	2.74	-8.67	0	305.407	2.116	0	7	4	c1csc(N2CCN(Cc3noc(C4CCC4)n3)CC2)n1
365631128	ZINC000625060670	ref	1.92	-5.77	0	318.808	2.461	0	5	4	COc1cncc(CN2CCN(c3cccc(Cl)c3)CC2)n1
365631134	ZINC000625060670	low	5.01	-45.92	1	318.808	2.461	1	4	4	COc1cncc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)n1
282121813	ZINC000425608809	high	9.4	-9.43	0	336.439	2.877	0	4	4	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)c1ccnc(C2CC2)n1
282121826	ZINC000367462425	ref	9.95	-40.46	1	341.499	2.548	1	2	4	C[NH+](C)C[C@@H]1CCN([C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1
342087640	ZINC000609030844	low	7.23	-49.9	1	271.364	1.852	1	2	4	C[C@H]([NH2+][C@H](C)CC#N)C(=O)N1CCc2ccccc2C1
214182483	ZINC000337616950	ref	6.82	-13.65	0	278.396	2.106	1	2	4	CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1
342087641	ZINC000622702168	ref	0.1	-12.04	0	293.27	1.028	2	4	3	O=C1C[C@H](CNC(=O)c2csc(C(F)(F)F)n2)CN1
342087642	ZINC000621361882	ref	1.93	-8.71	0	294.37	1.392	3	2	5	C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2F)C[C@@H]1CO
342087643	ZINC000621361882	mid	4.71	-36.08	1	294.37	1.392	3	2	5	C[C@@H]1CC[N@@H+](CC(=O)NCc2ccccc2F)C[C@@H]1CO
342087644	ZINC000621361882	mid	1.93	-8.71	0	294.37	1.392	2	3	5	C[C@@H]1CCN(CC(=O)NCc2ccccc2F)C[C@@H]1CO
214182485	ZINC000337616740	ref	6.27	-9.47	0	266.385	2.387	1	2	5	O=C(NCC1CCCC1)N(C[C@H]1CCOC1)C1CC1
214182489	ZINC000337616013	ref	6.48	-14.91	0	260.341	2.157	2	2	5	CCN(CC)C(=O)NCCc1c[nH]c2ncccc12
398248072	ZINC000651458070	ref	6.67	-7.17	0	274.286	3.327	1	3	6	C[C@@H](COCC1CC1)Nc1cccc(C(F)(F)F)n1
342087645	ZINC000625367959	ref	3.66	-11.9	0	254.289	1.877	1	3	3	O=C(NCc1cocn1)[C@H]1[C@H]2c3ccccc3C[C@H]21
398248074	ZINC000651458805	ref	7.37	-8.83	0	290.329	3.301	1	1	1	C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)NC1CC2(CCC2)C1
342087646	ZINC000622702167	ref	0.1	-12.06	0	293.27	1.028	2	4	3	O=C1C[C@@H](CNC(=O)c2csc(C(F)(F)F)n2)CN1
342087647	ZINC000625368153	ref	1.84	-11.29	0	292.42	1.672	2	2	7	O=S(=O)(CCCF)NC[C@@H]1CC[N@@H+]1C1CCCCC1
365639794	ZINC000576605673	ref	7.57	-6.43	0	243.354	3.708	2	2	5	CCc1ccc(CC)c(N[C@@H](C)c2ncc[nH]2)c1
342087648	ZINC000625368153	mid	4.82	-48.58	1	292.42	1.672	2	2	7	O=S(=O)(CCCF)NC[C@@H]1CC[N@H+]1C1CCCCC1
214182491	ZINC000337619496	ref	3.26	-10.04	0	283.338	2.214	2	2	7	CC(C)C[C@@H](C)NC(=O)NCCN(C)CC(F)(F)F
342087649	ZINC000625368153	high	1.84	-11.29	0	292.42	1.672	1	3	7	O=S(=O)(CCCF)NC[C@@H]1CCN1C1CCCCC1
342087650	ZINC000625366310	ref	2.24	-11.17	0	287.303	1.451	1	3	7	O=S(=O)(CCOCC(F)(F)F)NCC1CC=CC1
342087651	ZINC000625366548	ref	4.39	-7.31	0	272.414	1.909	1	2	5	CCC1CCN(S(=O)(=O)NCC2CC=CC2)CC1
342087652	ZINC000046778464	ref	5.14	-11.23	0	289.379	1.867	1	4	5	O=C(C[C@H]1CCCO1)NCc1ccnc(N2CCCC2)c1
214182495	ZINC000337619691	ref	2.61	-14.32	0	254.311	0.701	1	5	6	CN(CCOCCO)C(=O)c1ccc(C#N)s1
259309336	ZINC000323007298	ref	4.27	-9.19	0	235.331	2.161	2	2	4	Cc1n[nH]cc1CNC(=O)C(C)(C)C1CCC1
342087653	ZINC000046778464	low	5.17	-38.1	1	289.379	1.867	1	3	5	O=C(C[C@H]1CCCO1)NCc1cc[nH+]c(N2CCCC2)c1
210257361	ZINC000004716032	high	4.16	-109.22	-2	340.313	1.682	0	7	7	O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccco1
210257364	ZINC000004719185	ref	9.36	-13.2	0	338.234	5.1	1	2	6	Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(Cl)c1
282121800	ZINC000447889758	high	7.13	-7.33	0	340.508	2.885	2	4	8	CCC(CC)(CN[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C)C(=O)OC
214182492	ZINC000053416401	ref	9.88	-17.54	0	342.428	2.628	1	7	6	C[C@@H](C1CC1)n1nccc1NC(=O)CSc1nnc2ccccn12
365631068	ZINC000274348098	mid	3.1	-51.04	1	272.308	1.536	2	5	6	OCC[C@@H]([NH2+]Cc1cnc2cnccn12)c1ccco1
214182497	ZINC000053418456	ref	10.89	-20.88	0	334.401	3.084	0	7	6	O=[N+]([O-])c1ccccc1OCCSc1nnc2n1CCCCC2
210257375	ZINC000004717887	ref	7.8	-13.24	0	340.81	4.005	1	3	5	Cc1ccc(C(=O)NCCOc2cccc3cccnc23)cc1Cl
290622276	ZINC000492520259	high	3.97	-62.55	-1	255.277	2.143	1	4	3	Cc1cccc(NC(=O)/C=C\c2cncc([O-])c2)n1
398248076	ZINC000651458651	ref	8.76	-6.97	0	271.364	3.165	1	4	6	Cc1ccc2ncnc(N[C@@H](C)COCC3CC3)c2c1
210257316	ZINC000019524426	low	9.93	-23.01	0	398.488	3.155	1	5	4	CCn1c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)nc2ccccc21
230723643	ZINC000425414207	ref	5.64	-16.9	0	317.368	2.034	2	4	7	C=CCn1cc(CNC(=O)N[C@@H](C)Cc2ccccc2F)nn1
230723646	ZINC000425415585	ref	3.73	-9.22	0	320.311	2.462	2	3	7	COCCOc1cccc(CNC(=O)N[C@@H](C)C(F)(F)F)c1
365631073	ZINC000274345369	ref	4.4	-6.65	0	250.302	1.062	1	4	4	CCC[C@H](C)N(C)C(=O)C(=O)Nc1cncnc1
365631077	ZINC000274347509	ref	6.48	-11.65	0	298.346	1.952	1	4	3	O=C(Nc1cncnc1)N1CCO[C@@H](Cc2ccccc2)C1
365631085	ZINC000274348533	ref	0.68	-10.9	0	280.372	1.46	4	3	6	Cc1n[nH]cc1CNC(=O)NCC1(CCO)CCCC1
210257320	ZINC000019524554	ref	9.6	-10.72	0	394.519	4.992	0	6	6	CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1
342594530	ZINC000626227912	high	2.02	-44.02	-1	282.727	1.899	2	3	3	C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])[C@H]1CCC(=O)N1
210257325	ZINC000019524554	mid	11.72	-36.05	1	394.519	4.992	1	5	6	CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1
342594531	ZINC000616961443	ref	2.98	-15.97	0	252.358	1.598	2	2	3	CC1(C)CCCC[C@H]1CC(=O)N[C@H]1CCNC1=O
210256160	ZINC000428366833	ref	0.39	-15.3	0	329.346	0.829	2	6	7	COC(=O)c1sccc1S(=O)(=O)N[C@@H](CO)CC(F)F
342087654	ZINC000625366360	ref	4.58	-7.72	0	260.403	1.909	1	2	8	CCCN(CCC)S(=O)(=O)NCC1CC=CC1
342087655	ZINC000625366362	ref	3.84	-11.83	0	259.371	1.297	1	3	7	CO[C@H](CS(=O)(=O)NCC1CC=CC1)C1CC1
214182498	ZINC000337618126	ref	1.28	-12.07	0	296.367	2.295	3	4	7	CC[C@@H](CCO)NC(=O)Nc1cc(OC)cc(OC)c1C
342087656	ZINC000625368088	ref	3.49	-32.23	1	257.374	1.275	2	3	7	CCO[C@@H](C[N@H+](C)C1(CO)CCOCC1)C1CC1
349534266	ZINC000594967235	ref	8.14	-56.88	1	269.323	2.733	1	2	5	Cc1ccncc1CC[NH2+]Cc1ccc(C#N)cc1F
214182501	ZINC000337615959	ref	4.67	-13.82	0	281.36	0.743	2	5	5	CCn1cnnc1CNC(=O)N1CCC[C@@H]1C[C@@H](C)O
214182507	ZINC000337617465	ref	6.11	-12.65	0	288.372	3.461	1	4	6	O=C(CC1CC1)Nc1cccc(OCc2cscn2)c1
214182510	ZINC000337617530	ref	6.02	-13.82	0	293.392	2.499	2	3	6	CC(C)CCc1cc(=NC(=O)COc2ccsc2)[nH][nH]1
214182513	ZINC000337617089	ref	3.56	-23.03	0	291.319	2.386	1	3	5	CC(C)S(=O)(=O)CC(=O)Nc1cccc(C(F)F)c1
342087657	ZINC000625368088	mid	3.88	-31.76	1	257.374	1.275	2	3	7	CCO[C@@H](C[N@@H+](C)C1(CO)CCOCC1)C1CC1
342087658	ZINC000625366530	ref	7.4	-42.72	1	296.802	1.774	1	3	2	Cn1cc(Cl)c(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)n1
214182517	ZINC000337615353	ref	5.58	-9.47	0	263.381	2.459	2	2	8	CCc1cccc(CC(=O)NCCC[C@H](O)CC)c1
342087659	ZINC000625366530	high	5.27	-11.57	0	296.802	1.774	0	4	2	Cn1cc(Cl)c(C(=O)N2CC[C@@H](N3CCCCC3)C2)n1
214182520	ZINC000337619495	ref	3.31	-10.1	0	283.338	2.214	2	2	7	CC(C)C[C@H](C)NC(=O)NCCN(C)CC(F)(F)F
214182523	ZINC000337615979	ref	2.44	-6.47	0	265.269	0.799	2	5	5	Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@H](O)C1CC1
214182528	ZINC000337616161	ref	6.3	-11.75	0	283.318	3.103	1	2	6	CC[C@@H](C(=O)NC1(C(F)F)CC1)c1ccc(OC)cc1
349534269	ZINC000594967235	high	6.76	-8.6	0	269.323	2.733	1	3	5	Cc1ccncc1CCNCc1ccc(C#N)cc1F
342087660	ZINC000609030881	ref	6.13	-16.14	0	257.337	1.858	1	3	4	C[C@H](CC#N)NCC(=O)N1CCCc2ccccc21
214182531	ZINC000337615883	ref	4.74	-8.32	0	298.427	2.003	2	3	8	COCC[C@H](C)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1
214182536	ZINC000337619070	ref	6.91	-49.44	1	296.374	3.301	2	4	7	C[NH2+]CCCCNc1ncnc2oc(-c3ccccc3)cc12
214182541	ZINC000337615711	ref	4.58	-10.17	0	265.357	2.448	2	2	5	CCCC[C@@H](C)C(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1
342087661	ZINC000609030881	low	7.21	-54.93	1	257.337	1.858	1	2	4	C[C@H](CC#N)[NH2+]CC(=O)N1CCCc2ccccc21
342087662	ZINC000609030378	ref	7.59	-95.99	2	273.38	1.911	1	4	6	C[C@H](CC#N)NCc1ccc(CN2CCOCC2)cc1
299072137	ZINC000354602061	low	7.54	-44.77	1	325.478	0.895	1	3	3	C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@H]2CCSC2)CC1
365631078	ZINC000617413219	ref	4.53	-48.37	1	253.346	0.208	2	2	2	CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1
365631084	ZINC000617413219	mid	5.07	-49.8	1	253.346	0.208	2	2	2	CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](C)C1
219047791	ZINC000350682571	low	4.99	-29.12	1	251.374	2.375	2	3	7	CCC(O)(CC)CCNc1cc[nH+]c(C(C)C)n1
365631088	ZINC000617413219	mid	2.18	-16.55	0	253.346	0.208	1	3	2	CC(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCN(C)C1
219047794	ZINC000350684350	ref	6.88	-10.87	0	289.375	2.268	1	3	4	COc1cccc2c1[C@@H](C(=O)NC[C@H]1CCCOC1)CC2
398248078	ZINC000651457522	ref	6.39	-7.25	0	289.404	3.432	1	5	7	C[C@@H](COCC1CC1)Nc1cncc(-c2cccs2)n1
299072141	ZINC000354603428	ref	6.73	-17.02	0	340.42	0.42	0	6	4	COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)O1
299072143	ZINC000354603428	low	7.25	-41.2	1	340.42	0.42	1	5	4	COC(=O)[C@@H]1CC[C@H](C(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)O1
342594532	ZINC000616962009	ref	1.99	-15.66	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(F)cc(Cl)c1
342594533	ZINC000616961594	ref	4.03	-18.43	0	260.337	1.575	2	2	5	C[C@@H](CCC(=O)N[C@H]1CCNC1=O)c1ccccc1
365631093	ZINC000617413927	ref	4.16	-45.66	1	281.381	0.688	3	3	4	C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1
219047804	ZINC000350694323	ref	3.2	-12.55	0	291.351	2.104	3	3	4	COc1c(NC(=O)N[C@H]2CCC2(C)C)cccc1C(N)=O
365631100	ZINC000617413927	mid	3.62	-44.62	1	281.381	0.688	3	3	4	C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1
168365939	ZINC000043379344	low	4.58	-102.96	2	193.172	1.334	1	1	2	C[C@@H]([NH3+])[C@@H](n1cc[nH+]c1)C(F)(F)F
365631104	ZINC000617413927	high	1.26	-9.68	0	281.381	0.688	2	4	4	CN1CCC[C@@H](NC(=O)CNC(=O)c2cccs2)C1
398248080	ZINC000651458418	ref	8.4	-6.38	0	282.453	3.246	1	2	1	CC1(C)CCN(C(=O)NC2CC3(CCC3)C2)CCS1
214182503	ZINC000278481913	ref	8.84	-46.65	1	315.377	2.087	1	5	5	Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1
219047808	ZINC000350686296	ref	2.8	-6.61	0	267.373	2.455	2	5	7	CCC(O)(CC)CCNc1nc(C)nc(OC)c1C
219047810	ZINC000350684298	ref	4.77	-9.53	0	255.321	2.103	1	4	2	C[C@@H]1C[C@@H](O)CN1c1cncc(-c2ccccc2)n1
219047814	ZINC000350686077	ref	8.3	-5.28	0	269.348	3.123	1	4	4	CO[C@H]1CC[C@H](Nc2ncncc2-c2ccccc2)C1
259309337	ZINC000323007298	mid	4.23	-8.91	0	235.331	2.161	2	2	4	Cc1[nH]ncc1CNC(=O)C(C)(C)C1CCC1
210257330	ZINC000019524554	mid	11.83	-38.92	1	394.519	4.992	1	5	6	CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)on2)c(C)n1
365631087	ZINC000623061639	ref	5.17	-65.59	1	315.381	1.314	2	5	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@H]([NH3+])C[C@H]1C
365631099	ZINC000623062615	ref	1.59	-64.63	1	311.407	1.434	2	3	2	C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
365631110	ZINC000623062148	ref	6.73	-11.47	0	323.344	1.901	0	6	7	CCN(CCC(F)(F)F)C(=O)CSc1nnnn1C1CC1
214182502	ZINC000053410873	ref	8.2	-12.83	0	349.438	2.805	1	5	4	Cn1cc(CNC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)cn1
214182504	ZINC000053432168	ref	6.03	-10.01	0	333.476	1.724	0	4	8	CCN(CC)C(=O)CN1CCN(CCc2ccc(OC)cc2)CC1
342594534	ZINC000616962072	ref	4.03	-18.63	0	258.321	1.014	2	2	4	O=C1NCC[C@H]1NC(=O)C1(Cc2ccccc2)CC1
210257336	ZINC000019525466	ref	8.0	-24.49	0	395.415	3.744	1	7	7	CCCc1cc2c(cc1NC(=O)COc1ccccc1-c1nc(C)no1)OCO2
365631118	ZINC000623063167	ref	4.68	-10.23	0	312.373	1.862	2	5	4	CCn1cc(C(=O)C(=O)N[C@@H]2CCCc3cc(N)ccc32)cn1
210257342	ZINC000019525598	ref	9.28	-12.44	0	391.475	4.155	0	6	5	CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)c2ccncc2)n1
365631130	ZINC000623062437	ref	8.13	-19.81	0	316.283	1.297	0	5	5	CCN(CCC(F)(F)F)C(=O)Cn1nc2ccccn2c1=O
210257348	ZINC000019524106	ref	11.02	-11.31	0	388.515	4.313	1	4	5	CCn1nc2c(c1C(=O)N[C@H](c1ccncc1)c1ccc(C)c(C)c1)CCCC2
210257353	ZINC000019522577	ref	7.01	-13.34	0	382.468	1.685	0	7	4	CCc1cc(N2CCOCC2)nc(C2CCN(C(=O)c3cnccn3)CC2)n1
187168659	ZINC000125080182	ref	0.88	-10.07	0	262.338	2.119	2	5	4	Cc1cnc([C@H](C)Nc2ccnc(C(N)=O)c2)s1
365631138	ZINC000623063318	ref	6.97	-17.44	0	320.311	1.909	0	4	7	CCN(CCC(F)(F)F)C(=O)c1ccc(=O)n(CCOC)c1
214182509	ZINC000053432168	mid	8.31	-44.05	1	333.476	1.724	1	3	8	CCN(CC)C(=O)CN1CC[NH+](CCc2ccc(OC)cc2)CC1
365631146	ZINC000623062684	ref	2.43	-56.36	1	301.35	1.939	2	4	3	C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
214182512	ZINC000053425489	ref	6.19	-23.1	0	328.401	1.982	1	7	5	Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)Cn1cnnn1
168365942	ZINC000041053863	ref	2.13	-31.74	1	186.299	0.833	2	2	3	C[C@@H](N)[C@@H](C)[N@H+](C)C1CCOCC1
365631092	ZINC000274348533	mid	0.65	-10.52	0	280.372	1.46	4	3	6	Cc1[nH]ncc1CNC(=O)NCC1(CCO)CCCC1
365631096	ZINC000274347009	ref	4.79	-42.27	1	289.423	1.621	2	2	7	CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CCNC1=O
365631103	ZINC000274347527	ref	3.31	-15.16	0	260.301	1.954	2	5	3	CCn1nc(C)c(NC(=O)Nc2cncnc2)c1C
365631111	ZINC000274347013	ref	4.7	-39.6	1	289.423	1.621	2	2	7	CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CCNC1=O
342594535	ZINC000616961405	ref	3.46	-17.95	0	290.363	1.62	2	3	4	CC(C)(C)OCc1ccccc1C(=O)N[C@H]1CCNC1=O
365631116	ZINC000274348250	ref	5.8	-80.74	2	263.385	1.937	1	2	5	CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@@H+]1CCOC
342594536	ZINC000616961508	ref	5.34	-17.79	0	288.391	1.993	2	2	5	CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H]2CCNC2=O)cc1
282121801	ZINC000248964908	mid	6.46	-48.51	1	321.377	1.935	3	4	6	Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](C)[C@H]1CO
282121807	ZINC000248965011	ref	2.85	-41.4	1	322.405	1.281	4	4	9	CC(=O)c1ccc(NC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc1
187168660	ZINC000125088182	ref	4.69	-15.89	0	292.339	2.018	2	5	5	Cc1cc(CNC(=O)N[C@@H](C)Cc2c(C)noc2C)on1
282121812	ZINC000248965011	mid	2.55	-43.64	1	322.405	1.281	4	4	9	CC(=O)c1ccc(NC(=O)CC[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1
365631122	ZINC000274348250	mid	5.9	-79.66	2	263.385	1.937	1	2	5	CC[C@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1CCOC
282121817	ZINC000248965011	high	0.32	-13.4	0	322.405	1.281	3	5	9	CC(=O)c1ccc(NC(=O)CCN(C[C@@H](C)O)[C@H](C)CO)cc1
282121820	ZINC000248965196	ref	0.39	-13.5	0	314.813	1.651	3	4	7	Cc1cccc(Cl)c1NC(=O)CN(C[C@H](C)O)[C@H](C)CO
282121825	ZINC000248965196	mid	2.31	-37.5	1	314.813	1.651	4	3	7	Cc1cccc(Cl)c1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO
282121828	ZINC000248965196	mid	3.83	-37.81	1	314.813	1.651	4	3	7	Cc1cccc(Cl)c1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO
282123622	ZINC000248986560	ref	4.27	-29.66	1	322.449	1.487	3	3	9	CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO
282123626	ZINC000248986560	mid	5.58	-30.39	1	322.449	1.487	3	3	9	CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO
282123631	ZINC000248986560	mid	3.17	-11.26	0	322.449	1.487	2	4	9	CC(C)N(Cc1ccccc1)C(=O)CN(C[C@H](C)O)[C@H](C)CO
342594537	ZINC000616961564	ref	4.06	-16.42	0	260.337	1.178	2	2	4	Cc1ccc(C[C@H](C)C(=O)N[C@H]2CCNC2=O)cc1
342594538	ZINC000616962069	ref	4.27	-19.19	0	278.327	1.399	2	2	5	C[C@@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCNC1=O
214182505	ZINC000278481913	high	7.8	-10.48	0	315.377	2.087	1	6	5	Cn1nccc1N1CCC[C@H](NCc2ccccc2[N+](=O)[O-])C1
214182508	ZINC000278482441	ref	7.69	-11.0	0	300.74	2.829	0	4	6	CN(Cc1ccc(Cl)cc1)Cc1ncnn1CC(F)F
349534267	ZINC000602430099	ref	3.59	-9.72	0	248.33	2.455	0	5	5	Cc1nc([C@H]2CCCN2C[C@H](C)CCC#N)no1
349534271	ZINC000602430099	mid	6.09	-42.18	1	248.33	2.455	1	4	5	Cc1nc([C@H]2CCC[N@H+]2C[C@H](C)CCC#N)no1
342087663	ZINC000609030378	mid	5.14	-49.13	1	273.38	1.911	1	3	6	C[C@H](CC#N)[NH2+]Cc1ccc(CN2CCOCC2)cc1
214182511	ZINC000278481987	ref	1.33	-14.01	0	304.272	1.074	2	4	3	O=C(NCc1cccnn1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F
214182514	ZINC000278482282	ref	9.89	-8.9	0	323.44	2.741	1	3	6	C#CCC(CC#C)C(=O)NCc1ccnc(N2CCCCCC2)c1
214182516	ZINC000278482282	low	10.22	-37.37	1	323.44	2.741	1	2	6	C#CCC(CC#C)C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1
214182519	ZINC000278480519	ref	3.32	-53.87	1	308.245	1.429	1	3	6	C[C@H](CC[S@@](C)=O)[NH2+]Cc1c(Br)cnn1C
342087664	ZINC000609030378	low	7.59	-95.99	2	273.38	1.911	2	2	6	C[C@H](CC#N)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1
214182522	ZINC000278480519	mid	2.26	-16.19	0	308.245	1.429	1	4	6	C[C@H](CC[S@@](C)=O)NCc1c(Br)cnn1C
342087665	ZINC000609030885	ref	5.99	-15.01	0	257.337	1.858	1	3	4	C[C@@H](CC#N)NCC(=O)N1CCCc2ccccc21
343993607	ZINC000599270274	low	8.82	-31.33	1	287.425	1.782	1	4	7	CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](OCC)C1CC1
342087666	ZINC000609030885	low	7.21	-55.06	1	257.337	1.858	1	2	4	C[C@@H](CC#N)[NH2+]CC(=O)N1CCCc2ccccc21
343993610	ZINC000599270274	low	8.68	-30.8	1	287.425	1.782	1	4	7	CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](OCC)C1CC1
214182534	ZINC000278480436	ref	6.72	-18.87	0	314.341	1.776	0	5	3	CO[C@H]1C[C@H](C(=O)Oc2cccc3ncccc23)N(C(C)=O)C1
349534274	ZINC000602430099	mid	6.25	-41.51	1	248.33	2.455	1	4	5	Cc1nc([C@H]2CCC[N@@H+]2C[C@H](C)CCC#N)no1
342087667	ZINC000048400708	ref	6.45	-50.58	1	295.339	1.339	1	6	5	COC(=O)C[C@@H]1CCCCN1CC(=O)Nc1cc(C)no1
187168661	ZINC000125084420	ref	6.99	-9.13	0	284.359	2.41	1	3	2	Cc1cc(C#N)ccc1C(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C
210257332	ZINC000272863988	ref	7.91	-38.87	1	311.345	3.068	1	5	5	Cc1cnn(CCNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)c1
342087668	ZINC000048400708	low	6.12	-50.83	1	295.339	1.339	2	5	5	COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(C)no1
343993612	ZINC000248506344	ref	5.41	-43.09	1	297.443	1.663	3	2	5	CC[C@@H]1CN(C(=O)NCC2(C)CCC2)CC[N@@H+]1C[C@H](C)O
210257337	ZINC000272863988	high	7.53	-11.03	0	311.345	3.068	1	6	5	Cc1cnn(CCNc2cc(C)nc3ccc([N+](=O)[O-])cc23)c1
365631095	ZINC000336549281	ref	4.98	-13.19	0	276.327	2.242	1	2	3	COC[C@@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1
214182506	ZINC000293547168	ref	0.43	-12.45	0	371.231	0.835	3	4	6	O=C(CNC(=O)c1cccc(Br)c1)NC[C@H]1CC[C@@H](CO)O1
365631102	ZINC000336548378	ref	9.65	-40.8	1	285.391	2.346	1	2	2	CC[N@@H+]1CCCN(C(=O)c2cc3ccccc3n2C)CC1
365631107	ZINC000336548378	mid	9.64	-40.71	1	285.391	2.346	1	2	2	CC[N@H+]1CCCN(C(=O)c2cc3ccccc3n2C)CC1
214182515	ZINC000293549272	ref	1.24	-25.11	0	354.354	0.586	1	5	3	CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1
342594539	ZINC000616961439	ref	3.16	-18.23	0	290.344	1.935	2	4	3	Cc1ccc(-c2ccc(C(=O)N[C@H]3CCNC3=O)s2)o1
365631109	ZINC000336548378	high	7.6	-8.78	0	285.391	2.346	0	3	2	CCN1CCCN(C(=O)c2cc3ccccc3n2C)CC1
365631115	ZINC000336548194	ref	6.02	-9.14	0	251.236	2.434	1	3	3	CCn1ccnc1C(=O)Nc1cccc(F)c1F
342594540	ZINC000616962013	ref	3.62	-18.63	0	268.357	1.119	2	3	5	CC[C@@H](OC1CCCCC1)C(=O)N[C@@H]1CCNC1=O
210257343	ZINC000272864325	ref	8.74	-49.51	1	315.442	2.539	1	3	3	N#Cc1ccc(N2CCC[C@@H]([NH2+][C@@H]3CCCSC3)C2=O)cc1
210257347	ZINC000272864325	high	7.69	-11.38	0	315.442	2.539	1	4	3	N#Cc1ccc(N2CCC[C@@H](N[C@@H]3CCCSC3)C2=O)cc1
210257351	ZINC000272863961	ref	6.62	-15.34	0	306.793	2.524	1	3	3	C[C@H](O)[C@@H]1CCN(C(=O)Cn2ccc3ccc(Cl)cc32)C1
214182521	ZINC000293555699	ref	1.37	-11.36	0	359.473	0.504	1	7	6	COC(=O)c1cc(S(=O)(=O)NCCN2CCSCC2)cnc1C
210257356	ZINC000272863953	ref	4.78	-13.26	0	317.397	0.019	1	7	5	CC(C)CNC(=O)CN1CCN(c2cncc3ncnn23)CC1
210257358	ZINC000272863953	low	7.3	-51.3	1	317.397	0.019	2	6	5	CC(C)CNC(=O)C[NH+]1CCN(c2cncc3ncnn23)CC1
210257363	ZINC000272864137	ref	5.49	-13.68	0	323.349	2.684	2	5	6	COc1ccc(NC(=O)NCC[C@@H]2CCCCO2)cc1[N+](=O)[O-]
210257365	ZINC000272864501	ref	6.89	-9.15	0	305.3	2.962	2	3	4	CC[C@H]1C[C@H](CC(=O)Nc2nc(C(F)(F)F)c[nH]2)CCO1
342594541	ZINC000616962786	ref	2.62	-16.55	0	293.392	1.727	2	4	3	Cc1nc(C2CCCC2)sc1C(=O)N[C@H]1CCNC1=O
210257369	ZINC000272864501	mid	6.81	-8.05	0	305.3	2.962	2	3	4	CC[C@H]1C[C@H](CC(=O)Nc2ncc(C(F)(F)F)[nH]2)CCO1
343995096	ZINC000625565444	mid	5.32	-35.22	1	241.375	1.63	3	2	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@@H]1CC1(C)C
210257374	ZINC000272863949	ref	6.86	-16.57	0	323.356	2.534	1	6	4	Cc1nnc(NCc2ccc(N3CCOC3=O)cc2)c(C#N)c1C
210257377	ZINC000272864383	ref	8.63	-10.24	0	315.442	3.263	1	4	7	CC(C)CSCCNC(=O)c1cncnc1-c1ccccc1
210257380	ZINC000272863928	ref	4.47	-16.87	0	318.373	3.011	2	4	7	COCC[C@@H](NC(=O)c1cc(C(C)C)[nH]c(=O)c1)c1ccco1
210257385	ZINC000272864577	ref	7.0	-14.05	0	300.314	3.027	0	6	4	Cc1nc(COC(=O)Cc2coc3cc(C)c(C)cc23)no1
342594542	ZINC000616962813	ref	3.43	-19.18	0	292.31	1.039	2	3	5	C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCNC1=O
210257392	ZINC000272863787	ref	6.05	-10.05	0	312.413	2.903	3	3	8	C[C@@](O)(CC(=O)NCCCNc1ccccc1)c1ccccc1
214182518	ZINC000053436470	ref	2.89	-15.44	0	326.418	1.236	1	4	6	CCN(C[C@H]1CCCO1)C(=O)c1cccc(S(=O)(=O)NC)c1
349534273	ZINC000594967447	ref	6.31	-48.96	1	287.375	2.744	1	1	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2F)C1
299072138	ZINC000567660658	ref	3.52	-10.17	0	294.323	2.436	0	6	8	FC(F)c1noc(CSCCOC[C@@H]2CCCO2)n1
210257398	ZINC000272864561	ref	3.85	-20.3	0	324.446	2.13	2	3	7	C=CCS(=O)(=O)CCNC(=O)NC(C)(C)c1cccc(C)c1
190493175	ZINC000269428079	ref	8.15	-9.37	0	272.392	3.442	0	2	4	CCC1(CC)CCN(C(=O)/C=C/c2cncc(C)c2)C1
197590994	ZINC000290088254	ref	8.66	-11.11	0	290.407	1.612	0	2	6	C#CCN(C)C(=O)C[C@@H](CC(C)(C)C)C(=O)N(C)CC#C
210257402	ZINC000272864135	ref	5.49	-13.39	0	323.349	2.684	2	5	6	COc1ccc(NC(=O)NCC[C@H]2CCCCO2)cc1[N+](=O)[O-]
210257404	ZINC000272864448	ref	6.21	-6.21	0	313.756	2.362	0	4	3	COC(=O)[C@]1(F)CCN(Cc2cc(Cl)cc3c2OCC3)C1
210257407	ZINC000272864448	low	8.6	-37.39	1	313.756	2.362	1	3	3	COC(=O)[C@]1(F)CC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1
210257412	ZINC000272864448	low	8.7	-36.93	1	313.756	2.362	1	3	3	COC(=O)[C@]1(F)CC[N@@H+](Cc2cc(Cl)cc3c2OCC3)C1
187168662	ZINC000125081875	ref	2.65	-8.18	0	254.355	1.822	1	4	4	C[C@H](C(=O)NCc1cscn1)C1CCOCC1
210257340	ZINC000265964545	ref	6.56	-48.02	1	370.453	0.719	2	5	7	COCCn1nc(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)ccc1=O
178305757	ZINC000019510501	low	6.12	-95.43	2	216.288	1.979	2	1	3	Cc1cc2[nH+]cn(CCC(N)=[NH2+])c2cc1C
349534276	ZINC000594967447	high	5.26	-15.85	0	287.375	2.744	1	2	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(F)cc2F)C1
210257344	ZINC000265964545	high	4.22	-9.07	0	370.453	0.719	1	6	7	COCCn1nc(C(=O)NCC2(N(C)C)Cc3ccccc3C2)ccc1=O
365631097	ZINC000122662756	mid	5.92	-9.74	0	288.391	2.304	0	3	6	C=CCOc1ccccc1CN1CCC[C@@H]1C(=O)N(C)C
365631105	ZINC000122757983	ref	7.07	-6.65	0	254.337	2.471	1	4	3	CCNc1cc(N2CCc3ccccc3C2)ncn1
365631119	ZINC000122757983	low	7.55	-33.77	1	254.337	2.471	1	3	3	CCNc1cc(N2CCc3ccccc3C2)nc[nH+]1
365631125	ZINC000122757983	low	7.53	-29.87	1	254.337	2.471	1	3	3	CCNc1cc(N2CCc3ccccc3C2)[nH+]cn1
230723695	ZINC000425411114	ref	3.69	-20.24	0	304.456	2.079	2	3	7	CC[C@H]1CCCC[C@H]1NC(=O)NCCCCS(C)(=O)=O
365631132	ZINC000122711257	ref	10.1	-173.57	3	281.488	2.427	3	0	5	CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1
365631145	ZINC000122711257	mid	10.27	-173.76	3	281.488	2.427	3	0	5	CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1
365631150	ZINC000122711257	mid	8.29	-99.32	2	281.488	2.427	2	1	5	CCC[NH+]1CCC(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)CC1
365631160	ZINC000122782837	ref	8.63	-40.88	1	294.439	2.423	1	2	2	O=C([C@@H]1CCCCO1)N1CCC[C@H]([NH+]2CCCCCC2)C1
365631172	ZINC000122672784	ref	4.49	-18.97	0	298.293	2.491	1	4	6	C[C@H](CC#N)N(C)C(=O)Nc1cccnc1OCC(F)F
342087669	ZINC000048400708	low	6.45	-50.58	1	295.339	1.339	2	5	5	COC(=O)C[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(C)no1
282121803	ZINC000449151545	mid	5.03	-11.77	0	283.375	2.137	2	3	5	Cc1ccccc1[C@@H](N)C(=O)N[C@H](C)Cc1ccncc1
282121810	ZINC000449152192	ref	7.24	-111.25	2	290.451	2.442	3	1	7	C[C@H](O)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1
282121814	ZINC000449152192	mid	5.28	-40.64	1	290.451	2.442	2	2	7	C[C@H](O)CC[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1
342087670	ZINC000625366532	ref	7.4	-42.74	1	296.802	1.774	1	3	2	Cn1cc(Cl)c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)n1
282121818	ZINC000449151616	ref	4.25	-41.01	1	255.402	2.332	2	2	6	CC[C@@H]([NH2+]C[C@@H](O)C1CCOCC1)C1CCCC1
342087671	ZINC000625366532	high	5.21	-11.35	0	296.802	1.774	0	4	2	Cn1cc(Cl)c(C(=O)N2CC[C@H](N3CCCCC3)C2)n1
282121824	ZINC000449151532	ref	5.49	-40.02	1	270.417	2.036	1	2	6	CCC[NH2+][C@H](C)C(=O)N(C)[C@@H]1C[C@](C)(OC)C1(C)C
282121829	ZINC000449152110	ref	6.14	-38.93	1	292.427	2.487	2	2	4	C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1c1cn[nH]c1
214182524	ZINC000053439266	ref	8.36	-34.85	1	345.35	4.111	2	2	6	C[C@H]1CCCC[C@@H]1[N@H+](C)CCNCc1cc(Br)cs1
230723727	ZINC000425409824	ref	4.87	-10.61	0	304.39	2.264	2	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1ccccc1C
365631183	ZINC000122752504	ref	6.78	-52.4	1	291.351	2.172	2	3	4	C[C@H]1CC[N@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C
187168663	ZINC000125089636	ref	8.36	-38.57	1	283.368	2.378	1	4	9	COCC[N@H+](CCC(=O)OC(C)C)Cc1ccc(C)o1
342594543	ZINC000616961978	ref	2.64	-17.98	0	270.691	1.406	2	2	2	Cc1cc(C(=O)N[C@H]2CCNC2=O)c(Cl)cc1F
342594544	ZINC000616962070	ref	4.27	-19.92	0	278.327	1.399	2	2	5	C[C@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCNC1=O
187168664	ZINC000125089636	mid	8.38	-38.4	1	283.368	2.378	1	4	9	COCC[N@@H+](CCC(=O)OC(C)C)Cc1ccc(C)o1
365631114	ZINC000617414395	ref	4.59	-48.88	1	254.252	0.776	2	2	4	C[N@@H+]1CCC[C@H](NC(=O)COCC(F)(F)F)C1
230723694	ZINC000450368105	ref	3.02	-14.14	0	315.479	1.981	2	3	4	CC(C)(C)CCC1(O)CC(C(=O)NC2CCS(=O)CC2)C1
187168665	ZINC000125089636	mid	6.36	-8.11	0	283.368	2.378	0	5	9	COCCN(CCC(=O)OC(C)C)Cc1ccc(C)o1
365631117	ZINC000617414395	mid	5.13	-51.83	1	254.252	0.776	2	2	4	C[N@H+]1CCC[C@H](NC(=O)COCC(F)(F)F)C1
365631123	ZINC000617414395	high	2.24	-14.86	0	254.252	0.776	1	3	4	CN1CCC[C@H](NC(=O)COCC(F)(F)F)C1
187168666	ZINC000125083692	ref	4.64	-8.61	0	292.379	2.37	2	3	5	COc1cc(C)ccc1CNC(=O)N[C@H](C)[C@H]1CCCO1
365631129	ZINC000617411562	ref	4.25	-44.83	1	255.362	0.358	3	2	4	CC(=O)N[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C
365631135	ZINC000617411562	mid	3.74	-43.89	1	255.362	0.358	3	2	4	CC(=O)N[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)C(C)C
365631139	ZINC000617411562	mid	1.37	-8.1	0	255.362	0.358	2	3	4	CC(=O)N[C@H](C(=O)N[C@H]1CCCN(C)C1)C(C)C
365631147	ZINC000617413578	ref	2.5	-10.81	0	278.356	0.43	1	5	3	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCCN(C)C1
365631153	ZINC000617413578	mid	5.38	-46.27	1	278.356	0.43	2	4	3	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC[N@H+](C)C1
187168667	ZINC000125090274	ref	8.77	-11.94	0	291.416	3.262	1	3	7	C[C@H](CC(=O)c1cccs1)NC(=O)C(C1CC1)C1CC1
365631158	ZINC000617413578	mid	4.87	-46.18	1	278.356	0.43	2	4	3	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H]1CCC[N@@H+](C)C1
187168668	ZINC000125086211	ref	4.08	-5.26	0	264.35	2.159	2	3	3	O=C(NC[C@@H]1CC=CCC1)C(=O)Nc1ccsc1
290622278	ZINC000492521019	ref	5.68	-10.23	0	260.337	2.362	0	3	3	COc1cncc(/C=C/C(=O)N2CCC(C)(C)C2)c1
342594545	ZINC000616961506	ref	3.17	-16.25	0	264.35	1.165	2	3	3	Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCNC1=O
187168669	ZINC000125086822	ref	8.06	-9.21	0	263.385	2.391	0	3	4	CC[C@H]1CCCN(C(=O)CCc2ccnn2C)CC1
342594546	ZINC000616961444	ref	2.98	-15.67	0	252.358	1.598	2	2	3	CC1(C)CCCC[C@H]1CC(=O)N[C@@H]1CCNC1=O
365631166	ZINC000617413599	ref	5.3	-45.71	1	289.379	0.556	3	2	5	C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1
342087672	ZINC000622702151	ref	3.22	-18.09	0	284.718	1.274	2	2	4	O=C(Cc1cccc(Cl)c1F)NC[C@@H]1CNC(=O)C1
214182525	ZINC000293555699	low	3.77	-53.37	1	359.473	0.504	2	6	6	COC(=O)c1cc(S(=O)(=O)NCC[NH+]2CCSCC2)cnc1C
214182529	ZINC000293549569	ref	2.96	-17.56	0	358.391	0.82	1	5	3	COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)c(C)cc1F
214182533	ZINC000293546209	ref	2.56	-13.8	0	354.359	0.337	2	7	8	CCOc1ccc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)cc1OC
214182538	ZINC000293552189	ref	4.7	-10.18	0	374.441	0.884	2	6	6	COCC1(CNC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CCOCC1
214182543	ZINC000293547367	ref	2.2	-20.62	0	374.485	0.827	3	4	7	CNC(=O)[C@H](NC(=O)CN1CCCNC(=O)[C@H]1CC(C)C)c1ccccc1
342088645	ZINC000609047016	mid	6.84	-37.53	1	265.401	1.867	1	3	6	N#CCCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1
342088646	ZINC000609047016	mid	6.74	-39.04	1	265.401	1.867	1	3	6	N#CCCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1
214182553	ZINC000293547367	low	4.3	-43.5	1	374.485	0.827	4	3	7	CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1CC(C)C)c1ccccc1
214182555	ZINC000293547367	low	4.03	-43.78	1	374.485	0.827	4	3	7	CNC(=O)[C@H](NC(=O)C[N@H+]1CCCNC(=O)[C@H]1CC(C)C)c1ccccc1
214182557	ZINC000293541353	ref	-0.64	-31.33	0	357.388	0.134	3	6	6	CNC(=O)NCCC(=O)Nc1cc(C(=O)OC)cc(S(C)(=O)=O)c1
214182561	ZINC000293555529	ref	3.11	-52.25	1	358.442	0.986	4	3	6	CC1(C)C(=O)Nc2cc(C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)ccc21
214182565	ZINC000293555529	mid	2.65	-56.64	1	358.442	0.986	4	3	6	CC1(C)C(=O)Nc2cc(C(=O)NCCC[N@H+]3CCC[C@H]3C(N)=O)ccc21
214182569	ZINC000293555529	mid	0.71	-20.23	0	358.442	0.986	3	4	6	CC1(C)C(=O)Nc2cc(C(=O)NCCCN3CCC[C@H]3C(N)=O)ccc21
282121809	ZINC000368857470	ref	8.09	-33.3	1	295.423	2.513	1	3	6	CCC(CC)(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)C(=O)OC
230723720	ZINC000414271348	ref	8.4	-46.96	1	305.466	3.302	1	3	5	CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
214182575	ZINC000293543839	ref	3.64	-10.19	0	350.371	0.805	1	6	5	COCc1cc(NC(=O)C(=O)N(C)[C@@H]2CCOC2)cc(C(=O)OC)c1
306234631	ZINC000557913669	low	5.67	-66.71	1	327.363	1.684	2	5	7	OC[C@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccc(F)cc1
349534277	ZINC000602429439	ref	8.03	-42.96	1	238.331	2.044	1	3	6	CCC[N@H+](CC)Cc1ccc(C(=O)OC)n1C
168364632	ZINC000368496975	mid	8.57	-11.79	0	327.476	3.29	1	5	5	Cn1cc(CNCc2cnc3n2CCCC3)c(C2CCCCC2)n1
342087673	ZINC000600314663	ref	4.73	-15.21	0	269.288	1.673	0	3	3	O=C(CSCC(F)(F)F)N1CC2(CCCO2)C1
342087674	ZINC000600314222	ref	6.39	-40.19	1	251.374	1.774	2	2	4	CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
306234632	ZINC000557899669	ref	4.47	-22.94	0	327.406	1.208	2	5	5	C[C@@H](C(=O)Nc1nc(C2CC2)c[nH]1)S(=O)(=O)C1CCOCC1
342087675	ZINC000600314222	mid	6.58	-40.86	1	251.374	1.774	2	2	4	CC[C@@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342087676	ZINC000600313981	ref	6.04	-17.31	0	281.352	1.357	0	4	2	COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC3(CCCO3)C2)C1
219047796	ZINC000097680018	ref	5.9	-39.17	1	329.488	2.487	1	3	5	c1ccc(OC2CCCC2)c(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1
219047798	ZINC000097680018	mid	8.2	-87.55	2	329.488	2.487	2	2	5	c1ccc(OC2CCCC2)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1
219047801	ZINC000097681646	ref	8.53	-12.51	0	338.314	2.679	0	5	6	C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1
299072139	ZINC000358088144	ref	8.69	-90.17	2	308.47	1.761	3	1	3	CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C[C@H]1C
299072146	ZINC000358088144	mid	9.07	-93.37	2	308.47	1.761	3	1	3	CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C[C@H]1C
214182527	ZINC000053439266	mid	8.38	-35.0	1	345.35	4.111	2	2	6	C[C@H]1CCCC[C@@H]1[N@@H+](C)CCNCc1cc(Br)cs1
398248082	ZINC000651457422	ref	6.62	-4.3	0	274.286	3.327	1	3	6	C[C@@H](COCC1CC1)Nc1cc(C(F)(F)F)ccn1
365631124	ZINC000336548489	ref	3.13	-15.17	0	282.34	2.172	0	4	1	C[C@H]1CN(c2nc3c(F)cccc3o2)CC[S@](=O)C1
398248084	ZINC000651457422	low	7.09	-32.75	1	274.286	3.327	1	2	6	C[C@@H](COCC1CC1)Nc1cc(C(F)(F)F)cc[nH+]1
398248086	ZINC000651457848	ref	7.74	-6.95	0	291.42	3.481	1	5	7	CCc1nc(N[C@H](C)COCC2CC2)c2ccsc2n1
342087677	ZINC000621362442	ref	6.28	-33.27	1	296.455	1.83	2	2	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](CO)C2)C1
342087678	ZINC000621362442	mid	6.19	-34.57	1	296.455	1.83	2	2	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](CO)C2)C1
342087679	ZINC000621362442	high	4.18	-8.82	0	296.455	1.83	1	3	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CC[C@@H](C)[C@H](CO)C2)C1
342087680	ZINC000046788723	ref	3.75	-18.84	0	274.32	1.628	1	4	7	COCCOCCNC(=O)c1cccc2cccnc12
342087681	ZINC000625368309	ref	7.24	-11.08	0	250.346	1.47	0	5	5	CCO[C@H](CN1CCn2cnnc2[C@@H]1C)C1CC1
342087682	ZINC000625368309	low	8.35	-46.93	1	250.346	1.47	1	4	5	CCO[C@H](C[N@@H+]1CCn2cnnc2[C@@H]1C)C1CC1
398248088	ZINC000651458066	ref	7.85	-9.05	0	274.339	3.023	1	3	6	C[C@@H](COCC1CC1)Nc1ccc2ccc(F)cc2n1
398248083	ZINC000649442561	ref	4.6	-7.69	0	245.282	1.882	0	5	2	Cc1oncc1-c1ccnc(N2CCOCC2)c1
214182535	ZINC000053443788	ref	8.53	-35.17	0	333.348	2.038	1	7	5	Cn1nc(C(C)(C)C)cc1NC(=O)COc1cccnc1[N+](=O)[O-]
210257349	ZINC000265965346	ref	8.51	-30.08	0	365.397	0.926	1	7	4	Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-n4cnnc4)cc3)C2=O)cn1
210257352	ZINC000265967190	ref	3.66	-13.3	0	364.421	0.988	3	4	7	O=C(NCCNC(=O)C1CC1)NCc1cc(F)ccc1N1CCOCC1
197590997	ZINC000290088315	ref	2.86	-12.28	0	297.42	1.728	2	3	7	CC(C)CS(=O)(=O)NC[C@]1(CO)C[C@H]1c1ccccc1
187168670	ZINC000125079877	ref	7.26	-12.15	0	276.384	2.803	1	3	3	CC(C)Cn1cc(NC(=O)N2C[C@H]3CCC[C@H]3C2)cn1
210257362	ZINC000265968656	ref	0.49	-25.28	0	351.384	0.235	2	6	4	Cc1ccc([C@H](O)CNC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)o1
210257367	ZINC000265968177	ref	1.61	-22.2	0	372.447	0.943	3	8	8	COC(=O)CCCc1nnc(NC(=O)NC[C@@H](O)C2CCOCC2)s1
210257372	ZINC000265964263	ref	2.79	-12.41	0	352.391	0.519	3	6	5	Cn1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(=O)[nH]c1=O
210257378	ZINC000265964263	high	0.97	-43.62	-1	352.391	0.519	2	6	5	Cn1cc(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)c(=O)[n-]c1=O
187168671	ZINC000125080855	ref	3.9	-35.49	1	278.352	1.298	2	3	7	C[C@H](c1ccccc1)[N@H+](CCC1OCCO1)CC(N)=O
210257382	ZINC000265965333	ref	0.89	-23.69	0	359.4	0.064	1	7	11	COc1ccc(C=O)c(OCC(=O)NCCOCCS(C)(=O)=O)c1
210257388	ZINC000265965281	ref	2.12	-46.38	1	363.439	0.756	3	4	5	C[NH+](C)C1(CNC(=O)c2ccc(S(N)(=O)=O)o2)Cc2ccccc2C1
210257391	ZINC000265969232	ref	2.96	-14.1	0	351.428	0.997	2	4	4	Cc1ccc(NC(=O)C(=O)N2CCCC2)cc1S(=O)(=O)NC1CC1
210257397	ZINC000265962731	ref	2.56	-23.11	0	366.399	0.746	2	8	8	COCCNC(=O)Cn1cc(NC(=O)c2ccc(C(=O)OC)s2)cn1
210257403	ZINC000265969667	ref	2.17	-23.19	0	355.46	0.881	2	4	7	COc1cc(CCNC(=O)NCCN2CCCS2(=O)=O)ccc1C
342087683	ZINC000625368309	low	8.7	-48.13	1	250.346	1.47	1	4	5	CCO[C@H](C[N@H+]1CCn2cnnc2[C@@H]1C)C1CC1
210257413	ZINC000265965334	ref	2.22	-15.26	0	351.432	0.865	1	6	5	Cc1c(C(=O)N[C@@H](C)c2cccc(S(=O)(=O)N(C)C)c2)nnn1C
365631126	ZINC000274348250	high	3.52	-29.26	1	263.385	1.937	0	3	5	CC[C@H]1CN(c2cc[nH+]c(C)c2)CCN1CCOC
210256167	ZINC000428366833	high	0.4	-47.88	-1	329.346	0.829	1	6	7	COC(=O)c1sccc1S(=O)(=O)[N-][C@@H](CO)CC(F)F
349534279	ZINC000602429439	mid	8.18	-43.23	1	238.331	2.044	1	3	6	CCC[N@@H+](CC)Cc1ccc(C(=O)OC)n1C
349534280	ZINC000602429439	high	6.0	-6.4	0	238.331	2.044	0	4	6	CCCN(CC)Cc1ccc(C(=O)OC)n1C
187168672	ZINC000125080855	mid	3.93	-38.24	1	278.352	1.298	2	3	7	C[C@H](c1ccccc1)[N@@H+](CCC1OCCO1)CC(N)=O
365631127	ZINC000354699380	mid	0.51	-8.59	0	257.378	1.324	3	2	6	CC(C)(C)OCCCC[N@H+]1CC[C@H](NC(N)=O)C1
365631136	ZINC000354699380	high	0.51	-8.59	0	257.378	1.324	2	3	6	CC(C)(C)OCCCCN1CC[C@H](NC(N)=O)C1
282121811	ZINC000533465321	ref	2.09	-14.23	0	252.318	1.045	2	4	2	C[C@H](O)[C@@H]1CCCN(C(=O)Nc2cnn(C)c2)C1
365631143	ZINC000354699938	ref	1.39	-6.75	0	256.39	1.417	3	2	6	CC(C)(C)[C@H]([NH2+]C[C@@H](O)CC1CCCC1)C(N)=O
230723740	ZINC000450370422	ref	8.21	-13.33	0	323.4	1.858	2	6	6	C[C@@H]1C[C@@H]1c1nnc2ccc(NC[C@H](CO)c3ccccc3)nn12
342594547	ZINC000616962789	ref	3.53	-23.52	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F
365631152	ZINC000354699938	high	1.39	-6.75	0	256.39	1.417	3	3	6	CC(C)(C)[C@H](NC[C@@H](O)CC1CCCC1)C(N)=O
342594548	ZINC000194378109	ref	4.93	-11.97	0	251.33	1.594	1	4	3	CCc1cc(NC(=O)[C@@H]2CCOC[C@H]2C)n(C)n1
342594549	ZINC000626227911	ref	1.53	-15.41	0	282.727	1.899	3	3	3	C[C@H](C(=O)Nc1cc(Cl)ccc1O)[C@H]1CCC(=O)N1
197591004	ZINC000290090032	ref	5.35	-11.16	0	290.392	2.169	1	5	5	CSCc1cccnc1C(=O)N[C@@H](C)c1cnn(C)c1
349534284	ZINC000602428835	ref	3.94	-45.37	1	237.347	1.432	2	2	6	CCC(C#N)(CC)C(=O)NCC[C@@H]1CC[NH2+]C1
349534287	ZINC000602429276	ref	8.39	-40.65	1	241.356	2.767	1	3	6	CCCC[N@H+](C)Cc1cc(C(=O)OC)cs1
187168673	ZINC000125080855	mid	2.18	-9.67	0	278.352	1.298	1	4	7	C[C@H](c1ccccc1)N(CCC1OCCO1)CC(N)=O
187168674	ZINC000125088406	ref	6.87	-12.82	0	294.305	2.591	1	5	5	COc1cc(F)c(NCc2nnc(C3CC3)n2C)cc1F
230723747	ZINC000450370128	ref	5.07	-14.14	0	300.362	1.605	2	5	5	C[C@@H](NC(=O)[C@@H](O)C1CCC1)c1ccc(-n2ccnn2)cc1
342594550	ZINC000626227911	high	2.29	-43.81	-1	282.727	1.899	2	3	3	C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])[C@H]1CCC(=O)N1
365631157	ZINC000354699736	ref	7.09	-44.83	1	298.333	1.862	2	2	6	C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC(F)F
197591006	ZINC000290089017	ref	5.62	-9.93	0	298.346	2.166	0	5	4	Cc1cc(-c2nc([C@@H]3CC(=O)N(CC4CC4)C3)no2)ccn1
342594551	ZINC000626227909	ref	1.22	-16.19	0	282.727	1.899	3	3	3	C[C@@H](C(=O)Nc1cc(Cl)ccc1O)[C@@H]1CCC(=O)N1
365631171	ZINC000354699736	mid	4.66	-10.24	0	298.333	1.862	2	2	6	C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC(F)F
210257418	ZINC000265968226	ref	2.9	-27.27	0	355.42	0.824	3	7	6	COC(=O)CCCc1nnc(NC(=O)N[C@H]2CCCCNC2=O)s1
210257427	ZINC000265966747	ref	0.57	-21.22	0	371.459	0.471	4	6	10	COc1cc(CNC(=O)N[C@@H](C)[C@H](CO)SC)ccc1OCC(N)=O
365631131	ZINC000336549023	ref	1.34	-55.83	-1	280.305	2.039	1	4	4	CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccco2)cc1
365631137	ZINC000336548355	ref	5.25	-18.05	0	292.404	2.184	1	2	3	C[C@H]1c2ccccc2CN1C(=O)NCC1([S@](C)=O)CC1
210257432	ZINC000265969947	ref	4.11	-17.15	0	366.439	0.836	0	5	3	C[C@@H]1Oc2ccccc2N(CCC(=O)N2CCS(=O)(=O)C[C@@H]2C)C1=O
282121815	ZINC000533465438	ref	2.9	-17.13	0	279.34	1.01	2	4	2	C[C@H](O)[C@H]1CCCN(C(=O)Nc2ccc(=O)n(C)c2)C1
349534281	ZINC000594966900	ref	6.45	-9.99	0	268.364	2.923	2	3	4	Cc1nc(CNC(C)(C)c2cccc(C#N)c2)[nH]c1C
343993608	ZINC000079911553	ref	7.56	-8.27	0	286.375	2.128	1	2	5	CCC[C@@H]1C[C@H]1C(=O)NCC(=O)N1CCc2ccccc21
342087684	ZINC000210356518	ref	8.3	-13.8	0	265.221	1.457	0	6	3	O=C(O[C@H]1CCCOC1=O)c1ccc([N+](=O)[O-])cc1
343993613	ZINC000079916379	ref	7.86	-14.11	0	292.427	2.251	0	5	6	C[C@@H]1CCCC[C@@H]1OCCN(C)Cc1nnc2n1CCC2
349534283	ZINC000594966900	mid	7.54	-48.29	1	268.364	2.923	2	2	4	Cc1nc(C[NH2+]C(C)(C)c2cccc(C#N)c2)[nH]c1C
349534286	ZINC000594967634	ref	6.87	-51.59	1	272.251	2.862	1	3	8	C=CCC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F
349534289	ZINC000594967634	high	5.5	-6.89	0	272.251	2.862	1	4	8	C=CCCNCc1cc([N+](=O)[O-])ccc1OC(F)F
342087685	ZINC000600314505	ref	5.21	-14.1	0	294.286	1.23	1	6	5	COC(=O)c1ccc(C(=O)Nc2cnn(CCF)c2)n1C
190493185	ZINC000269424651	ref	4.11	-9.79	0	251.301	2.33	2	2	6	C=CCCC(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1
190493186	ZINC000269424168	ref	4.48	-12.94	0	279.292	0.84	2	5	7	O=C(COc1ccccc1O)NCC(=O)OCC1CC1
342087686	ZINC000600313984	ref	5.8	-10.55	0	281.352	1.357	0	4	2	COC(=O)[C@@H]1CCC[C@@H](C(=O)N2CC3(CCCO3)C2)C1
342087687	ZINC000618611525	ref	3.31	-9.05	0	262.3	1.31	2	2	4	CC(C)(C)C(=O)NCC(=O)NC[C@]1(C)CC1(F)F
212164625	ZINC000335488461	ref	5.82	-16.28	0	268.263	2.183	1	2	3	CN1C(=O)CC[C@@H]1C(=O)Nc1ccccc1C(F)F
212164629	ZINC000335489228	ref	6.38	-7.23	0	280.393	2.401	0	4	2	Cc1nc(C(=O)N2CCO[C@H](C3CCC3)C2)c(C)s1
212164632	ZINC000335489064	ref	6.59	-7.85	0	262.353	2.32	0	3	2	CC(C)n1cccc1C(=O)N1CC[C@@H]2OCC[C@@H]2C1
212164635	ZINC000335488990	ref	5.94	-8.62	0	278.4	2.492	0	4	2	Cn1nncc1C(=O)N1CC[C@H](CC(C)(C)C)C1(C)C
342087688	ZINC000600314246	ref	6.58	-9.26	0	255.339	1.998	0	4	3	COC(=O)[C@H](C)N(C)C(=O)c1cc(C)sc1C
342087689	ZINC000622702259	ref	3.78	-11.62	0	264.354	1.609	1	5	6	CCn1ccc(CNC(=O)CCc2nccs2)n1
214182546	ZINC000278480359	ref	4.7	-13.63	0	320.443	2.832	1	6	4	O=C(Nc1nnc(-c2ccsc2)s1)[C@@H]1CCCN1C1CC1
282121816	ZINC000151628682	ref	3.2	-10.56	0	315.2	2.167	1	3	2	NC(=O)[C@@H]1CN([C@@H]2CCc3c(Cl)cc(Cl)cc32)CCO1
187168676	ZINC000125086806	ref	4.75	-8.99	0	297.815	2.9	2	6	5	CNc1c(Cl)ncnc1NCCc1nc(C)c(C)s1
342087690	ZINC000622702268	ref	3.18	-13.46	0	252.358	1.455	2	2	4	CC(C)(C(=O)NC[C@@H]1CNC(=O)C1)C1CCCC1
342087691	ZINC000600313982	ref	5.93	-17.64	0	281.352	1.357	0	4	2	COC(=O)[C@@H]1CCC[C@H](C(=O)N2CC3(CCCO3)C2)C1
342594552	ZINC000626227909	high	1.99	-46.05	-1	282.727	1.899	2	3	3	C[C@@H](C(=O)Nc1cc(Cl)ccc1[O-])[C@@H]1CCC(=O)N1
214182547	ZINC000278480359	low	6.98	-44.69	1	320.443	2.832	2	5	4	O=C(Nc1nnc(-c2ccsc2)s1)[C@@H]1CCC[N@@H+]1C1CC1
197591005	ZINC000162785275	ref	5.55	-38.63	1	321.421	3.197	2	3	7	CCCC[C@@H](C[NH3+])NC(=O)c1csc(-c2ccc(F)cc2)n1
214182548	ZINC000278480359	low	7.62	-41.52	1	320.443	2.832	2	5	4	O=C(Nc1nnc(-c2ccsc2)s1)[C@@H]1CCC[N@H+]1C1CC1
214182549	ZINC000278481517	ref	4.82	-14.55	0	317.426	2.479	0	4	8	CCOc1ccc(CN(C)[C@H](C)CS(=O)(=O)CC)cc1F
214182551	ZINC000278481517	low	6.42	-49.92	1	317.426	2.479	1	3	8	CCOc1ccc(C[N@H+](C)[C@H](C)CS(=O)(=O)CC)cc1F
214182552	ZINC000278481517	low	6.43	-47.19	1	317.426	2.479	1	3	8	CCOc1ccc(C[N@@H+](C)[C@H](C)CS(=O)(=O)CC)cc1F
214182554	ZINC000278480332	ref	3.16	-12.64	0	308.382	2.491	1	7	8	CC[C@@H](O)c1nccn1Cc1nc([C@@H](C)OCC(C)C)no1
214182556	ZINC000278480928	ref	3.78	-8.18	0	301.394	1.204	2	5	6	C[C@H](CN[C@H](c1ccccc1)c1nc[nH]n1)N1CCOCC1
214182558	ZINC000278480928	mid	4.04	-11.15	0	301.394	1.204	2	5	6	C[C@H](CN[C@H](c1ccccc1)c1nnc[nH]1)N1CCOCC1
214182559	ZINC000278480928	low	5.51	-42.76	1	301.394	1.204	2	4	6	C[C@H](C[NH2+][C@H](c1ccccc1)c1nnc[nH]1)N1CCOCC1
214182563	ZINC000278480536	ref	9.63	-15.64	0	311.393	1.964	0	7	3	CCn1cnnc1C1CCN(c2ccnc3c2cnn3C)CC1
230236057	ZINC000336807968	low	2.15	-34.19	1	270.337	-1.084	4	7	8	CC(C)[N@H+](CCOCCO)Cc1nc(N)nc(N)n1
230236062	ZINC000336807968	low	3.27	-33.18	1	270.337	-1.084	4	7	8	CC(C)[N@@H+](CCOCCO)Cc1nc(N)nc(N)n1
230236067	ZINC000334256223	ref	-0.36	-15.92	0	283.332	-1.068	3	3	3	CNC(=O)NC1CN(C(=O)NCC(=O)N2CCCC2)C1
365631133	ZINC000274344478	ref	6.94	-46.52	1	267.402	1.599	2	5	5	CC/C=C/CC[NH+]1CCN(c2nc(N)ns2)CC1
178299641	ZINC000082794960	ref	8.91	-49.07	-1	267.259	3.739	0	3	2	O=C([O-])c1ccc(-c2ccc(F)c3ccncc23)cc1
365631141	ZINC000274344478	mid	4.53	-5.48	0	267.402	1.599	1	6	5	CC/C=C/CCN1CCN(c2nc(N)ns2)CC1
365631148	ZINC000274348745	ref	4.63	-7.27	0	262.313	1.062	1	4	2	CC(C)[C@@H]1CCCN1C(=O)C(=O)Nc1cncnc1
230723745	ZINC000414271037	ref	8.58	-15.01	0	309.475	3.218	0	2	6	CCN(Cc1ccccc1)C(=O)[C@@H](C)[S@@](=O)CC(C)(C)C
365631154	ZINC000274347906	ref	3.39	-14.6	0	264.329	1.358	2	4	5	CC(C)(C)C(=O)NCCCC(=O)Nc1cncnc1
365631162	ZINC000274348655	ref	3.61	-14.86	0	270.691	1.297	1	2	2	CNC(=O)C1CN(C(=O)c2cccc(F)c2Cl)C1
178299643	ZINC000082794962	ref	8.93	-48.59	-1	267.259	3.739	0	3	2	O=C([O-])c1cccc(-c2ccc(F)c3ccncc23)c1
342087692	ZINC000600314350	ref	5.75	-29.91	0	292.291	1.608	0	5	3	COc1cccc(C(=O)N2CC3(CCCO3)C2)c1[N+](=O)[O-]
282121819	ZINC000533467343	ref	3.77	-13.18	0	291.38	1.716	2	5	4	O=C(NCc1nccs1)NC[C@H]1CCCn2ccnc21
282121823	ZINC000533467343	low	4.4	-34.53	1	291.38	1.716	2	4	4	O=C(NCc1nccs1)NC[C@H]1CCCn2cc[nH+]c21
365631167	ZINC000274348380	ref	0.73	-9.56	0	298.408	1.488	3	4	5	Nc1ccccc1S(=O)(=O)NC[C@H](O)C1CCCCC1
343993616	ZINC000248506344	mid	5.53	-41.42	1	297.443	1.663	3	2	5	CC[C@@H]1CN(C(=O)NCC2(C)CCC2)CC[N@H+]1C[C@H](C)O
230723766	ZINC000414270866	ref	5.59	-14.87	0	324.368	3.392	0	4	5	CCCc1nc(C[S@](=O)C2CCC(C(F)(F)F)CC2)no1
365631176	ZINC000274348253	ref	6.0	-81.21	2	263.385	1.937	1	2	5	CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@@H+]1CCOC
342087693	ZINC000600313997	ref	5.99	-19.5	0	256.305	1.758	0	3	2	N#CCc1cccc(C(=O)N2CC3(CCCO3)C2)c1
342087694	ZINC000621361726	ref	5.36	-36.05	1	268.401	1.195	2	2	3	C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)C1
342087695	ZINC000621361726	mid	4.9	-33.2	1	268.401	1.195	2	2	3	C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)[C@H](CO)C2)C1
365631179	ZINC000274348253	mid	6.09	-80.42	2	263.385	1.937	1	2	5	CC[C@@H]1CN(c2cc[nH+]c(C)c2)CC[N@H+]1CCOC
365631185	ZINC000274348253	high	3.91	-29.53	1	263.385	1.937	0	3	5	CC[C@@H]1CN(c2cc[nH+]c(C)c2)CCN1CCOC
365631191	ZINC000274345963	ref	2.52	-8.64	0	284.381	1.457	1	4	3	CC[C@@H]1CN(S(=O)(=O)c2ccccc2N)C[C@@H](C)O1
365631197	ZINC000274344427	ref	2.87	-11.83	0	295.404	1.605	2	3	6	CCc1ccc(CS(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc1
342594553	ZINC000616961555	ref	2.6	-18.73	0	276.336	1.193	2	3	5	CC[C@H](C(=O)N[C@H]1CCNC1=O)c1ccc(OC)cc1
342594554	ZINC000616961601	ref	3.42	-19.67	0	282.29	1.463	2	2	4	C[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1F
365631140	ZINC000625061517	ref	4.87	-15.76	0	322.43	2.13	2	4	2	Cc1cccc(O)c1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
365631142	ZINC000625061517	high	5.63	-67.35	-1	322.43	2.13	1	4	2	Cc1cccc([O-])c1C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
365631149	ZINC000625061809	ref	5.21	-10.24	0	320.418	2.078	0	5	4	CC[C@]1(C)CCN(S(=O)(=O)c2cnnn2-c2ccccc2)C1
365631155	ZINC000625061515	ref	4.66	-13.32	0	322.43	2.13	2	4	2	Cc1cccc(O)c1C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C
365631161	ZINC000625061515	high	5.42	-56.21	-1	322.43	2.13	1	4	2	Cc1cccc([O-])c1C(=O)N1CSC[C@@H]1C(=O)NC(C)(C)C
365631165	ZINC000625059372	ref	6.5	-8.51	0	320.437	2.197	0	6	4	CC(C)Cn1c([C@H]2CCCOC2)nnc1N1CC2(CCCO2)C1
365631169	ZINC000625062591	ref	1.73	-8.21	0	323.433	2.11	3	4	8	COc1cc(C)c(C[N@H+](C)C[C@@H](O)CC2(O)CCC2)cc1OC
365631174	ZINC000625062591	mid	4.08	-42.62	1	323.433	2.11	3	4	8	COc1cc(C)c(C[N@@H+](C)C[C@@H](O)CC2(O)CCC2)cc1OC
365631180	ZINC000625062591	high	1.73	-8.21	0	323.433	2.11	2	5	8	COc1cc(C)c(CN(C)C[C@@H](O)CC2(O)CCC2)cc1OC
342594555	ZINC000616961507	ref	3.15	-17.13	0	264.35	1.165	2	3	3	Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H]1CCNC1=O
365631187	ZINC000625059097	ref	6.28	-15.02	0	310.344	2.228	1	2	5	CCN(Cc1c(F)cccc1F)C(=O)[C@H](C)[C@H]1CCC(=O)N1
365631194	ZINC000625059149	ref	8.16	-9.21	0	322.453	2.432	0	6	6	CC(C)Cn1c(N(C)CC2(C)COC2)nnc1[C@@]1(C)CCCO1
365631200	ZINC000625059096	ref	6.47	-15.58	0	310.344	2.228	1	2	5	CCN(Cc1c(F)cccc1F)C(=O)[C@@H](C)[C@H]1CCC(=O)N1
365631209	ZINC000625061712	ref	7.11	-9.42	0	318.417	2.463	0	3	1	C[C@H]1CN(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)C[C@@H](C)O1
365631214	ZINC000625060129	ref	3.8	-11.16	0	319.373	2.367	1	3	5	Cc1ccc(S(=O)(=O)N[C@H](C)C[C@@H]2CCOC2)c(F)c1F
365631219	ZINC000625060129	high	4.13	-43.84	-1	319.373	2.367	0	3	5	Cc1ccc(S(=O)(=O)[N-][C@H](C)C[C@@H]2CCOC2)c(F)c1F
197591014	ZINC000290091153	ref	4.23	-46.08	1	299.374	1.945	3	2	4	CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cc(=O)[nH]c2ccccc12
342594556	ZINC000616961637	ref	2.83	-18.43	0	288.347	1.199	2	3	3	O=C(N[C@@H]1CCNC1=O)c1ccc([C@@H]2CCCOC2)cc1
342594557	ZINC000616961532	ref	4.99	-17.13	0	274.364	1.65	2	2	6	C[C@H](CCCc1ccccc1)C(=O)N[C@H]1CCNC1=O
178299642	ZINC000002537052	ref	4.65	-8.13	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C)N2
178299650	ZINC000057330140	ref	7.91	-7.27	0	241.254	1.47	2	5	2	Cc1cc2n[nH]c(=O)n2c(Nc2ccccc2)n1
210257436	ZINC000265968636	ref	-0.33	-20.76	0	363.395	0.476	3	6	5	Cc1ccc([C@@H](O)CNC(=O)CNC2=NS(=O)(=O)c3ccccc32)o1
178299655	ZINC000000043834	ref	4.34	-9.65	0	238.29	3.694	1	3	1	Cc1cc2nc(-c3ccc(N)cc3)oc2cc1C
398248085	ZINC000649442327	ref	6.36	-9.18	0	214.268	2.33	0	3	1	Cc1nn(C)cc1-c1cccc2c1OCC2
210257249	ZINC000428392607	mid	1.91	-42.6	-1	341.307	0.907	1	5	7	COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](CO)CC(F)F
210257294	ZINC000019525089	low	5.78	-39.58	1	390.513	1.597	1	6	4	CCn1cc(S(=O)(=O)N2CCc3nc([C@@H]4CCCC[N@H+]4C)ncc3C2)cn1
210257302	ZINC000019523538	ref	9.65	-13.61	0	391.519	3.618	1	5	5	CCc1nccn1C[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1
210257308	ZINC000019523538	mid	10.32	-38.65	1	391.519	3.618	1	4	5	CCc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1
210257313	ZINC000019524426	ref	9.75	-62.39	-1	398.488	3.155	0	5	4	CCn1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)nc2ccccc21
282121821	ZINC000151631556	ref	5.56	-13.79	0	322.792	2.287	2	4	6	Cc1noc(Cl)c1CC(=O)N[C@H](C)[C@H](O)Cc1ccccc1
398248087	ZINC000649442607	ref	2.93	-8.41	0	208.286	1.949	1	4	2	Cc1nn(C)cc1-c1csc(CO)c1
398248089	ZINC000649442302	ref	5.89	-8.55	0	244.338	2.709	1	3	3	Cc1nn(C)cc1-c1ccc(CC(C)(C)O)cc1
178299665	ZINC000012803938	ref	4.52	-6.21	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)(F)F)N2
178299668	ZINC000071256241	ref	5.13	-6.32	0	225.089	2.942	1	1	0	Cc1cc2nc(Br)[nH]c2cc1C
178299670	ZINC000359807192	ref	5.54	-8.18	0	243.335	3.545	2	3	3	Cc1cc2n[nH]cc2cc1NCc1ccsc1
178299672	ZINC000336566579	ref	5.88	-12.31	0	243.31	3.0	2	2	3	Cc1cc2n[nH]cc2cc1NC(=O)CC1(C)CC1
212164981	ZINC000335488701	ref	4.77	-13.69	0	283.372	0.674	1	3	2	CC(C)[C@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CCCO1
178299675	ZINC000336566579	mid	5.78	-10.46	0	243.31	3.0	2	2	3	Cc1cc2[nH]ncc2cc1NC(=O)CC1(C)CC1
398248091	ZINC000649442604	ref	5.7	-7.93	0	202.257	2.404	0	3	2	COc1cccc(-c2cn(C)nc2C)c1
178299679	ZINC000045955614	ref	5.83	-11.4	0	244.229	1.532	1	4	1	Cc1cc2n[nH]c(=O)n2c(-c2ccccc2F)n1
398248093	ZINC000649442480	ref	5.69	-7.82	0	202.257	2.404	0	3	2	COc1ccc(-c2cn(C)nc2C)cc1
365631144	ZINC000336548897	ref	4.87	-22.17	0	278.352	2.304	1	3	2	COc1cc[nH]c(=O)c1C(=O)N1C[C@@H](C)CC(C)(C)C1
219047803	ZINC000286545958	ref	4.22	-11.55	0	307.346	2.317	2	5	5	COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1ccc(O)cc1OC(C)C
365631151	ZINC000336549171	ref	4.97	-11.35	0	274.364	2.438	1	2	2	CC1(C)CCCCN(C(=O)c2ccc(C(N)=O)cc2)C1
342087696	ZINC000621361726	mid	3.2	-11.32	0	268.401	1.195	1	3	3	C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)[C@H](CO)C2)C1
365631159	ZINC000336549237	ref	5.82	-6.01	0	250.317	2.474	0	3	2	Fc1cccnc1N1CCC[C@@H]([C@H]2CCOC2)C1
342087697	ZINC000600314634	ref	5.63	-19.21	0	293.294	1.617	0	4	2	COC(=O)c1ccc(C(=O)N2CC3(CCCO3)C2)c(F)c1
214182540	ZINC000053429340	ref	7.33	-40.7	1	345.35	4.111	1	2	6	CC1CCC([NH2+]CCN(C)Cc2cc(Br)cs2)CC1
219047813	ZINC000286546877	ref	4.8	-10.71	0	310.348	2.133	0	5	4	Cc1nn(C)c2ncc(CN3CCOC[C@@H]3CC(F)F)cc12
214182544	ZINC000053438088	ref	7.4	-101.23	2	328.298	2.422	2	1	9	CN(CC[NH2+]CCC[NH+](C)C)Cc1ccccc1Br
365631164	ZINC000336548557	ref	6.48	-12.88	0	289.375	2.047	0	3	2	COc1cccc2c1CCN(C(=O)[C@H]1CCO[C@H]1C)CC2
365631168	ZINC000336548257	ref	4.11	-10.22	0	282.34	2.164	1	3	4	CC(C)(NS(=O)(=O)c1ccc(C#N)c(F)c1)C1CC1
365631177	ZINC000336548174	ref	7.98	-45.1	1	293.436	2.036	1	3	1	Cc1nc2c(s1)CCC[C@H]2C(=O)N1CCC[N@@H+](C)CC1
214182564	ZINC000053438088	mid	5.11	-39.47	1	328.298	2.422	1	2	9	CN(C)CCC[NH2+]CCN(C)Cc1ccccc1Br
178299647	ZINC000237139433	ref	2.57	-53.34	1	352.21	1.163	2	4	6	C[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)c([N+](=O)[O-])c1
230723770	ZINC000450370419	ref	8.37	-13.45	0	323.4	1.858	2	6	6	C[C@@H]1C[C@H]1c1nnc2ccc(NC[C@H](CO)c3ccccc3)nn12
230723774	ZINC000450369474	ref	8.78	-15.73	0	312.329	1.954	0	5	3	O=C1CN(c2nccc3c([N+](=O)[O-])cccc23)CCN1C1CC1
342087698	ZINC000625368311	ref	6.53	-10.93	0	250.346	1.47	0	5	5	CCO[C@@H](CN1CCn2cnnc2[C@H]1C)C1CC1
219047815	ZINC000286546877	low	6.74	-51.25	1	310.348	2.133	1	4	4	Cc1nn(C)c2ncc(C[N@@H+]3CCOC[C@@H]3CC(F)F)cc12
219047819	ZINC000286546877	low	6.99	-51.43	1	310.348	2.133	1	4	4	Cc1nn(C)c2ncc(C[N@H+]3CCOC[C@@H]3CC(F)F)cc12
219047822	ZINC000286548072	ref	5.97	-8.12	0	312.46	3.119	1	5	3	O=C(Nc1nc(C2CCOCC2)cs1)C1CCSCC1
219047825	ZINC000286546468	ref	4.28	-13.49	0	301.35	0.728	2	4	3	Cn1ccnc1CNC(=O)C(=O)N1CCC[C@H]1c1ccc[nH]1
342087699	ZINC000625368311	low	8.97	-48.64	1	250.346	1.47	1	4	5	CCO[C@@H](C[N@@H+]1CCn2cnnc2[C@H]1C)C1CC1
214182545	ZINC000337615711	high	4.46	-40.07	-1	265.357	2.448	1	2	5	CCCC[C@@H](C)C(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1
214182550	ZINC000337619367	ref	4.31	-20.99	0	290.323	-0.166	1	4	2	Cc1nc(C(=O)N2CCN(C3CC3)C(=O)C2)c(=O)[nH]c1C
214182560	ZINC000337616773	ref	5.93	-7.2	0	254.399	3.178	1	3	5	CCc1nc(C)c(C(=O)N[C@H](C)CC(C)C)s1
197591010	ZINC000162786548	ref	4.14	-11.34	0	310.369	2.149	2	3	4	C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)Oc1ccccc1F
214182562	ZINC000337615973	ref	2.14	-6.61	0	265.269	0.799	2	5	5	Cc1ncc([N+](=O)[O-])cc1C(=O)NC[C@@H](O)C1CC1
214182568	ZINC000337617175	ref	2.71	-8.55	0	271.32	2.032	1	4	4	COc1cc(C(=O)NCc2ccncc2C)cc(C)n1
214182572	ZINC000337616060	ref	2.77	-13.19	0	294.351	2.001	2	4	6	COc1cc(NC(=O)N(CCO)C2CC2)c(C)c(OC)c1
214182576	ZINC000337615641	ref	-0.64	-15.75	0	294.279	0.715	2	4	5	CNS(=O)(=O)c1cc(C(=O)NC2(C(F)F)CC2)co1
365631156	ZINC000623061641	ref	1.19	-52.35	1	316.361	1.081	4	3	3	CC1(CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC[NH2+]CC1
365631163	ZINC000623061641	high	-0.62	-79.27	0	316.361	1.081	3	3	3	CC1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC[NH2+]CC1
214182580	ZINC000337615641	mid	-1.09	-45.12	-1	294.279	0.715	1	4	5	C[N-]S(=O)(=O)c1cc(C(=O)NC2(C(F)F)CC2)co1
214182585	ZINC000337617907	ref	5.45	-22.21	0	294.359	0.451	2	5	5	Cc1cc(N(C)C)nc(NC(=O)NCCC(=O)N(C)C)n1
214182589	ZINC000337617202	ref	2.63	-9.83	0	279.34	0.743	1	5	7	Cc1ncc(C(=O)N(C)CCOCCO)c(C2CC2)n1
365631173	ZINC000623062617	ref	1.57	-65.32	1	311.407	1.434	2	3	2	C[C@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
197591012	ZINC000162779695	ref	6.5	-6.89	0	319.792	2.845	2	3	3	CC[C@@H]1CCC[C@@H]1NC(=O)C(=O)Nc1ccc(C#N)c(Cl)c1
214182593	ZINC000337618604	ref	3.16	-17.77	0	283.372	0.277	2	3	7	CC(=O)N(C)CC(=O)NCCNC(=O)CC1CCCC1
214182599	ZINC000337619404	ref	4.14	-14.9	0	257.334	0.285	1	3	4	CC[C@H](C)OCC(=O)N1CCN(C(=O)NC)CC1
365631184	ZINC000623062955	ref	5.86	-17.55	0	311.333	1.493	0	6	7	CCN(CCC(F)(F)F)C(=O)CCSc1nnnn1C
342594558	ZINC000616961636	ref	2.83	-18.32	0	288.347	1.199	2	3	3	O=C(N[C@@H]1CCNC1=O)c1ccc([C@H]2CCCOC2)cc1
342594559	ZINC000616961523	ref	4.13	-19.44	0	290.363	1.547	2	3	4	CC(C)(C)O[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
214182603	ZINC000337618364	ref	6.39	-8.16	0	289.354	3.238	2	2	5	CCc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)[nH]n1
214182607	ZINC000337616105	ref	1.44	-19.45	0	289.339	0.541	4	3	6	CC(=O)NCCNC(=O)NCCc1c[nH]c2ncccc12
365631170	ZINC000617413599	mid	5.84	-46.72	1	289.379	0.556	3	2	5	C[N@H+]1CCC[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1
365631175	ZINC000617413599	high	2.94	-10.61	0	289.379	0.556	2	3	5	CN1CCC[C@H](NC(=O)CNC(=O)Cc2ccccc2)C1
398248090	ZINC000651457873	ref	7.78	-6.77	0	286.375	3.47	1	4	7	COc1cccc2c(N[C@@H](C)COCC3CC3)nccc12
365631182	ZINC000617415072	ref	6.54	-50.18	1	281.4	0.701	2	2	4	CC(C)CN1C[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC1=O
349534290	ZINC000602429276	mid	8.4	-40.14	1	241.356	2.767	1	3	6	CCCC[N@@H+](C)Cc1cc(C(=O)OC)cs1
365631188	ZINC000617415072	mid	6.01	-47.78	1	281.4	0.701	2	2	4	CC(C)CN1C[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1=O
342594560	ZINC000616962793	ref	2.13	-17.39	0	273.119	1.612	2	2	2	O=C(N[C@H]1CCNC1=O)c1c(Cl)cccc1Cl
187168677	ZINC000125083172	ref	7.28	-89.05	2	298.434	2.591	2	2	4	Cc1cccc2c(N[C@H](C)C[NH+]3CCN(C)CC3)cc[nH+]c12
282121827	ZINC000263093291	ref	8.71	-35.71	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CC[C@H](C)C[C@H]1C)C(=O)[O-]
187168678	ZINC000125083172	low	7.36	-76.46	2	298.434	2.591	2	2	4	Cc1cccc2c(N[C@H](C)CN3CC[NH+](C)CC3)cc[nH+]c12
282121832	ZINC000263030398	ref	8.75	-37.88	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C)C(=O)[O-]
365631190	ZINC000617415072	high	3.65	-11.6	0	281.4	0.701	1	3	4	CC(C)CN1C[C@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O
187168679	ZINC000125083172	high	4.63	-6.29	0	298.434	2.591	1	4	4	Cc1cccc2c(N[C@H](C)CN3CCN(C)CC3)ccnc12
365631198	ZINC000617414629	ref	5.04	-47.07	1	296.4	0.31	2	6	5	C[N@@H+]1CCC[C@H](NC(=O)CSc2nnnn2C2CC2)C1
342594561	ZINC000616962815	ref	3.42	-18.67	0	292.31	1.039	2	3	5	C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@H]1CCNC1=O
365631203	ZINC000617414629	mid	5.58	-48.17	1	296.4	0.31	2	6	5	C[N@H+]1CCC[C@H](NC(=O)CSc2nnnn2C2CC2)C1
282121838	ZINC000494748151	ref	8.95	-43.0	1	307.434	3.332	1	3	9	CCC(CC)(C[NH2+][C@H](C)[C@@H](OC)c1ccccc1)C(=O)OC
365631206	ZINC000617414629	mid	2.69	-11.29	0	296.4	0.31	1	7	5	CN1CCC[C@H](NC(=O)CSc2nnnn2C2CC2)C1
282121843	ZINC000192697981	ref	9.79	-44.94	1	346.471	2.923	1	3	7	CCC(CC)(C[NH2+][C@H](C)C(=O)N1CCCc2ccccc21)C(=O)OC
365631213	ZINC000617414180	ref	3.39	-47.41	1	276.34	0.022	3	3	4	C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1
197591021	ZINC000290090879	ref	1.07	-12.58	0	272.351	1.647	1	5	6	O=S(=O)(NCCCc1nccs1)c1ccoc1
365631220	ZINC000617414180	mid	2.86	-46.25	1	276.34	0.022	3	3	4	C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1
219047812	ZINC000097680943	ref	7.81	-44.75	1	334.464	1.702	2	4	5	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1
214182566	ZINC000278480964	ref	2.11	-15.62	0	306.362	1.226	1	5	7	CC(C)N(CCC(=O)c1ccc2c(c1)OCCO2)CC(N)=O
214182567	ZINC000278480964	mid	3.9	-45.67	1	306.362	1.226	2	4	7	CC(C)[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC(N)=O
342087700	ZINC000625368311	low	8.58	-47.4	1	250.346	1.47	1	4	5	CCO[C@@H](C[N@H+]1CCn2cnnc2[C@H]1C)C1CC1
214182571	ZINC000278480964	mid	3.87	-45.87	1	306.362	1.226	2	4	7	CC(C)[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC(N)=O
219047816	ZINC000097680943	mid	7.93	-45.29	1	334.464	1.702	2	4	5	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1
291674010	ZINC000337857798	ref	7.43	-12.63	0	284.4	2.215	0	3	2	COC(=O)[C@@]1(C)CN(C(=O)N(C)CC(C)(C)C)C[C@H]1C
219047818	ZINC000097680943	high	5.47	-9.75	0	334.464	1.702	1	5	5	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1
349534292	ZINC000594966941	ref	5.56	-53.5	1	299.399	2.744	2	3	5	CC(C)([NH2+]Cc1cc(C(N)=O)cs1)c1cccc(C#N)c1
349534295	ZINC000594966941	mid	4.47	-12.56	0	299.399	2.744	2	4	5	CC(C)(NCc1cc(C(N)=O)cs1)c1cccc(C#N)c1
219047821	ZINC000097681344	ref	8.91	-17.52	0	326.396	2.308	0	4	5	O=C(CCn1ccccc1=O)N1CCC(Oc2ccccc2)CC1
342087701	ZINC000600314352	ref	6.08	-15.1	0	292.291	1.608	0	5	3	COc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCO2)C1
219047824	ZINC000097680691	ref	10.33	-17.12	0	342.361	2.933	0	2	4	CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)CCC(F)(F)F
219047827	ZINC000097682046	ref	8.03	-12.32	0	343.387	1.749	1	6	7	C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCc2ccccc21
219047830	ZINC000097681783	ref	5.62	-12.74	0	335.473	1.639	2	4	6	CN(CCCNC(=O)[C@@H]1CSC(C)(C)C(=O)N1)c1ccccc1
197591020	ZINC000162776489	ref	6.43	-11.09	0	309.391	2.354	0	5	3	O=C(CSc1nncs1)N1CCc2c(F)cccc2C1
219047833	ZINC000097680990	ref	7.78	-47.6	1	348.491	1.802	3	3	6	Cc1nc(C)c(CCC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[nH]1
343993618	ZINC000248506344	mid	3.96	-8.76	0	297.443	1.663	2	3	5	CC[C@@H]1CN(C(=O)NCC2(C)CCC2)CCN1C[C@H](C)O
219047835	ZINC000097680990	high	6.68	-65.85	0	348.491	1.802	2	3	6	Cc1nc(C)c(CCC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c(=O)[n-]1
323004399	ZINC000258834726	ref	1.59	-7.64	0	235.283	1.009	2	3	3	CC(C)(O)C(=O)NCc1ccc2c(c1)CCO2
342087702	ZINC000600314270	ref	8.29	-10.51	0	263.337	1.866	0	3	4	COC(=O)[C@H](C)N(C)C(=O)Cc1ccc(C)c(C)c1
219047817	ZINC000350686859	ref	7.88	-12.73	0	291.395	3.095	1	4	7	CC[C@@H](C)n1ncc(NC(=O)[C@H](OC)C2CC2)c1C1CC1
219047820	ZINC000350688117	ref	8.01	-11.57	0	291.439	3.453	0	3	2	Cc1nn(C(C)(C)C)cc1C(=O)N1CC(C)(C)[C@H]1C(C)C
219047823	ZINC000350683882	ref	8.99	-47.26	1	291.439	3.117	2	1	6	CC(C)C[N@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C1CCCC1
219047826	ZINC000350683882	mid	9.13	-46.83	1	291.439	3.117	2	1	6	CC(C)C[N@@H+](Cc1ccc(C(=O)N(C)C)[nH]1)C1CCCC1
219047829	ZINC000350684608	ref	4.76	-7.94	0	261.293	2.338	1	3	5	CC(C)(C(=O)NCC(=O)c1cccs1)C(F)F
214182570	ZINC000053438088	mid	6.03	-34.23	1	328.298	2.422	2	2	9	CN(CCNCCC[NH+](C)C)Cc1ccccc1Br
342087703	ZINC000600314042	ref	5.37	-19.68	0	296.262	1.229	1	7	6	CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(CCF)c2)n1
342087704	ZINC000625368312	ref	6.36	-11.13	0	250.346	1.47	0	5	5	CCO[C@H](CN1CCn2cnnc2[C@H]1C)C1CC1
219047832	ZINC000350695504	ref	7.23	-17.35	0	294.399	2.085	1	3	6	CCN(CCOC)C(=O)N=c1cc(C)n([C@H](C)C2CC2)[nH]1
219047837	ZINC000350683020	ref	8.66	-24.96	1	278.4	2.067	1	4	5	CO[C@H]1CC[C@@H](Nc2cc(C(C)C)[nH+]c(N(C)C)n2)C1
219047840	ZINC000350683020	mid	8.45	-7.78	0	278.4	2.067	1	5	5	CO[C@H]1CC[C@@H](Nc2cc(C(C)C)nc(N(C)C)n2)C1
214182573	ZINC000053433218	ref	4.18	-10.06	0	344.415	0.606	1	5	5	CC(C)NC(=O)C(=O)N1CCN(CCOc2ccc(C#N)cc2)CC1
214182578	ZINC000053433218	low	6.44	-50.6	1	344.415	0.606	2	4	5	CC(C)NC(=O)C(=O)N1CC[NH+](CCOc2ccc(C#N)cc2)CC1
214182582	ZINC000053414565	ref	4.06	-12.12	0	336.775	2.166	2	4	7	Cc1occc1C(=O)NCC(=O)NCCOc1cccc(Cl)c1
214182587	ZINC000053414114	ref	1.39	-24.03	0	328.307	1.15	3	5	5	NC(=O)Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cn1
214182590	ZINC000053414114	mid	1.46	-24.78	0	328.307	1.15	3	5	5	NC(=O)Cn1cc(NC(=O)c2cc(-c3ccc(F)cc3)n[nH]2)cn1
282121830	ZINC000533467076	ref	1.49	-14.18	0	267.329	1.916	2	4	2	Cc1nc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)oc1C
214182594	ZINC000053411922	ref	0.28	-19.12	0	342.193	1.447	3	3	4	NC(=O)NCCC(=O)N[C@H]1CCOc2ccc(Br)cc21
219047842	ZINC000350686885	ref	4.57	-10.94	0	286.375	2.443	2	3	5	C[C@H](O)C(C)(C)NC(=O)CCc1cnc2ccccc2c1
219047846	ZINC000350686744	ref	6.56	-14.9	0	299.37	2.448	1	3	4	C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[C@H](CO)C1
342087705	ZINC000625368312	low	8.9	-45.14	1	250.346	1.47	1	4	5	CCO[C@H](C[N@@H+]1CCn2cnnc2[C@H]1C)C1CC1
178299653	ZINC000237145960	ref	8.1	-66.35	-1	357.41	1.862	0	6	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1
178299660	ZINC000237143433	ref	6.45	-56.94	-1	363.151	1.511	1	4	5	COC[C@](C)(NC(=O)c1ccc(I)cc1)C(=O)[O-]
178299662	ZINC000237148233	ref	6.84	-53.34	1	358.486	1.11	1	3	6	C[NH2+]CCCC(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
343993620	ZINC000079916379	low	10.16	-42.28	1	292.427	2.251	1	4	6	C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1nnc2n1CCC2
343993624	ZINC000079916379	low	10.23	-45.21	1	292.427	2.251	1	4	6	C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1nnc2n1CCC2
365631178	ZINC000354699736	high	4.66	-10.24	0	298.333	1.862	1	3	6	C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COC(F)F
365631189	ZINC000354700136	ref	3.32	-36.87	1	264.369	1.696	3	2	8	C[C@@H](O)CCC[N@H+](CC(N)=O)[C@H](C)c1ccccc1
365631199	ZINC000354700136	mid	0.9	-9.35	0	264.369	1.696	3	2	8	C[C@@H](O)CCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1
365631205	ZINC000354700136	mid	0.9	-9.35	0	264.369	1.696	2	3	8	C[C@@H](O)CCCN(CC(N)=O)[C@H](C)c1ccccc1
230723805	ZINC000425415677	ref	3.63	-20.89	0	312.435	2.18	2	3	7	Cc1ccc([C@@H](C)NC(=O)NCCCCS(C)(=O)=O)cc1
365631210	ZINC000354698714	ref	4.76	-23.54	0	296.323	1.054	0	6	6	CCOC(=O)[C@H]1CCCN1C(=O)COCc1ncc(C)o1
178299664	ZINC000237152030	ref	10.34	-64.43	-1	369.421	1.984	0	6	4	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1
365631223	ZINC000354698962	ref	2.36	-16.15	0	289.319	1.816	1	3	6	CC[C@H](CC(F)(F)F)NS(=O)(=O)C[C@@H]1CCCO1
178299666	ZINC000237146705	ref	7.78	-62.92	-1	361.373	1.942	0	6	4	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1
365631231	ZINC000354697763	ref	2.71	-7.97	0	297.273	1.004	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@H](C)O
365631237	ZINC000354699379	ref	2.97	-45.56	1	257.378	1.324	3	2	6	CC(C)(C)OCCCC[N@@H+]1CC[C@@H](NC(N)=O)C1
365631244	ZINC000354699379	mid	0.31	-8.98	0	257.378	1.324	3	2	6	CC(C)(C)OCCCC[N@H+]1CC[C@@H](NC(N)=O)C1
365631249	ZINC000354699379	high	0.31	-8.98	0	257.378	1.324	2	3	6	CC(C)(C)OCCCCN1CC[C@@H](NC(N)=O)C1
282121831	ZINC000151631577	ref	4.38	-12.7	0	305.378	2.36	2	3	6	CC[C@@H](COC)NC(=O)Nc1ccc(N2CCCC2=O)cc1
365631256	ZINC000354699522	ref	7.6	-45.57	1	298.427	1.369	0	4	5	CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CN(CC)CCO2)C1(C)C
365631261	ZINC000354699522	mid	7.43	-38.4	1	298.427	1.369	1	3	5	CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1(C)C
365631265	ZINC000354699522	mid	7.43	-38.4	1	298.427	1.369	1	3	5	CCO[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1(C)C
342087706	ZINC000625368312	low	8.43	-47.95	1	250.346	1.47	1	4	5	CCO[C@H](C[N@H+]1CCn2cnnc2[C@H]1C)C1CC1
365631181	ZINC000336548174	mid	8.31	-39.35	1	293.436	2.036	1	3	1	Cc1nc2c(s1)CCC[C@H]2C(=O)N1CCC[N@H+](C)CC1
230723792	ZINC000450368944	ref	4.98	-15.34	0	320.418	1.558	2	6	7	CSCC[C@H](O)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1
365631186	ZINC000336548174	mid	6.16	-8.64	0	293.436	2.036	0	4	1	Cc1nc2c(s1)CCC[C@H]2C(=O)N1CCCN(C)CC1
365631192	ZINC000336548575	ref	4.14	-11.15	0	263.341	2.289	2	3	3	Cc1ccc(NC(=O)N(C)C)cc1N[C@@H]1CCOC1
365631202	ZINC000336548785	ref	6.15	-18.72	0	270.336	2.283	1	3	1	Cc1nc2c(C(=O)N3CCC4(CCC4)C3)ccnc2[nH]1
365631211	ZINC000336548651	ref	8.45	-45.96	1	298.39	2.426	2	2	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1
365631217	ZINC000336548651	mid	8.45	-45.56	1	298.39	2.426	2	2	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1
230723810	ZINC000450370974	ref	5.57	-9.51	0	315.373	1.562	1	6	5	Cc1cc(OCc2ccccc2)nc(N2CCO[C@@H](CO)C2)n1
343993623	ZINC000599270167	ref	6.86	-50.05	1	281.356	1.901	1	5	6	COC(=O)CCCC[NH+]1CCC(c2nc(C)no2)CC1
290622289	ZINC000492521904	ref	5.42	-16.82	0	283.331	2.157	0	4	5	COc1cncc(/C=C\C(=O)N(C)Cc2ccccn2)c1
187168680	ZINC000125083172	high	4.99	-26.87	1	298.434	2.591	1	3	4	Cc1cccc2c(N[C@H](C)CN3CCN(C)CC3)cc[nH+]c12
365631222	ZINC000336548651	high	5.81	-10.3	0	298.39	2.426	1	3	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@]2(CCN(C)C2)C1
342087707	ZINC000600314599	ref	4.37	-16.01	0	293.388	1.819	0	3	3	CC[S@](=O)c1ccccc1C(=O)N1CC2(CCCO2)C1
342087708	ZINC000600313992	ref	5.15	-20.86	0	291.307	1.398	1	5	4	O=C(CNc1ccccc1[N+](=O)[O-])N1CC2(CCCO2)C1
185087407	ZINC000096071394	high	6.3	-9.27	0	283.375	2.259	0	3	1	CN1CCC[C@@]12CCCN(C(=O)c1cccc(C#N)c1)C2
365631229	ZINC000336548343	ref	7.05	-10.18	0	261.35	2.091	0	4	2	C[C@H](C(=O)N1CCn2ccnc2C1)c1cccs1
282121833	ZINC000533465398	ref	2.59	-13.0	0	260.297	1.487	1	5	3	Cc1ncoc1C(=O)NC[C@@H]1CCCn2ccnc21
365631235	ZINC000336548343	low	7.51	-40.32	1	261.35	2.091	0	3	2	C[C@H](C(=O)N1CCn2cc[nH+]c2C1)c1cccs1
398248092	ZINC000651457873	low	8.13	-27.33	1	286.375	3.47	1	3	7	COc1cccc2c(N[C@@H](C)COCC3CC3)[nH+]ccc12
259309338	ZINC000323013576	ref	5.63	-4.45	0	241.31	2.405	1	4	6	CCc1ncnc(NC[C@](C)(CC)OC)c1F
365631193	ZINC000122752504	mid	6.71	-51.01	1	291.351	2.172	2	3	4	C[C@H]1CC[N@@H+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C
214182574	ZINC000278482048	ref	5.41	-19.08	0	321.446	2.683	3	3	7	CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(C2CCC2)cc1
214182577	ZINC000278480807	ref	8.5	-9.15	0	316.302	3.014	0	4	6	C[C@H](c1c(F)cccc1F)N(C)Cc1ncnn1CC(F)F
299072140	ZINC000459274836	ref	5.72	-19.08	0	301.39	2.745	3	2	5	CC(C)[C@@H]1C[C@H]1NC(=O)Nc1cccc(C(=O)NC2CC2)c1
214182584	ZINC000278480521	ref	3.32	-55.27	1	308.245	1.429	1	3	6	C[C@@H](CC[S@@](C)=O)[NH2+]Cc1c(Br)cnn1C
214182588	ZINC000278480521	mid	2.1	-12.95	0	308.245	1.429	1	4	6	C[C@@H](CC[S@@](C)=O)NCc1c(Br)cnn1C
214182592	ZINC000278482214	ref	6.51	-47.7	1	318.446	2.494	1	4	3	C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1nc2cccnc2s1
214182595	ZINC000278482214	high	4.14	-14.62	0	318.446	2.494	0	5	3	C[C@H](C1CCN(C)CC1)N(C)C(=O)c1nc2cccnc2s1
214182597	ZINC000278480241	ref	8.85	-46.99	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1
230723820	ZINC000414271963	ref	6.82	-42.52	1	303.512	3.394	1	2	8	CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)S(C)(=O)=O)C1
214182601	ZINC000278480241	mid	8.23	-45.09	1	315.417	2.026	2	2	3	CC(=O)N(C)c1ccc(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1
197591026	ZINC000290090740	ref	4.14	-9.58	0	299.44	2.003	1	4	6	CN(C)c1cccnc1CNS(=O)(=O)CCC(C)(C)C
214182602	ZINC000278481677	ref	5.91	-20.33	0	316.401	1.986	1	3	5	C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)Cc1ccc(C(=O)NC)cc1
342087709	ZINC000600314496	ref	4.96	-19.0	0	271.292	1.38	1	5	7	COC(=O)C[C@@H](C)CC(=O)Nc1cnn(CCF)c1
214182606	ZINC000278482128	ref	4.58	-9.23	0	300.2	2.337	2	3	5	Cc1ccnc(NCCNC(=O)C(C)C)c1Br
214182608	ZINC000278482128	low	4.94	-39.93	1	300.2	2.337	2	2	5	Cc1cc[nH+]c(NCCNC(=O)C(C)C)c1Br
214190389	ZINC000053609387	ref	7.09	-8.28	0	325.416	2.777	0	6	4	CC(C)c1nc(CN2CCCN(c3ccccc3C#N)CC2)no1
214190392	ZINC000053600872	ref	7.54	-10.16	0	337.419	2.988	2	3	7	O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@H](O)c1ccccc1
342087710	ZINC000621361725	ref	4.9	-33.22	1	268.401	1.195	2	2	3	C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1CO
187168681	ZINC000125089416	ref	6.27	-27.16	1	256.349	3.246	1	2	4	CCc1cc(NCC2(C)COC2)c2ccccc2[nH+]1
342087711	ZINC000621361725	mid	5.36	-36.14	1	268.401	1.195	2	2	3	C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1CO
342087712	ZINC000621361725	mid	3.19	-9.13	0	268.401	1.195	1	3	3	C[C@H]1CCN(CC(=O)N2CCC[C@@H](C)C2)C[C@@H]1CO
214182579	ZINC000293543928	ref	3.66	-58.53	1	364.421	0.882	3	3	5	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cc(N2CCNC2=O)ccc1F
219047828	ZINC000286546468	low	4.76	-35.55	1	301.35	0.728	2	3	3	Cn1cc[nH+]c1CNC(=O)C(=O)N1CCC[C@H]1c1ccc[nH]1
219047831	ZINC000286547863	ref	4.63	-10.25	0	321.805	1.734	0	4	3	CN(C)S(=O)(=O)[C@@H]1CCCN(c2ncc(Cl)cc2F)C1
219047834	ZINC000286547552	ref	4.98	-15.9	0	303.811	2.027	1	3	7	CC(C)C(=O)CNS(=O)(=O)CCc1cccc(Cl)c1
219047836	ZINC000286547552	high	4.57	-43.48	-1	303.811	2.027	0	3	7	CC(C)C(=O)C[N-]S(=O)(=O)CCc1cccc(Cl)c1
219047839	ZINC000286547282	ref	5.21	-13.26	0	320.437	2.95	2	4	6	CC(C)=CCCNC(=O)N[C@H]1CCO[C@@H]1c1ccnn1C(C)C
219047844	ZINC000286547400	ref	7.01	-9.34	0	317.385	2.057	0	4	4	O=C(CCC(=O)N1CCO[C@]2(CCCOC2)C1)c1ccccc1
214182583	ZINC000293543928	mid	3.93	-56.64	1	364.421	0.882	3	3	5	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1cc(N2CCNC2=O)ccc1F
342087713	ZINC000621362443	ref	6.07	-32.29	1	296.455	1.83	2	2	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](CO)C2)C1
219047848	ZINC000286548225	ref	5.95	-8.14	0	323.093	2.621	1	3	4	Cc1cc(C(=O)NCC(F)(F)Br)ccc1[N+](=O)[O-]
219047851	ZINC000286546335	ref	7.2	-46.13	1	303.41	1.313	2	3	5	Cn1nccc1C1=CCN(C(=O)NCC[N@H+](C)C2CC2)CC1
219047854	ZINC000286546335	mid	7.22	-46.4	1	303.41	1.313	2	3	5	Cn1nccc1C1=CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1
342087714	ZINC000621362443	mid	6.31	-35.47	1	296.455	1.83	2	2	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](CO)C2)C1
219047855	ZINC000286546335	high	4.47	-13.15	0	303.41	1.313	1	4	5	CN(CCNC(=O)N1CC=C(c2ccnn2C)CC1)C1CC1
219047858	ZINC000286548299	ref	4.41	-10.74	0	315.095	2.374	1	4	4	O=C(NCC(F)(F)Br)c1csc([N+](=O)[O-])c1
214182586	ZINC000293543928	high	2.28	-20.55	0	364.421	0.882	2	4	5	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1cc(N2CCNC2=O)ccc1F
219047861	ZINC000286547036	ref	5.65	-12.3	0	307.39	2.525	1	4	8	CCOc1ccc(CNC(=O)C2CC(OCC)C2)cc1OC
219047865	ZINC000286546235	ref	5.95	-53.35	1	305.386	0.323	3	5	6	CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1
219047867	ZINC000286546235	mid	5.21	-52.72	1	305.386	0.323	3	5	6	CC[N@H+]1CCCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1
168364634	ZINC000368496975	low	10.4	-114.03	2	327.476	3.29	1	3	5	Cn1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(C2CCCCC2)n1
219047869	ZINC000286546235	high	3.92	-18.32	0	305.386	0.323	2	6	6	CCN1CCCC[C@H]1CNC(=O)NCCn1cnc(C#N)n1
290622290	ZINC000332739875	ref	0.24	-22.44	0	290.385	-0.048	1	4	3	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1
349534293	ZINC000602429276	high	6.05	-5.58	0	241.356	2.767	0	4	6	CCCCN(C)Cc1cc(C(=O)OC)cs1
230723832	ZINC000414273520	ref	7.68	-19.81	0	305.443	3.044	0	2	3	C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[S@](=O)C1CCC1
365631195	ZINC000623061325	ref	3.04	-49.39	1	304.213	1.857	1	3	1	C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ncc(Br)s1
306234633	ZINC000557898190	ref	7.38	-23.17	0	331.372	1.885	0	6	6	C[C@H](OCC(=O)N(C)Cc1ccc2c(c1)OCO2)c1nccn1C
306234634	ZINC000557911937	ref	7.21	-26.91	0	340.383	1.988	1	6	5	C[C@H](OCC(=O)Nc1ccc2ccc(=O)n(C)c2c1)c1nccn1C
342594562	ZINC000616961522	ref	4.11	-17.49	0	290.363	1.547	2	3	4	CC(C)(C)O[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365631201	ZINC000623062710	ref	6.34	-48.82	1	319.796	1.699	1	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCC[C@@H]1C[NH3+]
365631207	ZINC000623063545	ref	2.47	-54.94	1	301.35	1.938	2	4	3	C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
282121834	ZINC000449151688	ref	4.54	-48.94	1	284.306	2.19	2	2	4	[NH3+]C1CCC(OCC(=O)Nc2ccc(F)c(F)c2)CC1
282121840	ZINC000449151615	ref	4.45	-40.63	1	255.402	2.332	2	2	6	CC[C@H]([NH2+]C[C@H](O)C1CCOCC1)C1CCCC1
365631218	ZINC000623061428	ref	4.36	-59.32	1	300.362	1.123	2	3	2	CC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[C@@H]1[NH3+]
365631226	ZINC000623061428	mid	3.28	-84.57	0	300.362	1.123	1	3	2	CC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC[C@@H]1[NH3+]
365631233	ZINC000623061634	ref	3.25	-47.09	1	300.362	1.17	3	3	4	[NH3+]C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C1CCCC1
365631238	ZINC000623061634	mid	2.19	-54.14	0	300.362	1.17	2	3	4	[NH3+]C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCC1
365631245	ZINC000623061637	ref	5.14	-66.7	1	315.381	1.314	2	5	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C
365631253	ZINC000623063193	ref	5.45	-49.68	1	314.433	1.144	1	2	1	O=C(N1CCc2ccccc2C1)N1CC[C@@H](N2CC[NH2+]CC2)C1
365631258	ZINC000623061614	ref	2.55	-52.21	1	309.366	1.667	2	4	5	COc1cc(NC(=O)N2CCC[C@@H]2C[NH3+])cc(OC)c1OC
342594563	ZINC000616962011	ref	3.62	-18.15	0	268.357	1.119	2	3	5	CC[C@@H](OC1CCCCC1)C(=O)N[C@H]1CCNC1=O
282121846	ZINC000449152108	ref	5.81	-40.21	1	292.427	2.487	2	2	4	C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCCC[C@H]1c1cn[nH]c1
259309339	ZINC000323011457	ref	3.07	-13.57	0	238.247	0.926	2	5	5	CNC(=O)C[C@H](C)Nc1ccc([N+](=O)[O-])cn1
343993627	ZINC000599270167	high	4.48	-9.28	0	281.356	1.901	0	6	6	COC(=O)CCCCN1CCC(c2nc(C)no2)CC1
365631196	ZINC000122752504	high	4.84	-16.23	0	291.351	2.172	1	4	4	C[C@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1C
365631204	ZINC000122673842	ref	3.16	-10.24	0	270.741	2.066	1	3	4	C=C(C)CNS(=O)(=O)c1cc(C#N)ccc1Cl
365631212	ZINC000122673842	high	3.32	-40.97	-1	270.741	2.066	0	3	4	C=C(C)C[N-]S(=O)(=O)c1cc(C#N)ccc1Cl
219047843	ZINC000097681468	ref	8.44	-47.28	1	331.376	1.6	2	5	8	C[NH+](C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1
230723842	ZINC000425409826	ref	2.16	-10.15	0	310.304	2.446	0	6	5	FC(F)c1noc(CN2CCC(Oc3ccccn3)CC2)n1
178299667	ZINC000237148932	ref	3.19	-51.63	1	368.503	1.697	3	4	8	CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H]1CC[NH2+]C1
219047845	ZINC000097681468	high	6.16	-11.08	0	331.376	1.6	1	6	8	CN(C)C[C@H](NC(=O)CCn1cc([N+](=O)[O-])cn1)c1ccccc1
219047847	ZINC000097681061	ref	8.09	-9.77	0	335.513	3.691	1	3	5	Cc1ccccc1C1(CNC(=O)CSC(C)(C)C)CCOCC1
178299669	ZINC000237139285	ref	3.09	-49.1	1	365.499	1.648	2	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
178299671	ZINC000237138881	ref	4.66	-17.1	0	354.248	1.405	2	2	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1([NH3+])CC1
178299673	ZINC000237138881	high	4.66	-17.1	0	354.248	1.405	2	3	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)C1(N)CC1
136229069	ZINC000292815556	high	3.27	-4.71	0	249.354	2.978	1	3	8	C=CCOCCN(CC)[C@H](C)c1cccc(O)c1
214182591	ZINC000293555458	ref	2.32	-21.75	0	361.445	0.474	2	6	7	CCCNS(=O)(=O)N[C@@H]1CCN(c2sccc2C(=O)OC)C1=O
214182596	ZINC000293555458	high	3.05	-54.66	-1	361.445	0.474	1	6	7	CCCNS(=O)(=O)[N-][C@@H]1CCN(c2sccc2C(=O)OC)C1=O
136229070	ZINC000292838154	ref	6.27	-6.46	0	244.298	1.851	0	5	6	C=CCOCCn1nnc(-c2ccccc2C)n1
178299674	ZINC000237144225	ref	6.44	-60.24	-1	363.151	1.511	1	4	5	COC[C@](C)(NC(=O)c1cccc(I)c1)C(=O)[O-]
214182600	ZINC000293550631	ref	-0.51	-27.62	0	372.468	0.178	1	7	4	CC(=O)c1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1
219047850	ZINC000097681746	ref	8.28	-45.68	1	338.455	2.753	2	3	7	O=C(CCc1ccncc1)NC[C@H](c1cccnc1)[NH+]1CCCCC1
178299676	ZINC000237147639	ref	4.55	-56.99	1	351.472	1.359	1	3	3	C[NH2+]C1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1
365631215	ZINC000122712548	ref	5.25	-9.02	0	274.364	2.161	2	3	7	C#CCNC(=O)[C@H](C)Nc1cccc(COC(C)C)c1
398248094	ZINC000651458583	ref	9.73	-8.83	0	294.439	3.31	1	2	5	CCC[C@]1(COC)CCCN1C(=O)NC1CC2(CCC2)C1
365631208	ZINC000274346937	ref	3.89	-9.58	0	276.34	1.349	2	6	7	CN(C)c1ncc(CN[C@H](CCO)c2ccco2)cn1
365631216	ZINC000274346937	mid	4.94	-46.55	1	276.34	1.349	2	5	7	CN(C)c1ncc(C[NH2+][C@H](CCO)c2ccco2)cn1
230723843	ZINC000450368190	ref	7.02	-42.32	1	300.468	1.291	2	3	5	CSCC[C@@H](O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1
365631221	ZINC000274348744	ref	4.57	-7.33	0	262.313	1.062	1	4	2	CC(C)[C@H]1CCCN1C(=O)C(=O)Nc1cncnc1
290622291	ZINC000492521501	ref	8.45	-38.71	1	286.375	2.039	1	2	5	COc1cccc(C2=CCN(C(=O)/C=C\C[NH+](C)C)C2)c1
290622292	ZINC000492521501	high	5.92	-9.8	0	286.375	2.039	0	3	5	COc1cccc(C2=CCN(C(=O)/C=C\CN(C)C)C2)c1
365631227	ZINC000274348087	ref	3.53	-14.73	0	286.238	1.112	0	7	5	Cn1ccc(COC(=O)c2cc(OC(F)F)n(C)n2)n1
282121835	ZINC000245393908	ref	7.36	-50.34	1	334.468	1.321	3	4	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)CC2
365631236	ZINC000274344987	ref	2.09	-19.39	0	275.255	1.119	1	5	6	CC(=O)C[C@H](C)NC(=O)c1cc(OC(F)F)n(C)n1
342594564	ZINC000616961442	ref	2.98	-15.69	0	252.358	1.598	2	2	3	CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CCNC1=O
365631240	ZINC000274347510	ref	6.46	-11.71	0	298.346	1.952	1	4	3	O=C(Nc1cncnc1)N1CCO[C@H](Cc2ccccc2)C1
365631248	ZINC000274345354	ref	4.91	-24.48	0	263.276	1.547	2	4	4	Cc1nccn1CCNC(=O)Nc1cccc(F)n1
365631252	ZINC000274345354	mid	5.39	-45.04	1	263.276	1.547	2	3	4	Cc1[nH+]ccn1CCNC(=O)Nc1cccc(F)n1
282121844	ZINC000245393908	mid	7.32	-50.78	1	334.468	1.321	3	4	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)CC2
342594565	ZINC000616961595	ref	4.02	-18.43	0	260.337	1.575	2	2	5	C[C@H](CCC(=O)N[C@@H]1CCNC1=O)c1ccccc1
365631257	ZINC000274348729	ref	6.72	-44.48	1	277.372	1.815	2	3	4	CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cncnc1
230723878	ZINC000450367234	ref	9.59	-13.66	0	321.384	1.995	1	5	4	N#Cc1ccnc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1
290622294	ZINC000492521898	ref	2.97	-12.72	0	298.346	2.242	3	3	3	O=C(/C=C/c1cncc(O)c1)N=c1cc(C2CCCC2)[nH][nH]1
192339492	ZINC000421440161	ref	5.9	-10.94	0	230.311	1.93	1	2	4	O=C(NCCc1ccncc1)[C@]12CCC[C@H]1C2
290623538	ZINC000334299276	ref	8.34	-9.24	0	273.38	2.448	0	3	3	C[C@H]1CC[C@@]2(CCN(C(=O)CCc3cncnc3)C2)C1
219047849	ZINC000350683090	ref	6.54	-10.14	0	279.38	2.239	1	3	7	Cc1ccccc1OCCCN(C)C(=O)[C@@H](O)C(C)C
219047853	ZINC000350682589	ref	5.7	-12.33	0	283.265	2.066	1	2	8	O=C(NCCOCC(F)(F)C(F)F)[C@H]1C[C@H]1C1CC1
219047857	ZINC000350686058	ref	6.61	-10.95	0	289.419	3.119	2	2	4	CC(C)(O)CC(=O)NC[C@H]1CCC(C)(C)c2ccccc21
187168682	ZINC000125089416	high	5.96	-8.17	0	256.349	3.246	1	3	4	CCc1cc(NCC2(C)COC2)c2ccccc2n1
398248095	ZINC000649442572	ref	5.36	-6.17	0	246.335	2.647	0	4	2	c1csc(-c2ccnc(N3CCOCC3)c2)c1
187168683	ZINC000125091385	ref	4.2	-10.36	0	265.382	2.085	2	3	4	Cc1cccnc1CNC(=O)NC[C@H]1CCCS1
168364635	ZINC000368500799	ref	6.43	-43.85	-1	349.797	3.088	1	4	5	O=C(CC1=CCCCC1)N[C@H](c1ccc(Cl)c(F)c1)c1nnn[n-]1
365631224	ZINC000625060659	ref	4.79	-13.34	0	307.481	2.007	1	4	8	CCO[C@H](CS(=O)(=O)NC[C@@]1(C)CCCS1)C1CC1
168364638	ZINC000368500799	mid	6.42	-43.86	-1	349.797	3.088	1	4	5	O=C(CC1=CCCCC1)N[C@H](c1ccc(Cl)c(F)c1)c1nn[n-]n1
365631230	ZINC000625062209	ref	4.09	-48.77	-1	305.334	2.029	1	5	6	CCO[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1)C(C)C
398248096	ZINC000649442466	ref	3.26	-11.21	0	215.256	1.725	0	4	1	Cc1nn(C)cc1-c1cnc2c(c1)CCO2
365631234	ZINC000625062209	low	4.06	-23.59	0	305.334	2.029	2	5	6	CCO[C@@H](C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1)C(C)C
365631239	ZINC000625059632	ref	5.39	-9.64	0	310.419	2.351	0	4	1	C[C@H]1CN(C(=O)N2CCO[C@H](c3ccsc3)C2)C[C@@H](C)O1
219047862	ZINC000350684542	ref	9.53	-9.53	0	281.396	3.27	0	2	5	C[C@]1(F)CCN(C(=O)CCSCc2ccccc2)C1
219047864	ZINC000350682332	ref	5.46	-9.62	0	298.346	2.285	1	5	5	Cc1noc(CNC(=O)[C@H](C)Cn2ccc3ccccc32)n1
219047868	ZINC000350686059	ref	6.61	-11.01	0	289.419	3.119	2	2	4	CC(C)(O)CC(=O)NC[C@@H]1CCC(C)(C)c2ccccc21
219047871	ZINC000350686258	ref	7.9	-12.45	0	298.298	2.136	1	4	6	O=C(NCCc1cccc([N+](=O)[O-])c1)C(=O)c1ccccc1
187168684	ZINC000125081931	ref	2.69	-9.42	0	255.293	2.159	2	3	7	CCCCOCCNC(=O)Nc1ccc(F)nc1
187168685	ZINC000125088656	ref	5.95	-8.85	0	287.281	3.187	1	2	4	CC1(NC(=O)Cc2cccc(OC(F)(F)F)c2)CCC1
187168686	ZINC000125089159	ref	0.12	-12.56	0	263.297	1.422	2	5	5	CC[C@H](O)CCNC(=O)c1cnc2onc(C)c2c1
219047875	ZINC000350683889	ref	9.07	-13.57	0	287.338	3.386	1	3	3	CC1(C)CC(C(=O)Nc2ccc(-n3ccnc3)c(F)c2)C1
398248098	ZINC000649442338	ref	2.33	-8.71	0	209.274	1.861	0	5	2	COc1nscc1-c1cn(C)nc1C
219047852	ZINC000097681746	mid	6.42	-11.6	0	338.455	2.753	1	4	7	O=C(CCc1ccncc1)NC[C@H](c1cccnc1)N1CCCCC1
219047856	ZINC000097681781	ref	7.25	-49.14	1	338.473	1.569	1	3	6	CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC[N@H+](C)C1
219047860	ZINC000097681781	mid	7.24	-46.75	1	338.473	1.569	1	3	6	CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CC[N@@H+](C)C1
219047863	ZINC000097681781	mid	4.41	-16.48	0	338.473	1.569	0	4	6	CCN(CCS(=O)(=O)c1ccc(C)cc1)C(=O)[C@@H]1CCN(C)C1
282121836	ZINC000151626706	ref	7.53	-44.47	1	302.422	2.331	2	2	3	Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@H+]2C)n1
178299678	ZINC000237151688	ref	10.07	-64.71	-1	369.421	1.984	0	6	4	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1
214182604	ZINC000293550178	ref	1.9	-23.03	0	372.425	0.889	3	4	4	CNC(=O)CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O
214182609	ZINC000293546276	ref	4.53	-14.04	0	367.431	0.455	1	8	6	COC(=O)c1cc(S(=O)(=O)NCc2cnc(N(C)C)n2C)cnc1C
214182614	ZINC000293546276	mid	5.02	-38.44	1	367.431	0.455	1	7	6	COC(=O)c1cc(S(=O)(=O)NCc2c[nH+]c(N(C)C)n2C)cnc1C
219047866	ZINC000097681911	ref	4.86	-13.51	0	334.401	1.191	1	6	3	CN(Cc1ccc2nonc2c1)C(=O)[C@@H]1CSC(C)(C)C(=O)N1
219047870	ZINC000097681861	ref	3.21	-12.85	0	329.404	2.346	3	4	5	Cc1c(NC(=O)N[C@@H](c2nccn2C)C(C)C)cccc1C(N)=O
349534294	ZINC000618812333	ref	8.33	-11.58	0	298.39	1.969	0	4	4	CN(Cc1cn(C)nn1)C(=O)C[C@H]1CCc2ccccc2C1
219047872	ZINC000097681861	low	3.96	-39.4	1	329.404	2.346	3	3	5	Cc1c(NC(=O)N[C@@H](c2[nH+]ccn2C)C(C)C)cccc1C(N)=O
219047874	ZINC000097681081	ref	6.3	-10.68	0	339.439	2.685	2	3	4	Cc1ccccc1C1(CNC(=O)c2n[nH]c3c2CCC3)CCOCC1
214182618	ZINC000293547363	ref	2.2	-17.83	0	374.485	0.827	3	4	7	CNC(=O)[C@@H](NC(=O)CN1CCCNC(=O)[C@H]1CC(C)C)c1ccccc1
178299681	ZINC000237154153	ref	5.51	-46.13	1	352.866	1.104	2	3	7	C[NH2+]CCCC(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
219047878	ZINC000097681081	mid	6.35	-10.06	0	339.439	2.685	2	3	4	Cc1ccccc1C1(CNC(=O)c2[nH]nc3c2CCC3)CCOCC1
219047879	ZINC000097681956	ref	6.1	-16.81	0	333.432	1.713	1	3	6	CN(C)C(=O)N1CCC(C(=O)NCCOCc2ccccc2)CC1
214182620	ZINC000293547363	low	4.3	-46.42	1	374.485	0.827	4	3	7	CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1CC(C)C)c1ccccc1
365631225	ZINC000617414180	high	0.5	-10.35	0	276.34	0.022	2	4	4	CN1CCC[C@@H](NC(=O)CNC(=O)c2ccncc2)C1
365631232	ZINC000617414394	ref	5.13	-51.82	1	254.252	0.776	2	2	4	C[N@@H+]1CCC[C@@H](NC(=O)COCC(F)(F)F)C1
349534296	ZINC000602429448	ref	8.29	-47.08	1	226.32	1.811	1	3	8	CCC[N@@H+](CC(=O)OC)C[C@H](C)CCC#N
365631243	ZINC000617414394	mid	4.59	-48.9	1	254.252	0.776	2	2	4	C[N@H+]1CCC[C@@H](NC(=O)COCC(F)(F)F)C1
365631247	ZINC000617414394	high	2.24	-14.85	0	254.252	0.776	1	3	4	CN1CCC[C@@H](NC(=O)COCC(F)(F)F)C1
365631251	ZINC000617413074	ref	5.41	-44.45	1	281.4	0.893	3	2	4	C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CCCCC2)C1
365631259	ZINC000617413074	mid	4.87	-43.47	1	281.4	0.893	3	2	4	C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)C2CCCCC2)C1
197591031	ZINC000162780765	ref	4.46	-2.92	0	307.619	3.316	2	3	5	CC(C)C[C@H](CO)Nc1ncc(Cl)cc1Br
365631262	ZINC000617413074	high	2.52	-8.43	0	281.4	0.893	2	3	4	CN1CCC[C@@H](NC(=O)CNC(=O)C2CCCCC2)C1
365631277	ZINC000617413367	ref	5.25	-48.74	1	250.346	0.71	2	3	3	Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@@H+](C)C2)n1
365631284	ZINC000617413367	mid	5.79	-51.77	1	250.346	0.71	2	3	3	Cc1cc(C)n(CC(=O)N[C@H]2CCC[N@H+](C)C2)n1
197591034	ZINC000162776710	ref	6.4	-14.41	0	318.417	3.046	2	3	8	COc1ccc(CCNC(=O)NCCC2=CCCC2)cc1OC
187168687	ZINC000125083842	ref	7.87	-7.3	0	284.359	2.41	1	3	2	Cc1cc(C#N)ccc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
185087409	ZINC000096071407	ref	7.42	-39.39	1	288.391	2.396	1	2	2	COc1ccc(C(=O)N2CCC[C@]3(CCC[N@@H+]3C)C2)cc1
365631286	ZINC000617413367	high	2.9	-15.18	0	250.346	0.71	1	4	3	Cc1cc(C)n(CC(=O)N[C@H]2CCCN(C)C2)n1
230723885	ZINC000425410008	ref	4.18	-12.06	0	308.353	2.095	2	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOc1cccc(F)c1
282121837	ZINC000367462425	low	12.36	-103.2	2	341.499	2.548	2	1	4	C[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1
282123678	ZINC000151693010	ref	3.84	-7.15	0	306.337	2.068	2	3	5	COC[C@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(C)C
197591036	ZINC000162781124	ref	5.53	-37.71	1	317.433	2.608	2	4	8	COc1ccc([C@@H](C)[NH2+][C@H](CO)C(C)C)cc1Cn1cccn1
365631291	ZINC000617414818	ref	4.52	-51.8	1	266.345	0.911	2	4	5	Cc1noc(CCCC(=O)N[C@@H]2CCC[N@@H+](C)C2)n1
190493194	ZINC000269428806	ref	3.34	-16.17	0	270.329	0.527	2	4	8	C=CC(=O)NCCC(=O)N[C@@](C)(CCC)C(=O)OC
365631297	ZINC000617414818	mid	3.99	-48.95	1	266.345	0.911	2	4	5	Cc1noc(CCCC(=O)N[C@@H]2CCC[N@H+](C)C2)n1
365631301	ZINC000617414818	high	1.63	-15.13	0	266.345	0.911	1	5	5	Cc1noc(CCCC(=O)N[C@@H]2CCCN(C)C2)n1
214182605	ZINC000053435255	ref	9.25	-38.79	1	326.387	3.121	1	2	7	CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@H+](C)C1CCCC1
219047873	ZINC000286546597	ref	0.83	-12.71	0	316.357	1.519	3	5	3	Cc1ccc2ncc(C(=O)NC[C@]3(O)CCO[C@@H]3C)c(O)c2c1
219047876	ZINC000286546597	mid	2.02	-13.86	0	316.357	1.519	3	4	3	Cc1ccc2[nH]cc(C(=O)NC[C@]3(O)CCO[C@@H]3C)c(=O)c2c1
219047880	ZINC000286546597	high	1.58	-34.63	-1	316.357	1.519	2	4	3	Cc1ccc2[n-]cc(C(=O)NC[C@]3(O)CCO[C@@H]3C)c(=O)c2c1
214182611	ZINC000053435255	mid	9.23	-38.68	1	326.387	3.121	1	2	7	CN(Cc1ccc(OC(F)F)cc1)C(=O)C[N@@H+](C)C1CCCC1
178299682	ZINC000237154110	ref	5.52	-45.98	1	352.866	1.104	2	3	7	C[NH2+]CCCC(=O)NCC(=O)N1CCN(c2ccc(Cl)cc2)CC1
178299684	ZINC000237141226	ref	3.82	-55.26	1	357.501	1.357	1	4	4	C[NH2+]C1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1
219047882	ZINC000286546421	ref	2.94	-16.33	0	305.425	1.766	1	5	5	CC(=O)Nc1ncc(S(=O)(=O)N(C)[C@@H](C)C(C)C)s1
178299687	ZINC000237138945	ref	3.69	-9.59	0	358.442	1.443	2	5	8	COCCn1nc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)ccc1=O
219047885	ZINC000286545952	ref	4.22	-12.21	0	307.346	2.317	2	5	5	COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1ccc(O)cc1OC(C)C
219047893	ZINC000286546207	ref	4.02	-15.48	0	318.373	2.333	2	4	5	CCOC1CC(C(=O)Nc2cc3c(cc2OC)CCC(=O)N3)C1
178299688	ZINC000237138945	high	3.69	-9.59	0	358.442	1.443	2	6	8	COCCn1nc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)ccc1=O
219047896	ZINC000286545898	ref	7.31	-18.23	0	300.362	1.352	1	4	3	CCc1[nH]ccc1C(=O)N1CCc2c(ncn(CC)c2=O)C1
219047900	ZINC000286547057	ref	10.09	-20.66	0	322.412	2.946	1	4	4	Cc1ccc(C[C@H](C)NC(=O)c2ccnc3c2ncn3C)c(C)c1
282121839	ZINC000533465398	low	3.21	-35.27	1	260.297	1.487	1	4	3	Cc1ncoc1C(=O)NC[C@@H]1CCCn2cc[nH+]c21
230723886	ZINC000414273522	ref	7.65	-15.81	0	305.443	3.044	0	2	3	C[C@@H]1CCc2ccccc2N1C(=O)[C@@H](C)[S@@](=O)C1CCC1
365631228	ZINC000122727088	ref	4.77	-8.14	0	268.401	2.225	2	2	4	C[C@@H](O)CC(C)(C)CNC(=O)N1C[C@H]2CCC[C@H]2C1
282121845	ZINC000533465404	ref	2.59	-13.0	0	260.297	1.487	1	5	3	Cc1ncoc1C(=O)NC[C@H]1CCCn2ccnc21
365631242	ZINC000122765927	ref	5.71	-10.91	0	299.765	2.328	0	5	2	N#Cc1ccc(Cl)cc1N1CCN(c2cccnn2)CC1
168364640	ZINC000368500799	mid	6.43	-11.48	0	349.797	3.088	2	4	5	O=C(CC1=CCCCC1)N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1
290622295	ZINC000492521898	high	3.73	-50.88	-1	298.346	2.242	2	3	3	O=C(/C=C/c1cncc([O-])c1)N=c1cc(C2CCCC2)[nH][nH]1
365631241	ZINC000336549215	ref	5.98	-12.74	0	299.436	2.303	0	3	3	CS(=O)(=O)[C@H]1CCCCN(C(=O)CC2=CCCCC2)C1
365639058	ZINC000625087609	high	2.48	-53.09	-1	320.361	2.192	0	4	7	C[C@@H]([N-]S(=O)(=O)c1cccnc1OCC(F)F)C1CCC1
365639061	ZINC000625086801	ref	4.05	-16.78	0	317.38	2.251	2	2	4	NC(=O)NC[C@H]1CCCCN1C(=O)CC1CCC(F)(F)CC1
230723899	ZINC000450368438	ref	1.69	-8.42	0	315.192	1.838	2	5	4	OC[C@H](O)CSc1ncnc2cc(Br)ccc12
365639065	ZINC000625088227	ref	4.25	-13.09	0	311.394	2.299	1	3	7	CCO[C@H](CS(=O)(=O)N[C@@H]1CCCC(F)(F)C1)C1CC1
192037543	ZINC000273074977	ref	5.3	-6.09	0	276.38	2.358	1	4	6	CCOc1ccccc1[C@H](C)NCN1CCC(=O)CC1
365639069	ZINC000625083523	ref	4.16	-12.26	0	300.305	2.394	2	3	4	CC(=O)NC1CCC(NC(=O)c2ccc(C(F)F)o2)CC1
290622296	ZINC000492520546	ref	2.67	-10.99	0	274.345	2.487	2	4	4	Cc1ncsc1CNC(=O)/C=C\c1ccc(O)cc1
290622298	ZINC000492521965	ref	6.94	-12.54	0	267.288	2.331	1	4	4	CC(=O)c1ccccc1NC(=O)C=Cc1ccncn1
230723914	ZINC000450371171	ref	5.31	-13.62	0	307.379	1.659	1	7	3	CC(=O)c1nc(N2CCO[C@@H](c3nnc(C)[nH]3)C2)sc1C
230723918	ZINC000450371171	mid	4.91	-11.13	0	307.379	1.659	1	7	3	CC(=O)c1nc(N2CCO[C@@H](c3n[nH]c(C)n3)C2)sc1C
365639377	ZINC000617442667	ref	5.01	-19.72	0	283.295	0.985	2	6	2	C[C@H]1C[C@@H](NC(=O)c2ccc3nc[nH]c3n2)c2ncnn21
365639393	ZINC000617444055	ref	1.48	-15.43	0	263.257	0.71	1	7	3	COc1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)on1
365639410	ZINC000617443344	ref	6.72	-53.57	1	295.412	0.837	2	5	4	C[C@@H]1C[C@@H](NC(=O)C[N@H+](C)[C@@H]2CCSC2)c2ncnn21
365639417	ZINC000617443344	mid	6.71	-53.9	1	295.412	0.837	2	5	4	C[C@@H]1C[C@@H](NC(=O)C[N@@H+](C)[C@@H]2CCSC2)c2ncnn21
365639421	ZINC000623071671	ref	4.4	-54.15	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccccn2)CC1
230723938	ZINC000450372310	ref	9.04	-17.81	0	303.366	1.281	1	7	6	CCOC(=O)[C@H](C)CNc1ccc2nnc([C@H]3C[C@H]3C)n2n1
365639422	ZINC000641608686	ref	1.98	-9.6	0	282.34	1.809	2	4	3	OC[C@@H]1CC[C@H](CN=c2[nH]c3ccc(F)cc3s2)O1
365639424	ZINC000617443344	mid	4.51	-19.46	0	295.412	0.837	1	6	4	C[C@@H]1C[C@@H](NC(=O)CN(C)[C@@H]2CCSC2)c2ncnn21
259309340	ZINC000323004242	ref	-0.25	-8.86	0	240.259	1.177	2	6	4	CCOC(=O)c1coc(N[C@@H]2CCC[C@H]2O)n1
365639428	ZINC000623071222	ref	2.71	-56.32	1	310.423	1.205	1	5	2	Cc1nnc(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1
365631246	ZINC000625059107	ref	2.12	-10.18	0	303.362	2.134	0	6	7	COc1cncc(CN(C)Cc2ccc(OC)c(OC)c2)n1
365631250	ZINC000625059107	low	3.89	-50.27	1	303.362	2.134	1	5	7	COc1cncc(C[N@H+](C)Cc2ccc(OC)c(OC)c2)n1
365631254	ZINC000625059107	low	4.53	-50.45	1	303.362	2.134	1	5	7	COc1cncc(C[N@@H+](C)Cc2ccc(OC)c(OC)c2)n1
365631260	ZINC000625059717	ref	8.15	-50.48	1	315.421	2.017	2	4	8	CCC[N@H+](CCc1cn(C)nn1)CC(=O)Nc1ccccc1C
365631266	ZINC000625059717	mid	8.13	-49.76	1	315.421	2.017	2	4	8	CCC[N@@H+](CCc1cn(C)nn1)CC(=O)Nc1ccccc1C
365631269	ZINC000625059717	mid	6.09	-14.35	0	315.421	2.017	1	5	8	CCCN(CCc1cn(C)nn1)CC(=O)Nc1ccccc1C
230723911	ZINC000414273816	ref	5.75	-14.66	0	303.374	3.087	1	2	4	C[C@H](C(=O)Nc1cc(F)ccc1F)[S@@](=O)CC(C)(C)C
343993628	ZINC000079912914	ref	5.19	-11.88	0	299.461	2.363	2	4	6	Cc1ccc(CCCC(=O)NC[C@@]2(O)CCSC2)s1
343993635	ZINC000079918944	ref	5.75	-11.0	0	250.367	2.33	1	3	6	CCc1nc(CCNC(=O)/C=C/C2CC2)cs1
343993641	ZINC000079918898	ref	3.52	-7.94	0	261.325	2.021	1	5	7	CCc1nc(CN(CCCO)c2ccccc2)no1
342087715	ZINC000621362443	high	3.95	-8.84	0	296.455	1.83	1	3	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CC[C@H](C)[C@H](CO)C2)C1
365631274	ZINC000625059013	ref	2.62	-8.23	0	313.405	2.05	0	6	5	c1ccc(CN2CCN(Cc3noc(C4CCC4)n3)CC2)nc1
365631278	ZINC000625059013	low	5.46	-38.02	1	313.405	2.05	1	5	5	c1ccc(C[NH+]2CCN(Cc3noc(C4CCC4)n3)CC2)nc1
365631281	ZINC000625059204	ref	10.14	-24.57	0	324.369	2.293	1	7	4	O=C(Cn1cncn1)Nc1c(-c2cccs2)nc2ccccn12
365631288	ZINC000625060187	ref	3.48	-11.1	0	319.467	2.07	1	4	7	CCOC1(CS(=O)(=O)N[C@@H]2CCC[C@H]2CC)CCOCC1
365631290	ZINC000625062609	ref	2.03	-9.16	0	318.464	2.174	1	5	4	Cc1cnc(C(C)(C)NS(=O)(=O)[C@@H]2COC(C)(C)C2)s1
230723937	ZINC000414274342	ref	10.93	-14.34	0	309.417	3.174	1	5	6	CCc1ccc([C@@H](NCc2nc3ncccn3n2)C(C)C)cc1
230723940	ZINC000414274342	low	11.67	-39.98	1	309.417	3.174	1	4	6	CCc1ccc([C@@H]([NH2+]Cc2nc3ncccn3n2)C(C)C)cc1
365631294	ZINC000625059395	ref	6.85	-16.7	0	316.467	2.008	1	4	6	CCC[C@@H](OCC)C(=O)N1CSC[C@H]1C(=O)NC(C)(C)C
282121841	ZINC000151626706	mid	6.71	-43.07	1	302.422	2.331	2	2	3	Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CCC[N@@H+]2C)n1
282121847	ZINC000151626706	high	4.26	-10.86	0	302.422	2.331	1	3	3	Cc1cccc([C@@H]2CCCN2C(=O)NC[C@@H]2CCCN2C)n1
230723897	ZINC000425413385	ref	4.02	-7.26	0	303.309	2.313	0	6	4	CC(C)(C)OC(=O)[C@H]1CCCN1Cc1nc(C(F)F)no1
282121842	ZINC000367462425	low	12.37	-106.57	2	341.499	2.548	2	1	4	C[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1
282121852	ZINC000425614590	ref	11.35	-34.2	1	298.43	2.942	1	1	4	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1C[C@@H]1C1CC1
343993631	ZINC000599268177	ref	7.84	-42.98	1	282.428	1.894	1	3	4	CC(C)C[C@@H](C(=O)OC(C)(C)C)N1C[C@@H]2C[NH2+]C[C@@H]2C1
342087716	ZINC000600314607	ref	3.97	-22.07	0	277.28	1.182	1	5	2	Nc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCCO2)C1
343993634	ZINC000599268177	low	8.41	-104.14	2	282.428	1.894	2	2	4	CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
190493195	ZINC000269422255	ref	8.19	-11.13	0	296.461	2.918	0	4	4	CS[C@H]1CCCCN(C(=O)CSc2ccncc2)C1
343993638	ZINC000599268177	low	8.41	-102.94	2	282.428	1.894	2	2	4	CC(C)C[C@@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
365631255	ZINC000122775284	ref	6.86	-6.49	0	250.254	2.369	1	5	5	C=C(C)CNc1cc(C(=O)OC)ccc1[N+](=O)[O-]
365631263	ZINC000122763334	ref	4.34	-7.35	0	264.344	2.33	1	2	3	C[C@H]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C
365631271	ZINC000122763334	mid	6.03	-37.24	1	264.344	2.33	2	1	3	C[C@H]1CC[N@@H+]([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C
365631275	ZINC000122763334	mid	6.13	-38.45	1	264.344	2.33	2	1	3	C[C@H]1CC[N@H+]([C@H](C(N)=O)c2ccc(F)cc2)C[C@@H]1C
365631279	ZINC000122681326	ref	3.43	-8.08	0	290.728	2.103	1	4	5	C=C(C)CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl
365631289	ZINC000122681326	high	3.6	-34.37	-1	290.728	2.103	0	4	5	C=C(C)C[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl
365631295	ZINC000122731505	ref	7.63	-40.58	1	278.318	2.128	1	1	2	C[C@@H]1CC[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1C
190493196	ZINC000269426091	ref	1.96	-22.85	0	257.334	-0.257	2	3	6	CCNC(=O)C(C)(C)CNC(=O)CN(C)C(C)=O
365631303	ZINC000122731505	mid	7.4	-40.51	1	278.318	2.128	1	1	2	C[C@@H]1CC[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1C
178299683	ZINC000000393803	ref	3.12	-9.27	0	204.273	2.407	2	2	1	Cc1cc2nc(C(C)(C)O)[nH]c2cc1C
342087717	ZINC000622702287	ref	2.79	-13.96	0	293.392	1.27	2	4	5	Cc1nc(CC2CC2)sc1C(=O)NC[C@@H]1CNC(=O)C1
342087718	ZINC000622702290	ref	3.09	-13.85	0	286.784	1.586	2	3	5	O=C(CCc1cc(Cl)cs1)NC[C@@H]1CNC(=O)C1
342087719	ZINC000600314223	ref	6.58	-41.63	1	251.374	1.774	2	2	4	CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342087720	ZINC000600314223	mid	6.49	-42.92	1	251.374	1.774	2	2	4	CC[C@@](C)(C#N)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
342087721	ZINC000600314436	ref	3.58	-14.06	0	280.259	1.22	2	5	5	COC(=O)c1ccc(C(=O)Nc2cnn(CCF)c2)[nH]1
365631264	ZINC000274348729	mid	6.89	-41.66	1	277.372	1.815	2	3	4	CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)Nc1cncnc1
230723936	ZINC000425413172	ref	5.23	-10.57	0	304.39	2.309	2	3	7	COCCOc1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1
365631267	ZINC000274344728	ref	2.8	-14.93	0	289.335	1.224	2	4	4	COc1cc2c(cc1NCC(=O)N1CCC1)NC(=O)CC2
365631273	ZINC000274344399	ref	10.14	-16.81	0	284.315	1.475	0	5	4	O=C(Cn1cnc2c(c1=O)CCC2)OCc1ccccc1
365631283	ZINC000274347587	ref	3.99	-11.52	0	293.363	1.201	1	4	6	C[C@H](O)C[C@H]1COCCN1C(=O)COCc1ccccc1
365631285	ZINC000274348510	ref	2.34	-11.79	0	285.409	1.685	2	3	7	CCc1ccc(CS(=O)(=O)N[C@H](CO)C(C)C)cc1
398248097	ZINC000651457753	ref	6.1	-9.29	0	295.308	3.474	2	2	3	Cc1n[nH]cc1[C@H](C)N[C@H]1CCc2cc(F)c(F)c(F)c21
178299686	ZINC000013679477	ref	6.43	-9.4	0	223.279	3.242	1	2	1	Cc1cc2nc(-c3ccccn3)[nH]c2cc1C
365631292	ZINC000274345592	ref	4.82	-16.31	0	291.351	1.069	1	3	3	CNC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1
178299690	ZINC000360460374	ref	3.27	-18.36	0	242.242	1.242	3	4	2	Cc1cc2n[nH]cc2cc1NC(=O)c1nc[nH]n1
168365946	ZINC000041053863	mid	2.21	-31.65	1	186.299	0.833	2	2	3	C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCOCC1
178299693	ZINC000360460374	mid	3.17	-16.55	0	242.242	1.242	3	4	2	Cc1cc2[nH]ncc2cc1NC(=O)c1nc[nH]n1
178299695	ZINC000004073726	ref	9.53	-8.83	0	248.329	4.35	1	1	2	Cc1cc2nc(/C=C/c3ccccc3)[nH]c2cc1C
178299699	ZINC000004073726	low	9.93	-27.75	1	248.329	4.35	1	0	2	Cc1cc2[nH]c(/C=C/c3ccccc3)[nH+]c2cc1C
365631299	ZINC000274345992	ref	0.68	-19.78	0	287.381	1.476	1	5	8	COc1cc(C)nc(CS(=O)(=O)CCCCCO)c1
365631307	ZINC000274348821	ref	6.43	-46.4	1	272.356	1.844	2	4	3	Cc1nnc([C@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)[nH]1
178299701	ZINC000004661287	ref	7.77	-9.85	0	249.317	3.745	1	2	2	Cc1cc2nc(/C=C/c3cccnc3)[nH]c2cc1C
398248099	ZINC000651457753	mid	7.19	-47.88	1	295.308	3.474	2	1	3	Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21
365631311	ZINC000274348821	mid	5.97	-42.33	1	272.356	1.844	2	4	3	Cc1nnc([C@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)[nH]1
187168688	ZINC000125088454	ref	4.23	-8.79	0	274.43	2.101	2	3	8	CC(C)CSCCCNC(=O)NCC1(C)COC1
349534297	ZINC000594968345	ref	6.23	-41.83	1	257.443	2.844	1	1	3	C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)C1
168365948	ZINC000041053863	mid	0.74	-42.25	1	186.299	0.833	1	2	3	C[C@@H]([NH3+])[C@@H](C)N(C)C1CCOCC1
282121848	ZINC000192697981	high	8.77	-9.48	0	346.471	2.923	1	4	7	CCC(CC)(CN[C@H](C)C(=O)N1CCCc2ccccc21)C(=O)OC
282121854	ZINC000263030402	ref	9.14	-39.17	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C)C(=O)[O-]
282121863	ZINC000436110364	ref	8.4	-9.03	0	325.38	2.609	1	5	8	CCC(CC)(CN[C@H](C(=O)OC)c1ccc(F)cc1)C(=O)OC
168364642	ZINC000368496216	ref	7.24	-8.96	0	347.418	3.308	1	5	6	c1ccc(-c2noc([C@H](NC[C@H]3[C@@H]4COC[C@H]34)c3ccccc3)n2)cc1
282121874	ZINC000422796125	ref	7.69	-116.67	2	260.425	2.942	2	0	7	CCC(CC)(C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1
282121877	ZINC000422796125	high	6.0	-40.73	1	260.425	2.942	2	1	7	CCC(CC)(C[NH2+][C@H](C)C1CNC1)c1ccccc1
282121879	ZINC000422796125	high	6.68	-40.95	1	260.425	2.942	2	1	7	CCC(CC)(CN[C@H](C)C1C[NH2+]C1)c1ccccc1
197591038	ZINC000162776940	ref	4.02	-12.24	0	304.39	1.661	2	3	6	CC(C)c1ccc(N2CC[C@@H](C(=O)NCCCO)C2=O)cc1
230723965	ZINC000450371898	ref	2.72	-8.06	0	303.362	1.519	3	6	7	Cc1cc(OCc2ccccc2)nc(NC(C)(CO)CO)n1
187168689	ZINC000125080766	ref	5.31	-14.09	0	278.352	2.303	1	4	5	Cc1ccc(NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)cn1
398248100	ZINC000649442388	ref	4.95	-13.78	0	241.294	1.681	1	3	1	Cc1nn(C)cc1-c1ccc2c(c1)C(=O)NCC2
365631268	ZINC000623062590	ref	4.35	-50.22	1	324.182	1.055	1	4	2	[NH3+]C[C@H]1CCCN1C(=O)c1nc2ccc(Br)cn2n1
365631272	ZINC000623062968	ref	8.37	-23.35	0	301.272	1.468	0	5	5	CCN(CCC(F)(F)F)C(=O)Cc1nc2ncccn2n1
342594566	ZINC000616962073	ref	4.06	-18.01	0	258.321	1.014	2	2	4	O=C1NCC[C@@H]1NC(=O)C1(Cc2ccccc2)CC1
365631280	ZINC000623062322	ref	1.36	-50.54	1	316.361	1.081	4	3	3	C[C@@]1(CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCC[NH2+]C1
365631287	ZINC000623062322	high	-0.45	-77.79	0	316.361	1.081	3	3	3	C[C@@]1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCC[NH2+]C1
342594567	ZINC000616961635	ref	2.83	-18.33	0	288.347	1.199	2	3	3	O=C(N[C@H]1CCNC1=O)c1ccc([C@@H]2CCCOC2)cc1
365631293	ZINC000623061520	ref	3.44	-11.43	0	316.345	1.211	0	3	5	CCN(CCC(F)(F)F)C(=O)[C@H]1CCCN1S(C)(=O)=O
187168691	ZINC000125085984	ref	4.83	-7.28	0	286.347	2.341	1	3	3	C[C@@H](C(=O)Nc1cccc(F)c1F)N1CCSCC1
365631300	ZINC000623061338	ref	4.03	-43.34	1	312.439	1.502	1	5	6	COCC[NH2+]C1CCN(C(=O)c2nnc(C(C)C)s2)CC1
212164989	ZINC000335489236	ref	4.32	-11.92	0	272.349	2.133	1	4	2	C[C@H](NC(=O)N1CCC[C@@](C)(F)C1)c1csnn1
365631270	ZINC000354698725	ref	4.0	-45.35	-1	297.314	1.276	1	4	2	O=C(c1cncc(O)c1)N1CCN(c2ccccc2)C(=O)C1
178299689	ZINC000237148573	ref	3.69	-51.42	1	373.457	1.389	1	6	8	C[NH2+]CCCC(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1
365631276	ZINC000354698725	mid	4.0	-45.35	-1	297.314	1.276	0	4	2	O=C(c1cncc([O-])c1)N1CCN(c2ccccc2)C(=O)C1
365631282	ZINC000457192702	ref	4.22	-14.98	0	273.336	1.888	1	4	3	CC1(C)C[C@@H](CNC(=O)c2cnccc2C#N)CCO1
178299691	ZINC000237153554	ref	9.96	-68.33	-1	369.421	1.984	0	6	4	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1
365631296	ZINC000354698786	ref	3.53	-14.75	0	284.315	1.205	2	3	4	NC(=O)Cc1occc1C(=O)NC1Cc2ccccc2C1
178299692	ZINC000237148463	ref	7.59	-60.47	-1	369.215	1.597	0	4	4	CN(CC(=O)[O-])C(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1
365631305	ZINC000354698415	ref	8.21	-46.28	1	290.411	1.702	1	3	2	C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCc3nccn32)CC[N@@H+]1C
178299694	ZINC000237140943	ref	4.68	-50.64	1	373.478	1.964	2	3	6	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H]([NH3+])c1ccccc1)CC2
365631309	ZINC000354698415	mid	8.29	-80.57	2	290.411	1.702	1	3	2	C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCc3nccn32)CC[N@H+]1C
178299696	ZINC000237140943	high	4.36	-17.81	0	373.478	1.964	2	4	6	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@@H](N)c1ccccc1)CC2
365631314	ZINC000354698415	mid	8.68	-80.0	2	290.411	1.702	1	2	2	C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C
136229071	ZINC000292809098	ref	7.69	-10.08	0	248.717	2.653	0	4	3	Cc1nc(N(C)[C@H](C)CC#N)c(Cl)cc1C#N
342594568	ZINC000616962016	ref	4.08	-19.0	0	280.393	1.692	2	3	5	Cc1cc(CCCC(=O)N[C@@H]2CCNC2=O)c(C)s1
349534298	ZINC000602429448	mid	8.01	-45.98	1	226.32	1.811	1	3	8	CCC[N@H+](CC(=O)OC)C[C@H](C)CCC#N
365631318	ZINC000354698415	mid	5.92	-11.27	0	290.411	1.702	1	2	2	C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCc3[nH+]ccn32)CC[N@H+]1C
295666182	ZINC000263574794	ref	9.73	-57.86	-1	307.415	2.671	0	4	4	CS[C@H]1CCCCN(C(=O)Cc2ccccc2C(=O)[O-])C1
178299697	ZINC000237139152	ref	4.34	-54.71	1	363.483	1.397	3	3	6	CCNS(=O)(=O)c1ccc(/C=C/C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
349534300	ZINC000602429448	mid	6.51	-10.78	0	226.32	1.811	0	4	8	CCCN(CC(=O)OC)C[C@H](C)CCC#N
178299698	ZINC000237142389	ref	4.07	-56.39	1	360.195	1.767	2	2	5	COc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)c(I)c1
365631322	ZINC000354698415	high	5.92	-11.27	0	290.411	1.702	0	4	2	C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCCc3nccn32)CCN1C
365631298	ZINC000625059763	ref	8.19	-13.86	0	310.463	2.383	1	3	2	CC(C)(C)NC(=O)[C@H]1CSCN1C(=O)[C@H]1CCCC12CC2
365631302	ZINC000625061878	ref	4.01	-11.01	0	319.467	2.024	0	4	6	CCOC1(CS(=O)(=O)N2CC[C@](C)(CC)C2)CCOCC1
365639060	ZINC000623071052	high	3.99	-15.89	0	314.393	1.914	2	5	3	Cc1ccc(NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)cc1
187168692	ZINC000125085984	low	6.91	-43.41	1	286.347	2.341	2	2	3	C[C@@H](C(=O)Nc1cccc(F)c1F)[NH+]1CCSCC1
342594569	ZINC000616961567	ref	4.05	-16.11	0	260.337	1.178	2	2	4	Cc1ccc(C[C@@H](C)C(=O)N[C@H]2CCNC2=O)cc1
197591048	ZINC000162778204	ref	5.67	-3.06	0	305.603	3.336	1	3	3	Clc1cnc(NC[C@@H]2CCCOC2)c(Br)c1
342594570	ZINC000616961477	ref	0.94	-19.64	0	288.225	1.029	3	3	2	O=C(N[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1O
230723973	ZINC000425413019	ref	8.04	-8.05	0	307.39	2.265	1	5	8	CC[C@](C)(NCC[C@H](C(=O)OC)c1ccccc1)C(=O)OC
230723977	ZINC000425413019	low	9.07	-40.05	1	307.39	2.265	1	4	8	CC[C@](C)([NH2+]CC[C@H](C(=O)OC)c1ccccc1)C(=O)OC
230744772	ZINC000450489526	ref	5.13	-14.48	0	303.362	1.086	1	4	6	CCC(=O)CNC(=O)[C@H]1CC(=O)N(CC)[C@@H]1c1cccnc1
230744773	ZINC000450489043	ref	5.38	-13.69	0	309.329	1.913	2	5	4	COc1ccc2[nH]nc(NC(=O)c3cnc(C4CC4)nc3)c2c1
282121849	ZINC000245393908	high	4.94	-14.76	0	334.468	1.321	2	5	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CN1CCC[C@@H](C)C1)CC2
365639066	ZINC000623071832	ref	2.77	-57.32	1	303.362	1.849	3	3	2	[NH3+][C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)OCCO3)C12CCC2
365639071	ZINC000623071825	ref	2.72	-67.08	1	319.405	1.914	2	3	3	COc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(CCOCC3)C2)cc1
365639076	ZINC000623071045	ref	5.7	-44.71	1	301.39	1.227	1	2	0	O=C(N1CCc2ccccc2C1)N1CC[C@H]2OCC[NH2+][C@H]2C1
365639080	ZINC000623071045	mid	4.42	-9.98	0	301.39	1.227	1	3	0	O=C(N1CCc2ccccc2C1)N1CC[C@H]2OCCN[C@H]2C1
282121857	ZINC000417441554	ref	2.9	-49.4	1	294.403	0.574	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C[NH3+])CC(C)C)CC2
282121869	ZINC000135074671	ref	5.97	-16.21	0	331.445	2.34	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCc3sccc31)CC2
365639084	ZINC000623071410	ref	4.51	-43.45	1	304.394	1.974	2	3	2	[NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)Nc2cccnc2)C1
365639430	ZINC000641602366	ref	3.77	-9.84	0	263.403	1.862	0	3	5	CC[C@H](C)N(CC)S(=O)(=O)[C@H]1CCOC[C@@H]1C
133428280	ZINC000306464522	ref	3.72	-6.21	0	150.225	1.408	0	2	1	CC1=C[C@H](C)CN(CC#N)C1
133428281	ZINC000306464522	low	6.23	-45.37	1	150.225	1.408	1	1	1	CC1=C[C@H](C)C[N@H+](CC#N)C1
365631304	ZINC000623061324	ref	2.97	-49.72	1	304.213	1.857	1	3	1	C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ncc(Br)s1
365631310	ZINC000623062168	ref	0.68	-50.82	1	316.361	1.209	4	3	4	[NH3+]C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C1CCCC1
365631316	ZINC000623062168	high	-1.13	-73.8	0	316.361	1.209	3	3	4	[NH3+]C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CCCC1
365631320	ZINC000623061375	ref	4.45	-52.4	1	321.425	1.383	2	4	5	COCCn1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1
230723984	ZINC000450368879	ref	4.75	-8.91	0	309.316	1.824	2	5	7	Cc1cc(OCc2ccccc2)nc(NC[C@@H](O)C(F)F)n1
185087411	ZINC000096071407	mid	7.68	-39.9	1	288.391	2.396	1	2	2	COc1ccc(C(=O)N2CCC[C@]3(CCC[N@H+]3C)C2)cc1
365631326	ZINC000623063310	ref	3.32	-49.44	1	324.182	1.103	2	4	3	[NH3+]C1(CNC(=O)c2nc3ccc(Br)cn3n2)CCC1
365631332	ZINC000623061850	ref	2.22	-38.75	1	302.197	1.387	2	3	3	O=C(NCC12CC(C[NH2+]1)C2)c1ncc(Br)s1
365631337	ZINC000623061429	ref	3.21	-57.63	1	300.362	1.123	2	3	2	CC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[C@H]1[NH3+]
365631339	ZINC000623061429	mid	2.15	-77.59	0	300.362	1.123	1	3	2	CC[C@@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC[C@H]1[NH3+]
342594571	ZINC000616961477	mid	1.95	-62.97	-1	288.225	1.029	2	3	2	O=C(N[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1[O-]
365631345	ZINC000623061988	ref	4.5	-39.65	1	301.394	1.637	2	3	3	[NH3+]CC12CC(CN1C(=O)Nc1cccnc1N1CCCC1)C2
365631350	ZINC000623063200	ref	3.12	-8.25	0	313.357	1.379	2	4	4	COc1ccccc1[C@H]1CNCCN1C(=O)C(=O)c1ccc[nH]1
365631356	ZINC000623063200	mid	4.56	-49.47	1	313.357	1.379	2	3	4	COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)C(=O)c1ccc[nH]1
365631362	ZINC000623062383	ref	2.88	-46.78	1	304.213	1.717	1	3	2	C[C@@]1(C[NH3+])CCN(C(=O)c2ncc(Br)s2)C1
230723993	ZINC000450367637	ref	7.05	-14.48	0	301.386	1.977	1	3	3	CC(=O)c1ccc2c(c1)CCN(C(=O)[C@@H](O)C1CCC1)CC2
365631368	ZINC000623062338	ref	3.62	-49.73	1	300.362	1.043	3	3	3	C[C@@]1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CCC[NH2+]C1
187168693	ZINC000125086965	ref	1.83	-12.4	0	281.36	0.651	2	5	4	C[C@@H]([C@@H](C)NC(=O)Nc1ccnn1C)N1CCOCC1
365631373	ZINC000623062338	mid	2.56	-75.38	0	300.362	1.043	2	3	3	C[C@@]1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCC[NH2+]C1
133428282	ZINC000306464522	low	6.28	-44.78	1	150.225	1.408	1	1	1	CC1=C[C@H](C)C[N@@H+](CC#N)C1
365631379	ZINC000623062337	ref	3.61	-49.76	1	300.362	1.043	3	3	3	C[C@]1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CCC[NH2+]C1
365631306	ZINC000122731505	mid	4.9	-9.31	0	278.318	2.128	0	2	2	C[C@@H]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@@H]1C
343993642	ZINC000599270977	ref	4.12	-18.17	0	291.351	1.661	1	5	8	COc1ccc(COCC(=O)N[C@H](C#N)CC(C)C)cn1
343993646	ZINC000599268417	ref	2.98	-13.07	0	291.298	1.024	1	6	8	CCOC(=O)C[C@H](O)CN(C)Cc1nccn1C(F)F
230724000	ZINC000450368946	ref	4.98	-15.21	0	320.418	1.558	2	6	7	CSCC[C@@H](O)C(=O)N[C@@H](C)c1ccc(-n2ccnn2)cc1
365631313	ZINC000122728796	ref	4.8	-8.07	0	274.364	2.087	1	3	2	CC1(C)C[C@@H]1C(=O)N1CCN(c2ccccc2O)CC1
178299700	ZINC000237154081	ref	8.72	-72.05	-1	369.215	1.597	0	4	4	CN(CC(=O)[O-])C(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1
178299702	ZINC000237140749	ref	4.41	-52.83	1	359.517	1.197	1	4	6	C[NH2+]CCCC(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
365631325	ZINC000122749133	ref	6.3	-33.16	1	266.385	2.214	1	3	8	COCCN(CC[NH+]1CCCCC1)Cc1ccco1
365631335	ZINC000122749133	high	3.83	-3.44	0	266.385	2.214	0	4	8	COCCN(CCN1CCCCC1)Cc1ccco1
365631341	ZINC000122666142	ref	6.85	-8.41	0	264.369	2.167	1	2	8	C#CCN(C(=O)NCCOCCC=C)C1CCCC1
365631349	ZINC000122664781	ref	4.46	-43.97	-1	290.728	2.103	1	4	5	C=C(C)CNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]
365631355	ZINC000122664781	high	4.46	-43.97	-1	290.728	2.103	0	4	5	C=C(C)C[N-]S(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-]
365631359	ZINC000122659346	ref	6.35	-15.46	0	268.382	2.391	0	4	7	C=CCCO[C@H](C)C(=O)N(C)Cc1csc(C)n1
365631365	ZINC000122726382	ref	6.37	-44.46	1	277.412	2.457	1	3	8	COCCCCC[NH2+]C1CCN(c2ccccn2)CC1
365631372	ZINC000122726382	low	6.49	-89.36	2	277.412	2.457	1	2	8	COCCCCC[NH2+]C1CCN(c2cccc[nH+]2)CC1
349534299	ZINC000618811917	ref	6.94	-21.18	0	272.352	1.886	0	4	4	Cc1cccc([C@H](C)C(=O)N(C)Cc2cn(C)nn2)c1
343993649	ZINC000599268417	low	5.43	-43.33	1	291.298	1.024	2	5	8	CCOC(=O)C[C@H](O)C[N@H+](C)Cc1nccn1C(F)F
365631376	ZINC000122755455	ref	4.26	-11.88	0	253.371	2.059	1	4	3	C[C@H]1CCN(CC(=O)Nc2nccs2)C[C@@H]1C
365631381	ZINC000122755455	mid	6.45	-42.97	1	253.371	2.059	2	3	3	C[C@H]1CC[N@H+](CC(=O)Nc2nccs2)C[C@@H]1C
365631384	ZINC000122755455	mid	6.33	-42.25	1	253.371	2.059	2	3	3	C[C@H]1CC[N@@H+](CC(=O)Nc2nccs2)C[C@@H]1C
192037544	ZINC000418430208	ref	-0.21	-47.02	1	231.34	0.838	3	2	6	COCCC(C)(C)NC(=O)NCC(C)(C)[NH3+]
365631389	ZINC000122742949	ref	8.19	-10.35	0	271.368	2.385	0	5	3	CCn1cc(C2CCN(c3nccc(C)n3)CC2)cn1
365631397	ZINC000122680890	ref	3.04	-8.52	0	295.282	2.44	1	3	5	C=C(C)CNS(=O)(=O)c1ccccc1OC(F)(F)F
365631308	ZINC000617415108	ref	4.23	-42.85	1	270.373	0.783	2	3	6	C[N@@H+]1CCC[C@H](NC(=O)CCOC[C@H]2CCCO2)C1
365631312	ZINC000617415108	mid	4.76	-44.43	1	270.373	0.783	2	3	6	C[N@H+]1CCC[C@H](NC(=O)CCOC[C@H]2CCCO2)C1
365631317	ZINC000617415108	high	1.87	-9.59	0	270.373	0.783	1	4	6	CN1CCC[C@H](NC(=O)CCOC[C@H]2CCCO2)C1
349534301	ZINC000594967602	ref	9.12	-32.31	1	287.363	2.69	1	4	5	CCc1ccc(C)[nH+]c1NCc1cc(C(=O)OC)n(C)c1
365631323	ZINC000617413262	ref	5.71	-42.29	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1
214182610	ZINC000337615615	ref	4.62	-13.97	0	286.335	0.659	1	4	3	C[C@H]1CN(C(=O)CNc2cccc(C#N)c2)CC(=O)N1C
187168694	ZINC000125086965	low	3.71	-47.7	1	281.36	0.651	3	4	4	C[C@@H]([C@@H](C)NC(=O)Nc1ccnn1C)[NH+]1CCOCC1
295666183	ZINC000373553533	ref	7.91	-11.01	0	273.398	2.072	0	4	3	CS[C@H]1CCCCN(C(=O)C(C)(C)OC(C)=O)C1
295666184	ZINC000366510567	ref	9.11	-40.81	1	340.533	2.766	1	3	4	CS[C@H]1CCCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1
365631328	ZINC000617413262	mid	5.19	-42.51	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)C1
365631330	ZINC000617413262	high	2.82	-11.23	0	267.373	0.455	1	3	2	CC(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(C)C2)C1
365631336	ZINC000617415127	ref	5.91	-51.7	1	265.357	0.208	2	2	3	C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1
365631340	ZINC000617415127	mid	5.37	-48.38	1	265.357	0.208	2	2	3	C[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1
365631344	ZINC000617415127	high	3.03	-15.57	0	265.357	0.208	1	3	3	CN1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)C1
365631348	ZINC000617414291	ref	3.45	-58.43	1	261.325	0.609	3	2	3	C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1
349534304	ZINC000594967602	mid	8.79	-10.25	0	287.363	2.69	1	5	5	CCc1ccc(C)nc1NCc1cc(C(=O)OC)n(C)c1
187168695	ZINC000125084551	ref	6.48	-9.7	0	289.379	2.086	0	4	3	CCn1nccc1/C=C/C(=O)N1CCO[C@H]2CCCC[C@@H]21
349534306	ZINC000594967909	ref	7.97	-8.55	0	268.364	2.8	1	4	5	CCn1ccnc1CNC(C)(C)c1cccc(C#N)c1
342594572	ZINC000616961554	ref	2.6	-19.61	0	276.336	1.193	2	3	5	CC[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(OC)cc1
365631351	ZINC000617414291	mid	2.93	-54.52	1	261.325	0.609	3	2	3	C[N@H+]1CCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1
349534309	ZINC000594967909	mid	9.04	-46.41	1	268.364	2.8	1	3	5	CCn1ccnc1C[NH2+]C(C)(C)c1cccc(C#N)c1
365631354	ZINC000617414291	mid	0.57	-20.16	0	261.325	0.609	2	3	3	CN1CCC[C@@H](NC(=O)c2cccc(C(N)=O)c2)C1
365631315	ZINC000274348821	mid	6.01	-43.19	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n1
365631319	ZINC000274348821	mid	5.54	-40.18	1	272.356	1.844	2	4	3	Cc1n[nH]c([C@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)n1
230724029	ZINC000450368943	ref	4.98	-15.37	0	320.418	1.558	2	6	7	CSCC[C@@H](O)C(=O)N[C@H](C)c1ccc(-n2ccnn2)cc1
365631321	ZINC000274348821	low	5.92	-37.27	1	272.356	1.844	2	4	3	Cc1nc([C@H]2CCC[N@@H+]([C@H](C)c3cnccn3)C2)n[nH]1
365631324	ZINC000274348821	low	5.45	-34.17	1	272.356	1.844	2	4	3	Cc1nc([C@H]2CCC[N@H+]([C@H](C)c3cnccn3)C2)n[nH]1
365631329	ZINC000274348821	high	3.71	-11.2	0	272.356	1.844	1	5	3	Cc1nc([C@H]2CCCN([C@H](C)c3cnccn3)C2)n[nH]1
365631331	ZINC000274348821	high	3.8	-10.04	0	272.356	1.844	1	5	3	Cc1n[nH]c([C@H]2CCCN([C@H](C)c3cnccn3)C2)n1
365631333	ZINC000274348821	high	4.22	-14.02	0	272.356	1.844	1	5	3	Cc1nnc([C@H]2CCCN([C@H](C)c3cnccn3)C2)[nH]1
230724035	ZINC000450368884	ref	4.2	-16.49	0	304.249	1.348	2	6	7	COC(=O)Cc1ccc(NC[C@@H](O)C(F)F)c([N+](=O)[O-])c1
365631338	ZINC000274344936	ref	8.23	-38.39	1	257.341	1.898	0	4	3	Cc1cc(N2CCC[C@H](Cn3cncn3)C2)cc[nH+]1
365631343	ZINC000274348294	ref	3.59	-42.38	1	297.395	1.86	2	4	12	COCCOCCOCCC[NH2+]Cc1cc(C)ccc1O
178299703	ZINC000237153544	ref	6.38	-92.12	2	356.474	1.544	3	4	6	Cc1c(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nnn1C1CC[NH2+]CC1
190493204	ZINC000269425469	ref	7.84	-14.48	0	291.372	2.329	0	4	4	CN(C(=O)c1ccc(S[C@@H]2CCOC2=O)cc1)C1CC1
230724038	ZINC000450368596	ref	1.17	-10.93	0	322.438	1.923	0	8	5	CCc1noc([C@@H](C)N2CCN([C@H](C)c3csnn3)CC2)n1
178299704	ZINC000237153544	high	3.81	-51.24	1	356.474	1.544	2	5	6	Cc1c(C(=O)NC[C@@H](c2ccccc2)N(C)C)nnn1C1CC[NH2+]CC1
178299706	ZINC000237152300	ref	4.3	-50.22	1	360.195	1.782	2	2	3	COc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)c(I)c1
178299708	ZINC000237139682	ref	2.48	-50.86	1	365.499	1.522	3	3	7	CCNS(=O)(=O)c1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
342087722	ZINC000600314436	high	3.14	-38.4	-1	280.259	1.22	1	5	5	COC(=O)c1ccc(C(=O)Nc2cnn(CCF)c2)[n-]1
230724040	ZINC000450368722	ref	10.3	-51.38	1	314.437	1.954	2	5	4	C[C@@H]1C[C@@H]1c1nnc2ccc(N[C@H]3CCC[C@@H]([NH+](C)C)C3)nn12
214182612	ZINC000337619916	ref	9.02	-19.76	0	285.303	3.113	1	4	4	CCc1cccnc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1
365631346	ZINC000274348294	high	4.35	-38.18	0	297.395	1.86	1	4	12	COCCOCCOCCC[NH2+]Cc1cc(C)ccc1[O-]
365631327	ZINC000354697861	ref	4.68	-12.64	0	259.313	1.417	2	6	2	C[C@H]1C[C@H](Nc2ncnc3nc(N)ccc23)CCO1
365631334	ZINC000354698555	ref	3.69	-12.15	0	297.355	1.389	1	4	5	Cc1cc(S(=O)(=O)NCCc2ccn(C)n2)ccc1F
365631342	ZINC000354698569	ref	3.14	-9.08	0	281.356	1.04	1	5	5	COCC1(C(=O)N[C@H](C)c2cnn(C)c2)CCOCC1
342594573	ZINC000616962792	ref	2.13	-17.38	0	273.119	1.612	2	2	2	O=C(N[C@@H]1CCNC1=O)c1c(Cl)cccc1Cl
342594574	ZINC000616961521	ref	4.13	-21.34	0	290.363	1.547	2	3	4	CC(C)(C)O[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365631347	ZINC000354699357	ref	7.93	-41.06	1	292.423	1.746	0	3	2	C[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@@H]1N1CCOCC1
282121850	ZINC000533465404	low	3.21	-35.24	1	260.297	1.487	1	4	3	Cc1ncoc1C(=O)NC[C@H]1CCCn2cc[nH+]c21
342594575	ZINC000616961440	ref	2.98	-15.98	0	252.358	1.598	2	2	3	CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CCNC1=O
282121855	ZINC000533465873	ref	4.13	-51.55	-1	294.405	1.844	0	5	4	Cc1cc(=NC(=O)CSCc2cscn2)[n-]nc1C
342594576	ZINC000616962790	ref	3.45	-19.87	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F
342594577	ZINC000616961513	ref	3.12	-20.45	0	276.336	1.023	2	3	6	CCCOc1cccc(CC(=O)N[C@@H]2CCNC2=O)c1
282121860	ZINC000533465873	low	3.95	-15.74	0	294.405	1.844	1	5	4	Cc1cc(=NC(=O)CSCc2cscn2)[nH]nc1C
365631352	ZINC000354699357	low	7.93	-41.06	1	292.423	1.746	1	2	2	C[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@@H]1[NH+]1CCOCC1
398248101	ZINC000651457847	ref	7.74	-6.98	0	291.42	3.481	1	5	7	CCc1nc(N[C@@H](C)COCC2CC2)c2ccsc2n1
365631358	ZINC000639790796	ref	5.25	-45.27	1	257.337	1.8	2	3	3	C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
365631363	ZINC000639790796	mid	5.25	-45.27	1	257.337	1.8	2	3	3	C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
230724069	ZINC000425416502	ref	3.67	-11.08	0	318.417	2.165	1	4	2	CC(C)(C)N1CC[C@H](N2CCO[C@@H](c3cccc(O)c3)C2)C1=O
365631369	ZINC000354698115	ref	5.05	-9.31	0	257.293	1.594	1	4	5	Cc1ccccc1OCCNC(=O)c1cncnc1
342594578	ZINC000616961404	ref	3.46	-18.0	0	290.363	1.62	2	3	4	CC(C)(C)OCc1ccccc1C(=O)N[C@@H]1CCNC1=O
365631377	ZINC000354698819	ref	6.48	-11.05	0	285.384	1.584	1	4	5	CC(C)OC(=O)C[C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1
133428283	ZINC000306477555	ref	0.15	-12.85	0	181.195	1.291	2	3	3	C=CCNC(=O)Nc1ncc(C)o1
365631385	ZINC000354697989	ref	7.66	-43.96	1	268.401	1.672	2	2	7	C=CCOCC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1
178299705	ZINC000004661287	low	8.17	-31.13	1	249.317	3.745	1	1	2	Cc1cc2[nH]c(/C=C/c3cccnc3)[nH+]c2cc1C
349534302	ZINC000602429192	ref	5.8	-43.99	1	247.342	1.281	1	2	2	C[NH2+][C@@H]1CCCN(C(=O)C2(C#N)CC3(CC3)C2)C1
349534305	ZINC000602428964	ref	6.85	-32.49	1	243.347	1.829	1	3	6	CCC[C@H](C[N@@H+]1CCCC[C@@H]1C(=O)OC)OC
282121851	ZINC000449152237	ref	6.81	-43.99	1	282.428	2.312	1	2	5	CCC[C@@H]1CCCN(C(=O)COC2CCC([NH3+])CC2)C1
365631353	ZINC000274344623	ref	3.47	-16.14	0	276.344	1.05	2	5	8	CCn1cc(CNC(=O)CCCCc2c[nH]nn2)cn1
365631357	ZINC000274344623	mid	3.39	-12.94	0	276.344	1.05	2	5	8	CCn1cc(CNC(=O)CCCCc2cn[nH]n2)cn1
365631361	ZINC000274348728	ref	6.89	-39.58	1	277.372	1.815	2	3	4	CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cncnc1
365631366	ZINC000274348728	mid	6.73	-37.32	1	277.372	1.815	2	3	4	CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1cncnc1
178299707	ZINC000360444356	ref	3.68	-15.41	0	241.254	1.847	3	3	2	Cc1cc2n[nH]cc2cc1NC(=O)c1c[nH]cn1
178299710	ZINC000360444356	mid	3.57	-13.16	0	241.254	1.847	3	3	2	Cc1cc2[nH]ncc2cc1NC(=O)c1c[nH]cn1
365631370	ZINC000274348099	ref	1.65	-11.59	0	272.308	1.536	2	6	6	OCC[C@H](NCc1cnc2cnccn12)c1ccco1
349534308	ZINC000602428964	mid	7.49	-29.48	1	243.347	1.829	1	3	6	CCC[C@H](C[N@H+]1CCCC[C@@H]1C(=O)OC)OC
365631374	ZINC000274348099	mid	3.09	-49.61	1	272.308	1.536	2	5	6	OCC[C@H]([NH2+]Cc1cnc2cnccn12)c1ccco1
282121856	ZINC000449152473	ref	6.1	-40.95	1	260.381	2.499	1	1	3	Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C(C)C)C1
398248102	ZINC000649442536	ref	5.07	-13.29	0	227.271	1.677	0	5	1	Cc1nn(C)cc1-c1ccc2c(c1)nnn2C
295666185	ZINC000366510567	high	8.04	-8.45	0	340.533	2.766	0	4	4	CS[C@H]1CCCCN(C(=O)CC2(N3CCOCC3)CCCC2)C1
178299715	ZINC000360415281	ref	4.13	-16.03	0	241.25	2.717	2	3	2	Cc1cc2n[nH]cc2cc1NC(=O)c1ccoc1
295666186	ZINC000408401431	ref	5.27	-14.56	0	319.492	2.088	0	4	3	CS[C@H]1CCCCN(C(=O)C2(S(C)(=O)=O)CCCC2)C1
365631380	ZINC000274347580	ref	4.42	-11.13	0	293.363	1.201	1	4	6	C[C@H](O)C[C@@H]1COCCN1C(=O)COCc1ccccc1
178299719	ZINC000360415281	mid	4.03	-14.3	0	241.25	2.717	2	3	2	Cc1cc2[nH]ncc2cc1NC(=O)c1ccoc1
365631386	ZINC000274345621	ref	3.78	-13.67	0	283.393	1.705	1	3	6	CCc1ccc(CS(=O)(=O)NC[C@H]2CCOC2)cc1
349534310	ZINC000602428964	mid	5.48	-4.47	0	243.347	1.829	0	4	6	CCC[C@H](CN1CCCC[C@@H]1C(=O)OC)OC
197591057	ZINC000162786301	ref	4.14	-12.57	0	310.369	2.149	2	3	4	C[C@H](CNC(=O)N1CCC[C@@](C)(O)C1)Oc1ccccc1F
342594579	ZINC000616962020	ref	4.68	-19.97	0	285.347	1.116	2	3	4	Cn1cc(CCC(=O)N[C@@H]2CCNC2=O)c2ccccc21
365631360	ZINC000617414181	ref	2.86	-46.25	1	276.34	0.022	3	3	4	C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccncc2)C1
282121853	ZINC000151628774	ref	3.61	-12.39	0	322.405	2.035	2	4	9	COCCOCCCNC(=O)N[C@@H]1CCc2c(OC)cccc21
282121858	ZINC000151620665	ref	4.46	-19.85	0	321.425	2.239	3	4	7	CCCn1nccc1NC(=O)N[C@@H](CC(N)=O)C1CCCCC1
365631364	ZINC000617414181	mid	3.39	-47.38	1	276.34	0.022	3	3	4	C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccncc2)C1
365631367	ZINC000617414181	high	0.5	-10.35	0	276.34	0.022	2	4	4	CN1CCC[C@H](NC(=O)CNC(=O)c2ccncc2)C1
342594580	ZINC000616961949	ref	4.51	-18.68	0	272.348	1.404	2	2	4	O=C1NCC[C@@H]1NC(=O)C1(Cc2ccccc2)CCC1
365631371	ZINC000617414844	ref	5.79	-46.88	1	281.4	0.844	2	2	2	C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1
306234635	ZINC000557900783	ref	5.71	-21.6	0	338.327	1.219	0	7	3	N#Cc1ccncc1C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1
342594581	ZINC000616961509	ref	5.34	-17.1	0	288.391	1.993	2	2	5	CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
342594582	ZINC000616961530	ref	4.99	-17.12	0	274.364	1.65	2	2	6	C[C@@H](CCCc1ccccc1)C(=O)N[C@@H]1CCNC1=O
342594583	ZINC000616962078	ref	2.47	-25.2	0	290.216	1.463	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cccc(C(F)(F)F)c1F
365631375	ZINC000617414844	mid	6.31	-49.2	1	281.4	0.844	2	2	2	C[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1
365631378	ZINC000617414844	high	3.43	-11.13	0	281.4	0.844	1	3	2	CN1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)C1
365631382	ZINC000617414784	ref	4.07	-60.21	1	291.351	0.375	3	3	5	C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1
230724071	ZINC000414275114	ref	7.04	-14.99	0	309.475	3.09	1	2	6	C[C@H](CNC(=O)[C@@H](C)[S@@](=O)CC(C)(C)C)c1ccccc1
187168697	ZINC000125083906	ref	0.55	-14.27	0	275.308	1.196	3	4	5	COc1ccc(-c2n[nH]cc2C(=O)N[C@@H](C)CO)cc1
365631388	ZINC000617414784	mid	3.55	-56.6	1	291.351	0.375	3	3	5	C[N@H+]1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1
365631391	ZINC000617414784	mid	1.18	-22.78	0	291.351	0.375	2	4	5	CN1CCC[C@@H](NC(=O)c2cccc(OCC(N)=O)c2)C1
187168698	ZINC000125080905	ref	3.48	-11.65	0	250.273	2.187	2	3	4	CCC[C@@](C)(O)C(=O)Nc1ccc(F)c(C#N)c1
178299709	ZINC000237151994	ref	9.39	-65.07	-1	355.394	1.675	0	6	4	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1
178299711	ZINC000237145481	ref	6.07	-41.88	1	354.336	1.505	1	5	4	C[NH2+]C[C@@H]1CCCN1C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
365631383	ZINC000623062337	mid	2.55	-75.36	0	300.362	1.043	2	3	3	C[C@]1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCC[NH2+]C1
214182613	ZINC000053435255	high	7.03	-12.01	0	326.387	3.121	0	3	7	CN(Cc1ccc(OC(F)F)cc1)C(=O)CN(C)C1CCCC1
214182616	ZINC000053433831	ref	4.87	-6.4	0	335.473	1.577	1	4	4	CSc1ccc(CN2CCN(C(=O)C(=O)NC(C)C)CC2)cc1
214182621	ZINC000053433831	low	7.17	-43.6	1	335.473	1.577	2	3	4	CSc1ccc(C[NH+]2CCN(C(=O)C(=O)NC(C)C)CC2)cc1
214182625	ZINC000053433426	ref	4.39	-6.28	0	341.814	1.648	1	3	3	CC(C)NC(=O)C(=O)N1CCN(Cc2c(F)cccc2Cl)CC1
365631387	ZINC000623061618	ref	6.41	-47.28	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1
214182629	ZINC000053428989	ref	2.85	-62.91	1	337.308	1.665	1	3	5	O=S1CCN(CC[NH2+]Cc2cc(Br)cs2)CC1
214182633	ZINC000053428989	high	1.49	-12.89	0	337.308	1.665	1	4	5	O=S1CCN(CCNCc2cc(Br)cs2)CC1
214182634	ZINC000053432593	ref	5.27	-13.89	0	346.431	1.921	0	6	7	CCN(CC)C(=O)CN1CCN(Cc2cc(-c3ccco3)on2)CC1
214182638	ZINC000053432593	low	7.42	-42.14	1	346.431	1.921	1	5	7	CCN(CC)C(=O)C[NH+]1CCN(Cc2cc(-c3ccco3)on2)CC1
214182640	ZINC000053440965	ref	7.21	-41.81	1	331.323	3.722	1	2	7	CN(CC[NH2+]CC1CCCC1)Cc1csc(Br)c1
214182645	ZINC000053420616	ref	2.56	-46.49	1	345.237	1.385	3	3	8	CC(C)[N@@H+](CC(N)=O)C[C@H](O)COc1cccc(Br)c1
214182647	ZINC000053420616	mid	2.14	-46.46	1	345.237	1.385	3	3	8	CC(C)[N@H+](CC(N)=O)C[C@H](O)COc1cccc(Br)c1
136229072	ZINC000184905621	ref	8.07	-6.56	0	247.313	2.834	0	1	4	C#CCC(C)(C)C(=O)N(C)Cc1ccccc1F
214182650	ZINC000053420616	mid	0.24	-13.05	0	345.237	1.385	2	4	8	CC(C)N(CC(N)=O)C[C@H](O)COc1cccc(Br)c1
214182652	ZINC000053429440	ref	7.32	-40.32	1	345.35	4.111	1	2	6	C[C@@H]1CCC[C@@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1
214182655	ZINC000053435705	ref	3.86	-48.99	1	339.461	1.764	3	3	5	Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)C2CCCC2)c1C
214182658	ZINC000053435705	mid	3.87	-48.72	1	339.461	1.764	3	3	5	Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)C2CCCC2)c1C
136229073	ZINC000292817305	ref	4.41	-10.77	0	224.304	1.076	1	2	3	C#CCN(C)C(=O)NC[C@H]1CCO[C@H](C)C1
178299713	ZINC000237152718	ref	7.43	-60.16	-1	351.79	1.804	1	6	7	COC[C@](C)(NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)[O-]
365631390	ZINC000623062657	ref	2.97	-56.25	1	323.393	1.915	2	4	5	COc1cc(NC(=O)N2CC[C@@](C)(C[NH3+])C2)cc(OC)c1OC
365631396	ZINC000623062637	ref	8.29	-43.6	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1
365631403	ZINC000623062560	ref	3.43	-50.05	1	323.418	1.448	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1
365631408	ZINC000623063529	ref	2.75	-8.7	0	318.402	1.642	1	6	3	COc1ccccc1[C@H]1CNCCN1C(=O)c1nnc(C)s1
178299714	ZINC000237140964	ref	6.1	-50.35	1	367.515	1.642	1	3	7	C[NH2+]CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
365631413	ZINC000623063529	mid	4.03	-46.73	1	318.402	1.642	1	5	3	COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1nnc(C)s1
365631418	ZINC000623062636	ref	8.31	-43.73	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1
365631425	ZINC000623061632	ref	2.18	-45.54	1	308.176	1.335	2	3	3	O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)c1ncc(Br)s1
178299716	ZINC000237140974	ref	8.6	-66.39	-1	357.41	1.732	0	6	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1
365631430	ZINC000623061632	high	0.76	-6.44	0	308.176	1.335	2	4	3	O=C(NC[C@@H]1C[C@H](F)CN1)c1ncc(Br)s1
365631437	ZINC000623062320	ref	1.35	-50.57	1	316.361	1.081	4	3	3	C[C@]1(CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCC[NH2+]C1
365631441	ZINC000623062320	high	-0.46	-77.66	0	316.361	1.081	3	3	3	C[C@]1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCC[NH2+]C1
282121859	ZINC000449152473	mid	5.71	-6.33	0	260.381	2.499	1	2	3	Cc1ccccc1[C@H](N)C(=O)N1CC[C@@H](C(C)C)C1
282121861	ZINC000449151546	ref	5.32	-46.96	1	283.375	2.137	2	2	5	Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H](C)Cc1ccncc1
178299717	ZINC000237140958	ref	6.12	-53.85	1	368.275	1.523	2	2	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CC[NH2+]C1
136229074	ZINC000137078591	ref	6.44	-7.3	0	239.265	2.728	1	1	6	C=C[C@H](CC(=O)NCC(F)F)c1ccccc1
282121864	ZINC000449151546	mid	5.0	-12.31	0	283.375	2.137	2	3	5	Cc1ccccc1[C@@H](N)C(=O)N[C@@H](C)Cc1ccncc1
178299718	ZINC000237138387	ref	8.48	-99.29	2	360.502	1.036	1	4	8	CN(CCN1CCN(c2ccccc2)CC1)C(=O)C[NH2+]C[C@H]1CCCO1
365631447	ZINC000623061656	ref	5.81	-50.9	1	314.433	1.144	1	2	1	O=C(N1CCN([C@@H]2CC[NH2+]C2)CC1)N1CCc2ccccc2C1
365631392	ZINC000637719758	ref	6.25	-13.26	0	293.367	1.676	1	4	4	CCc1noc(C)c1C(=O)N1CCCC[C@H]1CNC(C)=O
187168699	ZINC000125084196	ref	6.42	-9.69	0	284.359	2.41	1	3	2	Cc1cc(C#N)ccc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
365631394	ZINC000274346940	ref	3.72	-11.0	0	276.34	1.349	2	6	7	CN(C)c1ncc(CN[C@@H](CCO)c2ccco2)cn1
365631398	ZINC000274346940	mid	4.94	-46.51	1	276.34	1.349	2	5	7	CN(C)c1ncc(C[NH2+][C@@H](CCO)c2ccco2)cn1
365631402	ZINC000274345217	ref	0.8	-18.17	0	298.249	1.683	2	5	4	Cc1cc(=O)[nH]cc1NC(=O)c1cc(OC(F)F)n(C)n1
365631406	ZINC000274347488	ref	1.98	-5.94	0	279.38	1.805	1	4	6	COCc1cccc(CN2CCOC[C@@H]2C[C@H](C)O)c1
187168700	ZINC000125084202	ref	4.72	-5.2	0	253.346	2.492	1	5	9	CCCC[C@H](COC)Nc1cc(OCC)ncn1
365631411	ZINC000274347488	mid	4.05	-37.74	1	279.38	1.805	2	3	6	COCc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)c1
365631414	ZINC000274347488	mid	4.21	-37.81	1	279.38	1.805	2	3	6	COCc1cccc(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)c1
365631420	ZINC000274345639	ref	5.11	-15.98	0	283.393	1.893	1	3	7	CCc1ccc(CS(=O)(=O)NCC(=O)C(C)C)cc1
365631426	ZINC000274345639	high	4.73	-46.37	-1	283.393	1.893	0	3	7	CCc1ccc(CS(=O)(=O)[N-]CC(=O)C(C)C)cc1
365631431	ZINC000274345967	ref	2.66	-8.93	0	284.381	1.457	1	4	3	CC[C@H]1CN(S(=O)(=O)c2ccccc2N)C[C@@H](C)O1
365631434	ZINC000274348409	ref	1.73	-11.28	0	294.248	1.953	3	2	5	C[C@H](NC(=O)NCC(F)(F)CO)c1c(F)cccc1F
230724116	ZINC000414277716	ref	5.93	-15.23	0	311.447	3.207	1	3	6	CCOc1ccccc1NC(=O)[C@@H](C)[S@@](=O)CC(C)(C)C
342594584	ZINC000334211848	ref	5.39	-14.94	0	293.124	1.921	1	3	2	CN(CC#N)C(=O)c1cc(Br)cc2nc[nH]c12
342594585	ZINC000616961979	ref	2.64	-17.91	0	270.691	1.406	2	2	2	Cc1cc(C(=O)N[C@@H]2CCNC2=O)c(Cl)cc1F
197591063	ZINC000290089096	ref	5.45	-8.54	0	289.4	3.217	2	3	4	Cc1scc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)c1C
199272983	ZINC000294964271	ref	3.92	-8.74	0	293.323	0.662	1	6	6	COC[C@@](C)(NC(=O)c1cnc(C2CC2)nc1)C(=O)OC
199272985	ZINC000294964060	ref	5.62	-51.24	1	296.411	2.387	3	3	8	CCOC(=O)c1cc(C[NH2+]CC(C)(C)C[C@@H](C)O)[nH]c1C
365631442	ZINC000274347514	ref	1.85	-9.09	0	278.356	1.929	3	4	4	C[C@@](CO)(NC(=O)Nc1cncnc1)C1CCCCC1
133428284	ZINC000306478680	ref	7.31	-44.07	1	178.279	2.165	1	1	3	N#CCCC[N@@H+]1CC[C@@H]2CCC[C@@H]21
365631448	ZINC000274346429	ref	0.93	-12.1	0	252.318	1.397	3	4	6	CC(C)(CO)CCCNC(=O)Nc1cncnc1
365631455	ZINC000274345475	ref	3.19	-6.67	0	262.313	1.11	2	4	2	C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cncnc2)CC1
365631393	ZINC000354698694	ref	3.47	-8.77	0	257.374	1.811	1	3	6	CC[C@H](C)CCC(=O)N1CCOC[C@H]1C[C@@H](C)O
178299720	ZINC000237138387	mid	4.74	-12.32	0	360.502	1.036	2	3	8	CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[NH2+]C[C@H]1CCCO1
365631400	ZINC000354698815	ref	6.49	-12.54	0	285.384	1.584	1	4	5	CC(C)OC(=O)C[C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1
365631405	ZINC000354697868	ref	3.91	-52.07	1	293.367	1.268	2	4	7	CC1=CC[N@H+](CCNC(=O)COCc2ncc(C)o2)CC1
178299721	ZINC000237138387	high	4.74	-12.32	0	360.502	1.036	1	5	8	CN(CCN1CCN(c2ccccc2)CC1)C(=O)CNC[C@H]1CCCO1
178299723	ZINC000237139537	ref	7.73	-42.6	1	356.514	1.657	1	3	5	CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@H]1CC12CC[NH2+]CC2
365631410	ZINC000354697868	mid	3.91	-52.1	1	293.367	1.268	2	4	7	CC1=CC[N@@H+](CCNC(=O)COCc2ncc(C)o2)CC1
178299724	ZINC000237139537	mid	10.13	-89.72	2	356.514	1.657	2	2	5	CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@H]1CC12CC[NH2+]CC2
398248103	ZINC000651457493	ref	8.93	-7.14	0	271.364	3.165	1	4	6	Cc1cccc2c(N[C@H](C)COCC3CC3)ncnc12
365631417	ZINC000354697868	mid	1.63	-18.18	0	293.367	1.268	1	5	7	CC1=CCN(CCNC(=O)COCc2ncc(C)o2)CC1
365631422	ZINC000354699112	ref	4.32	-46.77	1	289.379	1.446	3	2	6	CCc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1
365631432	ZINC000354699668	ref	3.07	-13.22	0	296.318	1.515	2	4	6	Cn1nccc1CNC(=O)NCCSCC(F)(F)F
365631439	ZINC000354697849	ref	3.94	-10.0	0	272.295	1.841	2	2	6	COC[C@H](C)NC(=O)NCCc1cc(F)cc(F)c1
365631445	ZINC000354699934	ref	1.17	-9.04	0	256.39	1.417	3	2	6	CC(C)(C)[C@@H]([NH2+]C[C@H](O)CC1CCCC1)C(N)=O
178299727	ZINC000237138358	ref	6.07	-44.13	1	360.502	1.036	1	4	8	CN(CCN1CCN(c2ccccc2)CC1)C(=O)C[NH2+]C[C@@H]1CCCO1
365631451	ZINC000354699934	high	1.17	-9.04	0	256.39	1.417	3	3	6	CC(C)(C)[C@@H](NC[C@H](O)CC1CCCC1)C(N)=O
178299728	ZINC000237138358	mid	8.47	-98.46	2	360.502	1.036	2	3	8	CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)C[NH2+]C[C@@H]1CCCO1
214182615	ZINC000337620287	ref	4.69	-8.98	0	262.353	2.453	2	2	3	Cc1ccc([C@H](C)NC(=O)N[C@H]2CCOC2)c(C)c1
136229075	ZINC000184906501	ref	3.34	-14.53	0	238.331	1.313	1	2	4	C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1
282121862	ZINC000425614590	high	10.73	-5.19	0	298.43	2.942	0	2	4	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1C[C@@H]1C1CC1
365631457	ZINC000354698691	ref	3.48	-8.59	0	257.374	1.811	1	3	6	CC[C@H](C)CCC(=O)N1CCOC[C@@H]1C[C@H](C)O
343993645	ZINC000079911860	ref	4.53	-15.12	0	292.404	2.439	2	4	6	CC(C)[C@@](C)(O)CNC(=O)c1cccc(SCC#N)c1
365631395	ZINC000617414175	ref	4.91	-47.63	1	253.346	0.065	2	2	2	CN1CC[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC1=O
187168701	ZINC000125087165	ref	6.94	-28.89	1	258.768	2.909	2	1	5	C[NH+](C)C(C)(C)CNCc1cc(Cl)ccc1F
282121865	ZINC000533465439	ref	3.1	-16.94	0	279.34	1.01	2	4	2	C[C@H](O)[C@@H]1CCCN(C(=O)Nc2ccc(=O)n(C)c2)C1
365631399	ZINC000617414175	mid	4.37	-46.28	1	253.346	0.065	2	2	2	CN1CC[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1=O
295666187	ZINC000263570411	ref	9.13	-60.65	-1	285.409	2.376	0	4	4	CS[C@H]1CCCCN(C(=O)CC2(C(=O)[O-])CCC2)C1
295666188	ZINC000263572424	ref	7.46	-49.14	-1	257.355	1.595	0	4	3	CS[C@H]1CCCCN(C(=O)C2(C(=O)[O-])CC2)C1
197591068	ZINC000290090235	ref	2.2	-9.68	0	282.409	2.462	3	4	6	CNc1ccc(C(=O)NCC2(CCO)CCCC2)s1
342087723	ZINC000600314600	ref	6.09	-26.79	0	293.388	1.819	0	3	3	CC[S@@](=O)c1ccccc1C(=O)N1CC2(CCCO2)C1
365631401	ZINC000617414175	high	2.01	-11.46	0	253.346	0.065	1	3	2	CN1CCC[C@H](NC(=O)[C@@H]2CCN(C)C(=O)C2)C1
365631407	ZINC000617415154	ref	4.41	-44.59	1	269.389	0.748	3	2	3	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1
365631412	ZINC000617415154	mid	4.93	-45.49	1	269.389	0.748	3	2	3	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](C)C1
230724130	ZINC000450368454	ref	1.93	-52.55	-1	302.334	1.2	0	5	3	COc1ccc(-c2noc(=N[C@H]3CCCN(C)C3=O)[n-]2)cc1
365631416	ZINC000617415154	mid	2.05	-8.72	0	269.389	0.748	2	3	3	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(C)C1
365631423	ZINC000617415073	ref	6.01	-47.76	1	281.4	0.701	2	2	4	CC(C)CN1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1=O
365631427	ZINC000617415073	mid	6.55	-50.15	1	281.4	0.701	2	2	4	CC(C)CN1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O
259309341	ZINC000323015438	ref	4.34	-7.38	0	241.356	2.601	1	3	5	CC[C@](C)(CNC(=O)c1cc(C)cs1)OC
342087724	ZINC000600314357	ref	3.94	-16.23	0	277.28	1.182	1	5	2	Nc1c(C(=O)N2CC3(CCCO3)C2)cccc1[N+](=O)[O-]
342087725	ZINC000622702263	ref	3.87	-13.96	0	252.358	1.599	2	2	6	O=C(CCCC1CCCC1)NC[C@H]1CNC(=O)C1
342087726	ZINC000600314224	ref	6.58	-40.87	1	251.374	1.774	2	2	4	CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342087727	ZINC000600314224	mid	6.49	-41.05	1	251.374	1.774	2	2	4	CC[C@](C)(C#N)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
342087728	ZINC000600314336	ref	4.54	-55.01	-1	278.264	1.305	0	5	2	O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC2(CCCO2)C1
342087729	ZINC000600314336	low	3.56	-15.81	0	278.264	1.305	1	5	2	O=C(c1ccc([N+](=O)[O-])c(O)c1)N1CC2(CCCO2)C1
343993652	ZINC000079915274	ref	7.74	-18.24	0	293.374	2.405	0	5	4	CN(Cc1cccc2cccnc12)Cc1nnc2n1CCC2
398248104	ZINC000649442509	ref	6.44	-9.67	0	201.273	2.353	0	3	2	CCc1cccc(-c2cn(C)nc2C)n1
398248106	ZINC000649442570	ref	8.09	-11.12	0	240.306	2.915	0	3	1	Cc1nn(C)cc1-c1ccc2c(c1)CCCC2=O
178299722	ZINC000000124712	ref	5.68	-7.97	0	215.178	2.365	0	3	0	Cc1cc2nc(C(F)(F)F)cc(C)n2n1
178299726	ZINC000045955714	ref	8.23	-13.38	0	244.258	0.529	1	6	1	Cc1cc2n[nH]c(=O)n2c(-n2nc(C)cc2C)n1
178299730	ZINC000359811470	ref	3.65	-11.58	0	241.298	2.515	3	3	3	Cc1cc2n[nH]cc2cc1NCc1c[nH]nc1C
178299733	ZINC000034503244	ref	4.83	-52.34	-1	211.608	1.389	0	5	1	Cc1cc2nc(C(=O)[O-])cn2nc1Cl
214182617	ZINC000337618339	ref	3.94	-44.76	1	292.383	-0.79	1	3	2	O=C([C@H]1C[N@H+]2CCCN1CC2)N1CCN(C2CC2)C(=O)C1
178299736	ZINC000336616590	ref	4.48	-8.56	0	245.326	2.852	2	3	2	Cc1cc2n[nH]cc2cc1N[C@H]1CCCOCC1
214182619	ZINC000337618339	mid	3.76	-43.63	1	292.383	-0.79	1	3	2	O=C([C@H]1C[N@@H+]2CCCN1CC2)N1CCN(C2CC2)C(=O)C1
398248108	ZINC000649442474	ref	7.82	-6.75	0	200.285	3.012	0	2	1	Cc1cc(C)cc(-c2cn(C)nc2C)c1
178299742	ZINC000031943823	ref	6.49	-8.96	0	223.279	3.242	1	2	1	Cc1cc2nc(-c3cccnc3)[nH]c2cc1C
214182622	ZINC000337618339	high	2.12	-9.7	0	292.383	-0.79	0	4	2	O=C([C@H]1CN2CCCN1CC2)N1CCN(C2CC2)C(=O)C1
214182624	ZINC000337615884	ref	4.74	-8.4	0	298.427	2.003	2	3	8	COCC[C@H](C)NC(=O)[C@H](C)NC(=O)CC1CCCCC1
214182627	ZINC000337620020	ref	1.76	-9.33	0	259.346	0.659	1	4	7	CC[C@H]1C[C@H](C(=O)N(C)CCOCCO)CCO1
178299747	ZINC000006690930	ref	8.22	-11.24	0	223.279	3.013	0	3	1	Cc1cc2nc(-c3ccccc3)cc(C)n2n1
178299750	ZINC000078400714	ref	5.79	-9.05	0	241.269	3.26	2	2	1	Cc1cc2[nH]c(-c3ccc(F)cc3)nc2cc1N
178299753	ZINC000078400714	mid	5.79	-8.57	0	241.269	3.26	2	2	1	Cc1cc2nc(-c3ccc(F)cc3)[nH]c2cc1N
178299755	ZINC000078400714	mid	6.19	-28.07	1	241.269	3.26	2	1	1	Cc1cc2[nH]c(-c3ccc(F)cc3)[nH+]c2cc1N
214182631	ZINC000337615963	ref	4.63	-14.64	0	281.36	0.743	2	5	5	CCn1cnnc1CNC(=O)N1CCC[C@H]1C[C@H](C)O
214182635	ZINC000337620161	ref	3.15	-9.29	0	261.362	0.905	1	4	10	CCO[C@H](CC(=O)N(C)CCOCCO)C(C)C
214182637	ZINC000337616939	ref	8.08	-13.44	0	289.289	2.296	1	5	4	Cn1ncc2c(NCCc3cccc(F)c3F)ncnc21
214182639	ZINC000337616939	low	8.48	-41.08	1	289.289	2.296	1	4	4	Cn1ncc2c(NCCc3cccc(F)c3F)[nH+]cnc21
365631404	ZINC000122775370	ref	6.3	-7.11	0	266.385	2.245	1	2	6	C#CCN(C(=O)N[C@H](COC)C(C)C)C1CCCC1
365631409	ZINC000122755547	ref	8.33	-39.96	1	291.395	2.108	1	3	2	C[C@@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCC3)CC[N@@H+]1C
185087414	ZINC000096070917	ref	3.55	-12.81	0	297.358	2.023	0	4	3	O=C(c1cccnc1)N1CCC2(CN(Cc3ccoc3)C2)C1
365631415	ZINC000122755547	mid	8.61	-37.46	1	291.395	2.108	1	3	2	C[C@@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCC3)CC[N@H+]1C
365631419	ZINC000122755547	high	6.33	-7.32	0	291.395	2.108	0	4	2	C[C@@H]1C[C@@H](N(C)C(=O)c2noc3c2CCCC3)CCN1C
342594586	ZINC000616962791	ref	3.53	-25.79	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F
342594587	ZINC000616962068	ref	4.28	-19.88	0	278.327	1.399	2	2	5	C[C@@H](CCc1cccc(F)c1)C(=O)N[C@H]1CCNC1=O
365631424	ZINC000122712782	ref	5.24	-8.75	0	274.364	2.161	2	3	7	C#CCNC(=O)[C@@H](C)Nc1cccc(COC(C)C)c1
185087416	ZINC000096070917	mid	6.79	-53.7	1	297.358	2.023	1	3	3	O=C(c1cccnc1)N1CCC2(C1)C[NH+](Cc1ccoc1)C2
365631433	ZINC000122705943	ref	3.58	-8.02	0	290.407	2.277	2	3	5	CCC[C@@](C)(O)C(=O)NC[C@@H]1CCN(C)c2ccccc21
365631438	ZINC000122673362	ref	7.98	-39.76	1	296.374	2.045	1	3	1	Cn1nccc1C(=O)N1C[C@@H]2CCC[N@@H+]2Cc2ccccc21
365631444	ZINC000122673362	mid	8.23	-38.8	1	296.374	2.045	1	3	1	Cn1nccc1C(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21
230724145	ZINC000425419156	ref	5.61	-13.49	0	303.366	2.287	1	5	3	Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H](n3ccnn3)C2)o1
365631450	ZINC000122673362	high	6.14	-7.61	0	296.374	2.045	0	4	1	Cn1nccc1C(=O)N1C[C@@H]2CCCN2Cc2ccccc21
365631454	ZINC000122650376	ref	8.14	-7.71	0	269.344	2.112	1	2	2	O=C(C#Cc1ccccc1)N[C@H]1CCO[C@H](C2CC2)C1
365631461	ZINC000122706134	ref	3.63	-8.01	0	290.407	2.277	2	3	5	CCC[C@](C)(O)C(=O)NC[C@H]1CCN(C)c2ccccc21
365631467	ZINC000122674092	ref	3.16	-8.96	0	270.741	2.066	1	3	4	C=C(C)CNS(=O)(=O)c1ccc(C#N)cc1Cl
365631472	ZINC000122674092	high	3.3	-37.81	-1	270.741	2.066	0	3	4	C=C(C)C[N-]S(=O)(=O)c1ccc(C#N)cc1Cl
365631478	ZINC000122663368	ref	6.31	-52.23	-1	288.303	2.134	0	5	5	C[C@@H](CN(C)C(=O)c1coc(-c2ccccc2)n1)C(=O)[O-]
133428285	ZINC000306478680	mid	7.68	-43.54	1	178.279	2.165	1	1	3	N#CCCC[N@H+]1CC[C@@H]2CCC[C@@H]21
365631484	ZINC000122767930	ref	8.59	-31.59	1	250.386	2.263	1	1	3	O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCCCCC1
365631495	ZINC000122767930	high	6.24	-7.88	0	250.386	2.263	0	2	3	O=C([C@H](C1CC1)N1CCCC1)N1CCCCCC1
214182623	ZINC000293547363	low	4.03	-41.33	1	374.485	0.827	4	3	7	CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCNC(=O)[C@H]1CC(C)C)c1ccccc1
214182626	ZINC000293541590	ref	4.65	-15.44	0	360.37	0.423	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccccc1-n1nccc1C)OC
214182628	ZINC000293544661	ref	2.67	-16.19	0	371.397	0.991	2	7	4	CCc1nc(C)c(CNC(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)o1
187168702	ZINC000125087165	mid	6.09	-36.06	1	258.768	2.909	1	1	5	CN(C)C(C)(C)C[NH2+]Cc1cc(Cl)ccc1F
214182632	ZINC000293542172	ref	2.39	-10.25	0	360.37	0.169	3	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@](C)(O)c1ccccc1
365631421	ZINC000576584463	ref	5.01	-13.11	0	234.303	1.573	1	4	6	CC(C)Cn1nccc1C(=O)NCCCC#N
214182636	ZINC000293541503	ref	3.84	-27.57	0	361.442	0.938	1	5	8	CNC(=O)CN1CCN(C(=O)CCCC(=O)c2cccc(OC)c2)CC1
342594588	ZINC000616961448	ref	1.17	-17.49	0	288.134	1.315	2	3	2	Cc1ncc(C(=O)N[C@@H]2CCNC2=O)c(Cl)c1Cl
342594589	ZINC000626227910	ref	1.25	-15.7	0	282.727	1.899	3	3	3	C[C@H](C(=O)Nc1cc(Cl)ccc1O)[C@@H]1CCC(=O)N1
214182641	ZINC000293551047	ref	1.21	-11.18	0	352.387	0.835	3	6	7	CC[C@](C)(O)CNC(=O)C(=O)Nc1cc(COC)cc(C(=O)OC)c1
214182644	ZINC000293543206	ref	1.86	-20.73	0	350.35	0.142	3	4	4	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(N2CCCC2=O)c(F)c1
214182648	ZINC000293548285	ref	3.58	-10.63	0	354.407	0.402	2	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)N(CCCO)CC(C)(C)C
214182653	ZINC000293543642	ref	4.81	-22.09	0	366.443	0.863	1	6	5	CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C)c2nccn2c1
197591080	ZINC000162784010	ref	5.78	-11.17	0	306.328	2.092	1	2	3	CC1(C)CC[C@H](NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)C1
214182656	ZINC000293543642	mid	5.31	-41.28	1	366.443	0.863	1	5	5	CCS(=O)(=O)C[C@H](C)N(C)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1
214182659	ZINC000293549273	ref	1.17	-15.68	0	354.354	0.586	1	5	3	CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1
262838557	ZINC000399546453	ref	1.1	-11.95	0	218.26	0.359	2	4	4	Cc1cc(N[C@H](C)CC(N)=O)c(C#N)cn1
342594590	ZINC000626227910	high	2.02	-45.89	-1	282.727	1.899	2	3	3	C[C@H](C(=O)Nc1cc(Cl)ccc1[O-])[C@@H]1CCC(=O)N1
342594591	ZINC000616961505	ref	3.15	-17.06	0	264.35	1.165	2	3	3	Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCNC1=O
168365950	ZINC000041053863	low	2.55	-115.95	2	186.299	0.833	2	1	3	C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCOCC1
133428286	ZINC000306490282	ref	3.15	-7.05	0	175.191	0.23	1	3	2	CC#CCNC(=O)c1ccncn1
214182642	ZINC000337616151	ref	-0.49	-42.47	1	285.348	0.051	4	5	6	Cc1noc([C@@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)n1
365631428	ZINC000576584690	ref	7.19	-43.4	1	240.391	2.415	2	1	7	CC(=O)NCC[N@H+](C)CCCC1CCCCC1
365631436	ZINC000576584690	mid	4.85	-7.67	0	240.391	2.415	2	1	7	CC(=O)NCC[N@@H+](C)CCCC1CCCCC1
282952136	ZINC000333552710	high	2.03	-51.39	-1	302.252	2.018	2	3	2	O=C1CCC[C@H](C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)N1
295666189	ZINC000094087061	ref	7.84	-9.98	0	285.453	2.934	0	3	2	CS[C@H]1CCCCN(C(=O)C2C[C@H](C)O[C@H](C)C2)C1
214182643	ZINC000337616151	high	-2.42	-8.29	0	285.348	0.051	3	6	6	Cc1noc([C@@H](C)NC(=O)NC[C@](C)(O)CN(C)C)n1
214182646	ZINC000337617797	ref	3.4	-11.1	0	279.327	2.06	2	3	6	CC(C)[C@H](O)CC(=O)N[C@@H]1CCCC[C@@H]1OC(F)F
178299729	ZINC000237138358	high	4.63	-12.95	0	360.502	1.036	1	5	8	CN(CCN1CCN(c2ccccc2)CC1)C(=O)CNC[C@@H]1CCCO1
178299731	ZINC000237148650	ref	6.25	-56.07	-1	355.188	1.689	2	4	6	COCC(=O)N[C@@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-]
178299732	ZINC000237153190	ref	5.73	-100.3	2	360.437	1.374	3	4	6	C[NH+](C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1
214182649	ZINC000337619757	ref	4.41	-15.5	0	271.426	2.23	1	2	3	CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CC[S@@](=O)C1
214182651	ZINC000337615618	ref	6.98	-11.91	0	275.377	3.224	1	4	4	CCc1nc(C)c(C(=O)Nc2ncccc2CC)s1
214182657	ZINC000337615576	ref	8.31	-6.34	0	270.38	3.075	1	4	5	CC(C)CC1(CNc2ncnc3ccncc23)CCC1
214182663	ZINC000337620286	ref	4.69	-8.73	0	262.353	2.453	2	2	3	Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCOC2)c(C)c1
214182665	ZINC000337616620	ref	0.98	-11.36	0	296.367	2.295	3	4	6	CC[C@@](C)(CO)NC(=O)Nc1cc(OC)cc(OC)c1C
214182667	ZINC000337616010	ref	4.76	-15.37	0	288.351	2.068	2	3	5	COc1cc(C)cc(CNC(=O)N(C)Cc2cc[nH]n2)c1
214182670	ZINC000337620089	ref	2.22	-13.02	0	290.323	0.553	2	5	7	CN(CCOCCO)C(=O)c1n[nH]nc1-c1ccccc1
214182674	ZINC000337619517	ref	1.18	-18.67	0	292.401	0.246	2	4	7	CCO[C@H](C)C(=O)N[C@H]1CCC[C@@H]1CNS(C)(=O)=O
214182679	ZINC000337618530	ref	6.3	-41.12	1	261.369	2.061	3	1	5	Cc1ccc([C@@H](C)NC(=O)NCC[NH+]2CCC2)cc1
214182683	ZINC000337618530	mid	3.11	-9.25	0	261.369	2.061	2	2	5	Cc1ccc([C@@H](C)NC(=O)NCCN2CCC2)cc1
214182685	ZINC000337619711	ref	6.68	-39.03	1	262.353	2.126	2	2	8	COCC[N@H+](CCC(=O)Nc1ccccc1)C1CC1
214182687	ZINC000337619711	mid	6.93	-39.95	1	262.353	2.126	2	2	8	COCC[N@@H+](CCC(=O)Nc1ccccc1)C1CC1
365631429	ZINC000617415073	high	3.66	-11.89	0	281.4	0.701	1	3	4	CC(C)CN1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O
365631435	ZINC000617414209	ref	5.95	-46.01	1	262.357	0.972	2	3	3	CN(C)c1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)ccn1
365631443	ZINC000617414209	mid	6.48	-48.49	1	262.357	0.972	2	3	3	CN(C)c1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccn1
365631446	ZINC000617414209	mid	3.52	-10.62	0	262.357	0.972	1	4	3	CN1CCC[C@@H](NC(=O)c2ccnc(N(C)C)c2)C1
230724144	ZINC000414276423	ref	5.88	-9.95	0	322.739	3.4	0	3	3	Cn1ncc(C[S@](=O)c2ccccc2Cl)c1C(F)(F)F
365631452	ZINC000617413190	ref	5.22	-46.21	1	293.342	0.766	3	2	4	C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1
365631458	ZINC000617413190	mid	4.69	-45.05	1	293.342	0.766	3	2	4	C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1
342594592	ZINC000616962812	ref	3.42	-19.22	0	292.31	1.039	2	3	5	C[C@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCNC1=O
365631462	ZINC000617413190	high	2.33	-9.15	0	293.342	0.766	2	3	4	CN1CCC[C@@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1
365631470	ZINC000617411590	ref	4.01	-47.88	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[N@H+](C)C1
230724159	ZINC000414275121	ref	7.47	-16.18	0	309.475	3.439	1	2	7	CCC[C@@H](NC(=O)C[S@](=O)CC(C)(C)C)c1ccccc1
230724162	ZINC000414277376	ref	8.71	-46.5	1	311.429	3.021	1	3	4	C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
349534303	ZINC000618812006	ref	4.75	-12.61	0	272.308	1.022	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc2c(c1)CCO2
365631476	ZINC000617411590	mid	3.49	-46.56	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[N@@H+](C)C1
365631477	ZINC000617411590	mid	1.12	-11.02	0	279.34	0.608	2	4	4	C[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCN(C)C1
365631482	ZINC000617411589	ref	4.01	-47.59	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[N@H+](C)C1
230724175	ZINC000414277449	ref	9.42	-20.0	0	321.384	3.338	1	6	4	Cc1cc2cc([C@@H](C)NCc3nc4ncccn4n3)oc2cc1C
230724177	ZINC000414277449	low	10.63	-45.56	1	321.384	3.338	1	5	4	Cc1cc2cc([C@@H](C)[NH2+]Cc3nc4ncccn4n3)oc2cc1C
349534307	ZINC000618811528	ref	5.01	-13.06	0	266.251	1.365	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(F)c(F)c1
342594593	ZINC000616961920	ref	3.63	-18.44	0	285.347	1.414	3	2	4	Cc1ccc2[nH]cc(CCC(=O)N[C@H]3CCNC3=O)c2c1
230724180	ZINC000414275785	ref	8.08	-16.42	0	307.459	3.111	1	2	8	CCCC[S@](=O)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1
187168704	ZINC000125080440	ref	6.71	-9.5	0	285.384	2.184	1	4	8	CCOC(=O)CC[C@H](C)NC(=O)CC[C@H]1CCCCO1
349534311	ZINC000618810454	ref	6.45	-12.06	0	288.376	1.663	0	5	3	CN(Cc1cn(C)nn1)C(=O)[C@H]1CSc2ccccc21
398248105	ZINC000651458706	ref	8.35	-7.42	0	262.397	3.293	1	1	1	C[C@H]1CC2(CCC2)CN1C(=O)NC1CC2(CCC2)C1
398248107	ZINC000651458069	ref	6.66	-7.12	0	274.286	3.327	1	3	6	C[C@H](COCC1CC1)Nc1cccc(C(F)(F)F)n1
136229076	ZINC000232473391	ref	6.84	-34.33	1	230.355	2.479	2	1	5	c1ccc([C@H](NC[C@@H]2CCC[NH2+]2)C2CC2)cc1
214182660	ZINC000053435705	high	1.65	-17.81	0	339.461	1.764	2	4	5	Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)C2CCCC2)c1C
365631440	ZINC000576584690	high	4.85	-7.67	0	240.391	2.415	1	2	7	CC(=O)NCCN(C)CCCC1CCCCC1
282121866	ZINC000151635123	ref	7.62	-13.22	0	313.401	2.017	0	3	3	Cc1cncc(/C=C/C(=O)N2CCC[C@H](N3CCCC3=O)C2)c1
214182662	ZINC000053435172	ref	8.17	-12.92	0	330.432	2.962	0	5	5	CCN(C[C@H]1CCCO1)C(=O)c1cc(C)nc2c1cnn2C(C)C
342087730	ZINC000621362492	ref	6.24	-13.88	0	288.273	1.837	1	4	2	CC(=O)N1CC[C@@H](Nc2nc(C)cc(C(F)(F)F)n2)C1
282121868	ZINC000151620185	ref	6.65	-13.15	0	305.422	2.102	0	4	6	CC[C@H](C)OCC(=O)N1CCN([C@H](C)c2cccnc2)CC1
282121870	ZINC000151620185	low	8.56	-50.55	1	305.422	2.102	1	3	6	CC[C@H](C)OCC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1
398248109	ZINC000651457398	ref	5.93	-5.95	0	274.286	3.327	1	3	6	C[C@@H](COCC1CC1)Nc1ccnc(C(F)(F)F)c1
282121872	ZINC000151632152	ref	3.1	-9.31	0	322.162	2.183	2	4	3	Cc1ncncc1C(=O)NCc1ccc(O)c(Br)c1
282121875	ZINC000151632152	high	3.87	-40.14	-1	322.162	2.183	1	4	3	Cc1ncncc1C(=O)NCc1ccc([O-])c(Br)c1
342087731	ZINC000625366677	ref	5.14	-16.78	0	274.324	1.228	0	5	3	CN(C[C@@H]1CCCOC1)C(=O)c1ccnc2ccnn12
342087732	ZINC000046784905	ref	7.03	-14.44	0	295.335	1.902	0	5	5	COC(=O)c1cc(CN(C)C(=O)C[C@@H]2CCCO2)oc1C
342087733	ZINC000600314106	ref	5.41	-14.08	0	281.247	1.352	1	6	5	Cn1cc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCF)c1
214182666	ZINC000053439273	ref	8.41	-34.85	1	345.35	4.111	2	2	6	C[C@H]1CCCC[C@H]1[N@H+](C)CCNCc1cc(Br)cs1
214182669	ZINC000053439273	mid	8.42	-34.99	1	345.35	4.111	2	2	6	C[C@H]1CCCC[C@H]1[N@@H+](C)CCNCc1cc(Br)cs1
214182678	ZINC000053420537	ref	7.27	-35.89	1	334.504	2.823	2	3	8	CC(C)C[NH+]1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1
214182680	ZINC000053420537	high	5.29	-5.67	0	334.504	2.823	1	4	8	CC(C)CN1CCN(C[C@@H](O)COc2ccccc2C(C)C)CC1
178299734	ZINC000237153190	mid	3.84	-54.68	1	360.437	1.374	2	5	6	CN(C)[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1
214182661	ZINC000293555601	ref	5.19	-13.84	0	374.401	0.285	1	8	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC(c2ccnn2C)CC1
214182664	ZINC000293543326	ref	3.36	-11.33	0	356.43	0.372	1	6	6	CCn1ncc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)n1
178299735	ZINC000237149046	ref	4.87	-51.17	1	357.458	1.941	1	5	7	C[NH2+]CCCC(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1
178299737	ZINC000237149617	ref	5.07	-44.9	1	358.435	1.798	2	4	6	COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1
214182668	ZINC000293543326	mid	5.57	-50.54	1	356.43	0.372	2	5	6	CCn1ncc(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1
214182671	ZINC000293545273	ref	1.08	-10.71	0	364.146	0.916	3	3	3	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(F)c(Br)c(F)c1
178299738	ZINC000237149617	high	4.89	-27.24	0	358.435	1.798	1	4	6	COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H](C[NH3+])C1CCCCC1
214182676	ZINC000293550948	ref	5.51	-43.37	1	365.434	0.526	3	6	6	CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C
349534312	ZINC000594968133	ref	8.6	-42.36	1	255.402	2.99	1	2	7	CC[C@H](C)CC[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C
178299740	ZINC000237138743	ref	4.39	-58.85	0	374.466	1.706	2	4	6	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1
214182681	ZINC000293550948	mid	5.27	-42.16	1	365.434	0.526	3	6	6	CC[C@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C
214182682	ZINC000293550948	high	2.99	-9.56	0	365.434	0.526	2	7	6	CC[C@H]1CCCCN1CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C
214182686	ZINC000293548143	ref	-0.5	-19.3	0	372.424	0.427	3	7	7	COC(=O)c1ccc(C(=O)NC[C@H](O)CS(=O)(=O)c2cccs2)[nH]1
214182691	ZINC000293550635	ref	1.04	-24.43	0	372.468	0.178	1	7	4	CC(=O)c1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cs1
214182694	ZINC000293549427	ref	8.54	-45.4	1	366.491	0.622	3	6	4	Cn1cnc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCCC2)n1
214182697	ZINC000293549427	high	6.76	-12.84	0	366.491	0.622	2	7	4	Cn1cnc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)n1
178299741	ZINC000237138743	mid	4.82	-86.02	2	374.466	1.706	1	4	6	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1
214182700	ZINC000293550303	ref	8.25	-41.79	1	371.441	0.889	2	6	5	COC(=O)c1ccc(C(=O)NCc2cccnc2N2CC[NH+](C)CC2)n1C
197591084	ZINC000162780168	ref	9.38	-22.7	0	303.391	2.374	1	6	4	CCSc1cc(C(=O)Nc2nnc3n2CCCC3)ccn1
365631449	ZINC000576584361	ref	0.88	-45.19	-1	244.272	0.017	2	6	4	Cc1nscc1C(=O)NC[C@](C)(O)C(=O)[O-]
365631456	ZINC000576587451	ref	6.87	-6.92	0	241.4	2.825	1	2	2	C[C@@H]1CC[C@@H](C(=O)NC2CCSCC2)CC1
365631464	ZINC000576584337	ref	2.54	-55.74	1	235.331	1.213	2	2	5	CC[C@@H]([NH3+])CNC(=O)C(C)(C)c1cccnc1
365631471	ZINC000576585276	ref	2.29	-10.51	0	249.274	-0.765	2	5	2	CNC(=O)C(=O)N1CC[C@@H](Nc2ncccn2)C1
342594594	ZINC000616961514	ref	3.12	-18.99	0	276.336	1.023	2	3	6	CCCOc1cccc(CC(=O)N[C@H]2CCNC2=O)c1
365631481	ZINC000576586493	ref	5.38	-6.22	0	239.359	2.496	1	2	4	CC(C)CC1(C(=O)N[C@H]2CO[C@@H](C)C2)CCC1
365631487	ZINC000576584648	ref	8.47	-38.98	1	247.382	3.21	1	1	7	COCC1(CC[NH2+]Cc2cc(C)ccc2C)CC1
349534313	ZINC000602429478	ref	6.69	-38.37	1	229.32	1.44	1	3	8	CCC[N@H+](CCC[C@@H]1CCO1)CC(=O)OC
365631500	ZINC000576585691	ref	6.28	-7.24	0	233.352	2.386	1	2	7	CCSCCCNC(=O)C1(CF)CCC1
342594595	ZINC000194378085	ref	4.76	-11.6	0	251.33	1.594	1	4	3	CCc1cc(NC(=O)[C@@H]2CCOC[C@@H]2C)n(C)n1
365631515	ZINC000343850442	ref	4.07	-6.57	0	227.348	2.09	2	2	6	CC(C)(C)C[C@@H](O)CNC(=O)CCC1CC1
365631541	ZINC000576586495	ref	5.36	-7.63	0	239.359	2.496	1	2	4	CC(C)CC1(C(=O)N[C@H]2CO[C@H](C)C2)CCC1
365631549	ZINC000576586923	ref	6.31	-52.96	-1	233.333	1.307	0	4	6	CC[C@@H](SC)C(=O)N(C)C[C@@H](C)C(=O)[O-]
365631559	ZINC000576586309	ref	1.75	-16.03	0	224.304	1.115	2	2	4	CC1=C(C)C[C@H](C(=O)NCCC(N)=O)CC1
365631584	ZINC000576586565	ref	3.9	-41.34	1	246.314	1.419	3	2	4	C[C@@H](C[C@@H](C)[NH3+])NC(=O)c1ccc2cc[nH]c2n1
365631596	ZINC000576586358	ref	5.0	-34.2	1	242.338	1.771	2	1	2	C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@H](F)C1
365631609	ZINC000576587268	ref	-2.43	-50.25	-1	242.231	-0.041	1	7	3	C[C@H](O)[C@H]1CN(c2nc(C(=O)[O-])co2)CCO1
365631621	ZINC000576584342	ref	2.54	-56.53	1	235.331	1.213	2	2	5	CC[C@H]([NH3+])CNC(=O)C(C)(C)c1cccnc1
262838558	ZINC000399546453	low	1.51	-37.43	1	218.26	0.359	2	3	4	Cc1cc(N[C@H](C)CC(N)=O)c(C#N)c[nH+]1
299072142	ZINC000351716122	high	4.04	-10.71	0	298.431	0.835	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)C(=O)N(C)C
365631631	ZINC000576585019	ref	4.16	-49.83	1	228.361	1.078	1	2	2	CC[C@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2)CCS1
365631642	ZINC000576584257	ref	5.72	-41.11	1	246.354	2.478	1	1	3	CC[C@@H]([NH3+])C(=O)N1CCCC[C@@H]1c1ccccc1
365631651	ZINC000576584257	high	5.38	-6.62	0	246.354	2.478	1	2	3	CC[C@@H](N)C(=O)N1CCCC[C@@H]1c1ccccc1
365631663	ZINC000576626520	ref	6.62	-98.39	2	208.349	1.764	2	0	4	C1CC(C[NH2+][C@@H]2CC[C@H]2C2CC2)CC[NH2+]1
214182684	ZINC000053435167	ref	8.77	-13.78	0	330.432	2.962	0	5	5	CCN(C[C@@H]1CCCO1)C(=O)c1cc(C)nc2c1cnn2C(C)C
178299743	ZINC000237138743	low	4.82	-86.02	2	374.466	1.706	2	3	6	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(S(=O)(=O)Nc2cc[nH+]cc2)cc1
365631453	ZINC000623063166	ref	4.68	-10.22	0	312.373	1.862	2	5	4	CCn1cc(C(=O)C(=O)N[C@H]2CCCc3cc(N)ccc32)cn1
398248110	ZINC000651457454	ref	6.24	-4.04	0	285.185	3.071	1	3	6	C[C@@H](COCC1CC1)Nc1cc(Br)ccn1
178299744	ZINC000237150294	ref	2.86	-12.82	0	366.487	1.838	1	6	7	COc1c(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)nn1C
178299745	ZINC000237150294	mid	3.96	-52.87	1	366.487	1.838	1	5	7	COc1c(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)nn1C
185087418	ZINC000096070572	ref	5.87	-12.2	0	299.33	2.062	0	5	2	O=C(c1ccco1)N1CC[C@@H]2O[C@@H](c3ccncn3)C[C@H]2C1
178299746	ZINC000237140613	ref	4.3	-51.77	1	351.472	1.264	2	3	5	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CC1CC[NH2+]CC1)CC2
214182688	ZINC000053421815	ref	3.29	-19.86	0	342.424	2.85	3	4	5	CC(C)[C@H](NC(=O)c1cc(C(N)=O)cs1)c1nc2ccccc2[nH]1
178299748	ZINC000237146414	ref	2.25	-57.48	1	354.476	1.307	3	4	6	CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1CC[NH2+]CC1
214182693	ZINC000053421817	ref	3.48	-16.63	0	342.424	2.85	3	4	5	CC(C)[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1nc2ccccc2[nH]1
214182695	ZINC000053441250	ref	7.22	-22.2	0	342.395	3.173	1	4	6	CCN(C[C@@H]1CCCO1)C(=O)c1cccc(NC(=O)c2ccco2)c1
214182702	ZINC000053441640	ref	6.35	-13.07	0	341.367	3.057	0	7	6	COC(=O)c1cc(CN(C)Cc2nc(-c3ccccc3)no2)oc1C
214182706	ZINC000053431827	ref	9.35	-40.06	1	339.302	4.616	2	2	6	C[C@@H](c1cccs1)[N@H+](C)CCNc1ccc(Br)cc1
214182709	ZINC000053431827	mid	9.37	-39.47	1	339.302	4.616	2	2	6	C[C@@H](c1cccs1)[N@@H+](C)CCNc1ccc(Br)cc1
214182711	ZINC000053431827	high	7.1	-3.11	0	339.302	4.616	1	3	6	C[C@@H](c1cccs1)N(C)CCNc1ccc(Br)cc1
214182714	ZINC000053433912	ref	9.41	-13.74	0	332.379	2.356	0	5	5	CCN(C[C@H]1CCCO1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
214182719	ZINC000053435099	ref	7.61	-42.81	1	327.266	3.36	2	2	4	C[C@H]1C[N@H+](CCNc2cccc(Br)c2)CC(C)(C)O1
214182721	ZINC000053435099	mid	7.56	-42.66	1	327.266	3.36	2	2	4	C[C@H]1C[N@@H+](CCNc2cccc(Br)c2)CC(C)(C)O1
214182723	ZINC000053435099	mid	5.59	-3.75	0	327.266	3.36	1	3	4	C[C@H]1CN(CCNc2cccc(Br)c2)CC(C)(C)O1
214182689	ZINC000337619711	high	4.31	-8.44	0	262.353	2.126	1	3	8	COCCN(CCC(=O)Nc1ccccc1)C1CC1
282952138	ZINC000345204711	ref	3.32	-49.24	1	324.425	1.529	1	6	8	CCN(Cc1noc(CCCC(=O)OC)n1)[C@H]1CCC[NH2+]CC1
361823253	ZINC000599876283	ref	4.24	-18.99	0	287.323	0.193	1	5	4	Cn1cc(N2C[C@@H](C(=O)NCC3(C#N)CC3)CC2=O)cn1
398248111	ZINC000649442332	ref	5.53	-8.86	0	223.226	2.728	0	3	2	Cc1nn(C)cc1-c1cncc(C(F)F)c1
214182690	ZINC000337616584	ref	4.16	-10.56	0	288.413	0.693	0	5	5	COC(=O)CN1CCN(C(=O)C(C)(C)CSC)CC1
299072144	ZINC000567662751	ref	5.76	-41.5	1	294.439	2.086	2	2	6	CCNC(=O)C1(C[NH2+][C@@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)CCC1
398249426	ZINC000650871670	ref	2.66	-11.0	0	284.4	1.463	2	3	4	C[C@@H](CO)C1CCN(C(=O)NC[C@@]2(C)CCOC2)CC1
342594596	ZINC000616961437	ref	3.16	-18.22	0	290.344	1.935	2	4	3	Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3=O)s2)o1
342594597	ZINC000194378126	ref	4.75	-12.38	0	251.33	1.594	1	4	3	CCc1cc(NC(=O)[C@H]2CCOC[C@H]2C)n(C)n1
342594598	ZINC000616961408	ref	2.04	-23.09	0	291.351	1.267	3	3	4	CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCNC2=O)c1C(C)C
342594599	ZINC000616961596	ref	4.03	-18.47	0	260.337	1.575	2	2	5	C[C@@H](CCC(=O)N[C@@H]1CCNC1=O)c1ccccc1
398249432	ZINC000650871915	ref	4.8	-15.65	0	299.44	1.297	2	3	5	CCN1C[C@H](CNC(=O)NCC2CCSCC2)CC1=O
214182696	ZINC000337616996	ref	4.62	-8.68	0	271.401	2.06	1	3	8	C[C@H](CC1CCCCC1)C(=O)N(C)CCOCCO
422733271	ZINC000629564703	low	3.51	-105.29	2	309.376	1.749	3	1	3	C[C@H](C(=O)NC(C)(C)C)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1
178299749	ZINC000237147519	ref	9.82	-92.25	2	359.518	1.442	2	3	7	C[NH2+]CCCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1
214182698	ZINC000337616587	ref	2.94	-13.32	0	283.328	-0.057	1	6	9	CCN(CCOCCO)C(=O)C(=O)c1cnn(CC)c1
214182701	ZINC000337615881	ref	4.74	-8.43	0	298.427	2.003	2	3	8	COCC[C@@H](C)NC(=O)[C@@H](C)NC(=O)CC1CCCCC1
214182720	ZINC000337617744	ref	5.08	-8.16	0	274.368	2.19	2	5	7	CCCC(O)(CCC)CNc1ncnc2ccncc12
214182726	ZINC000337618454	ref	3.98	-7.32	0	291.338	2.348	2	3	5	O=C(CC1(O)CCCC1)N[C@H]1CCCC[C@@H]1OC(F)F
214182729	ZINC000337619447	ref	9.47	-10.01	0	290.313	3.331	0	2	4	CCN(Cc1c(F)cccc1F)C(=O)c1cccc(C)n1
214182731	ZINC000337620060	ref	6.9	-13.5	0	298.321	2.249	1	5	5	COc1ccc(CCNc2ncnc3ccncc23)cc1F
214182733	ZINC000337617668	ref	6.07	-9.89	0	283.412	2.467	0	3	6	COCCOC1CN(C(=O)C[C@@H]2CCCCC2(C)C)C1
365631459	ZINC000274345457	ref	3.66	-10.35	0	291.355	1.388	2	4	3	C[C@H](NC(=O)Nc1cncnc1)C(=O)N1CCCC[C@@H]1C
342594600	ZINC000616961620	ref	3.39	-16.13	0	252.358	1.453	2	2	3	CC(C)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCNC2=O)CC1
342594601	ZINC000616961431	ref	3.57	-15.15	0	260.337	1.602	2	2	2	CC(C)(C)c1ccccc1C(=O)N[C@@H]1CCNC1=O
365631465	ZINC000274347489	ref	3.42	-5.63	0	279.38	1.805	1	4	6	COCc1cccc(CN2CCOC[C@@H]2C[C@@H](C)O)c1
365631468	ZINC000274347489	mid	4.45	-36.7	1	279.38	1.805	2	3	6	COCc1cccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)c1
365631474	ZINC000274347489	mid	4.61	-37.22	1	279.38	1.805	2	3	6	COCc1cccc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)c1
365639062	ZINC000354712352	mid	4.89	-12.11	0	274.324	1.027	3	4	5	CC(C)[C@H](O)C(=O)N[C@H](c1ccccc1)c1nnc[nH]1
365639068	ZINC000354711758	ref	0.66	-12.12	0	296.371	1.445	2	5	4	CC[C@]1(CO)CCCN(C(=O)Nc2cn(C)nc2OC)C1
230724184	ZINC000425417957	ref	5.26	-11.78	0	304.39	2.31	2	3	7	COCCOc1ccccc1CNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1
342594602	ZINC000616962008	ref	1.99	-15.63	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(F)cc(Cl)c1
197591102	ZINC000162779699	ref	5.8	-4.02	0	305.603	3.479	1	3	4	Clc1cnc(NCC[C@@H]2CCCO2)c(Br)c1
365639074	ZINC000354711648	ref	4.33	-11.05	0	279.34	1.117	2	5	7	COC(=O)[C@@H](C)CC(=O)NCCNc1cccc(C)n1
365639077	ZINC000354711648	mid	4.77	-34.25	1	279.34	1.117	2	4	7	COC(=O)[C@@H](C)CC(=O)NCCNc1cccc(C)[nH+]1
365639081	ZINC000354712120	ref	4.44	-18.93	0	287.319	1.05	1	5	5	Cn1ccc(CCNC(=O)Cc2ccc3c(c2)OCO3)n1
365639086	ZINC000354712355	ref	4.51	-13.59	0	274.324	1.027	3	4	5	CC(C)[C@@H](O)C(=O)N[C@H](c1ccccc1)c1nc[nH]n1
365639090	ZINC000354712355	mid	4.89	-11.51	0	274.324	1.027	3	4	5	CC(C)[C@@H](O)C(=O)N[C@H](c1ccccc1)c1nnc[nH]1
365639093	ZINC000354712557	ref	5.94	-15.2	0	287.363	1.72	1	4	7	COc1ccccc1CCC(=O)NCCc1ccn(C)n1
342594603	ZINC000616961600	ref	3.42	-17.31	0	282.29	1.463	2	2	4	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1F
365639096	ZINC000354712818	ref	8.78	-102.05	2	288.439	1.995	1	3	2	Cc1ccnc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1
342594604	ZINC000616961553	ref	2.64	-19.39	0	276.336	1.193	2	3	5	CC[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccc(OC)cc1
212165070	ZINC000335488349	ref	5.31	-48.72	1	265.744	2.063	2	2	2	O=C(Nc1cc(Cl)ccn1)[C@@]12CCC[C@@H]1C[NH2+]C2
212165073	ZINC000335489118	ref	7.36	-5.82	0	298.18	3.367	0	2	1	Cc1oc(Br)cc1C(=O)N1CCCC2(CC2)C1
365631460	ZINC000623062683	ref	2.58	-54.47	1	301.35	1.939	2	4	3	C[C@@]1(C[NH3+])CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
178299751	ZINC000237147519	high	7.85	-47.16	1	359.518	1.442	1	4	7	C[NH2+]CCCC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
178299752	ZINC000237141765	ref	2.79	-49.64	1	351.472	1.391	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[C@H]([NH3+])C1)CC2
365631466	ZINC000623061458	ref	5.07	-44.41	1	311.183	1.16	1	3	3	CN(C(=O)c1nc(C2CC2)ncc1Br)C1C[NH2+]C1
365631469	ZINC000623062169	ref	0.6	-50.25	1	316.361	1.209	4	3	4	[NH3+]C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)C1CCCC1
365631475	ZINC000623062169	high	-1.21	-71.32	0	316.361	1.209	3	3	4	[NH3+]C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)C1CCCC1
365631480	ZINC000623062658	ref	3.13	-54.55	1	323.393	1.915	2	4	5	COc1cc(NC(=O)N2CC[C@](C)(C[NH3+])C2)cc(OC)c1OC
365631485	ZINC000623062106	ref	1.36	-58.96	1	311.407	1.293	2	3	3	C[C@]1(C[NH3+])CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365631494	ZINC000623063531	ref	2.7	-9.19	0	318.402	1.642	1	6	3	COc1ccccc1[C@@H]1CNCCN1C(=O)c1nnc(C)s1
178299754	ZINC000237140042	ref	6.09	-52.39	1	368.275	1.523	2	2	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CC[NH2+]C1
178299756	ZINC000237141275	ref	2.79	-49.73	1	351.472	1.391	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)CC2
178299758	ZINC000237151166	ref	4.12	-39.93	1	360.195	1.767	2	2	5	COc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)c(I)c1
178299760	ZINC000237141396	ref	8.15	-72.25	-1	360.435	1.977	0	6	6	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2csc(Cc3ccccc3)n2)C1
282952140	ZINC000127639869	ref	3.14	-10.74	0	300.358	2.709	3	3	5	COc1cc(C)ccc1CNC(=O)NCc1cccc(O)c1
136229077	ZINC000232473391	low	7.83	-120.99	2	230.355	2.479	2	0	5	c1ccc([C@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1
365631503	ZINC000623063531	mid	4.0	-49.33	1	318.402	1.642	1	5	3	COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1nnc(C)s1
365631513	ZINC000623062593	ref	4.41	-49.79	1	324.182	1.055	1	4	2	[NH3+]C[C@@H]1CCCN1C(=O)c1nc2ccc(Br)cn2n1
365631521	ZINC000623061326	ref	2.95	-49.55	1	304.213	1.857	1	3	1	C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ncc(Br)s1
178299761	ZINC000237147918	ref	6.42	-101.82	2	374.464	1.512	3	4	7	Cc1c(C(=O)NCC[N@@H+](C)Cc2ccc(F)cc2)nnn1C1CC[NH2+]CC1
365631530	ZINC000623061816	ref	3.51	-48.87	1	324.356	1.965	2	4	3	C[C@]1(NC(=O)c2nnc(-c3c(F)cccc3F)s2)CC[NH2+]C1
262838559	ZINC000399546780	ref	2.49	-36.66	1	242.363	1.291	2	2	5	CC(C)[C@H](C(=O)NC[C@]1(C)CCCO1)[C@H](C)[NH3+]
342594605	ZINC000616961621	ref	3.39	-16.41	0	252.358	1.453	2	2	3	CC(C)[C@@H]1CC[C@@H](C(=O)N[C@H]2CCNC2=O)CC1
282121867	ZINC000425603523	ref	9.26	-40.47	1	270.376	2.616	1	1	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C1=CCC1
282121871	ZINC000425603523	high	7.64	-8.74	0	270.376	2.616	0	2	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)C1=CCC1
349534314	ZINC000618811309	ref	7.55	-9.83	0	276.384	1.99	0	4	4	CN(Cc1cn(C)nn1)C(=O)[C@H]1C[C@@H]1C1CCCCC1
398248112	ZINC000651457914	ref	7.2	-3.73	0	254.399	3.494	1	4	7	CC(C)c1cnc(N[C@H](C)COCC2CC2)s1
342594606	ZINC000616962788	ref	3.46	-15.59	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
398249427	ZINC000381272042	ref	0.74	-96.09	2	215.297	-0.924	3	2	5	C[C@H]1CC[NH2+]C[C@H]1NC(=O)COCC[NH3+]
212165076	ZINC000335489232	ref	6.26	-11.19	0	257.28	3.119	1	2	3	Cc1cc([C@@H](C)NC(=O)[C@]2(C)CC2(F)F)c(C)o1
212165080	ZINC000335488593	ref	6.55	-11.1	0	259.33	3.209	1	3	2	O=C1CC[C@H](C(=O)Nc2cccc3ccsc23)C1
212165087	ZINC000335488991	ref	5.94	-8.66	0	278.4	2.492	0	4	2	Cn1nncc1C(=O)N1CC[C@@H](CC(C)(C)C)C1(C)C
212165099	ZINC000335489162	ref	1.12	-13.61	0	255.224	0.647	2	3	2	Cc1[nH]c(C#N)cc1C(=O)N1CC(O)(C(F)F)C1
212165101	ZINC000335488430	ref	3.42	-10.63	0	280.374	2.409	0	4	2	C[C@H]1c2ccccc2CN1S(=O)(=O)c1cscn1
212165105	ZINC000335489360	ref	6.29	-38.96	1	282.79	3.368	1	1	2	C[C@@H](c1ccc(F)c(Cl)c1)N1CCC2(CC[NH2+]2)CC1
212165107	ZINC000335489360	low	8.32	-113.91	2	282.79	3.368	2	0	2	C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CC[NH2+]2)CC1
212165110	ZINC000335489288	ref	8.3	-11.2	0	296.37	3.183	0	3	2	O=C(c1occ2c1CCC2)N1CCC[C@@H](c2ccncc2)C1
212165114	ZINC000335488620	ref	3.11	-44.15	1	280.416	0.866	2	2	3	O=C(NCCN1CC[NH2+]CC1)N1CC[C@@H]2CCCC[C@@H]21
212165120	ZINC000335488397	ref	2.98	-8.43	0	272.395	2.096	0	4	2	O=S(=O)(c1cscn1)N1CCC[C@@H]2CCC[C@@H]21
212165122	ZINC000335488336	ref	3.19	-9.6	0	274.411	2.344	0	4	3	CC[C@H]1CCCN(S(=O)(=O)c2cscn2)CC1
212165126	ZINC000335488901	ref	4.05	-58.07	1	263.341	0.503	2	3	3	C[C@@H](NC(=O)c1cccc(=O)n1C)[C@@H]1CCC[NH2+]C1
212165136	ZINC000335488325	ref	4.78	-16.52	0	263.268	2.433	0	3	2	COC1(C)CN(C(=O)c2coc3ccc(F)cc23)C1
212165139	ZINC000335489364	ref	8.12	-46.84	1	286.419	2.394	1	1	3	CCc1ccccc1CC(=O)N1CCC2(CC[NH2+]CC2)C1
212165143	ZINC000335488603	ref	3.03	-47.33	1	253.346	0.559	2	2	2	O=C(NC1C[NH2+]C1)N1CCC[C@H]1[C@H]1CCCOC1
212165146	ZINC000335489314	ref	6.9	-11.88	0	275.27	3.393	0	2	2	Cc1occc1C(=O)N1CCC[C@@H](CC(F)(F)F)C1
349534315	ZINC000602429478	mid	6.68	-38.28	1	229.32	1.44	1	3	8	CCC[N@@H+](CCC[C@@H]1CCO1)CC(=O)OC
349534317	ZINC000602429478	mid	4.7	-6.36	0	229.32	1.44	0	4	8	CCCN(CCC[C@@H]1CCO1)CC(=O)OC
178299757	ZINC000002537086	ref	3.94	-9.06	0	205.183	2.111	1	3	0	Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2
349534320	ZINC000602429214	ref	6.01	-6.17	0	248.326	2.365	1	3	8	C=CCN(CC=C)Cc1ccc(C(=O)OCC)[nH]1
349534322	ZINC000602429214	mid	7.89	-42.22	1	248.326	2.365	2	2	8	C=CC[NH+](CC=C)Cc1ccc(C(=O)OCC)[nH]1
136229078	ZINC000137159940	ref	6.24	-4.74	0	229.323	2.147	0	2	1	C[C@H]1COC[C@H](C)N1CC#Cc1ccccc1
398248113	ZINC000651457949	ref	6.24	-4.39	0	285.185	3.071	1	3	6	C[C@@H](COCC1CC1)Nc1ccc(Br)cn1
214182703	ZINC000293550303	mid	5.88	-10.99	0	371.441	0.889	1	7	5	COC(=O)c1ccc(C(=O)NCc2cccnc2N2CCN(C)CC2)n1C
178299759	ZINC000359792015	ref	5.33	-9.68	0	241.294	3.385	2	3	3	Cc1cc2n[nH]cc2cc1NCc1occc1C
178299762	ZINC000045796192	ref	6.1	-64.3	-1	232.239	1.249	0	5	1	Cc1cc2nc(C(=O)[O-])c(=O)n(C)c2cc1C
214182705	ZINC000293541299	ref	7.42	-49.01	1	372.473	0.036	2	6	7	Cn1cnn(CCC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)c1=O
214182708	ZINC000293541299	mid	7.48	-51.21	1	372.473	0.036	2	6	7	CN1CC[NH+](Cc2ccc(CNC(=O)CCn3ncn(C)c3=O)cc2)CC1
214182712	ZINC000293541299	high	5.06	-16.08	0	372.473	0.036	1	7	7	CN1CCN(Cc2ccc(CNC(=O)CCn3ncn(C)c3=O)cc2)CC1
214182716	ZINC000293555638	ref	2.24	-22.37	0	355.46	0.905	3	4	7	CNC(=O)NCCC(=O)N[C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O
214182718	ZINC000293553792	ref	0.15	-18.69	0	361.367	0.247	0	6	2	C[C@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F
214182722	ZINC000293546651	ref	1.14	-24.25	0	370.356	0.814	4	4	11	O=C(NCCOCCOCCNC(=O)c1cc(F)c[nH]1)c1cc(F)c[nH]1
214182727	ZINC000293552685	ref	6.17	-11.94	0	361.402	0.621	2	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H](C)CCc1cccn1C
214182732	ZINC000293546325	ref	3.08	-48.68	1	362.474	0.866	5	3	7	CNC(=O)[C@H](C)NC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1
214182735	ZINC000293546325	high	0.74	-12.36	0	362.474	0.866	4	4	7	CNC(=O)[C@H](C)NC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1
214182739	ZINC000293550917	ref	3.7	-13.0	0	361.402	0.715	0	8	5	CCc1nc(CN2CCN(C(=O)c3ccc(C(=O)OC)n3C)CC2)no1
214182743	ZINC000293541455	ref	1.54	-15.0	0	356.448	0.897	3	6	9	CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ncc(COC)s1
178299763	ZINC000237147918	mid	6.41	-101.85	2	374.464	1.512	3	4	7	Cc1c(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)nnn1C1CC[NH2+]CC1
343993653	ZINC000599268417	low	5.2	-47.83	1	291.298	1.024	2	5	8	CCOC(=O)C[C@H](O)C[N@@H+](C)Cc1nccn1C(F)F
178299764	ZINC000237147918	mid	4.1	-53.7	1	374.464	1.512	2	5	7	Cc1c(C(=O)NCCN(C)Cc2ccc(F)cc2)nnn1C1CC[NH2+]CC1
178299765	ZINC000237152193	ref	2.73	-49.77	1	365.249	1.203	1	4	5	COC(=O)c1ccc(S(=O)(=O)N(C)[C@H](C)C[NH3+])c(Br)c1
343993656	ZINC000599269575	ref	4.21	-47.91	1	278.352	1.783	2	4	6	C[N@@H+](Cc1ccoc1)C[C@H](O)CC1(C#N)CCOCC1
214182725	ZINC000053439271	ref	8.37	-34.82	1	345.35	4.111	2	2	6	C[C@@H]1CCCC[C@H]1[N@H+](C)CCNCc1cc(Br)cs1
214182728	ZINC000053439271	mid	8.37	-35.05	1	345.35	4.111	2	2	6	C[C@@H]1CCCC[C@H]1[N@@H+](C)CCNCc1cc(Br)cs1
214182730	ZINC000053434810	ref	8.41	-14.54	0	330.428	2.063	0	3	6	CCN(C[C@H]1CCCO1)C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
343993660	ZINC000599269575	mid	4.24	-49.15	1	278.352	1.783	2	4	6	C[N@H+](Cc1ccoc1)C[C@H](O)CC1(C#N)CCOCC1
295666190	ZINC000151081090	ref	3.93	-10.76	0	294.442	0.622	0	4	4	CS[C@H]1CCCCN(C(=O)CN(C)S(C)(=O)=O)C1
300267248	ZINC000364046179	low	3.82	-55.04	0	285.344	-1.066	1	5	2	C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C(=O)[O-]
349534316	ZINC000594966856	ref	8.07	-50.8	1	268.364	2.625	1	3	4	Cc1nn(C)cc1C[NH2+]C(C)(C)c1cccc(C#N)c1
178299767	ZINC000237140700	ref	5.01	-57.41	1	365.499	1.654	2	3	6	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)CCC1CC[NH2+]CC1)CC2
214182734	ZINC000053420159	ref	6.1	-15.29	0	344.455	2.38	1	4	9	CCN(CC)C(=O)CN(C)C[C@H](O)COc1cccc2ccccc12
214182737	ZINC000053420159	mid	8.4	-45.46	1	344.455	2.38	2	3	9	CCN(CC)C(=O)C[N@H+](C)C[C@H](O)COc1cccc2ccccc12
214182741	ZINC000053420159	mid	8.41	-48.1	1	344.455	2.38	2	3	9	CCN(CC)C(=O)C[N@@H+](C)C[C@H](O)COc1cccc2ccccc12
214182753	ZINC000053425837	ref	2.16	-18.6	0	332.429	2.354	3	4	6	Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)CCNC(N)=O
214182758	ZINC000053422155	ref	8.08	-11.11	0	329.835	2.95	0	5	6	CN(Cc1cnn(Cc2ccccc2)c1)Cc1ncc(Cl)n1C
214182762	ZINC000053430373	ref	8.23	-9.59	0	343.427	2.619	0	5	5	CCN(C[C@H]1CCCO1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12
214182769	ZINC000053417850	ref	2.54	-20.82	0	342.355	1.566	3	4	5	C[C@@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(N2CCNC2=O)c1
365631463	ZINC000354698818	ref	6.29	-9.79	0	285.384	1.584	1	4	5	CC(C)OC(=O)C[C@H]1CCCN(C(=O)[C@@H](O)C(C)C)C1
365631473	ZINC000354697982	ref	3.71	-10.14	0	251.273	1.691	1	3	7	O=C(COC(F)F)NCCC[C@H]1CCCCO1
178299768	ZINC000237150942	ref	3.53	-53.79	1	374.466	1.706	2	4	5	C[NH2+]C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)CC1
178299770	ZINC000237150942	mid	3.56	-73.63	0	374.466	1.706	1	4	5	C[NH2+]C1CCN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccncc3)cc2)CC1
282121873	ZINC000113515169	ref	3.52	-41.92	1	296.415	-0.391	2	3	6	C[NH+](C)C[C@@H]1CCN(CC(=O)NCC(=O)N2CCCC2)C1
178299772	ZINC000237150942	low	3.99	-97.67	2	374.466	1.706	2	3	5	C[NH2+]C1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cc[nH+]cc3)cc2)CC1
282121882	ZINC000371639548	ref	7.0	-45.98	1	277.416	1.388	1	4	4	C[NH+](C)C[C@@H]1CCN(Cc2nnc3n2CCCCC3)C1
365631479	ZINC000354698963	ref	2.53	-12.71	0	289.319	1.816	1	3	6	CC[C@@H](CC(F)(F)F)NS(=O)(=O)C[C@H]1CCCO1
365631483	ZINC000354699264	ref	3.46	-10.24	0	261.387	1.665	1	3	7	O=S(=O)(CC1CC1)NCCC[C@@H]1CCCCO1
398248114	ZINC000651457961	ref	8.51	-7.39	0	299.374	3.496	1	5	8	C[C@@H](COCC1CC1)Nc1nccc(Oc2ccccc2)n1
178299773	ZINC000237147581	ref	1.25	-56.01	1	354.476	1.435	3	4	6	CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1
398248115	ZINC000651457435	ref	8.63	-8.63	0	274.339	3.231	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2c(F)cccc21
365631497	ZINC000354697737	ref	-0.29	-11.7	0	298.408	1.248	2	4	5	C[C@@H](O)CCCN1CCCc2ccc(S(N)(=O)=O)cc21
178299776	ZINC000237147825	ref	1.29	-58.62	1	354.476	1.435	3	4	6	CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1
178299779	ZINC000237149811	ref	8.26	-45.44	-1	358.316	1.597	0	4	5	CN1C[C@H](C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CC1=O
365631507	ZINC000354699523	ref	7.01	-42.88	1	298.427	1.369	0	4	5	CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CN(CC)CCO2)C1(C)C
178299782	ZINC000237148822	ref	1.98	-12.79	0	352.46	1.277	1	6	7	COc1c(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c(C)nn1C
365631518	ZINC000354699523	mid	7.17	-50.01	1	298.427	1.369	1	3	5	CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1(C)C
365631526	ZINC000354699523	mid	7.17	-50.01	1	298.427	1.369	1	3	5	CCO[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1(C)C
398248116	ZINC000651458489	ref	9.4	-8.02	0	284.403	3.395	1	1	1	Cc1cccc2c1CN(C(=O)NC1CC3(CCC3)C1)CC2
282121887	ZINC000425611882	ref	8.98	-36.99	1	314.429	2.323	1	2	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1C[C@@]12CCOC2
178299769	ZINC000026420130	ref	3.01	-7.35	0	238.088	2.283	1	3	0	Cc1cc2nc(Br)ccc2nc1N
178299771	ZINC000057998331	ref	5.95	-9.84	0	226.283	2.58	1	3	1	Cc1cc2nc(-c3ccnn3C)[nH]c2cc1C
365631486	ZINC000617411589	mid	3.48	-45.82	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCC[N@@H+](C)C1
365631493	ZINC000617411589	mid	1.12	-11.15	0	279.34	0.608	2	4	4	C[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCN(C)C1
365631504	ZINC000617413644	ref	5.31	-44.27	1	289.379	0.935	3	2	4	Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCC[N@@H+](C)C1
365631510	ZINC000617413644	mid	5.84	-45.32	1	289.379	0.935	3	2	4	Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCC[N@H+](C)C1
178299778	ZINC000036243838	ref	7.32	-10.07	0	241.269	3.031	1	3	1	Cc1cc2nc(-c3ccc(F)cc3)cn2cc1N
365631514	ZINC000617413644	high	2.94	-9.45	0	289.379	0.935	2	3	4	Cc1ccccc1C(=O)NCC(=O)N[C@H]1CCCN(C)C1
365631523	ZINC000617413862	ref	5.22	-47.54	1	293.342	0.766	3	2	4	C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(F)c2)C1
168364645	ZINC000368496216	mid	8.38	-46.87	1	347.418	3.308	1	4	6	c1ccc(-c2noc([C@H]([NH2+]C[C@H]3[C@@H]4COC[C@H]34)c3ccccc3)n2)cc1
365631533	ZINC000617413862	mid	4.69	-46.64	1	293.342	0.766	3	2	4	C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)c2cccc(F)c2)C1
365631540	ZINC000617413862	high	2.33	-10.66	0	293.342	0.766	2	3	4	CN1CCC[C@@H](NC(=O)CNC(=O)c2cccc(F)c2)C1
365631548	ZINC000617413577	ref	2.5	-10.86	0	278.356	0.43	1	5	3	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCCN(C)C1
365631557	ZINC000617413577	mid	4.86	-45.65	1	278.356	0.43	2	4	3	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC[N@H+](C)C1
365631564	ZINC000617413577	mid	5.38	-46.06	1	278.356	0.43	2	4	3	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@@H]1CCC[N@@H+](C)C1
168364647	ZINC000368498659	ref	7.17	-19.41	0	349.496	3.375	0	3	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H]1CCS(=O)(=O)c2ccccc21
365631571	ZINC000617414805	ref	5.58	-52.95	1	259.313	0.553	2	4	2	C[N@@H+]1CCC[C@@H](NC(=O)c2cnn3cccnc23)C1
178299781	ZINC000036243838	low	7.76	-28.58	1	241.269	3.031	1	2	1	Cc1cc2[nH+]c(-c3ccc(F)cc3)cn2cc1N
398248117	ZINC000651457960	ref	8.52	-7.36	0	299.374	3.496	1	5	8	C[C@H](COCC1CC1)Nc1nccc(Oc2ccccc2)n1
398248118	ZINC000651458877	ref	9.58	-8.01	0	284.403	3.395	1	1	1	Cc1ccc2c(c1)CCN(C(=O)NC1CC3(CCC3)C1)C2
168365952	ZINC000041053863	low	2.62	-114.21	2	186.299	0.833	2	1	3	C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCOCC1
365631576	ZINC000617414805	mid	5.05	-50.78	1	259.313	0.553	2	4	2	C[N@H+]1CCC[C@@H](NC(=O)c2cnn3cccnc23)C1
342594607	ZINC000616961566	ref	4.05	-16.12	0	260.337	1.178	2	2	4	Cc1ccc(C[C@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
282121876	ZINC000247161976	ref	6.84	-52.15	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CCC[N@H+]3C[C@H]1C)CC2
349534318	ZINC000594966856	mid	6.98	-9.04	0	268.364	2.625	1	4	4	Cc1nn(C)cc1CNC(C)(C)c1cccc(C#N)c1
214182740	ZINC000337617196	ref	-1.58	-12.43	0	289.376	-0.329	2	5	10	COCCOCCNC(=O)NCCCN1CCOCC1
299072145	ZINC000459273594	ref	8.19	-13.99	0	323.481	2.855	1	2	5	CCC[C@H](NC(=O)N1CCN(C(=O)C(C)C)CC1)C1CCCC1
214182742	ZINC000337617196	mid	0.83	-47.07	1	289.376	-0.329	3	4	10	COCCOCCNC(=O)NCCC[NH+]1CCOCC1
299072149	ZINC000459274044	ref	9.35	-43.38	1	319.449	2.569	2	2	6	COc1ccccc1CN(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1
342594608	ZINC000616961524	ref	4.11	-20.54	0	290.363	1.547	2	3	4	CC(C)(C)O[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
398248119	ZINC000651458892	ref	8.48	-10.1	0	299.418	3.303	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC(c2ccncc2)CC1
398248120	ZINC000651458806	ref	7.25	-9.29	0	290.329	3.301	1	1	1	C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC1CC2(CCC2)C1
197591101	ZINC000290090089	ref	4.76	-14.74	0	278.312	1.088	1	6	6	CCc1ccc([C@H](COC)NC(=O)c2ncn(C)n2)o1
214182745	ZINC000337617752	ref	9.04	-8.94	0	297.402	3.023	1	3	6	CC[C@H]1C[C@]1(NC(=O)CCn1cccn1)c1cccc(C)c1
214182747	ZINC000337620340	ref	7.11	-42.91	1	287.407	2.111	3	1	5	O=C(NCC[NH+]1CCC1)NC[C@@H]1CCCc2ccccc21
214182749	ZINC000337620340	mid	3.93	-10.55	0	287.407	2.111	2	2	5	O=C(NCCN1CCC1)NC[C@@H]1CCCc2ccccc21
214182751	ZINC000337619810	ref	1.88	-24.66	0	284.291	-0.019	3	4	5	C[C@@H](NC(=O)Nc1cccn(C)c1=O)C(=O)NCCF
214182755	ZINC000337619856	ref	0.04	-11.61	0	260.334	0.063	2	4	7	COCCOCCNC(=O)N1CCC(CO)CC1
214182761	ZINC000337616328	ref	7.14	-8.86	0	280.412	2.282	0	2	2	C[C@H]1CN(C(=O)CC2CCC(C)(C)CC2)CC(=O)N1C
214182768	ZINC000337617916	ref	2.34	-9.14	0	259.346	0.801	1	4	8	C[C@@H]1CC[C@@H](CCC(=O)N(C)CCOCCO)O1
214182771	ZINC000337619296	ref	6.31	-9.6	0	283.343	2.445	1	3	8	CC[C@@H](C)OCC(=O)N[C@@H](COC)c1ccc(F)cc1
214182774	ZINC000337619355	ref	7.87	-12.57	0	277.372	2.019	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2CC2(C)C)n1
214182778	ZINC000337615710	ref	4.68	-11.49	0	265.357	2.448	2	2	5	CCCC[C@@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1
214182781	ZINC000337615710	high	4.56	-39.27	-1	265.357	2.448	1	2	5	CCCC[C@@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1
365631488	ZINC000641598244	ref	3.21	-17.23	0	257.293	1.849	1	5	3	Cc1nc(C)c(CNc2ccc3c(n2)C(=O)CC3)o1
342087734	ZINC000600314023	ref	6.21	-12.58	0	276.292	1.908	0	4	2	Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC2(CCCO2)C1
365631502	ZINC000641598739	ref	2.93	-7.64	0	252.358	1.861	2	4	8	COCC(C)(C)CCCNc1cc(CO)ccn1
365631509	ZINC000641598739	low	3.41	-31.79	1	252.358	1.861	2	3	8	COCC(C)(C)CCCNc1cc(CO)cc[nH+]1
365631517	ZINC000641598105	ref	-0.59	-14.11	0	273.358	1.147	1	4	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)N1CCC1
230724234	ZINC000414277994	ref	5.07	-17.8	0	317.838	3.144	1	3	7	CCCC[S@](=O)CC(=O)Nc1cc(C)c(Cl)cc1OC
365631529	ZINC000641598206	ref	6.44	-14.54	0	260.341	1.056	1	4	4	CC(=O)N1CC[C@H](CNc2cc(C3CC3)ncn2)C1
342087735	ZINC000600314306	ref	3.94	-16.81	0	265.265	1.071	0	5	2	COC(=O)c1coc(C(=O)N2CC3(CCCO3)C2)c1
365631536	ZINC000641598777	ref	3.57	-15.46	0	296.392	1.142	1	3	4	CC(=O)N1CC[C@@H](CNS(=O)(=O)c2ccccc2C)C1
365631547	ZINC000641597292	ref	4.0	-21.61	0	269.304	1.079	1	4	2	O=C(c1cccc(-n2cccn2)c1)N1C[C@H]2C[C@@]2(O)C1
230724246	ZINC000414275120	ref	7.47	-15.25	0	309.475	3.439	1	2	7	CCC[C@@H](NC(=O)C[S@@](=O)CC(C)(C)C)c1ccccc1
365631562	ZINC000641598331	ref	4.51	-13.73	0	263.316	1.669	0	3	2	O=C([C@@H]1CCN(c2ccncc2F)C1)N1CCCC1
365631568	ZINC000641598331	low	4.98	-46.12	1	263.316	1.669	0	2	2	O=C([C@@H]1CCN(c2cc[nH+]cc2F)C1)N1CCCC1
365631578	ZINC000641598495	ref	5.12	-9.86	0	263.312	1.597	1	2	3	C[C@H](Cc1ccccc1F)C(=O)N1C[C@@H]2C[C@]2(O)C1
342087736	ZINC000600314301	ref	6.31	-17.07	0	289.331	1.407	0	4	3	COC(=O)c1ccccc1CC(=O)N1CC2(CCCO2)C1
230724260	ZINC000414277645	ref	8.62	-47.28	1	318.461	3.244	1	2	8	C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(C(=O)N(C)C)cc1
342087737	ZINC000600314661	ref	5.66	-67.23	-1	278.264	1.305	0	5	2	O=C(c1cccc([N+](=O)[O-])c1[O-])N1CC2(CCCO2)C1
342087738	ZINC000622702291	ref	3.09	-13.84	0	286.784	1.586	2	3	5	O=C(CCc1cc(Cl)cs1)NC[C@H]1CNC(=O)C1
365631588	ZINC000641598619	ref	3.28	-15.69	0	283.331	1.215	2	5	5	O=C1CCc2ccc(NC[C@@H](CO)c3cccnc3)nc21
365631608	ZINC000641599994	ref	4.43	-10.08	0	287.359	1.71	1	3	3	COc1ccc(C2(C(=O)N3C[C@H]4C[C@@]4(O)C3)CCC2)cc1
365631620	ZINC000641597274	ref	4.03	-13.99	0	253.248	1.101	1	2	2	O=C(Cc1ccc(F)c(F)c1)N1C[C@@H]2C[C@]2(O)C1
342087739	ZINC000600314112	ref	5.49	-11.22	0	269.276	1.134	1	5	6	CCOC(=O)C1(C(=O)Nc2cnn(CCF)c2)CC1
342087740	ZINC000600314494	ref	4.96	-18.99	0	271.292	1.38	1	5	7	COC(=O)C[C@H](C)CC(=O)Nc1cnn(CCF)c1
342087741	ZINC000622702296	ref	1.8	-17.62	0	282.727	1.215	2	3	4	COc1ccc(C(=O)NC[C@H]2CNC(=O)C2)c(Cl)c1
342087742	ZINC000600314283	ref	5.56	-15.84	0	292.291	1.608	0	5	3	COc1cc(C(=O)N2CC3(CCCO3)C2)ccc1[N+](=O)[O-]
342087743	ZINC000622702297	ref	1.81	-17.63	0	282.727	1.215	2	3	4	COc1ccc(C(=O)NC[C@@H]2CNC(=O)C2)c(Cl)c1
342087744	ZINC000625366684	ref	8.4	-43.75	1	256.353	1.724	1	3	3	Cc1ccc2c(c1)CC[N@@H+](CCc1cn(C)nn1)C2
342087745	ZINC000625366684	mid	8.4	-43.31	1	256.353	1.724	1	3	3	Cc1ccc2c(c1)CC[N@H+](CCc1cn(C)nn1)C2
349534319	ZINC000618812574	ref	3.06	-10.82	0	292.408	1.844	2	4	4	Cc1cscc1CNC(=O)NC1CCN(CC#N)CC1
214182752	ZINC000293541391	ref	2.09	-14.7	0	353.85	0.828	2	4	5	CC(=O)N1CCN(CCNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)CC1
185087421	ZINC000096072092	ref	4.15	-10.49	0	290.363	1.739	0	4	4	COCC[C@H]1CO[C@@]2(CCN(C(=O)c3cccnc3)C2)C1
214182754	ZINC000293541391	low	4.35	-56.25	1	353.85	0.828	3	3	5	CC(=O)N1CC[NH+](CCNC(=O)[C@@](C)(O)c2ccc(Cl)cc2)CC1
214182756	ZINC000293549692	ref	2.82	-15.12	0	358.192	0.334	1	5	3	CCOC1CN(C(=O)C(=O)Nc2cc(Br)c(=O)n(C)c2)C1
214182759	ZINC000293548065	ref	9.24	-25.74	0	357.414	0.625	0	6	5	Cc1ccc(C(=O)N2CCN(C(=O)COCc3nncn3C)CC2)cc1
214182763	ZINC000293551029	ref	1.63	-59.45	1	368.415	0.375	2	5	3	Cc1c(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]
214182765	ZINC000293555256	ref	1.91	-18.94	0	354.354	0.728	1	5	4	CCC(=O)N1CC[C@H](NS(=O)(=O)c2cn(C)nc2C(F)(F)F)C1
214182767	ZINC000293555256	mid	1.65	-46.77	-1	354.354	0.728	0	5	4	CCC(=O)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1
214182770	ZINC000293551041	ref	-0.21	-15.33	0	365.386	0.343	3	6	5	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCC[C@H](OCCO)C2)c1
214182773	ZINC000293548074	ref	2.98	-15.94	0	362.429	0.361	1	8	8	COC(=O)CSCCNS(=O)(=O)c1cnc(C)c(C(=O)OC)c1
214182775	ZINC000293546357	ref	5.09	-47.8	1	356.444	0.944	1	5	6	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CC[C@@H]([NH+](C)C)C2)c1
214182777	ZINC000293546357	mid	2.7	-11.3	0	356.444	0.944	0	6	6	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CC[C@@H](N(C)C)C2)c1
214182780	ZINC000293546908	ref	0.45	-16.18	0	365.333	0.192	2	4	3	CS(=O)(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)C1
299072147	ZINC000354603672	ref	1.49	-29.16	0	340.424	0.11	3	4	7	CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCN(C2CCOCC2)C1=O
214182776	ZINC000053424440	ref	6.95	-14.2	0	337.449	1.026	1	6	8	C=CCn1c(SCC(=O)N[C@@H](C)C(=O)N(C)C)nnc1C1CC1
214182779	ZINC000053430107	ref	5.77	-9.92	0	349.45	1.835	0	4	6	O=C(CN1CCN(CCOc2ccc(F)cc2)CC1)N1CCCCC1
365631489	ZINC000172881853	ref	2.63	-48.13	-1	299.396	1.363	0	4	4	C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1ncc[n-]1
342594609	ZINC000616962071	ref	4.27	-18.82	0	278.327	1.399	2	2	5	C[C@H](CCc1cccc(F)c1)C(=O)N[C@@H]1CCNC1=O
342594610	ZINC000616961948	ref	4.49	-17.36	0	272.348	1.404	2	2	4	O=C1NCC[C@H]1NC(=O)C1(Cc2ccccc2)CCC1
342594611	ZINC000616962814	ref	3.42	-18.68	0	292.31	1.039	2	3	5	C[C@@H](CC(=O)c1ccccc1F)C(=O)N[C@@H]1CCNC1=O
214182782	ZINC000053430107	low	8.08	-43.27	1	349.45	1.835	1	3	6	O=C(CN1CC[NH+](CCOc2ccc(F)cc2)CC1)N1CCCCC1
214182785	ZINC000053430107	low	7.94	-40.8	1	349.45	1.835	1	3	6	O=C(C[NH+]1CCN(CCOc2ccc(F)cc2)CC1)N1CCCCC1
398248121	ZINC000651458705	ref	8.35	-7.44	0	262.397	3.293	1	1	1	C[C@@H]1CC2(CCC2)CN1C(=O)NC1CC2(CCC2)C1
398248122	ZINC000651458419	ref	5.96	-7.35	0	278.318	3.349	2	1	3	CC(C)(CC(F)(F)F)NC(=O)NC1CC2(CCC2)C1
187168705	ZINC000125080352	ref	9.51	-71.12	-1	291.347	2.086	0	4	4	Cc1cccc(OCC(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])c1
398248123	ZINC000651457993	ref	8.11	-8.01	0	294.439	3.167	1	2	4	COCC[C@@H]1CCCCN(C(=O)NC2CC3(CCC3)C2)C1
398248124	ZINC000651457860	ref	9.12	-7.61	0	296.374	3.338	2	4	6	C[C@@H](COCC1CC1)Nc1ncnc2[nH]c3ccccc3c12
214182797	ZINC000053433734	ref	5.44	-5.67	0	337.851	2.07	1	3	3	CC(C)NC(=O)C(=O)N1CCN([C@H](C)c2ccccc2Cl)CC1
214182800	ZINC000053433734	low	7.24	-37.73	1	337.851	2.07	2	2	3	CC(C)NC(=O)C(=O)N1CC[NH+]([C@H](C)c2ccccc2Cl)CC1
214182802	ZINC000053411235	ref	10.97	-14.14	0	340.452	2.871	1	5	8	O=C(CCn1cncn1)NCCSCc1cccc2ccccc12
197591111	ZINC000290091174	ref	3.29	-15.14	0	260.297	0.798	2	5	4	C[C@@H](O)c1ccc(CNC(=O)c2ncn(C)n2)cc1
214182806	ZINC000053425493	ref	6.19	-22.59	0	328.401	1.982	1	7	5	Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)Cn1cnnn1
398248125	ZINC000651457860	low	9.48	-31.33	1	296.374	3.338	2	3	6	C[C@@H](COCC1CC1)Nc1[nH+]cnc2[nH]c3ccccc3c12
136229079	ZINC000137159940	low	8.25	-32.84	1	229.323	2.147	1	1	1	C[C@H]1COC[C@H](C)[NH+]1CC#Cc1ccccc1
178299785	ZINC000237148822	mid	3.33	-56.41	1	352.46	1.277	1	5	7	COc1c(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c(C)nn1C
178299788	ZINC000237141048	ref	5.37	-51.01	1	353.488	1.136	1	3	6	C[NH2+]CCCC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
178299790	ZINC000237148695	ref	6.78	-59.37	-1	369.215	1.559	1	4	5	CN1C[C@@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O
178299791	ZINC000237139815	ref	3.17	-47.04	1	365.499	1.522	3	3	6	CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1
282121878	ZINC000151626715	ref	5.04	-13.33	0	306.406	2.041	2	3	8	COC[C@H](NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(C)C
136229080	ZINC000232473080	ref	3.63	-37.02	1	248.326	1.299	2	3	4	c1cc2c(cc1CNC[C@@H]1CCC[NH2+]1)OCCO2
342594612	ZINC000616961634	ref	2.83	-18.44	0	288.347	1.199	2	3	3	O=C(N[C@H]1CCNC1=O)c1ccc([C@H]2CCCOC2)cc1
342594613	ZINC000616962017	ref	4.08	-18.81	0	280.393	1.692	2	3	5	Cc1cc(CCCC(=O)N[C@H]2CCNC2=O)c(C)s1
342594614	ZINC000616961599	ref	3.42	-19.69	0	282.29	1.463	2	2	4	C[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1F
178299794	ZINC000237138910	ref	3.6	-9.07	0	358.442	1.443	2	5	8	COCCn1nc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)ccc1=O
214182783	ZINC000337619012	ref	2.47	-10.52	0	280.368	0.586	1	4	9	CN(CC(=O)N(C)CCOCCO)Cc1ccccc1
342594615	ZINC000616962021	ref	4.68	-18.75	0	285.347	1.116	2	3	4	Cn1cc(CCC(=O)N[C@H]2CCNC2=O)c2ccccc21
342594616	ZINC000194378100	ref	4.93	-12.01	0	251.33	1.594	1	4	3	CCc1cc(NC(=O)[C@H]2CCOC[C@@H]2C)n(C)n1
214182786	ZINC000337619012	mid	5.16	-43.65	1	280.368	0.586	2	3	9	CN(CCOCCO)C(=O)C[N@H+](C)Cc1ccccc1
214182787	ZINC000337619012	mid	5.16	-43.7	1	280.368	0.586	2	3	9	CN(CCOCCO)C(=O)C[N@@H+](C)Cc1ccccc1
214182793	ZINC000337618593	ref	4.45	-44.46	1	287.31	2.36	3	2	6	C[C@H](CNC(=O)Nc1ccccc1OC(F)F)[NH+](C)C
214182794	ZINC000337618593	high	2.18	-9.07	0	287.31	2.36	2	3	6	C[C@H](CNC(=O)Nc1ccccc1OC(F)F)N(C)C
214182798	ZINC000337618127	ref	2.66	-21.59	0	275.349	-0.231	1	4	9	COCCN(CCOC)C(=O)NCCC(=O)N(C)C
214182804	ZINC000337617046	ref	4.12	-14.73	0	281.356	0.808	1	5	7	C[C@@H](CO)N(CC1CCC1)C(=O)COc1cnn(C)c1
214182807	ZINC000337616296	ref	3.71	-9.87	0	287.31	2.307	2	3	4	Cc1[nH]nc(C(=O)N[C@@H]2CCCC[C@@H]2OC(F)F)c1C
214182810	ZINC000337616296	mid	3.74	-8.7	0	287.31	2.307	2	3	4	Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2OC(F)F)c1C
214182811	ZINC000337615376	ref	4.78	-10.0	0	281.368	2.042	2	3	6	CSCC[C@@H](O)C(=O)NC[C@H]1CCCC(F)(F)C1
365631490	ZINC000336549336	ref	7.07	-13.04	0	291.416	2.158	0	2	1	C[C@H]1CCN(C(=O)c2ccc3c(c2)CCC3)CC[S@]1=O
342594617	ZINC000616962037	ref	1.22	-18.96	0	288.225	1.204	2	3	3	O=C(N[C@H]1CCNC1=O)c1cccc(OC(F)(F)F)c1
365631498	ZINC000336549984	ref	3.65	-20.44	0	258.252	2.129	1	3	1	O=C(c1ccc(O)cc1F)N1CCc2ccncc21
365631508	ZINC000336549984	mid	4.42	-49.44	-1	258.252	2.129	0	3	1	O=C(c1ccc([O-])cc1F)N1CCc2ccncc21
365631516	ZINC000336549996	ref	2.83	-8.0	0	289.422	2.156	1	4	4	CCc1ccc(S(=O)(=O)N[C@]2(C)CCO[C@@H]2C)s1
342594618	ZINC000616961407	ref	2.05	-21.52	0	291.351	1.267	3	3	4	CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCNC2=O)c1C(C)C
342594619	ZINC000616961503	ref	3.17	-15.65	0	264.35	1.165	2	3	3	Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCNC1=O
365631527	ZINC000336549423	ref	5.01	-11.77	0	275.308	2.051	2	4	2	C[C@H]1CC[C@H]1NC(=O)Nc1cccc2c1oc(=O)n2C
342594620	ZINC000616961476	ref	0.94	-18.4	0	288.225	1.029	3	3	2	O=C(N[C@@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1O
282121880	ZINC000151626550	ref	5.14	-13.66	0	306.406	2.041	2	3	8	COC[C@H](NC(=O)C[C@H](NC(C)=O)c1ccccc1)C(C)C
342594621	ZINC000616961476	mid	1.95	-62.97	-1	288.225	1.029	2	3	2	O=C(N[C@@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1[O-]
365631538	ZINC000336549426	ref	5.58	-12.46	0	271.324	2.187	2	4	3	C[C@H]1CC[C@H]1NC(=O)Nc1ccc(-n2cccn2)nc1
342594622	ZINC000616962012	ref	3.4	-19.81	0	268.357	1.119	2	3	5	CC[C@H](OC1CCCCC1)C(=O)N[C@H]1CCNC1=O
342594623	ZINC000616961921	ref	3.63	-19.84	0	285.347	1.414	3	2	4	Cc1ccc2[nH]cc(CCC(=O)N[C@@H]3CCNC3=O)c2c1
230724247	ZINC000450370417	ref	8.83	-12.44	0	323.352	1.882	0	5	2	COC(=O)c1ccc2c(c1)CN(C(=O)c1ccc(C#N)n1C)CC2
342594624	ZINC000616961565	ref	4.05	-16.41	0	260.337	1.178	2	2	4	Cc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
230724249	ZINC000450372212	ref	3.55	-41.14	-1	305.334	1.778	0	6	6	CCOC(=O)[C@@H](C)CN=c1[n-]c(-c2ccc(OC)cc2)no1
342594625	ZINC000616962036	ref	1.22	-18.98	0	288.225	1.204	2	3	3	O=C(N[C@@H]1CCNC1=O)c1cccc(OC(F)(F)F)c1
230724254	ZINC000450367080	ref	8.9	-15.9	0	301.31	1.688	1	8	6	CC(C)c1nncn1CCNc1ncc(C#N)cc1[N+](=O)[O-]
342594626	ZINC000616961531	ref	5.0	-17.11	0	274.364	1.65	2	2	6	C[C@@H](CCCc1ccccc1)C(=O)N[C@H]1CCNC1=O
342594627	ZINC000616961450	ref	1.17	-17.48	0	288.134	1.315	2	3	2	Cc1ncc(C(=O)N[C@H]2CCNC2=O)c(Cl)c1Cl
365631543	ZINC000336549618	ref	5.11	-9.67	0	293.338	2.42	1	3	2	O=C(c1cc(F)ccc1O)N1CC[C@H](C2CCOCC2)C1
365631491	ZINC000625066013	ref	7.04	-19.44	0	301.346	2.08	1	4	4	COc1c(C)cc(CN(C)C(=O)c2cc(=O)[nH]cn2)cc1C
365631501	ZINC000625066013	high	5.88	-44.82	-1	301.346	2.08	0	4	4	COc1c(C)cc(CN(C)C(=O)c2cc(=O)[n-]cn2)cc1C
365631511	ZINC000625066649	ref	6.95	-45.75	1	316.348	2.123	2	3	8	Cc1ccc([C@@H](CNC(=O)COCC(F)F)[NH+]2CCCC2)o1
365631525	ZINC000625066649	mid	4.98	-19.47	0	316.348	2.123	1	4	8	Cc1ccc([C@@H](CNC(=O)COCC(F)F)N2CCCC2)o1
365631532	ZINC000625066710	ref	8.8	-17.43	0	310.344	2.461	0	3	7	COCCN(CC(F)F)C(=O)Cc1cn(C)c2ccccc12
365631542	ZINC000625065069	ref	5.69	-12.94	0	313.357	2.48	1	5	4	COc1cccc2c1OCC[C@@H]2NC(=O)c1cnn(C2CC2)c1
214182784	ZINC000293546758	ref	2.81	-10.42	0	374.434	0.873	0	6	6	COC(=O)c1cc(S(=O)(=O)N(C)CCN2CCOCC2)c(F)cc1C
178299795	ZINC000359811233	ref	6.05	-9.6	0	240.31	2.822	2	3	3	Cc1cc2n[nH]cc2cc1NCc1cccn1C
178299801	ZINC000040169798	ref	2.89	-8.24	0	239.072	1.994	1	2	0	Cc1cc2nc(Br)ccc2[nH]c1=O
214182789	ZINC000293547678	ref	6.5	-48.63	1	363.458	0.73	3	4	8	CN(C)C(=O)COc1ccccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1
214182791	ZINC000293547678	high	4.2	-21.92	0	363.458	0.73	2	5	8	CN(C)C(=O)COc1ccccc1C(=O)N[C@H](CO)CN1CCCCC1
214182796	ZINC000293551039	ref	1.61	-54.47	1	368.415	0.375	2	5	3	Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]
214182799	ZINC000293542853	ref	2.03	-19.62	0	352.338	0.48	1	5	4	Cn1cc(S(=O)(=O)N[C@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)n1
214182805	ZINC000293542853	mid	1.79	-44.2	-1	352.338	0.48	0	5	4	Cn1cc(S(=O)(=O)[N-][C@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)n1
214182809	ZINC000293553303	ref	2.82	-15.44	0	356.4	0.082	0	6	5	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(C)C(=O)C2)c1
214182813	ZINC000293540267	ref	6.55	-10.14	0	356.382	0.893	2	6	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1C[C@@H]1Cc1ccccc1
214182818	ZINC000293555708	ref	4.89	-47.09	1	374.489	0.325	3	5	9	C[C@@H]1NC(C(=O)NCCC[N@H+](C)CCN(C)C)=NN(c2ccccc2)C1=O
214182821	ZINC000293555708	mid	4.88	-46.97	1	374.489	0.325	3	5	9	C[C@@H]1NC(C(=O)NCCC[N@@H+](C)CCN(C)C)=NN(c2ccccc2)C1=O
214182826	ZINC000293555708	mid	5.03	-42.45	1	374.489	0.325	3	5	9	C[C@@H]1NC(C(=O)NCCCN(C)CC[NH+](C)C)=NN(c2ccccc2)C1=O
214182831	ZINC000293546733	ref	4.16	-19.28	0	369.399	0.708	1	8	6	CCOC(=O)c1nc(NC(=O)C(=O)N2CC(OCC)C2)sc1C(C)=O
365631492	ZINC000274350719	ref	3.96	-12.2	0	296.367	1.766	1	6	12	COCCOCCOCCCNc1ccc(C(C)=O)cn1
230724258	ZINC000425420361	ref	6.82	-18.97	0	302.334	2.129	2	4	5	N#C[C@H]1CC[C@@H](NC(=O)NCCc2ccc([N+](=O)[O-])cc2)C1
365631499	ZINC000274352400	ref	3.39	-10.34	0	264.329	1.802	2	4	3	CC(C)[C@H]1C[C@@H](NC(=O)Nc2cncnc2)CCO1
178299796	ZINC000237138910	high	3.6	-9.07	0	358.442	1.443	2	6	8	COCCn1nc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ccc1=O
178299798	ZINC000237153984	ref	7.5	-47.31	1	356.426	1.834	2	5	5	CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cn1
178299800	ZINC000237153984	mid	6.14	-14.61	0	356.426	1.834	2	6	5	CCOC(=O)C(C)(C)n1cc(NC(=O)[C@@H]2Cc3ccccc3CN2)cn1
365631512	ZINC000274350675	ref	8.23	-15.59	0	279.271	1.604	1	5	4	COC(=O)CCC(=O)Nc1nc2ccc(F)cc2n1C
365631522	ZINC000274352706	ref	6.19	-16.92	0	276.34	1.596	1	4	4	CCCC(=O)N1CCCC[C@@H]1C(=O)Nc1cncnc1
365631534	ZINC000274352179	ref	3.85	-48.03	1	268.357	1.241	1	4	12	COCCOCCOCCC[NH2+]Cc1cccnc1
365631544	ZINC000274352179	high	2.5	-8.96	0	268.357	1.241	1	5	12	COCCOCCOCCCNCc1cccnc1
365631554	ZINC000274351160	ref	0.7	-9.97	0	273.283	1.259	3	4	6	CC(C)Nc1ccc(C(=O)NCC(F)(F)CO)cn1
365631570	ZINC000274352569	ref	4.46	-13.25	0	272.304	1.559	1	3	2	CNC(=O)C1CN(C(=O)c2cc3cccc(C)c3o2)C1
365631586	ZINC000274352382	ref	2.66	-11.34	0	250.302	1.556	2	4	3	CO[C@H]1CCCC[C@@H]1NC(=O)Nc1cncnc1
282121881	ZINC000247161976	mid	7.53	-49.49	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H]3CCC[N@@H+]3C[C@H]1C)CC2
282121885	ZINC000090559218	ref	8.41	-15.97	0	345.834	2.323	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3ccc(Cl)cc3C1)CC2
282121889	ZINC000124208620	ref	7.04	-50.4	1	334.468	1.321	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C)CC2
365631606	ZINC000274351223	ref	3.71	-6.58	0	276.34	1.358	2	4	3	CC1CCC(CNC(=O)C(=O)Nc2cncnc2)CC1
365631616	ZINC000274350153	ref	5.84	-12.91	0	278.312	1.284	1	5	3	CCOC(=O)[C@H]1CCCN(C(=O)Nc2cncnc2)C1
365631633	ZINC000274351133	ref	1.37	-9.81	0	252.318	1.395	3	4	4	CC(C)(C)C[C@@H](O)CNC(=O)Nc1cncnc1
349534321	ZINC000594967508	ref	6.3	-45.72	1	295.448	2.865	1	2	6	CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
365631648	ZINC000274351161	ref	6.29	-47.13	1	275.356	1.425	2	3	1	C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cncnc3)CC[C@H]21
230724256	ZINC000450369510	ref	3.4	-9.33	0	321.421	1.606	2	4	8	COCCNC(=O)[C@H](CC(C)C)NC(=O)c1ccc(C)nc1C
214182808	ZINC000053429355	ref	7.42	-39.55	1	345.35	4.111	1	2	6	C[C@@H]1CCCC[C@@H]1[NH2+]CCN(C)Cc1cc(Br)cs1
214182812	ZINC000053437406	ref	8.08	-41.65	1	325.294	3.661	1	1	7	CN(CC[NH2+]CC1CCCC1)Cc1cccc(Br)c1
214182816	ZINC000053427894	ref	7.32	-19.84	0	329.4	1.732	0	5	5	CCN(C[C@H]1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O
323004400	ZINC000566510947	ref	8.79	-35.44	0	245.338	2.7	1	2	8	CC[C@](C)(C(=O)[O-])[N@H+](CC[C@H](C)F)CC1CC1
214182820	ZINC000053423049	ref	7.98	-13.35	0	344.411	2.038	0	4	3	CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCC2(CC1)OCCO2
214182824	ZINC000053415850	ref	2.46	-24.18	0	344.408	0.93	2	4	8	O=C(C[C@@H]1CCCO1)NCCS(=O)(=O)NCc1ccc(F)cc1
214182828	ZINC000053417235	ref	6.68	-15.68	0	347.444	1.167	1	6	6	C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1C)C(=O)N(C)C
214182832	ZINC000053433907	ref	10.09	-16.73	0	332.379	2.356	0	5	5	CCN(C[C@@H]1CCCO1)C(=O)c1nc(C)n(-c2ccc(F)cc2)n1
214182833	ZINC000053433428	ref	3.83	-10.21	0	338.452	0.058	1	4	3	CC(C)NC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1
214182834	ZINC000053422186	ref	8.64	-15.05	0	334.807	2.831	0	5	4	Cc1cc([C@H]2CCCN2C(=O)CN(C)c2ccc(Cl)cn2)no1
214182839	ZINC000053427442	ref	7.15	-12.91	0	328.401	2.991	0	8	5	C[C@@H](Sc1nnc(-c2cccnc2)n1C)c1nc(C2CC2)no1
214182843	ZINC000053442034	ref	6.48	-13.32	0	339.395	3.258	0	6	5	COC(=O)c1cc(CN(C)Cc2nc3ccccc3nc2C)oc1C
214182848	ZINC000053442034	low	8.16	-52.35	1	339.395	3.258	1	5	5	COC(=O)c1cc(C[N@H+](C)Cc2nc3ccccc3nc2C)oc1C
214182851	ZINC000053442034	low	8.84	-52.0	1	339.395	3.258	1	5	5	COC(=O)c1cc(C[N@@H+](C)Cc2nc3ccccc3nc2C)oc1C
214182854	ZINC000053414560	ref	4.48	-19.14	0	333.325	3.409	0	8	7	O=[N+]([O-])c1ccccc1OCCSc1nnc(-c2ccco2)o1
214182864	ZINC000053437513	ref	7.47	-103.8	2	328.298	2.422	2	1	9	CN(CC[NH2+]CCC[NH+](C)C)Cc1cccc(Br)c1
214182867	ZINC000053437513	mid	8.46	-86.54	2	328.298	2.422	3	1	9	C[NH+](C)CCCNCC[N@H+](C)Cc1cccc(Br)c1
214182871	ZINC000053437513	mid	8.46	-86.78	2	328.298	2.422	3	1	9	C[NH+](C)CCCNCC[N@@H+](C)Cc1cccc(Br)c1
214182875	ZINC000053437513	high	5.01	-42.27	1	328.298	2.422	1	2	9	CN(C)CCC[NH2+]CCN(C)Cc1cccc(Br)c1
214182814	ZINC000337617853	ref	-0.51	-17.37	0	250.302	0.392	3	3	5	CC(C)(CNC(=O)NCc1ccncc1)C(N)=O
214182817	ZINC000337616155	ref	-0.52	-42.46	1	285.348	0.051	4	5	6	Cc1noc([C@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C)n1
214182819	ZINC000337616155	high	-2.5	-8.34	0	285.348	0.051	3	6	6	Cc1noc([C@H](C)NC(=O)NC[C@@](C)(O)CN(C)C)n1
214182822	ZINC000337619686	ref	1.6	-41.16	1	274.361	-0.578	2	4	8	C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCOCCO
214182823	ZINC000337619686	mid	-0.27	-9.96	0	274.361	-0.578	1	5	8	C[C@H](CN1CCOCC1)C(=O)N(C)CCOCCO
343993657	ZINC000079915274	low	10.46	-43.92	1	293.374	2.405	1	4	4	C[N@@H+](Cc1cccc2cccnc12)Cc1nnc2n1CCC2
214182830	ZINC000337618188	ref	8.05	-8.29	0	275.274	3.337	2	2	4	O=C(CCC1CCCC1)Nc1nc(C(F)(F)F)c[nH]1
214182836	ZINC000337618188	mid	7.97	-7.3	0	275.274	3.337	2	2	4	O=C(CCC1CCCC1)Nc1ncc(C(F)(F)F)[nH]1
214182838	ZINC000337618718	ref	4.63	-9.05	0	277.368	2.457	2	3	8	CCC(CC)[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)OC
214182842	ZINC000337618385	ref	2.34	-11.78	0	271.288	0.915	1	4	7	COc1ccc(F)cc1C(=O)N(C)CCOCCO
214182844	ZINC000337619852	ref	7.01	-7.9	0	280.437	3.415	2	2	5	CS[C@H](C)CNC(=O)N[C@H](C)c1ccc(C)cc1C
214182847	ZINC000337617194	ref	7.33	-42.01	1	275.396	2.013	3	1	7	C[C@@H](CCc1ccccc1)NC(=O)NCC[NH+]1CCC1
214182850	ZINC000337617194	mid	4.14	-10.04	0	275.396	2.013	2	2	7	C[C@@H](CCc1ccccc1)NC(=O)NCCN1CCC1
342087746	ZINC000625366684	high	5.82	-10.88	0	256.353	1.724	0	4	3	Cc1ccc2c(c1)CCN(CCc1cn(C)nn1)C2
214182853	ZINC000337618086	ref	7.1	-9.03	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@@H](C)c1nnc([C@H](C)CC)[nH]1
214182856	ZINC000337618086	mid	6.59	-8.74	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@@H](C)c1n[nH]c([C@H](C)CC)n1
214182859	ZINC000337618533	ref	6.3	-41.08	1	261.369	2.061	3	1	5	Cc1ccc([C@H](C)NC(=O)NCC[NH+]2CCC2)cc1
342087747	ZINC000600314313	ref	6.55	-22.08	0	292.291	1.365	0	5	4	O=C(COc1cccc([N+](=O)[O-])c1)N1CC2(CCCO2)C1
214182863	ZINC000337618533	mid	3.11	-9.24	0	261.369	2.061	2	2	5	Cc1ccc([C@H](C)NC(=O)NCCN2CCC2)cc1
214182866	ZINC000337617816	ref	2.14	-16.18	0	262.313	0.921	3	3	4	CC(C)(C)NC(=O)CCNC(=O)c1ccc(C#N)[nH]1
214182870	ZINC000337617524	ref	11.33	-42.71	1	257.381	3.493	1	2	6	CCC[C@@H](C)[N@H+](C)Cc1ccc(-n2ccnc2)cc1
214182873	ZINC000337617524	mid	11.31	-42.12	1	257.381	3.493	1	2	6	CCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2ccnc2)cc1
214182876	ZINC000337617524	low	11.84	-81.43	2	257.381	3.493	1	1	6	CCC[C@@H](C)[N@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1
197591117	ZINC000162784971	ref	11.89	-21.4	0	316.43	3.12	1	5	5	CCSCc1ccc(C(=O)Nc2nnc3n2CCCC3)cc1
365631496	ZINC000172881853	mid	3.11	-20.88	0	299.396	1.363	1	4	4	C[C@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1ncc[nH]1
342594628	ZINC000616961543	ref	4.99	-17.09	0	274.364	1.65	2	2	6	C[C@H](CCCc1ccccc1)C(=O)N[C@@H]1CCNC1=O
365631505	ZINC000172883263	ref	4.63	-7.61	0	297.326	1.46	0	5	5	COC[C@H]1CN(Cc2ccc(F)cc2C(=O)OC)CCO1
365631520	ZINC000643091736	ref	2.8	-59.31	1	297.424	1.395	2	2	8	CN(C1CC1)S(=O)(=O)N[C@H](CCC[NH3+])c1ccccc1
365631528	ZINC000172882999	ref	2.06	-7.52	0	256.733	1.582	0	4	4	COC[C@@H]1CN(Cc2ccnc(Cl)c2)CCO1
342594629	ZINC000616961597	ref	4.03	-18.47	0	260.337	1.575	2	2	5	C[C@H](CCC(=O)N[C@H]1CCNC1=O)c1ccccc1
190493215	ZINC000269423458	ref	3.94	-7.31	0	291.42	3.486	1	5	7	CCCOc1ncccc1CN[C@H](C)c1csc(C)n1
197591126	ZINC000162783134	ref	1.99	-9.63	0	308.403	2.863	1	6	8	CCCc1nnc(SC[C@@H](O)COc2ccccc2C)o1
365631537	ZINC000172882211	ref	0.86	-11.54	0	299.758	1.28	3	3	6	C[C@H](CNC(=O)[C@@H](C)NC(N)=O)Oc1ccccc1Cl
365631550	ZINC000172884814	ref	1.38	-6.81	0	251.326	1.067	1	4	5	COC[C@H]1CN(C[C@H](O)c2ccccc2)CCO1
230724279	ZINC000450368188	ref	7.01	-42.38	1	300.468	1.291	2	3	5	CSCC[C@@H](O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1
365631560	ZINC000172884814	mid	3.25	-41.16	1	251.326	1.067	2	3	5	COC[C@H]1C[N@H+](C[C@H](O)c2ccccc2)CCO1
230724286	ZINC000450368404	ref	2.66	-14.37	0	323.418	1.963	1	5	4	CNS(=O)(=O)C[C@H]1CCCN1c1nc2cc(C)cc(C)c2o1
197591129	ZINC000162781568	ref	3.43	-8.59	0	322.149	2.618	2	2	5	CC[C@@H](O)CCNC(=O)c1cc(F)c(F)cc1Br
187168706	ZINC000125080173	ref	9.6	-71.54	-1	291.347	2.086	0	4	4	Cc1cccc(OCC(=O)N2CC[C@@H](C)C[C@@H]2C(=O)[O-])c1
190493216	ZINC000269423458	low	5.16	-34.47	1	291.42	3.486	1	4	7	CCCOc1ncccc1C[NH2+][C@H](C)c1csc(C)n1
365631565	ZINC000172884814	mid	3.67	-41.31	1	251.326	1.067	2	3	5	COC[C@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCO1
365631575	ZINC000172884075	ref	0.86	-12.0	0	281.337	1.868	1	4	4	Cc1ncc(-c2ccc(NS(=O)(=O)N(C)C)cc2)o1
342594630	ZINC000616961435	ref	3.57	-15.09	0	260.337	1.602	2	2	2	CC(C)(C)c1ccccc1C(=O)N[C@H]1CCNC1=O
365631591	ZINC000172887969	ref	4.36	-10.06	0	256.367	1.722	1	3	5	Cc1ccc(CCS(=O)(=O)[C@H](C)[C@@H](C)O)cc1
365631603	ZINC000172887408	ref	3.11	-8.84	0	286.335	1.565	2	5	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1nccnc1N
365631506	ZINC000122675810	ref	7.45	-18.75	0	276.299	2.458	0	5	3	Cn1c([C@@H](C#N)C(=O)c2cccnc2)nc2ccccc21
365631519	ZINC000122675810	high	6.53	-43.73	-1	276.299	2.458	0	5	2	Cn1c(C(C#N)=C([O-])c2cccnc2)nc2ccccc21
259309342	ZINC000526044037	ref	8.53	-13.07	0	246.697	2.61	0	3	3	O=c1ccncn1C/C=C\c1ccc(Cl)cc1
214182815	ZINC000278484581	ref	6.83	-37.59	1	324.852	3.38	2	2	5	Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)c(Cl)c1
214182825	ZINC000278483194	ref	5.05	-6.72	0	322.405	2.04	1	4	5	COCC[C@H](NC(=O)C(=O)N1CCC(C)CC1)c1ccc(C)o1
178299803	ZINC000237138921	ref	4.75	-64.16	0	360.863	1.795	2	4	6	COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[C@@H]1CCC[NH2+]C1
178299805	ZINC000237138921	high	4.75	-64.16	0	360.863	1.795	1	4	6	COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@@H]1CCC[NH2+]C1
214182829	ZINC000278484601	ref	4.13	-12.98	0	300.424	1.437	1	3	5	C/C=C/C=C/C(=O)NC1CCN(S(=O)(=O)C(C)C)CC1
178299808	ZINC000237147833	ref	9.81	-91.74	2	359.518	1.442	2	3	7	C[NH2+]CCCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1
214182835	ZINC000278483592	ref	4.57	-16.34	0	324.446	2.318	1	4	5	CC[C@@H]1CC[C@@H](C(=O)NCc2ncccc2S(C)(=O)=O)CC1
214182840	ZINC000278483892	ref	1.82	-10.13	0	303.318	1.525	2	6	4	CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(=O)n(C)n1
214182845	ZINC000278483312	ref	6.87	-12.41	0	304.419	2.967	1	4	5	Cc1ccc(CN(C(=O)NCc2cccnn2)C(C)C)s1
214182849	ZINC000278483155	ref	7.17	-45.73	1	302.382	1.018	3	4	7	CC[N@H+](C)CCNC(=O)NCc1ncnn1-c1ccccc1
214182855	ZINC000278483155	mid	7.17	-45.7	1	302.382	1.018	3	4	7	CC[N@@H+](C)CCNC(=O)NCc1ncnn1-c1ccccc1
214182858	ZINC000278483155	high	4.85	-10.47	0	302.382	1.018	2	5	7	CCN(C)CCNC(=O)NCc1ncnn1-c1ccccc1
214182862	ZINC000278484707	ref	3.06	-45.86	-1	312.416	2.878	0	5	4	COc1cc(C)cc([N-]S(=O)(=O)c2cnc(C)s2)c1C
214182865	ZINC000278484707	low	3.07	-10.0	0	312.416	2.878	1	5	4	COc1cc(C)cc(NS(=O)(=O)c2cnc(C)s2)c1C
214182869	ZINC000278482768	ref	2.59	-16.75	0	319.312	2.778	2	5	3	C[C@H](NC(=O)Nc1cnn(C)c1)c1nc(C(F)(F)F)cs1
214182874	ZINC000278483199	ref	1.29	-14.52	0	304.272	1.074	2	4	3	O=C(NCc1cccnn1)N1CCC[C@H]1[C@H](O)C(F)(F)F
214182880	ZINC000278483755	ref	8.6	-10.31	0	316.426	3.426	0	4	3	Cn1c(C(=O)N(c2ccsc2)C2CCCCC2)cccc1=O
214182885	ZINC000278483947	ref	7.04	-12.18	0	316.304	3.347	0	5	5	O=C(OCCCc1ccncc1)c1ncsc1C(F)(F)F
342087748	ZINC000622702288	ref	2.79	-13.92	0	293.392	1.27	2	4	5	Cc1nc(CC2CC2)sc1C(=O)NC[C@H]1CNC(=O)C1
365631524	ZINC000122675810	high	7.45	-18.75	0	276.299	2.458	0	5	3	Cn1c(C(C#N)C(=O)c2cccnc2)nc2ccccc21
365631531	ZINC000122650802	ref	7.59	-8.16	0	269.344	2.112	1	2	2	O=C(C#Cc1ccccc1)N[C@H]1CCO[C@@H](C2CC2)C1
365631546	ZINC000122683451	ref	4.81	-9.35	0	253.367	2.286	1	2	6	C=C(C)CNS(=O)(=O)C[C@H](C)c1ccccc1
230724287	ZINC000414275283	ref	8.84	-49.74	1	311.429	3.239	1	3	6	Cn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](c2ccccc2)C2CC2)cn1
349534323	ZINC000618811307	ref	7.53	-9.2	0	276.384	1.99	0	4	4	CN(Cc1cn(C)nn1)C(=O)[C@H]1C[C@H]1C1CCCCC1
365631556	ZINC000122706308	ref	3.59	-8.03	0	290.407	2.277	2	3	5	CCC[C@@](C)(O)C(=O)NC[C@H]1CCN(C)c2ccccc21
190493218	ZINC000269428755	ref	10.65	-19.62	0	285.347	2.439	1	4	4	O=C(Nc1nccn1Cc1ccccc1)[C@H]1CCCCO1
365631567	ZINC000122684693	ref	6.08	-6.7	0	262.353	2.274	0	4	3	COC(=O)[C@H](c1cccnc1)N1CC[C@@H](C)[C@@H](C)C1
365631577	ZINC000122684693	low	8.3	-34.43	1	262.353	2.274	1	3	3	COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1
365631585	ZINC000122684693	low	8.05	-33.54	1	262.353	2.274	1	3	3	COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@@H](C)[C@@H](C)C1
365631590	ZINC000122673637	ref	8.23	-38.51	1	296.374	2.045	1	3	1	Cn1nccc1C(=O)N1C[C@H]2CCC[N@@H+]2Cc2ccccc21
365631600	ZINC000122673637	mid	7.96	-39.31	1	296.374	2.045	1	3	1	Cn1nccc1C(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21
365631607	ZINC000122673637	high	6.05	-7.72	0	296.374	2.045	0	4	1	Cn1nccc1C(=O)N1C[C@H]2CCCN2Cc2ccccc21
230724312	ZINC000414274645	ref	5.91	-15.56	0	308.369	3.212	1	2	5	O=[S@](CCCc1cn[nH]c1)C1CCC(C(F)(F)F)CC1
230724315	ZINC000414278062	ref	6.64	-18.48	0	311.447	3.125	1	3	5	COc1ccc(C)cc1NC(=O)[C@H](C)[S@@](=O)CC(C)(C)C
365631613	ZINC000122752081	ref	7.09	-19.16	0	287.323	2.269	1	5	5	Cc1cc(NC(=O)N(CCC#N)Cc2ccco2)nn1C
365631627	ZINC000122689684	ref	8.95	-9.41	0	269.385	2.47	0	3	7	CC[C@]1(C)C[C@@H]1C(=O)N(CCC(=O)OC)CC(C)C
365631638	ZINC000122665273	ref	2.66	-39.12	-1	261.306	2.492	0	6	3	CCc1nc(C([O-])=C(C#N)c2nc(C)cs2)co1
365631653	ZINC000122699109	ref	4.66	-9.92	0	276.336	2.162	1	4	3	C[C@H]1CC[C@H](OC(=O)c2ccc(C(N)=O)cn2)[C@H](C)C1
398248126	ZINC000651457872	ref	7.78	-6.77	0	286.375	3.47	1	4	7	COc1cccc2c(N[C@H](C)COCC3CC3)nccc12
230236061	ZINC000354873716	ref	4.02	-23.9	0	284.312	-0.556	1	5	3	COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H]2CCCN(C)C2=O)O1
230236084	ZINC000354922492	ref	0.91	-48.92	-1	269.29	-0.078	3	6	5	CCc1nc(NC(=O)CSc2n[nH]c(=O)[n-]2)n[nH]1
230236096	ZINC000354922492	mid	1.4	-43.6	-1	269.29	-0.078	3	6	5	CCc1nnc(NC(=O)CSc2n[nH]c(=O)[n-]2)[nH]1
230236103	ZINC000354922492	mid	0.89	-42.69	-1	269.29	-0.078	3	6	5	CCc1n[nH]c(NC(=O)CSc2n[nH]c(=O)[n-]2)n1
230236109	ZINC000354883954	ref	1.73	-19.71	0	291.369	-0.172	0	5	5	COCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1
214182837	ZINC000293551050	ref	1.22	-11.18	0	352.387	0.835	3	6	7	CC[C@@](C)(O)CNC(=O)C(=O)Nc1cc(COC)cc(C(=O)OC)c1
214182841	ZINC000293555165	ref	7.17	-24.95	0	359.386	0.806	1	7	6	C[C@H](NC(=O)CCn1ncn(C)c1=O)c1ccc(N2CCOC2=O)cc1
214182846	ZINC000293541095	ref	-1.35	-57.31	-1	362.386	0.917	2	6	5	COCC1(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)CCOCC1
214182852	ZINC000293541095	mid	-1.82	-116.78	-2	362.386	0.917	1	6	5	COCC1(CNC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[n-]2)CCOCC1
214182857	ZINC000293541095	low	0.48	-14.95	0	362.386	0.917	3	6	5	COCC1(CNC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[nH]2)CCOCC1
214182861	ZINC000293546033	ref	2.55	-25.58	0	372.425	0.428	3	5	4	O=C([C@@H]1CCN(C(=O)[C@H](O)[C@H](O)c2nc3ccccc3[nH]2)C1)N1CCCC1
214182868	ZINC000293551095	ref	1.12	-22.98	0	367.42	0.632	1	6	6	COC(=O)c1cc(S(=O)(=O)N[C@@H](C)CS(C)(=O)=O)c(F)cc1C
214182872	ZINC000293551095	high	1.03	-54.52	-1	367.42	0.632	0	6	6	COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)CS(C)(=O)=O)c(F)cc1C
214182877	ZINC000293552738	ref	1.66	-23.19	0	367.427	0.711	2	5	2	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@H](C)[C@H]2C)c1
214182881	ZINC000293552186	ref	4.67	-9.82	0	374.441	0.884	2	6	6	COCC1(CNC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CCOCC1
214182886	ZINC000293552188	ref	1.77	-22.54	0	351.428	0.871	3	4	5	C[C@H]1[C@@H](NC(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)CCS1(=O)=O
214182889	ZINC000293552761	ref	2.7	-17.9	0	374.376	0.046	2	6	4	Cc1c(NC(=O)C(=O)N2CC[C@H](C(N)=O)C2)nnn1Cc1ccccc1F
214182895	ZINC000293555608	ref	2.87	-15.36	0	366.487	0.654	1	4	6	CCCNS(=O)(=O)N1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1
214182897	ZINC000293553630	ref	8.02	-20.48	0	350.35	0.45	1	7	6	COC(=O)[C@H](NC(=O)CCn1ncn(C)c1=O)c1ccc(F)c(C)c1
365631535	ZINC000457198723	ref	6.23	-17.33	0	295.339	1.43	2	4	7	C[NH+](C)CC(C)(C)NC(=O)COc1cccc([N+](=O)[O-])c1
365631545	ZINC000457198723	high	6.23	-17.33	0	295.339	1.43	1	5	7	CN(C)CC(C)(C)NC(=O)COc1cccc([N+](=O)[O-])c1
365631553	ZINC000354697762	ref	3.05	-7.71	0	297.273	1.004	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1)[C@@H](C)O
365631563	ZINC000354698680	ref	5.33	-52.67	1	289.383	1.428	2	4	6	CC(C)[N@H+](C)CCCNC(=O)c1ccc2c(c1)nnn2C
365631572	ZINC000354698680	mid	5.33	-52.67	1	289.383	1.428	2	4	6	CC(C)[N@@H+](C)CCCNC(=O)c1ccc2c(c1)nnn2C
365631581	ZINC000457198823	ref	7.28	-11.08	0	293.367	1.984	2	3	7	C[NH+](C)CC(C)(C)NC(=O)CCc1cccc([N+](=O)[O-])c1
365631587	ZINC000457198823	high	7.28	-11.08	0	293.367	1.984	1	4	7	CN(C)CC(C)(C)NC(=O)CCc1cccc([N+](=O)[O-])c1
365631598	ZINC000354698716	ref	4.76	-24.03	0	296.323	1.054	0	6	6	CCOC(=O)[C@@H]1CCCN1C(=O)COCc1ncc(C)o1
365631611	ZINC000457197749	ref	7.31	-41.81	1	280.328	1.527	3	3	8	C[N@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1
398248127	ZINC000651457872	low	8.13	-27.45	1	286.375	3.47	1	3	7	COc1cccc2c(N[C@H](C)COCC3CC3)[nH+]ccc12
365631623	ZINC000457197749	mid	7.3	-41.73	1	280.328	1.527	3	3	8	C[N@@H+](CCCCNC(=O)c1ccc([N+](=O)[O-])[nH]1)C1CC1
365631636	ZINC000354699688	ref	3.68	-12.75	0	286.335	1.669	2	4	6	C[NH+](C)CCOc1cccc(NC(=O)c2cncnc2)c1
365631645	ZINC000354699688	high	3.68	-12.75	0	286.335	1.669	1	5	6	CN(C)CCOc1cccc(NC(=O)c2cncnc2)c1
199272986	ZINC000181266371	ref	10.08	-13.36	0	315.413	2.822	0	3	2	CC(C)(C)c1ccc2c(c1)CN(C(=O)C[C@@H]1COC(=O)C1)CC2
199272988	ZINC000181264042	ref	4.72	-12.46	0	309.381	3.248	2	3	7	CCOCCC1(CNC(=O)c2ccc(O)cc2F)CCCC1
365631659	ZINC000354698315	ref	6.02	-18.52	0	293.33	1.97	1	4	3	O=C(c1c[nH]cc1-c1ccccc1)N1CC(n2ccnn2)C1
199272990	ZINC000181264042	mid	5.5	-43.23	-1	309.381	3.248	1	3	7	CCOCCC1(CNC(=O)c2ccc([O-])cc2F)CCCC1
178305761	ZINC000044183900	ref	5.64	-10.61	0	218.3	2.595	1	3	2	Cc1cc2ncn([C@@H](C)[C@H](C)O)c2cc1C
282121883	ZINC000151625335	ref	2.5	-15.36	0	300.428	2.409	3	5	6	CCCc1nnc(NC(=O)N[C@@H](CCO)C(C)(C)C)s1
349534324	ZINC000594967508	high	5.09	-13.52	0	295.448	2.865	1	3	6	CCOc1ccccc1CN[C@@H]1CCC[C@H]([S@](C)=O)C1
365631672	ZINC000354698570	ref	3.14	-9.19	0	281.356	1.04	1	5	5	COCC1(C(=O)N[C@@H](C)c2cnn(C)c2)CCOCC1
212165150	ZINC000335488429	ref	3.44	-10.56	0	280.374	2.409	0	4	2	C[C@@H]1c2ccccc2CN1S(=O)(=O)c1cscn1
282121884	ZINC000492223355	ref	7.65	-38.57	1	285.428	2.759	1	3	8	CCC(CC)(C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)OC
214182878	ZINC000337617524	low	11.82	-81.23	2	257.381	3.493	1	1	6	CCC[C@@H](C)[N@@H+](C)Cc1ccc(-n2cc[nH+]c2)cc1
295666191	ZINC000353865883	ref	8.07	-3.46	0	326.506	2.816	1	3	2	CS[C@H]1CCCCN(C(=O)C(=O)N[C@H]2CCCCC2(C)C)C1
185087423	ZINC000096071670	ref	11.29	-43.5	1	298.43	3.366	1	1	3	Cc1ccccc1N1C[C@@]2(CCCC[N@@H+]2CC2CC2)CC1=O
214182887	ZINC000337618868	ref	5.59	-7.14	0	255.358	2.019	0	3	7	COCCN(C(=O)CCC(C)=O)[C@H]1CCC[C@H]1C
214182890	ZINC000337616527	ref	3.46	-14.44	0	292.298	3.265	2	4	2	Cc1noc2ncc(NC(=O)c3cc4ccccc4[nH]3)cc12
214182893	ZINC000337616547	ref	8.43	-14.33	0	284.359	3.142	1	3	5	CCc1cccnc1NC(=O)Cc1cc(C)ccc1OC
214182899	ZINC000337616064	ref	5.21	-12.85	0	287.356	0.718	1	5	6	CCOC(=O)C1(O)CCN(C(=O)CO[C@H](C)CC)CC1
214182910	ZINC000337615597	ref	5.08	-15.16	0	292.408	2.158	3	3	7	CSCCCNC(=O)NCCc1c[nH]c2ncccc12
214182915	ZINC000337620278	ref	2.45	-14.55	0	253.302	0.172	1	5	4	CC[C@]1(O)CCN(C(=O)COc2cnn(C)c2)C1
214182918	ZINC000337618344	ref	3.83	-47.09	1	292.383	-0.79	1	3	2	O=C([C@@H]1C[N@H+]2CCCN1CC2)N1CCN(C2CC2)C(=O)C1
214182920	ZINC000337618344	mid	3.96	-49.19	1	292.383	-0.79	1	3	2	O=C([C@@H]1C[N@@H+]2CCCN1CC2)N1CCN(C2CC2)C(=O)C1
214182921	ZINC000337618344	high	1.94	-9.62	0	292.383	-0.79	0	4	2	O=C([C@@H]1CN2CCCN1CC2)N1CCN(C2CC2)C(=O)C1
214182925	ZINC000337616280	ref	3.28	-9.82	0	287.31	2.307	2	3	4	Cc1[nH]nc(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c1C
214182928	ZINC000337616280	mid	3.33	-8.47	0	287.31	2.307	2	3	4	Cc1n[nH]c(C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)c1C
214182931	ZINC000337616973	ref	8.74	-12.84	0	299.37	3.299	1	3	4	C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@H](c1ccccc1)c1ccco1
214182934	ZINC000337619408	ref	7.84	-11.2	0	298.39	3.422	1	4	4	C[C@H]1CCC[C@H](CC(=O)Nc2cnccc2-n2cccn2)C1
214182938	ZINC000337619408	mid	8.29	-35.62	1	298.39	3.422	1	3	4	C[C@H]1CCC[C@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1
214182941	ZINC000337619184	ref	6.65	-15.1	0	274.305	2.037	2	5	4	O=C(COc1ccsc1)Nc1nc2cccnc2[nH]1
214182945	ZINC000337615634	ref	7.64	-10.59	0	263.406	3.106	1	2	3	CS[C@@H](C)C(=O)N[C@@]1(C)CCCc2ccccc21
214182946	ZINC000337618984	ref	1.38	-9.52	0	286.372	0.149	2	4	8	C[C@@H](NC(=O)C1CCCC1)C(=O)N(C)CCOCCO
214182879	ZINC000053437513	high	6.12	-34.68	1	328.298	2.422	2	2	9	CN(CCNCCC[NH+](C)C)Cc1cccc(Br)c1
214182884	ZINC000053429358	ref	7.61	-39.02	1	345.35	4.111	1	2	6	C[C@H]1CCCC[C@@H]1[NH2+]CCN(C)Cc1cc(Br)cs1
214182888	ZINC000053434434	ref	5.52	-10.99	0	348.403	1.325	1	5	4	CC(C)NC(=O)C(=O)N1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1
214182892	ZINC000053422571	ref	7.88	-15.35	0	339.395	2.922	1	3	5	Cc1cc(C(=O)N(Cc2ccco2)C2CC2)ccc1N1CCNC1=O
398248128	ZINC000651458462	ref	8.85	-7.11	0	262.397	3.293	1	1	4	O=C(NC1CC2(CCC2)C1)N(CC1CC1)C1CCC1
398248129	ZINC000651458804	ref	7.45	-9.51	0	290.329	3.301	1	1	1	C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)NC1CC2(CCC2)C1
214182903	ZINC000053413860	ref	1.43	-28.76	0	328.307	1.15	3	5	5	NC(=O)Cn1cc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)cn1
214182905	ZINC000053413860	mid	1.35	-24.18	0	328.307	1.15	3	5	5	NC(=O)Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(F)cc2)cn1
398248130	ZINC000651458118	ref	9.08	-7.92	0	271.364	3.165	1	4	6	Cc1cccc2ncnc(N[C@H](C)COCC3CC3)c12
398248131	ZINC000651457913	ref	7.2	-3.71	0	254.399	3.494	1	4	7	CC(C)c1cnc(N[C@@H](C)COCC2CC2)s1
214182913	ZINC000053411334	ref	5.67	-13.2	0	332.425	2.545	2	4	7	COC(=O)NCC(=O)NCCSCc1cccc2ccccc12
214182917	ZINC000053421636	ref	3.59	-19.08	0	334.372	2.2	1	4	3	NC(=O)c1csc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)c1
214182922	ZINC000053427890	ref	7.64	-22.98	0	329.4	1.732	0	5	5	CCN(C[C@@H]1CCCO1)C(=O)Cn1nc(C)c2ccccc2c1=O
214182929	ZINC000053432964	ref	3.86	-11.13	0	335.379	0.329	0	4	2	O=C(C(=O)N1CCN(Cc2ccc(F)cc2)CC1)N1CCOCC1
342087749	ZINC000600314284	ref	4.54	-12.58	0	291.307	1.641	1	5	3	CNc1ccc(C(=O)N2CC3(CCCO3)C2)cc1[N+](=O)[O-]
282121886	ZINC000151620737	ref	4.15	-20.01	0	321.425	2.239	3	4	7	CCCn1nccc1NC(=O)N[C@H](CC(N)=O)C1CCCCC1
214182935	ZINC000053416189	ref	8.46	-14.05	0	332.429	1.991	0	6	3	O=C(CSc1nnc2ccccn12)N1CCO[C@@H]2CCCC[C@H]21
214182939	ZINC000053414405	ref	2.47	-24.04	0	332.408	1.696	2	6	5	CC(C)c1cc(C(=O)Nc2cnn(CC(N)=O)c2)nn1C(C)(C)C
214182943	ZINC000053416186	ref	8.46	-14.11	0	332.429	1.991	0	6	3	O=C(CSc1nnc2ccccn12)N1CCO[C@H]2CCCC[C@@H]21
214182948	ZINC000053424591	ref	11.37	-14.85	0	326.425	3.384	0	6	8	C=CCn1c(SCCOc2cccc(C#N)c2)nnc1C1CC1
282121888	ZINC000151626629	ref	5.04	-14.09	0	306.406	2.041	2	3	8	COC[C@@H](NC(=O)C[C@@H](NC(C)=O)c1ccccc1)C(C)C
349534325	ZINC000602429983	ref	7.89	-44.79	1	226.28	1.56	1	4	6	CCC[N@H+](CC)Cc1cn(C)nc1[N+](=O)[O-]
342594631	ZINC000616961552	ref	2.53	-19.34	0	276.336	1.193	2	3	5	CC[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(OC)cc1
365631539	ZINC000623063378	ref	2.86	-12.08	0	316.361	1.818	1	6	4	COCc1nc(C(=O)N2CCC(c3cccc(N)c3)CC2)no1
342600482	ZINC000308384686	ref	3.56	-6.62	0	260.341	1.652	1	5	4	CCc1nc(C#N)cc(N2CCCC[C@@H]2CCO)n1
365631551	ZINC000623061971	ref	4.22	-45.96	1	301.394	1.555	3	3	4	O=C(NCC12CC(C[NH2+]1)C2)Nc1cccnc1N1CCCC1
365631558	ZINC000623062614	ref	1.66	-62.91	1	311.407	1.434	2	3	2	C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
178299810	ZINC000237147833	high	7.75	-46.44	1	359.518	1.442	1	4	7	C[NH2+]CCCC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
365631566	ZINC000623061615	ref	2.59	-51.61	1	309.366	1.667	2	4	5	COc1cc(NC(=O)N2CCC[C@H]2C[NH3+])cc(OC)c1OC
349534328	ZINC000602429983	mid	7.88	-44.27	1	226.28	1.56	1	4	6	CCC[N@@H+](CC)Cc1cn(C)nc1[N+](=O)[O-]
342600483	ZINC000616999443	ref	4.0	-35.24	1	270.417	1.63	3	2	4	CC(C)[C@@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
282121891	ZINC000151626917	ref	7.02	-40.69	1	302.422	2.331	2	2	3	Cc1cccc([C@H]2CCCN2C(=O)NC[C@H]2CCC[N@H+]2C)n1
342600484	ZINC000616999443	mid	3.99	-35.85	1	270.417	1.63	3	2	4	CC(C)[C@@](C)(O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
282121894	ZINC000151626917	mid	7.58	-41.87	1	302.422	2.331	2	2	3	Cc1cccc([C@H]2CCCN2C(=O)NC[C@H]2CCC[N@@H+]2C)n1
282121896	ZINC000151626917	high	5.28	-10.7	0	302.422	2.331	1	3	3	Cc1cccc([C@H]2CCCN2C(=O)NC[C@H]2CCCN2C)n1
282123624	ZINC000377737095	ref	6.14	-15.21	0	330.779	1.632	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3cc(Cl)ccn3n1)CC2
230724329	ZINC000425419148	ref	5.37	-11.18	0	320.374	2.263	1	7	6	C=CCCn1cc(C(=O)Nc2cc(C)c(C(=O)OC)s2)nn1
342600485	ZINC000616999859	ref	7.22	-46.65	1	278.4	1.199	2	3	4	Cn1cncc1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
259309343	ZINC000323021610	ref	4.52	-35.2	1	240.372	2.232	2	2	5	CNC(=O)C[C@H](C)[NH2+][C@H](C)c1csc(C)c1
349534330	ZINC000602429983	mid	5.66	-12.51	0	226.28	1.56	0	5	6	CCCN(CC)Cc1cn(C)nc1[N+](=O)[O-]
349534332	ZINC000602430094	ref	5.67	-6.28	0	248.326	2.284	1	3	7	C=CCN(CC=C)Cc1cc(C)c(C(=O)OC)[nH]1
212165160	ZINC000335488306	ref	3.72	-15.71	0	252.314	0.483	1	3	3	CCC[C@H]1C(=O)NCCN1C(=O)[C@@H]1CCC(=O)C1
214182891	ZINC000278482937	ref	6.76	-19.44	0	321.384	2.242	1	5	3	Cc1ccn2ncc(C(=O)NCc3ccc4c(n3)CCCC4)c2n1
342087750	ZINC000621361569	ref	1.83	-36.24	1	259.39	1.113	3	3	5	C[C@@H]1CC[N@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CO
214182894	ZINC000278483916	ref	4.79	-12.53	0	321.398	2.69	0	5	5	COc1ccnc(CS(=O)(=O)c2ccc(C)cc2C)c1OC
230236078	ZINC000336790507	ref	-4.31	-18.45	0	280.346	-1.335	2	5	6	COCCCS(=O)(=O)N1CCC[C@](O)(C(N)=O)C1
342087751	ZINC000621361569	mid	2.06	-34.89	1	259.39	1.113	3	3	5	C[C@@H]1CC[N@@H+](C[C@H](O)COC(C)(C)C)C[C@@H]1CO
342087752	ZINC000600314269	ref	6.15	-18.25	0	276.292	1.908	0	4	2	Cc1cc(C(=O)N2CC3(CCCO3)C2)cc([N+](=O)[O-])c1
342087753	ZINC000600314294	ref	4.06	-19.18	0	293.388	1.57	0	3	3	C[S@](=O)Cc1cccc(C(=O)N2CC3(CCCO3)C2)c1
342087754	ZINC000622702294	ref	2.47	-15.58	0	296.754	1.143	2	3	5	COc1cccc(Cl)c1CC(=O)NC[C@H]1CNC(=O)C1
349534326	ZINC000618811298	ref	5.96	-18.87	0	252.362	1.846	0	4	6	CC[C@H](CC(=O)N(C)Cc1cn(C)nn1)C(C)C
214182898	ZINC000278484042	ref	0.13	-9.11	0	313.423	1.907	2	6	5	CCOC(=O)N[C@H]1CCCN(Cc2cnc([C@@H](C)O)s2)C1
214182902	ZINC000278484042	low	3.02	-48.25	1	313.423	1.907	3	5	5	CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc([C@@H](C)O)s2)C1
214182904	ZINC000278484042	low	2.34	-47.54	1	313.423	1.907	3	5	5	CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc([C@@H](C)O)s2)C1
214182907	ZINC000278483551	ref	5.52	-8.24	0	318.392	3.265	2	4	8	CCOc1ccc(CNc2ccc(N(C)CCO)cc2)cc1F
214182914	ZINC000278483232	ref	9.04	-12.53	0	322.412	1.865	1	4	2	Cc1cc(N2CCC[C@@H](NC(=O)C#Cc3ccccc3)C2)n(C)n1
214182919	ZINC000278484139	ref	7.26	-15.0	0	320.776	2.94	1	3	6	COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc(C=O)[nH]1
214182924	ZINC000278483337	ref	4.89	-12.04	0	317.393	1.161	1	4	5	CC(=O)N(C[C@H]1CCCN1C(=O)NCc1cccnn1)C1CC1
214182927	ZINC000278484368	ref	7.77	-43.54	1	314.393	1.161	3	4	5	C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ncnn1-c1ccccc1
214182932	ZINC000278484368	mid	7.24	-43.91	1	314.393	1.161	3	4	5	C[N@H+]1CCC[C@H]1CNC(=O)NCc1ncnn1-c1ccccc1
214182936	ZINC000278484368	high	5.09	-10.56	0	314.393	1.161	2	5	5	CN1CCC[C@H]1CNC(=O)NCc1ncnn1-c1ccccc1
214182940	ZINC000278484033	ref	9.14	-22.81	0	312.329	1.069	0	5	4	CN(C(=O)CCN1C(=O)c2ccccc2C1=O)c1nccn1C
214182944	ZINC000278483272	ref	1.03	-7.0	0	310.444	2.503	2	6	6	OCC[C@@]1(NCc2csc(-c3cccs3)n2)CCOC1
365631552	ZINC000336549618	mid	6.02	-50.5	-1	293.338	2.42	0	3	2	O=C(c1cc(F)ccc1[O-])N1CC[C@H](C2CCOCC2)C1
187168707	ZINC000125091088	ref	7.36	-15.94	0	294.761	2.868	1	4	4	C[C@H](NCc1cccc(Cl)c1F)c1nnc2n1CCC2
342594632	ZINC000590769570	ref	6.35	-11.85	0	291.355	1.252	2	6	6	Cn1ncc2c(=O)[nH]c(NCCCOC3CCCC3)nc21
365631561	ZINC000336549705	ref	5.15	-10.0	0	257.284	2.118	1	3	3	Cn1nccc1C(=O)NC1(C(F)F)CCCCC1
342594633	ZINC000590769355	ref	7.34	-10.53	0	275.356	1.729	2	5	3	C[C@H]1CCCC[C@@H]1CNc1nc2c(cnn2C)c(=O)[nH]1
342594634	ZINC000590769337	ref	5.03	-11.87	0	290.352	1.429	2	7	3	Cc1csc([C@H](C)Nc2nc3c(cnn3C)c(=O)[nH]2)n1
342594635	ZINC000590770291	ref	7.7	-11.45	0	299.334	1.819	2	6	4	C[C@@H]1C[C@H]1c1ccc(CNc2nc3c(cnn3C)c(=O)[nH]2)o1
187168708	ZINC000125091088	low	8.62	-48.98	1	294.761	2.868	1	3	4	C[C@H]([NH2+]Cc1cccc(Cl)c1F)c1nnc2n1CCC2
342594636	ZINC000590770211	ref	6.24	-18.67	0	269.312	1.391	1	6	2	c1cn([C@@H]2CCCN(c3ncnc4n[nH]cc34)C2)cn1
365631573	ZINC000336549600	ref	4.26	-10.23	0	289.441	2.253	0	3	2	C[C@H]1N(S(=O)(=O)CC(C)(C)C)CCC12CCOCC2
365631582	ZINC000336549391	ref	7.31	-38.05	1	274.339	2.472	2	2	3	Cn1cccc1C[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1
365631589	ZINC000336549391	mid	6.31	-37.58	1	274.339	2.472	2	2	3	Cn1cccc1C[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1
365631595	ZINC000336549391	mid	5.3	-5.84	0	274.339	2.472	1	3	3	Cn1cccc1CN1C[C@@H](O)C[C@H]1c1cccc(F)c1
365631602	ZINC000336549785	ref	5.54	-45.97	1	259.415	2.076	1	2	3	C[N@H+](C[C@@H]1CCCS(=O)(=O)C1)C1(C)CCCC1
197591146	ZINC000162776793	ref	4.87	-14.25	0	302.378	2.261	1	5	7	CCCN(CC)c1ccc(-c2nc(CC(=O)NC)no2)cc1
365631610	ZINC000336549785	mid	5.58	-47.47	1	259.415	2.076	1	2	3	C[N@@H+](C[C@@H]1CCCS(=O)(=O)C1)C1(C)CCCC1
365631617	ZINC000336549785	high	3.82	-9.69	0	259.415	2.076	0	3	3	CN(C[C@@H]1CCCS(=O)(=O)C1)C1(C)CCCC1
365631624	ZINC000336549885	ref	5.67	-8.43	0	275.348	2.223	0	3	1	C[C@@H]1CN(C(=O)[C@]2(C)CCOC2)Cc2ccccc2O1
178305763	ZINC000044183900	low	6.12	-30.22	1	218.3	2.595	1	2	2	Cc1cc2[nH+]cn([C@@H](C)[C@H](C)O)c2cc1C
295666192	ZINC000334298943	ref	5.7	-7.7	0	289.466	1.989	1	4	2	CS[C@H]1CCCCN(C(=O)C2(O)CCSCC2)C1
295666193	ZINC000151161156	ref	10.21	-16.73	0	337.445	2.775	0	5	5	CS[C@H]1CCCCN(C(=O)CN(C)c2ccccc2[N+](=O)[O-])C1
323004401	ZINC000566510947	mid	8.77	-26.45	0	245.338	2.7	1	2	8	CC[C@](C)(C(=O)[O-])[N@@H+](CC[C@H](C)F)CC1CC1
398248132	ZINC000651458110	ref	6.81	-7.61	0	280.368	3.084	1	3	5	C[C@@H](COCC1CC1)N=c1[nH]c2cccc(F)c2s1
178299812	ZINC000237147725	ref	7.5	-62.51	-1	363.801	1.899	0	6	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1
214182901	ZINC000293546212	ref	2.57	-13.35	0	354.359	0.337	2	7	8	CCOc1ccc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)cc1OC
342087755	ZINC000600314275	ref	5.52	-18.27	0	293.294	1.617	0	4	2	COC(=O)c1ccc(C(=O)N2CC3(CCCO3)C2)cc1F
136229081	ZINC000232473080	low	4.88	-126.3	2	248.326	1.299	2	2	4	c1cc2c(cc1C[NH2+]C[C@@H]1CCC[NH2+]1)OCCO2
178299816	ZINC000237152436	ref	4.57	-55.33	1	373.457	1.717	2	6	7	COc1ccccc1O[C@@H](C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C
178299818	ZINC000237153584	ref	9.04	-73.59	-1	373.384	1.814	0	6	4	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1
178299820	ZINC000237143391	ref	3.43	-57.73	1	355.46	1.197	1	4	4	C[NH2+]C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1
178299821	ZINC000237147945	ref	4.29	-50.19	1	360.195	1.782	2	2	3	COc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)c(I)c1
178299824	ZINC000237152078	ref	9.42	-69.69	-1	373.384	1.814	0	6	4	CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1
178299825	ZINC000237152672	ref	4.65	-52.19	1	351.472	1.223	1	3	3	C[NH2+]C1CCN(C(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)CC1
178299828	ZINC000237151965	ref	7.11	-70.96	0	369.443	1.377	1	6	8	Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)o1
178299830	ZINC000237151965	mid	4.65	-53.73	-1	369.443	1.377	0	7	8	Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)o1
178299832	ZINC000237148844	ref	7.42	-59.63	1	370.446	1.765	1	4	6	COC(=O)c1ccc(F)cc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1
214182906	ZINC000293550634	ref	1.44	-24.55	0	372.468	0.178	1	7	4	CC(=O)c1cc(C(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1
214182909	ZINC000293544500	ref	2.73	-55.94	1	362.455	0.324	2	4	2	C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1
214182912	ZINC000293546083	ref	1.23	-10.83	0	364.146	0.916	3	3	3	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1c(F)cc(Br)cc1F
214182916	ZINC000293545382	ref	7.64	-26.79	0	353.423	0.847	1	7	6	Cn1cnnc1COCC(=O)NC[C@H]1CCCN1C(=O)OC(C)(C)C
214182926	ZINC000293545433	ref	1.93	-21.57	0	368.455	0.897	2	5	6	COc1cccc(C(=O)NCC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)c1
342594637	ZINC000590770211	low	6.75	-51.21	1	269.312	1.391	1	5	2	c1nc(N2CCC[C@@H](n3cc[nH+]c3)C2)c2c[nH]nc2n1
230724336	ZINC000414275871	ref	5.76	-12.49	0	303.374	3.087	1	2	4	C[C@@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)CC(C)(C)C
365631555	ZINC000625063506	ref	-1.16	-15.77	0	317.317	2.004	1	5	4	Cc1nnc([C@H](C)NS(=O)(=O)c2ccc(C)c(F)c2F)o1
187168709	ZINC000125082512	ref	6.73	-11.37	0	285.746	2.978	0	2	3	CN(C[C@H]1CCCOC1)C(=O)c1ccc(F)c(Cl)c1
342594638	ZINC000616962118	ref	1.98	-23.77	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cccc(Cl)c1F
365631569	ZINC000625063506	mid	-1.32	-48.47	-1	317.317	2.004	0	5	4	Cc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)o1
365631579	ZINC000625063465	ref	7.52	-11.65	0	322.453	2.299	0	6	6	CC(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N(C)CC1(C)COC1
185087424	ZINC000096071670	mid	11.35	-43.71	1	298.43	3.366	1	1	3	Cc1ccccc1N1C[C@@]2(CCCC[N@H+]2CC2CC2)CC1=O
398248133	ZINC000651458109	ref	6.81	-7.64	0	280.368	3.084	1	3	5	C[C@H](COCC1CC1)N=c1[nH]c2cccc(F)c2s1
282121890	ZINC000425611882	high	7.23	-5.97	0	314.429	2.323	0	3	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@H]1C[C@@]12CCOC2
185087425	ZINC000096071670	high	9.22	-7.18	0	298.43	3.366	0	2	3	Cc1ccccc1N1C[C@@]2(CCCCN2CC2CC2)CC1=O
306234636	ZINC000557906493	ref	-1.13	-18.88	0	345.359	1.025	2	6	4	Cc1ccc(-c2nnco2)cc1NC(=O)NCC(=O)N1CCOCC1
187168710	ZINC000125089715	ref	7.64	-53.01	1	298.39	1.625	1	3	4	C[C@@H]1C[NH2+]CCN1C(=O)CCc1cnn(-c2ccccc2)c1
187168711	ZINC000125089715	mid	6.31	-10.55	0	298.39	1.625	1	4	4	C[C@@H]1CNCCN1C(=O)CCc1cnn(-c2ccccc2)c1
342594639	ZINC000590770019	ref	8.54	-38.8	1	283.339	1.401	0	7	2	Cn1ncc2c(N3CCC[C@H](n4ccnc4)C3)ncnc21
282121893	ZINC000427791445	ref	6.95	-7.36	0	348.443	2.897	1	2	4	C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1
365631594	ZINC000625066808	ref	3.87	-10.02	0	312.772	2.041	1	3	2	O=C1[C@H](N2CCC[C@@H](O)C2)CCN1c1ccc(Cl)cc1F
365631599	ZINC000625066808	low	6.27	-39.44	1	312.772	2.041	2	2	2	O=C1[C@H]([N@@H+]2CCC[C@@H](O)C2)CCN1c1ccc(Cl)cc1F
343994894	ZINC000079946307	ref	5.51	-32.53	0	266.659	2.42	2	2	2	O=C(Nc1c[nH]ccc1=O)c1cccc(F)c1Cl
212165445	ZINC000335489112	ref	6.26	-8.71	0	269.291	3.378	1	2	3	C[C@H]1C[C@H](C(=O)Nc2ccccc2C(F)F)CCO1
282121902	ZINC000427791445	mid	6.95	-7.36	0	348.443	2.897	0	3	4	CN(C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1
230724344	ZINC000450369273	ref	8.2	-18.53	0	313.357	1.563	0	5	3	COC(=O)c1ccc2c(c1)CN(C(=O)Cn1ccc(C)n1)CC2
178299814	ZINC000073635972	ref	4.7	-8.32	0	224.263	3.507	0	3	1	Cc1cc2nc(-c3ccncc3)oc2cc1C
190493221	ZINC000269425602	ref	8.55	-12.31	0	258.369	3.249	1	4	5	CC[C@H](C)CNc1cccc(-c2nnc(C)n2C)c1
299072148	ZINC000567664079	ref	4.58	-43.17	1	266.728	2.039	2	2	3	COc1c(Cl)cccc1NC(=O)[C@]12C[C@H]1CC[NH2+]2
230724350	ZINC000450369401	ref	8.51	-24.37	0	318.377	1.713	1	6	5	CC(C)OC(C)(C)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1
259309344	ZINC000323021610	high	3.49	-6.99	0	240.372	2.232	2	3	5	CNC(=O)C[C@H](C)N[C@H](C)c1csc(C)c1
349534327	ZINC000594968531	ref	8.36	-48.98	1	263.41	2.753	1	3	9	C=CCCSCC[NH2+]Cc1cnc(C2CC2)nc1
214182930	ZINC000293541394	ref	2.1	-14.82	0	353.85	0.828	2	4	5	CC(=O)N1CCN(CCNC(=O)[C@](C)(O)c2ccc(Cl)cc2)CC1
398248134	ZINC000651457756	ref	7.76	-6.35	0	277.393	3.227	1	5	6	Cc1csc2c(N[C@@H](C)COCC3CC3)ncnc12
398248135	ZINC000651458064	ref	6.82	-4.56	0	299.212	3.38	1	3	6	Cc1cc(N[C@H](C)COCC2CC2)ncc1Br
178299822	ZINC000339372319	ref	4.61	-11.54	0	242.282	2.78	2	4	3	Cc1cc2n[nH]cc2cc1NCc1conc1C
178299826	ZINC000352930064	ref	3.59	-11.37	0	241.298	2.515	3	3	3	Cc1cc2n[nH]cc2cc1NCc1n[nH]cc1C
178299833	ZINC000352930064	mid	3.57	-10.52	0	241.298	2.515	3	3	3	Cc1cc2n[nH]cc2cc1NCc1[nH]ncc1C
178299838	ZINC000051105102	ref	9.96	-8.6	0	248.329	4.35	1	1	2	Cc1cc2nc(/C=C\c3ccccc3)[nH]c2cc1C
178299846	ZINC000051105102	low	9.94	-24.08	1	248.329	4.35	1	0	2	Cc1cc2[nH]c(/C=C\c3ccccc3)[nH+]c2cc1C
178299850	ZINC000036226535	ref	6.53	-8.37	0	236.072	2.277	0	3	0	Cc1cc2nc(C#N)cn2cc1Br
136229082	ZINC000184919784	ref	6.38	-11.39	0	230.311	2.452	1	2	5	CC#CCCCC(=O)N[C@H](C)c1cccnc1
214182933	ZINC000293541394	low	4.35	-56.21	1	353.85	0.828	3	3	5	CC(=O)N1CC[NH+](CCNC(=O)[C@](C)(O)c2ccc(Cl)cc2)CC1
214182937	ZINC000293542561	ref	9.0	-25.78	0	350.81	0.729	0	7	5	Cn1cnnc1COCC(=O)N1CCN(c2ccc(Cl)cn2)CC1
214182942	ZINC000293553933	ref	4.55	-18.57	0	373.457	0.95	0	7	8	COCCn1nnc2c1CCN(CC(=O)N(C)Cc1cccc(OC)c1)C2
214182949	ZINC000293551091	ref	0.81	-23.25	0	367.42	0.632	1	6	6	COC(=O)c1cc(S(=O)(=O)N[C@H](C)CS(C)(=O)=O)c(F)cc1C
214182950	ZINC000293551091	high	1.12	-54.53	-1	367.42	0.632	0	6	6	COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)CS(C)(=O)=O)c(F)cc1C
343993661	ZINC000079915274	low	10.07	-45.26	1	293.374	2.405	1	4	4	C[N@H+](Cc1cccc2cccnc12)Cc1nnc2n1CCC2
187168712	ZINC000125082997	ref	4.65	-9.0	0	292.379	2.37	2	3	5	COc1cc(C)ccc1CNC(=O)N[C@@H](C)[C@@H]1CCCO1
187168713	ZINC000125081239	ref	6.41	-6.43	0	276.361	3.176	0	5	6	CCOc1cc(SCc2ccccc2OC)ncn1
398248136	ZINC000651457407	ref	6.64	-2.93	0	258.724	3.101	1	3	6	C[C@H](COCC1CC1)Nc1ncc(Cl)cc1F
187168715	ZINC000125087497	ref	4.52	-9.17	0	264.291	2.048	0	2	4	C=CCCC(=O)N1CCN(CC(F)(F)F)[C@@H](C)C1
197591158	ZINC000290088387	ref	5.66	-18.64	0	299.33	1.999	2	4	4	CN(C)C(=O)c1ccc(CNc2cccc3c2COC3=O)[nH]1
342087756	ZINC000600314279	ref	7.12	-17.49	0	290.319	1.837	0	4	3	Cc1c(CC(=O)N2CC3(CCCO3)C2)cccc1[N+](=O)[O-]
282121892	ZINC000422799421	ref	8.46	-110.96	2	274.452	3.332	2	0	7	CCC(CC)(C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1
187168716	ZINC000125084243	ref	8.67	-41.14	1	292.335	2.693	1	4	4	CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1
342087757	ZINC000622702269	ref	3.18	-13.46	0	252.358	1.455	2	2	4	CC(C)(C(=O)NC[C@H]1CNC(=O)C1)C1CCCC1
342087758	ZINC000621361897	ref	3.74	-38.5	1	293.407	1.514	3	3	7	C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1CO
323004428	ZINC000026196406	ref	0.48	-11.89	0	241.335	0.112	2	3	5	CCC[C@@H](C)NC(=O)[C@@H](C)N1CCNC(=O)C1
342087759	ZINC000621361897	mid	3.97	-37.24	1	293.407	1.514	3	3	7	C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C[C@@H]1CO
342087760	ZINC000600314179	ref	5.9	-47.66	1	293.411	1.545	2	3	4	C[N@@H+]1CCCC[C@@H](CNC(=O)CC2(C#N)CCOCC2)C1
342087761	ZINC000600314179	mid	5.73	-47.85	1	293.411	1.545	2	3	4	C[N@H+]1CCCC[C@@H](CNC(=O)CC2(C#N)CCOCC2)C1
342087762	ZINC000622702282	ref	4.6	-15.65	0	274.364	1.605	2	2	5	CC(C)c1cccc(CC(=O)NC[C@@H]2CNC(=O)C2)c1
342087763	ZINC000600314597	ref	6.51	-20.96	0	262.265	1.6	0	4	2	O=C(c1ccccc1[N+](=O)[O-])N1CC2(CCCO2)C1
342087764	ZINC000622702283	ref	4.6	-15.72	0	274.364	1.605	2	2	5	CC(C)c1cccc(CC(=O)NC[C@H]2CNC(=O)C2)c1
342087765	ZINC000046784907	ref	6.9	-13.83	0	295.335	1.902	0	5	5	COC(=O)c1cc(CN(C)C(=O)C[C@H]2CCCO2)oc1C
342087766	ZINC000621362409	ref	2.55	-37.82	1	299.436	1.576	3	4	7	C[C@@H]1CC[N@H+](C[C@H](O)COCc2cccs2)C[C@H]1CO
342087767	ZINC000621362409	mid	3.03	-37.52	1	299.436	1.576	3	4	7	C[C@@H]1CC[N@@H+](C[C@H](O)COCc2cccs2)C[C@H]1CO
342087768	ZINC000046788422	ref	3.3	-42.81	1	271.386	1.15	2	4	8	COCC[N@H+](C)CCCNC(=O)c1scnc1C
342087769	ZINC000046788422	mid	3.3	-43.05	1	271.386	1.15	2	4	8	COCC[N@@H+](C)CCCNC(=O)c1scnc1C
342087770	ZINC000046788422	high	0.86	-9.25	0	271.386	1.15	1	5	8	COCCN(C)CCCNC(=O)c1scnc1C
230724354	ZINC000450371921	ref	4.21	-8.81	0	324.178	1.59	1	5	2	OC[C@H]1CN(c2ncnc3cc(Br)ccc23)CCO1
361823266	ZINC000599874509	ref	3.29	-14.78	0	271.313	0.272	1	5	8	C=CCOC[C@@H](NC(=O)C1CC(OC)C1)C(=O)OC
361823273	ZINC000599869577	ref	1.63	-9.02	0	288.307	0.418	2	5	2	CNc1ccc(NC(=O)C(=O)N2CCO[C@H](C#N)C2)cc1
136229083	ZINC000184906471	ref	3.37	-14.24	0	238.331	1.313	1	2	4	C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](C(N)=O)C1
361823281	ZINC000599874220	ref	3.1	-18.32	0	294.307	0.892	1	6	7	COC(=O)c1ncoc1COCC(=O)N[C@@H]1C[C@H]1C1CC1
214724949	ZINC000299563910	ref	-0.81	-20.49	0	370.475	0.857	4	4	6	C[C@@H](NC(=O)NCCNC(=O)C(C)(C)C)c1cccc(S(N)(=O)=O)c1
214724953	ZINC000299566799	ref	2.4	-35.34	1	367.446	0.851	4	5	10	CC[NH+](CC)CCOc1cc(NC(=O)C(=O)N[C@H](C)CO)ccc1OC
342087771	ZINC000622702295	ref	2.47	-15.61	0	296.754	1.143	2	3	5	COc1cccc(Cl)c1CC(=O)NC[C@@H]1CNC(=O)C1
342087772	ZINC000621362444	ref	6.18	-32.07	1	296.455	1.83	2	2	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](CO)C2)C1
342087773	ZINC000621362444	mid	6.28	-36.04	1	296.455	1.83	2	2	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](CO)C2)C1
342087774	ZINC000621362444	high	3.92	-8.32	0	296.455	1.83	1	3	3	C[C@H]1C[C@@H](C)CN(C(=O)[C@H](C)N2CC[C@H](C)[C@@H](CO)C2)C1
342087775	ZINC000621361898	ref	3.47	-37.96	1	293.407	1.514	3	3	7	C[C@@H]1CC[N@H+](C[C@H](O)COCc2ccccc2)C[C@H]1CO
342087776	ZINC000621361898	mid	3.95	-37.43	1	293.407	1.514	3	3	7	C[C@@H]1CC[N@@H+](C[C@H](O)COCc2ccccc2)C[C@H]1CO
342087777	ZINC000600314007	ref	4.01	-11.56	0	295.27	1.321	1	5	2	Nc1c(C(=O)N2CC3(CCCO3)C2)cc(F)cc1[N+](=O)[O-]
342087778	ZINC000033825650	ref	5.75	-18.96	0	291.347	1.907	0	4	6	COc1ccc(C(=O)CCCC(=O)N2CCOCC2)cc1
342087779	ZINC000600314247	ref	8.39	-12.97	0	279.336	1.648	0	4	6	CCc1cccc(OCC(=O)N(C)[C@@H](C)C(=O)OC)c1
342087780	ZINC000625368310	ref	7.0	-9.4	0	250.346	1.47	0	5	5	CCO[C@@H](CN1CCn2cnnc2[C@@H]1C)C1CC1
342087781	ZINC000625368310	low	8.68	-48.4	1	250.346	1.47	1	4	5	CCO[C@@H](C[N@@H+]1CCn2cnnc2[C@@H]1C)C1CC1
342087782	ZINC000625368310	low	9.07	-45.91	1	250.346	1.47	1	4	5	CCO[C@@H](C[N@H+]1CCn2cnnc2[C@@H]1C)C1CC1
342087783	ZINC000600314180	ref	5.83	-47.89	1	293.411	1.545	2	3	4	C[N@@H+]1CCCC[C@H](CNC(=O)CC2(C#N)CCOCC2)C1
365631574	ZINC000623063023	ref	3.8	-18.8	0	316.345	1.213	0	3	6	CCN(CCC(F)(F)F)C(=O)CCN1CCCS1(=O)=O
365631580	ZINC000623063263	ref	6.73	-16.6	0	308.3	1.717	0	3	7	CCN(CCC(F)(F)F)C(=O)CCCN1C(=O)CCC1=O
365631593	ZINC000623062688	ref	5.07	-57.06	1	315.381	1.173	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@](C)(C[NH3+])C1
365631605	ZINC000623062429	ref	5.02	-23.14	0	318.295	1.965	1	3	7	CCN(CCC(F)(F)F)C(=O)c1ccccc1OCC(N)=O
365631615	ZINC000623062729	ref	2.19	-59.09	1	305.313	1.558	3	4	4	O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1ccc(-c2ncon2)cc1
365631622	ZINC000623062729	high	0.77	-17.07	0	305.313	1.558	3	5	4	O=C(NC[C@@H]1C[C@H](F)CN1)Nc1ccc(-c2ncon2)cc1
365631632	ZINC000623062147	ref	5.36	-11.62	0	310.316	1.282	0	3	7	CCN(CCC(F)(F)F)C(=O)[C@@H]1CC(=O)N(CCOC)C1
365631643	ZINC000623063471	ref	3.04	-60.35	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC
365631656	ZINC000623062385	ref	2.73	-48.69	1	304.213	1.717	1	3	2	C[C@]1(C[NH3+])CCN(C(=O)c2ncc(Br)s2)C1
365631668	ZINC000623063190	ref	5.41	-48.96	1	314.433	1.144	1	2	1	O=C(N1CCc2ccccc2C1)N1CC[C@H](N2CC[NH2+]CC2)C1
365631675	ZINC000623063332	ref	3.05	-46.24	1	311.794	1.749	1	4	2	[NH3+]C[C@@H]1CN(C(=O)c2nc3cc(Cl)ccc3s2)CCO1
282121895	ZINC000422799421	high	7.44	-39.8	1	274.452	3.332	2	1	7	CCC(CC)(CN[C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1
282121898	ZINC000269043256	ref	6.59	-37.36	1	319.493	3.01	3	2	10	CCC(CC)(C[NH2+][C@H](C)CC(=O)NC)N[C@@H](C)c1ccccc1
282121899	ZINC000269043256	mid	6.23	-28.73	1	319.493	3.01	3	2	10	CCC(CC)(CN[C@H](C)CC(=O)NC)[NH2+][C@@H](C)c1ccccc1
365631684	ZINC000623061638	ref	5.16	-65.01	1	315.381	1.314	2	5	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@H]([NH3+])C[C@@H]1C
230724399	ZINC000425417792	ref	4.75	-10.34	0	308.422	2.014	1	3	3	O=C(NC[C@H]1CCOC1)N1CC2(CCC2)[C@H]1C1CCOCC1
230724402	ZINC000425418786	ref	3.29	-8.4	0	302.465	2.086	0	4	4	C[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H]1C
230724404	ZINC000425418786	mid	5.91	-44.11	1	302.465	2.086	1	3	4	C[C@H]1C[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)C[C@@H]1C
365631696	ZINC000623062046	ref	3.46	-51.15	1	300.362	1.043	3	3	3	CC1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CC[NH2+]CC1
365631706	ZINC000623062046	mid	2.4	-77.33	0	300.362	1.043	2	3	3	CC1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC[NH2+]CC1
282121901	ZINC000269043256	low	7.26	-103.84	2	319.493	3.01	3	1	10	CCC(CC)(C[NH2+][C@H](C)CC(=O)NC)[NH2+][C@@H](C)c1ccccc1
178299835	ZINC000237151991	ref	2.56	-47.06	1	365.249	1.203	1	4	5	COC(=O)c1ccc(S(=O)(=O)N(C)[C@@H](C)C[NH3+])c(Br)c1
178299839	ZINC000237149483	ref	5.84	-44.64	1	373.457	1.425	1	6	8	C[NH2+]C[C@@H]1CCCN1C(=O)c1nn(-c2ccc(OCCOC)cc2)nc1C
178299842	ZINC000237139594	ref	2.38	-49.71	1	361.183	1.966	2	2	5	C[NH2+]CCNS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1
214182947	ZINC000278483272	mid	2.11	-40.9	1	310.444	2.503	2	5	6	OCC[C@@]1([NH2+]Cc2csc(-c3cccs3)n2)CCOC1
214182952	ZINC000278483875	ref	2.6	-14.12	0	308.304	2.197	2	4	6	CC[C@H](C)[C@H](NC(=O)NCCc1nc(C)no1)C(F)(F)F
214182956	ZINC000278484586	ref	8.27	-15.06	0	302.418	2.867	2	2	6	CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H](C)c1ccccc1C
214182959	ZINC000278483229	ref	9.03	-12.09	0	322.412	1.865	1	4	2	Cc1cc(N2CCC[C@H](NC(=O)C#Cc3ccccc3)C2)n(C)n1
214182965	ZINC000278484157	ref	4.84	-11.99	0	322.449	3.477	3	3	6	COc1cc(C)c(NC(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1C
214182970	ZINC000278484357	ref	9.94	-53.2	1	301.459	3.495	2	2	3	c1ccc2[nH]c(C3CC[NH+](C[C@@H]4CCSC4)CC3)nc2c1
214182975	ZINC000278483661	ref	5.17	-16.13	0	315.377	1.877	1	6	4	CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1
214182982	ZINC000278484521	ref	2.97	-5.93	0	304.232	2.021	1	4	4	CN(Cc1c(Br)cnn1C)[C@@H](CO)C(C)(C)C
178299843	ZINC000237138948	ref	4.76	-63.83	0	360.863	1.795	2	4	6	COC(=O)c1cc(Cl)ccc1S(=O)(=O)NCC[C@H]1CCC[NH2+]C1
230724363	ZINC000450369429	ref	7.2	-15.9	0	313.405	1.234	3	5	7	CNc1nc(NCCCNC(=O)C2CCC2)nc2ccccc12
214182985	ZINC000278484521	low	4.37	-36.85	1	304.232	2.021	2	3	4	Cn1ncc(Br)c1C[N@H+](C)[C@@H](CO)C(C)(C)C
214182988	ZINC000278484521	low	4.47	-33.47	1	304.232	2.021	2	3	4	Cn1ncc(Br)c1C[N@@H+](C)[C@@H](CO)C(C)(C)C
178299845	ZINC000237138948	high	4.76	-63.83	0	360.863	1.795	1	4	6	COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]CC[C@H]1CCC[NH2+]C1
178299848	ZINC000237153457	ref	6.44	-97.06	2	374.464	1.683	3	4	6	Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)nnn1C1CC[NH2+]CC1
178299852	ZINC000237153457	mid	3.91	-52.38	1	374.464	1.683	2	5	6	Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)nnn1C1CC[NH2+]CC1
178299854	ZINC000237138565	ref	9.64	-53.53	-1	359.308	1.236	0	7	5	Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CC(=O)[O-]
214182992	ZINC000278483612	ref	6.37	-42.24	1	306.258	3.37	2	2	5	O[C@@H](C[NH2+]C[C@@H]1CCSC1)c1c(Cl)cccc1Cl
178305765	ZINC000019485242	ref	6.42	-45.68	1	230.315	2.369	2	2	4	Cc1cc2ncn(CCCC(N)=[NH2+])c2cc1C
349534329	ZINC000594968531	high	7.01	-5.35	0	263.41	2.753	1	4	9	C=CCCSCCNCc1cnc(C2CC2)nc1
349534333	ZINC000594967671	ref	6.96	-10.3	0	295.39	2.9	1	5	5	CC(C)(NCc1cn(C2CCC2)nn1)c1cccc(C#N)c1
365631583	ZINC000617414805	mid	2.69	-19.16	0	259.313	0.553	1	5	2	CN1CCC[C@@H](NC(=O)c2cnn3cccnc23)C1
230724367	ZINC000414274870	ref	6.49	-14.1	0	301.839	3.463	1	2	5	CC(C)(C)C[S@](=O)CCC(=O)Nc1ccccc1Cl
190493225	ZINC000269424090	ref	3.59	-8.95	0	296.219	2.875	2	3	6	C[C@H](CO)NC(=O)CCCc1cc(Cl)sc1Cl
349534336	ZINC000594967671	mid	8.05	-50.62	1	295.39	2.9	1	4	5	CC(C)([NH2+]Cc1cn(C2CCC2)nn1)c1cccc(C#N)c1
365631592	ZINC000617415157	ref	4.41	-43.78	1	269.389	0.748	3	2	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1
365631597	ZINC000617415157	mid	4.93	-45.19	1	269.389	0.748	3	2	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCC[N@@H+](C)C1
365631601	ZINC000617415157	mid	2.05	-8.88	0	269.389	0.748	2	3	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCCN(C)C1
365631612	ZINC000617411686	ref	6.85	-52.66	1	286.339	0.486	2	5	3	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1
230724383	ZINC000414277644	ref	8.61	-46.98	1	318.461	3.244	1	2	8	C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc(C(=O)N(C)C)cc1
349534339	ZINC000594967178	ref	5.93	-45.8	1	257.443	2.7	1	1	4	C[C@H]([NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1)[C@H]1CC1(C)C
230724386	ZINC000414278148	ref	10.57	-46.93	1	315.808	3.06	1	4	5	C[C@H]([NH2+]Cc1nc2ncccn2n1)[C@@H](C)c1ccc(Cl)cc1
230724389	ZINC000414278148	mid	9.38	-15.19	0	315.808	3.06	1	5	5	C[C@H](NCc1nc2ncccn2n1)[C@@H](C)c1ccc(Cl)cc1
349534341	ZINC000594968293	ref	6.62	-50.89	1	265.422	2.774	1	1	4	Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
349534343	ZINC000594967507	ref	6.3	-45.12	1	295.448	2.865	1	2	6	CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
349534344	ZINC000594967507	high	5.09	-13.41	0	295.448	2.865	1	3	6	CCOc1ccccc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1
349534346	ZINC000594968290	ref	6.84	-52.58	1	265.422	2.774	1	1	4	Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1
342087784	ZINC000600314180	mid	5.9	-47.27	1	293.411	1.545	2	3	4	C[N@H+]1CCCC[C@H](CNC(=O)CC2(C#N)CCOCC2)C1
299072150	ZINC000358088144	mid	8.69	-89.51	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@H]1C
282123625	ZINC000449156228	high	5.85	-14.3	0	250.317	2.103	1	2	4	CCCN[C@@H](C)C(=O)N1CCc2cccc(F)c21
230724392	ZINC000414276486	ref	8.32	-51.29	1	317.408	3.378	1	3	6	CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1cccc(F)c1
342087785	ZINC000600313996	ref	5.49	-16.95	0	278.377	1.706	0	4	4	O=C(CSCc1ccccn1)N1CC2(CCCO2)C1
342087786	ZINC000600314002	ref	5.48	-20.2	0	275.304	1.478	0	4	2	COC(=O)c1cccc(C(=O)N2CC3(CCCO3)C2)c1
342087787	ZINC000033806701	ref	3.03	-1.43	0	271.917	1.788	0	3	0	O=C1SC(=O)C(Br)=C1Br
342087788	ZINC000622702262	ref	3.87	-13.95	0	252.358	1.599	2	2	6	O=C(CCCC1CCCC1)NC[C@@H]1CNC(=O)C1
349534331	ZINC000618811963	ref	3.37	-44.46	-1	280.715	1.446	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc([O-])c(Cl)c1
136229084	ZINC000232465540	ref	4.94	-33.69	1	241.338	2.076	2	2	4	c1cnc2c(CNC[C@H]3CCC[NH2+]3)cccc2c1
349534334	ZINC000618811963	mid	2.6	-13.34	0	280.715	1.446	1	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(O)c(Cl)c1
282121897	ZINC000124208620	mid	7.28	-49.58	1	334.468	1.321	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C)CC2
282121900	ZINC000333490171	ref	4.59	-55.51	1	292.387	0.293	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C)CC2
295666194	ZINC000366519369	ref	6.56	-13.61	0	339.461	1.595	1	4	3	CS[C@H]1CCCCN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)C1
295666195	ZINC000366513925	ref	8.28	-8.88	0	255.427	3.311	0	2	2	CS[C@H]1CCCCN(C(=O)C2(C)CCCC2)C1
342087789	ZINC000618611524	ref	3.29	-9.09	0	262.3	1.31	2	2	4	CC(C)(C)C(=O)NCC(=O)NC[C@@]1(C)CC1(F)F
282121907	ZINC000333490171	high	3.34	-14.81	0	292.387	0.293	2	5	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)NC[C@H]1C)CC2
349534337	ZINC000618811245	ref	5.31	-20.7	0	264.354	1.639	0	5	4	C[C@H](C(=O)N(C)Cc1cn(C)nn1)c1ccsc1
349535945	ZINC000621245930	ref	3.58	-33.58	1	265.357	2.342	1	4	4	COCC1(c2nc([C@@H]3CCC[NH2+]3)no2)CCCCC1
398248137	ZINC000625687308	ref	4.58	-6.32	0	236.34	2.295	1	3	3	CC(C)(NC(=O)C12CC(C1)C2)c1nccs1
190493239	ZINC000269425598	ref	8.54	-12.28	0	258.369	3.249	1	4	5	CC[C@@H](C)CNc1cccc(-c2nnc(C)n2C)c1
214724945	ZINC000279232357	ref	2.42	-48.01	1	318.417	2.048	4	3	8	OCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1cccc2[nH]ccc12
342087790	ZINC000600314664	ref	4.88	-17.21	0	291.307	1.641	1	5	3	CNc1c(C(=O)N2CC3(CCCO3)C2)cccc1[N+](=O)[O-]
342087791	ZINC000600314590	ref	6.62	-22.22	0	276.292	1.908	0	4	2	Cc1cccc([N+](=O)[O-])c1C(=O)N1CC2(CCCO2)C1
342087792	ZINC000600313983	ref	5.78	-14.17	0	281.352	1.357	0	4	2	COC(=O)[C@H]1CCC[C@H](C(=O)N2CC3(CCCO3)C2)C1
342087793	ZINC000600314238	ref	5.71	-13.88	0	295.295	1.27	1	6	5	CNc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC)cc1[N+](=O)[O-]
342087794	ZINC000600314221	ref	6.39	-41.65	1	251.374	1.774	2	2	4	CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
187168717	ZINC000125084243	mid	8.76	-42.36	1	292.335	2.693	1	4	4	CC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1
365631604	ZINC000625066808	low	6.05	-38.89	1	312.772	2.041	2	2	2	O=C1[C@H]([N@H+]2CCC[C@@H](O)C2)CCN1c1ccc(Cl)cc1F
365631614	ZINC000625065446	ref	6.07	-12.44	0	308.344	2.482	1	2	5	CCCC(=O)N[C@H]1CCCN(C(=O)C[C@H](C)C(F)(F)F)C1
187168718	ZINC000125084243	mid	5.85	-6.34	0	292.335	2.693	0	5	4	CC[C@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1
230724366	ZINC000450369429	low	7.57	-31.15	1	313.405	1.234	3	4	7	CNc1nc(NCCCNC(=O)C2CCC2)[nH+]c2ccccc12
398248138	ZINC000076847294	ref	5.04	-40.06	1	242.363	1.404	2	2	7	CCOCCC(=O)NCC1([NH+](C)C)CCCC1
230724369	ZINC000450368758	ref	4.42	-17.38	0	304.394	1.184	2	4	7	CC(C)C(=O)NCCCNC(=O)c1ccc(N2CCC2)nc1
365631625	ZINC000625065070	ref	5.72	-12.95	0	313.357	2.48	1	5	4	COc1cccc2c1OCC[C@H]2NC(=O)c1cnn(C2CC2)c1
230724375	ZINC000450367602	ref	4.83	-18.44	0	323.418	1.317	2	4	5	CN(C)C(=O)NCCNC(=O)C[C@H]1CSc2ccccc2O1
365631630	ZINC000625065264	ref	6.9	-13.25	0	311.393	2.356	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)Cc1ccccn1
365631641	ZINC000625065825	ref	3.31	-10.16	0	316.511	2.008	0	4	7	CCC[C@H](C)CCCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1
365631649	ZINC000625065825	low	5.73	-48.5	1	316.511	2.008	1	3	7	CCC[C@H](C)CCC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1
365631658	ZINC000625066276	ref	4.57	-11.72	0	319.373	2.019	1	3	9	C=C(C)COCCNS(=O)(=O)CCc1c(F)cccc1F
230724391	ZINC000450368553	ref	2.89	-38.47	-1	314.345	1.342	0	5	4	COc1ccc(-c2noc(=N[C@@H]3CC(=O)N(C4CC4)C3)[n-]2)cc1
342087795	ZINC000600314221	mid	6.58	-41.63	1	251.374	1.774	2	2	4	CC[C@](C)(C#N)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
365631667	ZINC000625063155	ref	6.36	-10.71	0	320.437	2.196	0	6	4	CC(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N1CC2(CCCO2)C1
212165449	ZINC000335488611	ref	8.56	-6.9	0	275.396	3.154	0	3	2	CC(C)(C)C[C@@H]1CCN(C(=O)c2ccncn2)C1(C)C
342087796	ZINC000600314579	ref	4.65	-11.74	0	268.294	1.661	0	5	2	O=C(c1csc([N+](=O)[O-])c1)N1CC2(CCCO2)C1
342087797	ZINC000046784691	ref	8.0	-17.63	0	295.346	1.807	1	5	5	Cc1ccn(-c2ccc(C(=O)NCCn3ccnc3)cc2)n1
342087798	ZINC000046784691	low	8.51	-44.21	1	295.346	1.807	1	4	5	Cc1ccn(-c2ccc(C(=O)NCCn3cc[nH+]c3)cc2)n1
342087799	ZINC000600314529	ref	6.44	-12.58	0	297.33	1.769	1	5	5	CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)Nc1cnn(CCF)c1
365631618	ZINC000172882622	ref	2.44	-9.25	0	280.715	1.655	2	4	5	C[C@H](CNC(=O)c1cn[nH]n1)Oc1ccccc1Cl
365631629	ZINC000172882622	mid	2.52	-10.71	0	280.715	1.655	2	4	5	C[C@H](CNC(=O)c1cnn[nH]1)Oc1ccccc1Cl
365631637	ZINC000172882622	high	2.26	-40.2	-1	280.715	1.655	1	4	5	C[C@H](CNC(=O)c1c[n-]nn1)Oc1ccccc1Cl
343994895	ZINC000139421709	ref	4.36	-5.71	0	190.25	1.817	2	4	4	CCNc1ccc(C#N)c(NCC)n1
136229085	ZINC000232465540	low	6.32	-112.5	2	241.338	2.076	2	1	4	c1cnc2c(C[NH2+]C[C@H]3CCC[NH2+]3)cccc2c1
342087800	ZINC000600314581	ref	6.1	-19.65	0	276.292	1.908	0	4	2	Cc1ccc(C(=O)N2CC3(CCCO3)C2)cc1[N+](=O)[O-]
342087801	ZINC000600314327	ref	7.15	-26.01	0	276.292	1.908	0	4	2	Cc1cccc(C(=O)N2CC3(CCCO3)C2)c1[N+](=O)[O-]
282121903	ZINC000423042710	ref	5.96	-109.48	2	256.39	1.553	2	2	7	CCC(CC)(C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)C(=O)OC
342087802	ZINC000600314295	ref	4.06	-31.28	0	293.388	1.57	0	3	3	C[S@@](=O)Cc1cccc(C(=O)N2CC3(CCCO3)C2)c1
365631646	ZINC000172882622	high	2.33	-40.37	-1	280.715	1.655	1	4	5	C[C@H](CNC(=O)c1cnn[n-]1)Oc1ccccc1Cl
342087803	ZINC000600314280	ref	5.55	-13.54	0	280.255	1.739	0	4	2	O=C(c1cc(F)cc([N+](=O)[O-])c1)N1CC2(CCCO2)C1
365631652	ZINC000172882622	high	2.42	-40.53	-1	280.715	1.655	1	4	5	C[C@H](CNC(=O)c1cn[n-]n1)Oc1ccccc1Cl
168364649	ZINC000368500258	ref	7.31	-55.78	1	328.441	3.413	3	3	3	Cc1ccc2c(C3CC[NH+](Cc4n[nH]c(=O)s4)CC3)c[nH]c2c1
342087804	ZINC000625366695	ref	3.36	-9.38	0	259.371	1.299	1	3	8	O=S(=O)(CCOCC1CC1)NCC1CC=CC1
342087805	ZINC000600314359	ref	6.0	-19.74	0	256.305	1.758	0	3	2	N#CCc1ccc(C(=O)N2CC3(CCCO3)C2)cc1
214724937	ZINC000338693988	ref	7.82	-11.95	0	290.407	3.127	1	3	5	Cc1cc(C(=O)N[C@@H](C)C[C@@H]2CCCO2)c(C)n1C1CC1
178305768	ZINC000019485242	low	6.89	-89.14	2	230.315	2.369	2	1	4	Cc1cc2[nH+]cn(CCCC(N)=[NH2+])c2cc1C
259309345	ZINC000323009158	ref	4.61	-28.69	1	208.305	2.617	1	2	5	CC[C@](C)(CNc1cc[nH+]cc1C)OC
136229086	ZINC000184908514	ref	6.78	-10.5	0	221.3	2.84	0	2	5	C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccco1
342087806	ZINC000600314311	ref	5.49	-12.71	0	282.365	1.933	0	5	4	CCSCc1cc(C(=O)N2CC3(CCCO3)C2)no1
342087807	ZINC000600314016	ref	6.18	-17.18	0	293.363	1.501	0	4	2	COC(=O)C12CCC(C(=O)N3CC4(CCCO4)C3)(CC1)C2
342088647	ZINC000015686644	ref	9.51	-12.16	0	299.33	1.837	1	5	6	CCOC(=O)[C@@H](Cc1ccccc1)C(=O)Nc1ncccn1
342088648	ZINC000600314999	ref	5.35	-17.19	0	282.321	1.97	0	5	2	Cc1sc(C(=O)N2CC3(CCCO3)C2)cc1[N+](=O)[O-]
178299857	ZINC000237139852	ref	3.86	-50.39	1	373.478	1.315	3	3	6	CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1
365631619	ZINC000617411686	mid	6.33	-50.46	1	286.339	0.486	2	5	3	C[N@H+]1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1
349534335	ZINC000602430094	mid	7.74	-42.98	1	248.326	2.284	2	2	7	C=CC[NH+](CC=C)Cc1cc(C)c(C(=O)OC)[nH]1
365631626	ZINC000617411686	mid	3.97	-14.28	0	286.339	0.486	1	6	3	CN1CCC[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2)C1
342087808	ZINC000121120858	ref	7.29	-13.93	0	251.33	1.901	1	4	6	CCO[C@@H](CC)C(=O)Nc1cccc(N(C)C)n1
349534338	ZINC000602428896	ref	0.29	-41.97	1	238.291	0.568	3	3	6	C[N@H+](CCNC(=O)NCc1cocn1)C1CC1
398248139	ZINC000625698645	ref	8.53	-7.93	0	243.35	3.179	1	1	5	C=CC[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1
365631635	ZINC000617413863	ref	4.69	-46.64	1	293.342	0.766	3	2	4	C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1
349534340	ZINC000602428896	mid	0.28	-41.68	1	238.291	0.568	3	3	6	C[N@@H+](CCNC(=O)NCc1cocn1)C1CC1
365631639	ZINC000617413863	mid	5.22	-47.55	1	293.342	0.766	3	2	4	C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1
365631647	ZINC000617413863	high	2.33	-10.67	0	293.342	0.766	2	3	4	CN1CCC[C@H](NC(=O)CNC(=O)c2cccc(F)c2)C1
365631655	ZINC000617414210	ref	6.48	-48.5	1	262.357	0.972	2	3	3	CN(C)c1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)ccn1
365631662	ZINC000617414210	mid	5.96	-46.0	1	262.357	0.972	2	3	3	CN(C)c1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)ccn1
190493243	ZINC000269423366	ref	8.22	-8.28	0	258.365	2.908	0	2	2	Cc1cncc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)c1
342087809	ZINC000621362010	ref	5.72	-33.2	1	282.428	1.584	2	2	3	CC1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1
342087810	ZINC000621362010	mid	5.5	-35.18	1	282.428	1.584	2	2	3	CC1CCN(C(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](CO)C2)CC1
342087811	ZINC000621362010	high	3.15	-8.59	0	282.428	1.584	1	3	3	CC1CCN(C(=O)[C@H](C)N2CC[C@@H](C)[C@@H](CO)C2)CC1
342087812	ZINC000609039178	ref	5.58	-45.7	1	279.344	1.038	2	5	5	C[C@H](CNc1cccnc1[N+](=O)[O-])N1CC[NH+](C)CC1
342087813	ZINC000609039178	mid	3.21	-15.41	0	279.344	1.038	1	6	5	C[C@H](CNc1cccnc1[N+](=O)[O-])N1CCN(C)CC1
342087814	ZINC000600314741	ref	6.99	-41.41	1	258.431	1.976	2	2	5	CS[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+](C)C1
342087815	ZINC000600314741	mid	6.99	-41.41	1	258.431	1.976	2	2	5	CS[C@@H](C)CC(=O)NC[C@H]1CCCC[N@@H+](C)C1
342087816	ZINC000622702197	ref	4.21	-15.6	0	282.384	1.367	2	3	6	CC[C@@H](OC1CCCCC1)C(=O)NC[C@H]1CNC(=O)C1
178299860	ZINC000237139852	mid	2.48	-14.48	0	373.478	1.315	3	4	6	CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1
295666196	ZINC000450180633	ref	7.95	-12.64	0	273.442	2.934	0	3	4	CS[C@H]1CCCCN(C(=O)C(C)(C)OC(C)C)C1
178299864	ZINC000237139094	ref	4.86	-58.1	1	356.264	1.653	2	2	8	CN(Cc1ccccc1Br)C(=O)CCNC(=O)CCC[NH3+]
178299865	ZINC000237153523	ref	9.01	-68.56	-1	355.394	1.675	0	6	4	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1
178299867	ZINC000237149084	ref	4.83	-47.78	1	367.497	1.84	2	4	7	CN(C)c1ccc(-c2cncc(C(=O)NCCCN3CC[NH2+]CC3)c2)cc1
343993663	ZINC000599269575	high	1.8	-11.31	0	278.352	1.783	1	5	6	CN(Cc1ccoc1)C[C@H](O)CC1(C#N)CCOCC1
178299869	ZINC000237152123	ref	8.0	-56.52	-1	355.188	1.345	0	4	4	CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1
178299871	ZINC000237141596	ref	4.85	-47.04	1	358.435	1.798	2	4	6	COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1
342594640	ZINC000590770019	low	8.9	-88.22	2	283.339	1.401	0	5	2	Cn1ncc2c(N3CCC[C@H](n4cc[nH+]c4)C3)[nH+]cnc21
178299874	ZINC000237141596	high	4.85	-24.1	0	358.435	1.798	1	4	6	COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@H](C[NH3+])C1CCCCC1
178299877	ZINC000237141789	ref	4.51	-64.5	-1	350.396	1.955	0	7	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2nc(-c3ccsc3)oc2C)C1
178299879	ZINC000237138962	ref	4.89	-50.03	1	352.866	1.422	2	3	7	C[NH2+]CCCC(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
342594641	ZINC000590770019	low	8.54	-38.8	1	283.339	1.401	0	6	2	Cn1ncc2c(N3CCC[C@H](n4cc[nH+]c4)C3)ncnc21
342594642	ZINC000590769697	ref	3.64	-21.09	0	294.746	1.416	2	6	3	CCc1nnc2n1C[C@H](Nc1cn[nH]c(=O)c1Cl)CC2
178299882	ZINC000237149126	ref	3.23	-53.13	1	368.503	1.697	3	4	8	CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H]1CC[NH2+]C1
178299883	ZINC000237138670	ref	10.14	-89.03	2	356.514	1.657	1	3	5	CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC12CC[NH2+]CC2
230236104	ZINC000336730407	ref	-4.09	-12.22	0	268.335	-1.45	2	5	7	CCOC[C@@H](O)CNS(=O)(=O)N1CCOCC1
230236112	ZINC000336811355	ref	-5.09	-15.07	0	293.345	-2.124	2	5	3	NC(=O)[C@]1(O)CCCN(S(=O)(=O)N2CCOCC2)C1
230236133	ZINC000336786995	ref	-1.57	-33.74	1	255.318	-1.033	4	3	2	NC(=O)[C@]1(O)CCC[N@@H+]([C@@H]2CCCCNC2=O)C1
230236137	ZINC000336786995	mid	-1.22	-37.75	1	255.318	-1.033	4	3	2	NC(=O)[C@]1(O)CCC[N@H+]([C@@H]2CCCCNC2=O)C1
230236141	ZINC000336786995	high	-1.8	-13.41	0	255.318	-1.033	3	4	2	NC(=O)[C@]1(O)CCCN([C@@H]2CCCCNC2=O)C1
187168719	ZINC000125083499	ref	7.26	-8.77	0	273.307	3.535	1	2	2	Cc1ccc(F)cc1C(=O)N[C@@H]1CCCc2occc21
349534342	ZINC000602428896	high	-2.16	-11.38	0	238.291	0.568	2	4	6	CN(CCNC(=O)NCc1cocn1)C1CC1
349534345	ZINC000602429057	ref	6.94	-27.62	1	243.347	1.829	1	3	5	CC[C@@](C)(C[N@@H+]1CCCC[C@@H]1C(=O)OC)OC
187168720	ZINC000125083408	ref	3.64	-16.53	0	293.363	1.744	2	4	7	C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(CCO)cc1
342594643	ZINC000616962144	ref	4.98	-16.82	0	286.375	1.965	2	2	3	O=C(N[C@H]1CCNC1=O)C1CCC(c2ccccc2)CC1
136229087	ZINC000184905647	ref	9.34	-9.83	0	247.313	2.978	0	1	5	CC#CCCCC(=O)N(C)Cc1ccccc1F
342594644	ZINC000590769857	ref	7.1	-10.2	0	261.329	1.481	2	5	2	C[C@@H]1CCC[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1
282121904	ZINC000423042710	high	4.94	-42.76	1	256.39	1.553	2	3	7	CCC(CC)(CN[C@H](C)[C@@H]1CC[NH2+]C1)C(=O)OC
349534347	ZINC000602429057	mid	6.84	-32.3	1	243.347	1.829	1	3	5	CC[C@@](C)(C[N@H+]1CCCC[C@@H]1C(=O)OC)OC
168364652	ZINC000075579864	ref	1.69	-59.14	1	190.246	1.208	2	1	2	C[C@@H]([NH3+])C[C@@H]1NC(=O)c2ccccc21
282121906	ZINC000354984041	ref	6.25	-37.44	1	257.374	2.123	1	3	7	CCC(CC)(C[NH2+][C@H](C)[C@@H]1CCCO1)C(=O)OC
282121908	ZINC000263084629	ref	8.84	-37.17	0	255.402	3.436	1	2	7	CCC(CC)(C[NH2+][C@H](C)C1CCCCC1)C(=O)[O-]
342594645	ZINC000590770293	ref	7.69	-11.4	0	299.334	1.819	2	6	4	C[C@@H]1C[C@@H]1c1ccc(CNc2nc3c(cnn3C)c(=O)[nH]2)o1
187168721	ZINC000125084169	ref	4.46	-63.02	1	291.775	2.003	1	2	4	O=S1(=O)CC[C@@H](C[NH2+]Cc2cccc(Cl)c2F)C1
187168722	ZINC000125084169	high	3.09	-14.4	0	291.775	2.003	1	3	4	O=S1(=O)CC[C@@H](CNCc2cccc(Cl)c2F)C1
342594646	ZINC000616962145	ref	4.97	-17.34	0	286.375	1.965	2	2	3	O=C(N[C@@H]1CCNC1=O)C1CCC(c2ccccc2)CC1
136229088	ZINC000184906828	ref	6.1	-6.61	0	232.327	2.861	1	2	5	C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccccn1
185087428	ZINC000096072072	ref	3.14	-8.92	0	265.357	1.427	1	4	5	COCC[C@H]1CO[C@]2(CCN(Cc3c[nH]cn3)C2)C1
185087429	ZINC000096072072	mid	5.78	-34.24	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1
342594647	ZINC000590770010	ref	8.54	-38.8	1	283.339	1.401	0	7	2	Cn1ncc2c(N3CCC[C@@H](n4ccnc4)C3)ncnc21
349534349	ZINC000602429057	mid	4.86	-6.57	0	243.347	1.829	0	4	5	CC[C@@](C)(CN1CCCC[C@@H]1C(=O)OC)OC
197591173	ZINC000290089481	ref	7.12	-11.21	0	290.294	2.466	0	5	4	COC(=O)[C@@H]1CC[C@H]1c1nc(Cc2ccccc2F)no1
259309346	ZINC000323017656	ref	1.47	-9.49	0	238.287	1.332	2	4	5	CC[C@](C)(CNC(=O)c1ncccc1O)OC
342594648	ZINC000590770010	low	8.86	-88.26	2	283.339	1.401	0	5	2	Cn1ncc2c(N3CCC[C@@H](n4cc[nH+]c4)C3)[nH+]cnc21
187168723	ZINC000125084763	ref	2.84	-11.71	0	288.351	1.265	2	5	4	Cc1nn(C)c2nc(C3CC3)cc(C(=O)N[C@@H](C)CO)c12
187168724	ZINC000125085397	ref	7.45	-11.27	0	285.372	2.638	0	4	4	Cc1cnc(CCN(C)C(=O)c2ccc(C#N)cc2)s1
187168725	ZINC000125084332	ref	6.78	-12.87	0	299.802	2.387	1	3	4	C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)[C@@H]1CCCO1
323004429	ZINC000098116962	ref	4.13	-13.76	0	205.261	1.409	1	2	4	C=CCNC(=O)N(C)Cc1ccccn1
187168726	ZINC000125083160	ref	4.02	-11.9	0	299.798	2.558	2	3	8	CC[C@H](O)CCNC(=O)CCc1ccc(OC)c(Cl)c1
342594649	ZINC000590770010	low	8.54	-38.8	1	283.339	1.401	0	6	2	Cn1ncc2c(N3CCC[C@@H](n4cc[nH+]c4)C3)ncnc21
187168727	ZINC000125085423	ref	3.76	-20.0	0	288.351	1.841	2	5	5	CCc1cccc(C)c1NC(=O)Cn1cc([C@@H](C)O)nn1
342594650	ZINC000590770289	ref	7.11	-8.97	0	298.394	1.502	0	6	2	CN1CCc2ncnc(N3CCC[C@H](n4ccnc4)C3)c2C1
342594651	ZINC000590770289	low	10.24	-86.96	2	298.394	1.502	1	4	2	C[N@@H+]1CCc2ncnc(N3CCC[C@H](n4cc[nH+]c4)C3)c2C1
214724959	ZINC000279233230	ref	5.57	-10.1	0	324.371	2.859	1	3	5	O=C(Nc1ccc(C2CCC2)cc1)[C@@H]1COCCN1CC(F)F
342594652	ZINC000590770289	low	10.35	-87.37	2	298.394	1.502	1	4	2	C[N@H+]1CCc2ncnc(N3CCC[C@H](n4cc[nH+]c4)C3)c2C1
342594653	ZINC000590770289	low	7.82	-34.82	1	298.394	1.502	0	5	2	CN1CCc2ncnc(N3CCC[C@H](n4cc[nH+]c4)C3)c2C1
342594654	ZINC000590769981	ref	7.13	-13.02	0	289.364	1.595	2	6	4	C[C@H](Cc1ccsc1)Nc1nc2c(cnn2C)c(=O)[nH]1
178299862	ZINC000048330413	ref	7.16	-8.72	0	228.32	3.908	1	2	1	Cc1cc2nc(-c3ccsc3)[nH]c2cc1C
342594655	ZINC000590770205	ref	6.8	-18.98	0	269.312	1.391	1	6	2	c1cn([C@H]2CCCN(c3ncnc4n[nH]cc34)C2)cn1
178299868	ZINC000002455595	ref	7.59	-52.87	-1	215.281	2.854	0	3	0	Cc1cc2n[n-]c(=S)n2c2ccccc12
197591184	ZINC000290090090	ref	0.91	-11.03	0	281.287	1.216	3	4	6	COCC[C@@H](CO)NC(=O)Nc1ccc(C#N)c(F)c1
187168728	ZINC000125083394	ref	2.97	-49.52	1	255.362	0.358	2	2	2	C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CC[NH2+]C[C@H]1C
342594656	ZINC000590770205	low	7.32	-44.7	1	269.312	1.391	1	5	2	c1nc(N2CCC[C@H](n3cc[nH+]c3)C2)c2c[nH]nc2n1
342594657	ZINC000616962178	ref	3.16	-17.1	0	266.728	1.448	2	2	3	C[C@H](C(=O)N[C@H]1CCNC1=O)c1cccc(Cl)c1
187168729	ZINC000125083394	mid	1.63	-7.29	0	255.362	0.358	2	3	2	C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCNC[C@H]1C
365631628	ZINC000641598490	ref	4.0	-15.29	0	253.248	1.101	1	2	2	O=C(Cc1cccc(F)c1F)N1C[C@@H]2C[C@]2(O)C1
365631640	ZINC000641597708	ref	-0.35	-13.49	0	290.385	1.561	1	5	7	COC[C@H](C)S(=O)(=O)NCc1oc(C(C)C)nc1C
365631650	ZINC000641598594	ref	6.42	-8.69	0	296.172	1.668	1	5	5	Cc1cncnc1NCCCn1cc(Br)cn1
365631664	ZINC000641598528	ref	4.39	-17.82	0	270.336	1.64	1	4	3	Cc1nc(N2CC[C@H](CC(N)=O)C2)nc2ccccc12
187168730	ZINC000125080224	ref	4.13	-23.92	0	267.285	2.247	1	5	3	COc1cccc(C(=O)Nc2nnc(C)s2)c1F
342594658	ZINC000590769414	ref	7.25	-10.69	0	275.356	1.729	2	5	3	C[C@@H]1CCC[C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)C1
342594659	ZINC000590770122	ref	3.08	-10.71	0	299.758	1.264	1	5	4	CN(C)C(=O)c1cnc(NC[C@H]2COCCO2)c(Cl)c1
342594660	ZINC000590770232	ref	6.2	-14.34	0	273.296	1.047	2	6	4	Cc1ccc(CCNc2nc3c(cnn3C)c(=O)[nH]2)o1
365631673	ZINC000641597694	ref	0.19	-13.43	0	295.364	1.98	1	5	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1cccnc1
365631683	ZINC000641597694	high	-0.19	-44.07	-1	295.364	1.98	0	5	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cccnc1
365631692	ZINC000641598753	ref	4.27	-9.17	0	270.336	1.359	2	5	6	OC[C@H](CNc1cc(C2CC2)ncn1)c1cccnc1
365631704	ZINC000641597380	ref	6.46	-22.43	0	299.374	1.659	0	4	2	O=C1CCc2ccc(N3CC[C@@H](C(=O)N4CCCC4)C3)nc21
365631716	ZINC000641597569	ref	5.21	-17.15	0	276.365	1.707	2	5	3	O=c1[nH]cnc2ccc(NC[C@H]3CCCSC3)nc12
365631726	ZINC000641598751	ref	4.86	-8.75	0	270.336	1.359	2	5	6	OC[C@@H](CNc1cc(C2CC2)ncn1)c1cccnc1
365631737	ZINC000641598473	ref	3.32	-11.36	0	291.347	1.195	1	4	6	COc1ccc(COCCC(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
365631761	ZINC000641598440	ref	2.94	-11.23	0	261.325	1.109	2	4	3	CC(C)Nc1ncccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365631767	ZINC000641598101	ref	0.61	-12.26	0	287.385	1.535	1	4	6	Cc1nc(C(C)C)oc1CNS(=O)(=O)N(C)C1CC1
230724449	ZINC000414278064	ref	6.64	-18.9	0	311.447	3.125	1	3	5	COc1ccc(C)cc1NC(=O)[C@@H](C)[S@](=O)CC(C)(C)C
197591185	ZINC000162778810	ref	5.82	-5.18	0	317.158	2.395	1	2	3	CCN(CC)C(=O)C(=O)Nc1cc(F)ccc1Br
365631782	ZINC000641597707	ref	-0.38	-13.66	0	290.385	1.561	1	5	7	COC[C@@H](C)S(=O)(=O)NCc1oc(C(C)C)nc1C
342594661	ZINC000616962205	ref	3.03	-20.45	0	276.336	1.096	2	3	6	C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CCNC1=O
282121905	ZINC000245462274	ref	6.58	-45.25	1	305.426	0.799	1	4	4	Cn1ccc(N2CCC[C@H](N3CC[C@@H](C[NH+](C)C)C3)C2=O)n1
282121910	ZINC000245462274	low	9.07	-104.58	2	305.426	0.799	2	3	4	Cn1ccc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)n1
365631634	ZINC000336549963	ref	4.59	-12.98	0	274.324	2.222	2	3	3	CN(Cc1cc[nH]n1)C(=O)N[C@@H]1CCCc2occc21
197591186	ZINC000290088263	ref	8.04	-9.35	0	290.407	1.612	0	2	6	C#CCN(C)C(=O)C[C@H](CC(C)(C)C)C(=O)N(C)CC#C
282121912	ZINC000245462274	low	9.15	-100.51	2	305.426	0.799	2	3	4	Cn1ccc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)n1
282121914	ZINC000358494610	ref	6.83	-48.66	1	329.51	1.627	1	2	4	C[NH+](C)C[C@@H]1CCN(S(=O)(=O)N2CC[C@H]3CCCC[C@H]3C2)C1
342594662	ZINC000616962281	ref	3.58	-18.16	0	276.361	1.271	2	3	2	O=C(N[C@@H]1CCNC1=O)[C@H]1CCSc2ccccc21
342594663	ZINC000590769801	ref	6.51	-14.4	0	290.352	1.47	1	7	3	Cc1ncc(CN(C)c2nc3c(cnn3C)c(=O)[nH]2)s1
282121918	ZINC000155044049	ref	4.38	-45.23	1	326.462	1.352	1	4	7	C[NH+](C)C[C@@H]1CCN(CCOc2cccc(S(C)(=O)=O)c2)C1
365631644	ZINC000336549494	ref	8.09	-12.67	0	288.376	2.181	0	5	2	Cc1ccsc1C(=O)N1CCn2c(nnc2C2CC2)C1
365631654	ZINC000336549617	ref	4.95	-11.28	0	293.338	2.42	1	3	2	O=C(c1cc(F)ccc1O)N1CC[C@@H](C2CCOCC2)C1
365631661	ZINC000336549617	mid	5.84	-50.49	-1	293.338	2.42	0	3	2	O=C(c1cc(F)ccc1[O-])N1CC[C@@H](C2CCOCC2)C1
365631669	ZINC000336549803	ref	6.56	-7.79	0	285.438	2.487	0	5	2	CC(C)c1nnc(C(=O)N2CCSC[C@@H](C)C2)s1
365631677	ZINC000336549783	ref	5.78	-10.87	0	271.311	2.426	1	3	3	Cc1nn(C)cc1C(=O)NC1(C(F)F)CCCCC1
187168731	ZINC000125080224	high	3.18	-54.25	-1	267.285	2.247	0	5	3	COc1cccc(C(=O)[N-]c2nnc(C)s2)c1F
365631686	ZINC000336549412	ref	4.84	-6.52	0	295.354	2.133	1	3	3	CC(C)[C@](C)(O)C(=O)N1CCO[C@@H](c2cccc(F)c2)C1
342594664	ZINC000590769401	ref	7.66	-13.49	0	273.296	1.607	1	6	3	Cc1occc1CN(C)c1nc2c(cnn2C)c(=O)[nH]1
365631697	ZINC000336549425	ref	4.89	-11.99	0	275.308	2.051	2	4	2	C[C@@H]1CC[C@H]1NC(=O)Nc1cccc2c1oc(=O)n2C
342594665	ZINC000590769852	ref	6.81	-10.4	0	261.329	1.481	2	5	2	C[C@@H]1CCC[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1
342594666	ZINC000616962113	ref	2.61	-15.89	0	297.152	1.376	2	2	2	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1Br
343993665	ZINC000599270425	ref	5.86	-41.65	1	273.373	1.192	2	4	9	CCOC(=O)C[C@H](O)C[N@H+](CCOC)C1CCCC1
365631703	ZINC000336549725	ref	6.08	-44.28	1	288.391	2.021	2	2	2	C[N@@H+]1CCCC12CCN(C(=O)Cc1cccc(O)c1)CC2
230236115	ZINC000355013204	ref	0.49	-10.34	0	285.344	-0.6	2	4	3	CN(C(=O)NCC(=O)N1CCOCC1)[C@H]1CCC[C@H]1O
230236127	ZINC000354930480	ref	4.04	-17.6	0	282.344	-0.094	1	4	8	COCCN(CC(=O)N(C)C)C(=O)CCc1ncc[nH]1
230236136	ZINC000354930480	low	4.5	-38.01	1	282.344	-0.094	1	3	8	COCCN(CC(=O)N(C)C)C(=O)CCc1[nH]cc[nH+]1
282121909	ZINC000494748154	ref	9.14	-34.32	1	307.434	3.332	1	3	9	CCC(CC)(C[NH2+][C@H](C)[C@H](OC)c1ccccc1)C(=O)OC
398248140	ZINC000625698695	ref	2.68	-16.2	0	207.233	0.877	2	3	4	C=CC[C@H](C)NC(=O)c1cc(=O)[nH]cn1
343993667	ZINC000079916388	ref	7.7	-14.31	0	292.427	2.251	0	5	6	C[C@@H]1CCCC[C@H]1OCCN(C)Cc1nnc2n1CCC2
342087817	ZINC000609039274	ref	8.08	-15.09	0	261.285	1.04	1	7	3	COC(=O)c1nc2nc(C)cc(N[C@H]3C[C@H]3C)n2n1
342087818	ZINC000609039241	ref	2.48	-14.76	0	271.298	1.063	2	5	4	C[C@@H]1C[C@H]1Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O
342087819	ZINC000609039273	ref	8.08	-15.09	0	261.285	1.04	1	7	3	COC(=O)c1nc2nc(C)cc(N[C@@H]3C[C@@H]3C)n2n1
398248141	ZINC000625698695	high	1.53	-42.0	-1	207.233	0.877	1	3	4	C=CC[C@H](C)NC(=O)c1cc(=O)[n-]cn1
342087820	ZINC000609040806	ref	2.03	-9.94	0	273.379	1.358	1	4	5	CSCCNS(=O)(=O)c1ccc2c(c1)COC2
214182953	ZINC000053442800	ref	8.57	-12.57	0	339.395	3.192	0	6	6	COC(=O)c1cc(CN(C)Cc2ccc(-n3cccn3)cc2)oc1C
214182958	ZINC000053442800	mid	10.83	-54.65	1	339.395	3.192	1	5	6	COC(=O)c1cc(C[N@H+](C)Cc2ccc(-n3cccn3)cc2)oc1C
214182961	ZINC000053442800	mid	10.93	-55.04	1	339.395	3.192	1	5	6	COC(=O)c1cc(C[N@@H+](C)Cc2ccc(-n3cccn3)cc2)oc1C
214182964	ZINC000053419911	ref	5.85	-34.85	1	337.46	3.017	2	4	7	COc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)COC(C)(C)C)c(OC)c1
214182967	ZINC000053419911	mid	5.37	-32.44	1	337.46	3.017	2	4	7	COc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)COC(C)(C)C)c(OC)c1
214182971	ZINC000053419911	high	4.28	-6.29	0	337.46	3.017	1	5	7	COc1ccc([C@H]2CCCN2C[C@@H](O)COC(C)(C)C)c(OC)c1
214182973	ZINC000053441003	ref	6.96	-41.38	1	333.339	3.968	1	2	7	CN(CC[NH2+]CCC(C)(C)C)Cc1csc(Br)c1
214182981	ZINC000053436466	ref	3.37	-17.99	0	326.418	1.236	1	4	6	CCN(C[C@@H]1CCCO1)C(=O)c1cccc(S(=O)(=O)NC)c1
214182989	ZINC000053437342	ref	6.89	-23.51	0	346.427	2.445	1	4	6	CCN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
214182993	ZINC000053413737	ref	0.57	-32.31	0	330.373	1.381	3	6	5	Cc1nc(-c2c[nH]c(C(=O)Nc3cnn(CC(N)=O)c3)c2)cs1
342087821	ZINC000609039118	ref	6.2	-18.75	0	281.319	1.732	1	5	4	Cc1ccnc(NC(=O)CN(C)c2ncccc2C#N)c1
230724427	ZINC000450368597	ref	1.09	-8.97	0	322.438	1.923	0	8	5	CCc1noc([C@H](C)N2CCN([C@H](C)c3csnn3)CC2)n1
342087822	ZINC000600314739	ref	7.09	-40.28	1	258.431	1.976	2	2	5	CS[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+](C)C1
214182954	ZINC000337619965	ref	3.72	-11.47	0	256.327	0.721	1	4	6	CCN(C)C(=O)CNC(=O)COc1ccsc1
343993670	ZINC000599270425	mid	6.11	-39.79	1	273.373	1.192	2	4	9	CCOC(=O)C[C@H](O)C[N@@H+](CCOC)C1CCCC1
214182962	ZINC000337616232	ref	0.23	-14.71	0	284.275	2.187	1	6	3	COc1ccc(C(=O)Nc2cnc3onc(C)c3c2)cn1
365631657	ZINC000274351161	mid	5.88	-47.92	1	275.356	1.425	2	3	1	C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cncnc3)CC[C@H]21
365631666	ZINC000274351070	ref	6.39	-42.8	1	295.387	1.299	2	4	9	CC[NH+](CC)CCN(CCOC)C(=O)Nc1cncnc1
214182966	ZINC000337618083	ref	7.1	-9.01	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@@H](C)c1nnc([C@@H](C)CC)[nH]1
214182969	ZINC000337618083	mid	6.59	-8.75	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@@H](C)c1n[nH]c([C@@H](C)CC)n1
214182974	ZINC000337619518	ref	1.13	-20.08	0	292.401	0.246	2	4	7	CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1CNS(C)(=O)=O
214182977	ZINC000337619854	ref	6.98	-8.11	0	280.437	3.415	2	2	5	CS[C@H](C)CNC(=O)N[C@@H](C)c1ccc(C)cc1C
214182979	ZINC000337615430	ref	7.51	-9.58	0	295.386	3.269	2	2	3	C[C@]1(NC(=O)c2cc(C3CC3)n[nH]2)CCCc2ccccc21
214182984	ZINC000337620091	ref	9.49	-14.65	0	276.343	2.274	1	4	3	c1ccc2c(c1)CC(CNc1ncnc3ncccc13)C2
230724437	ZINC000450368183	ref	6.99	-42.45	1	300.468	1.291	2	3	5	CSCC[C@H](O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1
214182986	ZINC000337618064	ref	5.06	-10.56	0	260.359	0.942	1	4	4	COC(=O)[C@@H]1CCN(C(=O)NC[C@H](C)SC)C1
214182991	ZINC000337617741	ref	6.84	-7.39	0	253.386	3.077	1	2	5	CC(=O)CCC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1
214182994	ZINC000337616998	ref	4.72	-8.48	0	271.401	2.06	1	3	8	C[C@@H](CC1CCCCC1)C(=O)N(C)CCOCCO
214182999	ZINC000337616858	ref	8.44	-49.44	1	289.379	3.474	2	3	5	C[NH+](C)[C@@H](CNc1ccc(C#N)cc1F)c1ccsc1
178299875	ZINC000082795279	ref	6.09	-8.98	0	285.189	2.488	1	4	5	CCN[C@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
214183001	ZINC000337616858	high	6.32	-5.9	0	289.379	3.474	1	4	5	CN(C)[C@@H](CNc1ccc(C#N)cc1F)c1ccsc1
214183005	ZINC000337619934	ref	8.46	-16.29	0	279.343	3.307	2	2	4	CCc1cccnc1NC(=O)Cc1c[nH]c2ccccc12
365631681	ZINC000274350105	ref	3.73	-14.56	0	278.278	1.976	2	3	8	O=C(CCCCc1c[nH]nn1)NCCCC(F)(F)F
214182955	ZINC000293542044	ref	1.72	-51.25	1	366.418	0.428	4	5	9	CNC(=O)Oc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCCOC)c1
187168732	ZINC000125081005	ref	-2.8	-15.24	0	251.286	-0.033	4	3	6	NC(=O)c1ccc(CNC(=O)NCCCO)cc1
342594667	ZINC000590769354	ref	7.12	-10.55	0	275.356	1.729	2	5	3	C[C@H]1CCCC[C@H]1CNc1nc2c(cnn2C)c(=O)[nH]1
342594668	ZINC000616962230	ref	2.59	-15.83	0	252.701	1.267	2	2	2	Cc1cc(Cl)cc(C(=O)N[C@H]2CCNC2=O)c1
342594669	ZINC000616962158	ref	0.6	-16.86	0	285.303	1.268	2	4	3	Cc1nc(-c2ccccc2)oc1C(=O)N[C@@H]1CCNC1=O
342594670	ZINC000616962231	ref	2.59	-15.84	0	252.701	1.267	2	2	2	Cc1cc(Cl)cc(C(=O)N[C@@H]2CCNC2=O)c1
342594671	ZINC000616962138	ref	3.29	-16.5	0	292.31	1.039	2	3	5	C[C@H](CC(=O)N[C@@H]1CCNC1=O)C(=O)c1cccc(F)c1
342594672	ZINC000590769356	ref	7.34	-10.49	0	275.356	1.729	2	5	3	C[C@@H]1CCCC[C@H]1CNc1nc2c(cnn2C)c(=O)[nH]1
349534348	ZINC000594967311	ref	7.67	-43.88	1	294.351	2.892	1	4	7	CC[C@H](C)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2
187168733	ZINC000125086739	ref	4.32	-12.06	0	286.375	2.403	3	2	3	C[C@@H](CO)NC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3
187168734	ZINC000125082821	ref	4.74	-11.4	0	295.404	2.434	1	4	4	CC[C@@H](SC)C(=O)N1CCO[C@H](c2cccc(O)c2)C1
187168735	ZINC000125084245	ref	0.97	-20.28	0	267.31	1.047	2	5	4	CCc1nnc(CS(=O)(=O)c2ccc(O)cc2)[nH]1
168364653	ZINC000368500258	mid	4.26	-10.33	0	328.441	3.413	1	4	3	Cc1ccc2c(C3CCN(CC4N=NC(=O)S4)CC3)c[nH]c2c1
214182960	ZINC000293542044	mid	1.73	-51.19	1	366.418	0.428	4	5	9	CNC(=O)Oc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCCOC)c1
214182963	ZINC000293542044	high	-0.58	-15.06	0	366.418	0.428	3	6	9	CNC(=O)Oc1cccc(NC(=O)C(=O)NCCN(C)CCCOC)c1
214182968	ZINC000293547370	ref	2.37	-24.24	0	374.485	0.827	3	4	7	CNC(=O)[C@@H](NC(=O)CN1CCCNC(=O)[C@@H]1CC(C)C)c1ccccc1
214182972	ZINC000293547370	low	4.32	-46.11	1	374.485	0.827	4	3	7	CNC(=O)[C@@H](NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1CC(C)C)c1ccccc1
214182976	ZINC000293547370	low	4.37	-43.49	1	374.485	0.827	4	3	7	CNC(=O)[C@@H](NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1CC(C)C)c1ccccc1
214182980	ZINC000293540915	ref	0.84	-20.16	0	368.393	0.788	3	5	6	O=C1CNC(=O)c2ccc(C(=O)N(CCCO)Cc3ccccn3)cc2N1
214182987	ZINC000293541588	ref	4.54	-14.54	0	360.37	0.423	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1nccc1C)OC
342087823	ZINC000600314739	mid	7.09	-40.28	1	258.431	1.976	2	2	5	CS[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342087824	ZINC000127108125	ref	7.54	-42.05	1	265.401	1.914	2	1	2	C[N@@H+]1CCC[C@H](CNC(=O)N2CCC3(CCC3)C2)C1
342087825	ZINC000127108125	mid	7.1	-42.69	1	265.401	1.914	2	1	2	C[N@H+]1CCC[C@H](CNC(=O)N2CCC3(CCC3)C2)C1
214182990	ZINC000293549706	ref	-0.43	-13.82	0	362.386	0.534	3	7	6	COc1cc(NC(=O)C(=O)NC[C@@H](O)c2cnn(C)c2)cc(OC)c1C
178299872	ZINC000002455595	mid	7.75	-12.84	0	215.281	2.854	1	3	0	Cc1cc2n[nH]c(=S)n2c2ccccc12
178299876	ZINC000359809661	ref	6.61	-8.41	0	237.306	3.483	2	2	3	Cc1cc2n[nH]cc2cc1NCc1ccccc1
136229089	ZINC000184919741	ref	5.66	-7.68	0	230.311	2.308	1	2	4	C#CCC(C)(C)C(=O)N[C@H](C)c1cccnc1
214182995	ZINC000293555162	ref	7.16	-24.87	0	359.386	0.806	1	7	6	C[C@@H](NC(=O)CCn1ncn(C)c1=O)c1ccc(N2CCOC2=O)cc1
214182998	ZINC000293546016	ref	2.5	-25.84	0	372.425	0.428	3	5	4	O=C([C@@H]1CCN(C(=O)[C@H](O)[C@@H](O)c2nc3ccccc3[nH]2)C1)N1CCCC1
214183004	ZINC000293544894	ref	1.96	-18.85	0	367.471	0.664	1	5	6	NC(=O)c1ccc(N2CCN(S(=O)(=O)CC[C@H]3CCOC3)CC2)cc1
214183015	ZINC000293550915	ref	10.08	-51.08	1	363.51	0.905	1	6	8	CC1=C(C(=O)N(C)CCC[N@H+](C)CCN(C)C)[C@@H](C)n2ncnc2N1C
214183019	ZINC000293550915	mid	10.09	-51.38	1	363.51	0.905	1	6	8	CC1=C(C(=O)N(C)CCC[N@@H+](C)CCN(C)C)[C@@H](C)n2ncnc2N1C
214183023	ZINC000293550915	mid	10.24	-46.26	1	363.51	0.905	1	6	8	CC1=C(C(=O)N(C)CCCN(C)CC[NH+](C)C)[C@@H](C)n2ncnc2N1C
214183028	ZINC000293554719	ref	7.84	-19.43	0	373.409	0.79	1	7	9	COC(=O)[C@@H](CNC(=O)CCn1cnccc1=O)Cc1ccccc1OC
214183033	ZINC000293541416	ref	2.22	-20.11	0	355.372	0.534	2	6	3	Cc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)cc1[N+](=O)[O-]
214183042	ZINC000293550371	ref	1.8	-32.58	0	362.386	0.422	4	5	5	Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)[C@@H]1C[C@H](C)CC(=O)N1
214183048	ZINC000293542173	ref	2.38	-10.12	0	360.37	0.169	3	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@](C)(O)c1ccccc1
214183052	ZINC000293547089	ref	7.42	-25.74	0	372.473	0.615	0	6	4	Cc1c(CC(=O)N2CCN(C(=O)Cc3cnn(C)c3C)[C@H](C)C2)cnn1C
214183057	ZINC000293542197	ref	4.26	-45.36	1	353.85	0.983	3	3	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CNC(=O)c1cccc(Cl)c1
214183065	ZINC000293542197	mid	4.49	-44.7	1	353.85	0.983	3	3	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CNC(=O)c1cccc(Cl)c1
178299878	ZINC000082795279	low	5.8	-50.57	1	285.189	2.488	1	3	5	CC[NH2+][C@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
349534350	ZINC000594967311	high	6.49	-7.81	0	294.351	2.892	1	5	7	CC[C@H](C)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2
342087826	ZINC000127108125	high	5.15	-8.13	0	265.401	1.914	1	2	2	CN1CCC[C@H](CNC(=O)N2CCC3(CCC3)C2)C1
365631660	ZINC000172885706	ref	4.86	-11.34	0	275.352	1.49	0	5	4	COC[C@H]1CN(Cc2cn3c(C)cccc3n2)CCO1
365631671	ZINC000172885706	low	5.01	-29.68	1	275.352	1.49	0	4	4	COC[C@H]1CN(Cc2cn3c(C)cccc3[nH+]2)CCO1
365631679	ZINC000172885855	ref	3.73	-7.29	0	278.352	1.623	2	5	5	CCOC(=O)CNc1ccccc1N1CCC(O)CC1
365631690	ZINC000172885831	ref	2.72	-18.97	0	296.392	1.097	2	4	8	Cc1ccccc1O[C@H](C)CNC(=O)CSCC(N)=O
342087827	ZINC000622702190	ref	4.16	-16.41	0	280.393	1.632	2	3	6	Cc1ccc(CCCC(=O)NC[C@@H]2CNC(=O)C2)s1
349534352	ZINC000594966817	ref	5.93	-10.09	0	254.337	2.615	2	3	4	Cc1c[nH]c(CNC(C)(C)c2cccc(C#N)c2)n1
342087828	ZINC000609040332	ref	8.82	-45.86	1	299.382	1.635	2	6	7	C[C@H](CNc1ncnc2c1cnn2CCC#N)[N@H+](C)C1CC1
365631699	ZINC000172886739	ref	1.97	-7.4	0	256.733	1.582	0	4	4	COC[C@@H]1CN(Cc2ccc(Cl)nc2)CCO1
365631713	ZINC000172887070	ref	1.87	-6.69	0	256.371	1.553	0	5	5	CCc1nc(CN2CCO[C@H](COC)C2)cs1
365631725	ZINC000172886689	ref	4.01	-9.9	0	259.309	1.915	2	3	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1cn[nH]c1
365631736	ZINC000172886361	ref	7.65	-11.12	0	288.351	1.56	1	5	7	Cc1ccccc1O[C@@H](C)CNC(=O)CCn1cncn1
343993671	ZINC000079916388	low	10.04	-41.87	1	292.427	2.251	1	4	6	C[C@@H]1CCCC[C@H]1OCC[N@H+](C)Cc1nnc2n1CCC2
342087829	ZINC000609040332	mid	8.75	-47.04	1	299.382	1.635	2	6	7	C[C@H](CNc1ncnc2c1cnn2CCC#N)[N@@H+](C)C1CC1
342087830	ZINC000622702278	ref	3.29	-11.98	0	281.356	1.105	1	5	8	CCn1ccc(CNC(=O)CCOC[C@H]2CCCO2)n1
349534354	ZINC000594966817	mid	7.01	-48.77	1	254.337	2.615	2	2	4	Cc1c[nH]c(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1
343993673	ZINC000079916388	low	10.08	-45.04	1	292.427	2.251	1	4	6	C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1nnc2n1CCC2
342087831	ZINC000622702226	ref	2.11	-12.49	0	261.325	1.071	2	3	4	CC(C)c1cccc(C(=O)NC[C@@H]2CNC(=O)C2)n1
343993676	ZINC000079916110	ref	4.94	-15.47	0	289.383	2.142	0	6	4	CN(Cc1ncc(C(C)(C)C)o1)Cc1nnc2n1CCC2
168364655	ZINC000049538955	ref	-0.52	-38.25	1	171.269	0.58	2	3	4	C[C@@H]([NH3+])CNCc1nccs1
398248142	ZINC000395035480	ref	1.1	-15.8	0	225.292	0.618	3	3	5	C[C@H](CC(C)(C)O)NC(=O)Cc1cc[nH]n1
342087832	ZINC000622702198	ref	4.21	-15.59	0	282.384	1.367	2	3	6	CC[C@@H](OC1CCCCC1)C(=O)NC[C@@H]1CNC(=O)C1
214183002	ZINC000278483120	ref	5.19	-9.27	0	318.215	1.956	0	5	6	CCOC(=O)CN(Cc1c(Br)cnn1C)C(C)C
197591198	ZINC000162781753	ref	6.22	-18.85	0	315.417	2.743	2	3	6	O=C(CCNC(=O)[C@H]1C[C@@H]1C1CCCCC1)Nc1ccncc1
197591203	ZINC000162778388	ref	4.82	-12.48	0	301.39	2.092	3	2	6	NC(=O)[C@H](NC(=O)NCC1(C2CC2)CCC1)c1ccccc1
197591205	ZINC000162775122	ref	5.79	-3.03	0	305.603	3.477	1	3	3	C[C@@H](Nc1ncc(Cl)cc1Br)[C@@H]1CCCO1
214183006	ZINC000278484126	ref	4.72	-54.99	1	318.373	1.228	2	4	5	NC(=O)C1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1
214183008	ZINC000278484126	high	2.35	-15.39	0	318.373	1.228	1	5	5	NC(=O)C1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1
178299880	ZINC000045796224	ref	4.38	-61.05	-1	218.212	1.238	1	4	1	Cc1cc2nc(C(=O)[O-])c(=O)[nH]c2cc1C
214183013	ZINC000278483891	ref	1.8	-11.73	0	324.425	1.297	3	5	7	CCn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@H](CO)C(C)C
214183018	ZINC000278483665	ref	5.15	-16.41	0	315.377	1.877	1	6	4	CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(-c2nnnn2C)c1
214183024	ZINC000278484750	ref	4.84	-47.3	1	304.419	2.153	2	4	3	C[NH+]1CCC(C)(CNC(=O)c2nc3cccnc3s2)CC1
214183029	ZINC000278484472	ref	4.92	-10.6	0	322.796	2.26	2	4	6	COC[C@H](NC(=O)NCc1nccn1C)c1ccc(Cl)cc1
214183032	ZINC000278484472	low	5.44	-35.38	1	322.796	2.26	2	3	6	COC[C@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(Cl)cc1
214183036	ZINC000278484229	ref	6.96	-12.5	0	315.377	2.254	1	6	4	Cc1noc(CCC(=O)Nc2ncc3c(n2)CCC(C)(C)C3)n1
214183041	ZINC000278483300	ref	4.25	-52.69	1	319.434	1.339	2	5	5	Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(C(N)=O)cs2)C1
214183044	ZINC000278483300	high	3.08	-13.24	0	319.434	1.339	2	6	5	Cn1nccc1N1CCC[C@@H](NCc2cc(C(N)=O)cs2)C1
214183049	ZINC000278483461	ref	8.47	-9.32	0	322.796	3.134	0	5	2	N#Cc1sc(N2CCN(c3ccc(F)cc3)CC2)nc1Cl
214183053	ZINC000278482864	ref	9.85	-11.84	0	318.417	2.476	0	4	5	CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)/C=C/c2ccn(C)c2)C1
299072151	ZINC000418342357	ref	8.05	-86.98	2	310.486	1.746	3	1	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCC[NH2+]C1
299072161	ZINC000418342357	high	5.66	-47.72	1	310.486	1.746	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@H]1CCC[NH2+]C1
282121911	ZINC000092222841	ref	7.96	-17.73	0	329.379	1.808	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3cc(F)ccc3C1)CC2
361823272	ZINC000612424070	mid	4.97	-43.44	1	315.417	2.047	4	2	5	CCC[C@H](O)CNC(=O)c1ccc2[nH]c3c(c2c1)C[N@@H+](C)CC3
197591206	ZINC000290090539	ref	7.27	-45.38	1	285.391	2.042	2	3	5	Cc1cnn([C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)c1
197591208	ZINC000290090539	mid	7.53	-45.67	1	285.391	2.042	2	3	5	Cc1cnn([C@H]2CC[N@@H+](C[C@@H](O)Cc3ccccc3)C2)c1
136229090	ZINC000184914820	ref	5.92	-7.72	0	245.322	2.361	1	2	5	C#CCC(C)(C)C(=O)NCc1cccc(OC)c1
361823279	ZINC000612423344	ref	6.36	-40.7	1	304.434	2.143	3	2	8	CCC[C@@H](O)CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1
361823289	ZINC000612425775	ref	3.35	-12.63	0	319.405	2.46	3	4	6	CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
361823693	ZINC000035784618	mid	7.5	-38.4	1	260.337	2.046	1	3	4	C[C@@H]1C[N@@H+](CCOc2ccccc2C#N)[C@H](C)CO1
168364656	ZINC000368500258	low	6.2	-49.39	1	328.441	3.413	2	3	3	Cc1ccc2c(C3CC[NH+](CC4N=NC(=O)S4)CC3)c[nH]c2c1
187168736	ZINC000125084245	mid	1.74	-52.53	-1	267.31	1.047	1	5	4	CCc1nnc(CS(=O)(=O)c2ccc([O-])cc2)[nH]1
342594673	ZINC000590770127	ref	5.41	-8.75	0	259.309	1.187	1	5	3	Cc1ccc2ncnc(NC[C@@H]3COCCO3)c2c1
342594674	ZINC000590769357	ref	4.2	-12.08	0	279.731	1.669	1	5	1	Cc1nc2n(c1C)CCN(c1cn[nH]c(=O)c1Cl)C2
342594675	ZINC000590769357	low	4.61	-39.57	1	279.731	1.669	1	4	1	Cc1[nH+]c2n(c1C)CCN(c1cn[nH]c(=O)c1Cl)C2
197591214	ZINC000290089696	ref	3.2	-7.77	0	290.319	1.931	0	6	5	COc1cccc(Cc2noc([C@@]3(OC)CCOC3)n2)c1
185087430	ZINC000096072072	mid	5.61	-34.41	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@]2(CC[N@@H+](Cc3c[nH]cn3)C2)C1
214183007	ZINC000053427828	ref	8.12	-16.36	0	341.411	1.938	0	5	6	CCN(C[C@H]1CCCO1)C(=O)Cn1nc(-c2ccccc2)ccc1=O
214183011	ZINC000053432472	ref	8.11	-13.61	0	329.4	2.522	0	5	6	CCN(C[C@H]1CCCO1)C(=O)c1nn(-c2ccccc2)cc1OC
214183014	ZINC000053439264	ref	8.42	-34.85	1	345.35	4.111	2	2	6	C[C@@H]1CCCC[C@@H]1[N@H+](C)CCNCc1cc(Br)cs1
214183017	ZINC000053439264	mid	8.42	-35.04	1	345.35	4.111	2	2	6	C[C@@H]1CCCC[C@@H]1[N@@H+](C)CCNCc1cc(Br)cs1
214183021	ZINC000053414099	ref	1.88	-22.51	0	344.762	1.664	3	5	5	NC(=O)Cn1cc(NC(=O)c2cc(-c3ccccc3Cl)[nH]n2)cn1
214183025	ZINC000053414099	mid	2.05	-25.35	0	344.762	1.664	3	5	5	NC(=O)Cn1cc(NC(=O)c2cc(-c3ccccc3Cl)n[nH]2)cn1
214183027	ZINC000053439889	ref	8.52	-15.82	0	343.427	3.091	1	5	7	COc1cc(CNC(=O)[C@@H](C)n2ccnc2)ccc1OC1CCCC1
365631665	ZINC000122653093	ref	3.18	-10.59	0	262.334	2.089	1	3	4	C=C(C)CNS(=O)(=O)c1cccc2ncccc12
178299884	ZINC000051847846	ref	5.27	-10.09	0	241.298	2.162	2	4	1	Cc1cc2nc(-c3cnn(C)c3N)[nH]c2cc1C
178299888	ZINC000361916245	ref	-0.83	-11.4	0	218.216	0.295	3	3	1	Cc1cc2n[nH]cc2cc1NC(=O)C(N)=O
214183009	ZINC000337620341	ref	7.13	-42.91	1	287.407	2.111	3	1	5	O=C(NCC[NH+]1CCC1)NC[C@H]1CCCc2ccccc21
214183012	ZINC000337620341	mid	3.94	-10.55	0	287.407	2.111	2	2	5	O=C(NCCN1CCC1)NC[C@H]1CCCc2ccccc21
259309347	ZINC000323017656	mid	2.47	-50.86	-1	238.287	1.332	1	4	5	CC[C@](C)(CNC(=O)c1ncccc1[O-])OC
398248143	ZINC000076846045	ref	4.51	-40.42	1	228.336	1.015	2	2	7	CCOCCC(=O)NCC[NH+]1CCCCC1
178299893	ZINC000361916245	mid	-0.92	-9.1	0	218.216	0.295	3	3	1	Cc1cc2[nH]ncc2cc1NC(=O)C(N)=O
178299896	ZINC000019733980	ref	6.16	-9.51	0	237.306	3.429	2	2	1	Cc1cc2nc(-c3cccc(N)c3)[nH]c2cc1C
214183016	ZINC000337618776	ref	4.54	-17.34	0	295.342	2.17	3	3	5	O=C(Cc1ccc(O)cc1)NCCc1c[nH]c2ncccc12
178299902	ZINC000361658742	ref	4.39	-9.93	0	245.326	2.71	2	3	4	Cc1cc2n[nH]cc2cc1NCC[C@@H]1CCOC1
178305769	ZINC000167479782	ref	4.1	-6.5	0	223.073	2.701	0	2	0	Cc1cc2nccnc2cc1Br
214183020	ZINC000337619158	ref	8.2	-42.07	1	287.407	2.328	3	1	5	O=C(NCC[NH+]1CCC1)N[C@H]1CCC[C@H]1c1ccccc1
214183022	ZINC000337619158	mid	5.02	-10.62	0	287.407	2.328	2	2	5	O=C(NCCN1CCC1)N[C@H]1CCC[C@H]1c1ccccc1
214183026	ZINC000337619263	ref	8.5	-14.43	0	276.286	3.103	1	2	4	CCc1cccnc1NC(=O)Cc1ccc(F)cc1F
214183030	ZINC000337618436	ref	0.68	-14.53	0	277.371	0.098	1	7	8	CN(CCOCCO)C(=O)CSc1nncs1
214183034	ZINC000337617749	ref	8.52	-8.83	0	297.402	3.023	1	3	6	CC[C@@H]1C[C@]1(NC(=O)CCn1cccn1)c1cccc(C)c1
214183037	ZINC000337617873	ref	9.04	-15.89	0	273.384	2.365	1	5	4	C[C@H]1CCC[C@@H](CCNc2ncnc3nn(C)cc23)C1
214183040	ZINC000337620023	ref	1.96	-9.83	0	259.346	0.659	1	4	7	CC[C@H]1C[C@@H](C(=O)N(C)CCOCCO)CCO1
214183043	ZINC000337615481	ref	1.5	-11.28	0	269.345	0.922	2	4	7	Cc1[nH]nc(C(C)C)c1C(=O)N(C)CCOCCO
214183047	ZINC000337615481	mid	1.49	-10.67	0	269.345	0.922	2	4	7	Cc1n[nH]c(C(C)C)c1C(=O)N(C)CCOCCO
214183051	ZINC000337616247	ref	6.39	-40.18	1	255.406	2.206	3	1	8	CC(C)CCC[C@@H](C)NC(=O)NCC[NH+]1CCC1
214183054	ZINC000337616247	mid	3.21	-8.98	0	255.406	2.206	2	2	8	CC(C)CCC[C@@H](C)NC(=O)NCCN1CCC1
230724455	ZINC000414277375	ref	8.38	-49.54	1	311.429	3.021	1	3	4	C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
342594676	ZINC000616962159	ref	0.6	-16.9	0	285.303	1.268	2	4	3	Cc1nc(-c2ccccc2)oc1C(=O)N[C@H]1CCNC1=O
342594677	ZINC000590769700	ref	3.67	-20.92	0	294.746	1.416	2	6	3	CCc1nnc2n1C[C@@H](Nc1cn[nH]c(=O)c1Cl)CC2
197591210	ZINC000162775194	ref	5.52	-9.94	0	320.433	3.403	2	3	5	CCOc1cccc([C@@H](C)NC(=O)N[C@H]2CCOC(C)(C)C2)c1
361823286	ZINC000035844246	low	7.24	-45.42	1	290.363	2.21	2	3	7	COC(C[N@@H+](C)CC(=O)c1c[nH]c2ccc(C)cc12)OC
342594678	ZINC000590769695	ref	8.83	-12.98	0	297.362	1.926	2	5	6	Cn1ncc2c(=O)[nH]c(NCCCCc3ccccc3)nc21
230724496	ZINC000414277719	ref	6.9	-18.3	0	311.447	3.207	1	3	6	CCOc1ccccc1NC(=O)[C@@H](C)[S@](=O)CC(C)(C)C
178305774	ZINC000049581964	ref	7.65	-51.03	1	231.343	2.782	1	2	5	Cc1cc2ncn(CCCCC[NH3+])c2cc1C
361823292	ZINC000035792858	ref	3.21	-8.78	0	264.369	2.246	2	2	7	CC(C)COc1ccc([C@H](C)[NH2+][C@H](C)C(N)=O)cc1
361823295	ZINC000035792858	high	3.21	-8.78	0	264.369	2.246	2	3	7	CC(C)COc1ccc([C@H](C)N[C@H](C)C(N)=O)cc1
361823297	ZINC000035899117	ref	4.29	-18.85	0	291.347	2.227	1	2	5	NC(=O)C[S@@](=O)Cc1ccccc1-c1ccc(F)cc1
361823299	ZINC000035841791	ref	6.1	-36.91	1	268.357	2.008	1	2	4	C[NH2+]CCN1C(=O)[C@H](C)S[C@H]1c1ccccc1F
361823303	ZINC000035841794	ref	6.78	-40.44	1	268.357	2.008	1	2	4	C[NH2+]CCN1C(=O)[C@H](C)S[C@@H]1c1ccccc1F
361823310	ZINC000035958242	ref	8.33	-15.38	0	296.305	2.336	1	4	4	O=C(NCc1ccccc1F)c1ncn(-c2ccccc2)n1
361823318	ZINC000035804064	ref	3.42	-8.84	0	263.684	2.471	1	5	3	Clc1cncc(NCc2ccc3c(c2)OCO3)n1
361823331	ZINC000035840949	ref	6.87	-36.45	1	294.439	2.437	2	3	11	C=CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1cccn1C
361823337	ZINC000035840949	mid	5.15	-4.98	0	294.439	2.437	2	3	11	C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1cccn1C
361823346	ZINC000035840949	high	5.15	-4.98	0	294.439	2.437	1	4	11	C=CCOC[C@H](O)CN(CCC(C)C)Cc1cccn1C
361823350	ZINC000035782198	ref	5.85	-59.1	-1	298.726	2.046	1	4	3	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Nc2ccccc2Cl)C1
361823359	ZINC000035856345	ref	4.9	-4.84	0	280.155	2.307	1	5	6	CCOC(Cc1c(Cl)nc(N)nc1Cl)OCC
361823370	ZINC000035828730	ref	6.13	-12.64	0	270.248	2.343	0	6	2	Cc1cc(-n2nc3ccccc3n2)c([O-])c([N+](=O)[O-])c1
361823379	ZINC000035828730	low	6.13	-12.64	0	270.248	2.343	1	6	2	Cc1cc(-n2nc3ccccc3n2)c(O)c([N+](=O)[O-])c1
282121913	ZINC000194175196	ref	8.15	-43.66	1	295.423	2.513	1	3	6	CCC(CC)(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)OC
398248144	ZINC000076846045	high	2.12	-6.89	0	228.336	1.015	1	3	7	CCOCCC(=O)NCCN1CCCCC1
398248145	ZINC000076845905	ref	4.32	-7.68	0	206.289	1.486	1	2	3	CNC(=O)CN(C)c1ccc(C)cc1C
398248146	ZINC000395029714	ref	0.77	-46.78	1	239.319	0.529	2	4	5	Cc1cc(C[NH2+][C@H]2CCCN(CCO)C2)on1
178299886	ZINC000237138670	mid	10.14	-89.03	2	356.514	1.657	2	2	5	CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)[C@@H]1CC12CC[NH2+]CC2
178299887	ZINC000237141846	ref	4.03	-58.61	1	351.472	1.406	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@]1(C)CCCC[NH2+]1)CC2
214183031	ZINC000053439889	low	9.34	-39.96	1	343.427	3.091	1	4	7	COc1cc(CNC(=O)[C@@H](C)n2cc[nH+]c2)ccc1OC1CCCC1
214183035	ZINC000053443980	ref	2.99	-15.43	0	330.425	1.968	2	3	6	CC(C)(C)[C@H](NC(=O)CCNS(C)(=O)=O)c1ccc(F)cc1
178299889	ZINC000237141846	high	3.6	-17.85	0	351.472	1.406	2	4	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@]1(C)CCCCN1)CC2
178299892	ZINC000237140454	ref	1.38	-47.9	1	357.657	1.609	2	3	6	C[NH2+]CCNS(=O)(=O)c1cc(Cl)c(OC)cc1Br
214183039	ZINC000053422184	ref	8.65	-15.43	0	334.807	2.831	0	5	4	Cc1cc([C@@H]2CCCN2C(=O)CN(C)c2ccc(Cl)cn2)no1
214183045	ZINC000053424413	ref	4.11	-9.13	0	333.841	1.74	0	5	4	C=C(Cl)CN1CCCN(S(=O)(=O)c2c(C)noc2C)CC1
214183046	ZINC000053437332	ref	6.91	-23.74	0	346.427	2.445	1	4	6	CCN(C[C@H]1CCCO1)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1
214183050	ZINC000053430073	ref	7.84	-44.96	1	349.452	2.967	2	5	8	COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)[C@H](C)c2cccs2)cc1
214183055	ZINC000053430073	mid	8.15	-42.54	1	349.452	2.967	2	5	8	COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)[C@H](C)c2cccs2)cc1
214183059	ZINC000053430073	high	5.89	-8.49	0	349.452	2.967	1	6	8	COC(=O)c1ccc(OC[C@@H](O)CN(C)[C@H](C)c2cccs2)cc1
214183066	ZINC000053441913	ref	6.49	-13.05	0	336.432	2.503	1	5	7	COC(=O)c1cc(CN(C)CC(=O)NCC2CCCCC2)oc1C
214183070	ZINC000053441913	low	8.67	-49.33	1	336.432	2.503	2	4	7	COC(=O)c1cc(C[N@H+](C)CC(=O)NCC2CCCCC2)oc1C
214183074	ZINC000053441913	low	8.76	-49.37	1	336.432	2.503	2	4	7	COC(=O)c1cc(C[N@@H+](C)CC(=O)NCC2CCCCC2)oc1C
214183079	ZINC000053444622	ref	4.47	-45.15	1	333.295	2.711	1	3	5	CC1(C)COCCN1CC[NH2+]Cc1cc(Br)cs1
214183085	ZINC000053444622	high	3.1	-2.84	0	333.295	2.711	1	4	5	CC1(C)COCCN1CCNCc1cc(Br)cs1
259309348	ZINC000323016566	ref	2.31	-5.37	0	243.225	2.09	1	3	5	CC[C@@](C)(CNC(=O)OCC(F)(F)F)OC
282121915	ZINC000263887189	ref	6.68	-16.38	0	329.379	2.027	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCc3c(F)cccc31)CC2
214183056	ZINC000337618061	ref	5.04	-10.54	0	260.359	0.942	1	4	4	COC(=O)[C@H]1CCN(C(=O)NC[C@@H](C)SC)C1
214183060	ZINC000337616143	ref	2.36	-9.75	0	274.324	0.777	2	5	4	Cc1nn(C)c2nc(C(=O)NC[C@@H](O)C3CC3)ccc12
187168737	ZINC000125084245	low	0.6	-17.33	0	267.31	1.047	2	5	4	CCc1nc(CS(=O)(=O)c2ccc(O)cc2)n[nH]1
342594679	ZINC000590770123	ref	3.03	-10.55	0	299.758	1.264	1	5	4	CN(C)C(=O)c1cnc(NC[C@@H]2COCCO2)c(Cl)c1
214183063	ZINC000337620323	ref	3.44	-18.34	0	299.371	0.054	1	4	3	COCC(=O)N1CCC(NC(=O)N2CCO[C@@H](C)C2)CC1
187168738	ZINC000125084245	high	1.36	-51.47	-1	267.31	1.047	1	5	4	CCc1nc(CS(=O)(=O)c2ccc([O-])cc2)n[nH]1
214183067	ZINC000337616622	ref	0.96	-11.24	0	296.367	2.295	3	4	6	CC[C@](C)(CO)NC(=O)Nc1cc(OC)cc(OC)c1C
214183071	ZINC000337617794	ref	2.98	-10.84	0	279.327	2.06	2	3	6	CC(C)[C@H](O)CC(=O)N[C@@H]1CCCC[C@H]1OC(F)F
197591219	ZINC000162780732	ref	7.39	-47.26	-1	307.375	2.268	0	7	4	Cc1ccc2nc(SCC(=O)[O-])n([C@H]3CCCOC3)c2n1
214183078	ZINC000337618687	ref	5.78	-8.6	0	279.262	2.43	2	3	6	COCCC[C@@H](C)C(=O)Nc1nc(C(F)(F)F)c[nH]1
214183080	ZINC000337618687	mid	5.7	-7.46	0	279.262	2.43	2	3	6	COCCC[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1
187168739	ZINC000125079927	ref	6.71	-9.83	0	285.384	2.184	1	4	8	CCOC(=O)CC[C@H](C)NC(=O)CC[C@@H]1CCCCO1
214183083	ZINC000337619836	ref	-0.45	-13.69	0	257.29	-0.687	2	6	8	COCC[C@H](CO)NC(=O)COc1cnn(C)c1
214183087	ZINC000337618334	ref	5.44	-16.42	0	286.375	2.015	2	2	4	CC[C@@H]1C[C@]1(NC(=O)[C@@H]1CCC(=O)N1)c1cccc(C)c1
214183090	ZINC000337615433	ref	6.2	-20.46	0	281.319	2.178	1	5	3	CCc1cccnc1NC(=O)c1ccc2c(c1)nnn2C
214183093	ZINC000337618690	ref	5.78	-8.61	0	279.262	2.43	2	3	6	COCCC[C@H](C)C(=O)Nc1nc(C(F)(F)F)c[nH]1
214183096	ZINC000337618690	mid	5.7	-7.47	0	279.262	2.43	2	3	6	COCCC[C@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1
214183100	ZINC000337618725	ref	6.14	-37.96	1	292.379	2.437	2	3	6	CC[NH+](CC)CC(=O)Nc1cccc2c1OCC[C@@H]2OC
214183101	ZINC000337618725	mid	4.09	-9.03	0	292.379	2.437	1	4	6	CCN(CC)CC(=O)Nc1cccc2c1OCC[C@@H]2OC
214183105	ZINC000337619838	ref	-0.45	-13.69	0	257.29	-0.687	2	6	8	COCC[C@@H](CO)NC(=O)COc1cnn(C)c1
214183108	ZINC000337619760	ref	4.33	-20.97	0	271.426	2.23	1	2	3	CC1(C)CCCC[C@@H]1CC(=O)N[C@H]1CC[S@](=O)C1
178299895	ZINC000237140454	high	0.99	-39.89	0	357.657	1.609	1	3	6	C[NH2+]CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br
214183064	ZINC000278484295	ref	3.1	-12.21	0	301.346	2.716	1	4	4	Cc1ccc(NC(=O)c2cocn2)cc1C(=O)N(C)C(C)C
178299898	ZINC000237140839	ref	5.5	-37.01	1	351.472	1.223	1	3	4	C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O
214183069	ZINC000278483405	ref	5.44	-7.22	0	314.433	2.431	1	5	7	C[C@H](CNc1cnn(CCN2CCOCC2)c1)c1ccccc1
214183072	ZINC000278483405	low	7.87	-40.45	1	314.433	2.431	2	4	7	C[C@H](CNc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1
214183076	ZINC000278484542	ref	6.99	-11.06	0	303.402	3.186	1	3	5	CC(C)=CCOc1cccc(C(=O)N[C@H]2CCOC[C@@H]2C)c1
214183081	ZINC000278484540	ref	7.56	-47.39	1	317.433	2.438	3	2	5	CC(=O)c1c(C)[nH]c(C(=O)NCC2CC[NH+](C3CC3)CC2)c1C
178299901	ZINC000237148895	ref	4.67	-50.81	1	357.458	1.941	1	5	7	C[NH2+]CCCC(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1
178299905	ZINC000237139867	ref	6.28	-47.97	1	368.275	1.666	2	2	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
214183084	ZINC000278483153	ref	6.22	-15.47	0	304.39	2.309	0	3	3	CC[C@@H]1CO[C@@H](C)CN1C(=O)c1ccc(N(C)C(C)=O)cc1
214183088	ZINC000278483719	ref	6.61	-52.92	1	305.397	3.295	1	3	8	CCN(CC)[C@H](C[NH2+]Cc1ccc(F)nc1C)c1ccco1
214183092	ZINC000278483719	high	5.14	-6.27	0	305.397	3.295	1	4	8	CCN(CC)[C@H](CNCc1ccc(F)nc1C)c1ccco1
214183097	ZINC000278482771	ref	7.18	-9.67	0	316.401	1.838	0	3	1	COc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@@H](C)C1)C2
214183102	ZINC000278483296	ref	7.13	-42.43	1	319.449	2.825	3	2	4	C[C@H](NC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1)c1cccc(O)c1
178299907	ZINC000237143374	ref	4.92	-50.88	1	363.483	1.264	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CC13CC[NH2+]CC3)CC2
178299911	ZINC000237142649	ref	1.0	-13.04	0	352.46	1.114	2	6	8	COc1c(CNCCNS(=O)(=O)c2ccc(C)cc2)c(C)nn1C
178299913	ZINC000237142649	mid	2.37	-53.08	1	352.46	1.114	2	5	8	COc1c(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c(C)nn1C
178299914	ZINC000237147312	ref	6.59	-54.55	1	358.442	1.816	1	5	6	CN(C)C(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2
214183106	ZINC000278483296	high	4.75	-11.11	0	319.449	2.825	2	3	4	C[C@H](NC(=O)N(C)[C@H](C)C1CCN(C)CC1)c1cccc(O)c1
214183111	ZINC000278483091	ref	7.02	-7.03	0	300.377	3.491	0	3	3	Cc1nc(F)ccc1CN1C[C@@H](c2ccccc2)OC[C@H]1C
342087833	ZINC000609039201	ref	4.26	-19.62	0	282.307	1.127	1	6	4	Cc1ccnc(NC(=O)CN(C)c2nccnc2C#N)c1
342087834	ZINC000609039430	ref	5.83	-10.57	0	251.311	1.791	0	6	3	COC(=O)c1cn(Cc2cc(C)sc2C)nn1
343993672	ZINC000599268629	ref	1.46	-11.1	0	297.355	1.219	1	7	6	CCOC(=O)C[C@@H](O)CN1CCCC[C@H]1c1noc(C)n1
342087835	ZINC000622702241	ref	2.41	-16.35	0	272.757	1.196	2	3	4	O=C(Cc1ccc(Cl)s1)NC[C@H]1CNC(=O)C1
342087836	ZINC000609040428	ref	7.99	-53.25	1	260.341	1.954	2	3	7	Cc1ccnc(NC(=O)C[N@H+](C)CCCCC#N)c1
342087837	ZINC000609040428	mid	5.74	-17.02	0	260.341	1.954	2	3	7	Cc1ccnc(NC(=O)C[N@@H+](C)CCCCC#N)c1
342087838	ZINC000609040428	mid	5.74	-17.02	0	260.341	1.954	1	4	7	Cc1ccnc(NC(=O)CN(C)CCCCC#N)c1
342087839	ZINC000121107877	ref	6.08	-13.92	0	278.352	1.876	0	4	6	CCO[C@H](CC)C(=O)N1CC[C@@H](Oc2ccncc2)C1
365631670	ZINC000617414210	mid	3.51	-10.61	0	262.357	0.972	1	4	3	CN1CCC[C@H](NC(=O)c2ccnc(N(C)C)c2)C1
293077992	ZINC000561315928	mid	6.93	-36.01	1	266.385	1.4	2	2	4	CC1C[NH+]([C@H](C)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1
349534351	ZINC000602429764	ref	6.81	-41.32	1	224.304	2.032	2	2	5	CCOC(=O)c1ccc(C[N@H+](C)C(C)C)[nH]1
214724969	ZINC000338694960	ref	1.61	-12.07	0	256.346	0.567	3	3	4	CC[C@H](C)[C@H](O)C(=O)N[C@@H]1CCC(=O)NC1(C)C
342087840	ZINC000121107877	low	6.53	-46.53	1	278.352	1.876	0	3	6	CCO[C@H](CC)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1
214724975	ZINC000338695674	ref	-1.88	-18.52	0	278.374	-0.742	1	5	6	CO[C@H](C)CCNC(=O)CN1CCS(=O)(=O)CC1
342087841	ZINC000609039377	ref	6.94	-43.65	1	280.328	1.512	2	5	7	COCC[N@@H+]1CCC[C@H]1CNc1cccnc1[N+](=O)[O-]
342087842	ZINC000609039377	mid	5.99	-52.68	1	280.328	1.512	2	5	7	COCC[N@H+]1CCC[C@H]1CNc1cccnc1[N+](=O)[O-]
342087843	ZINC000609039377	high	4.15	-14.02	0	280.328	1.512	1	6	7	COCCN1CCC[C@H]1CNc1cccnc1[N+](=O)[O-]
342087844	ZINC000127119847	ref	1.56	-13.06	0	275.23	1.573	3	2	3	CNC(=O)NCC(=O)Nc1cccc(C(F)(F)F)c1
342087845	ZINC000046800612	ref	3.11	-46.53	-1	293.291	1.195	0	4	4	COC(=O)C(C)(C)[N-]S(=O)(=O)c1c(F)cccc1F
342087846	ZINC000046800612	mid	2.85	-12.22	0	293.291	1.195	1	4	4	COC(=O)C(C)(C)NS(=O)(=O)c1c(F)cccc1F
342087847	ZINC000622702272	ref	3.98	-15.64	0	278.327	1.572	2	2	5	C[C@H](CC(=O)NC[C@@H]1CNC(=O)C1)c1cccc(F)c1
342087848	ZINC000622702188	ref	4.39	-19.6	0	296.317	1.54	2	2	6	O=C(CCCc1ccc(F)c(F)c1)NC[C@@H]1CNC(=O)C1
342087849	ZINC000600314668	ref	5.02	-48.91	-1	278.264	1.305	0	5	2	O=C(c1cc([N+](=O)[O-])ccc1[O-])N1CC2(CCCO2)C1
178299917	ZINC000237147312	high	6.24	-16.73	0	358.442	1.816	1	6	6	CN(C)C(=O)CCNCc1cn(C)nc1-c1ccc2c(c1)OCCCO2
178299920	ZINC000237154785	ref	6.65	-58.75	1	354.476	1.998	2	6	8	COC(=O)CCCc1nnc(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)s1
178299924	ZINC000237140820	ref	6.29	-47.92	1	368.275	1.666	2	2	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
178299926	ZINC000237153587	ref	5.51	-90.2	2	362.503	1.605	3	5	6	Cc1c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)nnn1C1CC[NH2+]CC1
178299928	ZINC000237153587	mid	2.89	-51.16	1	362.503	1.605	2	6	6	Cc1c(C(=O)NC[C@@H](c2cccs2)N(C)C)nnn1C1CC[NH2+]CC1
178299932	ZINC000237142921	ref	3.4	-70.87	1	354.41	1.655	3	3	6	COc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1N1CCNC1=O
178299938	ZINC000237142921	high	3.04	-21.43	0	354.41	1.655	3	4	6	COc1ccc(C(=O)NC[C@H](N)c2ccccc2)cc1N1CCNC1=O
178299941	ZINC000237140226	ref	3.82	-9.68	0	359.499	1.496	1	6	6	CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1csc(CN)n1
178299945	ZINC000237140226	mid	4.22	-58.15	1	359.499	1.496	1	5	6	CN(CCN1CCN(c2ccccc2)CC1)C(=O)c1csc(C[NH3+])n1
178299948	ZINC000237140226	low	6.61	-102.06	2	359.499	1.496	2	4	6	CN(CC[NH+]1CCN(c2ccccc2)CC1)C(=O)c1csc(C[NH3+])n1
178299950	ZINC000237146773	ref	4.0	-52.94	1	360.458	1.862	3	3	6	COc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1N1CCNC1=O
214183068	ZINC000293542197	high	2.86	-11.36	0	353.85	0.983	2	4	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CNC(=O)c1cccc(Cl)c1
214183073	ZINC000293546341	ref	7.86	-14.88	0	374.323	0.877	0	8	6	CCOC(=O)CN(CC(F)(F)F)C(=O)c1nnn(-c2ccn(C)n2)c1C
365631674	ZINC000625064978	ref	6.47	-12.83	0	301.358	2.321	0	2	4	O=S(=O)(CCc1c(F)cccc1F)N1C[C@@H]2CCC[C@@H]21
365631687	ZINC000625065019	ref	5.63	-15.31	0	315.373	2.474	1	5	4	CCn1cc(C(=O)N[C@@H]2CCOc3c(OC)cccc32)c(C)n1
365631695	ZINC000625064499	ref	1.37	-9.48	0	303.362	2.005	0	6	8	COc1ccc(OCCN(C)Cc2cncc(OC)n2)cc1
365631709	ZINC000625064499	mid	4.31	-43.81	1	303.362	2.005	1	5	8	COc1ccc(OCC[N@H+](C)Cc2cncc(OC)n2)cc1
365631718	ZINC000625064499	mid	3.75	-45.79	1	303.362	2.005	1	5	8	COc1ccc(OCC[N@@H+](C)Cc2cncc(OC)n2)cc1
178299954	ZINC000237147792	ref	1.26	-55.78	1	354.476	1.435	3	4	6	CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1
398248147	ZINC000395029714	high	-0.38	-7.4	0	239.319	0.529	2	5	5	Cc1cc(CN[C@H]2CCCN(CCO)C2)on1
398248148	ZINC000625698673	ref	8.67	-5.62	0	249.398	3.674	1	1	7	C=CC[C@H](C)NC(=O)CC(C1CCC1)C1CCC1
398248149	ZINC000625698654	ref	4.79	-18.08	0	243.257	1.901	1	3	6	C=CC[C@H](C)NC(=O)Cn1ccc(C(F)F)n1
398248150	ZINC000313442929	ref	1.06	-54.42	1	223.305	0.914	2	5	4	Cn1cc(-c2csc(NCC[NH3+])n2)cn1
178299922	ZINC000360416906	ref	2.59	-14.7	0	241.254	1.847	3	3	2	Cc1cc2n[nH]cc2cc1NC(=O)c1cn[nH]c1
178299930	ZINC000360416906	mid	2.49	-12.7	0	241.254	1.847	3	3	2	Cc1cc2[nH]ncc2cc1NC(=O)c1cn[nH]c1
136229091	ZINC000292802584	ref	4.51	-13.17	0	237.328	1.521	1	3	4	C#CCN(C)C(=O)NC[C@H](C)c1nccs1
136229092	ZINC000292817302	ref	4.68	-10.93	0	224.304	1.076	1	2	3	C#CCN(C)C(=O)NC[C@@H]1CCO[C@H](C)C1
178299943	ZINC000336616576	ref	4.4	-8.82	0	245.326	2.852	2	3	2	Cc1cc2n[nH]cc2cc1N[C@@H]1CCCOCC1
214183077	ZINC000293550637	ref	-0.58	-23.06	0	372.468	0.178	1	7	4	CC(=O)c1cc(C(=O)N[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cs1
178299947	ZINC000336394152	ref	6.06	-12.99	0	243.31	2.856	2	2	3	Cc1cc2n[nH]cc2cc1NC(=O)C[C@H]1C[C@@H]1C
214183082	ZINC000293552741	ref	1.28	-23.9	0	367.427	0.711	2	5	2	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@@H]2C)c1
178299952	ZINC000336394152	mid	5.96	-11.12	0	243.31	2.856	2	2	3	Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1C[C@@H]1C
214183086	ZINC000293553738	ref	3.3	-16.59	0	369.462	0.897	1	4	6	CS(=O)(=O)N1CCN(CC(=O)NCc2ccc(C3CC3)cc2F)CC1
214183091	ZINC000293551771	ref	2.66	-46.06	1	374.434	0.656	3	5	5	COC(=O)c1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(F)cc1C
214183095	ZINC000293551771	mid	0.29	-11.22	0	374.434	0.656	2	6	5	COC(=O)c1cc(S(=O)(=O)NCC2(O)CCN(C)CC2)c(F)cc1C
214183099	ZINC000293551771	high	0.2	-42.51	-1	374.434	0.656	1	6	5	COC(=O)c1cc(S(=O)(=O)[N-]CC2(O)CCN(C)CC2)c(F)cc1C
214183104	ZINC000293545298	ref	0.65	-9.48	0	350.16	0.264	2	4	4	CC(C)[C@@H](NC(=O)c1c(I)cnn1C)C(N)=O
214183110	ZINC000293550182	ref	1.91	-23.77	0	372.425	0.889	3	4	4	CNC(=O)CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O
214183115	ZINC000293548696	ref	3.97	-21.9	0	359.43	0.255	2	5	4	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)C1
214183120	ZINC000293552682	ref	6.17	-11.86	0	361.402	0.621	2	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H](C)CCc1cccn1C
365631676	ZINC000617414080	ref	4.09	-53.12	1	291.351	0.375	3	3	5	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1
230724471	ZINC000450367740	ref	2.08	-16.3	0	323.418	1.383	0	6	4	C[C@H](CN1CCN(c2nc3ccccc3o2)CC1)S(C)(=O)=O
230724472	ZINC000450367740	low	4.08	-48.41	1	323.418	1.383	1	5	4	C[C@H](C[NH+]1CCN(c2nc3ccccc3o2)CC1)S(C)(=O)=O
365631685	ZINC000617414080	mid	3.56	-51.17	1	291.351	0.375	3	3	5	C[N@H+]1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1
365631691	ZINC000617414080	mid	1.2	-16.86	0	291.351	0.375	2	4	5	CN1CCC[C@@H](NC(=O)c2ccc(OCC(N)=O)cc2)C1
365631700	ZINC000617411591	ref	3.49	-45.8	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[N@H+](C)C1
187168740	ZINC000125086124	ref	6.74	-8.74	0	277.368	2.849	1	3	2	Cc1cc(CNC(=O)N2CCC3(CCCC3)CC2)on1
187168741	ZINC000125090561	ref	4.86	-16.41	0	291.376	1.783	1	4	2	Cc1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cn1
187168742	ZINC000125085978	ref	9.5	-39.1	1	276.38	2.289	1	3	6	CCOC(=O)CC1CC[NH+](CCc2ccccn2)CC1
342087850	ZINC000600314668	low	4.04	-13.31	0	278.264	1.305	1	5	2	O=C(c1cc([N+](=O)[O-])ccc1O)N1CC2(CCCO2)C1
282121916	ZINC000424320266	ref	8.03	-42.19	1	299.455	3.149	1	3	7	CCC(CC)(C[NH2+][C@H](C)[C@H]1CCOC1)C(=O)OC(C)(C)C
342087851	ZINC000609039062	ref	7.42	-51.54	1	264.329	1.957	1	4	4	CC(C)[NH2+]C1CCN(c2cccnc2[N+](=O)[O-])CC1
342087852	ZINC000622702199	ref	3.99	-16.66	0	282.384	1.367	2	3	6	CC[C@H](OC1CCCCC1)C(=O)NC[C@H]1CNC(=O)C1
342087853	ZINC000622702230	ref	4.0	-16.79	0	296.317	1.711	2	2	5	C[C@@H](CC(=O)NC[C@@H]1CNC(=O)C1)c1ccc(F)cc1F
342087854	ZINC000127108368	ref	7.1	-42.62	1	265.401	1.914	2	1	2	C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC3(CCC3)C2)C1
342087855	ZINC000127108368	mid	7.54	-42.0	1	265.401	1.914	2	1	2	C[N@H+]1CCC[C@@H](CNC(=O)N2CCC3(CCC3)C2)C1
342087856	ZINC000127108368	high	5.15	-8.13	0	265.401	1.914	1	2	2	CN1CCC[C@@H](CNC(=O)N2CCC3(CCC3)C2)C1
342087857	ZINC000121104947	ref	7.66	-37.15	1	278.4	1.295	1	3	5	Cn1nccc1CCC(=O)N1CCCC[C@H]1C[NH+](C)C
342087858	ZINC000121104947	high	6.81	-7.22	0	278.4	1.295	0	4	5	CN(C)C[C@@H]1CCCCN1C(=O)CCc1ccnn1C
342087859	ZINC000127105054	ref	2.98	-38.4	1	254.374	1.032	1	3	5	C[C@@H]([NH2+]CC1=CCCOC1)[C@@H](C)N1CCOCC1
342087860	ZINC000609040333	ref	9.1	-44.93	1	299.382	1.635	2	6	7	C[C@@H](CNc1ncnc2c1cnn2CCC#N)[N@H+](C)C1CC1
342088649	ZINC000046826268	ref	4.48	-11.37	0	278.352	1.139	1	3	5	COc1ccc(C)cc1CC(=O)N[C@@H](C)C(=O)N(C)C
365631678	ZINC000122662579	ref	5.21	-8.09	0	265.378	2.42	1	2	4	C=C(C)CNS(=O)(=O)c1ccc2c(c1)CCCC2
365631689	ZINC000122757283	ref	6.66	-31.24	1	254.337	2.389	1	3	2	CNc1cc(N2CCc3ccccc3C2)nc(C)[nH+]1
230724479	ZINC000425416937	ref	2.0	-9.32	0	313.279	2.454	1	5	4	O[C@H]1C[C@H](c2ccc(F)cc2)N(Cc2nc(C(F)F)no2)C1
230724483	ZINC000425422408	ref	6.47	-15.71	0	305.334	2.201	2	4	5	COc1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-]
290622317	ZINC000357220565	ref	4.73	-5.81	0	303.406	2.75	3	3	3	C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1ccccc1NC(C)(C)C
299072152	ZINC000354602715	ref	2.64	-27.38	0	336.388	0.861	2	5	8	COc1ccccc1OCC(=O)N[C@H](CC(N)=O)C1CCOCC1
342087861	ZINC000609040333	mid	8.74	-45.13	1	299.382	1.635	2	6	7	C[C@@H](CNc1ncnc2c1cnn2CCC#N)[N@@H+](C)C1CC1
342087862	ZINC000609039198	ref	5.7	-23.92	0	264.285	1.411	1	5	4	CC(C)N1C[C@@H](Nc2cccnc2[N+](=O)[O-])CC1=O
342087863	ZINC000121104428	ref	7.27	-33.91	1	250.342	1.765	1	2	4	C[NH+](C)C[C@H]1CCCCN1C(=O)Cc1ccoc1
214183089	ZINC000053413652	ref	2.16	-22.34	0	327.369	1.744	2	6	5	NC(=O)Cn1cc(NC(=O)c2csc(-c3ccccc3)n2)cn1
342087864	ZINC000121104428	high	6.32	-7.04	0	250.342	1.765	0	3	4	CN(C)C[C@H]1CCCCN1C(=O)Cc1ccoc1
398248151	ZINC000000037829	ref	8.44	-44.51	1	237.67	0.421	1	4	3	Nn1cn[n+](CC(=O)c2ccc(Cl)cc2)c1
398248152	ZINC000390779410	ref	4.49	-15.25	0	236.304	0.247	1	7	2	C[C@@H]1SCC[C@@H]1Nc1ccc2nnnn2n1
398248153	ZINC000390781354	ref	2.52	-95.38	2	211.309	-0.053	2	1	1	C[C@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C
398248154	ZINC000390781354	high	1.27	-36.03	1	211.309	-0.053	2	2	1	C[C@H]1NCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C
398248155	ZINC000390781351	ref	2.73	-95.49	2	211.309	-0.053	2	1	1	C[C@H]1[C@@H](C)[NH2+]CCN1C(=O)[C@H]1CCC[NH2+]1
214183094	ZINC000053416402	ref	9.97	-17.25	0	342.428	2.628	1	7	6	C[C@H](C1CC1)n1nccc1NC(=O)CSc1nnc2ccccn12
214183098	ZINC000053413851	ref	1.89	-28.36	0	344.762	1.664	3	5	5	NC(=O)Cn1cc(NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)cn1
214183103	ZINC000053413851	mid	1.8	-23.73	0	344.762	1.664	3	5	5	NC(=O)Cn1cc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)cn1
214183107	ZINC000053413851	high	1.73	-52.08	-1	344.762	1.664	2	5	5	NC(=O)Cn1cc(NC(=O)c2c[n-]nc2-c2ccc(Cl)cc2)cn1
214183109	ZINC000053424333	ref	8.73	-11.41	0	346.427	3.048	0	3	3	CCc1ccsc1C(=O)N1CCN(C(=O)c2ccc(F)cc2)CC1
214183112	ZINC000337616859	ref	8.44	-49.55	1	289.379	3.474	2	3	5	C[NH+](C)[C@H](CNc1ccc(C#N)cc1F)c1ccsc1
214183114	ZINC000337616859	high	6.04	-6.0	0	289.379	3.474	1	4	5	CN(C)[C@H](CNc1ccc(C#N)cc1F)c1ccsc1
214183117	ZINC000337619357	ref	7.87	-12.57	0	277.372	2.019	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@H]2CC2(C)C)n1
214183121	ZINC000337619470	ref	4.72	-14.07	0	283.349	2.155	1	5	5	CCOCC(=O)Nc1cc2c(cc1SC)OCCO2
214183124	ZINC000337616616	ref	6.87	-6.32	0	278.421	3.459	1	3	3	Cc1nc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)c(C)s1
214183126	ZINC000337616345	ref	2.89	-10.99	0	286.278	2.067	2	4	4	O=C(N[C@H]1CCCC[C@H]1OC(F)F)c1ncccc1O
343993678	ZINC000599270677	ref	8.33	-9.35	0	283.368	1.602	0	4	8	CCO[C@@H](C(=O)N(C[C@@H](C)C(=O)OC)C1CC1)C1CC1
214183130	ZINC000337616345	mid	3.89	-53.26	-1	286.278	2.067	1	4	4	O=C(N[C@H]1CCCC[C@H]1OC(F)F)c1ncccc1[O-]
190493251	ZINC000269422141	ref	5.48	-55.62	1	267.394	2.328	1	2	8	C=CCC[C@H]([NH2+]CCS(C)(=O)=O)c1ccccc1
214183138	ZINC000337616092	ref	5.2	-7.93	0	285.428	2.306	1	3	7	C[C@@H]1C[C@H](CC(=O)N(C)CCOCCO)CC(C)(C)C1
214183142	ZINC000337618080	ref	7.1	-9.06	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@H](C)c1nnc([C@@H](C)CC)[nH]1
214183143	ZINC000337618080	mid	6.58	-8.76	0	280.416	3.322	2	3	8	CCCC[C@H](C)C(=O)N[C@H](C)c1n[nH]c([C@@H](C)CC)n1
214183147	ZINC000337616154	ref	3.72	-9.45	0	262.334	2.39	1	4	4	COc1cc(C)cc(CNC(=O)c2cncs2)c1
342087865	ZINC000622702209	ref	2.71	-16.17	0	250.273	1.0	2	2	3	Cc1c(F)cccc1C(=O)NC[C@H]1CNC(=O)C1
214183150	ZINC000337618370	ref	3.46	-14.78	0	259.313	0.631	2	5	4	CNC(=O)C(C)(C)CNc1ncnc2ccncc12
214183154	ZINC000337619845	ref	0.96	-47.37	-1	276.3	0.063	1	5	5	COCCn1cc(CNC(=O)N=c2cccn[n-]2)cn1
214183157	ZINC000337619845	low	0.33	-17.87	0	276.3	0.063	2	5	5	COCCn1cc(CNC(=O)N=c2cccn[nH]2)cn1
214183161	ZINC000337616044	ref	3.46	-19.68	0	277.324	0.504	1	5	7	CN(CCOCCO)C(=O)Cn1ncc2ccccc21
214183165	ZINC000337616582	ref	2.81	-14.21	0	287.385	0.613	1	6	8	CCN(CCOCCO)C(=O)c1cnn(C)c1SC
214183169	ZINC000337620288	ref	2.78	-9.11	0	276.258	2.327	1	3	4	COc1cc(C(=O)NC[C@@H](C)C(F)(F)F)cc(C)n1
214183172	ZINC000337620129	ref	2.77	-8.11	0	268.342	0.674	2	5	6	CCSCCCNC(=O)C(=O)Nc1cncnc1
214183174	ZINC000337620126	ref	2.69	-17.24	0	275.292	0.749	1	4	8	CN(CCOCCO)C(=O)CSCC(F)(F)F
342087866	ZINC000121104792	ref	7.34	-37.83	1	278.4	1.295	1	3	5	Cn1nccc1CCC(=O)N1CCCC[C@@H]1C[NH+](C)C
214183116	ZINC000278483091	low	8.85	-45.93	1	300.377	3.491	1	2	3	Cc1nc(F)ccc1C[N@H+]1C[C@@H](c2ccccc2)OC[C@H]1C
343993681	ZINC000599271109	ref	7.05	-37.5	1	285.384	1.457	1	4	6	COC(=O)CC1CC[NH+](CCOC2CCOCC2)CC1
214183118	ZINC000278483091	low	8.61	-46.04	1	300.377	3.491	1	2	3	Cc1nc(F)ccc1C[N@@H+]1C[C@@H](c2ccccc2)OC[C@H]1C
323004430	ZINC000150979038	ref	4.99	-8.19	0	235.308	2.761	1	3	4	C[C@@H](C(=O)NCc1ccco1)c1ccsc1
342087867	ZINC000121104792	high	5.61	-8.72	0	278.4	1.295	0	4	5	CN(C)C[C@H]1CCCCN1C(=O)CCc1ccnn1C
342087868	ZINC000600314666	ref	6.61	-15.79	0	289.331	1.407	0	4	3	COC(=O)c1cccc(CC(=O)N2CC3(CCCO3)C2)c1
342087869	ZINC000622702229	ref	4.0	-16.62	0	296.317	1.711	2	2	5	C[C@@H](CC(=O)NC[C@H]1CNC(=O)C1)c1ccc(F)cc1F
342087870	ZINC000621362320	ref	5.09	-35.99	1	282.428	1.633	3	2	5	C[C@H]1CC[N@H+](CC(=O)NCC2CCCCC2)C[C@H]1CO
185087432	ZINC000096072072	mid	5.44	-41.33	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@]2(CC[N@H+](Cc3cnc[nH]3)C2)C1
214183122	ZINC000278483381	ref	10.02	-10.94	0	307.39	2.937	0	4	7	CCC[C@]1(C(=O)OCC)CCCN1C(=O)CCc1ccco1
185087434	ZINC000096072072	mid	5.64	-41.59	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@]2(CC[N@@H+](Cc3cnc[nH]3)C2)C1
185087436	ZINC000096072072	high	3.14	-7.85	0	265.357	1.427	1	4	5	COCC[C@H]1CO[C@]2(CCN(Cc3cnc[nH]3)C2)C1
214183137	ZINC000278484148	ref	4.39	-10.51	0	307.325	1.841	1	6	6	COC(=O)C(C)(C)NCc1nc(Cc2cccc(F)c2)no1
214183141	ZINC000278483218	ref	5.98	-9.9	0	318.236	3.084	1	3	3	CC1(C)CC[C@@H](C(=O)NCc2csc(Br)c2)O1
214183146	ZINC000278484535	ref	2.15	-43.41	1	306.225	2.142	2	3	5	OCC[C@]1([NH2+]Cc2ccc(Br)s2)CCOC1
214183148	ZINC000278484535	high	1.14	-4.41	0	306.225	2.142	2	4	5	OCC[C@]1(NCc2ccc(Br)s2)CCOC1
214183152	ZINC000278483275	ref	5.88	-13.19	0	315.339	3.272	2	2	2	O=C(N[C@@H]1CCCc2c[nH]nc21)C1CCC(C(F)(F)F)CC1
214183156	ZINC000278483275	mid	5.89	-12.54	0	315.339	3.272	2	2	2	O=C(N[C@@H]1CCCc2cn[nH]c21)C1CCC(C(F)(F)F)CC1
214183160	ZINC000278483667	ref	6.19	-17.03	0	301.184	1.938	0	3	3	CCN(CC)C(=O)c1cc(Br)c(C)n(C)c1=O
214183164	ZINC000278484588	ref	4.78	-8.7	0	311.451	2.883	1	5	6	COC(C)(C)CC(=O)Nc1nc(CN2CCCCC2)cs1
214183168	ZINC000278484588	low	7.53	-36.61	1	311.451	2.883	2	4	6	COC(C)(C)CC(=O)Nc1nc(C[NH+]2CCCCC2)cs1
214183173	ZINC000278483376	ref	6.54	-14.62	0	318.421	2.356	1	4	5	CCO[C@H]1C[C@H](N(C)C(=O)NCc2cccnn2)C12CCCC2
197591221	ZINC000162781866	ref	6.22	-18.87	0	315.417	2.743	2	3	6	O=C(CCNC(=O)[C@@H]1C[C@H]1C1CCCCC1)Nc1ccncc1
230724491	ZINC000450368513	ref	8.9	-13.22	0	312.329	1.954	0	5	3	O=C1CN(c2nccc3cc([N+](=O)[O-])ccc23)CCN1C1CC1
365631680	ZINC000354697898	ref	6.41	-6.51	0	288.395	1.686	0	5	4	CN(C)c1ncc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1
365631688	ZINC000354697898	low	9.04	-37.26	1	288.395	1.686	1	4	4	CN(C)c1ncc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1
365631698	ZINC000354697898	low	9.4	-38.5	1	288.395	1.686	1	4	4	CN(C)c1ncc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1
342594680	ZINC000590770125	ref	6.61	-12.15	0	277.328	1.074	1	6	3	CCOC1CCN(c2nc3c(cnn3C)c(=O)[nH]2)CC1
365631707	ZINC000354698817	ref	6.47	-11.05	0	285.384	1.584	1	4	5	CC(C)OC(=O)C[C@@H]1CCCN(C(=O)[C@@H](O)C(C)C)C1
365631719	ZINC000354698357	ref	8.42	-46.35	1	270.442	1.93	1	2	5	CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCSC2)C1
365631730	ZINC000354698357	mid	8.42	-46.35	1	270.442	1.93	1	2	5	CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCSC2)C1
230744783	ZINC000425612355	ref	8.28	-44.97	1	321.465	2.07	2	2	3	C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1C[C@H]1C1CCC1
230744785	ZINC000425612355	mid	8.08	-44.78	1	321.465	2.07	2	2	3	C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1C[C@H]1C1CCC1
230744787	ZINC000425612355	high	5.93	-7.46	0	321.465	2.07	1	3	3	C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1C[C@H]1C1CCC1
230744789	ZINC000425609495	ref	6.17	-18.84	0	324.421	2.175	1	2	2	C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2C[C@@]2(F)c2ccccc2)CC[S@@]1=O
230744791	ZINC000425614033	ref	4.36	-11.78	0	304.39	2.458	2	3	3	COCc1ccccc1NC(=O)N1C[C@H]2C[C@@H](O)CC[C@H]2C1
230744794	ZINC000425612366	ref	3.58	-17.86	0	316.361	2.467	3	4	4	COc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1NC(C)=O
365631742	ZINC000268794364	ref	3.73	-5.86	0	293.327	1.098	2	7	2	Nc1nc(N2CC[C@@]3(O)CCCC[C@H]3C2)ncc1[N+](=O)[O-]
365631778	ZINC000354699213	ref	6.78	-38.89	1	254.399	1.481	2	2	3	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCSC2)C[N@@H+]1C1CC1
365631786	ZINC000354699213	mid	4.56	-7.35	0	254.399	1.481	2	2	3	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCSC2)C[N@H+]1C1CC1
342594681	ZINC000616962176	ref	3.15	-16.43	0	266.728	1.448	2	2	3	C[C@H](C(=O)N[C@@H]1CCNC1=O)c1cccc(Cl)c1
230744801	ZINC000425614324	ref	5.36	-16.6	0	320.437	2.061	3	3	4	CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)N[C@@H]2CC[C@H](C#N)C2)C1
365631791	ZINC000354699213	high	4.56	-7.35	0	254.399	1.481	1	3	3	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCSC2)CN1C1CC1
342594682	ZINC000590769920	ref	4.97	-40.64	-1	296.334	1.485	0	6	2	Cc1nnc2n1C[C@@H](N=c1[n-]c(-c3ccccc3)no1)CC2
342594683	ZINC000590769614	ref	6.6	-10.89	0	277.328	1.074	1	6	3	CCO[C@@H]1CCCN(c2nc3c(cnn3C)c(=O)[nH]2)C1
214724971	ZINC000299565141	ref	5.05	-21.1	0	372.381	0.861	1	7	6	CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)C(=O)c1cnn(C)c1
342594684	ZINC000590769929	ref	7.02	-16.71	0	291.318	1.548	2	6	4	c1ccc(-c2nnc3ccc(NCc4cc[nH]n4)nn23)cc1
214724974	ZINC000299570795	ref	5.68	-15.6	0	361.442	0.443	1	5	8	COC(=O)CNC(=O)CN1CCN(C(=O)CCCc2ccccc2)CC1
342594685	ZINC000616962080	ref	3.03	-18.04	0	274.32	1.236	2	3	4	O=C(N[C@@H]1CCNC1=O)c1ccc(OC2CCC2)cc1
365631682	ZINC000576586566	ref	3.9	-41.37	1	246.314	1.418	3	2	4	C[C@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2cc[nH]c2n1
342594686	ZINC000616962203	ref	3.04	-20.21	0	276.336	1.096	2	3	6	C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CCNC1=O
342594687	ZINC000590770284	ref	7.06	-8.86	0	298.394	1.502	0	6	2	CN1CCc2ncnc(N3CCC[C@@H](n4ccnc4)C3)c2C1
342594688	ZINC000590770284	low	10.19	-90.63	2	298.394	1.502	1	4	2	C[N@@H+]1CCc2ncnc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2C1
342594689	ZINC000590770284	low	10.18	-89.87	2	298.394	1.502	1	4	2	C[N@H+]1CCc2ncnc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2C1
342594690	ZINC000590770284	low	7.77	-35.24	1	298.394	1.502	0	5	2	CN1CCc2ncnc(N3CCC[C@@H](n4cc[nH+]c4)C3)c2C1
342594691	ZINC000590769318	ref	5.54	-14.31	0	280.335	1.858	0	6	1	Cc1nc2n(c1C)CCN(c1ccc3nccnc3n1)C2
342594692	ZINC000590769318	low	5.96	-35.59	1	280.335	1.858	0	5	1	Cc1[nH+]c2n(c1C)CCN(c1ccc3nccnc3n1)C2
342594693	ZINC000616962140	ref	3.29	-17.45	0	292.31	1.039	2	3	5	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)C(=O)c1cccc(F)c1
342594694	ZINC000590769786	ref	6.8	-14.0	0	297.362	1.784	2	6	4	C[C@H](Nc1ccc2nnc(-c3ccccc3)n2n1)C(C)(C)O
342594695	ZINC000590769417	ref	7.49	-10.65	0	275.356	1.729	2	5	3	C[C@@H]1CCC[C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)C1
342594696	ZINC000590769353	ref	7.12	-10.57	0	275.356	1.729	2	5	3	C[C@@H]1CCCC[C@@H]1CNc1nc2c(cnn2C)c(=O)[nH]1
342594697	ZINC000616962311	ref	3.17	-16.96	0	266.728	1.196	2	2	3	Cc1ccc(CC(=O)N[C@H]2CCNC2=O)c(Cl)c1
342594698	ZINC000590770084	ref	7.57	-14.22	0	297.318	1.468	1	6	1	Cn1ncc2c(=O)[nH]c(N3CCOc4ccccc4C3)nc21
342087871	ZINC000621362320	mid	4.86	-35.47	1	282.428	1.633	3	2	5	C[C@H]1CC[N@@H+](CC(=O)NCC2CCCCC2)C[C@H]1CO
342087872	ZINC000621362320	mid	2.68	-8.63	0	282.428	1.633	2	3	5	C[C@H]1CCN(CC(=O)NCC2CCCCC2)C[C@H]1CO
342087873	ZINC000609039179	ref	5.53	-45.49	1	279.344	1.038	2	5	5	C[C@@H](CNc1cccnc1[N+](=O)[O-])N1CC[NH+](C)CC1
342087874	ZINC000609039179	mid	3.18	-15.12	0	279.344	1.038	1	6	5	C[C@@H](CNc1cccnc1[N+](=O)[O-])N1CCN(C)CC1
178299946	ZINC000082795281	ref	3.88	-5.45	0	285.189	2.488	1	4	5	CCN[C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
365631693	ZINC000274350105	mid	3.66	-11.35	0	278.278	1.976	2	3	8	O=C(CCCCc1cn[nH]n1)NCCCC(F)(F)F
214183125	ZINC000293553780	ref	5.62	-27.84	0	371.459	0.422	0	7	4	COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)Cc1c(C)nn(C(C)C)c1C
178299949	ZINC000082795281	low	5.11	-46.9	1	285.189	2.488	1	3	5	CC[NH2+][C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
178299951	ZINC000082795344	ref	4.8	-8.46	0	285.189	2.455	1	4	3	Cc1nn([C@H](C)C[C@@](C)(N)C#N)c(C)c1Br
178299953	ZINC000082795344	mid	4.69	-60.63	1	285.189	2.455	1	3	3	Cc1nn([C@H](C)C[C@@](C)([NH3+])C#N)c(C)c1Br
342087875	ZINC000622702189	ref	4.39	-19.56	0	296.317	1.54	2	2	6	O=C(CCCc1ccc(F)c(F)c1)NC[C@H]1CNC(=O)C1
342087876	ZINC000046792481	ref	6.26	-18.84	0	291.282	1.833	1	4	4	Cc1cc(NC(=O)CN(C)C(=O)c2cccc(F)c2)no1
342087877	ZINC000622702231	ref	4.0	-16.78	0	296.317	1.711	2	2	5	C[C@H](CC(=O)NC[C@H]1CNC(=O)C1)c1ccc(F)cc1F
342087878	ZINC000609039191	ref	8.05	-43.87	1	299.382	1.27	1	6	4	C[NH+](C)[C@H]1CCCN(c2ncnc3c2cnn3CCC#N)C1
342087879	ZINC000033858614	ref	3.12	-10.21	0	277.367	1.37	1	5	7	CCCCOC(=O)CNS(=O)(=O)c1cccs1
342087880	ZINC000033858614	high	2.76	-43.1	-1	277.367	1.37	0	5	7	CCCCOC(=O)C[N-]S(=O)(=O)c1cccs1
214183128	ZINC000293552758	ref	2.73	-18.83	0	374.376	0.046	2	6	4	Cc1c(NC(=O)C(=O)N2CC[C@@H](C(N)=O)C2)nnn1Cc1ccccc1F
214183133	ZINC000293542851	ref	2.09	-17.6	0	352.338	0.48	1	5	4	Cn1cc(S(=O)(=O)N[C@@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)n1
214183136	ZINC000293542851	mid	1.76	-42.94	-1	352.338	0.48	0	5	4	Cn1cc(S(=O)(=O)[N-][C@@H]2CC(=O)N(C3CC3)C2)c(C(F)(F)F)n1
214183139	ZINC000293541847	ref	1.73	-44.65	1	357.476	0.887	3	4	8	CC[N@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO
214183144	ZINC000293541847	mid	1.8	-41.75	1	357.476	0.887	3	4	8	CC[N@@H+](CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO
214183149	ZINC000293541847	mid	0.02	-16.82	0	357.476	0.887	2	5	8	CCN(CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO
342087881	ZINC000600314744	ref	6.99	-40.84	1	258.431	1.976	2	2	5	CS[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+](C)C1
342087882	ZINC000600314744	mid	6.99	-40.84	1	258.431	1.976	2	2	5	CS[C@H](C)CC(=O)NC[C@H]1CCCC[N@@H+](C)C1
398248156	ZINC000645408181	ref	3.52	-6.38	0	246.376	1.603	2	3	4	CO[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCS[C@@H]1C
398248159	ZINC000062358308	ref	2.31	-10.55	0	240.328	1.52	1	4	4	O=C(c1cscn1)N1CCC[C@@H]1CCCO
398248161	ZINC000022330289	ref	6.61	-8.98	0	223.275	4.112	0	2	1	Cc1cc(C)c2oc(-c3ccccc3)nc2c1
398248164	ZINC000645409842	ref	1.12	-8.45	0	244.335	0.966	2	3	4	CC[C@@H](CNC(=O)N1C[C@@H](O)CC[C@@H]1C)OC
214183135	ZINC000053414247	ref	2.81	-26.67	0	326.36	1.207	2	6	5	CC1=NN(c2ccc(C(=O)Nc3cnn(CC(N)=O)c3)cc2)CC1
214183140	ZINC000053442542	ref	7.19	-16.72	0	341.458	2.449	0	7	6	COC(=O)CCCN(C)C(=O)c1cc2sc(N(C)C)nc2s1
214183145	ZINC000053414056	ref	1.74	-32.13	0	329.36	1.215	3	5	6	CC(C)C(=O)Nc1ccc(C(=O)Nc2cnn(CC(N)=O)c2)cc1
214183151	ZINC000053438028	ref	4.42	-4.0	0	325.172	3.033	1	2	6	CN(CCNCC(F)(F)F)Cc1ccccc1Br
214183155	ZINC000053438028	low	6.85	-36.47	1	325.172	3.033	2	1	6	C[N@H+](CCNCC(F)(F)F)Cc1ccccc1Br
214183159	ZINC000053438028	low	6.8	-37.39	1	325.172	3.033	2	1	6	C[N@@H+](CCNCC(F)(F)F)Cc1ccccc1Br
214183162	ZINC000053420488	ref	3.16	-42.63	1	332.267	1.504	2	3	5	NC(=O)CC[NH+]1CCN(Cc2ccc(Br)s2)CC1
214183166	ZINC000053420488	mid	0.75	-9.33	0	332.267	1.504	1	4	5	NC(=O)CCN1CCN(Cc2ccc(Br)s2)CC1
214183170	ZINC000053439205	ref	7.46	-13.51	0	337.464	1.942	0	3	4	CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCCN(C(=O)N2CCCC2)C1
214183190	ZINC000053433355	ref	4.67	-11.02	0	349.406	0.89	0	4	2	C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1
214183194	ZINC000053433355	low	6.73	-55.29	1	349.406	0.89	1	3	2	C[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1
214183198	ZINC000053420135	ref	4.42	-15.79	0	328.434	1.195	0	5	9	CCN(CC)C(=O)CN(C)CCS(=O)(=O)Oc1ccccc1
214183200	ZINC000053420135	low	6.69	-51.51	1	328.434	1.195	1	4	9	CCN(CC)C(=O)C[N@H+](C)CCS(=O)(=O)Oc1ccccc1
214183204	ZINC000053420135	low	6.7	-51.67	1	328.434	1.195	1	4	9	CCN(CC)C(=O)C[N@@H+](C)CCS(=O)(=O)Oc1ccccc1
214183207	ZINC000053429362	ref	7.61	-39.04	1	345.35	4.111	1	2	6	C[C@@H]1CCCC[C@H]1[NH2+]CCN(C)Cc1cc(Br)cs1
214183211	ZINC000053434171	ref	4.52	-19.28	0	330.409	3.421	2	4	5	NC(=O)c1csc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1
214183153	ZINC000293552095	ref	1.29	-18.01	0	367.471	0.986	1	5	5	C[C@H]1[C@H](C)CN1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
342087883	ZINC000622702279	ref	3.36	-12.1	0	281.356	1.105	1	5	8	CCn1ccc(CNC(=O)CCOC[C@@H]2CCCO2)n1
214183158	ZINC000293552095	low	4.21	-46.32	1	367.471	0.986	2	4	5	C[C@H]1[C@H](C)C[N@@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
214183163	ZINC000293552095	low	4.01	-45.78	1	367.471	0.986	2	4	5	C[C@H]1[C@H](C)C[N@H+]1CC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
214183167	ZINC000293555658	ref	3.12	-16.55	0	351.388	0.061	1	8	4	COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)cnc1C
365631694	ZINC000576585622	ref	8.74	-6.82	0	223.36	3.403	0	1	7	C=CCN(C)C(=O)C[C@@H](C)CCC=C(C)C
214183171	ZINC000293553871	ref	-0.94	-18.28	0	369.443	0.572	3	7	8	COc1ccc(C[C@@H](CO)CNS(=O)(=O)c2cnn(C)c2C)cc1O
365631705	ZINC000576584359	ref	5.07	-53.71	1	227.293	-0.275	2	6	2	Cc1nnc(NC(=O)[C@@H]2CSCN2)n1C
214183178	ZINC000293552411	ref	2.18	-18.35	0	356.448	0.562	1	6	3	CCn1cc([C@H]2CS(=O)(=O)CCN2C(=O)N[C@@H]2CCO[C@@H]2C)cn1
230724500	ZINC000425419498	ref	1.81	-11.7	0	316.361	2.054	2	5	6	COc1cccc([C@@H](C)NC(=O)NCc2nccc(OC)n2)c1
187168743	ZINC000125085978	high	7.15	-8.39	0	276.38	2.289	0	4	6	CCOC(=O)CC1CCN(CCc2ccccn2)CC1
214183191	ZINC000293550448	ref	8.02	-25.96	0	367.409	0.856	1	7	5	Cc1nc2cc(CNC(=O)Cn3ccc(=O)n(C)c3=O)ccc2n1C1CC1
214183197	ZINC000293550448	low	8.46	-47.11	1	367.409	0.856	1	6	5	Cc1[nH+]c2cc(CNC(=O)Cn3ccc(=O)n(C)c3=O)ccc2n1C1CC1
187168744	ZINC000125081106	ref	3.46	-11.48	0	280.372	1.148	2	4	4	C[C@H](NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1cnn(C)c1
214183202	ZINC000293543769	ref	4.07	-25.88	0	373.413	0.984	3	6	8	CCOC(=O)c1ccn(-c2cccc(CNC(=O)CCNC(=O)NC)c2)n1
214183206	ZINC000293552103	ref	0.68	-13.52	0	367.471	0.986	1	5	5	C[C@@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C
214183209	ZINC000293552103	low	3.88	-45.8	1	367.471	0.986	2	4	5	C[C@@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C
342087884	ZINC000609039417	ref	8.77	-16.76	0	292.339	1.684	0	5	3	CC(C)C(=O)N1CCCN(c2cccnc2[N+](=O)[O-])CC1
342087885	ZINC000622702210	ref	2.72	-16.13	0	250.273	1.0	2	2	3	Cc1c(F)cccc1C(=O)NC[C@@H]1CNC(=O)C1
342087886	ZINC000609039244	ref	2.7	-13.5	0	271.298	1.063	2	5	4	C[C@H]1C[C@@H]1Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O
178299955	ZINC000237153325	ref	7.16	-92.07	2	362.522	1.751	3	4	6	Cc1c(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)nnn1C1CC[NH2+]CC1
342594699	ZINC000590769855	ref	7.1	-10.18	0	261.329	1.481	2	5	2	C[C@H]1CCC[C@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1
342594700	ZINC000616962079	ref	2.47	-25.25	0	290.216	1.463	2	2	2	O=C(N[C@H]1CCNC1=O)c1cccc(C(F)(F)F)c1F
214724985	ZINC000279232669	ref	8.27	-12.92	0	300.402	3.115	1	3	6	CC(C)CCCNC(=O)[C@@H](C)n1ccc2ccccc2c1=O
342594701	ZINC000616962202	ref	3.02	-20.22	0	276.336	1.096	2	3	6	C[C@@H](CCOc1ccccc1)C(=O)N[C@H]1CCNC1=O
342594702	ZINC000616962204	ref	3.02	-20.43	0	276.336	1.096	2	3	6	C[C@@H](CCOc1ccccc1)C(=O)N[C@@H]1CCNC1=O
178299958	ZINC000237141314	ref	5.06	-47.41	1	358.435	1.798	2	4	6	COC(=O)c1cc(F)ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1
342594703	ZINC000616962278	ref	3.63	-18.16	0	276.361	1.271	2	3	2	O=C1NCC[C@H]1NC(=O)[C@@H]1CCSc2ccccc21
398248157	ZINC000390781351	high	1.56	-36.46	1	211.309	-0.053	2	2	1	C[C@H]1[C@@H](C)NCCN1C(=O)[C@H]1CCC[NH2+]1
178299960	ZINC000237141314	high	4.89	-27.65	0	358.435	1.798	1	4	6	COC(=O)c1cc(F)ccc1S(=O)(=O)[N-][C@@H](C[NH3+])C1CCCCC1
214724998	ZINC000279233573	ref	3.86	-10.42	0	300.318	1.875	2	5	3	CCn1ccnc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2
190493252	ZINC000269422141	high	4.47	-12.9	0	267.394	2.328	1	3	8	C=CCC[C@H](NCCS(C)(=O)=O)c1ccccc1
214725001	ZINC000279233180	ref	7.17	-8.1	0	318.291	3.21	0	4	4	COc1cccc(C(=O)O[C@@H]([C@@H]2CCCOC2)C(F)(F)F)c1
178299964	ZINC000237141526	ref	3.4	-69.75	1	354.41	1.655	3	3	6	COc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1N1CCNC1=O
342594704	ZINC000616962209	ref	2.61	-15.99	0	252.701	1.267	2	2	2	Cc1cc(Cl)ccc1C(=O)N[C@@H]1CCNC1=O
398248158	ZINC000069831463	ref	7.88	-4.71	0	226.323	3.619	1	2	3	Cc1cc(C)c(CNc2ccccn2)c(C)c1
342594705	ZINC000616962280	ref	3.59	-17.44	0	276.361	1.271	2	3	2	O=C1NCC[C@@H]1NC(=O)[C@H]1CCSc2ccccc21
342594706	ZINC000616962301	ref	0.49	-18.74	0	285.303	1.268	2	4	3	Cc1ccc(-c2ocnc2C(=O)N[C@H]2CCNC2=O)cc1
178299966	ZINC000237141526	high	2.95	-20.04	0	354.41	1.655	3	4	6	COc1ccc(C(=O)NC[C@@H](N)c2ccccc2)cc1N1CCNC1=O
214725013	ZINC000279233994	ref	6.11	-41.36	1	323.824	2.125	3	2	4	C[C@H]1C[C@@H](C(=O)NCC(=O)Nc2ccc(Cl)cc2)CC[N@@H+]1C
342594707	ZINC000590769245	ref	7.54	-12.46	0	275.337	1.767	1	6	3	CN(Cc1ccsc1)c1nc2c(cnn2C)c(=O)[nH]1
365631701	ZINC000122757283	mid	6.83	-27.28	1	254.337	2.389	1	3	2	CNc1cc(N2CCc3ccccc3C2)[nH+]c(C)n1
342594708	ZINC000616962279	ref	3.63	-17.53	0	276.361	1.271	2	3	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCSc2ccccc21
365631710	ZINC000122757283	high	6.22	-7.48	0	254.337	2.389	1	4	2	CNc1cc(N2CCc3ccccc3C2)nc(C)n1
365631721	ZINC000122698493	ref	6.31	-40.73	1	278.4	2.043	1	4	4	COc1cc(N2CC[NH+](CCC(C)(C)C)CC2)ncn1
365631731	ZINC000122698493	high	4.05	-4.3	0	278.4	2.043	0	5	4	COc1cc(N2CCN(CCC(C)(C)C)CC2)ncn1
365631740	ZINC000122699504	ref	4.45	-7.25	0	287.367	2.302	0	6	4	CC(C)Oc1cncc(N2CCC(n3cccn3)CC2)n1
230724513	ZINC000414274804	ref	4.82	-19.16	0	319.373	3.021	1	3	6	CC(C)(C)C[S@](=O)CC(=O)Nc1ccccc1OC(F)F
365631760	ZINC000122790824	ref	5.64	-14.75	0	281.315	2.197	2	3	3	C[C@@H](CC#N)NC(=O)C(=O)Nc1cccc2ccccc12
365631779	ZINC000122791020	ref	5.64	-14.79	0	281.315	2.197	2	3	3	C[C@H](CC#N)NC(=O)C(=O)Nc1cccc2ccccc12
230724519	ZINC000414275572	ref	4.37	-16.17	0	302.44	3.098	0	5	7	CC(C)CO[C@H](C)c1noc(C[S@@](=O)CC(C)(C)C)n1
365631793	ZINC000122684904	ref	6.32	-6.69	0	262.353	2.274	0	4	3	COC(=O)[C@H](c1cccnc1)N1CC[C@H](C)[C@@H](C)C1
365631803	ZINC000122684904	low	8.19	-33.18	1	262.353	2.274	1	3	3	COC(=O)[C@H](c1cccnc1)[N@@H+]1CC[C@H](C)[C@@H](C)C1
342594709	ZINC000590769338	ref	7.53	-10.16	0	261.329	1.695	1	5	1	Cn1ncc2c(=O)[nH]c(N3CCC(C)(C)CC3)nc21
365631809	ZINC000122684904	low	8.29	-34.54	1	262.353	2.274	1	3	3	COC(=O)[C@H](c1cccnc1)[N@H+]1CC[C@H](C)[C@@H](C)C1
230724527	ZINC000414275577	ref	4.37	-16.11	0	302.44	3.098	0	5	7	CC(C)CO[C@@H](C)c1noc(C[S@](=O)CC(C)(C)C)n1
365631816	ZINC000122787011	ref	6.49	-46.73	1	280.347	2.217	3	2	5	C[N@H+](CCNC(=O)Nc1ccc(F)cn1)C1CCCC1
230724532	ZINC000414276374	ref	5.56	-22.47	0	307.337	3.193	1	2	6	CCCC[S@@](=O)CC(=O)Nc1cccc(C(F)(F)F)c1
342594710	ZINC000590769785	ref	6.89	-15.38	0	297.362	1.784	2	6	4	C[C@@H](Nc1ccc2nnc(-c3ccccc3)n2n1)C(C)(C)O
230724534	ZINC000414276888	ref	7.55	-16.66	0	309.475	3.221	1	2	6	CCc1ccc([C@H](C)NC(=O)C[S@@](=O)CC(C)(C)C)cc1
197591254	ZINC000162775241	ref	5.76	-3.01	0	305.603	3.477	1	3	3	C[C@H](Nc1ncc(Cl)cc1Br)[C@H]1CCCO1
365631834	ZINC000122787011	mid	6.5	-46.62	1	280.347	2.217	3	2	5	C[N@@H+](CCNC(=O)Nc1ccc(F)cn1)C1CCCC1
365639063	ZINC000274368706	mid	2.26	-11.68	0	295.335	1.529	2	6	7	COC(=O)C1=C(C)O[C@@H](CN[C@@H](CCO)c2ccco2)C1
349534353	ZINC000602429764	mid	7.08	-41.38	1	224.304	2.032	2	2	5	CCOC(=O)c1ccc(C[N@@H+](C)C(C)C)[nH]1
282121917	ZINC000263023639	ref	8.52	-36.2	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1)C(=O)[O-]
214183176	ZINC000337619998	ref	0.66	-12.96	0	285.344	-0.081	1	6	9	COCCn1cc(C(=O)N(C)CCOCCO)c(C)n1
214183179	ZINC000337615351	ref	5.58	-9.49	0	263.381	2.459	2	2	8	CCc1cccc(CC(=O)NCCC[C@@H](O)CC)c1
342594711	ZINC000590770278	ref	4.89	-8.29	0	263.272	1.018	1	5	3	Fc1cccc2ncnc(NC[C@@H]3COCCO3)c12
342594712	ZINC000616962177	ref	3.16	-16.46	0	266.728	1.448	2	2	3	C[C@@H](C(=O)N[C@H]1CCNC1=O)c1cccc(Cl)c1
349534356	ZINC000602429764	high	4.78	-5.76	0	224.304	2.032	1	3	5	CCOC(=O)c1ccc(CN(C)C(C)C)[nH]1
342594713	ZINC000616962119	ref	1.98	-23.77	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1cccc(Cl)c1F
342594714	ZINC000590769617	ref	6.6	-10.19	0	277.328	1.074	1	6	3	CCO[C@H]1CCCN(c2nc3c(cnn3C)c(=O)[nH]2)C1
342594715	ZINC000590769416	ref	7.49	-10.65	0	275.356	1.729	2	5	3	C[C@H]1CCC[C@@H](CNc2nc3c(cnn3C)c(=O)[nH]2)C1
178299957	ZINC000360433146	ref	2.6	-14.73	0	241.254	1.847	3	3	2	Cc1cc2n[nH]cc2cc1NC(=O)c1cc[nH]n1
178299962	ZINC000360433146	mid	2.49	-12.61	0	241.254	1.847	3	3	2	Cc1cc2[nH]ncc2cc1NC(=O)c1cc[nH]n1
398248160	ZINC000069831463	low	8.36	-29.35	1	226.323	3.619	1	1	3	Cc1cc(C)c(CNc2cccc[nH+]2)c(C)c1
185087438	ZINC000096070833	ref	7.13	-54.56	1	289.379	1.152	1	3	5	CCOCC(=O)N1CC2(CC[N@H+](Cc3ccncc3)C2)C1
185087440	ZINC000096070833	mid	7.19	-56.66	1	289.379	1.152	1	3	5	CCOCC(=O)N1CC2(CC[N@@H+](Cc3ccncc3)C2)C1
185087441	ZINC000096070833	mid	4.73	-15.16	0	289.379	1.152	0	4	5	CCOCC(=O)N1CC2(CCN(Cc3ccncc3)C2)C1
349534358	ZINC000602430114	ref	6.99	-34.89	1	241.331	1.583	1	3	5	COC(=O)[C@H]1CCCC[N@@H+]1CCC[C@@H]1CCO1
185087443	ZINC000096070661	ref	4.18	-8.41	0	261.325	1.425	0	4	1	Cc1cnc(C(=O)N2CC[C@H]3C[C@@H](C)O[C@@H]3C2)cn1
214183181	ZINC000337619372	ref	2.0	-8.6	0	262.24	2.187	2	4	3	COc1cc(NC(=O)c2ccc(F)cn2)ccc1O
214183185	ZINC000337617918	ref	2.29	-9.37	0	259.346	0.801	1	4	8	C[C@H]1CC[C@@H](CCC(=O)N(C)CCOCCO)O1
214183187	ZINC000337615709	ref	4.68	-11.49	0	265.357	2.448	2	2	5	CCCC[C@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[nH][nH]1
214183189	ZINC000337615709	high	4.56	-39.28	-1	265.357	2.448	1	2	5	CCCC[C@H](C)C(=O)N=c1cc([C@@H]2CCCO2)[n-][nH]1
214183192	ZINC000337616930	ref	8.6	-41.3	1	260.381	3.137	2	1	5	CC[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2)C1
365631702	ZINC000274350156	ref	4.9	-6.36	0	264.329	1.308	1	4	4	CCN(C(=O)C(=O)Nc1cncnc1)[C@@H](C)C(C)C
214183177	ZINC000278484176	ref	6.56	-7.71	0	323.824	2.49	1	4	3	C[C@@H]1COCC[C@@H]1NC(=O)c1cc(Cl)nc(N2CCCC2)c1
342087887	ZINC000033900443	ref	3.5	-9.06	0	293.363	1.373	2	4	6	Cc1ccc(CNC(=O)[C@@H](CCO)C2(C)OCCO2)cc1
342087888	ZINC000609039188	ref	6.62	-49.73	1	287.371	1.54	2	6	6	CC(C)(C)[NH2+]CCNc1ncnc2c1cnn2CCC#N
342087889	ZINC000127104848	ref	2.87	-40.34	1	254.374	1.032	1	3	5	C[C@H]([NH2+]CC1=CCCOC1)[C@@H](C)N1CCOCC1
342087890	ZINC000622702192	ref	1.14	-12.4	0	267.354	1.132	2	4	4	CC(C)c1scnc1C(=O)NC[C@H]1CNC(=O)C1
342087891	ZINC000622702228	ref	4.0	-16.61	0	296.317	1.711	2	2	5	C[C@H](CC(=O)NC[C@@H]1CNC(=O)C1)c1ccc(F)cc1F
342087892	ZINC000609039275	ref	7.94	-14.7	0	261.285	1.04	1	7	3	COC(=O)c1nc2nc(C)cc(N[C@H]3C[C@@H]3C)n2n1
342087893	ZINC000046786978	ref	4.57	-16.49	0	279.336	1.235	1	4	8	O=C(COCCOc1ccccc1)NC[C@@H]1CCOC1
214183180	ZINC000278483871	ref	2.66	-13.81	0	308.304	2.197	2	4	6	CC[C@H](C)[C@@H](NC(=O)NCCc1nc(C)no1)C(F)(F)F
342087894	ZINC000622702227	ref	2.11	-12.55	0	261.325	1.071	2	3	4	CC(C)c1cccc(C(=O)NC[C@H]2CNC(=O)C2)n1
342087895	ZINC000609040248	ref	4.19	-12.61	0	252.277	1.616	0	5	3	N#Cc1nccnc1N1CC(Oc2ccccc2)C1
342087896	ZINC000622702240	ref	3.36	-15.18	0	261.329	1.102	2	4	5	CCn1ccc(CNC(=O)Cc2c(C)n[nH]c2C)n1
349534355	ZINC000594967487	ref	5.8	-47.29	1	257.443	2.844	1	1	3	CC1CCC([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CC1
342087897	ZINC000622702242	ref	2.41	-16.31	0	272.757	1.196	2	3	4	O=C(Cc1ccc(Cl)s1)NC[C@@H]1CNC(=O)C1
342087898	ZINC000609039488	ref	6.88	-17.49	0	290.323	1.386	0	7	5	CCn1c(C)cc(C(=O)Cn2cc(C(=O)OC)nn2)c1C
342087899	ZINC000600314730	ref	7.18	-39.05	1	263.385	1.774	2	2	3	CC1CC(C#N)(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)C1
342087900	ZINC000600314730	mid	7.36	-39.71	1	263.385	1.774	2	2	3	CC1CC(C#N)(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)C1
342087901	ZINC000622702273	ref	3.98	-15.72	0	278.327	1.572	2	2	5	C[C@H](CC(=O)NC[C@H]1CNC(=O)C1)c1cccc(F)c1
342087902	ZINC000600314728	ref	7.36	-40.35	1	263.385	1.774	2	2	3	CC1CC(C#N)(C(=O)NC[C@H]2CCCC[N@H+](C)C2)C1
342087903	ZINC000600314728	mid	7.29	-41.58	1	263.385	1.774	2	2	3	CC1CC(C#N)(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)C1
342087904	ZINC000121107770	ref	5.98	-14.78	0	278.352	1.876	0	4	6	CCO[C@@H](CC)C(=O)N1CC[C@@H](Oc2ccncc2)C1
365631717	ZINC000274350936	ref	4.6	-43.9	1	271.357	1.747	1	4	12	COCCOCCOCCC[NH2+]Cc1ccc(C)o1
342087905	ZINC000121107770	low	6.43	-47.35	1	278.352	1.876	0	3	6	CCO[C@@H](CC)C(=O)N1CC[C@@H](Oc2cc[nH+]cc2)C1
342087906	ZINC000622702203	ref	1.09	-14.44	0	267.354	1.132	2	4	4	CC(C)c1ncsc1C(=O)NC[C@H]1CNC(=O)C1
214183183	ZINC000278483576	ref	9.76	-55.42	1	306.479	2.351	1	4	5	CCc1cc(N2CCC[C@@H]([NH2+]C[C@H]3CCSC3)C2)ncn1
349534357	ZINC000594968312	ref	6.05	-50.52	1	290.432	2.947	2	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc3[nH]ccc3c2)C1
398248162	ZINC000313443056	ref	6.74	-13.59	0	214.268	2.491	1	2	3	CC1(C(=O)Nc2cccc(CC#N)c2)CC1
212165453	ZINC000335488269	ref	8.52	-34.04	1	262.397	2.119	1	1	1	C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1
212165457	ZINC000335488269	mid	8.54	-35.93	1	262.397	2.119	1	1	1	C[N@H+]1C[C@@H]2CCCN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1
214183188	ZINC000278484189	ref	2.12	-8.8	0	310.341	2.89	2	4	5	CCC[C@@](C)(O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1
214183199	ZINC000278483543	ref	7.93	-56.49	1	307.467	1.83	2	5	6	CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H]2CCSC2)ncn1
214183203	ZINC000278483543	low	8.4	-103.92	2	307.467	1.83	2	4	6	CNc1cc(N2CCC[C@H]2C[NH2+]C[C@@H]2CCSC2)nc[nH+]1
214183208	ZINC000278483596	ref	4.27	-15.74	0	315.46	2.275	1	5	7	CS(=O)(=O)CCOc1cccc(NC[C@H]2CCSC2)c1
214183212	ZINC000278484009	ref	5.59	-13.67	0	322.405	2.581	1	4	6	COCCO[C@H]1CCN(C(=O)Nc2cc(C)c(OC)cc2C)C1
214183217	ZINC000278484200	ref	5.18	-10.86	0	324.384	2.422	2	5	5	CC(C)N(C)c1ccc(CNc2ccc3c(c2)C(=O)NC3=O)cn1
214183221	ZINC000278484200	low	5.62	-41.32	1	324.384	2.422	2	4	5	CC(C)N(C)c1ccc(CNc2ccc3c(c2)C(=O)NC3=O)c[nH+]1
214183223	ZINC000278484200	high	3.37	-48.39	-1	324.384	2.422	1	5	5	CC(C)N(C)c1ccc(CNc2ccc3c(c2)C(=O)[N-]C3=O)cn1
214183227	ZINC000278484394	ref	6.17	-7.79	0	314.288	2.228	1	4	4	C[C@H]1COCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1
214183233	ZINC000278483051	ref	7.95	-40.15	1	302.418	2.747	2	2	5	COc1ccc([C@@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1
214183236	ZINC000278483051	high	5.99	-8.41	0	302.418	2.747	1	3	5	COc1ccc([C@@H](C)NC(=O)C2CCN(C3CC3)CC2)cc1
214183240	ZINC000278483574	ref	9.74	-55.63	1	306.479	2.351	1	4	5	CCc1cc(N2CCC[C@H]([NH2+]C[C@H]3CCSC3)C2)ncn1
214183244	ZINC000278484059	ref	7.74	-15.19	0	303.309	3.111	0	5	5	Cn1c(SCOCC(F)(F)F)nnc1-c1ccccc1
214183249	ZINC000278483476	ref	8.15	-23.26	0	302.378	1.24	0	5	2	C[C@@H]1C[C@@H](C)CN(C(=O)Cn2ccc(=O)c3cnn(C)c32)C1
214183195	ZINC000337616930	mid	8.56	-40.75	1	260.381	3.137	2	1	5	CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)C1
214183196	ZINC000337615384	ref	1.06	-12.14	0	297.311	0.31	3	5	6	CCNC(=O)CNC(=O)NCc1cc(C(=O)OC)c(C)o1
214183201	ZINC000337619292	ref	6.32	-9.57	0	283.343	2.445	1	3	8	CC[C@@H](C)OCC(=O)N[C@H](COC)c1ccc(F)cc1
342594716	ZINC000590769974	ref	7.9	-10.49	0	261.329	1.695	1	5	2	CCC1CCN(c2nc3c(cnn3C)c(=O)[nH]2)CC1
342594717	ZINC000590769984	ref	7.16	-12.91	0	289.364	1.595	2	6	4	C[C@@H](Cc1ccsc1)Nc1nc2c(cnn2C)c(=O)[nH]1
342594718	ZINC000590770238	ref	5.45	-8.73	0	259.309	1.187	1	5	3	Cc1ccc2ncnc(NC[C@H]3COCCO3)c2c1
214183205	ZINC000337617613	ref	3.09	-19.56	0	284.385	0.348	2	4	5	CCSCCCNC(=O)C(=O)N=c1cc(C)n(C)[nH]1
214183210	ZINC000337617759	ref	8.41	-9.02	0	297.402	3.023	1	3	6	CC[C@H]1C[C@@]1(NC(=O)CCn1cccn1)c1cccc(C)c1
214183214	ZINC000337618675	ref	6.86	-9.36	0	273.38	2.338	1	3	4	C[C@H]1CC[C@@H](C)N1C(=O)c1ccc(NCC2CC2)nc1
230724507	ZINC000425419497	ref	4.84	-41.62	1	300.353	2.315	1	4	5	FC(F)c1noc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)n1
342594719	ZINC000590769515	ref	6.22	-14.19	0	295.35	1.496	0	7	2	Cc1nc2n(c1C)CCN(c1cncc(-n3cccn3)n1)C2
342594720	ZINC000590769515	low	6.64	-34.37	1	295.35	1.496	0	6	2	Cc1[nH+]c2n(c1C)CCN(c1cncc(-n3cccn3)n1)C2
365631708	ZINC000617411591	mid	4.01	-47.55	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCC[N@@H+](C)C1
349534359	ZINC000602430114	mid	6.51	-32.35	1	241.331	1.583	1	3	5	COC(=O)[C@H]1CCCC[N@H+]1CCC[C@@H]1CCO1
214183216	ZINC000337615651	ref	-0.18	-15.91	0	292.339	0.412	4	4	7	COC[C@H](O)CNC(=O)NCCc1c[nH]c2ncccc12
214183219	ZINC000337618350	ref	1.93	-8.99	0	288.178	2.132	1	3	4	Cc1ncc(C(=O)NCCN2CCC2)c(Cl)c1Cl
214183222	ZINC000337618350	mid	5.12	-44.35	1	288.178	2.132	2	2	4	Cc1ncc(C(=O)NCC[NH+]2CCC2)c(Cl)c1Cl
214183226	ZINC000337617921	ref	3.01	-13.32	0	291.307	0.817	1	6	7	CN(CCOCCO)C(=O)c1cc(-c2ccncc2)on1
214183228	ZINC000337616980	ref	8.74	-12.78	0	299.37	3.299	1	3	4	C[C@H]1C[C@@H](C)O[C@H]1C(=O)N[C@@H](c1ccccc1)c1ccco1
214183232	ZINC000337618362	ref	6.39	-8.16	0	289.354	3.238	2	2	5	CCc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)[nH]n1
214183237	ZINC000337616288	ref	3.3	-9.79	0	287.31	2.307	2	3	4	Cc1[nH]nc(C(=O)N[C@H]2CCCC[C@@H]2OC(F)F)c1C
214183239	ZINC000337616288	mid	3.32	-8.48	0	287.31	2.307	2	3	4	Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@@H]2OC(F)F)c1C
214724984	ZINC000338693561	ref	3.19	-9.42	0	282.384	0.88	0	4	5	O=C(CCCCN1CCOCC1)N1CCOCC12CC2
192339494	ZINC000273862560	ref	5.97	-15.09	0	296.33	2.334	0	5	2	CC(=O)N1CCC[C@H](c2noc(-c3cccc(C#N)c3)n2)C1
178299969	ZINC000237138836	ref	4.44	-15.85	0	356.264	1.651	2	2	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)C(C)(C)[NH3+]
192339498	ZINC000273863570	ref	2.29	-7.55	0	253.277	1.91	2	3	2	C[C@H]1C[C@@H](NC(=O)Nc2ccncc2F)CCO1
192339501	ZINC000273864940	ref	7.05	-6.87	0	278.352	2.485	1	5	5	CCOC(=O)c1cccnc1NC[C@@H]1CCO[C@H](C)C1
192339503	ZINC000273862178	ref	5.69	-12.76	0	297.362	2.305	0	6	4	Cc1ccc(Cc2noc(Cc3c(C)nn(C)c3C)n2)cn1
192339505	ZINC000273862178	low	6.12	-36.32	1	297.362	2.305	0	5	4	Cc1ccc(Cc2noc(Cc3c(C)nn(C)c3C)n2)c[nH+]1
192339508	ZINC000273864819	ref	5.49	-10.71	0	294.376	3.065	0	6	7	c1coc(CSCc2noc(CC[C@H]3CCOC3)n2)c1
192339511	ZINC000273864486	ref	7.41	-8.15	0	295.39	3.024	1	5	4	Cc1cc(N(C)C)cc(C)c1NCc1cnc2cnccn12
365631711	ZINC000336549725	mid	6.09	-43.97	1	288.391	2.021	2	2	2	C[N@H+]1CCCC12CCN(C(=O)Cc1cccc(O)c1)CC2
192339514	ZINC000273864486	mid	8.18	-38.44	1	295.39	3.024	2	4	4	Cc1cc([NH+](C)C)cc(C)c1NCc1cnc2cnccn12
342087907	ZINC000609039243	ref	2.64	-13.87	0	271.298	1.063	2	5	4	C[C@@H]1C[C@@H]1Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O
178299970	ZINC000237138836	high	4.44	-15.85	0	356.264	1.651	2	3	6	CN(Cc1ccccc1Br)C(=O)CCNC(=O)C(C)(C)N
178299972	ZINC000237151407	ref	3.93	-49.75	1	360.458	1.862	3	3	6	COc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1N1CCNC1=O
178299975	ZINC000237138405	ref	3.82	-15.19	0	372.263	1.39	2	3	8	COCC[NH2+]CC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C
178299977	ZINC000237138405	mid	3.82	-15.19	0	372.263	1.39	2	4	8	COCCNCC(=O)N(C)CC(=O)Nc1ccc(Br)cc1C
192339519	ZINC000273861786	ref	5.06	-14.05	0	287.385	2.515	0	6	7	CCS[C@H](C)c1noc(CCCN(C)C(=O)OC)n1
178299979	ZINC000237148973	ref	3.4	-69.39	1	352.378	1.426	1	3	6	CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H]([NH3+])CCS(C)(=O)=O
343993682	ZINC000079911427	ref	4.3	-10.74	0	294.395	2.396	2	4	7	CC[C@H](C)[C@@](C)(O)CNC(=O)c1ncccc1OC(C)C
192339522	ZINC000273864541	ref	4.56	-5.97	0	259.309	2.873	0	5	6	CCCc1nc(-c2ccc(OCC3CC3)nc2)no1
192339524	ZINC000273864399	ref	5.2	-9.79	0	273.336	2.94	0	5	4	Cc1ccnc(-c2noc(CC[C@H]3CC[C@@H](C)O3)n2)c1
214183213	ZINC000293552103	low	4.18	-47.16	1	367.471	0.986	2	4	5	C[C@@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@@H]1C
214183218	ZINC000293546026	ref	2.52	-21.7	0	372.425	0.428	3	5	4	O=C([C@@H](O)[C@H](O)c1nc2ccccc2[nH]1)N1CC[C@@H](C(=O)N2CCCC2)C1
214183224	ZINC000293546911	ref	0.54	-13.53	0	365.333	0.192	2	4	3	CS(=O)(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)C1
349534360	ZINC000594967444	ref	6.31	-56.9	1	287.375	2.744	1	1	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2F)C1
214183229	ZINC000293540272	ref	6.69	-10.01	0	356.382	0.893	2	6	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@H]1C[C@H]1Cc1ccccc1
349534362	ZINC000594967444	high	5.51	-13.32	0	287.375	2.744	1	2	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(F)cc2F)C1
342594721	ZINC000590769975	ref	7.75	-10.29	0	275.356	1.871	2	5	3	CCC1CCC(Nc2nc3c(cnn3C)c(=O)[nH]2)CC1
214183234	ZINC000293544912	ref	3.15	-12.25	0	358.391	0.82	1	5	4	CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F
214183241	ZINC000293540275	ref	6.55	-10.24	0	356.382	0.893	2	6	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1
214183245	ZINC000293543639	ref	5.01	-22.12	0	366.443	0.863	1	6	5	CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C)c2nccn2c1
214183248	ZINC000293543639	mid	5.5	-40.73	1	366.443	0.863	1	5	5	CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1
214183252	ZINC000293544486	ref	4.29	-17.63	0	366.369	0.717	1	7	5	CN(C)c1ncc(CNS(=O)(=O)c2cn(C)nc2C(F)(F)F)n1C
214183257	ZINC000293544486	mid	4.75	-38.31	1	366.369	0.717	1	6	5	CN(C)c1[nH+]cc(CNS(=O)(=O)c2cn(C)nc2C(F)(F)F)n1C
214183260	ZINC000293544486	high	3.85	-48.61	-1	366.369	0.717	0	7	5	CN(C)c1ncc(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)n1C
214183264	ZINC000293549096	ref	3.01	-20.26	0	352.135	0.873	2	4	4	O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCC1CC(F)(F)C1
214183273	ZINC000293549096	high	1.16	-54.56	-1	352.135	0.873	1	4	4	O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCC1CC(F)(F)C1
214183278	ZINC000293546042	ref	1.79	-21.18	0	372.425	0.428	3	5	4	O=C([C@@H](O)[C@@H](O)c1nc2ccccc2[nH]1)N1CC[C@@H](C(=O)N2CCCC2)C1
214183281	ZINC000293545116	ref	2.37	-26.77	0	361.442	0.986	2	5	10	COc1cccc(C(=O)CCCC(=O)NCCCN2CCNC(=O)C2)c1
214183287	ZINC000293549826	ref	1.92	-21.3	0	367.427	0.412	1	5	4	CCOC1CN(C(=O)C(=O)Nc2ccc(N3CCCS3(=O)=O)cc2)C1
342594722	ZINC000590769415	ref	7.25	-10.65	0	275.356	1.729	2	5	3	C[C@H]1CCC[C@H](CNc2nc3c(cnn3C)c(=O)[nH]2)C1
342594723	ZINC000590769361	ref	6.34	-13.4	0	297.318	1.038	2	6	3	Cn1ncc2c(=O)[nH]c(NCc3ccc4c(c3)CCO4)nc21
365631712	ZINC000617411591	mid	1.13	-11.09	0	279.34	0.608	2	4	4	C[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCCN(C)C1
365631723	ZINC000617411560	ref	3.72	-43.35	1	255.362	0.358	3	2	4	CC(=O)N[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)C(C)C
365631732	ZINC000617411560	mid	4.17	-44.67	1	255.362	0.358	3	2	4	CC(=O)N[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)C(C)C
365631739	ZINC000617411560	mid	1.37	-8.17	0	255.362	0.358	2	3	4	CC(=O)N[C@H](C(=O)N[C@@H]1CCCN(C)C1)C(C)C
197591266	ZINC000290089679	ref	3.87	-10.12	0	262.313	2.052	0	6	4	CO[C@H](c1cnn(C)c1)c1nc([C@H]2CC2(C)C)no1
365631747	ZINC000617413366	ref	5.79	-52.32	1	250.346	0.71	2	3	3	Cc1cc(C)n(CC(=O)N[C@@H]2CCC[N@@H+](C)C2)n1
365631756	ZINC000617413366	mid	5.26	-50.07	1	250.346	0.71	2	3	3	Cc1cc(C)n(CC(=O)N[C@@H]2CCC[N@H+](C)C2)n1
365631758	ZINC000617413366	high	2.9	-15.01	0	250.346	0.71	1	4	3	Cc1cc(C)n(CC(=O)N[C@@H]2CCCN(C)C2)n1
342594724	ZINC000616962112	ref	2.61	-15.9	0	297.152	1.376	2	2	2	Cc1ccc(C(=O)N[C@H]2CCNC2=O)cc1Br
365631763	ZINC000617413263	ref	5.19	-42.24	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1
365631766	ZINC000617413263	mid	5.71	-42.37	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1
365631773	ZINC000617413263	high	2.82	-11.32	0	267.373	0.455	1	3	2	CC(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(C)C2)C1
365631783	ZINC000617414176	ref	4.92	-47.53	1	253.346	0.065	2	2	2	CN1CC[C@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC1=O
230724533	ZINC000425420241	ref	7.41	-42.61	1	317.433	2.225	3	2	7	C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1
230724535	ZINC000425420241	high	4.89	-9.23	0	317.433	2.225	2	3	7	CN(C)CCOc1ccc(CNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)cc1
365631796	ZINC000617414176	mid	4.39	-45.76	1	253.346	0.065	2	2	2	CN1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1=O
365631801	ZINC000617414176	high	2.02	-11.54	0	253.346	0.065	1	3	2	CN1CCC[C@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1
342594725	ZINC000364810666	ref	2.71	-18.56	0	260.228	1.406	1	5	4	N#CCC(=O)NCc1nc(-c2cccc(F)c2)no1
199272987	ZINC000294964216	ref	3.24	-47.1	1	291.326	2.181	1	4	7	COc1nccc(C[NH2+]C[C@@H](C)Oc2ccccc2F)n1
365631813	ZINC000617413075	ref	4.87	-43.51	1	281.4	0.893	3	2	4	C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)C2CCCCC2)C1
365631820	ZINC000617413075	mid	5.41	-44.47	1	281.4	0.893	3	2	4	C[N@H+]1CCC[C@H](NC(=O)CNC(=O)C2CCCCC2)C1
365631824	ZINC000617413075	high	2.52	-8.45	0	281.4	0.893	2	3	4	CN1CCC[C@H](NC(=O)CNC(=O)C2CCCCC2)C1
214183215	ZINC000053442812	ref	6.09	-10.78	0	341.367	3.057	0	7	6	COC(=O)c1cc(CN(C)Cc2noc(-c3ccccc3)n2)oc1C
214183220	ZINC000053411287	ref	10.77	-18.99	0	340.452	3.042	1	5	7	C[C@@H](C(=O)NCCSCc1cccc2ccccc12)n1cncn1
214183225	ZINC000053435094	ref	7.56	-42.65	1	327.266	3.36	2	2	4	C[C@@H]1C[N@H+](CCNc2cccc(Br)c2)CC(C)(C)O1
214183230	ZINC000053435094	mid	7.61	-42.81	1	327.266	3.36	2	2	4	C[C@@H]1C[N@@H+](CCNc2cccc(Br)c2)CC(C)(C)O1
214183231	ZINC000053435094	mid	5.27	-3.59	0	327.266	3.36	1	3	4	C[C@@H]1CN(CCNc2cccc(Br)c2)CC(C)(C)O1
214183235	ZINC000053444465	ref	2.97	-25.1	0	346.408	2.657	2	5	6	NC(=O)c1csc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)c1
214183238	ZINC000053417849	ref	2.54	-21.25	0	342.355	1.566	3	4	5	C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cccc(N2CCNC2=O)c1
214183243	ZINC000053411173	ref	8.15	-17.56	0	333.453	2.852	1	4	10	COCCOCC(=O)NCCSCc1cccc2ccccc12
214183247	ZINC000053441266	ref	4.66	-9.91	0	338.411	3.208	0	6	5	C[C@H](c1nc(-c2ccccc2)no1)N1CCN(Cc2ccco2)CC1
342594726	ZINC000590769854	ref	6.81	-10.41	0	261.329	1.481	2	5	2	C[C@H]1CCC[C@@H](Nc2nc3c(cnn3C)c(=O)[nH]2)C1
214183251	ZINC000053441266	low	6.92	-43.86	1	338.411	3.208	1	5	5	C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccco2)CC1
214183258	ZINC000053420082	ref	2.8	-4.75	0	346.924	2.695	1	5	6	CC(C)(C)OC[C@@H](O)CN1CCN(Cc2ccc(Cl)s2)CC1
214183262	ZINC000053420082	mid	5.16	-38.6	1	346.924	2.695	2	4	6	CC(C)(C)OC[C@@H](O)C[NH+]1CCN(Cc2ccc(Cl)s2)CC1
214183265	ZINC000053437338	ref	7.4	-26.44	0	346.427	2.445	1	4	6	CCN(C[C@@H]1CCCO1)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1
214183268	ZINC000053434692	ref	-0.95	-63.28	-1	348.265	1.877	2	5	4	O=C(Nc1cccc(OC(F)F)c1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
214183272	ZINC000053434692	low	0.87	-24.28	0	348.265	1.877	3	5	4	O=C(Nc1cccc(OC(F)F)c1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
214183276	ZINC000053432581	ref	4.93	-38.24	1	336.461	1.995	1	6	8	COCC[NH+]1CCN(CCCc2nc(-c3cccs3)no2)CC1
214183280	ZINC000053432581	mid	2.63	-8.88	0	336.461	1.995	0	7	8	COCCN1CCN(CCCc2nc(-c3cccs3)no2)CC1
214183285	ZINC000053432581	mid	4.9	-43.39	1	336.461	1.995	1	6	8	COCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1
342594727	ZINC000616962243	ref	2.8	-22.23	0	271.32	1.024	3	2	3	Cc1cccc2c(CC(=O)N[C@H]3CCNC3=O)c[nH]c12
365631714	ZINC000623061426	ref	3.46	-58.85	1	300.362	1.123	2	3	2	CC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[C@H]1[NH3+]
230724540	ZINC000414275116	ref	8.09	-19.79	0	309.475	3.09	1	2	6	C[C@H](CNC(=O)[C@@H](C)[S@](=O)CC(C)(C)C)c1ccccc1
365631722	ZINC000623061426	mid	2.42	-81.03	0	300.362	1.123	1	3	2	CC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC[C@H]1[NH3+]
365631733	ZINC000623062727	ref	5.49	-48.0	1	319.796	1.617	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@@]1(C)CC[NH2+]C1
230724547	ZINC000414276426	ref	6.23	-17.78	0	322.739	3.4	0	3	3	Cn1ncc(C[S@@](=O)c2ccccc2Cl)c1C(F)(F)F
230724549	ZINC000414277877	ref	6.11	-26.48	0	318.229	3.474	0	4	4	CC(C)n1cc(C[S@@](=O)c2ccc(Cl)cc2Cl)nn1
365631741	ZINC000623063548	ref	2.69	-58.17	1	301.35	1.938	2	4	3	C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
365631748	ZINC000623062616	ref	1.6	-62.88	1	311.407	1.434	2	3	2	C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
178299973	ZINC000007089625	ref	7.75	-10.29	0	249.317	3.745	1	2	2	Cc1cc2nc(/C=C/c3ccncc3)[nH]c2cc1C
178299980	ZINC000007089625	low	8.17	-33.0	1	249.317	3.745	1	1	2	Cc1cc2[nH]c(/C=C/c3ccncc3)[nH+]c2cc1C
365631752	ZINC000623061636	ref	5.14	-66.11	1	315.381	1.314	2	5	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@H]([NH3+])C[C@H]1C
365631753	ZINC000623061621	ref	2.75	-46.85	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)no1
398248163	ZINC000395035947	ref	7.6	-38.8	1	219.328	3.141	1	1	7	C/C=C\C[NH2+]Cc1cccc(OCCC)c1
365631754	ZINC000623062497	ref	4.18	-52.71	1	307.373	1.503	3	3	4	O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)Nc1cccnc1N1CCCC1
365631757	ZINC000623062497	high	2.76	-10.61	0	307.373	1.503	3	4	4	O=C(NC[C@@H]1C[C@H](F)CN1)Nc1cccnc1N1CCCC1
365631764	ZINC000623061655	ref	5.63	-51.23	1	314.433	1.144	1	2	1	O=C(N1CCN([C@H]2CC[NH2+]C2)CC1)N1CCc2ccccc2C1
365631769	ZINC000623062711	ref	6.28	-49.26	1	319.796	1.699	1	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCC[C@H]1C[NH3+]
230724568	ZINC000414277579	ref	8.01	-17.33	0	321.486	3.291	1	2	7	CCCC[S@@](=O)CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2
365631780	ZINC000623063475	ref	3.0	-54.75	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC
178299989	ZINC000359802996	ref	5.7	-8.35	0	243.335	3.545	2	3	3	Cc1cc2n[nH]cc2cc1NCc1cccs1
365631795	ZINC000623062965	ref	4.96	-23.33	0	303.346	1.858	0	3	7	CCN(CCC(F)(F)F)C(=O)CS(=O)(=O)CC(C)C
342594728	ZINC000590769336	ref	5.02	-11.91	0	290.352	1.429	2	7	3	Cc1csc([C@@H](C)Nc2nc3c(cnn3C)c(=O)[nH]2)n1
230724548	ZINC000425418325	ref	4.03	-15.62	0	315.377	2.033	2	5	7	C=CCn1cc(CNC(=O)N[C@@H](C)c2cccc(OC)c2)nn1
230724552	ZINC000425416455	ref	1.26	-7.31	0	315.242	2.285	1	5	4	O[C@@H]([C@H]1CCCCN1Cc1nc(C(F)F)no1)C(F)(F)F
342594729	ZINC000616962081	ref	3.03	-18.11	0	274.32	1.236	2	3	4	O=C(N[C@H]1CCNC1=O)c1ccc(OC2CCC2)cc1
342594730	ZINC000616962242	ref	2.8	-20.34	0	271.32	1.024	3	2	3	Cc1cccc2c(CC(=O)N[C@@H]3CCNC3=O)c[nH]c12
361823290	ZINC000599873794	ref	-1.01	-13.32	0	284.268	0.157	1	7	8	C=CCOC[C@H](NC(=O)c1coc(OC)n1)C(=O)OC
342594731	ZINC000590770022	ref	7.0	-13.24	0	295.302	1.849	2	6	3	Cn1ncc2c(=O)[nH]c(NCc3cc4ccccc4o3)nc21
349534361	ZINC000602430114	mid	4.57	-6.29	0	241.331	1.583	0	4	5	COC(=O)[C@H]1CCCCN1CCC[C@@H]1CCO1
361823294	ZINC000599874093	ref	5.57	-18.11	0	281.312	0.052	1	6	8	C=CCOC[C@H](NC(=O)Cn1cncc1C)C(=O)OC
361823300	ZINC000599874093	mid	6.08	-40.43	1	281.312	0.052	1	5	8	C=CCOC[C@H](NC(=O)Cn1c[nH+]cc1C)C(=O)OC
361823309	ZINC000599873417	ref	2.01	-13.26	0	260.297	0.936	3	4	4	Cc1c(N)cccc1NC(=O)C(=O)NCCCC#N
361823316	ZINC000599876890	ref	5.55	-16.68	0	263.297	0.584	1	5	5	COC(=O)c1cnn(CC(=O)N[C@@H]2C[C@H]2C2CC2)c1
361823325	ZINC000599867108	ref	3.07	-16.56	0	267.264	0.609	1	5	3	N#C[C@H]1CN(C(=O)Nc2cnn(CCF)c2)CCO1
361823330	ZINC000599873820	ref	1.84	-11.4	0	260.297	0.943	3	4	4	CNc1ccc(NC(=O)C(=O)NC[C@@H](C)C#N)cc1
361823336	ZINC000599872592	ref	1.92	-11.25	0	260.297	0.792	3	4	3	Cc1c(N)cccc1NC(=O)C(=O)NC[C@H](C)C#N
361823343	ZINC000599874722	ref	3.2	-14.35	0	294.311	0.087	1	7	8	C=CCOC[C@@H](NC(=O)c1cn(C2CC2)nn1)C(=O)OC
361823349	ZINC000599867733	ref	3.51	-13.3	0	276.34	0.546	2	4	6	CNC(=O)CCN(C)c1ccc(C(=O)NC2CC2)cn1
361823355	ZINC000599874464	ref	5.6	-15.62	0	261.281	0.516	0	5	4	COC(=O)[C@H](C)N(C)C(=O)Cc1ccc(C#N)nc1
361823361	ZINC000599876285	ref	4.23	-15.39	0	287.323	0.193	1	5	4	Cn1cc(N2C[C@H](C(=O)NCC3(C#N)CC3)CC2=O)cn1
361823365	ZINC000599870754	ref	4.85	-23.66	0	262.269	0.042	0	6	3	COC(=O)c1cnn(CC(=O)N2CC(C)(C#N)C2)c1
361823373	ZINC000599872884	ref	4.43	-18.09	0	290.319	0.534	1	4	3	COC(=O)[C@H](C)N(C)C(=O)[C@H]1CNC(=O)c2ccccc21
361823380	ZINC000599874092	ref	5.57	-18.58	0	281.312	0.052	1	6	8	C=CCOC[C@@H](NC(=O)Cn1cncc1C)C(=O)OC
178299983	ZINC000237148973	mid	3.06	-21.97	0	352.378	1.426	1	4	6	CN(Cc1ccccc1C(F)(F)F)C(=O)[C@H](N)CCS(C)(=O)=O
178299987	ZINC000237149219	ref	6.91	-49.86	-1	369.215	1.559	1	4	5	CN1C[C@@H](C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O
214183242	ZINC000337618889	ref	4.84	-7.0	0	273.442	2.387	1	3	5	CC[C@]1(CO)CCCN(C(=O)C(C)(C)CSC)C1
214183246	ZINC000337618860	ref	6.51	-6.29	0	255.358	2.019	0	3	7	COCCN(C(=O)CCC(C)=O)[C@@H]1CCC[C@H]1C
214183250	ZINC000337615613	ref	4.62	-13.97	0	286.335	0.659	1	4	3	C[C@@H]1CN(C(=O)CNc2cccc(C#N)c2)CC(=O)N1C
214183254	ZINC000337619706	ref	-0.88	-40.9	-1	287.201	0.854	2	4	3	O=C(NCc1n[nH]c(=O)[n-]1)c1ccncc1C(F)(F)F
214183255	ZINC000337619706	low	0.27	-15.11	0	287.201	0.854	3	4	3	O=C(NCc1n[nH]c(=O)[nH]1)c1ccncc1C(F)(F)F
214183259	ZINC000337618396	ref	-0.04	-17.06	0	298.339	0.188	1	6	10	COCCOc1ncccc1C(=O)N(C)CCOCCO
214183263	ZINC000337618730	ref	1.19	-21.95	0	292.299	-0.171	3	6	5	CNC(=O)c1c(NC(=O)COc2cnn(C)c2)n[nH]c1C
214183269	ZINC000337617067	ref	0.07	-14.27	0	253.262	0.062	2	5	5	Cc1n[nH]c(C(=O)NCCN2CCC2)c1[N+](=O)[O-]
214183271	ZINC000337617067	mid	3.25	-51.32	1	253.262	0.062	3	4	5	Cc1n[nH]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
214183275	ZINC000337617067	high	3.07	-50.33	0	253.262	0.062	2	4	5	Cc1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
214183277	ZINC000337619298	ref	6.32	-9.58	0	283.343	2.445	1	3	8	CC[C@H](C)OCC(=O)N[C@H](COC)c1ccc(F)cc1
214183282	ZINC000337617661	ref	-0.29	-22.76	0	279.358	-0.579	1	5	8	CCN(CCOCCO)C(=O)C1(S(C)(=O)=O)CC1
214183284	ZINC000337620114	ref	7.74	-12.65	0	289.297	3.223	0	2	4	COc1c(C)cc(CN(C)C(=O)CC(F)(F)F)cc1C
214183288	ZINC000337619246	ref	9.93	-42.22	1	271.364	2.483	1	3	7	COCC[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1
214183291	ZINC000337619246	mid	10.24	-40.19	1	271.364	2.483	1	3	7	COCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1
214183294	ZINC000337619246	low	10.44	-80.13	2	271.364	2.483	1	2	7	COCC[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1
214183297	ZINC000337619246	low	10.75	-80.23	2	271.364	2.483	1	2	7	COCC[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)C1CC1
214183299	ZINC000337619246	high	7.6	-7.89	0	271.364	2.483	0	4	7	COCCN(Cc1ccc(-n2ccnc2)cc1)C1CC1
214183303	ZINC000337619410	ref	8.07	-11.22	0	298.39	3.422	1	4	4	C[C@@H]1CCC[C@H](CC(=O)Nc2cnccc2-n2cccn2)C1
342087908	ZINC000621362011	ref	5.6	-32.24	1	282.428	1.584	2	2	3	CC1CCN(C(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](CO)C2)CC1
365631715	ZINC000576584359	low	5.07	-53.71	1	227.293	-0.275	2	5	2	Cc1nnc(NC(=O)[C@@H]2CSC[NH2+]2)n1C
365631727	ZINC000630887066	ref	2.46	-12.02	0	232.283	2.269	3	2	5	O=C(CCCCO)Nc1cccc2[nH]ccc12
342594732	ZINC000616962300	ref	0.49	-18.47	0	285.303	1.268	2	4	3	Cc1ccc(-c2ocnc2C(=O)N[C@@H]2CCNC2=O)cc1
299072153	ZINC000567664972	ref	5.57	-51.69	1	278.4	2.385	2	3	5	CC(C)CCn1nccc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1
365631744	ZINC000576585861	ref	4.29	-7.89	0	217.284	1.666	1	2	5	CO[C@H](C)[C@H](C)NC(=O)C1(CF)CCC1
365631772	ZINC000576584773	ref	7.09	-32.52	1	234.387	2.581	2	0	7	C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1
365631777	ZINC000576584773	high	7.09	-32.52	1	234.387	2.581	2	1	7	C[C@H](N)C[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1
365631788	ZINC000576584689	ref	0.98	-69.86	1	249.274	-0.098	3	4	3	CC(C)(C[NH3+])NC(=O)c1ccc2n[nH]c(=O)n2c1
365631802	ZINC000576586492	ref	5.39	-7.53	0	239.359	2.496	1	2	4	CC(C)CC1(C(=O)N[C@@H]2CO[C@H](C)C2)CCC1
365631822	ZINC000576586508	ref	1.01	-43.2	-1	247.298	1.679	2	2	1	CC1=C(C)C[C@@H](C(=O)N=c2ccc(=O)[nH][nH]2)CC1
365631829	ZINC000576586508	mid	1.74	-118.49	-2	247.298	1.679	1	3	1	CC1=C(C)C[C@@H](C(=O)N=c2ccc(O)n[n-]2)CC1
365631837	ZINC000576586508	high	1.74	-118.49	-2	247.298	1.679	0	3	1	CC1=C(C)C[C@@H](C(=O)N=c2ccc([O-])n[n-]2)CC1
365631851	ZINC000576585621	ref	8.75	-6.9	0	223.36	3.403	0	1	7	C=CCN(C)C(=O)C[C@H](C)CCC=C(C)C
365631863	ZINC000576585596	ref	3.18	-8.91	0	225.332	1.844	2	2	4	CC(C)(O)CCNC(=O)C1CC2(CCC2)C1
282121919	ZINC000171051216	ref	7.11	-16.03	0	345.834	2.541	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCc3c(Cl)cccc31)CC2
214724987	ZINC000338693561	mid	5.59	-43.1	1	282.384	0.88	1	3	5	O=C(CCCC[NH+]1CCOCC1)N1CCOCC12CC2
342594733	ZINC000590769487	ref	5.26	-11.89	0	259.269	1.004	2	6	3	Cc1occc1CNc1nc2c(cnn2C)c(=O)[nH]1
365631882	ZINC000576585273	ref	4.13	-42.74	1	241.294	2.623	1	4	3	NCc1noc(C2=C(c3ccccc3)CCC2)n1
187168745	ZINC000125080091	ref	7.23	-12.02	0	276.384	2.803	1	3	3	CC(C)Cn1cc(NC(=O)N2C[C@H]3CCC[C@@H]3C2)cn1
282121922	ZINC000333365428	ref	2.58	-62.04	1	292.387	0.47	3	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCCC[C@H]1[NH3+])CC2
282121930	ZINC000119799787	ref	7.93	-18.55	0	329.379	1.808	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3c(F)cccc3C1)CC2
365631889	ZINC000576585273	mid	4.13	-42.74	1	241.294	2.623	1	3	3	[NH3+]Cc1noc(C2=C(c3ccccc3)CCC2)n1
365631898	ZINC000576586019	ref	6.4	-10.54	0	246.31	1.799	0	3	4	CCN(Cc1ccccn1)C(=O)[C@H]1CCC(=O)C1
365631720	ZINC000336549282	ref	4.99	-13.07	0	276.327	2.242	1	2	3	COC[C@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1
365631728	ZINC000336549921	ref	4.28	-13.82	0	289.335	2.04	2	3	2	CC(=O)Nc1cccc(NC(=O)N2C[C@@H]3CC[C@H](C2)O3)c1
365631735	ZINC000336549587	ref	6.05	-9.38	0	277.368	2.305	0	3	3	C[C@H](c1ccccn1)N(C)C(=O)N(C)C1CCOCC1
365631743	ZINC000336549856	ref	6.22	-12.02	0	264.373	2.108	1	3	3	CC[C@H](C)NC(=O)N1CCC[C@@H](c2ccnn2C)C1
365631749	ZINC000336549678	ref	5.1	-6.73	0	267.284	2.117	1	3	2	O=C(C(=O)N1Cc2ccccc2C1)c1ccc(O)cc1
365631755	ZINC000336549678	mid	5.88	-42.21	-1	267.284	2.117	0	3	2	O=C(C(=O)N1Cc2ccccc2C1)c1ccc([O-])cc1
365631762	ZINC000336549644	ref	2.66	-16.12	0	288.351	2.108	3	3	3	Cc1cc(NC(=O)N2CC[C@@H](CCO)C2)cc2n[nH]cc12
178299991	ZINC000237154379	ref	5.46	-45.41	1	357.414	1.171	1	6	4	C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(-c2ccc3c(c2)OCCO3)c1C
365631768	ZINC000336549506	ref	5.27	-10.09	0	267.691	2.441	2	2	3	Cc1nc[nH]c1CNC(=O)c1cc(F)ccc1Cl
365631776	ZINC000336549506	low	5.74	-40.89	1	267.691	2.441	2	1	3	Cc1[nH+]c[nH]c1CNC(=O)c1cc(F)ccc1Cl
178299992	ZINC000237149174	ref	4.01	-46.43	1	353.47	1.45	2	4	6	CN(C)c1ccc(-c2cncc(C(=O)NCCN3CC[NH2+]CC3)c2)cc1
365631785	ZINC000336549455	ref	5.93	-4.28	0	266.385	2.084	1	2	2	CC[C@@H]1CCCN(C(=O)C(=O)NC2CCCCC2)C1
365631792	ZINC000336549886	ref	5.62	-10.69	0	275.348	2.223	0	3	1	C[C@@H]1CN(C(=O)[C@@]2(C)CCOC2)Cc2ccccc2O1
365631799	ZINC000336549420	ref	8.43	-16.46	0	297.358	2.119	1	3	2	O=C([C@H]1Cc2ccccc2O1)N1CCC(c2c[nH]cn2)CC1
365631807	ZINC000336549420	mid	8.39	-18.98	0	297.358	2.119	1	3	2	O=C([C@H]1Cc2ccccc2O1)N1CCC(c2cnc[nH]2)CC1
230724602	ZINC000414275485	ref	8.21	-47.2	1	305.466	3.302	1	3	5	CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)C1
178299996	ZINC000237143948	ref	5.15	-38.24	1	365.499	1.731	2	3	6	C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)NC2CCCC2)c1
178300000	ZINC000237140505	ref	8.92	-87.49	2	370.541	1.652	2	2	6	C[N@H+](CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1)Cc1ccccc1
178300003	ZINC000237140505	mid	8.91	-87.67	2	370.541	1.652	2	2	6	C[N@@H+](CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1)Cc1ccccc1
365631812	ZINC000336549420	low	8.91	-49.58	1	297.358	2.119	1	2	2	O=C([C@H]1Cc2ccccc2O1)N1CCC(c2c[nH+]c[nH]2)CC1
187168746	ZINC000125081323	ref	5.31	-14.1	0	278.352	2.303	1	4	5	Cc1ccc(NC(=O)[C@H](C)OC[C@H]2CCCCO2)cn1
214183253	ZINC000278484612	ref	1.15	-16.62	0	303.347	1.609	1	7	5	CCc1nc(CCNC(=O)c2nc3cccnc3s2)no1
214183256	ZINC000278483402	ref	5.45	-7.24	0	314.433	2.431	1	5	7	C[C@@H](CNc1cnn(CCN2CCOCC2)c1)c1ccccc1
214183261	ZINC000278483402	low	7.87	-40.55	1	314.433	2.431	2	4	7	C[C@@H](CNc1cnn(CC[NH+]2CCOCC2)c1)c1ccccc1
214183266	ZINC000278484362	ref	6.68	-45.86	1	320.433	2.234	2	3	6	COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)ccc1C
398248165	ZINC000395035947	high	6.24	-3.43	0	219.328	3.141	1	2	7	C/C=C\CNCc1cccc(OCCC)c1
214183267	ZINC000278484362	mid	6.7	-47.08	1	320.433	2.234	2	3	6	COc1cc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)ccc1C
398248166	ZINC000076849462	ref	4.66	-12.2	0	222.288	1.467	0	3	6	CCOCCC(=O)N(C)Cc1ccccn1
214183270	ZINC000278484362	high	4.6	-10.43	0	320.433	2.234	1	4	6	COc1cc(C(=O)NCCCN2CCCO[C@@H](C)C2)ccc1C
214183274	ZINC000278483215	ref	5.92	-9.99	0	318.236	3.084	1	3	3	CC1(C)CC[C@H](C(=O)NCc2csc(Br)c2)O1
214183279	ZINC000278483436	ref	7.33	-14.49	0	305.33	2.056	0	6	6	COc1cc(OC(=O)[C@H](C)OC[C@@H]2CCCO2)ccc1C#N
197591285	ZINC000162777499	ref	4.45	-18.23	0	320.305	1.834	2	6	5	Cc1noc(C)c1[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
214183283	ZINC000278482692	ref	3.53	-6.95	0	318.251	1.11	2	4	3	COC(=O)C(C)(C)NC(=O)C(=O)Nc1ccc(F)c(F)c1F
342087909	ZINC000621362011	mid	5.69	-36.15	1	282.428	1.584	2	2	3	CC1CCN(C(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC1
214183286	ZINC000278484495	ref	4.93	-57.13	-1	323.418	2.625	0	5	5	Cc1ccc([N-]S(=O)(=O)c2cn(C)c(C)n2)cc1OC(C)C
214183289	ZINC000278484446	ref	6.04	-19.96	0	303.387	1.575	1	4	3	O=C(Cc1cccc(N2CCCC2=O)c1)NC1=NCCS1
178299999	ZINC000359799981	ref	4.93	-12.66	0	241.298	2.217	2	4	3	Cc1cc2n[nH]cc2cc1NCc1nccn1C
342087910	ZINC000621362011	high	3.35	-8.59	0	282.428	1.584	1	3	3	CC1CCN(C(=O)[C@H](C)N2CC[C@H](C)[C@@H](CO)C2)CC1
342087911	ZINC000121121028	ref	7.3	-14.47	0	251.33	1.901	1	4	6	CCO[C@H](CC)C(=O)Nc1cccc(N(C)C)n1
342087912	ZINC000622702193	ref	1.13	-12.38	0	267.354	1.132	2	4	4	CC(C)c1scnc1C(=O)NC[C@@H]1CNC(=O)C1
342087913	ZINC000609039190	ref	7.42	-46.37	1	299.382	1.27	1	6	4	C[NH+](C)[C@@H]1CCCN(c2ncnc3c2cnn3CCC#N)C1
342087914	ZINC000625368299	ref	3.84	-37.53	1	297.37	1.986	2	3	6	CO[C@H](C[N@H+](C)C1(CO)CCOCC1)c1ccc(F)cc1
282121920	ZINC000361329314	ref	10.02	-37.98	1	275.392	3.112	1	2	7	CCC(CC)(C[NH2+][C@@H]1C[C@@H]1c1ccccc1)C(=O)OC
398248167	ZINC000442705907	ref	0.62	-23.28	0	225.248	-0.606	1	5	5	CO[C@H](C)CNC(=O)Cn1cccnc1=O
168364657	ZINC000368500258	high	4.13	-44.3	-1	328.441	3.413	1	4	3	Cc1ccc2c(C3CCN(Cc4n[n-]c(=O)s4)CC3)c[nH]c2c1
342087915	ZINC000625368299	mid	4.41	-39.18	1	297.37	1.986	2	3	6	CO[C@H](C[N@@H+](C)C1(CO)CCOCC1)c1ccc(F)cc1
342087916	ZINC000127105324	ref	2.94	-40.55	1	254.374	1.032	1	3	5	C[C@H]([NH2+]CC1=CCCOC1)[C@H](C)N1CCOCC1
342087917	ZINC000127105577	ref	3.02	-40.53	1	254.374	1.032	1	3	5	C[C@@H]([C@@H](C)[NH2+]CC1=CCCOC1)N1CCOCC1
282121923	ZINC000263023638	ref	8.89	-35.36	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)C(=O)[O-]
342087918	ZINC000609039197	ref	5.77	-19.52	0	264.285	1.411	1	5	4	CC(C)N1C[C@H](Nc2cccnc2[N+](=O)[O-])CC1=O
365631724	ZINC000274350936	high	3.23	-8.55	0	271.357	1.747	1	5	12	COCCOCCOCCCNCc1ccc(C)o1
398248170	ZINC000336779481	ref	4.62	-43.77	1	227.348	1.96	1	2	5	C[C@@H]1OCC[C@H]1[NH2+]CCCC1CCOCC1
342087919	ZINC000609039242	ref	2.64	-15.07	0	271.298	1.063	2	5	4	C[C@H]1C[C@H]1Nc1cccc([N+](=O)[O-])c1S(N)(=O)=O
342087920	ZINC000622702196	ref	3.98	-16.68	0	282.384	1.367	2	3	6	CC[C@H](OC1CCCCC1)C(=O)NC[C@@H]1CNC(=O)C1
365631734	ZINC000274352431	ref	6.73	-45.8	1	266.32	1.634	2	2	2	C[C@@H]1CN(C(=O)Nc2cccc(F)n2)C[C@H]1[NH+](C)C
365631745	ZINC000274349165	ref	6.81	-16.74	0	291.351	1.069	1	4	3	CCOC(=O)[C@H]1CCCN1C(=O)[C@@H]1CCc2n[nH]cc2C1
365631765	ZINC000274351166	ref	6.35	-48.82	1	275.356	1.425	2	3	1	C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cncnc3)CC[C@@H]21
282121925	ZINC000340488696	ref	6.97	-35.89	1	271.401	2.513	1	3	7	CCC(CC)(C[NH2+][C@H](C)[C@]1(C)CCCO1)C(=O)OC
342087921	ZINC000624213252	ref	6.3	-41.59	1	271.368	1.446	2	4	4	c1cc2ncc(CNC3CC[NH+](C4CC4)CC3)cn2n1
342087922	ZINC000624213252	mid	5.55	-55.77	1	271.368	1.446	1	4	4	c1cc2ncc(C[NH2+]C3CCN(C4CC4)CC3)cn2n1
282121927	ZINC000423040775	ref	5.47	-42.63	1	256.39	1.696	2	3	7	CCC(CC)(CN[C@H](C)[C@H]1CCC[NH2+]1)C(=O)OC
282121928	ZINC000423040775	mid	6.4	-124.91	2	256.39	1.696	2	2	7	CCC(CC)(C[NH2+][C@H](C)[C@H]1CCC[NH2+]1)C(=O)OC
342087923	ZINC000624213252	low	7.5	-124.32	2	271.368	1.446	2	3	4	c1cc2ncc(C[NH2+]C3CC[NH+](C4CC4)CC3)cn2n1
342087924	ZINC000046786979	ref	4.57	-15.85	0	279.336	1.235	1	4	8	O=C(COCCOc1ccccc1)NC[C@H]1CCOC1
398248172	ZINC000645410077	ref	4.96	-50.06	1	209.253	0.275	3	3	2	C[C@]1(C(=O)Nc2nc[nH]n2)CCCC[NH2+]1
230724607	ZINC000414276454	ref	5.07	-18.22	0	317.838	3.082	1	3	5	COc1ccc(Cl)cc1NC(=O)C[S@](=O)CC(C)(C)C
365631729	ZINC000625066411	ref	6.45	-39.54	1	316.405	2.212	1	5	6	COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCc2cn(C)nn2)c1
342594734	ZINC000590769917	ref	4.94	-40.6	-1	296.334	1.485	0	6	2	Cc1nnc2n1C[C@H](N=c1[n-]c(-c3ccccc3)no1)CC2
187168747	ZINC000125084765	ref	5.09	-18.91	0	288.347	1.641	2	3	4	CC(=O)Nc1ccc(/C=C/C(=O)N2CCC[C@H]2CO)cc1
342594735	ZINC000616962141	ref	3.28	-17.27	0	292.31	1.039	2	3	5	C[C@H](CC(=O)N[C@H]1CCNC1=O)C(=O)c1cccc(F)c1
365631738	ZINC000625066411	mid	7.21	-37.77	1	316.405	2.212	1	5	6	COc1ccc(OC)c([C@@H]2CCC[N@H+]2CCc2cn(C)nn2)c1
365631746	ZINC000625066411	high	4.11	-13.23	0	316.405	2.212	0	6	6	COc1ccc(OC)c([C@@H]2CCCN2CCc2cn(C)nn2)c1
349534363	ZINC000594966801	ref	5.3	-49.54	1	270.332	2.668	2	3	5	CC(C)([NH2+]Cc1ccc(CO)o1)c1cccc(C#N)c1
398248168	ZINC000076842768	ref	5.1	-46.83	-1	221.256	1.62	0	3	3	CCO[N-]C(=O)[C@@H]1CCOc2ccccc21
365631750	ZINC000625063531	ref	2.66	-10.09	0	319.467	2.07	1	4	7	COCCC1(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)CCCC1
365631759	ZINC000625064337	ref	6.31	-16.14	0	318.417	2.185	1	3	5	COc1c(C)cc(CN(C)C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)cc1C
365631770	ZINC000625066413	ref	7.19	-39.91	1	316.405	2.212	1	5	6	COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCc2cn(C)nn2)c1
398248169	ZINC000076842768	mid	5.13	-12.67	0	221.256	1.62	1	3	3	CCONC(=O)[C@@H]1CCOc2ccccc21
190493258	ZINC000269429403	ref	6.81	-12.85	0	295.383	2.173	1	5	8	CCOC(=O)[C@H](C)CNC(=O)c1ccn(C(CC)CC)n1
230724622	ZINC000414274443	ref	7.97	-47.62	1	305.466	3.302	1	3	5	CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
230724624	ZINC000414277677	ref	7.6	-43.77	1	314.433	3.024	1	4	7	CCC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccn1
365631774	ZINC000625066413	mid	6.45	-39.52	1	316.405	2.212	1	5	6	COc1ccc(OC)c([C@H]2CCC[N@H+]2CCc2cn(C)nn2)c1
365631784	ZINC000625066413	high	5.36	-11.45	0	316.405	2.212	0	6	6	COc1ccc(OC)c([C@H]2CCCN2CCc2cn(C)nn2)c1
365631790	ZINC000625064018	ref	6.56	-39.33	1	306.406	2.266	2	3	6	COC1CC(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1
365631800	ZINC000625064018	mid	4.14	-11.78	0	306.406	2.266	1	4	6	COC1CC(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)C1
398248171	ZINC000390779447	ref	3.52	-11.71	0	238.312	1.411	2	3	2	C[C@@H]1SCC[C@@H]1NC(=O)c1ccc(=O)[nH]c1
349534364	ZINC000602429975	ref	9.35	-42.57	1	222.376	3.581	1	1	5	C[C@@H](CCC#N)C[N@H+](C)C1CCCCCC1
214183292	ZINC000293550944	ref	5.15	-43.94	1	365.434	0.526	3	6	6	CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C
214183296	ZINC000293550944	mid	5.48	-43.27	1	365.434	0.526	3	6	6	CC[C@@H]1CCCC[N@H+]1CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C
214183301	ZINC000293550944	high	3.89	-8.96	0	365.434	0.526	2	7	6	CC[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C
214183304	ZINC000293546182	ref	1.78	-10.38	0	357.48	0.274	1	6	6	CC(C)C[C@@H]1C(=O)NCCCN1Cc1nccn1S(=O)(=O)N(C)C
214183310	ZINC000293542052	ref	4.08	-10.43	0	354.407	0.713	2	7	8	CCO[C@H](CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C)C(C)C
214183314	ZINC000293553781	ref	5.6	-27.0	0	371.459	0.422	0	7	4	COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)Cc1c(C)nn(C(C)C)c1C
214183318	ZINC000293546323	ref	3.12	-48.54	1	362.474	0.866	5	3	7	CNC(=O)[C@H](C)NC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1
214183322	ZINC000293546323	high	0.81	-12.19	0	362.474	0.866	4	4	7	CNC(=O)[C@H](C)NC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1
214183327	ZINC000293552090	ref	1.34	-17.95	0	367.471	0.986	1	5	5	C[C@H]1CN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H]1C
214183332	ZINC000293552090	low	4.18	-46.78	1	367.471	0.986	2	4	5	C[C@H]1C[N@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H]1C
214183337	ZINC000293552090	low	3.88	-45.81	1	367.471	0.986	2	4	5	C[C@H]1C[N@@H+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)[C@H]1C
214183342	ZINC000293553787	ref	-0.38	-18.63	0	361.367	0.247	0	6	2	C[C@@H]1CS(=O)(=O)CCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F
342594736	ZINC000616962179	ref	3.16	-17.08	0	266.728	1.448	2	2	3	C[C@@H](C(=O)N[C@@H]1CCNC1=O)c1cccc(Cl)c1
214183345	ZINC000293544502	ref	2.77	-56.89	1	362.455	0.324	2	4	2	C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1
214183348	ZINC000293544888	ref	1.88	-18.83	0	367.471	0.664	1	5	6	NC(=O)c1ccc(N2CCN(S(=O)(=O)CC[C@@H]3CCOC3)CC2)cc1
214183353	ZINC000293544504	ref	2.99	-57.87	1	362.455	0.324	2	4	2	C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1
214183358	ZINC000293543393	ref	1.3	-14.22	0	358.402	0.794	2	7	5	CCn1nc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2C(N)=O)n1
342594737	ZINC000616962208	ref	2.62	-15.78	0	252.701	1.267	2	2	2	Cc1cc(Cl)ccc1C(=O)N[C@H]1CCNC1=O
349534366	ZINC000602429975	mid	9.52	-42.87	1	222.376	3.581	1	1	5	C[C@@H](CCC#N)C[N@@H+](C)C1CCCCCC1
199272989	ZINC000294964216	mid	1.88	-11.31	0	291.326	2.181	1	5	7	COc1nccc(CNC[C@@H](C)Oc2ccccc2F)n1
282121921	ZINC000096052287	ref	10.41	-101.83	2	322.424	2.137	2	2	4	C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@H+](Cc3ccc(F)cc3)C2)O1
365631751	ZINC000172883402	ref	3.66	-8.76	0	296.754	1.502	2	3	5	C[C@H](CNC(=O)C(=O)NC1CC1)Oc1ccccc1Cl
365631771	ZINC000172886294	ref	1.03	-21.95	0	285.365	1.118	2	4	5	Cc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)[C@@H](C)O)cc1
343993687	ZINC000079908628	ref	7.25	-12.0	0	283.335	2.184	1	5	4	Cc1ccc(NC(=O)/C=C/C2CC2)cc1-n1nnnc1C
365631781	ZINC000172883308	ref	3.43	-7.24	0	263.337	1.469	0	4	4	COC[C@H]1CN(Cc2ccc3c(c2)CCO3)CCO1
365631789	ZINC000172883308	low	5.18	-43.11	1	263.337	1.469	1	3	4	COC[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CCO1
187168748	ZINC000125079637	ref	0.12	-25.76	0	281.316	-0.932	2	6	6	C[C@H](O)c1cn(CC(=O)N(C)CC(=O)NC2CC2)nn1
230724625	ZINC000425416456	ref	0.58	-7.9	0	315.242	2.285	1	5	4	O[C@@H]([C@@H]1CCCCN1Cc1nc(C(F)F)no1)C(F)(F)F
365631798	ZINC000172883308	low	5.71	-44.15	1	263.337	1.469	1	3	4	COC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCO1
230724629	ZINC000425420700	ref	5.34	-12.92	0	310.304	2.102	0	5	6	CN(C)C(=O)CN(Cc1nc(C(F)F)no1)c1ccccc1
365631811	ZINC000172887488	ref	2.64	-7.82	0	260.297	1.31	2	4	5	Cc1ccccc1O[C@H](C)CNC(=O)c1cn[nH]n1
365631830	ZINC000172887488	mid	2.71	-9.46	0	260.297	1.31	2	4	5	Cc1ccccc1O[C@H](C)CNC(=O)c1cnn[nH]1
365631838	ZINC000172887488	high	2.46	-38.15	-1	260.297	1.31	1	4	5	Cc1ccccc1O[C@H](C)CNC(=O)c1c[n-]nn1
342087925	ZINC000609039109	ref	8.08	-49.92	1	250.302	1.52	1	4	3	C[NH+](C)[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1
365631845	ZINC000172887488	high	2.54	-38.25	-1	260.297	1.31	1	4	5	Cc1ccccc1O[C@H](C)CNC(=O)c1cnn[n-]1
365631853	ZINC000172887488	high	2.62	-38.49	-1	260.297	1.31	1	4	5	Cc1ccccc1O[C@H](C)CNC(=O)c1cn[n-]n1
365631860	ZINC000172885364	ref	1.95	-9.97	0	298.408	1.02	1	5	6	COC[C@H]1CN(CC(=O)NCc2sccc2C)CCO1
365631873	ZINC000172884737	ref	4.3	-11.95	0	270.716	1.675	2	4	5	CCOC(=O)CNc1cc(Cl)ccc1C(=O)NC
365631884	ZINC000172887054	ref	3.68	-9.86	0	270.279	1.911	2	3	6	COc1c(F)cc(NCC(=O)NCC2CC2)cc1F
365631893	ZINC000172881444	ref	5.97	-16.87	0	280.324	1.129	1	5	7	CCOC(=O)CNc1cccc(OCC(=O)N(C)C)c1
365631904	ZINC000172886297	ref	1.63	-25.65	0	285.365	1.118	2	4	5	Cc1ccc(NC(=O)CS(=O)(=O)[C@H](C)[C@@H](C)O)cc1
230724637	ZINC000414275870	ref	6.73	-15.81	0	303.374	3.087	1	2	4	C[C@H](C(=O)Nc1ccc(F)cc1F)[S@](=O)CC(C)(C)C
365631775	ZINC000274351166	mid	6.15	-49.22	1	275.356	1.425	2	3	1	C[N@H+]1CCC[C@@H]2CN(C(=O)Nc3cncnc3)CC[C@@H]21
365631787	ZINC000274351072	ref	4.83	-12.33	0	252.318	1.755	1	4	6	CC(C)OCCCN(C)C(=O)Nc1cncnc1
365631797	ZINC000274352401	ref	3.66	-9.98	0	264.329	1.802	2	4	3	CC(C)[C@@H]1C[C@@H](NC(=O)Nc2cncnc2)CCO1
197591287	ZINC000162777499	mid	3.3	-29.72	-1	320.305	1.834	1	6	5	Cc1noc(C)c1[C@H](C)CNC(=O)c1cc([N+](=O)[O-])c[n-]c1=O
197591289	ZINC000162777845	ref	7.04	-43.07	1	320.389	1.451	1	4	6	COC(=O)c1ccccc1N(C)C(=O)C[NH2+][C@H](C)[C@@H]1CCOC1
365631808	ZINC000274350162	ref	2.45	-11.0	0	278.312	1.284	2	5	3	O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1cncnc1
365631827	ZINC000274351177	ref	4.24	-45.4	1	251.334	1.33	3	3	7	CCC[N@H+](CC)CCNC(=O)Nc1cncnc1
365631836	ZINC000274351177	mid	4.24	-45.49	1	251.334	1.33	3	3	7	CCC[N@@H+](CC)CCNC(=O)Nc1cncnc1
365631847	ZINC000353419213	ref	6.4	-12.29	0	277.368	1.523	0	4	4	Cn1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2CCCO2)n1
230724659	ZINC000414275781	ref	8.07	-17.47	0	307.459	3.111	1	2	8	CCCC[S@@](=O)CC(=O)N[C@@H](c1ccc(C)cc1)C1CC1
365631869	ZINC000274349461	ref	1.93	-13.61	0	286.238	1.879	1	6	4	Cc1noc(C)c1NC(=O)c1cc(OC(F)F)n(C)n1
197591291	ZINC000162777845	high	5.86	-12.71	0	320.389	1.451	1	5	6	COC(=O)c1ccccc1N(C)C(=O)CN[C@H](C)[C@@H]1CCOC1
365631878	ZINC000274349461	high	0.72	-47.54	-1	286.238	1.879	0	6	4	Cc1noc(C)c1[N-]C(=O)c1cc(OC(F)F)n(C)n1
230724668	ZINC000414277676	ref	7.58	-42.74	1	314.433	3.024	1	4	7	CCC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)c1ccccn1
342594738	ZINC000616962310	ref	3.17	-18.63	0	266.728	1.196	2	2	3	Cc1ccc(CC(=O)N[C@@H]2CCNC2=O)c(Cl)c1
365631891	ZINC000274351555	ref	4.4	-12.43	0	274.704	1.395	0	6	4	COC(=O)c1nn(CCC2OCCO2)c(C)c1Cl
178300002	ZINC000359799981	low	5.44	-39.1	1	241.298	2.217	2	3	3	Cc1cc2n[nH]cc2cc1NCc1[nH+]ccn1C
365631906	ZINC000274350024	ref	3.04	-13.2	0	299.33	1.468	1	4	3	CNC(=O)C1CN(C(=O)c2nc(-c3ccccc3)oc2C)C1
342594739	ZINC000590770280	ref	4.95	-8.25	0	263.272	1.018	1	5	3	Fc1cccc2ncnc(NC[C@H]3COCCO3)c12
365631919	ZINC000274352391	ref	3.62	-10.12	0	264.329	1.947	2	4	5	O=C(NCCOC1CCCCC1)Nc1cncnc1
365631928	ZINC000274350517	ref	3.31	-12.44	0	297.42	1.88	0	4	6	CO[C@H]1CCN(CCCS(=O)(=O)c2cccc(C)c2)C1
214183295	ZINC000278484446	high	4.93	-46.15	-1	303.387	1.575	0	4	3	O=C(Cc1cccc(N2CCCC2=O)c1)[N-]C1=NCCS1
214183300	ZINC000278483517	ref	4.39	-10.59	0	303.825	3.103	1	8	4	CCNc1nnc(Sc2nc(Cl)c(C#N)s2)s1
214183307	ZINC000278484039	ref	-0.17	-8.32	0	313.423	1.907	2	6	5	CCOC(=O)N[C@@H]1CCCN(Cc2cnc([C@@H](C)O)s2)C1
214183312	ZINC000278484039	low	2.41	-47.64	1	313.423	1.907	3	5	5	CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc([C@@H](C)O)s2)C1
214183316	ZINC000278484039	low	2.95	-48.2	1	313.423	1.907	3	5	5	CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc([C@@H](C)O)s2)C1
214183320	ZINC000278482778	ref	3.53	-37.09	1	318.248	2.277	2	3	5	CC[C@@H](CO)[NH+]1CCN(Cc2ccnc(Cl)c2Cl)CC1
214183324	ZINC000278482778	mid	1.96	-5.78	0	318.248	2.277	1	4	5	CC[C@@H](CO)N1CCN(Cc2ccnc(Cl)c2Cl)CC1
214183328	ZINC000278483248	ref	3.96	-8.47	0	314.385	3.011	2	4	5	CC(C)(C)[C@@H](CO)NC(=O)c1ccc(Oc2ccccc2)nc1
214183334	ZINC000278482865	ref	9.67	-13.76	0	318.417	2.476	0	4	5	CCOC(=O)[C@]1(C(C)C)CCN(C(=O)/C=C/c2ccn(C)c2)C1
214183338	ZINC000278483440	ref	7.26	-15.14	0	305.33	2.056	0	6	6	COc1cc(OC(=O)[C@H](C)OC[C@H]2CCCO2)ccc1C#N
214183341	ZINC000278484560	ref	6.94	-37.66	1	324.852	3.38	2	2	5	Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)c(Cl)c1
365631794	ZINC000641597659	ref	3.15	-16.54	0	288.413	1.107	1	3	4	CC(=O)N1CC[C@@H](CNS(=O)(=O)C2CCCCC2)C1
365631805	ZINC000641598181	ref	-0.03	-16.35	0	290.385	1.561	1	5	7	CO[C@H](C)CS(=O)(=O)NCc1oc(C(C)C)nc1C
214183347	ZINC000278483963	ref	9.19	-8.1	0	318.808	3.316	1	4	3	Cn1cncc1C(=O)Nc1cc(Cl)ccc1N1CCCCC1
214183352	ZINC000278483016	ref	6.63	-18.85	0	319.401	3.141	1	4	5	CC1(C)CC[C@H](C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)O1
214183357	ZINC000278483598	ref	4.28	-15.79	0	315.46	2.275	1	5	7	CS(=O)(=O)CCOc1cccc(NC[C@@H]2CCSC2)c1
178300005	ZINC000237140505	high	6.57	-42.15	1	370.541	1.652	1	3	6	CN(CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1)Cc1ccccc1
290622322	ZINC000492520052	ref	5.23	-9.41	0	297.358	2.377	1	4	6	CCc1cnccc1CNC(=O)/C=C/c1ccc(OC)cn1
178300008	ZINC000237141464	ref	3.84	-56.53	1	351.472	1.406	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@]1(C)CCCC[NH2+]1)CC2
214183363	ZINC000278482974	ref	5.64	-10.01	0	317.368	1.65	0	6	4	COc1ccnc(N2CCN(Cc3ccc(F)nc3C)CC2)n1
349534365	ZINC000594966801	mid	4.21	-9.24	0	270.332	2.668	2	4	5	CC(C)(NCc1ccc(CO)o1)c1cccc(C#N)c1
365631804	ZINC000623062728	ref	5.46	-47.72	1	319.796	1.617	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@]1(C)CC[NH2+]C1
230724650	ZINC000450374040	ref	9.14	-12.69	0	324.388	1.303	1	7	4	Cc1ccc(CNc2ccc3nncn3n2)c(N2CCOCC2)c1
282121924	ZINC000096052287	mid	9.87	-105.8	2	322.424	2.137	2	2	4	C[NH+](C)C[C@@H]1CC[C@]2(COCC[N@@H+](Cc3ccc(F)cc3)C2)O1
282121926	ZINC000096052287	mid	8.01	-36.7	1	322.424	2.137	1	3	4	C[NH+](C)C[C@@H]1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)O1
398248173	ZINC000625698706	ref	1.45	-10.54	0	230.214	2.307	1	3	5	C=CC[C@H](C)NC(=O)c1ocnc1C(F)F
398248174	ZINC000625698690	ref	6.29	-8.66	0	211.305	1.882	1	2	7	C=CC[C@H](C)NC(=O)[C@H](OCC)C1CC1
282121929	ZINC000096052287	high	5.48	-6.03	0	322.424	2.137	0	4	4	CN(C)C[C@@H]1CC[C@]2(COCCN(Cc3ccc(F)cc3)C2)O1
365631815	ZINC000623061817	ref	3.46	-48.3	1	324.356	1.965	2	4	3	C[C@@]1(NC(=O)c2nnc(-c3c(F)cccc3F)s2)CC[NH2+]C1
365631821	ZINC000623061620	ref	2.74	-47.1	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)no1
365631835	ZINC000623062281	ref	-0.08	-56.43	1	304.35	1.209	4	3	5	CCC([NH3+])(CC)CNC(=O)Nc1ccc2c(c1)C(=O)NC2=O
230724673	ZINC000450375548	ref	6.91	-14.87	0	319.311	1.736	1	3	3	C[C@@H]1C[C@@]1(C#N)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1
365631843	ZINC000623062281	high	-1.87	-81.27	0	304.35	1.209	3	3	5	CCC([NH3+])(CC)CNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365631852	ZINC000623062144	ref	5.21	-13.52	0	310.316	1.282	0	3	7	CCN(CCC(F)(F)F)C(=O)[C@H]1CC(=O)N(CCOC)C1
365631862	ZINC000623062687	ref	4.93	-60.22	1	315.381	1.173	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@](C)(C[NH3+])C1
230724684	ZINC000450375219	ref	8.54	-12.34	0	301.394	1.895	1	6	4	CO[C@@H]1C[C@H](Nc2ccc3nnc([C@@H]4C[C@H]4C)n3n2)C1(C)C
230724687	ZINC000450374005	ref	4.62	-17.07	0	316.467	1.743	1	3	6	CCC[C@@H]1CCC[C@@H]1C(=O)N1CC[C@H](S(=O)(=O)NCC)C1
178300017	ZINC000071466753	ref	8.05	-8.8	0	243.697	3.358	0	3	1	Cc1cc2nc(-c3ccccc3)cc(Cl)n2n1
365631875	ZINC000623063472	ref	3.0	-54.78	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC
178300026	ZINC000361658542	ref	2.97	-12.66	0	245.311	2.335	2	5	3	Cc1cc2n[nH]cc2cc1NCc1csnn1
365631886	ZINC000623063199	ref	3.12	-8.85	0	313.357	1.379	2	4	4	COc1ccccc1[C@@H]1CNCCN1C(=O)C(=O)c1ccc[nH]1
178300032	ZINC000335766781	ref	0.83	-17.48	0	205.217	0.802	3	3	2	Cc1cc2n[nH]cc2cc1NC(=O)CO
342594740	ZINC000616962139	ref	3.3	-16.44	0	292.31	1.039	2	3	5	C[C@@H](CC(=O)N[C@H]1CCNC1=O)C(=O)c1cccc(F)c1
282121931	ZINC000263087302	ref	6.29	-35.4	0	294.395	2.502	1	4	9	CCC(CC)(C[NH2+][C@H](C)Cc1cccc(OC)n1)C(=O)[O-]
282121932	ZINC000447889759	ref	8.33	-40.17	1	340.508	2.885	2	3	8	CCC(CC)(C[NH2+][C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)OC
349534367	ZINC000594967509	ref	6.52	-48.08	1	295.448	2.865	1	2	6	CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1
342594741	ZINC000590770050	ref	6.49	-11.31	0	299.334	1.42	2	6	4	COc1ccc(C)cc1CNc1nc2c(cnn2C)c(=O)[nH]1
306234637	ZINC000557903581	ref	6.6	-27.08	0	334.445	1.778	1	5	4	CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2ccnc3c2ncn3C)C1
342594742	ZINC000590769672	ref	6.87	-11.07	0	261.329	1.483	2	5	4	Cn1ncc2c(=O)[nH]c(NCCC3CCCC3)nc21
342600486	ZINC000616999859	mid	7.16	-46.07	1	278.4	1.199	2	3	4	Cn1cncc1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600487	ZINC000616999859	low	7.73	-78.93	2	278.4	1.199	2	2	4	Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600488	ZINC000616999859	low	7.67	-78.73	2	278.4	1.199	2	2	4	Cn1c[nH+]cc1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600489	ZINC000590851837	ref	5.12	-59.76	-1	297.376	1.655	1	4	7	CCC[C@@H](CNC(=O)c1ccc([S@](C)=O)cc1)C(=O)[O-]
342600490	ZINC000616999550	ref	6.09	-36.89	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nc(C)n1
342600491	ZINC000616999550	mid	6.1	-37.29	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(C)n1
398248175	ZINC000645410077	high	3.76	-13.53	0	209.253	0.275	3	4	2	C[C@]1(C(=O)Nc2nc[nH]n2)CCCCN1
398248177	ZINC000442705847	ref	3.75	-50.52	1	237.347	0.989	1	3	4	C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)N1CCOCC1
212165459	ZINC000335488269	high	5.98	-6.78	0	262.397	2.119	0	2	1	CN1C[C@@H]2CCCN(C(=O)C3CC4(CCC4)C3)[C@@H]2C1
212165465	ZINC000335488685	ref	0.08	-17.08	0	277.271	-0.371	2	3	2	CN1C[C@H](NC(=O)N2CC[C@](O)(C(F)F)C2)CC1=O
212165470	ZINC000335488698	ref	4.74	-13.91	0	283.372	0.674	1	3	2	CC(C)[C@@H]1CN(C(=O)N[C@@H]2CC(=O)N(C)C2)CCCO1
212165477	ZINC000335489088	ref	6.91	-9.79	0	299.292	2.284	0	2	2	O=C(Cc1cc(F)c(F)cc1F)N1CC[C@@H]2OCC[C@@H]2C1
212165484	ZINC000335488387	ref	2.92	-11.96	0	275.399	0.935	0	5	2	C[C@@H]1SCCN(S(=O)(=O)c2ccn(C)n2)[C@H]1C
212165488	ZINC000335488720	ref	8.72	-10.68	0	291.782	2.184	0	3	2	O=C([C@H]1CC12CC2)N1CCN(c2ccc(Cl)cn2)CC1
212165497	ZINC000335489063	ref	7.99	-9.98	0	257.324	3.237	0	1	3	CC1=C(C)C[C@@H](C(=O)N2CC(CC(F)F)C2)CC1
178300010	ZINC000237141464	high	2.78	-18.49	0	351.472	1.406	2	4	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@]1(C)CCCCN1)CC2
365631806	ZINC000354698425	ref	3.87	-9.81	0	273.373	1.359	1	4	8	CCOC[C@H](NC(=O)COC1CCOCC1)C(C)C
178300014	ZINC000237149055	ref	6.09	-64.36	-1	355.188	1.689	2	4	6	COCC(=O)N[C@H](Cc1c[nH]c2ccc(Br)cc12)C(=O)[O-]
230724655	ZINC000425417098	ref	7.75	-44.06	1	306.454	2.49	3	2	6	C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1
230724657	ZINC000425417098	mid	7.73	-44.6	1	306.454	2.49	3	2	6	C[C@H]1CCC[N@@H+](CCCCNC(=O)N[C@@H]2CC[C@H](C#N)C2)C1
178300018	ZINC000237144975	ref	5.39	-56.12	1	351.451	1.364	2	6	9	COC(=O)CCCCCCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C
178300024	ZINC000237146434	ref	4.04	-56.51	1	360.195	1.767	2	2	5	COc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)c(I)c1
349534368	ZINC000602429414	ref	6.21	-5.47	0	245.363	1.932	0	4	9	CCCN(CC(=O)OC)C[C@H](OC)[C@H](C)CC
178300028	ZINC000237147132	ref	8.41	-42.33	-1	358.316	1.597	0	4	5	CN1C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccc(C(F)(F)F)cc2)CC1=O
365631819	ZINC000354698868	ref	2.98	-10.83	0	290.298	1.313	2	5	2	Cc1nn(C)c(N)c1C(=O)N[C@H]1COc2ccc(F)cc21
365631826	ZINC000354699083	ref	5.82	-9.73	0	252.358	1.358	0	2	1	CC(=O)N1CC(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)C1
365631841	ZINC000354699032	ref	4.63	-11.0	0	286.372	1.13	2	4	6	CCOC(=O)C[C@H](C)CNC(=O)N(C)[C@@H]1CCC[C@@H]1O
365631855	ZINC000354698404	ref	3.31	-24.49	0	259.294	1.596	2	5	3	O=C(Cc1ccc2n[nH]cc2c1)Nc1nncs1
282121933	ZINC000359571620	ref	7.33	-39.27	1	295.471	1.907	1	2	4	C[NH+](C)C[C@@H]1CCN([C@H]2CCCN(CC(C)(C)C)C2=O)C1
282121937	ZINC000359571620	low	9.85	-96.92	2	295.471	1.907	2	1	4	C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C1
178300029	ZINC000237153220	ref	4.38	-53.12	1	353.488	1.097	2	3	8	C[NH2+]CCCC(=O)NC1CCN(S(=O)(=O)Cc2ccccc2)CC1
178300031	ZINC000237142144	ref	8.44	-38.4	1	355.442	1.736	2	4	7	C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)CCn2ccnc2)c1
282121938	ZINC000359571620	low	9.81	-92.45	2	295.471	1.907	2	1	4	C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCCN(CC(C)(C)C)C2=O)C1
342594743	ZINC000590771259	ref	4.86	-13.28	0	293.319	1.147	1	5	6	COC(=O)COc1ccc(C(=O)NC[C@H]2CCCO2)cc1
365631867	ZINC000354698358	ref	8.39	-45.31	1	270.442	1.93	1	2	5	CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCSC2)C1
342594744	ZINC000590770434	ref	10.59	-13.52	0	297.366	1.884	0	7	3	CCn1cnc2c(N3CCC[C@H](n4ccnc4)C3)ncnc21
214183298	ZINC000053422521	ref	8.13	-12.96	0	347.465	3.822	0	6	5	CN(C)c1nc2sc(C(=O)N(Cc3ccco3)C3CC3)cc2s1
214183302	ZINC000053424442	ref	6.99	-14.14	0	337.449	1.026	1	6	8	C=CCn1c(SCC(=O)N[C@H](C)C(=O)N(C)C)nnc1C1CC1
214183306	ZINC000053422791	ref	7.36	-21.54	0	340.318	2.012	2	6	4	CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(-n3cncn3)nc2)c1
214183309	ZINC000053430369	ref	8.83	-11.79	0	343.427	2.619	0	5	5	CCN(C[C@@H]1CCCO1)C(=O)c1nn(C(C)C)c(=O)c2ccccc12
214183313	ZINC000053415803	ref	2.43	-23.4	0	334.438	1.113	2	4	8	CS[C@@H](C)C(=O)NCCS(=O)(=O)NCc1ccc(F)cc1
214183319	ZINC000053434438	ref	5.65	-9.9	0	348.403	1.325	1	5	4	CC(C)NC(=O)C(=O)N1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1
214183325	ZINC000053436706	ref	4.41	-24.55	0	336.388	1.2	1	5	8	CCN(C[C@@H]1CCCO1)C(=O)c1ccc(OCC(N)=O)c(OC)c1
214183330	ZINC000053420618	ref	2.23	-46.65	1	345.237	1.385	3	3	8	CC(C)[N@@H+](CC(N)=O)C[C@@H](O)COc1cccc(Br)c1
214183333	ZINC000053420618	mid	2.52	-45.97	1	345.237	1.385	3	3	8	CC(C)[N@H+](CC(N)=O)C[C@@H](O)COc1cccc(Br)c1
214183335	ZINC000053420618	mid	0.6	-13.48	0	345.237	1.385	2	4	8	CC(C)N(CC(N)=O)C[C@@H](O)COc1cccc(Br)c1
398248176	ZINC000313443279	ref	7.37	-9.71	0	237.694	1.518	1	5	4	Cn1cnc(CCNc2ncc(Cl)cn2)c1
398248178	ZINC000313443279	low	7.83	-35.1	1	237.694	1.518	1	4	4	Cn1c[nH+]c(CCNc2ncc(Cl)cn2)c1
349534369	ZINC000594967509	high	5.69	-11.36	0	295.448	2.865	1	3	6	CCOc1ccccc1CN[C@@H]1CCC[C@@H]([S@@](C)=O)C1
214183344	ZINC000053422681	ref	8.63	-15.57	0	326.385	2.422	1	7	5	CCSc1cc(C(=O)Nc2ccc(-n3cncn3)nc2)ccn1
214183350	ZINC000053429438	ref	7.31	-40.3	1	345.35	4.111	1	2	6	C[C@H]1CCC[C@H]([NH2+]CCN(C)Cc2cc(Br)cs2)C1
214183355	ZINC000053434900	ref	7.3	-19.43	0	330.384	1.981	0	4	5	CCN(C[C@H]1CCCO1)C(=O)c1cccc(N2C(=O)CCC2=O)c1
214190391	ZINC000278495016	ref	9.08	-51.58	1	320.387	3.018	1	3	4	C[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cc(F)cc(F)c1
214190394	ZINC000278495016	high	8.29	-6.84	0	320.387	3.018	1	4	4	C[C@@H](N[C@H]1CCCN(c2ccnn2C)C1)c1cc(F)cc(F)c1
187168749	ZINC000125086629	ref	8.0	-33.41	1	260.381	2.423	2	1	5	CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2)C1
349534371	ZINC000594968341	ref	6.22	-51.16	1	257.443	2.844	1	1	3	C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)C1
349534373	ZINC000594967913	ref	8.9	-30.65	1	262.353	2.562	1	3	5	CCc1ccc(C)[nH+]c1N[C@H](C)[C@@H]1C[C@H]1C(=O)OC
342594745	ZINC000590770434	low	11.29	-38.02	1	297.366	1.884	0	6	3	CCn1cnc2c(N3CCC[C@H](n4cc[nH+]c4)C3)ncnc21
187168750	ZINC000125086629	mid	7.88	-33.41	1	260.381	2.423	2	1	5	CC[C@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccccc2)C1
197591301	ZINC000290088831	ref	1.11	-10.01	0	293.366	0.604	1	6	7	COCC[C@H](NS(=O)(=O)c1ccsc1)C(=O)OC
185087447	ZINC000096072102	ref	5.52	-11.5	0	292.379	1.683	0	4	4	COCC[C@@H]1CO[C@@]2(CCN(C(=O)c3cccn3C)C2)C1
282121934	ZINC000447889759	high	7.3	-7.35	0	340.508	2.885	2	4	8	CCC(CC)(CN[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)OC
230724697	ZINC000414274563	ref	5.38	-14.24	0	303.786	3.107	1	2	4	C[C@H](C(=O)Nc1ccc(F)cc1Cl)[S@@](=O)C1CCC1
230724708	ZINC000414276356	ref	6.63	-16.18	0	315.866	3.312	1	2	5	C[C@@H](NC(=O)C[S@@](=O)CC(C)(C)C)c1ccc(Cl)cc1
230724714	ZINC000414275504	ref	8.42	-21.32	0	313.488	3.349	0	3	6	CCCC[S@](=O)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1
349534370	ZINC000602429414	mid	7.34	-35.71	1	245.363	1.932	1	3	9	CCC[N@@H+](CC(=O)OC)C[C@H](OC)[C@H](C)CC
133428303	ZINC000306482582	ref	3.18	-7.91	0	176.219	1.386	1	2	3	C=C[C@@H](C)NC(=O)c1cccnc1
361823291	ZINC000531823163	mid	7.73	-38.91	1	296.411	1.566	2	3	3	COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1
361823306	ZINC000616604616	ref	2.83	-12.18	0	277.324	1.358	2	4	2	COC(=O)N1CCN[C@H](c2ccccc2NC(C)=O)C1
361823311	ZINC000616604616	low	4.07	-58.05	1	277.324	1.358	2	3	2	COC(=O)N1CC[NH2+][C@H](c2ccccc2NC(C)=O)C1
361823317	ZINC000339742090	ref	6.68	-42.27	1	271.405	1.396	2	2	7	CCN(CCOC)C(=O)NCC[NH+]1CCC(C)CC1
361823322	ZINC000339742090	high	4.27	-10.54	0	271.405	1.396	1	3	7	CCN(CCOC)C(=O)NCCN1CCC(C)CC1
361823327	ZINC000531822686	ref	6.68	-11.52	0	273.34	1.775	0	5	1	C[C@H]1CCC[C@@H](C)CN1C(=O)c1ccc2nnnn2c1
361823333	ZINC000616604664	ref	3.72	-42.46	1	268.364	1.81	2	3	3	Nc1ncccc1[C@H]1C[NH2+]CCN1Cc1ccccc1
361823339	ZINC000616604664	high	2.32	-3.97	0	268.364	1.81	2	4	3	Nc1ncccc1[C@H]1CNCCN1Cc1ccccc1
361823342	ZINC000616604681	ref	4.08	-12.94	0	255.321	1.728	1	3	1	CC(=O)N1CCN[C@H](c2ccnc3ccccc23)C1
361823348	ZINC000616604681	mid	5.27	-58.31	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+][C@H](c2ccnc3ccccc23)C1
361823354	ZINC000332080209	ref	5.34	-14.29	0	291.742	1.593	1	5	3	O=C(NCc1nnc2n1CCCC2)c1ccncc1Cl
361823360	ZINC000332100729	ref	2.63	-16.07	0	260.284	1.064	2	2	4	C[C@]1(C(=O)NCC2(C(F)F)CC2)CCC(=O)NC1
365631810	ZINC000625063223	ref	7.2	-43.25	1	316.405	2.212	1	5	6	COc1ccc([C@H]2CCC[N@@H+]2CCc2cn(C)nn2)c(OC)c1
365631817	ZINC000625063223	mid	6.46	-40.35	1	316.405	2.212	1	5	6	COc1ccc([C@H]2CCC[N@H+]2CCc2cn(C)nn2)c(OC)c1
365631823	ZINC000625063223	high	5.37	-11.88	0	316.405	2.212	0	6	6	COc1ccc([C@H]2CCCN2CCc2cn(C)nn2)c(OC)c1
398248179	ZINC000650870672	ref	3.96	-11.06	0	260.284	1.464	1	2	2	CC1(CNC(=O)N2CC[C@]3(C2)CC3(F)F)COC1
365631831	ZINC000625064335	ref	6.29	-15.49	0	318.417	2.185	1	3	5	COc1c(C)cc(CN(C)C(=O)[C@H](C)[C@H]2CCC(=O)N2)cc1C
365631842	ZINC000625067017	ref	3.14	-10.43	0	319.373	2.367	1	3	4	Cc1ccc(S(=O)(=O)N[C@H](C)C2CCOCC2)c(F)c1F
230724707	ZINC000425419499	ref	1.81	-11.63	0	316.361	2.054	2	5	6	COc1cccc([C@H](C)NC(=O)NCc2nccc(OC)n2)c1
365631850	ZINC000625067017	high	3.59	-44.85	-1	319.373	2.367	0	3	4	Cc1ccc(S(=O)(=O)[N-][C@H](C)C2CCOCC2)c(F)c1F
365631858	ZINC000625064879	ref	1.78	-9.62	0	301.399	2.138	2	3	9	CC[C@H](O)CCNS(=O)(=O)CC(C)(C)C(F)(F)CC
178300020	ZINC000082795342	ref	4.53	-9.92	0	285.189	2.455	1	4	3	Cc1nn([C@@H](C)C[C@@](C)(N)C#N)c(C)c1Br
365631868	ZINC000625065007	ref	7.44	-40.49	1	304.434	2.095	2	2	5	CN(C)C(=O)C[N@H+](C)CC1(O)CCC(c2ccccc2)CC1
178300021	ZINC000082795342	mid	4.15	-58.41	1	285.189	2.455	1	3	3	Cc1nn([C@@H](C)C[C@@](C)([NH3+])C#N)c(C)c1Br
290622324	ZINC000492519849	ref	5.89	-9.11	0	278.377	2.067	0	4	3	COc1cncc(/C=C/C(=O)N2CCSC[C@@H]2C)c1
290622327	ZINC000492521624	ref	6.46	-11.88	0	292.404	2.457	0	4	4	CC[C@H]1CN(C(=O)/C=C\c2cncc(OC)c2)CCS1
290622328	ZINC000492520913	ref	0.55	-17.01	0	297.27	2.286	3	5	3	O=C(C=Cc1cncc(O)c1)Nc1ccc2oc(=O)[nH]c2c1
365631874	ZINC000625065007	mid	7.44	-40.38	1	304.434	2.095	2	2	5	CN(C)C(=O)C[N@@H+](C)CC1(O)CCC(c2ccccc2)CC1
365631877	ZINC000625065007	mid	5.75	-11.04	0	304.434	2.095	1	3	5	CN(CC(=O)N(C)C)CC1(O)CCC(c2ccccc2)CC1
365631887	ZINC000625064981	ref	5.17	-13.63	0	301.358	2.321	0	2	4	O=S(=O)(CCc1c(F)cccc1F)N1C[C@H]2CCC[C@@H]21
365631894	ZINC000625064495	ref	7.2	-12.45	0	311.385	2.005	1	4	3	Cc1cn2c(n1)C[C@@H](C(=O)NCc1ccc3c(c1)CCO3)CC2
365631900	ZINC000625064495	low	7.62	-36.06	1	311.385	2.005	1	3	3	Cc1cn2c([nH+]1)C[C@@H](C(=O)NCc1ccc3c(c1)CCO3)CC2
349534372	ZINC000602429414	mid	7.22	-35.28	1	245.363	1.932	1	3	9	CCC[N@H+](CC(=O)OC)C[C@H](OC)[C@H](C)CC
214183305	ZINC000337619410	mid	8.52	-35.74	1	298.39	3.422	1	3	4	C[C@@H]1CCC[C@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1
214183308	ZINC000337617030	ref	0.64	-43.38	1	269.349	-0.468	4	4	6	Cn1nccc1CNC(=O)NC[C@@](C)(O)C[NH+](C)C
214183311	ZINC000337617030	high	-1.27	-9.12	0	269.349	-0.468	3	5	6	CN(C)C[C@](C)(O)CNC(=O)NCc1ccnn1C
214183315	ZINC000337616153	ref	-0.51	-42.54	1	285.348	0.051	4	5	6	Cc1noc([C@@H](C)NC(=O)NC[C@@](C)(O)C[NH+](C)C)n1
214183317	ZINC000337616153	high	-2.5	-8.37	0	285.348	0.051	3	6	6	Cc1noc([C@@H](C)NC(=O)NC[C@@](C)(O)CN(C)C)n1
214183321	ZINC000337619812	ref	1.88	-23.51	0	284.291	-0.019	3	4	5	C[C@H](NC(=O)Nc1cccn(C)c1=O)C(=O)NCCF
214183323	ZINC000337618731	ref	6.11	-37.73	1	292.379	2.437	2	3	6	CC[NH+](CC)CC(=O)Nc1cccc2c1OCC[C@H]2OC
342087926	ZINC000622702191	ref	4.16	-16.44	0	280.393	1.632	2	3	6	Cc1ccc(CCCC(=O)NC[C@H]2CNC(=O)C2)s1
214183326	ZINC000337618731	mid	4.1	-9.08	0	292.379	2.437	1	4	6	CCN(CC)CC(=O)Nc1cccc2c1OCC[C@H]2OC
214183329	ZINC000337618679	ref	6.78	-8.38	0	273.38	2.338	1	3	4	C[C@@H]1CC[C@@H](C)N1C(=O)c1ccc(NCC2CC2)nc1
214183331	ZINC000337619886	ref	3.17	-27.88	0	283.328	0.248	2	5	7	CCN(CCOCCO)C(=O)Nc1cccn(C)c1=O
214183336	ZINC000337619689	ref	1.64	-41.39	1	274.361	-0.578	2	4	8	C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCOCCO
214183339	ZINC000337619689	mid	-0.52	-9.87	0	274.361	-0.578	1	5	8	C[C@@H](CN1CCOCC1)C(=O)N(C)CCOCCO
214183343	ZINC000337617825	ref	0.99	-12.01	0	270.252	0.146	2	7	4	NC(=O)c1cc(CNc2ncnc3ccncc23)on1
214183346	ZINC000337617254	ref	1.68	-15.35	0	267.329	-0.018	2	4	6	CN(CCOCCO)C(=O)[C@@H]1CCc2c[nH]nc2C1
214183349	ZINC000337617665	ref	7.84	-44.99	1	297.402	2.482	3	1	4	O=C(NCC[NH+]1CCC1)c1ccc2[nH]c3c(c2c1)CCCC3
214183351	ZINC000337617665	mid	4.66	-12.72	0	297.402	2.482	2	2	4	O=C(NCCN1CCC1)c1ccc2[nH]c3c(c2c1)CCCC3
290622325	ZINC000295864368	ref	8.85	-16.06	0	316.38	2.757	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3CCc4cccc(F)c4C3)n2C)O1
290622329	ZINC000453450286	ref	8.78	-13.08	0	312.417	3.006	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3Cc4ccccc4C[C@H]3C)n2C)O1
214183359	ZINC000337620264	ref	8.37	-12.87	0	277.372	2.161	2	4	5	Cc1cc(N(C)C)nc(NC(=O)N[C@H](C)CC2CC2)n1
214183362	ZINC000337616431	ref	4.78	-11.7	0	285.225	2.315	3	3	3	O=C(Cc1cccc(O)c1)Nc1nc(C(F)(F)F)c[nH]1
349534374	ZINC000602428987	ref	-2.81	-10.56	0	241.291	0.881	3	4	5	CC(C)[C@](C)(O)CNC(=O)NCc1cocn1
365631814	ZINC000641598181	high	-0.43	-46.0	-1	290.385	1.561	0	5	7	CO[C@H](C)CS(=O)(=O)[N-]Cc1oc(C(C)C)nc1C
365631825	ZINC000249889698	ref	4.0	-12.7	0	256.309	1.058	1	4	1	N#Cc1ccc(N2CC[C@H]3NC(=O)CC[C@H]3C2)nc1
365631844	ZINC000641598182	ref	-0.26	-15.94	0	290.385	1.561	1	5	7	CO[C@@H](C)CS(=O)(=O)NCc1oc(C(C)C)nc1C
197591302	ZINC000162778127	ref	5.45	-9.67	0	304.419	3.469	2	3	4	CC[C@@H](NC(=O)N1CCC[C@@H]1c1ccc[nH]1)c1nccs1
365631848	ZINC000641598182	high	-0.64	-45.64	-1	290.385	1.561	0	5	7	CO[C@@H](C)CS(=O)(=O)[N-]Cc1oc(C(C)C)nc1C
365631857	ZINC000641598930	ref	-0.98	-12.62	0	275.374	1.44	2	4	7	CCCNS(=O)(=O)NCc1oc(C(C)C)nc1C
342594746	ZINC000590770571	ref	8.05	-12.72	0	268.324	1.996	1	5	2	c1cn([C@H]2CCCN(c3ncnc4[nH]ccc34)C2)cn1
365631865	ZINC000641598896	ref	5.37	-14.07	0	267.373	1.296	1	2	2	CC(=O)N1CC[C@@H](CNC(=O)N2CCC(C)CC2)C1
365631876	ZINC000641598138	ref	-1.48	-16.35	0	266.345	1.459	1	5	5	CCC(C)(C)c1nnc(N2CC[C@@H](CC(N)=O)C2)o1
365631883	ZINC000641598471	ref	3.31	-11.47	0	291.347	1.195	1	4	6	COc1ccc(COCCC(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
365631892	ZINC000641599990	ref	4.01	-11.28	0	253.248	1.101	1	2	2	O=C(Cc1cc(F)ccc1F)N1C[C@H]2C[C@@]2(O)C1
365631905	ZINC000641597294	ref	3.99	-20.72	0	269.304	1.079	1	4	2	O=C(c1cccc(-n2cccn2)c1)N1C[C@@H]2C[C@]2(O)C1
365631914	ZINC000641598864	ref	-1.67	-55.46	-1	295.387	1.382	1	4	4	CCC(C)(C)c1n[n-]c(=NC[C@H]2CCCN(C(N)=O)C2)o1
365631925	ZINC000641598529	ref	4.52	-18.4	0	270.336	1.64	1	4	3	Cc1nc(N2CC[C@@H](CC(N)=O)C2)nc2ccccc12
342594747	ZINC000590770571	mid	8.31	-36.93	1	268.324	1.996	1	4	2	c1cn([C@H]2CCCN(c3[nH+]cnc4[nH]ccc34)C2)cn1
342594748	ZINC000590770571	low	8.74	-83.11	2	268.324	1.996	1	3	2	c1cc2c(N3CCC[C@H](n4cc[nH+]c4)C3)[nH+]cnc2[nH]1
342594749	ZINC000616962372	ref	3.26	-19.71	0	268.357	1.119	2	3	4	C[C@H](OC1CCCCCC1)C(=O)N[C@@H]1CCNC1=O
342594750	ZINC000590770492	ref	9.69	-13.67	0	283.339	1.401	0	7	2	Cn1cnc2c(N3CCC[C@@H](n4ccnc4)C3)ncnc21
365631937	ZINC000641598137	ref	-1.63	-15.24	0	266.345	1.459	1	5	5	CCC(C)(C)c1nnc(N2CC[C@H](CC(N)=O)C2)o1
365631946	ZINC000641597435	ref	4.74	-18.12	0	287.367	1.585	2	4	3	Cn1ccc(=NC(=O)CNc2cc(C(C)(C)C)ccn2)[nH]1
214183361	ZINC000293542011	ref	1.23	-14.55	0	364.187	0.799	2	4	5	CCC(CC)(NC(=O)c1cnn(C)c1I)C(N)=O
365631955	ZINC000641596228	ref	3.15	-14.81	0	278.381	1.874	1	5	5	CCc1cc2c(N(C)CCC(N)=O)nc(C)nc2s1
214183364	ZINC000337616431	mid	4.69	-10.7	0	285.225	2.315	3	3	3	O=C(Cc1cccc(O)c1)Nc1ncc(C(F)(F)F)[nH]1
222608370	ZINC000222443656	ref	8.78	-19.38	0	388.533	3.889	1	3	6	CC[C@H](NC(=O)c1cccc(N(C)S(C)(=O)=O)c1C)c1ccc(C)cc1C
398248180	ZINC000062358310	ref	2.25	-10.62	0	240.328	1.52	1	4	4	O=C(c1cscn1)N1CCC[C@H]1CCCO
214183366	ZINC000337619641	ref	2.58	-18.96	0	283.759	2.281	3	2	4	Cc1ccc(Cl)cc1NC(=O)NCC(C)(C)C(N)=O
306234638	ZINC000557905063	ref	5.07	-19.09	0	328.294	1.673	1	5	7	O=C(COCc1cccnc1)NCc1cnn(CC(F)(F)F)c1
214183370	ZINC000337618858	ref	6.6	-6.3	0	255.358	2.019	0	3	7	COCCN(C(=O)CCC(C)=O)[C@H]1CCC[C@@H]1C
365631818	ZINC000336549420	low	8.89	-49.73	1	297.358	2.119	1	2	2	O=C([C@H]1Cc2ccccc2O1)N1CCC(c2c[nH]c[nH+]2)CC1
214183372	ZINC000337617917	ref	2.34	-9.12	0	259.346	0.801	1	4	8	C[C@H]1CC[C@H](CCC(=O)N(C)CCOCCO)O1
214183375	ZINC000337616694	ref	5.66	-11.0	0	292.379	3.406	2	3	6	CCOc1ccc(NC(=O)NCC2CCCC2)cc1OC
342087927	ZINC000609039272	ref	7.94	-14.69	0	261.285	1.04	1	7	3	COC(=O)c1nc2nc(C)cc(N[C@@H]3C[C@H]3C)n2n1
178300025	ZINC000082795261	ref	3.94	-6.61	0	257.135	1.838	1	4	3	C[C@@H](C[C@](C)(N)C#N)n1cc(Br)cn1
214183379	ZINC000337617250	ref	1.96	-15.24	0	267.329	-0.018	2	4	6	CN(CCOCCO)C(=O)[C@H]1CCc2c[nH]nc2C1
214183381	ZINC000337619840	ref	5.36	-13.64	0	291.372	3.396	2	4	4	Cc1cc(NC(=O)COc2ccsc2)c(C)c(C)c1O
178300027	ZINC000082795261	mid	3.63	-53.93	1	257.135	1.838	1	3	3	C[C@@H](C[C@](C)([NH3+])C#N)n1cc(Br)cn1
214183383	ZINC000337619420	ref	7.32	-15.65	0	292.285	3.498	1	3	5	CCc1cccnc1NC(=O)c1cccc(OC(F)F)c1
342087928	ZINC000622702275	ref	3.98	-15.71	0	278.327	1.572	2	2	5	C[C@@H](CC(=O)NC[C@@H]1CNC(=O)C1)c1cccc(F)c1
214183386	ZINC000337618545	ref	5.33	-13.43	0	268.276	2.421	1	5	3	Cc1occc1C(=O)Nc1cnccc1-n1cccn1
214183387	ZINC000337618545	mid	5.78	-38.05	1	268.276	2.421	1	4	3	Cc1occc1C(=O)Nc1c[nH+]ccc1-n1cccn1
214183390	ZINC000337617796	ref	3.4	-11.16	0	279.327	2.06	2	3	6	CC(C)[C@H](O)CC(=O)N[C@H]1CCCC[C@H]1OC(F)F
342087929	ZINC000625368298	ref	4.07	-37.37	1	297.37	1.986	2	3	6	CO[C@@H](C[N@H+](C)C1(CO)CCOCC1)c1ccc(F)cc1
214183391	ZINC000337616947	ref	6.82	-14.02	0	278.396	2.106	1	2	4	CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1
214183394	ZINC000337617269	ref	7.95	-13.18	0	292.342	3.082	1	4	4	CCc1ccc(C(=O)Nc2cnccc2-n2cccn2)cc1
365631828	ZINC000336549410	ref	4.55	-7.26	0	295.354	2.133	1	3	3	CC(C)[C@@](C)(O)C(=O)N1CCO[C@H](c2cccc(F)c2)C1
365631833	ZINC000336549776	ref	4.21	-9.98	0	275.414	2.15	0	3	4	CO[C@@H](C)CS(=O)(=O)N1CCCC12CCCCC2
178300034	ZINC000237142144	low	8.96	-75.05	2	355.442	1.736	2	3	7	C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1
365631840	ZINC000336549891	ref	7.08	-13.31	0	284.294	2.482	1	4	2	N#Cc1cc(NC(=O)c2cn3c(n2)CCCC3)ccc1F
365631849	ZINC000336549422	ref	5.22	-11.76	0	275.308	2.051	2	4	2	C[C@@H]1CC[C@@H]1NC(=O)Nc1cccc2c1oc(=O)n2C
365631856	ZINC000336549784	ref	5.59	-47.5	1	259.415	2.076	1	2	3	C[N@H+](C[C@H]1CCCS(=O)(=O)C1)C1(C)CCCC1
365631861	ZINC000336549784	mid	5.47	-45.92	1	259.415	2.076	1	2	3	C[N@@H+](C[C@H]1CCCS(=O)(=O)C1)C1(C)CCCC1
365631866	ZINC000336549784	high	3.68	-10.41	0	259.415	2.076	0	3	3	CN(C[C@H]1CCCS(=O)(=O)C1)C1(C)CCCC1
365631870	ZINC000336549998	ref	2.51	-8.03	0	289.422	2.156	1	4	4	CCc1ccc(S(=O)(=O)N[C@]2(C)CCO[C@H]2C)s1
230724755	ZINC000414275783	ref	7.63	-17.22	0	307.459	3.111	1	2	8	CCCC[S@](=O)CC(=O)N[C@H](c1ccc(C)cc1)C1CC1
365631881	ZINC000336549658	ref	8.94	-40.99	1	262.397	2.119	1	1	2	C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H]1C1CC1)CC2
365631890	ZINC000336549658	mid	8.94	-40.59	1	262.397	2.119	1	1	2	C[N@H+]1CCCC12CCN(C(=O)[C@@H]1C[C@H]1C1CC1)CC2
365631897	ZINC000336549429	ref	5.46	-12.79	0	271.324	2.187	2	4	3	C[C@@H]1CC[C@H]1NC(=O)Nc1ccc(-n2cccn2)nc1
365631902	ZINC000336549283	ref	4.99	-13.19	0	276.327	2.242	1	2	3	COC[C@H]1CCN(C(=O)N[C@@H]2CCCC(F)(F)C2)C1
398248181	ZINC000625698644	ref	8.54	-8.06	0	243.35	3.179	1	1	5	C=CC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1
365631908	ZINC000336549903	ref	6.01	-7.38	0	279.771	2.456	0	4	2	C[C@H]1COCCN(Cc2cn3cc(Cl)ccc3n2)C1
365631913	ZINC000336549903	mid	9.04	-36.7	1	279.771	2.456	1	3	2	C[C@H]1COCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1
230744795	ZINC000450486106	ref	5.1	-14.02	0	317.385	1.974	0	4	5	COC[C@]1(C(=O)N2CC=C(c3cccc(OC)c3)C2)CCOC1
398248183	ZINC000076842771	ref	5.1	-46.84	-1	221.256	1.62	0	3	3	CCO[N-]C(=O)[C@H]1CCOc2ccccc21
365631921	ZINC000336549903	mid	7.94	-38.06	1	279.771	2.456	1	3	2	C[C@H]1COCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1
349534375	ZINC000594967913	mid	8.59	-6.88	0	262.353	2.562	1	4	5	CCc1ccc(C)nc1N[C@H](C)[C@@H]1C[C@H]1C(=O)OC
365631927	ZINC000336549364	ref	7.17	-7.8	0	261.35	2.233	1	4	3	Cc1c(C(=O)N[C@@H]2C[C@H]2C2CC2)sc2nccn12
214183365	ZINC000293541456	ref	1.54	-15.01	0	356.448	0.897	3	6	9	CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ncc(COC)s1
349534376	ZINC000602429085	ref	4.22	-44.31	1	221.304	0.796	2	2	5	CC[NH2+]CCNC(=O)C1(C#N)CC2(CC2)C1
214183369	ZINC000293555605	ref	2.99	-15.49	0	366.487	0.654	1	4	6	CCCNS(=O)(=O)N1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1
214183373	ZINC000293555455	ref	2.4	-14.88	0	361.445	0.474	2	6	7	CCCNS(=O)(=O)N[C@H]1CCN(c2sccc2C(=O)OC)C1=O
214183376	ZINC000293555455	high	3.32	-57.86	-1	361.445	0.474	1	6	7	CCCNS(=O)(=O)[N-][C@H]1CCN(c2sccc2C(=O)OC)C1=O
214183378	ZINC000293545265	ref	5.91	-52.55	1	362.409	0.78	3	5	7	CC[N@H+](C)CCNC(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C
214183382	ZINC000293545265	mid	5.89	-52.48	1	362.409	0.78	3	5	7	CC[N@@H+](C)CCNC(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C
214183385	ZINC000293545265	high	3.58	-18.89	0	362.409	0.78	2	6	7	CCN(C)CCNC(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C
214183388	ZINC000293551044	ref	-0.24	-13.33	0	365.386	0.343	3	6	5	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCC[C@@H](OCCO)C2)c1
214183393	ZINC000293552732	ref	1.19	-23.8	0	367.427	0.711	2	5	2	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[S@](=O)[C@@H](C)[C@H]2C)c1
214183397	ZINC000293545197	ref	1.26	-12.02	0	367.427	0.313	2	5	6	CCOC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)C1
214183401	ZINC000293546186	ref	1.67	-15.11	0	357.48	0.274	1	6	6	CC(C)C[C@H]1C(=O)NCCCN1Cc1nccn1S(=O)(=O)N(C)C
342087930	ZINC000625368298	mid	4.62	-37.42	1	297.37	1.986	2	3	6	CO[C@@H](C[N@@H+](C)C1(CO)CCOCC1)c1ccc(F)cc1
214183407	ZINC000293541649	ref	1.58	-14.01	0	371.484	0.874	2	5	4	CSC[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1
214183411	ZINC000293549785	ref	1.0	-19.39	0	370.427	0.426	1	6	6	CCOC1CN(C(=O)C(=O)Nc2cc(CS(C)(=O)=O)ccc2OC)C1
214183415	ZINC000293548376	ref	0.48	-14.9	0	355.416	0.089	2	5	5	CCOC1CN(C(=O)C(=O)Nc2cc(S(=O)(=O)NC)ccc2C)C1
214183419	ZINC000293545384	ref	7.01	-29.86	0	353.423	0.847	1	7	6	Cn1cnnc1COCC(=O)NC[C@@H]1CCCN1C(=O)OC(C)(C)C
214183428	ZINC000293542055	ref	4.14	-10.86	0	354.407	0.713	2	7	8	CCO[C@@H](CCNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C)C(C)C
214183431	ZINC000293555635	ref	0.91	-24.11	0	355.46	0.905	3	4	7	CNC(=O)NCCC(=O)N[C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O
342087931	ZINC000600314742	ref	7.09	-40.11	1	258.431	1.976	2	2	5	CS[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+](C)C1
365631832	ZINC000617415156	ref	4.93	-45.48	1	269.389	0.748	3	2	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1
365631839	ZINC000617415156	mid	4.41	-44.59	1	269.389	0.748	3	2	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCC[N@@H+](C)C1
365631846	ZINC000617415156	mid	2.05	-8.73	0	269.389	0.748	2	3	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1CCCN(C)C1
365631854	ZINC000617414177	ref	4.39	-46.26	1	253.346	0.065	2	2	2	CN1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1=O
342594751	ZINC000590770492	low	10.39	-38.3	1	283.339	1.401	0	6	2	Cn1cnc2c(N3CCC[C@@H](n4cc[nH+]c4)C3)ncnc21
230724749	ZINC000450375147	ref	3.44	-18.35	0	314.451	1.663	1	3	6	C=CCC1(C(=O)N2CC[C@@H](S(=O)(=O)NCC)C2)CCCC1
342594752	ZINC000616962385	ref	3.38	-18.05	0	296.33	1.07	2	4	3	Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1CCNC1=O
342594753	ZINC000590771107	ref	7.91	-15.2	0	289.331	1.863	0	4	5	COC(=O)COc1ccc(C(=O)N2CC[C@H]2C2CC2)cc1
365631859	ZINC000617414177	mid	4.92	-47.58	1	253.346	0.065	2	2	2	CN1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](C)C2)CC1=O
187168751	ZINC000125086629	high	5.3	-4.96	0	260.381	2.423	1	2	5	CC[C@H]1CCN([C@@H](C)C(=O)NCc2ccccc2)C1
365631864	ZINC000617414177	high	2.02	-11.45	0	253.346	0.065	1	3	2	CN1CCC[C@@H](NC(=O)[C@H]2CCN(C)C(=O)C2)C1
342594754	ZINC000616962479	ref	3.35	-19.22	0	276.361	1.022	2	3	2	O=C(N[C@@H]1CCNC1=O)[C@H]1SCCc2ccccc21
187168752	ZINC000125086337	ref	4.55	-17.42	0	290.279	1.068	2	5	3	O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1CO
365631872	ZINC000617411195	ref	2.35	-50.12	1	290.367	0.679	4	2	4	C[N@@H+]1CCC[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1
342594755	ZINC000590771521	ref	4.38	-13.49	0	251.351	1.952	1	2	4	C[C@@H](NC(=O)c1cccc([S@](C)=O)c1)C1CC1
282121935	ZINC000373958468	ref	5.45	-45.35	1	306.414	0.685	3	4	4	Cc1nc2n(n1)C[C@H](NC(=O)NC1(C[NH+](C)C)CCC1)CC2
282121936	ZINC000373958468	high	2.83	-15.15	0	306.414	0.685	2	5	4	Cc1nc2n(n1)C[C@H](NC(=O)NC1(CN(C)C)CCC1)CC2
282952289	ZINC000451292734	ref	2.01	-12.72	0	277.43	2.037	2	3	8	C[C@H](CCCO)NS(=O)(=O)CCC1CCCCC1
192339496	ZINC000421440328	ref	5.94	-10.02	0	249.285	2.251	1	2	4	COc1ccc(CNC(=O)[C@@H]2CC23CC3)cc1F
365631879	ZINC000617411195	mid	2.88	-53.26	1	290.367	0.679	4	2	4	C[N@H+]1CCC[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1
365631885	ZINC000617411195	mid	-0.01	-14.7	0	290.367	0.679	3	3	4	CN1CCC[C@H](NC(=O)c2ccc(CNC(N)=O)cc2)C1
365631896	ZINC000617414846	ref	5.85	-48.81	1	281.4	0.844	2	2	2	C[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1
214183367	ZINC000278482974	low	7.88	-51.81	1	317.368	1.65	1	5	4	COc1ccnc(N2CC[NH+](Cc3ccc(F)nc3C)CC2)n1
214183371	ZINC000278483166	ref	7.72	-21.68	0	315.435	2.497	1	4	9	CC(=O)CSCC(=O)NCCSCc1ccccc1F
214183374	ZINC000278484471	ref	4.88	-43.35	1	304.39	1.671	2	3	8	CC(C)(CCCO)C[NH2+]CCN1C(=O)c2ccccc2C1=O
214183377	ZINC000278482794	ref	3.88	-20.13	0	322.39	1.313	0	7	5	CCn1c(-c2ccncc2)nnc1S(=O)(=O)C[C@@H]1CCCO1
214183380	ZINC000278483506	ref	3.22	-12.31	0	323.386	1.496	0	3	2	C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC[S@]1=O
214183384	ZINC000278483431	ref	1.59	-18.35	0	305.334	1.577	3	6	7	COc1cc(CCO)ccc1NCC(=O)Nc1cc(C)no1
178305294	ZINC000237273799	ref	6.53	-57.35	1	373.457	1.8	1	6	6	COc1cc(C)c(CN(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1OC
342087932	ZINC000600314742	mid	7.09	-40.11	1	258.431	1.976	2	2	5	CS[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342087933	ZINC000609039110	ref	8.06	-50.09	1	250.302	1.52	1	4	3	C[NH+](C)[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1
214183395	ZINC000278484356	ref	9.97	-53.06	1	301.459	3.495	2	2	3	c1ccc2[nH]c(C3CC[NH+](C[C@H]4CCSC4)CC3)nc2c1
214183399	ZINC000278483870	ref	2.58	-14.0	0	308.304	2.197	2	4	6	CC[C@@H](C)[C@@H](NC(=O)NCCc1nc(C)no1)C(F)(F)F
214183402	ZINC000278483244	ref	3.06	-16.08	0	304.354	1.144	1	8	6	O=c1n(CCCNc2nnc(C3CC3)o2)nc2n1CCCC2
214183406	ZINC000278484623	ref	5.79	-36.91	1	321.808	2.021	3	2	5	O=C(CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)Nc1ccc(Cl)cc1
214183409	ZINC000278484623	mid	6.46	-35.17	1	321.808	2.021	3	2	5	O=C(CNC(=O)[C@@H]1CCC[N@H+]1C1CC1)Nc1ccc(Cl)cc1
214183410	ZINC000278484623	mid	3.55	-8.42	0	321.808	2.021	2	3	5	O=C(CNC(=O)[C@@H]1CCCN1C1CC1)Nc1ccc(Cl)cc1
214183413	ZINC000278484704	ref	8.0	-13.75	0	320.408	2.726	1	3	4	CC1(C)CC[C@@H](C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)O1
214183417	ZINC000278484407	ref	7.77	-13.1	0	301.72	3.026	0	2	3	O=C(c1ccc(Cl)cc1)C1CCN(C(=O)C(F)F)CC1
168365959	ZINC000042461954	ref	0.11	-43.15	1	186.299	0.833	1	2	2	C[C@@H]([NH3+])[C@@H](C)N1CCOCC1(C)C
214183421	ZINC000278483205	ref	2.67	-12.31	0	304.272	1.074	2	4	3	O=C(NCc1cccnn1)N1CCC[C@@H]1[C@H](O)C(F)(F)F
214183423	ZINC000278483108	ref	4.98	-11.0	0	323.412	3.018	1	4	3	Cc1nc(F)ccc1CN1CCC[C@@H](NC(=O)OC(C)(C)C)C1
349534377	ZINC000594967510	ref	6.52	-41.51	1	295.448	2.865	1	2	6	CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1
365631871	ZINC000354698358	mid	8.39	-45.31	1	270.442	1.93	1	2	5	CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCSC2)C1
178300035	ZINC000237153500	ref	6.44	-96.17	2	374.464	1.683	3	4	6	Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)nnn1C1CC[NH2+]CC1
365631880	ZINC000354699359	ref	8.19	-41.19	1	292.423	1.746	0	3	2	C[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1N1CCOCC1
190493264	ZINC000269423728	ref	8.0	-12.9	0	285.347	2.189	0	4	5	CN(C)c1ccccc1N(C)C(=O)COc1cccnc1
365631888	ZINC000354699359	low	8.19	-41.19	1	292.423	1.746	1	2	2	C[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1[NH+]1CCOCC1
365631899	ZINC000354698703	ref	5.02	-12.32	0	261.31	1.806	1	7	4	COc1ccnc(NCc2cn3ccsc3n2)n1
282121939	ZINC000138621979	ref	8.0	-17.66	0	347.369	1.947	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3c(F)cc(F)cc3C1)CC2
282121941	ZINC000283743386	ref	7.61	-18.8	0	315.352	1.813	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3cc(F)ccc31)CC2
365631910	ZINC000354699739	ref	7.04	-45.0	1	298.333	1.862	2	2	6	C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COC(F)F
178300038	ZINC000237153500	mid	3.91	-52.74	1	374.464	1.683	2	5	6	Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)nnn1C1CC[NH2+]CC1
365631920	ZINC000354699739	mid	4.35	-10.17	0	298.333	1.862	2	2	6	C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COC(F)F
178300039	ZINC000237140261	ref	3.16	-53.28	1	355.435	1.137	3	3	5	CCNS(=O)(=O)c1ccc(F)c(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
178300042	ZINC000237148008	ref	3.34	-65.56	1	352.378	1.426	1	3	6	CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O
365631931	ZINC000354699739	high	4.35	-10.17	0	298.333	1.862	1	3	6	C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COC(F)F
365631939	ZINC000354697863	ref	4.43	-12.94	0	259.313	1.417	2	6	2	C[C@H]1C[C@@H](Nc2ncnc3nc(N)ccc23)CCO1
365631952	ZINC000354697896	ref	7.24	-8.48	0	288.395	1.686	0	5	4	CN(C)c1ncc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cn1
214183396	ZINC000337617269	mid	8.4	-37.02	1	292.342	3.082	1	3	4	CCc1ccc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc1
214183398	ZINC000337616954	ref	6.69	-8.6	0	298.321	2.344	1	5	5	COCc1cc(CNc2ncnc3ccncc23)ccc1F
365631959	ZINC000354697896	low	10.0	-40.58	1	288.395	1.686	1	4	4	CN(C)c1ncc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1
365631970	ZINC000354697896	low	9.36	-36.5	1	288.395	1.686	1	4	4	CN(C)c1ncc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1
365631895	ZINC000623063199	mid	4.42	-49.2	1	313.357	1.379	2	3	4	COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)C(=O)c1ccc[nH]1
365631901	ZINC000623061374	ref	4.53	-53.88	1	321.425	1.383	2	4	5	COCCn1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1
365631911	ZINC000623061521	ref	4.21	-22.57	0	316.345	1.211	0	3	5	CCN(CCC(F)(F)F)C(=O)[C@@H]1CCCN1S(C)(=O)=O
178300036	ZINC000335766781	mid	0.74	-15.78	0	205.217	0.802	3	3	2	Cc1cc2[nH]ncc2cc1NC(=O)CO
178300040	ZINC000253534721	ref	5.81	-42.49	-1	249.339	3.223	1	3	1	Cc1cc2[n-]c(=S)n(C3CCCC3)c(=O)c2[nH]1
365631923	ZINC000623061427	ref	4.05	-58.04	1	300.362	1.123	2	3	2	CC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC[C@@H]1[NH3+]
365631933	ZINC000623061427	mid	2.98	-81.77	0	300.362	1.123	1	3	2	CC[C@H]1CN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC[C@@H]1[NH3+]
365631941	ZINC000623063473	ref	3.04	-60.26	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC
365631950	ZINC000623061617	ref	6.33	-44.32	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cn1
178300047	ZINC000253534721	mid	6.27	-9.83	0	249.339	3.223	2	3	1	Cc1cc2[nH]c(=S)n(C3CCCC3)c(=O)c2[nH]1
178300051	ZINC000226775006	ref	6.69	-36.08	1	239.298	2.936	0	2	1	Cc1cc2nc(-c3cc[n+](C)cc3)oc2cc1C
365631960	ZINC000623061635	ref	3.27	-56.05	1	300.362	1.17	3	3	4	[NH3+]C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)C1CCCC1
178300055	ZINC000002537053	ref	4.33	-12.06	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@@H](C(F)F)C[C@H](C)N2
178300059	ZINC000048356734	ref	6.19	-11.05	0	212.252	3.44	1	2	1	Cc1cc2nc(-c3ccoc3)[nH]c2cc1C
365631968	ZINC000623061635	mid	2.21	-70.16	0	300.362	1.17	2	3	4	[NH3+]C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)C1CCCC1
398248182	ZINC000645409739	ref	-1.94	-18.82	0	242.283	-1.177	3	6	6	CC[C@@H](O)CNC(=O)NCCc1nnnn1C
398248186	ZINC000286214337	ref	1.47	-12.51	0	204.295	0.073	1	3	6	CSCCC(=O)N(C)CCC(N)=O
365631979	ZINC000623062066	ref	2.66	-38.42	1	302.197	1.469	1	3	2	[NH3+]CC12CC(CN1C(=O)c1ncc(Br)s1)C2
178300075	ZINC000062946711	ref	4.35	-9.32	0	238.294	2.824	2	3	1	Cc1cc2nc(-c3cncc(N)c3)[nH]c2cc1C
178300082	ZINC000041229538	ref	6.93	-48.88	-1	217.228	1.613	0	5	2	Cc1cc2nc(C(=O)[O-])cc(C3CC3)n2n1
178300087	ZINC000062533397	ref	6.84	-11.86	0	241.265	4.251	0	2	1	Cc1cc2nc(-c3ccccc3F)oc2cc1C
349534378	ZINC000602429752	ref	5.51	-43.2	1	249.358	1.575	2	2	6	CC(C)[NH2+]CCCNC(=O)C1(C#N)CC2(CC2)C1
398248193	ZINC000442705839	ref	3.08	-15.35	0	245.319	0.269	1	4	7	COCCCOCC(=O)N1CC[C@H](C)[C@H]1CO
343993688	ZINC000599271109	high	4.75	-7.81	0	285.384	1.457	0	5	6	COC(=O)CC1CCN(CCOC2CCOCC2)CC1
214183400	ZINC000337619412	ref	8.08	-11.23	0	298.39	3.422	1	4	4	C[C@H]1CCC[C@@H](CC(=O)Nc2cnccc2-n2cccn2)C1
342087934	ZINC000609039376	ref	6.19	-52.75	1	280.328	1.512	2	5	7	COCC[N@@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-]
214183403	ZINC000337619412	mid	8.54	-35.66	1	298.39	3.422	1	3	4	C[C@H]1CCC[C@@H](CC(=O)Nc2c[nH+]ccc2-n2cccn2)C1
214183405	ZINC000337615966	ref	4.38	-14.04	0	281.36	0.743	2	5	5	CCn1cnnc1CNC(=O)N1CCC[C@@H]1C[C@H](C)O
214183408	ZINC000337617477	ref	1.54	-11.35	0	296.367	2.151	3	4	6	COc1cc(NC(=O)N[C@H](CO)C(C)C)c(C)c(OC)c1
432002721	ZINC000129209532	ref	9.01	-10.19	0	316.445	3.199	1	2	3	Cc1cc(C)cc(C[C@@H](C)NC(=O)N2CCOC3(CCC3)C2)c1
398248184	ZINC000650869713	ref	2.89	-10.56	0	290.367	1.395	2	4	4	CC1(C)C[C@@H]1CNC(=O)NCc1ncc2c(n1)CCOC2
214183416	ZINC000337618337	ref	6.07	-15.55	0	286.375	2.015	2	2	4	CC[C@@H]1C[C@@]1(NC(=O)[C@H]1CCC(=O)N1)c1cccc(C)c1
214183418	ZINC000337620265	ref	8.49	-12.9	0	277.372	2.161	2	4	5	Cc1cc(N(C)C)nc(NC(=O)N[C@@H](C)CC2CC2)n1
214183420	ZINC000337619875	ref	5.2	-20.94	0	285.328	2.097	1	5	3	O=C(Cn1ccccc1=O)Nc1ccc2scnc2c1
214183422	ZINC000337615724	ref	0.12	-41.02	-1	288.311	0.079	3	5	6	O=C(NCc1n[nH]c(=O)[n-]1)c1ccc(NCC2CC2)nc1
214183424	ZINC000337615724	low	1.26	-12.27	0	288.311	0.079	4	5	6	O=C(NCc1n[nH]c(=O)[nH]1)c1ccc(NCC2CC2)nc1
214183427	ZINC000337615902	ref	0.84	-12.03	0	296.367	2.295	3	4	6	COc1cc(NC(=O)NC(C)(C)CCO)c(C)c(OC)c1
214183432	ZINC000337616162	ref	6.34	-8.7	0	283.318	3.103	1	2	6	CC[C@H](C(=O)NC1(C(F)F)CC1)c1ccc(OC)cc1
137823022	ZINC000408014042	ref	3.18	-19.17	0	268.357	0.761	1	3	4	CC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]1CCCO
214183435	ZINC000337618006	ref	5.92	-42.87	1	281.425	2.031	3	2	6	CC(C)(CNC(=O)NCC[NH+]1CCC1)c1cccs1
214183437	ZINC000337618006	mid	2.74	-10.75	0	281.425	2.031	2	3	6	CC(C)(CNC(=O)NCCN1CCC1)c1cccs1
214183439	ZINC000337618790	ref	7.5	-12.21	0	295.224	2.329	2	4	2	O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccc2nccn2c1
342087935	ZINC000609039376	mid	6.71	-46.27	1	280.328	1.512	2	5	7	COCC[N@H+]1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-]
342087936	ZINC000609039376	high	3.85	-14.27	0	280.328	1.512	1	6	7	COCCN1CCC[C@@H]1CNc1cccnc1[N+](=O)[O-]
342087937	ZINC000046800606	ref	3.19	-9.32	0	271.338	1.225	1	4	4	COC(=O)C(C)(C)NS(=O)(=O)c1cccc(C)c1
365631903	ZINC000617414846	mid	6.39	-50.95	1	281.4	0.844	2	2	2	C[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1
365631909	ZINC000617414846	high	3.51	-14.0	0	281.4	0.844	1	3	2	CN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)C1
197591317	ZINC000162783151	ref	6.98	-13.23	0	301.39	2.891	1	4	5	Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(N(C)C)c1
365631917	ZINC000617411882	ref	3.03	-13.18	0	257.33	0.866	1	4	6	C[C@@H](OC[C@H]1CCCO1)C(=O)NC[C@@H]1CCCO1
365631926	ZINC000617413600	ref	5.84	-46.69	1	289.379	0.556	3	2	5	C[N@@H+]1CCC[C@@H](NC(=O)CNC(=O)Cc2ccccc2)C1
365631934	ZINC000617413600	mid	5.3	-45.72	1	289.379	0.556	3	2	5	C[N@H+]1CCC[C@@H](NC(=O)CNC(=O)Cc2ccccc2)C1
365631940	ZINC000617413600	high	2.94	-10.6	0	289.379	0.556	2	3	5	CN1CCC[C@@H](NC(=O)CNC(=O)Cc2ccccc2)C1
282121940	ZINC000113514966	ref	2.93	-100.59	2	271.405	-0.437	3	3	6	C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1
282121942	ZINC000113514966	mid	2.62	-100.68	2	271.405	-0.437	3	3	6	C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1
282121943	ZINC000113514966	mid	0.1	-37.19	1	271.405	-0.437	2	4	6	C[NH+](C)C[C@@H]1CCN(C[C@H](O)CN2CCOCC2)C1
365631948	ZINC000617413191	ref	4.69	-45.04	1	293.342	0.766	3	2	4	C[N@@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1
365631956	ZINC000617413191	mid	5.22	-46.21	1	293.342	0.766	3	2	4	C[N@H+]1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1
365631963	ZINC000617413191	high	2.33	-9.14	0	293.342	0.766	2	3	4	CN1CCC[C@H](NC(=O)CNC(=O)c2ccc(F)cc2)C1
342594756	ZINC000616962413	ref	3.8	-17.19	0	274.364	1.749	2	2	5	CCC(CC)(C(=O)N[C@H]1CCNC1=O)c1ccccc1
185087451	ZINC000096070662	ref	7.5	-12.74	0	277.339	2.394	0	2	2	C[C@@H]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@H]2O1
282121944	ZINC000113514966	high	0.49	-38.95	1	271.405	-0.437	2	4	6	CN(C)C[C@@H]1CC[N@H+](C[C@H](O)CN2CCOCC2)C1
282121945	ZINC000113514966	high	0.21	-38.76	1	271.405	-0.437	2	4	6	CN(C)C[C@@H]1CC[N@@H+](C[C@H](O)CN2CCOCC2)C1
282121947	ZINC000114199088	ref	4.16	-42.08	1	279.359	1.236	2	2	5	C[NH+](C)C[C@@H]1CCN([C@H](C(N)=O)c2ccc(F)cc2)C1
365631972	ZINC000617414804	ref	5.05	-50.77	1	259.313	0.553	2	4	2	C[N@@H+]1CCC[C@H](NC(=O)c2cnn3cccnc23)C1
230724806	ZINC000425417027	ref	5.87	-18.91	0	316.405	2.177	2	3	7	CCCNC(=O)CCNC(=O)N(C)[C@@H](C)c1cccc(C#N)c1
365631978	ZINC000617414804	mid	5.58	-52.97	1	259.313	0.553	2	4	2	C[N@H+]1CCC[C@H](NC(=O)c2cnn3cccnc23)C1
282121948	ZINC000450410508	ref	9.88	-99.85	2	260.372	2.695	2	0	4	C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1
398248185	ZINC000076842771	mid	5.14	-12.79	0	221.256	1.62	1	3	3	CCONC(=O)[C@H]1CCOc2ccccc21
361823296	ZINC000351631600	ref	6.08	-44.51	1	263.385	1.927	2	3	6	C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](c2ccnn2C)C1
361823308	ZINC000351631600	mid	5.61	-44.03	1	263.385	1.927	2	3	6	C=CCC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccnn2C)C1
342594757	ZINC000590770803	ref	3.05	-5.88	0	294.374	1.268	1	5	2	Cc1nc(C)c(F)c(N2CCN([C@H]3CCC[C@H]3O)CC2)n1
187168753	ZINC000125086337	mid	2.89	-12.66	0	290.279	1.068	2	5	3	O=C(c1[nH]nc2ccc([N+](=O)[O-])cc12)N1CCC[C@H]1CO
349534379	ZINC000594967510	high	5.69	-13.36	0	295.448	2.865	1	3	6	CCOc1ccccc1CN[C@@H]1CCC[C@@H]([S@](C)=O)C1
349534380	ZINC000594967488	ref	5.8	-47.46	1	257.443	2.844	1	1	3	CC1CCC([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CC1
361823314	ZINC000351631471	ref	5.3	-43.32	1	295.383	1.216	3	4	7	Cc1cc(NC(=O)CC[N@@H+](CCO)[C@@H]2CC[C@H](C)C2)no1
214183425	ZINC000278483108	low	7.45	-54.63	1	323.412	3.018	2	3	3	Cc1nc(F)ccc1C[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
361823324	ZINC000351631471	mid	4.97	-42.24	1	295.383	1.216	3	4	7	Cc1cc(NC(=O)CC[N@H+](CCO)[C@@H]2CC[C@H](C)C2)no1
361823328	ZINC000351630814	ref	3.69	-8.83	0	296.411	1.126	0	4	4	O=C(C[C@@H]1CCOC1)N1CCCC[C@H]1CN1CCOCC1
361823335	ZINC000351630814	mid	5.66	-33.9	1	296.411	1.126	1	3	4	O=C(C[C@@H]1CCOC1)N1CCCC[C@H]1C[NH+]1CCOCC1
361823345	ZINC000351629937	ref	6.88	-10.69	0	291.347	1.786	0	4	5	COC(=O)[C@H](c1ccccc1)N(C)C(=O)C[C@H]1CCOC1
361823353	ZINC000351630971	ref	1.93	-8.76	0	284.4	1.349	3	3	7	CC[C@](C)(CCO)NC(=O)[C@H](C)NC(=O)C1CCCC1
361823357	ZINC000351631283	ref	3.32	-17.56	0	282.303	1.421	3	4	4	O=C(N[C@H](CO)c1ccccc1)c1ccnc2[nH]cnc12
361823364	ZINC000351630090	ref	3.05	-14.5	0	256.269	1.172	3	4	3	C[C@H](NC(=O)c1cccc2n[nH]cc12)c1nc[nH]n1
361823367	ZINC000351630090	mid	3.55	-14.78	0	256.269	1.172	3	4	3	C[C@H](NC(=O)c1cccc2n[nH]cc12)c1nnc[nH]1
361823374	ZINC000351630760	ref	8.44	-36.72	1	274.368	1.712	2	4	5	C[C@H]1CC[C@@H]([N@H+](CCO)Cc2cn3cccnc3n2)C1
361823378	ZINC000351630760	mid	7.87	-36.24	1	274.368	1.712	2	4	5	C[C@H]1CC[C@@H]([N@@H+](CCO)Cc2cn3cccnc3n2)C1
361823385	ZINC000351630760	high	5.94	-15.4	0	274.368	1.712	1	5	5	C[C@H]1CC[C@@H](N(CCO)Cc2cn3cccnc3n2)C1
361823393	ZINC000351630889	ref	2.22	-9.7	0	278.337	1.211	1	6	3	COC(=O)c1sccc1CN1CCc2nn[nH]c2C1
361823398	ZINC000351630889	mid	2.23	-9.57	0	278.337	1.211	1	6	3	COC(=O)c1sccc1CN1CCc2n[nH]nc2C1
365631907	ZINC000625063792	ref	9.48	-12.99	0	312.413	2.008	0	2	3	Cc1ccc(CC(=O)N2CCN(C(=O)C34CC(C3)C4)CC2)cc1
342594758	ZINC000590770803	mid	5.07	-34.03	1	294.374	1.268	2	4	2	Cc1nc(C)c(F)c(N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)n1
230724813	ZINC000425420561	ref	8.23	-17.42	0	301.321	2.338	1	4	4	Cn1ccnc1C(=O)c1ccc(NC(=O)[C@]2(C)C[C@@H]2F)cc1
342594759	ZINC000616962481	ref	3.35	-17.99	0	276.361	1.022	2	3	2	O=C1NCC[C@@H]1NC(=O)[C@H]1SCCc2ccccc21
365631918	ZINC000625066466	ref	1.57	-9.51	0	306.431	2.394	2	5	6	CN(Cc1nc2ccccc2s1)C[C@@H](O)CC1(O)CCC1
222608371	ZINC000291776442	ref	5.1	-13.54	0	306.362	2.24	2	4	3	CCOC(=O)c1ccc(NC(=O)N2CC[C@H](O)C[C@@H]2C)cc1
365631924	ZINC000625066466	mid	4.0	-39.49	1	306.431	2.394	3	4	6	C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)CC1(O)CCC1
342594760	ZINC000590770482	ref	11.91	-15.49	0	283.339	1.471	0	7	2	Cc1cc(N2CCC[C@@H](n3ccnc3)C2)n2ncnc2n1
365631929	ZINC000625066466	mid	3.76	-39.87	1	306.431	2.394	3	4	6	C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)CC1(O)CCC1
230724820	ZINC000425419157	ref	5.63	-14.89	0	303.366	2.287	1	5	3	Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H](n3ccnn3)C2)o1
342594761	ZINC000590770482	low	12.62	-49.59	1	283.339	1.471	0	6	2	Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)n2ncnc2n1
365631936	ZINC000625064980	ref	6.23	-11.84	0	301.358	2.321	0	2	4	O=S(=O)(CCc1c(F)cccc1F)N1C[C@H]2CCC[C@H]21
365631944	ZINC000625066693	ref	6.29	-11.0	0	314.389	2.416	1	5	5	CNc1cnc(C(=O)N(C)Cc2cc(C)c(OC)c(C)c2)cn1
282121946	ZINC000332821019	ref	7.81	-55.72	1	332.452	1.17	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]([NH+]3CCCC3)C[C@H]1C)CC2
187168754	ZINC000125089637	ref	5.76	-8.94	0	285.347	2.455	2	3	4	CCc1n[nH]c(=O)c(C(=O)Nc2ccc(C)cc2)c1CC
282121949	ZINC000171038998	ref	6.73	-50.61	1	320.441	1.075	3	4	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)C[NH+]1CCCCC1)CC2
282121950	ZINC000171038998	high	4.31	-14.88	0	320.441	1.075	2	5	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H](C)CN1CCCCC1)CC2
282121952	ZINC000171085764	ref	8.13	-18.37	0	311.389	2.235	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@H](C)c3ccccc31)CC2
342594762	ZINC000590770620	ref	5.35	-37.02	1	288.395	1.001	2	4	2	O[C@H]1CCC[C@H]1[NH+]1CCN(c2cc3c(nn2)CCC3)CC1
342594763	ZINC000590770620	mid	3.31	-10.02	0	288.395	1.001	1	5	2	O[C@H]1CCC[C@H]1N1CCN(c2cc3c(nn2)CCC3)CC1
342087938	ZINC000622702274	ref	3.98	-15.61	0	278.327	1.572	2	2	5	C[C@@H](CC(=O)NC[C@H]1CNC(=O)C1)c1cccc(F)c1
398248187	ZINC000650869135	ref	2.56	-13.37	0	290.285	1.527	3	2	7	O=C(NCCc1cccc(F)c1F)N[C@@H](CO)CCF
342087939	ZINC000622702204	ref	1.1	-14.47	0	267.354	1.132	2	4	4	CC(C)c1ncsc1C(=O)NC[C@@H]1CNC(=O)C1
365631912	ZINC000576584941	ref	4.77	-187.23	3	225.38	1.045	2	1	3	C[C@H]([NH3+])[C@@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1
365631916	ZINC000576584941	mid	4.31	-202.01	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1
365631922	ZINC000576584941	mid	4.31	-202.01	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1
365631932	ZINC000576586156	ref	5.9	-45.11	-1	248.286	1.51	1	4	3	Cc1co[nH]c1=NC(=O)c1ccnn1CC(C)C
365631943	ZINC000576586156	high	5.9	-45.11	-1	248.286	1.51	0	4	3	Cc1co[n-]c1=NC(=O)c1ccnn1CC(C)C
365631954	ZINC000576586925	ref	6.25	-52.7	-1	233.333	1.307	0	4	6	CC[C@H](SC)C(=O)N(C)C[C@@H](C)C(=O)[O-]
365631964	ZINC000576586360	ref	5.06	-33.89	1	242.338	1.771	2	1	2	C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@H](F)C1
365631973	ZINC000576587026	ref	0.04	-126.12	-2	239.275	1.247	0	5	3	Cc1n[n-]c(=NCC2(C(=O)[O-])CCCCC2)o1
365631987	ZINC000576594717	ref	2.71	-16.5	0	242.275	-0.325	1	4	5	CCO[C@@H](CC)C(=O)N[C@@H]1CC(=O)N(C)C1=O
365631999	ZINC000576586357	ref	5.0	-34.72	1	242.338	1.771	2	1	2	C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CCC[C@@H](F)C1
365632009	ZINC000576586359	ref	5.06	-33.7	1	242.338	1.771	2	1	2	C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CCC[C@@H](F)C1
230724842	ZINC000450375031	ref	10.68	-50.84	1	302.426	1.716	2	5	6	CC(C)CC[NH+]1CCC(CNc2ccc3nncn3n2)CC1
342088650	ZINC000121537418	ref	8.17	-21.85	0	282.347	1.884	1	4	4	Cn1cncc1CCNC(=O)c1cn(C)c2ccccc12
365632017	ZINC000576594716	ref	2.65	-16.67	0	242.275	-0.325	1	4	5	CCO[C@H](CC)C(=O)N[C@H]1CC(=O)N(C)C1=O
365632027	ZINC000576586881	ref	4.35	-13.83	0	211.277	1.552	1	2	6	CC(C)SCC(=O)NC(CF)CF
398248190	ZINC000650870458	ref	5.53	-38.25	1	269.389	1.15	2	2	5	CN(CC[NH+]1CCCCC1)C(=O)NCC1(C)COC1
365632037	ZINC000576586308	ref	1.75	-16.02	0	224.304	1.115	2	2	4	CC1=C(C)C[C@@H](C(=O)NCCC(N)=O)CC1
365632047	ZINC000576585891	ref	3.53	-41.78	1	240.347	0.775	2	2	6	C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCOCC1CCC1
365632055	ZINC000576585004	ref	0.9	-52.7	1	243.307	-1.041	2	4	6	C[NH2+]CCCN1CCNC(=O)[C@H]1CC(=O)OC
365632067	ZINC000576587269	ref	-2.43	-50.2	-1	242.231	-0.041	1	7	3	C[C@@H](O)[C@@H]1CN(c2nc(C(=O)[O-])co2)CCO1
365632075	ZINC000175964734	ref	1.95	-9.02	0	241.331	1.224	2	3	3	O=C(NCC1CCOCC1)C1(O)CCCCC1
282121951	ZINC000450410508	mid	9.9	-100.4	2	260.372	2.695	2	0	4	C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1
282121953	ZINC000450410508	mid	7.43	-36.52	1	260.372	2.695	1	1	4	CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCCC2(F)F)C1
342600492	ZINC000616999730	ref	6.35	-40.57	1	268.401	1.792	2	2	4	COC1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC1
178300044	ZINC000237148008	mid	3.03	-18.05	0	352.378	1.426	1	4	6	CN(Cc1ccccc1C(F)(F)F)C(=O)[C@@H](N)CCS(C)(=O)=O
187168755	ZINC000125086655	ref	7.78	-7.66	0	293.432	3.404	1	3	7	CC[C@H](SC)C(=O)N[C@H](c1ccc(OC)cc1)C1CC1
365631915	ZINC000172886095	ref	5.36	-10.43	0	273.336	1.926	1	4	5	Cc1ccccc1O[C@H](C)CNC(=O)c1cnn(C)c1
365631930	ZINC000172886371	ref	4.23	-13.14	0	280.324	1.372	1	5	6	CCOC(=O)CNc1cc(C(=O)N(C)C)ccc1OC
365631942	ZINC000172883299	ref	3.24	-6.99	0	263.337	1.469	0	4	4	COC[C@@H]1CN(Cc2ccc3c(c2)CCO3)CCO1
197591327	ZINC000290091180	ref	4.57	-9.38	0	277.364	2.184	2	3	6	C[C@H](NC(=O)CC[C@H]1CCCO1)[C@@H](O)c1ccccc1
365631949	ZINC000172883299	low	5.7	-44.22	1	263.337	1.469	1	3	4	COC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CCO1
214183426	ZINC000278483108	low	6.87	-53.7	1	323.412	3.018	2	3	3	Cc1nc(F)ccc1C[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1
365631957	ZINC000172883299	low	5.66	-44.18	1	263.337	1.469	1	3	4	COC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CCO1
197591328	ZINC000290091199	ref	6.08	-8.23	0	250.317	2.789	1	2	6	CC[C@@H](NC(=O)C1(CCF)CC1)c1ccncc1
365631966	ZINC000172882593	ref	3.21	-6.57	0	251.326	1.413	0	4	6	COC[C@@H]1CN(CCOc2ccccc2)CCO1
187168756	ZINC000125091367	ref	9.87	-32.16	0	261.365	3.372	1	2	6	O=C([O-])[C@H]([NH2+]CCC1CCCCC1)c1ccccc1
230724847	ZINC000425420049	ref	4.04	-22.97	0	324.446	2.106	2	3	6	Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCCCS(C)(=O)=O
230724849	ZINC000425422296	ref	4.95	-11.32	0	306.362	2.064	2	4	6	COc1ccc(CNC(=O)N[C@H]2CC23CC3)c(OC)c1OC
365631974	ZINC000172882593	mid	5.65	-39.92	1	251.326	1.413	1	3	6	COC[C@@H]1C[N@H+](CCOc2ccccc2)CCO1
282121954	ZINC000450410508	mid	7.49	-35.94	1	260.372	2.695	1	1	4	CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCCC2(F)F)C1
282121955	ZINC000450410508	high	7.7	-36.32	1	260.372	2.695	1	1	4	C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCCCC2(F)F)C1
365631983	ZINC000172882593	mid	5.58	-39.96	1	251.326	1.413	1	3	6	COC[C@@H]1C[N@@H+](CCOc2ccccc2)CCO1
282121957	ZINC000085797443	ref	6.24	-113.31	2	303.472	0.542	2	2	5	C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1
342600493	ZINC000616999730	mid	6.38	-41.29	1	268.401	1.792	2	2	4	COC1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC1
178300045	ZINC000237140770	ref	3.89	-55.8	1	360.195	1.767	2	2	5	COc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)c(I)c1
365631935	ZINC000336549722	ref	5.58	-12.11	0	288.351	2.102	1	4	3	Cn1nccc1[C@@H]1CCCN(C(=O)NCc2ccco2)C1
178300048	ZINC000237151017	ref	6.75	-48.19	-1	369.215	1.559	1	4	5	CN1C[C@H](C(=O)N[C@@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O
365631945	ZINC000336550023	ref	5.59	-9.45	0	292.289	2.103	1	3	2	O=C(c1cn[nH]n1)N1CCC(c2cccc(F)c2F)CC1
290622331	ZINC000492520913	high	1.31	-51.24	-1	297.27	2.286	2	5	3	O=C(C=Cc1cncc([O-])c1)Nc1ccc2oc(=O)[nH]c2c1
365631951	ZINC000336549964	ref	4.59	-12.82	0	274.324	2.222	2	3	3	CN(Cc1cc[nH]n1)C(=O)N[C@H]1CCCc2occc21
365631958	ZINC000336549845	ref	6.21	-11.89	0	264.373	2.108	1	3	3	CC[C@@H](C)NC(=O)N1CCC[C@H](c2ccnn2C)C1
365631967	ZINC000336549739	ref	9.09	-16.92	0	291.301	2.12	0	3	3	O=C(Cn1ccnc1)N1CC[C@@](F)(c2ccccc2F)C1
365631976	ZINC000336549739	low	9.61	-38.98	1	291.301	2.12	0	2	3	O=C(Cn1cc[nH+]c1)N1CC[C@@](F)(c2ccccc2F)C1
214183430	ZINC000278483663	ref	4.93	-14.57	0	315.377	1.877	1	6	4	CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1
365631985	ZINC000336549328	ref	8.67	-13.38	0	278.396	2.038	0	2	3	O=C1CCCCCCN1CC(=O)N1CC[C@H](C2CC2)C1
178300050	ZINC000237153145	ref	6.34	-95.34	2	356.474	1.544	3	4	6	Cc1ccc([C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)[NH+](C)C)cc1
178300054	ZINC000237153145	high	4.31	-53.27	1	356.474	1.544	2	5	6	Cc1ccc([C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)N(C)C)cc1
365631992	ZINC000336549671	ref	5.64	-7.96	0	257.312	2.482	0	3	2	Cc1ncc(CN2CCc3c(F)cccc3C2)cn1
178300057	ZINC000237143112	ref	4.92	-51.14	1	363.483	1.264	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CC13CC[NH2+]CC3)CC2
178300060	ZINC000237152052	ref	6.91	-85.31	0	370.427	1.94	1	6	8	Cc1ccc(CN(CC[NH+](C)C)S(=O)(=O)c2cc(C(=O)[O-])oc2C)o1
178300062	ZINC000237152052	mid	4.43	-52.65	-1	370.427	1.94	0	7	8	Cc1ccc(CN(CCN(C)C)S(=O)(=O)c2cc(C(=O)[O-])oc2C)o1
178300065	ZINC000237153265	ref	4.29	-49.57	1	353.488	1.264	2	3	7	C[NH2+]CCCC(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
178300068	ZINC000237149875	ref	4.85	-44.73	1	358.435	1.798	2	4	6	COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1
365631996	ZINC000336549671	low	8.36	-48.86	1	257.312	2.482	1	2	2	Cc1ncc(C[N@@H+]2CCc3c(F)cccc3C2)cn1
342087940	ZINC000609042705	ref	4.26	-11.99	0	269.326	1.388	2	5	4	COC(=O)Cc1csc(NC(=O)N[C@@H]2C[C@@H]2C)n1
365631938	ZINC000274350517	mid	5.82	-48.42	1	297.42	1.88	1	3	6	CO[C@H]1CC[N@H+](CCCS(=O)(=O)c2cccc(C)c2)C1
343993692	ZINC000599270918	ref	4.82	-14.24	0	278.356	1.588	1	5	8	COCCCn1cc(C(=O)N[C@H](C#N)CC(C)C)cn1
365631947	ZINC000274350517	mid	5.85	-48.23	1	297.42	1.88	1	3	6	CO[C@H]1CC[N@@H+](CCCS(=O)(=O)c2cccc(C)c2)C1
365631961	ZINC000637719797	ref	6.72	-23.63	0	296.392	1.792	0	4	5	CCCCN(C(=O)[C@@H]1CCCS1(=O)=O)c1ccccn1
365631971	ZINC000274350194	ref	3.73	-43.03	1	262.357	1.515	2	3	5	C[C@@H](c1cnccn1)[NH+]1CCC(CCC(N)=O)CC1
365631981	ZINC000274350194	high	1.54	-12.32	0	262.357	1.515	1	4	5	C[C@@H](c1cnccn1)N1CCC(CCC(N)=O)CC1
168365963	ZINC000042461954	low	2.05	-105.78	2	186.299	0.833	2	1	2	C[C@@H]([NH3+])[C@@H](C)[N@@H+]1CCOCC1(C)C
365631991	ZINC000274352268	ref	1.88	-5.71	0	293.367	1.507	0	6	4	CC(C)COc1cncc(N2CCO[C@]3(CCOC3)C2)n1
349534381	ZINC000602429613	ref	4.56	-16.95	0	223.236	0.674	0	6	5	CN(CCC#N)Cc1cn(C)nc1[N+](=O)[O-]
349534383	ZINC000602429129	ref	4.56	-41.6	1	233.315	0.939	2	2	3	N#CC1(C(=O)NC[C@H]2CCC[NH2+]2)CC2(CC2)C1
349534385	ZINC000602428953	ref	-2.7	-10.63	0	241.291	1.025	3	4	6	CCC[C@@](C)(O)CNC(=O)NCc1cocn1
187168757	ZINC000125087631	ref	4.49	-8.82	0	267.394	2.286	2	3	6	CC[C@H](SC)C(=O)NC[C@@H](O)c1cccc(C)c1
365632002	ZINC000274352380	ref	2.67	-11.29	0	250.302	1.556	2	4	3	CO[C@@H]1CCCC[C@H]1NC(=O)Nc1cncnc1
282121956	ZINC000120124849	ref	8.04	-17.17	0	331.807	2.327	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3c(Cl)cccc31)CC2
398248188	ZINC000408099635	ref	0.26	-9.01	0	200.238	-0.63	1	3	3	CC(=O)NCC(=O)N(C)[C@@H]1CCOC1
282121958	ZINC000247330473	ref	8.9	-15.17	0	339.443	2.489	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H](c3ccccc3)C[C@H]1C)CC2
342087941	ZINC000127136933	ref	4.03	-13.28	0	292.379	1.88	3	3	4	C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@]1(C)CO
342087942	ZINC000051819275	ref	5.77	-11.98	0	251.326	1.467	1	3	6	CCc1cccc(OCC(=O)N(C)C[C@@H](C)O)c1
342087943	ZINC000618611669	ref	5.28	-13.59	0	271.311	1.741	1	3	4	Cc1nn(C)c(C)c1CC(=O)NC[C@]1(C)CC1(F)F
342087944	ZINC000609045403	ref	5.89	-40.37	1	274.43	1.355	2	3	8	COCC[N@@H+]1CCC[C@@H]1CNC(=O)CSC(C)C
342087945	ZINC000609045403	mid	3.05	-9.89	0	274.43	1.355	2	3	8	COCC[N@H+]1CCC[C@@H]1CNC(=O)CSC(C)C
342087946	ZINC000609045403	high	3.05	-9.89	0	274.43	1.355	1	4	8	COCCN1CCC[C@@H]1CNC(=O)CSC(C)C
365631953	ZINC000625065221	ref	4.83	-14.32	0	313.394	2.021	1	3	7	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC=CC1
230724872	ZINC000450372414	ref	4.96	-11.45	0	321.358	1.916	1	7	4	O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@@H](CO)C3)n2)cc1
214183433	ZINC000278484185	ref	2.12	-9.11	0	310.341	2.89	2	4	5	CCC[C@@](C)(O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1
214183436	ZINC000278484314	ref	2.2	-14.32	0	323.393	2.377	3	4	6	C[C@@H](CO)CNC(=O)NCc1nc(-c2ccccc2F)cs1
282121959	ZINC000085797443	mid	6.26	-113.05	2	303.472	0.542	2	2	5	C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1
282121960	ZINC000085797443	mid	4.08	-43.38	1	303.472	0.542	1	3	5	C[NH+](C)C[C@@H]1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)C1
365631962	ZINC000625065348	ref	4.24	-18.9	0	304.39	2.222	2	3	4	CCCC(=O)N[C@H]1CCCN(C(=O)c2c(C)cccc2O)C1
342087947	ZINC000127136728	ref	4.03	-13.38	0	292.379	1.88	3	3	4	C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@@]1(C)CO
365631969	ZINC000625065348	high	5.01	-68.0	-1	304.39	2.222	1	3	4	CCCC(=O)N[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1
342087948	ZINC000046801826	ref	3.91	-8.11	0	288.438	1.857	1	3	5	CC1CCN(S(=O)(=O)NCCc2ccsc2)CC1
365631977	ZINC000625064283	ref	0.35	-9.67	0	319.361	2.152	1	6	6	COc1nc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)co1
342087949	ZINC000051831163	ref	7.76	-48.07	1	276.38	1.41	1	2	6	COCCC[NH+]1CCN(C(=O)Cc2ccccc2)CC1
365631986	ZINC000625064283	mid	2.27	-37.03	1	319.361	2.152	2	5	6	COc1nc(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)co1
342087950	ZINC000051831163	mid	5.4	-10.27	0	276.38	1.41	0	3	6	COCCCN1CCN(C(=O)Cc2ccccc2)CC1
282121962	ZINC000085797443	high	3.8	-48.19	1	303.472	0.542	1	3	5	CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1
365631994	ZINC000625065406	ref	3.44	-9.23	0	314.227	2.191	1	3	4	CN(CC(=O)NC(C)(C)C)Cc1ccncc1Br
365632000	ZINC000625064830	ref	3.13	-15.59	0	303.337	2.191	1	4	6	CN(CC(=O)NC1CC1)Cc1coc(-c2ccccc2F)n1
365632008	ZINC000625065090	ref	4.02	-10.33	0	311.332	2.352	2	3	4	CC1(C(=O)NCC(=O)Nc2cccnc2)CCC(F)(F)CC1
185087459	ZINC000096071982	ref	6.38	-10.83	0	274.364	2.042	0	3	3	C[C@H]1CO[C@]2(CCN(C(=O)CCc3cccnc3)C2)C1
365632016	ZINC000625065992	ref	2.18	-20.37	0	315.32	2.133	1	4	5	CCCC(=O)N[C@H]1CCCN(C(=O)c2ocnc2C(F)F)C1
214190393	ZINC000337634359	ref	4.98	-96.02	2	286.445	0.429	4	2	6	C[NH+](C)[C@@]1(CNC(=O)NCC[NH+]2CCC2)CCSC1
365639067	ZINC000274368295	ref	-0.82	-11.57	0	262.309	1.902	3	5	6	Cc1ccc(O)c(CN[C@@H](CCO)c2ccco2)n1
282121961	ZINC000171084054	ref	8.06	-20.31	0	331.807	2.327	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3ccc(Cl)cc31)CC2
365631965	ZINC000249889779	ref	6.62	-41.15	1	254.374	1.402	2	2	7	CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OCC1CC1
365631975	ZINC000249889779	mid	7.36	-42.51	1	254.374	1.402	2	2	7	CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)OCC1CC1
365631982	ZINC000249889779	high	4.2	-10.46	0	254.374	1.402	1	3	7	CCN1CCC[C@@H]1CNC(=O)[C@H](C)OCC1CC1
282121963	ZINC000125173077	ref	7.6	-15.88	0	339.443	2.839	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CC[C@H](C)c3ccccc31)CC2
365631988	ZINC000641599996	ref	4.41	-10.4	0	287.359	1.71	1	3	3	COc1ccc(C2(C(=O)N3C[C@@H]4C[C@]4(O)C3)CCC2)cc1
282121967	ZINC000170611052	ref	8.41	-17.01	0	345.834	2.323	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3cc(Cl)ccc3C1)CC2
282121969	ZINC000247161961	ref	7.23	-49.97	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3CCC[N@H+]3C[C@H]1C)CC2
282121971	ZINC000247161961	mid	6.93	-49.68	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3CCC[N@@H+]3C[C@H]1C)CC2
230724886	ZINC000425416653	ref	7.09	-11.24	0	316.38	2.456	2	3	6	C[C@H](CNC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)Cn1cccn1
365631995	ZINC000641597746	ref	-0.26	-14.13	0	290.385	1.562	1	5	8	CCOCCS(=O)(=O)NCc1oc(C(C)C)nc1C
282121972	ZINC000171760437	ref	5.0	-18.03	0	345.378	1.863	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCOc3ccc(F)cc31)CC2
365632005	ZINC000641597746	high	-0.65	-41.88	-1	290.385	1.562	0	5	8	CCOCCS(=O)(=O)[N-]Cc1oc(C(C)C)nc1C
365632012	ZINC000641598436	ref	5.28	-14.39	0	293.388	1.769	1	4	4	CSc1ccc(O[C@H](C)C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
365632021	ZINC000641597601	ref	-0.55	-44.32	-1	251.33	1.938	0	4	4	CCC(C)(C)c1n[n-]c(=NCC2=CCCOC2)o1
282121976	ZINC000171039008	ref	6.62	-51.7	1	320.441	1.075	3	4	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C[NH+]1CCCCC1)CC2
230744811	ZINC000450490155	ref	9.38	-14.46	0	315.377	1.423	1	7	4	COC(=O)[C@H]1CC[C@@H](Nc2ccc3nnc([C@H]4C[C@H]4C)n3n2)C1
197591338	ZINC000290091185	ref	3.9	-8.51	0	277.364	2.184	2	3	6	C[C@H](NC(=O)CC[C@@H]1CCCO1)[C@H](O)c1ccccc1
342087951	ZINC000127128882	ref	5.47	-32.21	1	296.411	1.173	2	3	8	O=C(NCCOC[C@H]1CCCO1)[C@H](C1CC1)[NH+]1CCCC1
342087952	ZINC000127128882	high	3.12	-9.23	0	296.411	1.173	1	4	8	O=C(NCCOC[C@H]1CCCO1)[C@H](C1CC1)N1CCCC1
365632031	ZINC000641598229	ref	-0.48	-15.59	0	298.368	1.318	1	6	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1ccn(C)n1
365631980	ZINC000354698175	ref	9.22	-54.02	1	281.36	1.639	1	5	5	CCC[NH+]1CCC(N(C)c2c([N+](=O)[O-])ncn2C)CC1
136229093	ZINC000184912086	ref	7.6	-8.97	0	245.322	3.43	1	2	5	C=C(C)C[C@H](C)C(=O)Nc1ccccc1C(C)=O
136229094	ZINC000292811698	ref	-0.31	-10.87	0	222.244	0.412	3	3	5	C=C[C@H](CO)NC(=O)c1cc(C=O)[nH]c1C
342087953	ZINC000609039571	ref	4.25	-18.64	0	274.28	1.071	1	6	4	COC(=O)c1cn(Cc2cccc(NC(C)=O)c2)nn1
342087954	ZINC000609042706	ref	4.26	-12.02	0	269.326	1.388	2	5	4	COC(=O)Cc1csc(NC(=O)N[C@H]2C[C@H]2C)n1
365631989	ZINC000354698207	ref	4.42	-12.76	0	293.392	1.504	1	4	6	CCc1cccc(S(=O)(=O)NCCc2ccn(C)n2)c1
365632001	ZINC000354697987	ref	7.66	-44.09	1	268.401	1.672	2	2	7	C=CCOCC(=O)N[C@H](C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1
365632006	ZINC000354697987	mid	7.76	-44.88	1	268.401	1.672	2	2	7	C=CCOCC(=O)N[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1
365632015	ZINC000354698654	ref	6.51	-10.79	0	291.351	1.103	1	5	6	CCOC(=O)CN(C(=O)c1ccc(NC)nc1)C1CCC1
342087955	ZINC000127155262	ref	6.55	-41.46	1	254.374	1.5	1	2	3	CC1(C)C[N@H+](CCC(=O)N2CCCCC2)CCO1
342087956	ZINC000127155262	mid	6.55	-41.42	1	254.374	1.5	1	2	3	CC1(C)C[N@@H+](CCC(=O)N2CCCCC2)CCO1
365632026	ZINC000354697765	ref	2.74	-9.1	0	297.273	1.004	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@H](C)O
365632035	ZINC000354698360	ref	8.41	-45.62	1	270.442	1.93	1	2	5	CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1
342087957	ZINC000127155262	mid	4.59	-8.12	0	254.374	1.5	0	3	3	CC1(C)CN(CCC(=O)N2CCCCC2)CCO1
365632043	ZINC000354698360	mid	8.41	-45.62	1	270.442	1.93	1	2	5	CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1
365632052	ZINC000354699029	ref	3.92	-13.73	0	286.372	1.13	2	4	6	CCOC(=O)C[C@H](C)CNC(=O)N(C)[C@@H]1CCC[C@H]1O
342087958	ZINC000127137152	ref	4.03	-13.12	0	292.379	1.88	3	3	4	C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@]1(C)CO
365632063	ZINC000354697864	ref	4.43	-12.95	0	259.313	1.417	2	6	2	C[C@@H]1C[C@H](Nc2ncnc3nc(N)ccc23)CCO1
365632071	ZINC000354699024	ref	3.43	-21.32	0	283.372	1.165	2	5	9	CC[C@H](O)CCCNC(=O)CO[C@H](C)c1nccn1C
214190395	ZINC000337634359	mid	1.81	-47.14	1	286.445	0.429	3	3	6	C[NH+](C)[C@@]1(CNC(=O)NCCN2CCC2)CCSC1
342087959	ZINC000127138349	ref	3.67	-11.62	0	285.347	1.946	3	2	4	CNC(=O)NCC(=O)N[C@H](C)c1cccc2ccccc12
365632079	ZINC000354699413	ref	3.55	-8.37	0	278.352	1.265	2	4	4	Cn1cccc1C(=O)C(=O)NC[C@@]1(C)CCCC[C@@H]1O
166172791	ZINC000306326057	ref	6.5	-11.66	0	178.235	1.436	0	3	3	C=CCCn1cnc(C)c(C)c1=O
365631984	ZINC000617414804	mid	2.69	-19.13	0	259.313	0.553	1	5	2	CN1CCC[C@H](NC(=O)c2cnn3cccnc23)C1
349534382	ZINC000594967302	ref	8.11	-58.34	1	251.333	2.594	1	2	5	Cc1ccncc1CC[NH2+]Cc1cccc(C#N)c1
342594764	ZINC000590771108	ref	7.78	-15.79	0	289.331	1.863	0	4	5	COC(=O)COc1ccc(C(=O)N2CC[C@@H]2C2CC2)cc1
365631993	ZINC000617415109	ref	4.31	-43.03	1	270.373	0.783	2	3	6	C[N@@H+]1CCC[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1
365631997	ZINC000617415109	mid	4.84	-44.53	1	270.373	0.783	2	3	6	C[N@H+]1CCC[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1
342594765	ZINC000590770858	ref	5.76	-6.09	0	290.289	1.166	2	5	5	CN(C)c1cc(C(F)(F)F)nc(NC[C@H](O)C2CC2)n1
365632004	ZINC000617415109	high	1.95	-9.6	0	270.373	0.783	1	4	6	CN1CCC[C@H](NC(=O)CCOC[C@@H]2CCCO2)C1
365632013	ZINC000617413802	ref	3.91	-54.0	1	289.335	0.841	3	3	2	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1
342594766	ZINC000194332502	ref	2.58	-15.93	0	279.365	1.275	2	4	3	C[C@H]1CCNC(=O)[C@H]1NC(=O)c1csc(C2CC2)n1
230724907	ZINC000450377259	ref	8.48	-16.75	0	311.345	1.362	1	7	5	c1cc2c(cc1CCCNc1ccc3nncn3n1)OCCO2
365632018	ZINC000617413802	mid	3.39	-50.51	1	289.335	0.841	3	3	2	C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1
365632024	ZINC000617413802	mid	1.03	-13.86	0	289.335	0.841	2	4	2	CN1CCC[C@@H](NC(=O)c2ccc3c(c2)OCC(=O)N3)C1
365632033	ZINC000617412889	ref	3.91	-53.47	1	289.335	0.841	3	3	2	C[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
306234639	ZINC000557899002	ref	4.05	-18.41	0	331.372	1.492	2	4	6	CCOC1CC(C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)C1
365632039	ZINC000617412889	mid	3.38	-50.13	1	289.335	0.841	3	3	2	C[N@H+]1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
349534384	ZINC000594967249	ref	8.51	-42.97	1	253.415	2.863	1	3	9	C=CCCSCC[NH2+]Cc1nccn1C(C)C
342594767	ZINC000616962480	ref	3.36	-18.97	0	276.361	1.022	2	3	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1SCCc2ccccc21
349534386	ZINC000594967249	mid	7.17	-5.42	0	253.415	2.863	1	4	9	C=CCCSCCNCc1nccn1C(C)C
365632045	ZINC000617412889	mid	1.01	-13.36	0	289.335	0.841	2	4	2	CN1CCC[C@@H](NC(=O)c2ccc3c(c2)NC(=O)CO3)C1
342594768	ZINC000590771254	ref	5.03	-18.9	0	296.33	1.173	2	4	3	N#CCn1c(C(=O)N[C@H]2CCCNC2=O)cc2ccccc21
342594769	ZINC000590770314	ref	6.07	-9.28	0	259.313	1.523	0	6	3	COc1ccnc(N2CCC[C@H](n3ccnc3)C2)n1
365632053	ZINC000617413261	ref	5.19	-42.48	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)C1
365631990	ZINC000172885825	ref	2.65	-19.07	0	296.392	1.097	2	4	8	Cc1ccccc1O[C@@H](C)CNC(=O)CSCC(N)=O
342594770	ZINC000590770314	low	6.78	-35.19	1	259.313	1.523	0	5	3	COc1ccnc(N2CCC[C@H](n3cc[nH+]c3)C2)n1
342594771	ZINC000590771262	ref	2.52	-14.24	0	267.35	1.333	1	3	4	C[S@@](=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1
230724914	ZINC000450375657	ref	5.27	-11.16	0	301.346	1.35	1	6	4	COc1ccc(-c2ccnc(N3CCO[C@H](CO)C3)n2)cc1
365631998	ZINC000172881264	ref	3.44	-7.44	0	295.379	1.811	0	5	8	CCOc1ccc(OCCN2CCO[C@H](COC)C2)cc1
342594772	ZINC000590771060	ref	4.1	-8.22	0	270.336	1.452	2	5	5	Cc1nc(NC[C@H](O)C2CC2)cc(-c2cccnc2)n1
365632007	ZINC000172881264	mid	5.85	-42.02	1	295.379	1.811	1	4	8	CCOc1ccc(OCC[N@@H+]2CCO[C@H](COC)C2)cc1
365632014	ZINC000172881264	mid	5.8	-42.12	1	295.379	1.811	1	4	8	CCOc1ccc(OCC[N@H+]2CCO[C@H](COC)C2)cc1
365632022	ZINC000172882597	ref	3.31	-7.09	0	251.326	1.413	0	4	6	COC[C@H]1CN(CCOc2ccccc2)CCO1
365632028	ZINC000172882597	mid	5.24	-38.24	1	251.326	1.413	1	3	6	COC[C@H]1C[N@H+](CCOc2ccccc2)CCO1
365632034	ZINC000172882597	mid	5.63	-39.95	1	251.326	1.413	1	3	6	COC[C@H]1C[N@@H+](CCOc2ccccc2)CCO1
342594773	ZINC000590771128	ref	4.5	-14.85	0	291.347	1.293	2	4	5	COC(=O)Cc1cccc(C(=O)N[C@H]2CC[C@@H](CO)C2)c1
342594774	ZINC000590771520	ref	4.38	-24.67	0	251.351	1.952	1	2	4	C[C@@H](NC(=O)c1cccc([S@@](C)=O)c1)C1CC1
342594775	ZINC000590771353	ref	4.88	-13.06	0	288.351	1.186	1	4	5	CCN(C)C(=O)[C@@H](NC(=O)c1cccc(C#N)n1)C(C)C
214183434	ZINC000293547091	ref	7.15	-24.77	0	372.473	0.615	0	6	4	Cc1c(CC(=O)N2CCN(C(=O)Cc3cnn(C)c3C)[C@@H](C)C2)cnn1C
342594776	ZINC000590770294	ref	7.69	-11.44	0	299.334	1.819	2	6	4	C[C@H]1C[C@H]1c1ccc(CNc2nc3c(cnn3C)c(=O)[nH]2)o1
365632040	ZINC000172885359	ref	1.97	-9.83	0	298.408	1.02	1	5	6	COC[C@@H]1CN(CC(=O)NCc2sccc2C)CCO1
365632051	ZINC000172886457	ref	4.85	-9.13	0	295.77	1.835	0	5	4	COC[C@H]1CN(Cc2cn3cc(Cl)ccc3n2)CCO1
365632059	ZINC000172886457	low	5.01	-32.37	1	295.77	1.835	0	4	4	COC[C@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCO1
178300070	ZINC000237149875	high	4.87	-26.71	0	358.435	1.798	1	4	6	COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H](C[NH3+])C1CCCCC1
342594777	ZINC000590771234	ref	4.6	-19.81	0	296.367	1.454	2	3	5	O=C(CSCc1ccc(F)cc1)N[C@H]1CCCNC1=O
365632066	ZINC000172881184	ref	-0.47	-39.91	-1	268.298	1.205	0	6	4	C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)c1ncc[n-]1
178300073	ZINC000237154425	ref	6.68	-44.69	1	350.426	1.948	1	5	4	C[NH2+]C[C@@H]1CCCN1C(=O)c1nnn(-c2ccc3ncccc3c2)c1C
230724924	ZINC000450375217	ref	8.39	-12.26	0	301.394	1.895	1	6	4	CO[C@@H]1C[C@H](Nc2ccc3nnc([C@H]4C[C@H]4C)n3n2)C1(C)C
178300077	ZINC000237144776	ref	6.28	-58.56	-1	363.151	1.511	1	4	5	COC[C@](C)(NC(=O)c1ccccc1I)C(=O)[O-]
214183438	ZINC000293544914	ref	2.77	-13.5	0	358.391	0.82	1	5	4	CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F
230724925	ZINC000450373069	ref	4.28	-11.26	0	315.329	1.979	0	6	2	Cc1c(C(=O)N(C)c2ccc3c(c2)OCO3)nn2c1OCCC2
214183441	ZINC000293553881	ref	-0.9	-19.62	0	369.443	0.572	3	7	8	COc1ccc(C[C@H](CO)CNS(=O)(=O)c2cnn(C)c2C)cc1O
365632003	ZINC000336549671	low	8.36	-48.86	1	257.312	2.482	1	2	2	Cc1ncc(C[N@H+]2CCc3c(F)cccc3C2)cn1
365632010	ZINC000336549541	ref	7.83	-13.37	0	282.384	2.112	0	3	2	COC(=O)[C@H]1CCN(C(=O)N(C)C2CCCC2)C[C@@H]1C
365632020	ZINC000336549904	ref	5.83	-7.09	0	279.771	2.456	0	4	2	C[C@@H]1COCCN(Cc2cn3cc(Cl)ccc3n2)C1
365632025	ZINC000336549904	mid	8.58	-35.24	1	279.771	2.456	1	3	2	C[C@@H]1COCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1
432002722	ZINC000062076767	ref	8.29	-17.51	0	301.777	3.126	1	2	2	N#CC1CCN(C(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1
178300079	ZINC000237152080	ref	7.41	-55.56	-1	355.188	1.345	0	4	4	CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1
178300080	ZINC000237145493	ref	5.5	-58.55	-1	369.18	1.572	1	5	5	COC[C@](C)(NC(=O)c1csc(I)c1)C(=O)[O-]
365632030	ZINC000336549904	mid	8.57	-36.15	1	279.771	2.456	1	3	2	C[C@@H]1COCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)C1
365632036	ZINC000336549814	ref	6.17	-12.61	0	261.321	2.322	0	3	3	O=C(C[C@@H]1CCOC1)N1CCC=C(c2ccco2)C1
365632044	ZINC000336549740	ref	9.14	-16.68	0	291.301	2.12	0	3	3	O=C(Cn1ccnc1)N1CC[C@](F)(c2ccccc2F)C1
178300083	ZINC000237140612	ref	8.93	-87.01	2	370.541	1.652	2	2	6	C[N@H+](CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1)Cc1ccccc1
178300086	ZINC000237140612	mid	8.92	-87.17	2	370.541	1.652	2	2	6	C[N@@H+](CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1)Cc1ccccc1
136229095	ZINC000292817286	ref	-0.18	-8.55	0	235.287	0.736	3	3	5	C=C[C@@H](CO)NC(=O)NCc1ccncc1C
343994897	ZINC000079949708	ref	4.67	-11.64	0	260.337	2.469	2	2	5	CCC[C@H]1C[C@H]1C(=O)Nc1ccc(C)c(C(N)=O)c1
349534387	ZINC000602429316	ref	9.12	-41.52	1	208.349	2.904	1	1	4	C[C@H]1C[C@H](C)C[NH+](C[C@H](C)CCC#N)C1
365632011	ZINC000274349722	ref	1.24	-15.73	0	274.328	1.318	4	3	3	Cc1n[nH]cc1CNC(=O)N[C@@H]1CCCc2c[nH]nc21
230724929	ZINC000414281928	ref	8.48	-46.58	1	313.445	3.28	1	3	6	C[C@@H](c1ccccc1)[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
365632019	ZINC000274352434	ref	6.74	-49.46	1	266.32	1.634	2	2	2	C[C@@H]1CN(C(=O)Nc2cccc(F)n2)C[C@@H]1[NH+](C)C
365632029	ZINC000274350752	ref	5.91	-12.18	0	287.323	1.975	2	7	6	CCn1cnc2c(N[C@H](CCO)c3ccco3)ncnc21
398248189	ZINC000182892352	ref	5.65	-7.24	0	242.322	3.916	1	3	4	C[C@H](Nc1ccc2nc(C3CC3)oc2c1)C1CC1
398248194	ZINC000361805677	ref	5.9	-39.93	1	243.391	2.593	1	2	5	CO[C@@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C(C)C
124847140	ZINC000339068823	ref	9.56	-47.82	1	266.388	3.6	1	1	4	Cc1ccc2c(c1)[C@@H]([NH2+]CCc1ccncc1)CCC2
365632041	ZINC000274350406	ref	2.09	-10.76	0	298.184	1.936	1	3	3	NC(=O)C[C@@H]1CCCN(c2ccncc2Br)C1
365632048	ZINC000274350406	mid	2.55	-43.43	1	298.184	1.936	1	2	3	NC(=O)C[C@@H]1CCCN(c2cc[nH+]cc2Br)C1
342087960	ZINC000617966011	ref	2.82	-11.49	0	281.352	1.66	2	4	8	CC[C@H](O)CC(=O)N[C@H](COC)c1cccc(OC)c1
365632057	ZINC000353419212	ref	6.22	-12.09	0	277.368	1.523	0	4	4	Cn1ccc(CCC(=O)N2CCC[C@H]2[C@H]2CCCO2)n1
365632069	ZINC000274349163	ref	2.92	-9.23	0	293.363	1.697	1	4	5	CCOc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)cc1
365632080	ZINC000274351083	ref	5.87	-13.91	0	273.34	1.958	2	4	5	C[C@H](CCc1cccn1C)NC(=O)Nc1cncnc1
398248203	ZINC000182891492	ref	4.98	-10.34	0	247.404	2.086	1	2	8	CCCC(CCC)C(=O)N[C@H](C)C[S@](C)=O
398248208	ZINC000615417052	ref	0.36	-12.02	0	241.312	0.246	2	4	4	O=C(CCc1ccsc1)N1CC(O)(CO)C1
398248213	ZINC000182893871	ref	5.06	-7.36	0	230.311	3.916	1	3	4	CC[C@H](C)Nc1ccc2nc(C3CC3)oc2c1
187168758	ZINC000125088770	ref	5.48	-51.31	1	282.771	1.711	1	2	3	COc1ccc(Cl)cc1CC(=O)N1CC[NH2+]C[C@H]1C
214183440	ZINC000278484525	ref	7.41	-10.8	0	303.402	3.186	1	3	5	CC(C)=CCOc1cccc(C(=O)N[C@@H]2CCOC[C@@H]2C)c1
342087961	ZINC000127160004	ref	4.0	-8.25	0	256.346	1.399	1	3	6	C=CCCOCCNC(=O)N1CCOC(C)(C)C1
342087962	ZINC000127124941	ref	3.92	-18.52	0	297.318	1.88	0	7	4	c1ccc(-c2cn(Cc3nc([C@H]4CCOC4)no3)nn2)cc1
342087963	ZINC000121128774	ref	4.52	-43.04	1	256.39	1.696	2	2	7	CCO[C@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C
342087964	ZINC000048412497	ref	6.15	-12.34	0	287.366	1.318	0	7	5	COC(=O)CSc1nnc(N(C(C)=O)C2CC2)s1
342087965	ZINC000609045404	ref	5.11	-38.97	1	274.43	1.355	2	3	8	COCC[N@@H+]1CCC[C@H]1CNC(=O)CSC(C)C
214183442	ZINC000337618790	mid	7.43	-10.66	0	295.224	2.329	2	4	2	O=C(Nc1ncc(C(F)(F)F)[nH]1)c1ccc2nccn2c1
342087966	ZINC000609045404	mid	3.34	-9.83	0	274.43	1.355	2	3	8	COCC[N@H+]1CCC[C@H]1CNC(=O)CSC(C)C
365632023	ZINC000625065771	ref	8.54	-35.08	1	318.461	2.498	1	3	9	CCO[C@H](C[NH+]1CCN(CCOc2ccccc2)CC1)C1CC1
342087967	ZINC000609045404	high	3.34	-9.83	0	274.43	1.355	1	4	8	COCCN1CCC[C@H]1CNC(=O)CSC(C)C
365632032	ZINC000625065771	high	6.05	-4.13	0	318.461	2.498	0	4	9	CCO[C@H](CN1CCN(CCOc2ccccc2)CC1)C1CC1
365632042	ZINC000625064584	ref	4.6	-11.62	0	308.422	2.168	1	4	8	COc1ccc(OCCN(C)CC(=O)NCC(C)(C)C)cc1
365632050	ZINC000625064584	mid	6.91	-43.1	1	308.422	2.168	2	3	8	COc1ccc(OCC[N@H+](C)CC(=O)NCC(C)(C)C)cc1
230724949	ZINC000450376163	ref	6.17	-13.97	0	320.437	1.666	1	4	9	CC(=O)NC[C@H](CC(=O)N(C)CCc1cnccn1)CC(C)C
365632054	ZINC000625064584	mid	6.89	-43.83	1	308.422	2.168	2	3	8	COc1ccc(OCC[N@@H+](C)CC(=O)NCC(C)(C)C)cc1
342087968	ZINC000121133324	ref	5.93	-34.92	1	256.415	1.919	2	2	4	CCS[C@@H]1CCC[C@@H]1NC(=O)[C@]1(C)CCC[NH2+]1
365632062	ZINC000625065476	ref	7.07	-45.02	1	321.417	2.258	1	4	6	COc1cc2c(cc1OC)C[N@H+](CCOC1CCOCC1)CC2
185087461	ZINC000096071382	ref	9.85	-31.23	1	286.463	3.773	1	1	4	CC(C)C[N@@H+]1CCC[C@@]12CCCN(Cc1ccccc1)C2
365632068	ZINC000625065476	mid	7.12	-45.01	1	321.417	2.258	1	4	6	COc1cc2c(cc1OC)C[N@@H+](CCOC1CCOCC1)CC2
342087969	ZINC000121131023	ref	4.02	-11.67	0	263.337	1.274	2	3	5	C[C@H]1CC[C@H](C(=O)NC[C@H](O)Cc2ccccc2)O1
365632074	ZINC000625065476	mid	4.75	-9.35	0	321.417	2.258	0	5	6	COc1cc2c(cc1OC)CN(CCOC1CCOCC1)CC2
342087970	ZINC000051819318	ref	4.17	-8.9	0	271.744	1.948	1	3	6	C[C@@H](O)CN(C)C(=O)CCOc1cccc(Cl)c1
342087971	ZINC000609043930	ref	4.9	-23.69	0	287.348	1.167	1	6	2	Cc1ccn2ncc(C(=O)N[C@]3(C#N)CCSC3)c2n1
342087972	ZINC000048411362	ref	2.96	-15.08	0	281.341	1.371	0	8	5	c1ncn(Cc2nnc(SC[C@@H]3CCCCO3)o2)n1
342087973	ZINC000026760727	ref	7.98	-17.24	0	264.292	1.651	1	6	4	N#Cc1cccnc1NCCc1nnc2ccccn12
214183444	ZINC000337618790	low	7.99	-39.34	1	295.224	2.329	2	3	2	O=C(Nc1nc(C(F)(F)F)c[nH]1)c1ccc2[nH+]ccn2c1
214183446	ZINC000337620290	ref	2.78	-9.13	0	276.258	2.327	1	3	4	COc1cc(C(=O)NC[C@H](C)C(F)(F)F)cc(C)n1
365639070	ZINC000274368295	mid	0.41	-40.49	1	262.309	1.902	3	4	6	Cc1ccc(O)c(C[NH2+][C@@H](CCO)c2ccco2)n1
342594778	ZINC000616962423	ref	4.26	-15.6	0	294.782	1.913	2	2	4	CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@H]1CCNC1=O
365632038	ZINC000641598229	high	-0.88	-52.13	-1	298.368	1.318	0	6	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccn(C)n1
342594779	ZINC000590770483	ref	11.9	-17.63	0	283.339	1.471	0	7	2	Cc1cc(N2CCC[C@H](n3ccnc3)C2)n2ncnc2n1
342594780	ZINC000590770483	low	12.61	-42.36	1	283.339	1.471	0	6	2	Cc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)n2ncnc2n1
365632046	ZINC000641598498	ref	4.95	-11.57	0	263.312	1.597	1	2	3	C[C@H](Cc1ccccc1F)C(=O)N1C[C@H]2C[C@@]2(O)C1
197591364	ZINC000162784729	ref	9.14	-17.7	0	321.425	1.74	2	5	6	CC(C)CC(=O)N[C@@H](C(=O)Nc1nnc2n1CCCC2)C(C)C
342594781	ZINC000616962412	ref	3.8	-17.63	0	274.364	1.749	2	2	5	CCC(CC)(C(=O)N[C@@H]1CCNC1=O)c1ccccc1
197591369	ZINC000162782938	ref	4.02	-6.93	0	306.591	2.434	2	3	4	CCNC(=O)[C@H](C)Nc1ncc(Cl)cc1Br
365632058	ZINC000641598421	ref	6.55	-17.2	0	287.363	1.627	1	2	2	CC(=O)N1CC[C@@H](CNC(=O)N2CCc3ccccc32)C1
282121964	ZINC000085797443	high	3.88	-47.97	1	303.472	0.542	1	3	5	CN(C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1
187168759	ZINC000125088770	mid	4.15	-8.75	0	282.771	1.711	1	3	3	COc1ccc(Cl)cc1CC(=O)N1CCNC[C@H]1C
365632070	ZINC000641597510	ref	-0.95	-12.47	0	273.358	1.193	2	4	6	Cc1nc(C(C)C)oc1CNS(=O)(=O)NC1CC1
365632081	ZINC000641598856	ref	-1.69	-54.8	-1	295.387	1.382	1	4	4	CCC(C)(C)c1n[n-]c(=NC[C@@H]2CCCN(C(N)=O)C2)o1
168364658	ZINC000368497166	ref	10.62	-114.13	2	326.488	3.261	2	2	6	Cc1cc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n(C)n1
365632086	ZINC000641597464	ref	0.19	-12.86	0	295.364	1.98	1	5	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1ccncc1
365632091	ZINC000641597464	high	-0.21	-41.83	-1	295.364	1.98	0	5	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccncc1
230724959	ZINC000414281631	ref	7.38	-16.57	0	307.459	3.049	1	2	8	CC(C)C[C@@H](NC(=O)C[S@](=O)CC1CC1)c1ccccc1
342594782	ZINC000590771109	ref	6.79	-11.97	0	255.321	1.981	1	3	4	N#Cc1ccc(NCC(=O)N2CC[C@H]2C2CC2)cc1
230724961	ZINC000414280882	ref	8.0	-46.26	1	323.368	3.182	2	3	6	C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1F
342594783	ZINC000616962438	ref	3.86	-21.01	0	276.336	1.157	2	3	5	CC[C@H](Oc1ccccc1C)C(=O)N[C@@H]1CCNC1=O
342594784	ZINC000590771111	ref	3.76	-11.93	0	295.31	1.503	2	4	4	COC(=O)c1ccc(C(=O)N[C@H]2CC[C@@H](CO)C2)cc1F
365639073	ZINC000274368295	high	-0.05	-43.24	-1	262.309	1.902	2	5	6	Cc1ccc([O-])c(CN[C@@H](CCO)c2ccco2)n1
365632049	ZINC000336549740	low	9.65	-38.42	1	291.301	2.12	0	2	3	O=C(Cn1cc[nH+]c1)N1CC[C@](F)(c2ccccc2F)C1
365632056	ZINC000336549711	ref	5.02	-11.84	0	280.412	2.376	2	2	3	C[C@H]1NC(=O)CC[C@@H]1NC(=O)CC1CCC(C)(C)CC1
365632061	ZINC000336549388	ref	5.77	-11.75	0	295.333	2.212	1	3	3	O=C(NC1CCN(c2ccccn2)CC1)C1CC(F)(F)C1
365632065	ZINC000336549388	low	5.9	-36.6	1	295.333	2.212	1	2	3	O=C(NC1CCN(c2cccc[nH+]2)CC1)C1CC(F)(F)C1
342087974	ZINC000121128637	ref	4.45	-42.23	1	256.39	1.696	2	2	7	CCO[C@@H](CCNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C
342087975	ZINC000625368387	ref	-0.63	-8.4	0	281.356	1.31	1	6	5	CN(Cc1noc(C2CCC2)n1)C1(CO)CCOCC1
342087976	ZINC000625368387	low	1.7	-31.03	1	281.356	1.31	2	5	5	C[N@H+](Cc1noc(C2CCC2)n1)C1(CO)CCOCC1
342087977	ZINC000625368387	low	1.53	-31.04	1	281.356	1.31	2	5	5	C[N@@H+](Cc1noc(C2CCC2)n1)C1(CO)CCOCC1
342087978	ZINC000127151927	ref	4.0	-16.71	0	250.298	1.111	1	3	3	CCc1cc(C)c(C(=O)N[C@H]2CCN(C)C2=O)o1
214183443	ZINC000278483460	ref	0.78	-12.11	0	319.81	1.714	2	4	6	C[C@H]1Cc2cc(S(=O)(=O)NCCCCO)cc(Cl)c2O1
365632073	ZINC000336549895	ref	5.69	-8.73	0	280.318	2.208	1	2	3	O=C1C[C@H](NCc2c(F)cccc2F)[C@H]2CCCCN12
168364660	ZINC000069283538	ref	3.58	-41.11	1	183.226	1.69	1	1	4	C[C@@H]([NH3+])COCc1ccccc1F
342087979	ZINC000121148374	ref	4.94	-44.9	1	265.357	1.558	2	3	5	CCc1noc(CC)c1CNC(=O)[C@]1(C)CCC[NH2+]1
365632077	ZINC000336549895	mid	6.89	-48.43	1	280.318	2.208	1	1	3	O=C1C[C@H]([NH2+]Cc2c(F)cccc2F)[C@H]2CCCCN12
365632083	ZINC000336549321	ref	4.54	-12.87	0	297.273	2.136	0	2	3	O=S(=O)(Cc1c(F)cccc1F)N1CCC(F)(F)C1
365632090	ZINC000336549657	ref	8.77	-40.97	1	262.397	2.119	1	1	2	C[N@@H+]1CCCC12CCN(C(=O)[C@H]1C[C@H]1C1CC1)CC2
365632095	ZINC000336549657	mid	8.79	-40.53	1	262.397	2.119	1	1	2	C[N@H+]1CCCC12CCN(C(=O)[C@H]1C[C@H]1C1CC1)CC2
365632103	ZINC000336549592	ref	3.73	-50.48	-1	298.265	2.159	0	3	2	O=C(N=c1[n-]nc(C(F)F)s1)N1CCC[C@@H]1C(F)F
365632108	ZINC000336549857	ref	6.21	-11.79	0	264.373	2.108	1	3	3	CC[C@H](C)NC(=O)N1CCC[C@H](c2ccnn2C)C1
365632112	ZINC000336549325	ref	6.19	-10.17	0	257.268	2.127	0	3	1	Cc1cnc(C(=O)N2CCc3cc(F)ccc32)cn1
342087980	ZINC000121124236	ref	2.63	-43.69	1	280.372	1.686	2	4	3	C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1nc(C(C)(C)C)no1
349534388	ZINC000594966870	ref	7.73	-54.02	1	255.321	2.88	1	3	4	Cc1nocc1C[NH2+]C(C)(C)c1cccc(C#N)c1
365639075	ZINC000274369204	ref	3.64	-8.35	0	283.393	1.597	1	4	4	Cc1ccc(CC(=O)N2CCOC[C@@H]2C[C@H](C)O)s1
178300090	ZINC000237140612	high	6.59	-42.16	1	370.541	1.652	1	3	6	CN(CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1)Cc1ccccc1
178300093	ZINC000237151875	ref	8.01	-62.21	-1	369.215	1.653	0	4	4	Cc1cc(N2C[C@@H](C(=O)N(C)CC(=O)[O-])CC2=O)ccc1Br
178300096	ZINC000237143612	ref	4.72	-50.29	1	368.503	1.024	1	4	4	C[NH2+]C1CCN(C(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)CC1
178300100	ZINC000237139463	ref	3.76	-49.15	1	351.472	1.306	3	3	5	CCNS(=O)(=O)c1ccc(C)c(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
178300101	ZINC000237148962	ref	3.73	-52.86	1	370.519	1.943	3	4	10	CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@H](C)C[NH2+]C
178300103	ZINC000237146883	ref	8.09	-63.68	-1	357.41	1.862	0	6	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C1
178300106	ZINC000237139516	ref	1.2	-52.94	1	364.265	1.214	3	3	6	C[NH2+]CCNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C
185087463	ZINC000096071382	mid	10.25	-31.13	1	286.463	3.773	1	1	4	CC(C)C[N@H+]1CCC[C@@]12CCCN(Cc1ccccc1)C2
343993694	ZINC000079908437	ref	5.18	-10.22	0	292.335	2.362	0	3	2	O=S(=O)(c1cccnc1)N1CCCc2cc(F)ccc21
290622334	ZINC000492520869	ref	3.1	-11.62	0	298.342	2.304	2	4	6	COC[C@@H](NC(=O)/C=C\c1cncc(O)c1)c1ccccc1
230724963	ZINC000414280882	high	7.01	-12.37	0	323.368	3.182	2	4	6	C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)N[C@@H]1CCCC[C@H]1F
282121965	ZINC000336793387	ref	4.7	-75.73	2	255.406	0.325	3	2	7	C[NH+](C)C[C@@H]1CCN(C[C@H](O)C[N@H+](C)C2CC2)C1
282121966	ZINC000336793387	mid	4.38	-76.08	2	255.406	0.325	3	2	7	C[NH+](C)C[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1
365632060	ZINC000617413261	mid	5.72	-42.36	1	267.373	0.455	2	2	2	CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)C1
365632064	ZINC000617413261	high	2.83	-11.27	0	267.373	0.455	1	3	2	CC(=O)N1CCC[C@@H](C(=O)N[C@H]2CCCN(C)C2)C1
365632072	ZINC000617411561	ref	4.05	-44.5	1	255.362	0.358	3	2	4	CC(=O)N[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)C(C)C
365632078	ZINC000617411561	mid	3.83	-43.26	1	255.362	0.358	3	2	4	CC(=O)N[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)C(C)C
365632082	ZINC000617411561	mid	1.44	-8.17	0	255.362	0.358	2	3	4	CC(=O)N[C@@H](C(=O)N[C@H]1CCCN(C)C1)C(C)C
365632092	ZINC000617413695	ref	4.85	-47.1	1	292.383	0.942	3	3	4	Cc1nc(C)c(CCC(=O)N[C@H]2CCC[N@@H+](C)C2)c(=O)[nH]1
230724983	ZINC000414281483	ref	6.88	-50.0	1	321.367	3.4	2	2	7	COc1cc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)ccc1F
365632100	ZINC000617413695	mid	5.37	-49.05	1	292.383	0.942	3	3	4	Cc1nc(C)c(CCC(=O)N[C@H]2CCC[N@H+](C)C2)c(=O)[nH]1
178300091	ZINC000031943799	ref	8.34	-8.11	0	240.281	3.986	1	1	1	Cc1cc2nc(-c3ccc(F)cc3)[nH]c2cc1C
282121968	ZINC000336793387	high	1.84	-36.97	1	255.406	0.325	2	3	7	CN(C[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1)C1CC1
282121970	ZINC000411275732	ref	10.75	-76.39	2	315.505	3.056	2	1	6	C[NH+](C)C[C@@H]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)C1
282121973	ZINC000411275732	mid	13.14	-156.88	3	315.505	3.056	3	0	6	C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1
342594785	ZINC000590771133	ref	4.31	-11.89	0	297.326	1.893	2	4	7	COC(=O)c1ccc(C(=O)N[C@@H](C)CCCCO)cc1F
230725007	ZINC000425428378	ref	4.32	-19.48	0	300.362	2.136	3	3	4	CC(=O)Nc1cccc(CNC(=O)N[C@@H]2CC[C@H](C#N)C2)c1
342594786	ZINC000616962373	ref	3.25	-19.56	0	268.357	1.119	2	3	4	C[C@H](OC1CCCCCC1)C(=O)N[C@H]1CCNC1=O
342594787	ZINC000616962463	ref	3.57	-18.62	0	266.366	1.384	2	3	5	Cc1ccc(CCCC(=O)N[C@H]2CCNC2=O)s1
342594788	ZINC000590770605	ref	7.19	-13.87	0	261.329	1.43	2	6	5	CC(C)c1cc(NC[C@@H](O)C2CC2)n2ncnc2n1
342594789	ZINC000590770801	ref	2.37	-5.87	0	294.374	1.268	1	5	2	Cc1nc(C)c(F)c(N2CCN([C@@H]3CCC[C@H]3O)CC2)n1
361823301	ZINC000612425503	ref	4.55	-15.79	0	305.353	2.148	2	4	6	CC[C@H](C)[C@@H](O)CNC(=O)c1c(F)cccc1-n1cccn1
342594790	ZINC000590770801	mid	4.56	-37.04	1	294.374	1.268	2	4	2	Cc1nc(C)c(F)c(N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)n1
349534389	ZINC000602429605	ref	7.41	-36.82	1	227.329	2.375	1	3	4	COC(=O)c1csc(C[N@H+](C)C(C)C)c1
178300095	ZINC000031943799	low	8.75	-28.27	1	240.281	3.986	1	0	1	Cc1cc2[nH]c(-c3ccc(F)cc3)[nH+]c2cc1C
361823305	ZINC000612425217	ref	4.3	-12.33	0	301.342	2.401	2	4	7	CCC[C@H](O)CNC(=O)c1cccc(C(=O)c2ccco2)c1
361823312	ZINC000612423343	ref	6.3	-41.07	1	304.434	2.143	3	2	8	CCC[C@H](O)CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1
282121974	ZINC000411275732	mid	13.21	-158.19	3	315.505	3.056	3	0	6	C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1
282121975	ZINC000411275732	high	10.7	-84.52	2	315.505	3.056	2	1	6	CN(C)C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1
361823320	ZINC000612424695	ref	3.98	-10.48	0	309.406	2.376	2	4	8	CC[C@@H](C)[C@H](O)CNC(=O)C(C)(C)Oc1ccc(OC)cc1
361823329	ZINC000612425649	ref	3.38	-8.16	0	319.392	2.496	2	3	5	CCC1(C(=O)NC[C@H](O)C2CCOCC2)CCC(F)(F)CC1
361823338	ZINC000612424520	ref	1.49	-15.49	0	320.311	2.333	3	3	6	CCC(CC)[C@H](O)CNC(=O)c1ccc(C(F)(F)F)c(=O)[nH]1
230724982	ZINC000450373235	ref	9.83	-16.47	0	321.384	1.994	1	5	6	N#Cc1ccnc(N[C@H]2CCN(CCCc3ccccc3)C2=O)n1
365632076	ZINC000172881184	mid	0.02	-16.04	0	268.298	1.205	1	6	4	C[C@@H](c1nc(C2CC2)no1)S(=O)(=O)c1ncc[nH]1
230724989	ZINC000450377529	ref	5.85	-13.32	0	301.394	1.525	1	5	4	CCc1nn(C)cc1CNC(=O)c1nn(C)c2c1CCCC2
365632084	ZINC000172883820	ref	2.36	-9.7	0	292.379	1.038	1	4	6	COC[C@@H]1CN([C@@H](C)C(=O)NCc2ccccc2)CCO1
398248191	ZINC000076848907	ref	6.71	-16.35	0	244.254	1.959	2	4	2	O=C(Nc1nc[nH]n1)[C@@H]1CCOc2ccccc21
365632094	ZINC000172883820	low	4.85	-38.34	1	292.379	1.038	2	3	6	COC[C@@H]1C[N@@H+]([C@@H](C)C(=O)NCc2ccccc2)CCO1
365632098	ZINC000172883820	low	4.89	-38.76	1	292.379	1.038	2	3	6	COC[C@@H]1C[N@H+]([C@@H](C)C(=O)NCc2ccccc2)CCO1
365632109	ZINC000172884344	ref	4.11	-12.72	0	289.379	1.763	3	3	7	CC(C)NC(=O)c1ccc(NCC(=O)NCC2CC2)cc1
365632114	ZINC000172886948	ref	2.19	-14.14	0	299.396	1.291	2	3	6	CC(C)CNC(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
178300104	ZINC000359815750	ref	6.26	-9.96	0	240.31	2.822	2	3	3	Cc1cc2n[nH]cc2cc1NCc1ccn(C)c1
398248196	ZINC000395029709	ref	0.86	-46.8	1	239.319	0.529	2	4	5	Cc1cc(C[NH2+][C@@H]2CCCN(CCO)C2)on1
365632123	ZINC000172885497	ref	3.51	-11.73	0	275.352	1.421	0	5	4	COC[C@@H]1CN(Cc2nc3ccccc3n2C)CCO1
365632133	ZINC000172886516	ref	3.32	-8.48	0	257.28	1.812	0	3	4	COC[C@@H]1CN(Cc2cccc(F)c2F)CCO1
365632145	ZINC000172885404	ref	3.5	-43.45	-1	283.328	1.977	0	4	3	Cc1cc(S(=O)(=O)[N-]c2cnn(C)c2)cc(C)c1F
398248197	ZINC000395029709	high	-0.31	-6.92	0	239.319	0.529	2	5	5	Cc1cc(CN[C@@H]2CCCN(CCO)C2)on1
365632152	ZINC000172885404	mid	3.49	-11.2	0	283.328	1.977	1	4	3	Cc1cc(S(=O)(=O)Nc2cnn(C)c2)cc(C)c1F
178300118	ZINC000360412596	ref	1.33	-23.71	0	232.243	0.685	3	3	3	Cc1cc2n[nH]cc2cc1NC(=O)CC(N)=O
365632159	ZINC000172887973	ref	4.37	-10.27	0	256.367	1.722	1	3	5	Cc1ccc(CCS(=O)(=O)[C@@H](C)[C@H](C)O)cc1
282121977	ZINC000171039008	high	4.32	-14.43	0	320.441	1.075	2	5	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)CN1CCCCC1)CC2
349534390	ZINC000602429605	mid	7.4	-37.49	1	227.329	2.375	1	3	4	COC(=O)c1csc(C[N@@H+](C)C(C)C)c1
282121980	ZINC000113612987	ref	7.54	-50.65	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3CCC[N@H+]3C[C@@H]1C)CC2
343994898	ZINC000139444958	ref	2.41	-7.47	0	156.229	0.564	1	2	3	CCCN1CN[C@@H](CC)C1=O
365632167	ZINC000172887964	ref	3.91	-13.48	0	256.367	1.722	1	3	5	Cc1ccc(CCS(=O)(=O)[C@@H](C)[C@@H](C)O)cc1
214183445	ZINC000293555653	ref	3.04	-16.35	0	351.388	0.061	1	8	4	COC(=O)c1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)cnc1C
214183448	ZINC000293551032	ref	1.81	-54.74	1	368.415	0.375	2	5	3	Cc1c(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]
214183451	ZINC000293544869	ref	1.26	-13.88	0	354.354	0.584	1	5	3	CC(C)[C@@H]1C(=O)NCCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F
214183455	ZINC000293548140	ref	-0.31	-19.14	0	372.424	0.427	3	7	7	COC(=O)c1ccc(C(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)[nH]1
214183458	ZINC000293545299	ref	0.77	-9.3	0	350.16	0.264	2	4	4	CC(C)[C@H](NC(=O)c1c(I)cnn1C)C(N)=O
214183461	ZINC000293547365	ref	2.37	-24.04	0	374.485	0.827	3	4	7	CNC(=O)[C@H](NC(=O)CN1CCCNC(=O)[C@@H]1CC(C)C)c1ccccc1
214183465	ZINC000293547365	low	4.32	-43.39	1	374.485	0.827	4	3	7	CNC(=O)[C@H](NC(=O)C[N@@H+]1CCCNC(=O)[C@@H]1CC(C)C)c1ccccc1
214183468	ZINC000293547365	low	4.37	-46.52	1	374.485	0.827	4	3	7	CNC(=O)[C@H](NC(=O)C[N@H+]1CCCNC(=O)[C@@H]1CC(C)C)c1ccccc1
214190396	ZINC000053603693	ref	3.81	-5.97	0	338.864	2.98	0	6	5	Clc1ccc(CN2CCN(Cc3noc(C4CC4)n3)CC2)s1
214190399	ZINC000053603693	low	6.23	-42.07	1	338.864	2.98	1	5	5	Clc1ccc(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)s1
214190403	ZINC000053603448	ref	3.91	-17.38	0	347.387	1.313	1	3	3	C[C@@H](NC(=O)N1CCN(S(C)(=O)=O)CC1)c1ccc(F)c(F)c1
230724985	ZINC000414281483	high	5.21	-9.17	0	321.367	3.4	2	3	7	COc1cc([C@@H](C)NC[C@H](CO)c2ccc(F)cc2)ccc1F
342594791	ZINC000590770624	ref	5.45	-36.94	1	288.395	1.001	2	4	2	O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2cc3c(nn2)CCC3)CC1
282121978	ZINC000411275732	high	10.81	-84.39	2	315.505	3.056	2	1	6	CN(C)C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1
282121979	ZINC000425614440	ref	11.73	-36.75	1	320.436	3.236	1	1	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1Cc2ccccc21
214190407	ZINC000053599542	ref	7.87	-11.41	0	329.791	3.074	1	6	5	COc1ccnc(N[C@@H](c2ccc(Cl)cc2)c2nccn2C)n1
214190408	ZINC000053599542	low	8.36	-33.2	1	329.791	3.074	1	5	5	COc1ccnc(N[C@@H](c2ccc(Cl)cc2)c2[nH+]ccn2C)n1
214190411	ZINC000053602379	ref	7.01	-41.04	1	329.469	3.387	2	3	4	C[C@H]1C[C@H](C)C[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1
343993697	ZINC000599269592	ref	6.61	-44.34	1	287.4	1.438	2	4	8	CCOC(=O)C[C@@H](O)C[NH+]1CCC(OCC(C)C)CC1
214190414	ZINC000053602379	high	5.01	-10.43	0	329.469	3.387	1	4	4	C[C@H]1C[C@H](C)CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1
282121981	ZINC000425614440	high	9.93	-6.89	0	320.436	3.236	0	2	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1Cc2ccccc21
365632085	ZINC000625065314	ref	4.98	-26.4	0	319.38	2.336	2	3	5	CN(CC(=O)NC(C)(C)C)CC(=O)c1c[nH]c2ccc(F)cc12
282121982	ZINC000425600643	ref	10.58	-40.27	1	340.398	2.918	1	2	4	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)C(=O)c1ccc(F)cc1
342087981	ZINC000048411777	ref	1.4	-10.31	0	299.396	1.086	1	4	4	C[C@H]1CN(S(=O)(=O)N[C@@H](C)c2cccnc2)C[C@H](C)O1
342087982	ZINC000121124353	ref	3.67	-15.14	0	257.293	1.072	2	3	4	O=C(Cc1cc[nH]n1)NC[C@H]1Cc2ccccc2O1
282121985	ZINC000425600643	mid	8.69	-7.29	0	340.398	2.918	0	3	4	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)C(=O)c1ccc(F)cc1
342087983	ZINC000617966013	ref	2.81	-11.5	0	281.352	1.66	2	4	8	CC[C@@H](O)CC(=O)N[C@@H](COC)c1cccc(OC)c1
342087984	ZINC000618611668	ref	5.26	-14.0	0	271.311	1.741	1	3	4	Cc1nn(C)c(C)c1CC(=O)NC[C@@]1(C)CC1(F)F
342087985	ZINC000127137409	ref	4.02	-13.22	0	292.379	1.88	3	3	4	C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC[C@]1(C)CO
342087986	ZINC000127124957	ref	6.06	-17.86	0	292.383	1.084	2	4	6	CC(C)(NC(=O)Cn1ccnc1)C(=O)NCC1CCCC1
365632093	ZINC000625063152	ref	6.5	-9.45	0	320.437	2.196	0	6	4	CC(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N1CC2(CCCO2)C1
365632102	ZINC000625065346	ref	4.24	-18.3	0	304.39	2.222	2	3	4	CCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)cccc2O)C1
365632106	ZINC000625065346	high	5.02	-62.05	-1	304.39	2.222	1	3	4	CCCC(=O)N[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1
230725018	ZINC000414279506	ref	8.64	-16.11	0	313.507	3.353	0	2	7	CC(C)CN(C(=O)C[S@@](=O)CC1(C)CCCCC1)C1CC1
365632113	ZINC000625063744	ref	5.69	-10.17	0	311.385	2.324	2	3	6	Cc1ccccc1C[C@@H](C)C(=O)NCC(=O)Nc1cccnc1
365632121	ZINC000625066810	ref	3.98	-12.25	0	312.772	2.041	1	3	2	O=C1[C@@H](N2CCC[C@@H](O)C2)CCN1c1ccc(Cl)cc1F
365632126	ZINC000625066810	low	6.36	-38.57	1	312.772	2.041	2	2	2	O=C1[C@@H]([N@@H+]2CCC[C@@H](O)C2)CCN1c1ccc(Cl)cc1F
365632131	ZINC000625066810	low	6.15	-43.53	1	312.772	2.041	2	2	2	O=C1[C@@H]([N@H+]2CCC[C@@H](O)C2)CCN1c1ccc(Cl)cc1F
365632137	ZINC000625064284	ref	-0.17	-9.66	0	319.361	2.152	1	6	6	COc1nc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)co1
342087987	ZINC000127124957	low	6.57	-43.76	1	292.383	1.084	2	3	6	CC(C)(NC(=O)Cn1cc[nH+]c1)C(=O)NCC1CCCC1
365632141	ZINC000625064284	mid	2.25	-36.6	1	319.361	2.152	2	5	6	COc1nc(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)co1
230725022	ZINC000425429196	ref	6.22	-12.05	0	302.353	2.21	2	3	6	O=C(NCCCn1cccn1)N[C@H]1C[C@]1(F)c1ccccc1
343994899	ZINC000625564073	mid	3.43	-41.04	1	238.291	-0.166	2	3	6	CNC(=O)CCCNC(=O)Cn1c[nH+]cc1C
342087988	ZINC000051819359	ref	5.63	-15.42	0	251.326	1.521	1	3	5	Cc1cc(C)cc(OCC(=O)N(C)C[C@@H](C)O)c1
282121983	ZINC000113612987	mid	6.84	-52.66	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1C[C@@H]3CCC[N@@H+]3C[C@@H]1C)CC2
282121984	ZINC000171087927	ref	7.4	-15.45	0	314.393	1.489	1	5	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCn3cccc3[C@@H]1C)CC2
361823698	ZINC000035782242	ref	3.82	-45.12	1	253.733	2.213	3	1	2	O=C(Nc1ccccc1Cl)NC1CC[NH2+]CC1
361823703	ZINC000035898237	ref	5.08	-18.5	0	256.305	2.015	1	3	3	O=C1CCN(CC(=O)c2c[nH]c3ccccc23)CC1
178300109	ZINC000237139516	high	-0.24	-11.66	0	364.265	1.214	3	4	6	CNCCNS(=O)(=O)c1cc(Br)c(NC(C)=O)cc1C
342087989	ZINC000625368425	ref	5.19	-45.07	1	286.441	1.889	2	2	7	C=CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1
342087990	ZINC000625368425	mid	5.25	-45.09	1	286.441	1.889	2	2	7	C=CCCS(=O)(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1
361823716	ZINC000035802407	ref	9.05	-41.57	1	280.371	2.361	1	2	4	O=C(CN1CCc2ccccc2C1)NCc1ccccc1
361823723	ZINC000035802407	mid	9.05	-41.55	1	280.371	2.361	2	1	4	O=C(C[N@@H+]1CCc2ccccc2C1)NCc1ccccc1
361823726	ZINC000035802407	mid	9.05	-41.55	1	280.371	2.361	2	1	4	O=C(C[N@H+]1CCc2ccccc2C1)NCc1ccccc1
361823732	ZINC000035930605	ref	7.17	-41.27	1	294.439	2.04	1	3	4	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCN1CCOCC1)C2
361823739	ZINC000035930605	mid	7.17	-41.27	1	294.439	2.04	2	2	4	CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CC[NH+]1CCOCC1)C2
361823745	ZINC000035875025	ref	7.31	-49.51	1	263.297	2.019	2	3	5	O=C(CC[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1
361823753	ZINC000035793621	ref	2.4	-7.99	0	260.259	2.23	2	1	4	C[C@@H]([NH2+][C@H](C)c1ccccc1C(F)(F)F)C(N)=O
361823756	ZINC000035793621	mid	2.4	-7.99	0	260.259	2.23	2	2	4	C[C@@H](N[C@H](C)c1ccccc1C(F)(F)F)C(N)=O
361823761	ZINC000035780888	ref	4.68	-12.26	0	258.325	2.474	2	4	5	CCn1cc(NCc2ccc(NC(C)=O)cc2)cn1
361823769	ZINC000035792852	ref	3.43	-9.76	0	264.369	2.246	2	2	7	CC(C)COc1ccc([C@H](C)[NH2+][C@@H](C)C(N)=O)cc1
361823772	ZINC000035792852	high	3.43	-9.76	0	264.369	2.246	2	3	7	CC(C)COc1ccc([C@H](C)N[C@@H](C)C(N)=O)cc1
361823776	ZINC000035929140	ref	2.44	-18.72	0	298.277	2.452	1	5	4	O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccncc2)o1
282121986	ZINC000134094977	ref	6.86	-49.96	1	334.468	1.178	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1)CC2
365632087	ZINC000367180189	ref	6.48	-11.57	0	297.33	1.271	0	5	4	CCOC(=O)C1(F)CN(C(=O)c2cc(C(C)C)n(C)n2)C1
178300112	ZINC000237148694	ref	3.74	-52.95	1	370.519	1.943	3	4	10	CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)[C@@H](C)C[NH2+]C
178300113	ZINC000237153315	ref	9.69	-68.28	-1	369.421	1.984	0	6	4	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1
398248192	ZINC000650870458	high	3.12	-9.28	0	269.389	1.15	1	3	5	CN(CCN1CCCCC1)C(=O)NCC1(C)COC1
365632096	ZINC000354699745	ref	7.4	-45.71	1	298.333	1.862	2	2	6	C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC(F)F
398248195	ZINC000650869248	ref	4.51	-14.04	0	286.322	1.92	2	2	6	C[C@@H](CCO)N(C)C(=O)NCCc1cccc(F)c1F
346818813	ZINC000589955076	ref	7.37	-9.53	0	268.36	3.496	1	2	3	CC(C)c1cc(C(=O)N[C@@H]2C[C@H]2C)c2ccccc2n1
398248199	ZINC000650869937	ref	3.59	-10.9	0	282.388	1.937	2	4	6	CC(C)n1cc([C@H](C)NC(=O)N(C)[C@@H](C)CCO)cn1
365632104	ZINC000354699745	mid	4.69	-11.22	0	298.333	1.862	2	2	6	C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC(F)F
365632110	ZINC000354699745	high	4.69	-11.22	0	298.333	1.862	1	3	6	C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)COC(F)F
365632116	ZINC000354699558	ref	5.34	-12.11	0	289.326	1.874	0	4	7	COCCCN(C)C(=O)c1c(C)nn(CC(F)F)c1C
365632128	ZINC000354699742	ref	7.46	-45.29	1	298.333	1.862	2	2	6	C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COC(F)F
365632134	ZINC000354699742	mid	5.03	-10.77	0	298.333	1.862	2	2	6	C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC(=O)COC(F)F
365632140	ZINC000354699742	high	5.03	-10.77	0	298.333	1.862	1	3	6	C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)COC(F)F
365632148	ZINC000354699081	ref	6.06	-10.04	0	252.358	1.358	0	2	1	CC(=O)N1CC(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)C1
342087991	ZINC000625368425	high	2.27	-8.84	0	286.441	1.889	1	3	7	C=CCCS(=O)(=O)NC[C@@H]1CCN1C1CCCCC1
365632154	ZINC000354698941	ref	3.96	-9.22	0	256.309	1.791	2	3	4	C[NH+](C)Cc1ccc(NC(=O)c2cncnc2)cc1
398248202	ZINC000650870542	ref	4.14	-9.59	0	270.373	1.622	1	3	4	CC(C)O[C@H]1CCCN(C(=O)NCC2(C)COC2)C1
365632162	ZINC000354698941	high	3.96	-9.22	0	256.309	1.791	1	4	4	CN(C)Cc1ccc(NC(=O)c2cncnc2)cc1
398248207	ZINC000650869786	ref	4.31	-13.95	0	267.373	1.2	2	2	5	CCN1C[C@H](CNC(=O)NC[C@H]2CC2(C)C)CC1=O
342087992	ZINC000048411363	ref	2.98	-14.66	0	281.341	1.371	0	8	5	c1ncn(Cc2nnc(SC[C@H]3CCCCO3)o2)n1
365632088	ZINC000274349230	ref	1.72	-16.19	0	275.301	1.092	1	4	6	CCC(=O)CNS(=O)(=O)c1ccc(OC)c(F)c1
178300117	ZINC000237154077	ref	7.5	-47.62	1	356.426	1.834	2	5	5	CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cn1
214183447	ZINC000278483414	ref	3.46	-46.39	1	316.279	1.186	2	3	5	C[C@@](O)(C[NH2+]CCN1C(=O)c2ccccc2C1=O)C(F)(F)F
365632101	ZINC000274351438	ref	7.09	-24.56	0	279.315	1.95	1	3	3	CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cccc(F)n1
230725042	ZINC000414279057	ref	7.42	-13.32	0	309.475	3.367	1	2	6	CC(C)CNC(=O)c1cccc(C[S@](=O)CC(C)(C)C)c1
230725045	ZINC000414279448	ref	12.13	-48.37	1	314.477	3.116	1	3	6	CN(C)c1ncc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)n1C
230725048	ZINC000414279448	low	12.6	-101.97	2	314.477	3.116	1	2	6	CN(C)c1[nH+]cc(C[NH2+]CCc2ccc(C(C)(C)C)cc2)n1C
365632115	ZINC000274349161	ref	2.9	-9.54	0	293.363	1.697	1	4	5	CCOc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)cc1
365632124	ZINC000274352266	ref	1.89	-5.86	0	293.367	1.507	0	6	4	CC(C)COc1cncc(N2CCO[C@@]3(CCOC3)C2)n1
230725057	ZINC000414279302	ref	7.78	-19.17	0	323.502	3.192	1	2	8	CCCC[S@](=O)CC(=O)NCCc1ccc(C(C)(C)C)cc1
365632138	ZINC000274350178	ref	4.25	-12.45	0	276.34	1.946	2	4	4	CCO[C@H]1C[C@H](NC(=O)Nc2cncnc2)C12CCC2
365632147	ZINC000274352048	ref	2.28	-10.68	0	299.321	1.835	3	2	5	CC(C)[C@@H](NC(=O)N[C@@H](C)c1c(F)cccc1F)C(N)=O
365632165	ZINC000274350157	ref	5.11	-6.34	0	264.329	1.308	1	4	4	CCN(C(=O)C(=O)Nc1cncnc1)[C@H](C)C(C)C
178300120	ZINC000237154077	mid	6.13	-14.09	0	356.426	1.834	2	6	5	CCOC(=O)C(C)(C)n1cc(NC(=O)[C@H]2Cc3ccccc3CN2)cn1
365632175	ZINC000274350181	ref	4.31	-11.96	0	274.276	1.073	2	4	3	COC(=O)C1(C(=O)Nc2ccc3c(c2)CC(=O)N3)CC1
365632183	ZINC000274350163	ref	2.58	-10.77	0	278.312	1.284	2	5	3	O=C(NC[C@H]1COC2(CCCC2)O1)Nc1cncnc1
178300122	ZINC000237151408	ref	6.88	-51.15	-1	369.215	1.559	1	4	5	CN1C[C@H](C(=O)N[C@H](CC(=O)[O-])c2cccc(Br)c2)CC1=O
365632191	ZINC000274349681	ref	3.79	-22.62	0	298.408	1.516	0	4	7	COc1cc(C)nc(C[S@@](=O)CCCC(=O)N(C)C)c1
178300125	ZINC000237141345	ref	3.07	-59.85	1	351.472	1.391	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)CC2
178300127	ZINC000237150727	ref	2.84	-12.55	0	366.487	1.838	1	6	7	COc1c(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)nn1C
365632199	ZINC000274351436	ref	7.06	-23.88	0	279.315	1.95	1	3	3	CCC(=O)N1CCCC[C@H]1C(=O)Nc1cccc(F)n1
342594792	ZINC000590770624	mid	3.26	-9.47	0	288.395	1.001	1	5	2	O[C@@H]1CCC[C@@H]1N1CCN(c2cc3c(nn2)CCC3)CC1
342594793	ZINC000194332472	ref	2.33	-15.71	0	279.365	1.275	2	4	3	C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1csc(C2CC2)n1
214183449	ZINC000337618713	ref	4.83	-9.15	0	277.368	2.457	2	3	8	CCC(CC)[C@H](CCNC(=O)c1ccc(C#N)[nH]1)OC
214183452	ZINC000337619020	ref	2.13	-41.36	-1	279.321	0.899	1	5	3	CSc1[n-]c(=O)c(C(=O)N[C@H]2CCOC2)cc1C#N
230725063	ZINC000450372321	ref	1.56	-8.23	0	312.167	1.547	3	5	4	CC(CO)(CO)Nc1ncnc2cc(Br)ccc12
214183454	ZINC000337619020	low	3.04	-19.55	0	279.321	0.899	2	5	3	CSc1[nH]c(=O)c(C(=O)N[C@H]2CCOC2)cc1C#N
214183456	ZINC000337616952	ref	6.82	-13.65	0	278.396	2.106	1	2	4	CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)C1
214183459	ZINC000337616955	ref	6.82	-14.12	0	278.396	2.106	1	2	4	CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)C1
342594794	ZINC000194332459	ref	2.58	-15.91	0	279.365	1.275	2	4	3	C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1csc(C2CC2)n1
187168761	ZINC000125090046	ref	8.77	-12.16	0	291.416	3.262	1	3	7	C[C@@H](CC(=O)c1cccs1)NC(=O)C(C1CC1)C1CC1
214183462	ZINC000337619204	ref	7.52	-7.74	0	299.349	3.025	2	3	5	Cc1cccc(NC(=O)c2ccc(NCC3CC3)nc2)c1F
214183464	ZINC000337616241	ref	4.62	-9.34	0	254.33	0.492	0	3	5	C[C@H]1CN(C(=O)CCOCC2CC2)CC(=O)N1C
361823326	ZINC000614363103	ref	4.2	-18.69	0	316.365	1.064	4	4	7	C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCc1nnc[nH]1
342594795	ZINC000616962439	ref	3.89	-21.16	0	276.336	1.157	2	3	5	CC[C@@H](Oc1ccccc1C)C(=O)N[C@H]1CCNC1=O
214183466	ZINC000337615476	ref	1.85	-16.47	0	296.327	-0.994	1	4	2	C[C@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CC(=O)N1C
214183469	ZINC000337619988	ref	1.73	-8.71	0	262.313	0.646	2	6	6	COCC[C@@](C)(O)CNc1ncnc2ccncc12
214183471	ZINC000337619855	ref	7.01	-8.07	0	280.437	3.415	2	2	5	CS[C@@H](C)CNC(=O)N[C@H](C)c1ccc(C)cc1C
214183473	ZINC000337619405	ref	4.14	-14.92	0	257.334	0.285	1	3	4	CC[C@@H](C)OCC(=O)N1CCN(C(=O)NC)CC1
214183475	ZINC000337618699	ref	6.86	-12.58	0	285.303	2.465	0	6	3	Cc1ccccc1-c1noc(=O)n1Cc1nc(C)c(C)o1
214183477	ZINC000337620284	ref	4.6	-8.59	0	262.353	2.453	2	2	3	Cc1ccc([C@@H](C)NC(=O)N[C@@H]2CCOC2)c(C)c1
342594796	ZINC000590770514	ref	4.94	-12.6	0	284.245	1.231	2	6	5	FC(F)(F)c1ccnc(NCCNc2cccnn2)n1
361823334	ZINC000614363103	mid	3.81	-16.06	0	316.365	1.064	4	4	7	C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCCc1nc[nH]n1
365632089	ZINC000576585470	ref	6.61	-7.81	0	245.363	2.528	1	2	4	C[C@@]1(CNC(=O)C2(CF)CCC2)CCCS1
365632099	ZINC000576586494	ref	5.38	-7.44	0	239.359	2.496	1	2	4	CC(C)CC1(C(=O)N[C@@H]2CO[C@@H](C)C2)CCC1
365632111	ZINC000576585426	ref	7.05	-11.63	0	213.296	2.551	0	1	6	C=CCCCN(C)C(=O)C1(CF)CCC1
365632120	ZINC000576586752	ref	-0.51	-14.32	0	245.308	-0.593	2	4	5	CCc1nnc(CNS(=O)(=O)N2CCC2)[nH]1
365632129	ZINC000576586752	mid	-0.51	-14.32	0	245.308	-0.593	2	4	5	CCc1nc(CNS(=O)(=O)N2CCC2)n[nH]1
365632136	ZINC000576594718	ref	2.71	-17.14	0	242.275	-0.325	1	4	5	CCO[C@@H](CC)C(=O)N[C@H]1CC(=O)N(C)C1=O
342087993	ZINC000609045125	ref	3.5	-7.96	0	266.37	1.17	1	5	5	CSCCNC(=O)c1ccc(N2CCCC2)nn1
214183450	ZINC000278483414	high	2.38	-9.39	0	316.279	1.186	2	4	5	C[C@@](O)(CNCCN1C(=O)c2ccccc2C1=O)C(F)(F)F
342087994	ZINC000127129112	ref	5.73	-30.2	1	296.411	1.173	2	3	8	O=C(NCCOC[C@H]1CCCO1)[C@@H](C1CC1)[NH+]1CCCC1
178305777	ZINC000049581964	low	8.13	-87.24	2	231.343	2.782	1	1	5	Cc1cc2[nH+]cn(CCCCC[NH3+])c2cc1C
365632146	ZINC000343888285	ref	6.01	-36.27	1	229.32	1.296	1	3	6	CCOC(=O)[C@H](CC)[N@H+](C)C[C@@H]1CCOC1
365632164	ZINC000343888285	mid	4.49	-7.04	0	229.32	1.296	1	3	6	CCOC(=O)[C@H](CC)[N@@H+](C)C[C@@H]1CCOC1
365632174	ZINC000343888285	mid	4.49	-7.04	0	229.32	1.296	0	4	6	CCOC(=O)[C@H](CC)N(C)C[C@@H]1CCOC1
365632184	ZINC000576585463	ref	6.62	-7.8	0	245.363	2.528	1	2	4	C[C@]1(CNC(=O)C2(CF)CCC2)CCCS1
398248198	ZINC000645409753	ref	6.2	-16.56	0	243.27	1.415	3	4	2	O=C(Nc1nc[nH]n1)c1ccc2c(c1)CCCN2
398248201	ZINC000442705836	ref	2.96	-15.12	0	245.319	0.269	1	4	7	COCCCOCC(=O)N1CC[C@@H](C)[C@H]1CO
365632193	ZINC000576585028	ref	4.14	-49.89	1	228.361	1.078	1	2	2	CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]([NH3+])C2)CCS1
365632202	ZINC000576584348	ref	0.83	-45.3	-1	244.272	0.017	2	6	4	Cc1nscc1C(=O)NC[C@@](C)(O)C(=O)[O-]
214183453	ZINC000278483377	ref	4.15	-14.36	0	318.308	2.588	2	6	6	O=[N+]([O-])c1ccc2c(c1NCCOc1ncccc1F)CCN2
168364661	ZINC000368497166	mid	10.61	-114.73	2	326.488	3.261	2	2	6	Cc1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n(C)n1
365632209	ZINC000343850443	ref	4.0	-6.64	0	227.348	2.09	2	2	6	CC(C)(C)C[C@H](O)CNC(=O)CCC1CC1
365632220	ZINC000576586928	ref	4.51	-39.88	1	239.363	0.539	2	1	6	CCCN(CC[NH+](C)C)C(=O)[C@]12C[C@H]1CC[NH2+]2
365632227	ZINC000576586928	high	4.51	-39.88	1	239.363	0.539	1	2	6	CCCN(CCN(C)C)C(=O)[C@]12C[C@H]1CC[NH2+]2
365632236	ZINC000576584536	ref	2.1	-8.92	0	233.271	0.143	1	3	1	CNC(=O)C(=O)N1CC[C@@H](c2cccnc2)C1
398248205	ZINC000183533155	ref	3.86	-7.21	0	242.363	2.433	2	2	5	CCC[C@H](CC)NC(=O)N[C@@H]1CCCOCC1
214183457	ZINC000278484164	ref	4.89	-11.91	0	322.449	3.477	3	3	6	COc1cc(C)c(NC(=O)NCC(C)(C)[C@H](O)C(C)C)cc1C
214183460	ZINC000278483379	ref	9.91	-14.39	0	307.39	2.937	0	4	7	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)CCc1ccco1
343993699	ZINC000079915174	ref	6.57	-13.15	0	264.373	2.154	1	4	7	CCN(CC)C(=O)CCCNc1cc(C)nc(C)n1
361823654	ZINC000612425360	ref	4.61	-8.83	0	317.429	2.258	2	3	5	CC1(C)C[C@@]1(C(=O)NC[C@@H](O)C1CCOCC1)c1ccccc1
343993705	ZINC000079915174	mid	6.97	-35.45	1	264.373	2.154	1	3	7	CCN(CC)C(=O)CCCNc1cc(C)[nH+]c(C)n1
343994923	ZINC000599274559	ref	3.55	-39.14	1	287.4	1.173	3	4	9	COC(=O)CC[N@H+](CC(C)C)C[C@@H](O)CC1(O)CCC1
214183472	ZINC000278483267	ref	5.85	-14.01	0	315.339	3.272	2	2	2	O=C(N[C@H]1CCCc2c[nH]nc21)C1CCC(C(F)(F)F)CC1
214183474	ZINC000278483267	mid	5.87	-11.44	0	315.339	3.272	2	2	2	O=C(N[C@H]1CCCc2cn[nH]c21)C1CCC(C(F)(F)F)CC1
214183476	ZINC000278484419	ref	6.88	-47.1	1	317.412	1.971	1	4	4	Cc1nc(F)ccc1CN1CCC[N@@H+](Cc2cnn(C)c2)CC1
214183478	ZINC000278484419	mid	7.08	-46.72	1	317.412	1.971	1	4	4	Cc1nc(F)ccc1CN1CCC[N@H+](Cc2cnn(C)c2)CC1
282121987	ZINC000114478714	ref	5.3	-41.46	1	293.333	1.033	1	2	4	C[NH+](C)C[C@@H]1CCN([C@@H]2CCN(CC(F)(F)F)C2=O)C1
214183480	ZINC000278484419	mid	5.06	-9.74	0	317.412	1.971	0	5	4	Cc1nc(F)ccc1CN1CCCN(Cc2cnn(C)c2)CC1
214183481	ZINC000278484419	mid	6.41	-48.71	1	317.412	1.971	1	4	4	Cc1nc(F)ccc1C[N@H+]1CCCN(Cc2cnn(C)c2)CC1
365639078	ZINC000576605871	ref	3.11	-8.87	0	228.336	1.901	2	2	6	COCC[C@H](C)CNC(=O)NC1(C)CCC1
349534391	ZINC000594966870	mid	6.61	-8.56	0	255.321	2.88	1	4	4	Cc1nocc1CNC(C)(C)c1cccc(C#N)c1
214183483	ZINC000278484419	mid	7.14	-49.99	1	317.412	1.971	1	4	4	Cc1nc(F)ccc1C[N@@H+]1CCCN(Cc2cnn(C)c2)CC1
349534395	ZINC000594967243	ref	8.62	-61.29	1	265.36	2.902	1	2	5	Cc1cc(C[NH2+]CCc2cnccc2C)ccc1C#N
190493276	ZINC000269423806	ref	5.55	-8.72	0	250.367	2.44	1	3	3	CC(C)c1ccc(C(=O)N[C@H]2CCSC2)cn1
214183485	ZINC000278484046	ref	-0.18	-8.32	0	313.423	1.907	2	6	5	CCOC(=O)N[C@@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1
323004431	ZINC000561583734	ref	2.47	-9.82	0	245.298	0.653	2	2	3	C[C@@H](NC(=O)N[C@@H]1CC[C@@H](F)C1)C(=O)N(C)C
349534397	ZINC000594967300	ref	8.75	-48.86	1	265.426	2.692	1	3	10	C=CCCSCC[NH2+]Cc1ccnn1CC1CC1
361823660	ZINC000612424883	ref	4.07	-16.44	0	305.378	2.207	2	5	7	CCC(CC)[C@H](O)CNC(=O)c1cn(C)nc1-c1ccco1
365632097	ZINC000641598618	ref	3.87	-15.56	0	283.331	1.215	2	5	5	O=C1CCc2ccc(NC[C@H](CO)c3cccnc3)nc21
365632105	ZINC000641598814	ref	0.5	-14.8	0	260.359	1.936	1	4	6	CCCS(=O)(=O)NCc1oc(C(C)C)nc1C
365632118	ZINC000641597715	ref	0.08	-15.18	0	295.364	1.98	1	5	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1ccccn1
365632125	ZINC000641597715	high	-0.3	-50.76	-1	295.364	1.98	0	5	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccccn1
365632132	ZINC000641597584	ref	3.28	-19.47	0	290.429	1.21	1	3	7	CCC(CC)CS(=O)(=O)NC[C@H]1CCN(C(C)=O)C1
365632143	ZINC000641597424	ref	1.47	-9.58	0	267.329	1.648	1	4	3	Cc1nc(C(C)C)oc1CNC(=O)N1CCOCC1
349534392	ZINC000602429605	high	5.12	-5.98	0	227.329	2.375	0	4	4	COC(=O)c1csc(CN(C)C(C)C)c1
365632153	ZINC000641597570	ref	5.21	-17.14	0	276.365	1.707	2	5	3	O=c1[nH]cnc2ccc(NC[C@@H]3CCCSC3)nc12
349534394	ZINC000602430116	ref	10.35	-44.03	1	230.355	3.448	1	1	7	CC[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N
190493280	ZINC000269424218	ref	4.2	-12.51	0	276.365	2.188	1	4	2	CC(C)c1ncc(C(=O)N2CCc3n[nH]cc3C2)s1
365632158	ZINC000641597258	ref	4.04	-13.44	0	253.248	1.101	1	2	2	O=C(Cc1ccc(F)c(F)c1)N1C[C@H]2C[C@@]2(O)C1
365632169	ZINC000641598438	ref	2.96	-11.41	0	261.325	1.109	2	4	3	CC(C)Nc1ncccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
197591389	ZINC000290088506	ref	5.99	-14.2	0	270.336	2.285	0	4	1	C[C@H]1CCCN(C(=O)c2nnc3ccccc3n2)[C@H]1C
290622335	ZINC000453448519	ref	8.38	-11.8	0	278.4	2.537	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3CC[C@H](C)[C@H](C)C3)n2C)O1
365632178	ZINC000641598104	ref	0.61	-17.79	0	278.349	1.885	1	4	7	Cc1nc(C(C)C)oc1CNS(=O)(=O)CCCF
365632187	ZINC000641597585	ref	3.28	-16.81	0	290.429	1.21	1	3	7	CCC(CC)CS(=O)(=O)NC[C@@H]1CCN(C(C)=O)C1
230725111	ZINC000414279386	ref	6.1	-13.47	0	301.496	3.399	1	2	6	CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)CC1(C)CCCCC1
219047877	ZINC000350683889	low	9.46	-34.92	1	287.338	3.386	1	2	3	CC1(C)CC(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)C1
230725115	ZINC000414279185	ref	3.55	-13.43	0	314.794	3.128	0	5	6	CCO[C@@H](C)c1noc(C[S@](=O)c2ccccc2Cl)n1
178300123	ZINC000360412596	mid	1.22	-22.24	0	232.243	0.685	3	3	3	Cc1cc2[nH]ncc2cc1NC(=O)CC(N)=O
365632194	ZINC000641598420	ref	6.56	-17.34	0	287.363	1.627	1	2	2	CC(=O)N1CC[C@H](CNC(=O)N2CCc3ccccc32)C1
365632204	ZINC000641597657	ref	3.17	-19.63	0	288.413	1.107	1	3	4	CC(=O)N1CC[C@H](CNS(=O)(=O)C2CCCCC2)C1
365632210	ZINC000641598207	ref	6.43	-14.45	0	260.341	1.056	1	4	4	CC(=O)N1CC[C@@H](CNc2cc(C3CC3)ncn2)C1
299072154	ZINC000459274044	mid	9.78	-42.63	1	319.449	2.569	2	2	6	COc1ccccc1CN(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1
342087995	ZINC000127129112	high	3.25	-7.42	0	296.411	1.173	1	4	8	O=C(NCCOC[C@H]1CCCO1)[C@@H](C1CC1)N1CCCC1
282121988	ZINC000134094977	mid	6.81	-50.54	1	334.468	1.178	3	4	5	Cc1nc2n(n1)C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)CC2
230725092	ZINC000425423616	ref	3.78	-13.89	0	303.309	2.315	0	6	7	CCOC(=O)CN(Cc1nc(C(F)F)no1)C1CCCC1
282121990	ZINC000184491937	ref	7.61	-17.39	0	315.352	1.813	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCc3c(F)cccc31)CC2
361823655	ZINC000631564050	ref	4.29	-11.39	0	265.353	1.787	2	3	6	Cc1cccc(CO[C@H](C)C(=O)NCC(C)(C)O)c1
361823665	ZINC000036369503	ref	2.52	-7.98	0	274.773	1.276	0	3	2	CN1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
361823672	ZINC000036369503	low	4.86	-44.38	1	274.773	1.276	1	2	2	C[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2)CC1
361823676	ZINC000640340921	ref	0.49	-13.72	0	265.338	1.611	3	3	2	CC(C)(CO)NC(=O)N=c1[nH]sc2ccccc12
361823680	ZINC000640340921	mid	1.21	-49.78	-1	265.338	1.611	2	3	2	CC(C)(CO)NC(=O)N=c1[n-]sc2ccccc12
361823685	ZINC000629302560	ref	4.0	-55.62	-1	287.385	1.285	0	5	7	CCO[C@H](CS(=O)(=O)[N-]c1nn(C)cc1C)C1CC1
342087996	ZINC000127128459	ref	5.55	-34.65	1	296.411	1.173	2	3	8	O=C(NCCOC[C@@H]1CCCO1)[C@H](C1CC1)[NH+]1CCCC1
361823690	ZINC000629302560	low	3.98	-14.51	0	287.385	1.285	1	5	7	CCO[C@H](CS(=O)(=O)Nc1nn(C)cc1C)C1CC1
342087997	ZINC000127128459	high	3.2	-10.6	0	296.411	1.173	1	4	8	O=C(NCCOC[C@@H]1CCCO1)[C@H](C1CC1)N1CCCC1
342087998	ZINC000622702344	ref	3.13	-13.44	0	252.358	1.455	2	2	3	CC1(C)CCC(C(=O)NC[C@H]2CNC(=O)C2)CC1
342087999	ZINC000609039556	ref	5.76	-16.92	0	260.228	1.124	0	6	3	COC(=O)c1cn(Cc2ccc(C#N)cc2F)nn1
342088000	ZINC000121160205	ref	3.36	-57.0	1	263.341	1.293	3	2	6	C[NH2+]CCCNC(=O)c1ccc(C)c(NC(C)=O)c1
342088001	ZINC000609044672	ref	7.4	-20.35	0	295.408	1.929	1	4	6	Cc1ccnc(NC(=O)CN(C)C(=O)CSC(C)C)c1
342088002	ZINC000622702313	ref	2.16	-12.21	0	261.325	1.071	2	3	4	CC(C)c1ccc(C(=O)NC[C@H]2CNC(=O)C2)nc1
361823694	ZINC000439636064	ref	0.8	-12.79	0	289.27	1.376	3	4	4	O=C(CNC(=O)Nc1cncc(F)c1)Nc1cccnc1
361823700	ZINC000629302212	ref	4.84	-58.51	-1	275.37	1.442	0	4	4	CC(C)C1(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])CC1
361823705	ZINC000629301246	ref	5.43	-56.15	-1	291.413	1.985	1	4	8	CCC(C)(C)CS(=O)(=O)N[C@H](CC1CCC1)C(=O)[O-]
282121989	ZINC000408311062	ref	6.43	-56.84	1	313.467	1.674	1	3	5	C[NH+](C)C[C@@H]1CCN(S(=O)(=O)CC2(C#N)CCCCC2)C1
214183479	ZINC000337616880	ref	2.78	-45.79	1	295.358	0.616	2	3	7	O=C(CN1CC[NH2+]CC1)NCCCOc1ccccc1F
214183482	ZINC000337616880	high	1.41	-11.37	0	295.358	0.616	2	4	7	O=C(CN1CCNCC1)NCCCOc1ccccc1F
342088003	ZINC000127157208	ref	2.92	-10.66	0	299.758	1.106	2	3	6	CNC(=O)NCC(=O)N(C)CCOc1ccc(Cl)cc1
398248200	ZINC000390779414	ref	4.56	-14.14	0	236.304	0.247	1	7	2	C[C@H]1SCC[C@H]1Nc1ccc2nnnn2n1
342088004	ZINC000609045240	ref	6.66	-17.65	0	281.381	1.54	1	4	6	CSCCC(=O)N(C)CC(=O)Nc1cc(C)ccn1
342088005	ZINC000127151669	ref	4.0	-16.87	0	250.298	1.111	1	3	3	CCc1cc(C)c(C(=O)N[C@@H]2CCN(C)C2=O)o1
342088006	ZINC000067707250	ref	2.06	-8.28	0	281.356	1.151	1	5	6	CC(C)C[C@H](CNC(=O)c1ccon1)N1CCOCC1
342088007	ZINC000067707250	low	4.1	-39.42	1	281.356	1.151	2	4	6	CC(C)C[C@H](CNC(=O)c1ccon1)[NH+]1CCOCC1
342088008	ZINC000310083631	ref	2.34	-9.82	0	253.327	1.42	1	4	5	CCC[C@H](C)NS(=O)(=O)c1cncc(C#N)c1
342088009	ZINC000121123722	ref	2.62	-41.56	1	280.372	1.686	2	4	3	C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1nc(C(C)(C)C)no1
214183484	ZINC000337618672	ref	6.81	-8.63	0	273.38	2.338	1	3	4	C[C@H]1CC[C@H](C)N1C(=O)c1ccc(NCC2CC2)nc1
398248204	ZINC000313443299	ref	8.06	-42.26	1	249.402	3.177	1	2	6	CCC[C@@H]([NH2+]Cc1cn(C)nc1C)C1CCCC1
342088010	ZINC000121137637	ref	2.0	-7.44	0	278.352	1.745	3	3	4	Cc1ccc2c(c1)[C@@H](NC(=O)N[C@H](CO)C(C)C)CO2
214183486	ZINC000337618779	ref	2.71	-12.04	0	290.285	2.381	2	3	6	CC[C@H](O)CCCNC(=O)c1ccncc1C(F)(F)F
342088011	ZINC000625368417	ref	4.23	-13.83	0	274.328	1.505	0	7	3	C[C@H]1c2nncn2CCN1Cc1noc(C2CCC2)n1
342088012	ZINC000127152667	ref	4.25	-20.52	0	270.691	1.44	1	2	2	CN1CC[C@H](NC(=O)c2ccc(F)c(Cl)c2)C1=O
365632107	ZINC000617413695	high	1.38	-47.39	-1	292.383	0.942	1	4	4	Cc1nc(C)c(CCC(=O)N[C@H]2CCCN(C)C2)c(=O)[n-]1
214183488	ZINC000337615426	ref	7.51	-6.61	0	295.386	3.269	2	2	3	C[C@@]1(NC(=O)c2cc(C3CC3)n[nH]2)CCCc2ccccc21
342088013	ZINC000617966014	ref	2.81	-11.52	0	281.352	1.66	2	4	8	CC[C@@H](O)CC(=O)N[C@H](COC)c1cccc(OC)c1
214183490	ZINC000337617792	ref	2.99	-10.82	0	279.327	2.06	2	3	6	CC(C)[C@H](O)CC(=O)N[C@H]1CCCC[C@@H]1OC(F)F
342088014	ZINC000379379856	ref	2.69	-5.45	0	281.2	1.998	1	4	4	CSCCNC(=O)c1ncc(Br)s1
398248206	ZINC000395033732	ref	3.14	-11.07	0	243.303	2.217	1	3	4	C/C=C/CNc1ccc(S(C)(=O)=O)cc1F
342594797	ZINC000616962441	ref	3.89	-21.0	0	276.336	1.157	2	3	5	CC[C@@H](Oc1ccccc1C)C(=O)N[C@@H]1CCNC1=O
365632117	ZINC000617415074	ref	6.55	-50.39	1	281.4	0.701	2	2	4	CC(C)CN1C[C@@H](C(=O)N[C@H]2CCC[N@H+](C)C2)CC1=O
365632122	ZINC000617415074	mid	6.01	-48.3	1	281.4	0.701	2	2	4	CC(C)CN1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](C)C2)CC1=O
365632130	ZINC000617415074	high	3.66	-11.8	0	281.4	0.701	1	3	4	CC(C)CN1C[C@@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O
168364662	ZINC000368498474	ref	10.43	-45.75	1	340.471	3.466	1	4	6	COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1
365632139	ZINC000617414977	ref	7.99	-49.18	1	286.339	0.486	2	5	3	C[N@@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1
282121991	ZINC000171050940	ref	6.68	-17.29	0	329.379	2.027	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@@H]1CCc3cc(F)ccc31)CC2
282123627	ZINC000338089931	ref	5.42	-41.25	1	327.513	2.451	4	2	8	CCC(CC)(CO)CNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1
230725129	ZINC000450375549	ref	7.02	-15.32	0	319.311	1.736	1	3	3	C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CC(=O)N(c2c(F)cccc2F)C1
342594798	ZINC000590771131	ref	2.47	-13.39	0	280.324	1.149	2	5	7	COC(=O)c1cncc(C(=O)N[C@H](C)CCCCO)c1
230725132	ZINC000450377923	ref	3.89	-17.27	0	316.467	1.599	1	3	4	CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C)[C@H](C)C2)C1
365632144	ZINC000617414977	mid	8.52	-51.94	1	286.339	0.486	2	5	3	C[N@H+]1CCC[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1
365632149	ZINC000617414977	mid	5.63	-11.7	0	286.339	0.486	1	6	3	CN1CCC[C@H](NC(=O)c2ccc(-n3cncn3)nc2)C1
365632156	ZINC000617412752	ref	7.46	-47.8	1	288.355	0.565	2	5	2	Cc1cc(C)n2nc(C(=O)N[C@H]3CCC[N@@H+](C)C3)nc2n1
365632161	ZINC000617412752	mid	8.0	-46.94	1	288.355	0.565	2	5	2	Cc1cc(C)n2nc(C(=O)N[C@H]3CCC[N@H+](C)C3)nc2n1
230725148	ZINC000450376773	ref	5.23	-16.24	0	311.403	1.397	1	5	7	COCCN(CCO)C(=O)C[C@H]1CSc2ccccc2O1
342594799	ZINC000590771095	ref	3.25	-12.97	0	287.425	1.566	2	4	6	O=C(CSC[C@H]1CCCCO1)N[C@H]1CC[C@@H](CO)C1
365632168	ZINC000617412752	mid	5.1	-16.9	0	288.355	0.565	1	6	2	Cc1cc(C)n2nc(C(=O)N[C@H]3CCCN(C)C3)nc2n1
365639079	ZINC000274369218	ref	4.09	-5.8	0	299.317	1.777	1	3	4	C[C@@H](O)C[C@H]1COCCN1C(=O)C(F)(F)c1ccccc1
365639082	ZINC000274371266	ref	4.26	-18.62	0	278.291	1.784	3	4	4	CCc1nnc([C@@H](C)NC(=O)Nc2cccc(F)n2)[nH]1
342594800	ZINC000590771576	ref	5.32	-13.53	0	266.366	1.597	0	4	4	COc1cccnc1CC(=O)N1CC[C@@H](SC)C1
219047881	ZINC000350685397	ref	3.97	-6.66	0	279.384	2.397	1	5	7	CN(CCCCO)c1cncc(OC2CCCCC2)n1
365632119	ZINC000336549883	ref	5.63	-8.52	0	275.348	2.223	0	3	1	C[C@H]1CN(C(=O)[C@]2(C)CCOC2)Cc2ccccc2O1
365632127	ZINC000336549329	ref	8.68	-13.16	0	278.396	2.038	0	2	3	O=C1CCCCCCN1CC(=O)N1CC[C@@H](C2CC2)C1
365632135	ZINC000336549773	ref	6.95	-8.67	0	268.263	2.137	0	2	2	CN1C(=O)N(Cc2ccc(F)c(F)c2)C(=O)C1(C)C
230725122	ZINC000425426358	ref	3.59	-8.25	0	309.316	2.451	0	5	5	FC(F)c1noc(CN2CCOC[C@@H]2Cc2ccccc2)n1
365632142	ZINC000336549525	ref	6.84	-33.95	1	293.333	2.017	1	1	1	CN(CC(F)(F)F)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21
197591405	ZINC000162778051	ref	5.46	-9.77	0	304.419	3.469	2	3	4	CC[C@H](NC(=O)N1CCC[C@@H]1c1ccc[nH]1)c1nccs1
365632151	ZINC000336549525	mid	7.53	-43.56	1	293.333	2.017	1	1	1	CN(CC(F)(F)F)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21
365632155	ZINC000336549525	high	4.46	-8.84	0	293.333	2.017	0	2	1	CN1CC[C@H]2[C@H](CCCN2C(=O)N(C)CC(F)(F)F)C1
365632160	ZINC000336549893	ref	6.27	-8.82	0	280.318	2.208	1	2	3	O=C1C[C@H](NCc2c(F)cccc2F)[C@@H]2CCCCN12
365632166	ZINC000336549893	mid	7.36	-47.95	1	280.318	2.208	1	1	3	O=C1C[C@H]([NH2+]Cc2c(F)cccc2F)[C@@H]2CCCCN12
365632172	ZINC000336549999	ref	2.54	-8.15	0	289.422	2.156	1	4	4	CCc1ccc(S(=O)(=O)N[C@@]2(C)CCO[C@@H]2C)s1
365632176	ZINC000336549896	ref	6.42	-8.17	0	280.318	2.208	1	2	3	O=C1C[C@@H](NCc2c(F)cccc2F)[C@H]2CCCCN12
365632180	ZINC000336549896	mid	7.38	-48.11	1	280.318	2.208	1	1	3	O=C1C[C@@H]([NH2+]Cc2c(F)cccc2F)[C@H]2CCCCN12
349534393	ZINC000621233714	ref	6.9	-11.92	0	279.384	2.18	0	4	6	CCn1ccc(C(=O)N2CC[C@@H](OCCC(C)C)C2)n1
365632185	ZINC000336549456	ref	5.86	-4.16	0	266.385	2.084	1	2	2	CC[C@H]1CCCN(C(=O)C(=O)NC2CCCCC2)C1
219047884	ZINC000350695010	ref	8.49	-7.33	0	285.453	3.08	0	3	5	CCS[C@@H]1CCCCN(C(=O)CC[C@@H]2CCCO2)C1
187168762	ZINC000125079880	ref	4.51	-13.61	0	290.319	2.151	1	4	3	C[C@]1(C(=O)Nc2ccc(N3CCOC3=O)cc2)CCCO1
282121994	ZINC000425613393	ref	9.25	-35.29	1	314.429	2.321	1	2	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1[C@H]2CCCO[C@H]21
365632189	ZINC000336549477	ref	8.99	-53.27	1	289.423	2.355	1	3	3	C[C@H](C[N@@H+]1CCc2nn(C)c(=O)cc2C1)C1CCCCC1
219047887	ZINC000350684404	ref	9.36	-43.12	1	295.377	3.159	1	2	4	FC(F)Cn1cc(C[N@@H+]2CC3C[C@H]4CC2C[C@@H](C3)C4)cn1
365632197	ZINC000336549477	mid	9.01	-53.04	1	289.423	2.355	1	3	3	C[C@H](C[N@H+]1CCc2nn(C)c(=O)cc2C1)C1CCCCC1
214183487	ZINC000278484046	low	2.41	-47.33	1	313.423	1.907	3	5	5	CCOC(=O)N[C@@H]1CCC[N@H+](Cc2cnc([C@H](C)O)s2)C1
214183489	ZINC000278484046	low	2.96	-47.92	1	313.423	1.907	3	5	5	CCOC(=O)N[C@@H]1CCC[N@@H+](Cc2cnc([C@H](C)O)s2)C1
214183491	ZINC000278483380	ref	6.58	-12.39	0	318.421	2.356	1	4	5	CCO[C@@H]1C[C@H](N(C)C(=O)NCc2cccnn2)C12CCCC2
398248209	ZINC000650870556	ref	3.18	-8.2	0	256.346	1.232	1	3	3	CC[C@@H]1CN(C(=O)NCC2(C)COC2)[C@@H](C)CO1
342594801	ZINC000616962411	ref	2.37	-17.91	0	269.304	1.162	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)cnc2ccccc12
398248211	ZINC000650870660	ref	3.77	-8.04	0	270.373	1.622	1	3	4	CC[C@H]1CN(C(=O)NCC2(C)COC2)[C@H](CC)CO1
342594802	ZINC000616962440	ref	3.87	-21.01	0	276.336	1.157	2	3	5	CC[C@H](Oc1ccccc1C)C(=O)N[C@H]1CCNC1=O
214183493	ZINC000278482764	ref	7.94	-21.19	0	314.385	2.411	1	4	5	Cc1ccc(CNC(=O)c2ccccc2OC(C)C)c(=O)n1C
214183496	ZINC000278483105	ref	4.41	-10.59	0	323.412	3.018	1	4	3	Cc1nc(F)ccc1CN1CCC[C@H](NC(=O)OC(C)(C)C)C1
214183497	ZINC000278483105	low	6.84	-54.12	1	323.412	3.018	2	3	3	Cc1nc(F)ccc1C[N@@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1
342594803	ZINC000590770313	ref	6.06	-9.28	0	259.313	1.523	0	6	3	COc1ccnc(N2CCC[C@@H](n3ccnc3)C2)n1
214183499	ZINC000278483105	low	7.48	-54.04	1	323.412	3.018	2	3	3	Cc1nc(F)ccc1C[N@H+]1CCC[C@H](NC(=O)OC(C)(C)C)C1
365632150	ZINC000625065817	ref	3.08	-10.18	0	316.511	2.008	0	4	7	CCC[C@H](C)CCCN1CCN([C@H]2CCS(=O)(=O)C2)CC1
365632157	ZINC000625065817	low	5.48	-49.0	1	316.511	2.008	1	3	7	CCC[C@H](C)CCC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1
342594804	ZINC000590770313	low	6.77	-35.22	1	259.313	1.523	0	5	3	COc1ccnc(N2CCC[C@@H](n3cc[nH+]c3)C2)n1
342594805	ZINC000367699616	ref	4.26	-8.92	0	272.348	1.572	2	3	4	C[C@@H](CCO)NC(=O)[C@]1(C#N)CCc2ccccc2C1
342594806	ZINC000590771061	ref	3.81	-8.45	0	270.336	1.452	2	5	5	Cc1nc(NC[C@@H](O)C2CC2)cc(-c2cccnc2)n1
230725128	ZINC000414280470	ref	10.52	-119.22	2	316.489	3.097	2	1	6	C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)O1
214183501	ZINC000278483578	ref	9.74	-54.64	1	306.479	2.351	1	4	5	CCc1cc(N2CCC[C@H]([NH2+]C[C@@H]3CCSC3)C2)ncn1
214183502	ZINC000278482991	ref	6.31	-19.3	0	304.39	2.676	1	3	5	COC(C)(C)CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1
197591417	ZINC000290089414	ref	6.18	-45.77	1	281.421	2.561	1	3	7	CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)CCSc1ccccc1
230725131	ZINC000414280470	mid	8.16	-45.07	1	316.489	3.097	1	2	6	C[C@@H]1C[C@H](C[NH2+]C2CCN(CCc3ccccc3)CC2)[C@@H](C)O1
365632163	ZINC000625063505	ref	-1.55	-13.35	0	317.317	2.004	1	5	4	Cc1nnc([C@@H](C)NS(=O)(=O)c2ccc(C)c(F)c2F)o1
365632170	ZINC000625063505	mid	-1.32	-48.77	-1	317.317	2.004	0	5	4	Cc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(C)c(F)c2F)o1
365632177	ZINC000625063153	ref	6.45	-11.38	0	320.437	2.196	0	6	4	CC(C)Cn1c([C@H]2CCO[C@@H]2C)nnc1N1CC2(CCCO2)C1
178300129	ZINC000002743695	ref	3.43	-35.27	-1	217.15	1.762	0	3	0	Cc1cc2nc(C(F)(F)F)cc(=O)n2[n-]1
365632182	ZINC000625063530	ref	2.89	-10.26	0	319.467	2.07	1	4	7	COCCC1(CNS(=O)(=O)[C@H]2COC(C)(C)C2)CCCC1
365632190	ZINC000625065770	ref	8.57	-34.91	1	318.461	2.498	1	3	9	CCO[C@@H](C[NH+]1CCN(CCOc2ccccc2)CC1)C1CC1
178300134	ZINC000199171387	ref	3.64	-10.17	0	239.274	3.817	1	3	1	Cc1cc2nc(-c3cccc(O)c3)oc2cc1C
185087476	ZINC000096070836	ref	4.73	-11.59	0	280.393	1.548	0	3	3	CCS(=O)(=O)N1CC2(CCN(c3ccccc3)C2)C1
365632198	ZINC000625065770	high	6.14	-4.68	0	318.461	2.498	0	4	9	CCO[C@@H](CN1CCN(CCOc2ccccc2)CC1)C1CC1
185087478	ZINC000096071393	ref	7.31	-38.84	1	264.394	2.449	1	2	1	C[N@@H+]1CCC[C@]12CCCN(C(=O)c1cccs1)C2
185087480	ZINC000096071393	mid	7.05	-38.35	1	264.394	2.449	1	2	1	C[N@H+]1CCC[C@]12CCCN(C(=O)c1cccs1)C2
178300142	ZINC000101714254	ref	6.15	-45.23	-1	225.251	2.41	0	3	1	Cc1cc2nc(-c3ccccc3)cc(=O)n2[n-]1
185087483	ZINC000096071393	high	5.36	-8.1	0	264.394	2.449	0	3	1	CN1CCC[C@]12CCCN(C(=O)c1cccs1)C2
178300147	ZINC000101714254	low	6.27	-14.79	0	225.251	2.41	1	3	1	Cc1cc2nc(-c3ccccc3)cc(=O)n2[nH]1
365632205	ZINC000625066446	ref	6.05	-10.61	0	301.456	2.421	0	4	5	Cc1ncc(S(=O)(=O)N(CC(C)C)CC(C)(C)C)n1C
178300150	ZINC000036138879	ref	6.43	-10.86	0	224.267	2.287	1	4	1	Cc1cc2nc(-c3ccccc3)cc(N)n2n1
178300154	ZINC000359819472	ref	4.2	-11.19	0	241.298	2.217	2	4	3	Cc1cc2n[nH]cc2cc1NCc1ccnn1C
398248210	ZINC000167034465	ref	5.36	-35.07	1	213.346	2.304	1	2	6	CO[C@@H](C)C[NH2+][C@H](C)Cc1ccsc1
365632212	ZINC000625067015	ref	3.7	-11.33	0	319.373	2.367	1	3	4	Cc1ccc(S(=O)(=O)N[C@@H](C)C2CCOCC2)c(F)c1F
178300167	ZINC000078400779	ref	3.93	-9.83	0	224.267	2.516	2	3	1	Cc1cc2[nH]c(-c3cccnc3)nc2cc1N
365632217	ZINC000625067015	high	3.76	-45.36	-1	319.373	2.367	0	3	4	Cc1ccc(S(=O)(=O)[N-][C@@H](C)C2CCOCC2)c(F)c1F
342594807	ZINC000194332489	ref	2.34	-15.68	0	279.365	1.275	2	4	3	C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1csc(C2CC2)n1
365632171	ZINC000354698660	ref	3.38	-15.38	0	289.441	2.0	1	3	3	CC(C)(C)C(C)(C)C(=O)NC[C@H]1CCCS(=O)(=O)C1
365632179	ZINC000354699687	ref	6.58	-46.4	1	297.309	1.392	1	5	6	Cc1nn(CC(F)F)c(C)c1C(=O)NCCn1ccnc1
342594808	ZINC000616962384	ref	3.38	-18.28	0	296.33	1.07	2	4	3	Cc1nc(-c2ccccc2)ncc1C(=O)N[C@@H]1CCNC1=O
342594809	ZINC000590771403	ref	5.29	-14.95	0	265.357	1.299	1	3	6	CCN(C)C(=O)[C@@H](NC(=O)CC1(C#N)CC1)C(C)C
342594810	ZINC000590771130	ref	2.47	-13.37	0	280.324	1.149	2	5	7	COC(=O)c1cncc(C(=O)N[C@@H](C)CCCCO)c1
365632188	ZINC000354699687	low	6.58	-46.4	1	297.309	1.392	1	4	6	Cc1nn(CC(F)F)c(C)c1C(=O)NCCn1cc[nH+]c1
197591416	ZINC000162778398	ref	2.66	-9.59	0	322.43	3.171	1	6	8	CCCc1nnc(SC[C@@H](O)COc2ccc(C)cc2C)o1
365632195	ZINC000354698417	ref	8.28	-48.38	1	290.411	1.702	1	3	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3nccn32)CC[N@@H+]1C
214183492	ZINC000337617478	ref	1.58	-11.26	0	296.367	2.151	3	4	6	COc1cc(NC(=O)N[C@@H](CO)C(C)C)c(C)c(OC)c1
365632203	ZINC000354698417	mid	8.52	-77.85	2	290.411	1.702	1	3	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3nccn32)CC[N@H+]1C
365632208	ZINC000354698417	mid	8.74	-81.75	2	290.411	1.702	1	2	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@@H+]1C
365632211	ZINC000354698417	mid	5.99	-13.24	0	290.411	1.702	1	2	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3[nH+]ccn32)CC[N@H+]1C
365632216	ZINC000354698417	high	5.99	-13.24	0	290.411	1.702	0	4	2	C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CCCc3nccn32)CCN1C
168364663	ZINC000367657724	ref	4.53	-40.24	1	249.354	2.507	2	2	5	CCC(CC)C[NH2+][C@H]1COc2ccccc2[C@H]1O
197591419	ZINC000162782122	ref	7.03	-12.62	0	311.47	2.711	1	2	4	CCN(C(=O)N1CCC[C@H](CNC(=O)C(C)(C)C)C1)C(C)C
342594811	ZINC000616962436	ref	3.04	-16.57	0	266.366	1.664	2	3	2	CC(C)(C)c1ccc(C(=O)N[C@@H]2CCNC2=O)s1
365632226	ZINC000354698359	ref	8.44	-46.14	1	270.442	1.93	1	2	5	CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCSC2)C1
365632233	ZINC000354698359	mid	8.44	-46.14	1	270.442	1.93	1	2	5	CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCSC2)C1
365632239	ZINC000354699414	ref	3.63	-8.61	0	278.352	1.265	2	4	4	Cn1cccc1C(=O)C(=O)NC[C@]1(C)CCCC[C@@H]1O
168364667	ZINC000036957659	ref	5.18	-8.96	0	234.343	2.894	2	2	6	CCC(CC)CNc1ccc(C(=O)NC)cc1
365632246	ZINC000354699358	ref	7.94	-39.03	1	292.423	1.746	0	3	2	C[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1N1CCOCC1
365632173	ZINC000172884753	ref	1.82	-7.12	0	273.764	1.229	0	5	4	COC[C@@H]1CN(Cc2c(C)nn(C)c2Cl)CCO1
178300130	ZINC000237150727	mid	3.96	-52.42	1	366.487	1.838	1	5	7	COc1c(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c(C)nn1C
214183494	ZINC000337619989	ref	1.72	-8.77	0	262.313	0.646	2	6	6	COCC[C@](C)(O)CNc1ncnc2ccncc12
214183495	ZINC000337620285	ref	4.6	-8.99	0	262.353	2.453	2	2	3	Cc1ccc([C@@H](C)NC(=O)N[C@H]2CCOC2)c(C)c1
178300131	ZINC000237141763	ref	4.57	-64.89	-1	350.396	1.955	0	7	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2nc(-c3cccs3)oc2C)C1
178300135	ZINC000237141710	ref	3.08	-58.38	1	351.472	1.391	2	3	4	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)CC2
214183498	ZINC000337617625	ref	6.21	-18.74	0	294.42	2.054	1	3	4	CC(C)C(=O)N[C@H]1CCCN(C(=O)Cc2ccsc2)C1
178300138	ZINC000237149698	ref	9.62	-53.56	1	371.397	1.273	1	6	5	C[NH2+]C[C@@H]1CCCN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O
214183500	ZINC000337619087	ref	3.0	-13.3	0	270.304	0.621	1	4	8	CN(CCOCCO)C(=O)CCc1cncc(F)c1
214183507	ZINC000337618124	ref	2.01	-14.04	0	282.25	2.227	2	5	4	CC(=O)Nc1cc(F)c(F)cc1NCc1nc(C)no1
214183509	ZINC000337616156	ref	-0.5	-42.38	1	285.348	0.051	4	5	6	Cc1noc([C@H](C)NC(=O)NC[C@](C)(O)C[NH+](C)C)n1
178300140	ZINC000237141057	ref	4.68	-52.02	1	373.478	1.964	2	3	6	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H]([NH3+])c1ccccc1)CC2
214183511	ZINC000337616156	high	-2.42	-8.27	0	285.348	0.051	3	6	6	Cc1noc([C@H](C)NC(=O)NC[C@](C)(O)CN(C)C)n1
214183512	ZINC000337615882	ref	4.74	-8.31	0	298.427	2.003	2	3	8	COCC[C@@H](C)NC(=O)[C@H](C)NC(=O)CC1CCCCC1
178300143	ZINC000237141057	high	4.33	-18.99	0	373.478	1.964	2	4	6	CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C[C@H](N)c1ccccc1)CC2
214183514	ZINC000337616325	ref	1.76	-12.21	0	259.346	0.395	2	4	7	CN(CCOCCO)C(=O)[C@@H](O)C1CCCCC1
178300145	ZINC000237147609	ref	1.29	-55.34	1	354.476	1.435	3	4	6	CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1
178300149	ZINC000237151684	ref	8.48	-52.13	-1	358.316	1.597	0	4	5	CN(CC(=O)[O-])C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
178300152	ZINC000237138312	ref	5.04	-58.98	1	360.863	1.875	1	4	4	COC(=O)c1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1
178305782	ZINC000019277388	ref	2.92	-57.79	1	219.288	0.973	2	3	3	Cc1cc2ncn(C[C@H](O)C[NH3+])c2cc1C
214183517	ZINC000337616337	ref	2.47	-10.86	0	286.278	2.067	2	4	4	O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1ncccc1O
365632181	ZINC000172887075	ref	2.35	-6.55	0	256.371	1.553	0	5	5	CCc1nc(CN2CCO[C@@H](COC)C2)cs1
365632186	ZINC000172882616	ref	2.4	-9.32	0	280.715	1.655	2	4	5	C[C@@H](CNC(=O)c1cn[nH]n1)Oc1ccccc1Cl
365632192	ZINC000172882616	mid	2.46	-11.0	0	280.715	1.655	2	4	5	C[C@@H](CNC(=O)c1cnn[nH]1)Oc1ccccc1Cl
187168763	ZINC000125084163	ref	5.57	-43.25	1	292.404	3.27	1	4	7	COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cncs2)c1
365632196	ZINC000172882616	high	2.22	-40.03	-1	280.715	1.655	1	4	5	C[C@@H](CNC(=O)c1c[n-]nn1)Oc1ccccc1Cl
190493282	ZINC000269423875	ref	4.8	-19.5	0	295.286	2.151	1	5	3	O=C(Nc1nnc(CC(F)(F)F)s1)[C@H]1CCCCO1
349534396	ZINC000602430116	mid	10.34	-44.47	1	230.355	3.448	1	1	7	CC[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N
365632201	ZINC000172882616	high	2.29	-40.15	-1	280.715	1.655	1	4	5	C[C@@H](CNC(=O)c1cnn[n-]1)Oc1ccccc1Cl
365632207	ZINC000172882616	high	2.38	-40.34	-1	280.715	1.655	1	4	5	C[C@@H](CNC(=O)c1cn[n-]n1)Oc1ccccc1Cl
365632214	ZINC000172884077	ref	4.34	-11.54	0	261.325	1.181	0	5	4	COC[C@H]1CN(Cc2cn3ccccc3n2)CCO1
197591418	ZINC000290088339	ref	6.68	-15.54	0	264.354	1.546	1	5	4	Cc1ccc(C[C@@H](C)NC(=O)c2ncn(C)n2)s1
349534400	ZINC000602429922	ref	4.14	-52.68	1	235.331	1.266	1	2	2	C[C@H]([NH3+])C1CCN(C(=O)C2(C#N)CCC2)CC1
349534403	ZINC000602428961	ref	7.33	-33.79	1	243.347	1.829	1	3	6	CCC[C@H](C[N@@H+]1CCCC[C@H]1C(=O)OC)OC
365632218	ZINC000172884077	low	4.5	-30.87	1	261.325	1.181	0	4	4	COC[C@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1
365632225	ZINC000643091759	ref	3.73	-40.93	1	295.408	1.377	1	3	3	O=S(=O)(c1ccccn1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1
365632231	ZINC000172887020	ref	3.64	-19.54	0	287.319	1.581	2	4	4	CNC(=O)c1cccc(C(=O)NCc2c(C)noc2C)c1
365632237	ZINC000172883457	ref	5.32	-11.62	0	288.326	1.949	2	4	6	O=C(CNc1ccc(-n2cccn2)c(F)c1)NCC1CC1
365632247	ZINC000172886573	ref	1.18	-9.91	0	295.364	1.645	0	7	5	COC[C@H]1CN(Cc2nc(-c3ccsc3)no2)CCO1
365632255	ZINC000172886646	ref	4.98	-13.27	0	293.363	1.615	0	5	7	COC[C@H]1CN(CCOc2ccccc2C(C)=O)CCO1
365632262	ZINC000172886646	low	6.9	-36.64	1	293.363	1.615	1	4	7	COC[C@H]1C[N@H+](CCOc2ccccc2C(C)=O)CCO1
282121995	ZINC000425613393	high	8.66	-5.11	0	314.429	2.321	0	3	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1[C@H]2CCCO[C@H]21
365632264	ZINC000172886646	low	7.3	-39.16	1	293.363	1.615	1	4	7	COC[C@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CCO1
365632200	ZINC000336549477	high	7.01	-7.72	0	289.423	2.355	0	4	3	C[C@H](CN1CCc2nn(C)c(=O)cc2C1)C1CCCCC1
290622336	ZINC000285136219	ref	4.75	-14.51	0	278.352	2.001	1	3	3	CNC(=O)[C@]1(C)CCN(C(=O)c2occc2C(C)C)C1
343993701	ZINC000599269592	high	4.3	-9.27	0	287.4	1.438	1	5	8	CCOC(=O)C[C@@H](O)CN1CCC(OCC(C)C)CC1
342088015	ZINC000033934720	ref	3.21	-8.13	0	263.746	1.607	0	3	5	COCCN(C)S(=O)(=O)c1ccc(Cl)cc1
343993704	ZINC000599270411	ref	7.82	-50.23	1	283.343	1.614	2	3	8	CCOC(=O)C[C@@H](O)C[N@H+](C)CCc1ccc(F)cc1
349534398	ZINC000621235807	ref	3.52	-17.24	0	277.368	2.154	2	2	5	CC(C)CN(C(=O)c1c[nH]c(C(N)=O)c1)C1CCCC1
230725172	ZINC000414278481	ref	8.39	-15.71	0	313.507	3.497	0	2	4	C[C@H](C(=O)N1CCCCCC1)[S@@](=O)CC1(C)CCCCC1
365632206	ZINC000336549835	ref	3.98	-9.29	0	294.317	2.226	1	2	1	CC1CCN(C(=O)N2CCC[C@H]2[C@H](O)C(F)(F)F)CC1
365632215	ZINC000336549539	ref	7.72	-47.33	1	299.374	2.107	2	2	1	C[C@H]1CC[N@H+](C)CCN1C(=O)c1cc2ccccc2c(=O)[nH]1
365632219	ZINC000336549539	mid	7.66	-45.49	1	299.374	2.107	2	2	1	C[C@H]1CC[N@@H+](C)CCN1C(=O)c1cc2ccccc2c(=O)[nH]1
349534402	ZINC000621241625	ref	6.5	-10.79	0	266.247	2.147	1	3	3	O=c1[nH]c2ccccc2c(=O)n1CC[C@@H]1CC1(F)F
342088016	ZINC000625368416	ref	4.94	-12.34	0	274.328	1.505	0	7	3	C[C@@H]1c2nncn2CCN1Cc1noc(C2CCC2)n1
365632224	ZINC000336549539	high	5.73	-9.98	0	299.374	2.107	1	3	1	C[C@H]1CCN(C)CCN1C(=O)c1cc2ccccc2c(=O)[nH]1
343993708	ZINC000599270411	mid	7.81	-50.31	1	283.343	1.614	2	3	8	CCOC(=O)C[C@@H](O)C[N@@H+](C)CCc1ccc(F)cc1
365632229	ZINC000336549424	ref	4.89	-11.97	0	275.308	2.051	2	4	2	C[C@H]1CC[C@@H]1NC(=O)Nc1cccc2c1oc(=O)n2C
342088017	ZINC000127152831	ref	4.26	-18.94	0	270.691	1.44	1	2	2	CN1CC[C@@H](NC(=O)c2ccc(F)c(Cl)c2)C1=O
190493289	ZINC000269423772	ref	5.39	-12.66	0	299.378	2.297	2	4	6	CN(C)c1ccc(NC(=O)NCCCc2ccccn2)cn1
349534406	ZINC000621230674	ref	4.39	-8.31	0	296.333	2.242	2	2	6	CC(=O)N[C@H](C(=O)NCC(C)(C)CC(F)(F)F)C(C)C
342088018	ZINC000121148528	ref	4.96	-45.87	1	265.357	1.558	2	3	5	CCc1noc(CC)c1CNC(=O)[C@@]1(C)CCC[NH2+]1
365632235	ZINC000336549992	ref	6.69	-9.74	0	268.401	2.138	0	2	2	CC(=O)N1CCN(C(=O)C[C@@H](C)C(C)(C)C)[C@@H](C)C1
349534409	ZINC000621230313	ref	5.09	-8.23	0	253.264	2.45	1	2	6	CC(=O)CCC(=O)NCC(C)(C)CC(F)(F)F
343993712	ZINC000599270411	high	5.48	-10.0	0	283.343	1.614	1	4	8	CCOC(=O)C[C@@H](O)CN(C)CCc1ccc(F)cc1
365632213	ZINC000274349162	ref	3.34	-9.04	0	293.363	1.697	1	4	5	CCOc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)cc1
398248212	ZINC000645409745	ref	-0.03	-47.38	1	240.303	0.284	3	3	6	CC(C)([NH3+])C(=O)NC[C@H](CO)Cc1ccco1
282121996	ZINC000427765222	ref	9.4	-8.96	0	330.453	2.758	1	2	4	C[NH+](C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1
365639083	ZINC000175983267	ref	4.13	-11.88	0	222.288	0.381	1	2	2	O=C1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CCN1
214183503	ZINC000278482869	ref	5.77	-9.98	0	319.796	1.867	1	5	3	Cn1nccc1N1CCC[C@@H](NC(=O)c2cccc(Cl)n2)C1
282121997	ZINC000427765222	mid	9.4	-8.96	0	330.453	2.758	0	3	4	CN(C)C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1
214183504	ZINC000278482860	ref	7.42	-50.22	1	312.417	2.476	3	2	4	Cc1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)c2n[nH]cc2c1
282121998	ZINC000172196472	ref	4.36	-113.31	2	256.35	-0.155	4	2	6	C[NH+](C)C[C@@H]1CC[N@H+](CCCC(=O)NC(N)=O)C1
214183505	ZINC000278484265	ref	4.46	-18.58	0	319.336	2.163	2	4	4	COc1ccc(NC(=O)NCc2ccc(C)n(C)c2=O)cc1F
214183506	ZINC000278483438	ref	7.33	-15.03	0	305.33	2.056	0	6	6	COc1cc(OC(=O)[C@@H](C)OC[C@@H]2CCCO2)ccc1C#N
214183508	ZINC000278483532	ref	6.84	-7.9	0	319.796	2.463	1	6	3	Cc1cccnc1OC1CCN(c2cc(Cl)nc(N)n2)CC1
214183513	ZINC000278482708	ref	6.86	-46.47	1	313.401	2.146	3	2	4	O=C(NC1CC1)c1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1
214183515	ZINC000278482708	high	4.71	-10.22	0	313.401	2.146	2	3	4	O=C(NC1CC1)c1ccc(NC(=O)C23CCCN2CCC3)cc1
214183518	ZINC000278484423	ref	9.38	-46.06	1	321.352	2.338	2	3	5	O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(F)ccc1[N+](=O)[O-]
342088019	ZINC000121145328	ref	4.05	-42.63	1	254.374	1.451	2	2	6	COCCC1(CNC(=O)[C@@]2(C)CCC[NH2+]2)CCC1
282121999	ZINC000172196472	mid	4.4	-113.03	2	256.35	-0.155	4	2	6	C[NH+](C)C[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1
282122000	ZINC000172196472	mid	1.92	-52.36	1	256.35	-0.155	3	3	6	CN(C)C[C@@H]1CC[N@H+](CCCC(=O)NC(N)=O)C1
282122001	ZINC000172196472	mid	1.98	-52.55	1	256.35	-0.155	3	3	6	CN(C)C[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1
342088020	ZINC000618611765	ref	5.15	-20.1	0	256.252	1.01	1	3	4	C[C@@]1(CNC(=O)Cn2ccccc2=O)CC1(F)F
342088021	ZINC000121123051	ref	6.24	-43.3	1	256.415	1.729	1	2	2	CC(C)[C@@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCS1
342088022	ZINC000609042707	ref	4.09	-12.24	0	269.326	1.388	2	5	4	COC(=O)Cc1csc(NC(=O)N[C@H]2C[C@@H]2C)n1
342088023	ZINC000121124494	ref	3.66	-14.85	0	257.293	1.072	2	3	4	O=C(Cc1cc[nH]n1)NC[C@@H]1Cc2ccccc2O1
365632221	ZINC000274350177	ref	4.28	-9.56	0	276.34	1.946	2	4	4	CCO[C@@H]1C[C@H](NC(=O)Nc2cncnc2)C12CCC2
136229096	ZINC000292803237	ref	6.29	-37.8	1	237.343	2.327	2	2	8	C=CC[N@@H+](CCc1ccco1)C[C@@H](O)C(C)C
365632232	ZINC000274350008	ref	-0.89	-9.44	0	260.24	1.218	2	4	5	Cc1nc(C2CC2)oc1C(=O)NCC(F)(F)CO
365632244	ZINC000274351724	ref	7.1	-8.52	0	278.356	1.07	0	6	5	CCOC(=O)[C@H]1CCCN1Cc1cnc(N(C)C)nc1
365632256	ZINC000274352445	ref	1.56	-11.73	0	264.329	1.539	3	4	3	C[C@]1(CNC(=O)Nc2cncnc2)CCCC[C@@H]1O
365632268	ZINC000274350404	ref	2.48	-9.92	0	298.184	1.936	1	3	3	NC(=O)C[C@H]1CCCN(c2ccncc2Br)C1
230725212	ZINC000414279547	ref	8.46	-16.48	0	301.496	3.354	0	2	8	CCCN(CCC)C(=O)C[S@](=O)CC1(C)CCCCC1
365632274	ZINC000274350404	mid	2.95	-43.79	1	298.184	1.936	1	2	3	NC(=O)C[C@H]1CCCN(c2cc[nH+]cc2Br)C1
365632280	ZINC000274351958	ref	3.35	-24.47	0	284.381	1.126	0	4	6	CCN(C)C(=O)C[S@@](=O)Cc1cc(OC)cc(C)n1
365632288	ZINC000274351301	ref	2.34	-32.4	1	278.324	1.167	3	3	6	C[NH+](C)Cc1ccsc1C(=O)NCC(F)(F)CO
365632297	ZINC000274351301	mid	0.28	-8.75	0	278.324	1.167	2	4	6	CN(C)Cc1ccsc1C(=O)NCC(F)(F)CO
365632306	ZINC000274350154	ref	5.84	-12.94	0	278.312	1.284	1	5	3	CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cncnc2)C1
230725230	ZINC000414280889	ref	7.25	-40.65	1	317.404	3.267	2	2	8	CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1
365632317	ZINC000274352707	ref	4.33	-35.85	1	290.363	1.422	2	3	7	CC[C@@H](CO)[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O
365632327	ZINC000274350748	ref	5.92	-12.13	0	287.323	1.975	2	7	6	CCn1cnc2c(N[C@@H](CCO)c3ccco3)ncnc21
365632340	ZINC000274351804	ref	3.22	-11.34	0	259.302	1.392	1	3	5	CCC(=O)CNS(=O)(=O)c1ccc(F)cc1C
365632350	ZINC000274351875	ref	2.74	-7.04	0	267.3	1.438	1	3	3	C[C@H](O)C[C@H]1COCCN1C(=O)c1ccc(F)cc1
398248214	ZINC000650870673	ref	3.98	-12.01	0	260.284	1.464	1	2	2	CC1(CNC(=O)N2CC[C@@]3(C2)CC3(F)F)COC1
365632359	ZINC000274352045	ref	2.2	-9.96	0	299.321	1.835	3	2	5	CC(C)[C@H](NC(=O)N[C@H](C)c1c(F)cccc1F)C(N)=O
365632370	ZINC000274349101	ref	4.81	-8.11	0	251.33	1.256	0	5	4	CCOC(=O)[C@H]1CCCN1Cc1cnn(C)c1C
365632378	ZINC000274349101	low	7.49	-36.12	1	251.33	1.256	1	4	4	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnn(C)c1C
365632383	ZINC000274349101	low	6.97	-40.53	1	251.33	1.256	1	4	4	CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnn(C)c1C
365632386	ZINC000274351131	ref	1.26	-9.98	0	252.318	1.395	3	4	4	CC(C)(C)C[C@H](O)CNC(=O)Nc1cncnc1
349534399	ZINC000594967300	high	7.39	-5.26	0	265.426	2.692	1	4	10	C=CCCSCCNCc1ccnn1CC1CC1
365632222	ZINC000625064497	ref	7.2	-12.61	0	311.385	2.005	1	4	3	Cc1cn2c(n1)C[C@H](C(=O)NCc1ccc3c(c1)CCO3)CC2
349534401	ZINC000594968443	ref	7.87	-44.81	1	251.333	2.978	1	2	4	CC(C)([NH2+]Cc1ccccn1)c1cccc(C#N)c1
365632228	ZINC000625064497	low	7.62	-35.73	1	311.385	2.005	1	3	3	Cc1cn2c([nH+]1)C[C@H](C(=O)NCc1ccc3c(c1)CCO3)CC2
365632234	ZINC000625065219	ref	5.35	-14.24	0	313.394	2.021	1	3	7	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC=CC1
365632241	ZINC000625065266	ref	5.12	-12.67	0	303.328	2.447	1	3	4	CN(CC(=O)NC(C)(C)C)Cc1cccnc1C(F)(F)F
398248215	ZINC000645409745	high	-0.34	-8.42	0	240.303	0.284	3	4	6	CC(C)(N)C(=O)NC[C@H](CO)Cc1ccco1
187168764	ZINC000125084163	high	4.42	-7.23	0	292.404	3.27	1	5	7	COc1cccc(O[C@@H](C)CN[C@H](C)c2cncs2)c1
365632248	ZINC000625065266	low	6.24	-43.18	1	303.328	2.447	2	2	4	C[N@H+](CC(=O)NC(C)(C)C)Cc1cccnc1C(F)(F)F
365632254	ZINC000625065266	low	6.23	-43.23	1	303.328	2.447	2	2	4	C[N@@H+](CC(=O)NC(C)(C)C)Cc1cccnc1C(F)(F)F
365632257	ZINC000625065989	ref	2.28	-21.28	0	315.32	2.133	1	4	5	CCCC(=O)N[C@@H]1CCCN(C(=O)c2ocnc2C(F)F)C1
365632269	ZINC000625063532	ref	2.46	-10.57	0	320.842	2.469	1	4	8	CCC(C)(C)CS(=O)(=O)NCCOc1ccc(Cl)cn1
168365965	ZINC000042461954	low	2.16	-106.95	2	186.299	0.833	2	1	2	C[C@@H]([NH3+])[C@@H](C)[N@H+]1CCOCC1(C)C
365632276	ZINC000625063834	ref	2.52	-11.74	0	320.842	2.469	1	4	8	CCC(C)(C)CS(=O)(=O)NCCOc1ncccc1Cl
365632284	ZINC000625064327	ref	6.59	-15.96	0	318.417	2.185	1	3	5	COc1c(C)cc(CN(C)C(=O)[C@@H](C)[C@H]2CCC(=O)N2)cc1C
282122002	ZINC000172196472	high	1.92	-51.31	1	256.35	-0.155	3	3	6	C[NH+](C)C[C@@H]1CCN(CCCC(=O)NC(N)=O)C1
342594812	ZINC000616962374	ref	3.09	-19.38	0	268.357	1.119	2	3	4	C[C@@H](OC1CCCCCC1)C(=O)N[C@H]1CCNC1=O
398248217	ZINC000645409799	ref	5.35	-9.07	0	244.379	2.489	1	2	6	CC[C@@H](CNC(=O)N(C)CCC(C)(C)C)OC
365632290	ZINC000625064333	ref	6.44	-16.79	0	318.417	2.185	1	3	5	COc1c(C)cc(CN(C)C(=O)[C@H](C)[C@@H]2CCC(=O)N2)cc1C
342594813	ZINC000590771525	ref	6.74	-9.75	0	292.291	1.894	1	5	4	C[C@@H](NC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2)C1CC1
365632301	ZINC000625064880	ref	1.78	-9.41	0	301.399	2.138	2	3	9	CC[C@@H](O)CCNS(=O)(=O)CC(C)(C)C(F)(F)CC
365632307	ZINC000625063154	ref	6.42	-11.31	0	320.437	2.196	0	6	4	CC(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N1CC2(CCCO2)C1
214183510	ZINC000053454960	ref	4.56	-15.83	0	346.387	1.206	0	7	5	COCCn1cc(C(=O)N2CCC(c3nc(C)no3)CC2)ccc1=O
214183516	ZINC000053448770	ref	7.83	-10.71	0	326.466	2.111	1	5	6	CCCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@@H]2C)n[nH]c1=O
214183522	ZINC000053458516	ref	6.38	-20.16	0	331.416	2.022	2	3	5	CC(=O)N[C@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1
178300155	ZINC000237139786	ref	3.39	-47.32	1	365.499	1.522	3	3	6	CCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1
214183525	ZINC000053461191	ref	7.63	-11.29	0	333.432	2.687	0	4	3	CN(Cc1cccnc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
214183530	ZINC000053456629	ref	9.34	-13.55	0	342.399	3.304	1	5	4	C[C@@H]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1
214183534	ZINC000053464678	ref	6.53	-9.6	0	342.351	2.508	1	6	5	COC(=O)c1cc(CNC(=O)C2=NO[C@H](c3ccccc3)C2)oc1C
214183539	ZINC000053455075	ref	6.72	-16.67	0	348.447	2.121	0	5	5	CCC[C@H](C)N1C[C@@H](C(=O)N2CCC(c3nc(C)no3)CC2)CC1=O
214183543	ZINC000053461138	ref	4.23	-17.85	0	342.342	3.357	2	3	4	C[C@H](NC(=O)c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1
282122003	ZINC000425600902	ref	11.42	-33.84	1	312.457	3.332	1	1	3	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1[C@H]2CCCC[C@H]21
361823709	ZINC000629302444	ref	6.29	-66.33	-1	289.397	1.832	0	4	4	CC(C)C1(S(=O)(=O)N2[C@H](C(=O)[O-])CCC2(C)C)CC1
214183547	ZINC000053445052	ref	4.7	-14.49	0	337.445	2.284	2	4	6	CC(C)(C)[C@H](NC(=O)CCCN1C(=O)CNC1=O)c1cccs1
214183551	ZINC000053457566	ref	7.63	-16.47	0	348.805	4.319	2	2	5	CC[C@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)c1cccc(Cl)c1
214183553	ZINC000053464680	ref	6.51	-9.65	0	342.351	2.508	1	6	5	COC(=O)c1cc(CNC(=O)C2=NO[C@@H](c3ccccc3)C2)oc1C
214183557	ZINC000053462589	ref	5.82	-15.78	0	346.427	1.811	2	4	6	CC(=O)N[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)C1CCCC1
214183561	ZINC000053448520	ref	3.19	-13.04	0	347.375	0.601	0	8	5	COCCn1nc(C(=O)N2CCC(c3nc(C)no3)CC2)ccc1=O
214183566	ZINC000053459343	ref	8.0	-13.88	0	338.407	3.133	1	3	5	COCc1cccc(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)c1
178305784	ZINC000019277388	low	3.4	-100.91	2	219.288	0.973	2	2	3	Cc1cc2[nH+]cn(C[C@H](O)C[NH3+])c2cc1C
361823713	ZINC000629301156	ref	6.2	-47.47	-1	279.402	1.795	0	4	8	CCN(C[C@@H](C)C(=O)[O-])S(=O)(=O)CC(C)(C)CC
361823718	ZINC000439692088	ref	8.54	-46.89	1	284.4	1.566	2	3	7	CCOC(=O)CC(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C
365632223	ZINC000641597731	ref	-0.35	-12.61	0	298.368	1.318	1	6	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1ccnn1C
365632230	ZINC000641597731	high	-0.72	-40.43	-1	298.368	1.318	0	6	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1ccnn1C
342594814	ZINC000590770570	ref	7.46	-12.88	0	268.324	1.996	1	5	2	c1cn([C@@H]2CCCN(c3ncnc4[nH]ccc34)C2)cn1
365632238	ZINC000641598333	ref	4.37	-9.82	0	263.316	1.669	0	3	2	O=C([C@H]1CCN(c2ccncc2F)C1)N1CCCC1
365632243	ZINC000641598333	low	4.84	-42.11	1	263.316	1.669	0	2	2	O=C([C@H]1CCN(c2cc[nH+]cc2F)C1)N1CCCC1
259309349	ZINC000394182186	ref	4.67	-8.27	0	247.338	2.08	2	2	6	CC(C)[C@@H](CO)CNC(=O)/C=C\c1ccccc1
187168765	ZINC000125083563	ref	2.92	-50.87	1	255.362	0.358	2	2	2	C[C@H](NC(=O)C(C)(C)C)C(=O)N1CC[NH2+]C[C@H]1C
365632250	ZINC000641597818	ref	-1.13	-12.37	0	275.374	1.439	2	4	6	Cc1nc(C(C)C)oc1CNS(=O)(=O)NC(C)C
342594815	ZINC000590770570	mid	8.41	-36.26	1	268.324	1.996	1	4	2	c1cn([C@@H]2CCCN(c3[nH+]cnc4[nH]ccc34)C2)cn1
365632259	ZINC000641598066	ref	1.6	-11.58	0	266.251	1.914	2	5	5	OCc1ccnc(NCc2nccc(C(F)F)n2)c1
365632265	ZINC000641598066	low	2.07	-33.69	1	266.251	1.914	2	4	5	OCc1cc[nH+]c(NCc2nccc(C(F)F)n2)c1
365632272	ZINC000641598530	ref	1.53	-12.3	0	297.38	1.923	1	5	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1cccn1C
365632279	ZINC000641598742	ref	1.24	-15.22	0	272.37	1.936	1	4	6	Cc1nc(C(C)C)oc1CNS(=O)(=O)CC1CC1
342594816	ZINC000590770570	low	9.03	-81.55	2	268.324	1.996	1	3	2	c1cc2c(N3CCC[C@@H](n4cc[nH+]c4)C3)[nH+]cnc2[nH]1
365632287	ZINC000641598776	ref	3.58	-17.84	0	296.392	1.142	1	3	4	CC(=O)N1CC[C@H](CNS(=O)(=O)c2ccccc2C)C1
365632295	ZINC000641598135	ref	5.13	-18.58	0	297.318	1.631	2	6	3	O=c1[nH]cnc2ccc(NCc3noc4c3CCCC4)nc12
365632303	ZINC000641597382	ref	5.86	-24.04	0	299.374	1.659	0	4	2	O=C1CCc2ccc(N3CC[C@H](C(=O)N4CCCC4)C3)nc21
365632309	ZINC000641598487	ref	4.0	-13.74	0	253.248	1.101	1	2	2	O=C(Cc1cccc(F)c1F)N1C[C@H]2C[C@@]2(O)C1
282122004	ZINC000425600902	high	10.79	-4.98	0	312.457	3.332	0	2	3	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)[C@@H]1[C@H]2CCCC[C@H]21
365632315	ZINC000641598356	ref	4.02	-12.3	0	288.355	1.486	0	5	3	CCN1C(=O)N=NC1C1CCN(c2ncncc2C)CC1
187168766	ZINC000125083563	mid	1.58	-7.34	0	255.362	0.358	2	3	2	C[C@H](NC(=O)C(C)(C)C)C(=O)N1CCNC[C@H]1C
365632321	ZINC000641598895	ref	5.37	-14.15	0	267.373	1.296	1	2	2	CC(=O)N1CC[C@H](CNC(=O)N2CCC(C)CC2)C1
136229097	ZINC000292803237	mid	6.35	-37.0	1	237.343	2.327	2	2	8	C=CC[N@H+](CCc1ccco1)C[C@@H](O)C(C)C
178300158	ZINC000237143789	ref	6.16	-37.37	1	365.499	1.685	1	3	5	C[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1
365632240	ZINC000336549338	ref	7.28	-16.38	0	291.416	2.158	0	2	1	C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC3)CC[S@@]1=O
365632245	ZINC000336549393	ref	6.67	-36.05	1	274.339	2.472	2	2	3	Cn1cccc1C[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1
365632249	ZINC000336549393	mid	7.09	-38.32	1	274.339	2.472	2	2	3	Cn1cccc1C[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1
365632252	ZINC000336549393	mid	5.23	-6.41	0	274.339	2.472	1	3	3	Cn1cccc1CN1C[C@@H](O)C[C@@H]1c1cccc(F)c1
178300160	ZINC000237152707	ref	3.74	-21.43	0	355.851	1.803	2	5	6	CCN1C(=S)N=NC1CCNC(=O)c1cc(Cl)c(N)cc1OC
168365967	ZINC000306651723	ref	0.33	-52.13	1	181.239	0.48	3	1	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc[nH]1
365632258	ZINC000336549717	ref	7.98	-7.58	0	263.316	2.115	1	4	2	Cn1c(N[C@H]2CCCOCC2)nc2cccc(F)c21
365632263	ZINC000336549717	mid	8.41	-28.69	1	263.316	2.115	1	3	2	Cn1c(N[C@H]2CCCOCC2)[nH+]c2cccc(F)c21
282122005	ZINC000332674269	ref	5.5	-47.48	1	266.393	0.812	1	5	4	C[NH+](C)C[C@@H]1CCN(Cc2nnnn2C(C)(C)C)C1
282122006	ZINC000496174571	ref	8.03	-100.72	2	329.485	1.488	3	3	6	CN(C[C@@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C
282122007	ZINC000496174571	mid	7.89	-100.29	2	329.485	1.488	3	3	6	CN(C[C@@](C)(O)C[N@H+]1CC[C@@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C
282122008	ZINC000496174571	mid	5.96	-36.77	1	329.485	1.488	2	4	6	CN(C[C@@](C)(O)CN1CC[C@@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C
290622337	ZINC000492520869	high	3.86	-53.77	-1	298.342	2.304	1	4	6	COC[C@@H](NC(=O)/C=C\c1cncc([O-])c1)c1ccccc1
178300165	ZINC000237146539	ref	2.96	-49.95	1	368.503	1.697	3	4	7	CCNc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC1CC[NH2+]CC1
214183519	ZINC000337616337	mid	3.47	-53.01	-1	286.278	2.067	1	4	4	O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1ncccc1[O-]
290622338	ZINC000492521755	ref	2.98	-12.58	0	282.29	2.495	2	3	3	O=C(/C=C/c1cncc(O)c1)N[C@@H]1CCCC(F)(F)C1
290622339	ZINC000492521755	high	3.75	-48.19	-1	282.29	2.495	1	3	3	O=C(/C=C/c1cncc([O-])c1)N[C@@H]1CCCC(F)(F)C1
365632267	ZINC000336549741	ref	8.13	-62.97	-1	294.326	2.393	1	3	3	CC1CCN(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)CC1
136229098	ZINC000292803237	high	4.24	-3.7	0	237.343	2.327	1	3	8	C=CCN(CCc1ccco1)C[C@@H](O)C(C)C
365632273	ZINC000336549638	ref	7.0	-9.02	0	261.365	2.41	1	2	3	CC(C)[C@H](O)C(=O)N1CCC[C@@H](c2ccccc2)C1
342594817	ZINC000590771266	ref	4.89	-11.27	0	299.374	1.822	1	4	4	N#Cc1ccc(N2CCC[C@H]2C(=O)NC[C@H]2CCCO2)cc1
398248216	ZINC000076848769	ref	2.05	-7.95	0	228.317	1.494	1	4	6	CCOCCC(=O)NCc1csc(C)n1
342594818	ZINC000590771123	ref	3.71	-13.59	0	273.373	1.633	2	4	9	COC(=O)CC(C)(C)CC(=O)N[C@@H](C)CCCCO
299072155	ZINC000358088144	mid	8.76	-88.51	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1C
342594819	ZINC000590770486	ref	12.93	-17.55	0	297.366	1.725	0	7	3	CCc1cc(N2CCC[C@H](n3ccnc3)C2)n2ncnc2n1
342594820	ZINC000590770486	low	13.64	-42.28	1	297.366	1.725	0	6	3	CCc1cc(N2CCC[C@H](n3cc[nH+]c3)C2)n2ncnc2n1
214183520	ZINC000337617200	ref	6.42	-11.67	0	299.305	3.047	2	3	4	Cc1nc[nH]c1CNC(=O)c1occc1-c1ccc(F)cc1
342594821	ZINC000590771225	ref	5.04	-14.62	0	293.363	1.683	2	4	8	COC(=O)Cc1cccc(C(=O)N[C@@H](C)CCCCO)c1
214183523	ZINC000337617200	low	6.88	-41.53	1	299.305	3.047	2	2	4	Cc1[nH+]c[nH]c1CNC(=O)c1occc1-c1ccc(F)cc1
342594822	ZINC000590771222	ref	5.03	-14.79	0	293.363	1.683	2	4	8	COC(=O)Cc1cccc(C(=O)N[C@H](C)CCCCO)c1
290622340	ZINC000511875864	ref	8.31	-8.97	0	258.365	2.943	1	1	1	C[C@H]1CC[C@@H]1NC(=O)N1CCCc2ccccc2C1
343994925	ZINC000114416409	ref	8.46	-7.67	0	200.285	2.88	0	2	2	Cc1cccc([C@@H](C)c2nccn2C)c1
214183526	ZINC000337616292	ref	3.71	-9.89	0	287.31	2.307	2	3	4	Cc1[nH]nc(C(=O)N[C@H]2CCCC[C@H]2OC(F)F)c1C
214183528	ZINC000337616292	mid	3.74	-8.74	0	287.31	2.307	2	3	4	Cc1n[nH]c(C(=O)N[C@H]2CCCC[C@H]2OC(F)F)c1C
214183532	ZINC000337616322	ref	1.88	-13.17	0	259.346	0.395	2	4	7	CN(CCOCCO)C(=O)[C@H](O)C1CCCCC1
214183533	ZINC000337617249	ref	6.83	-11.56	0	257.337	2.139	2	2	5	CCc1cccc(CC(=O)NCc2[nH]cnc2C)c1
214183535	ZINC000337617249	low	7.29	-42.22	1	257.337	2.139	2	1	5	CCc1cccc(CC(=O)NCc2[nH]c[nH+]c2C)c1
361823341	ZINC000614362829	ref	7.65	-15.0	0	322.372	1.642	2	6	4	C[C@H](C(=O)N[C@@H]1C[C@H]1c1ccccc1)n1cnc2c(N)ncnc21
214183537	ZINC000337616256	ref	6.99	-12.12	0	294.354	3.431	2	2	2	O=C(Nc1ccc2c(c1)CCO2)N[C@@H]1CCc2ccccc21
214183540	ZINC000337617481	ref	-0.99	-18.28	0	287.341	0.161	3	4	7	O=C(NCCS(=O)(=O)NC1CC1)NCc1ccco1
214183542	ZINC000337615961	ref	4.32	-14.82	0	281.36	0.743	2	5	5	CCn1cnnc1CNC(=O)N1CCC[C@H]1C[C@@H](C)O
361823351	ZINC000614363493	ref	7.16	-18.29	0	316.409	1.718	0	6	5	CCn1ccnc1[C@@H]1CCCCN1C(=O)CCc1cn(C)nn1
365632242	ZINC000576585280	ref	2.25	-10.67	0	249.274	-0.765	2	5	2	CNC(=O)C(=O)N1CC[C@H](Nc2ncccn2)C1
230725260	ZINC000414278224	ref	4.98	-17.76	0	317.838	3.082	1	3	5	COc1ccc(NC(=O)C[S@](=O)CC(C)(C)C)cc1Cl
230725263	ZINC000414280560	ref	8.75	-50.04	1	313.445	3.465	1	3	5	Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)c(C)c1
230725266	ZINC000414279059	ref	7.29	-16.2	0	313.507	3.402	1	2	6	CC1(C[S@@](=O)CC(=O)NCC2CCCCC2)CCCCC1
282122009	ZINC000496174571	high	5.46	-38.9	1	329.485	1.488	2	4	6	CN(C)C[C@@H]1CC[N@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1
342088024	ZINC000625368426	ref	5.24	-45.4	1	286.441	1.889	2	2	7	C=CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1
342088025	ZINC000625368426	mid	4.91	-45.45	1	286.441	1.889	2	2	7	C=CCCS(=O)(=O)NC[C@H]1CC[N@H+]1C1CCCCC1
214183529	ZINC000278484590	ref	8.24	-14.79	0	302.418	2.867	2	2	6	CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H](C)c1ccccc1C
282122010	ZINC000496174571	high	5.6	-38.5	1	329.485	1.488	2	4	6	CN(C)C[C@@H]1CC[N@@H+](C[C@](C)(O)CN(C)C(=O)OC(C)(C)C)C1
342088026	ZINC000625368426	high	2.05	-11.16	0	286.441	1.889	1	3	7	C=CCCS(=O)(=O)NC[C@H]1CCN1C1CCCCC1
282122011	ZINC000367462423	ref	9.67	-36.72	1	341.499	2.548	1	2	4	C[NH+](C)C[C@@H]1CCN([C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1
365632251	ZINC000576585245	ref	2.63	-93.41	2	243.376	0.297	3	3	5	O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CSCN1
365632261	ZINC000576585245	mid	2.63	-93.41	2	243.376	0.297	3	2	5	O=C(NCCC[C@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1
190493294	ZINC000269427520	ref	1.93	-21.25	0	282.344	-0.448	2	3	5	C=CC(=O)NCCC(=O)N1CCN(C(=O)NCC)CC1
342088027	ZINC000127128675	ref	5.81	-32.26	1	296.411	1.173	2	3	8	O=C(NCCOC[C@@H]1CCCO1)[C@@H](C1CC1)[NH+]1CCCC1
365632266	ZINC000576585421	ref	2.86	-11.37	0	225.292	1.059	1	4	7	CCn1ccc(C(=O)NCCCCOC)n1
342088028	ZINC000127128675	high	3.33	-8.53	0	296.411	1.173	1	4	8	O=C(NCCOC[C@@H]1CCCO1)[C@@H](C1CC1)N1CCCC1
342088029	ZINC000121131335	ref	3.93	-11.91	0	263.337	1.274	2	3	5	C[C@H]1CC[C@@H](C(=O)NC[C@H](O)Cc2ccccc2)O1
178305786	ZINC000069076956	ref	7.8	-47.97	1	229.327	2.39	1	2	3	Cc1cc2ncn(C[C@H]([NH3+])C3CC3)c2cc1C
365632275	ZINC000576586018	ref	6.36	-8.98	0	246.31	1.799	0	3	4	CCN(Cc1ccccn1)C(=O)[C@@H]1CCC(=O)C1
365632283	ZINC000576584263	ref	4.76	-13.96	0	242.344	1.387	1	4	5	CCc1csc(=O)n1CC(=O)N[C@@H](C)CC
365632291	ZINC000576584942	ref	4.4	-189.26	3	225.38	1.045	2	1	3	C[C@H]([NH3+])[C@H]1CCCN(C[C@@H]2CCC[NH2+]C2)C1
365632296	ZINC000576584942	mid	4.89	-185.23	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1
178300169	ZINC000237139969	ref	3.86	-50.45	1	373.478	1.315	3	3	6	CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1
178300170	ZINC000237139969	mid	2.46	-13.85	0	373.478	1.315	3	4	6	CCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1
178300173	ZINC000237141476	ref	6.34	-77.29	-1	350.396	1.955	0	7	5	CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2csc(-c3ccc(C)o3)n2)C1
342088030	ZINC000609039503	ref	4.55	-14.33	0	293.254	1.119	0	7	3	COC(=O)c1cn(Cc2cc(F)cc3c2OCOC3)nn1
365632253	ZINC000354699358	low	7.94	-39.03	1	292.423	1.746	1	2	2	C[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@H]1[NH+]1CCOCC1
365632260	ZINC000354697983	ref	3.71	-10.14	0	251.273	1.691	1	3	7	O=C(COC(F)F)NCCC[C@@H]1CCCCO1
230725268	ZINC000450374282	ref	4.44	-11.87	0	305.374	1.919	1	4	8	C=C[C@@H]1OCC[C@H]1C(=O)NCCOCc1ccc(OC)cc1
365632270	ZINC000354698423	ref	3.86	-9.86	0	273.373	1.359	1	4	8	CCOC[C@@H](NC(=O)COC1CCOCC1)C(C)C
230725275	ZINC000450375547	ref	6.92	-16.46	0	319.311	1.736	1	3	3	C[C@@H]1C[C@@]1(C#N)C(=O)N[C@H]1CC(=O)N(c2c(F)cccc2F)C1
282122012	ZINC000367462423	low	12.5	-104.28	2	341.499	2.548	2	1	4	C[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1
282122013	ZINC000367462423	low	12.44	-98.66	2	341.499	2.548	2	1	4	C[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCN([C@@H]3CCCc4ccccc43)C2=O)C1
365632281	ZINC000354699356	ref	7.96	-41.16	1	292.423	1.746	0	3	2	C[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@@H]1N1CCOCC1
365632285	ZINC000354699356	low	7.96	-41.16	1	292.423	1.746	1	2	2	C[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@@H]1[NH+]1CCOCC1
365632292	ZINC000354698571	ref	3.96	-12.33	0	297.355	1.389	1	4	5	Cc1cc(F)ccc1S(=O)(=O)NCCc1ccn(C)n1
365632302	ZINC000639790001	ref	2.4	-15.45	0	276.427	1.788	0	5	7	CC(C)S(=O)(=O)CCCN(C)Cc1ccns1
365632311	ZINC000354699214	ref	6.71	-39.27	1	254.399	1.481	2	2	3	C[C@@H]1C[C@H](NC(=O)[C@H]2CCSC2)C[N@@H+]1C1CC1
230725299	ZINC000450375658	ref	5.29	-11.15	0	301.346	1.35	1	6	4	COc1ccc(-c2ccnc(N3CCO[C@@H](CO)C3)n2)cc1
365632318	ZINC000354699214	mid	4.01	-8.47	0	254.399	1.481	2	2	3	C[C@@H]1C[C@H](NC(=O)[C@H]2CCSC2)C[N@H+]1C1CC1
365632323	ZINC000354699214	high	4.01	-8.47	0	254.399	1.481	1	3	3	C[C@@H]1C[C@H](NC(=O)[C@H]2CCSC2)CN1C1CC1
282122014	ZINC000425608824	ref	10.8	-55.15	1	286.419	3.086	1	1	5	C[NH+](C)C[C@@H]1CCc2ccccc2N1C(=O)CCC1CC1
365632328	ZINC000354699030	ref	4.41	-10.43	0	286.372	1.13	2	4	6	CCOC(=O)C[C@H](C)CNC(=O)N(C)[C@H]1CCC[C@H]1O
365632271	ZINC000172884758	ref	2.09	-7.66	0	273.764	1.229	0	5	4	COC[C@H]1CN(Cc2c(C)nn(C)c2Cl)CCO1
343993709	ZINC000079911555	ref	7.56	-7.89	0	286.375	2.128	1	2	5	CCC[C@H]1C[C@H]1C(=O)NCC(=O)N1CCc2ccccc21
365632277	ZINC000172881849	ref	2.32	-48.48	-1	299.396	1.363	0	4	4	C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1ncc[n-]1
342088031	ZINC000077987150	ref	4.3	-18.41	0	267.292	1.363	1	5	3	Cc1cccnc1CNC(=O)c1nccn2ccnc12
342088032	ZINC000121123553	ref	6.26	-44.36	1	256.415	1.729	1	2	2	CC(C)[C@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCS1
365632282	ZINC000172881849	mid	2.81	-22.08	0	299.396	1.363	1	4	4	C[C@@H](C(=O)N(C)C1CCCCC1)S(=O)(=O)c1ncc[nH]1
365632286	ZINC000172883258	ref	4.97	-7.82	0	297.326	1.46	0	5	5	COC[C@@H]1CN(Cc2ccc(F)cc2C(=O)OC)CCO1
197591439	ZINC000162783319	ref	6.44	-13.3	0	321.377	3.086	2	4	5	Cc1cc([N+](=O)[O-])ccc1NC(=O)NC[C@H]1CCO[C@H]1C(C)C
365632294	ZINC000172881190	ref	-0.54	-39.8	-1	268.298	1.205	0	6	4	C[C@H](c1nc(C2CC2)no1)S(=O)(=O)c1ncc[n-]1
398248218	ZINC000650869967	ref	5.78	-15.28	0	295.289	1.746	1	4	5	CC(F)(F)CCC(=O)NCc1cc(=O)n2ccccc2n1
398248221	ZINC000650869202	ref	4.02	-9.31	0	283.441	1.667	2	3	5	O=C(NCCN1CCSCC1)NC1(C2CCC2)CC1
197591447	ZINC000162782403	ref	9.35	-25.73	0	300.318	1.638	1	6	2	O=C(Nc1nnc2n1CCCC2)c1cccc2c1OCCO2
197591449	ZINC000162784859	ref	4.09	-4.04	0	305.603	3.213	2	3	2	O[C@@H]1CCCC[C@H]1Nc1ncc(Cl)cc1Br
187168768	ZINC000125081951	ref	8.61	-10.89	0	299.345	3.716	1	2	3	O=C(N[C@@H]1CCCc2occc21)[C@H]1C[C@@H]1c1ccc(F)cc1
187168769	ZINC000125083486	ref	7.13	-8.81	0	278.352	2.905	0	3	4	Cc1cnc(CCN(C)C(=O)c2ccc(F)cc2)s1
342088033	ZINC000121129082	ref	4.53	-44.08	1	256.39	1.696	2	2	7	CCO[C@H](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C
342088034	ZINC000127138108	ref	4.01	-12.67	0	285.347	1.946	3	2	4	CNC(=O)NCC(=O)N[C@@H](C)c1cccc2ccccc12
342088035	ZINC000618611764	ref	5.15	-17.47	0	256.252	1.01	1	3	4	C[C@]1(CNC(=O)Cn2ccccc2=O)CC1(F)F
342088036	ZINC000310083630	ref	2.26	-9.8	0	253.327	1.42	1	4	5	CCC[C@@H](C)NS(=O)(=O)c1cncc(C#N)c1
342088037	ZINC000617966012	ref	2.81	-11.51	0	281.352	1.66	2	4	8	CC[C@H](O)CC(=O)N[C@@H](COC)c1cccc(OC)c1
342088038	ZINC000625368389	ref	3.54	-45.04	1	298.408	1.965	2	3	5	O=S(=O)(NC[C@@H]1CC[N@@H+]1C1CCCCC1)c1ccoc1
342088039	ZINC000625368389	mid	4.09	-45.0	1	298.408	1.965	2	3	5	O=S(=O)(NC[C@@H]1CC[N@H+]1C1CCCCC1)c1ccoc1
178300172	ZINC000078400779	mid	3.92	-9.49	0	224.267	2.516	2	3	1	Cc1cc2nc(-c3cccnc3)[nH]c2cc1N
214183531	ZINC000278484342	ref	5.71	-17.78	0	309.32	1.614	1	5	7	CN(CC(=O)Nc1ccccc1)Cc1ncnn1CC(F)F
178300175	ZINC000078400779	low	4.36	-27.77	1	224.267	2.516	2	2	1	Cc1cc2[nH]c(-c3cccnc3)[nH+]c2cc1N
214183536	ZINC000278484537	ref	9.04	-20.34	0	310.401	3.054	1	3	5	C[C@H](CC(=O)N(C)Cc1nccn1C)c1c[nH]c2ccccc12
178300179	ZINC000359830183	ref	4.84	-10.27	0	238.294	2.878	2	3	3	Cc1cc2n[nH]cc2cc1NCc1ccncc1
214183538	ZINC000278484537	low	9.47	-34.07	1	310.401	3.054	1	2	5	C[C@H](CC(=O)N(C)Cc1[nH+]ccn1C)c1c[nH]c2ccccc12
398248219	ZINC000182895888	ref	2.67	-19.54	0	219.35	1.306	1	2	4	C[C@@H](C[S@](C)=O)NC(=O)CC(C)(C)C
178300183	ZINC000059092217	ref	6.49	-8.81	0	223.275	4.112	0	2	1	Cc1cc2nc(-c3ccccc3)oc2cc1C
178300186	ZINC000359809856	ref	3.59	-10.16	0	244.323	2.94	2	4	3	Cc1cc2n[nH]cc2cc1NCc1cscn1
178300190	ZINC000051848218	ref	8.94	-49.32	-1	246.31	2.861	0	4	3	Cc1cc2nc(C(C)C)n(CC(=O)[O-])c2cc1C
178300197	ZINC000051848218	low	9.5	-34.67	0	246.31	2.861	0	3	3	Cc1cc2[nH+]c(C(C)C)n(CC(=O)[O-])c2cc1C
214183541	ZINC000278483164	ref	4.47	-14.59	0	300.358	2.491	2	3	3	C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2
178300200	ZINC000336606987	ref	4.59	-9.05	0	245.326	2.71	2	3	3	Cc1cc2n[nH]cc2cc1NC[C@@H]1CCCOC1
178300204	ZINC000057346299	ref	7.01	-6.29	0	233.275	1.081	2	5	2	Cc1cc2n[nH]c(=O)n2c(NC2CCCC2)n1
178300209	ZINC000045955606	ref	6.03	-9.87	0	244.229	1.532	1	4	1	Cc1cc2n[nH]c(=O)n2c(-c2cccc(F)c2)n1
214183544	ZINC000278483610	ref	6.33	-43.12	1	306.258	3.37	2	2	5	O[C@H](C[NH2+]C[C@H]1CCSC1)c1c(Cl)cccc1Cl
214183546	ZINC000278483145	ref	6.04	-15.88	0	323.784	1.618	2	5	7	COC[C@@H](NC(=O)NCCn1cncn1)c1ccc(Cl)cc1
178300211	ZINC000033559184	ref	8.66	-10.51	0	247.301	3.718	1	2	1	Cc1cc2nc(-c3ccc(C#N)cc3)[nH]c2cc1C
168364664	ZINC000368498474	high	9.38	-14.04	0	340.471	3.466	1	5	6	COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1
178300215	ZINC000226774611	ref	6.71	-34.66	1	239.298	2.936	0	2	1	Cc1cc2nc(-c3ccc[n+](C)c3)oc2cc1C
214183549	ZINC000278482752	ref	0.38	-21.06	0	309.366	1.291	3	4	7	COc1ccc(C(=O)N(C)C)cc1NC(=O)NCCCCO
398248226	ZINC000182893741	ref	8.1	-12.19	0	213.346	3.029	0	3	6	CC(C)(C)C(=O)CSCCCCC#N
187168770	ZINC000125091065	ref	5.67	-17.01	0	291.376	1.783	1	4	2	Cc1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cn1
185087487	ZINC000096071398	ref	8.63	-38.45	1	292.81	3.04	1	1	1	C[N@@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
136229099	ZINC000097443496	ref	3.77	-10.25	0	231.295	1.173	2	2	4	C[C@H](CCO)CNC(=O)C#Cc1ccccc1
136229100	ZINC000292817309	ref	4.68	-10.92	0	224.304	1.076	1	2	3	C#CCN(C)C(=O)NC[C@H]1CCO[C@@H](C)C1
197591438	ZINC000290089548	ref	5.94	-12.65	0	276.336	2.913	2	3	4	CC[C@@H](C)[C@H](C)NC(=O)Nc1cccc2c1COC2=O
349534404	ZINC000594968443	mid	6.79	-6.55	0	251.333	2.978	1	3	4	CC(C)(NCc1ccccn1)c1cccc(C#N)c1
342088040	ZINC000625368389	mid	1.11	-9.09	0	298.408	1.965	1	4	5	O=S(=O)(NC[C@@H]1CCN1C1CCCCC1)c1ccoc1
365632278	ZINC000336549337	ref	6.39	-15.84	0	291.416	2.158	0	2	1	C[C@@H]1CCN(C(=O)c2ccc3c(c2)CCC3)CC[S@]1=O
230725295	ZINC000425425892	ref	1.72	-9.7	0	310.295	2.169	0	5	6	CC[C@@H]1CN(Cc2nc(C(F)F)no2)CCN1CC(F)F
365632289	ZINC000336549832	ref	7.06	-39.51	1	280.412	2.032	1	2	3	C[N@@H+]1CCCC12CCN(C(=O)CC[C@H]1CCCO1)CC2
282122015	ZINC000425608824	high	9.06	-7.86	0	286.419	3.086	0	2	5	CN(C)C[C@@H]1CCc2ccccc2N1C(=O)CCC1CC1
282122016	ZINC000113515417	ref	8.77	-102.17	2	267.417	1.272	2	1	5	C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1
365632293	ZINC000336549832	mid	7.07	-39.26	1	280.412	2.032	1	2	3	C[N@H+]1CCCC12CCN(C(=O)CC[C@H]1CCCO1)CC2
342088041	ZINC000121137501	ref	1.99	-8.18	0	278.352	1.745	3	3	4	Cc1ccc2c(c1)[C@H](NC(=O)N[C@H](CO)C(C)C)CO2
282122017	ZINC000113515417	mid	8.79	-103.94	2	267.417	1.272	2	1	5	C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1
282122018	ZINC000113515417	mid	6.31	-40.62	1	267.417	1.272	1	2	5	C[NH+](C)C[C@@H]1CCN(CCC(=O)N2CCCCC2)C1
282122019	ZINC000113515417	mid	6.31	-41.33	1	267.417	1.272	1	2	5	CN(C)C[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1
282122020	ZINC000113515417	mid	6.38	-40.79	1	267.417	1.272	1	2	5	CN(C)C[C@@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C1
185087489	ZINC000096071398	mid	8.88	-38.89	1	292.81	3.04	1	1	1	C[N@H+]1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
365632299	ZINC000336549919	ref	5.47	-8.73	0	292.285	2.288	1	3	3	CN(CC1CC1)C(=O)c1cnc2c(F)cc(F)cc2c1O
365639379	ZINC000565372202	ref	4.86	-11.19	0	260.276	1.877	1	6	4	CC(C)n1cc(CNc2ncc(C#N)cc2F)nn1
282122021	ZINC000450410507	ref	9.87	-99.01	2	260.372	2.695	2	0	4	C[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1
342088042	ZINC000121123224	ref	5.64	-36.27	1	256.415	1.729	1	2	2	CC(C)[C@H]1CN(C(=O)[C@]2(C)CCC[NH2+]2)CCS1
214183545	ZINC000337618933	ref	3.53	-14.76	0	298.215	2.365	2	3	4	O=C(Nc1cnn(CC(F)(F)F)c1)NC1(C(F)F)CC1
349534405	ZINC000602428961	mid	6.94	-29.89	1	243.347	1.829	1	3	6	CCC[C@H](C[N@H+]1CCCC[C@H]1C(=O)OC)OC
214183548	ZINC000337618657	ref	6.14	-41.71	1	295.383	2.038	2	3	6	COc1cc(NC(=O)N(C)CC[NH+](C)C)c(C)c(OC)c1
349534408	ZINC000602428961	mid	4.98	-7.19	0	243.347	1.829	0	4	6	CCC[C@H](CN1CCCC[C@H]1C(=O)OC)OC
342088043	ZINC000609043929	ref	4.91	-24.62	0	287.348	1.167	1	6	2	Cc1ccn2ncc(C(=O)N[C@@]3(C#N)CCSC3)c2n1
214183550	ZINC000337618657	high	3.66	-13.11	0	295.383	2.038	1	4	6	COc1cc(NC(=O)N(C)CCN(C)C)c(C)c(OC)c1
214183554	ZINC000337617919	ref	2.32	-9.21	0	259.346	0.801	1	4	8	C[C@@H]1CC[C@H](CCC(=O)N(C)CCOCCO)O1
214183556	ZINC000337619072	ref	0.18	-9.66	0	251.348	-0.432	2	5	9	CSCC[C@@H](O)C(=O)N(C)CCOCCO
168364665	ZINC000063024761	ref	4.38	-51.46	1	198.197	1.624	1	2	3	C[C@@H]([NH3+])Cc1ccc(F)cc1[N+](=O)[O-]
214183559	ZINC000337619019	ref	2.11	-41.32	-1	279.321	0.899	1	5	3	CSc1[n-]c(=O)c(C(=O)N[C@@H]2CCOC2)cc1C#N
214183560	ZINC000337619019	low	3.03	-18.99	0	279.321	0.899	2	5	3	CSc1[nH]c(=O)c(C(=O)N[C@@H]2CCOC2)cc1C#N
190493299	ZINC000269429230	ref	6.98	-9.2	0	286.375	2.145	1	2	1	C[C@@H]1COCCN1C(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21
214183562	ZINC000337617043	ref	4.25	-14.55	0	281.356	0.808	1	5	7	C[C@H](CO)N(CC1CCC1)C(=O)COc1cnn(C)c1
214183565	ZINC000337618277	ref	-0.15	-20.73	0	273.333	-0.613	2	4	7	CCN(CCOCCO)C(=O)[C@H]1CCCN1C(N)=O
342088044	ZINC000121123884	ref	2.62	-43.04	1	280.372	1.686	2	4	3	C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1nc(C(C)(C)C)no1
214183567	ZINC000337619516	ref	1.52	-20.78	0	292.401	0.246	2	4	7	CCO[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CNS(C)(=O)=O
214183570	ZINC000337619074	ref	0.12	-10.0	0	251.348	-0.432	2	5	9	CSCC[C@H](O)C(=O)N(C)CCOCCO
365632298	ZINC000172881190	mid	-0.06	-16.93	0	268.298	1.205	1	6	4	C[C@H](c1nc(C2CC2)no1)S(=O)(=O)c1ncc[nH]1
214183573	ZINC000337619157	ref	7.36	-42.07	1	287.407	2.328	3	1	5	O=C(NCC[NH+]1CCC1)N[C@H]1CCC[C@@H]1c1ccccc1
214183575	ZINC000337619157	mid	4.17	-10.51	0	287.407	2.328	2	2	5	O=C(NCCN1CCC1)N[C@H]1CCC[C@@H]1c1ccccc1
214183580	ZINC000337615910	ref	-0.41	-18.31	0	278.312	0.122	2	5	6	COCC1(CNC(=O)c2nccnc2C(N)=O)CCC1
214183583	ZINC000337619519	ref	1.56	-17.4	0	292.401	0.246	2	4	7	CCO[C@H](C)C(=O)N[C@H]1CCC[C@H]1CNS(C)(=O)=O
398248220	ZINC000395035943	ref	7.69	-39.14	1	219.328	3.141	1	1	7	C/C=C/C[NH2+]Cc1cccc(OCCC)c1
398248223	ZINC000395035943	high	6.32	-3.32	0	219.328	3.141	1	2	7	C/C=C/CNCc1cccc(OCCC)c1
230725297	ZINC000414278959	ref	7.91	-40.14	1	322.424	3.338	2	2	9	C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC(C)(C)OCC1CC1
365632300	ZINC000576584942	mid	4.89	-185.23	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1
365632308	ZINC000576585862	ref	4.4	-6.72	0	217.284	1.666	1	2	5	CO[C@@H](C)[C@H](C)NC(=O)C1(CF)CCC1
282122022	ZINC000450410507	mid	10.05	-93.27	2	260.372	2.695	2	0	4	C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1
282122023	ZINC000450410507	mid	7.42	-36.43	1	260.372	2.695	1	1	4	CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1
365632313	ZINC000576586924	ref	6.32	-49.04	-1	233.333	1.307	0	4	6	CC[C@@H](SC)C(=O)N(C)C[C@H](C)C(=O)[O-]
365632322	ZINC000576585005	ref	1.4	-49.34	1	243.307	-1.041	2	4	6	C[NH2+]CCCN1CCNC(=O)[C@@H]1CC(=O)OC
365632332	ZINC000576586509	ref	1.02	-43.24	-1	247.298	1.679	2	2	1	CC1=C(C)C[C@H](C(=O)N=c2ccc(=O)[nH][nH]2)CC1
342088045	ZINC000121123383	ref	5.68	-37.04	1	256.415	1.729	1	2	2	CC(C)[C@@H]1CN(C(=O)[C@@]2(C)CCC[NH2+]2)CCS1
365632337	ZINC000576586509	mid	1.75	-118.48	-2	247.298	1.679	1	3	1	CC1=C(C)C[C@H](C(=O)N=c2ccc(O)n[n-]2)CC1
230725323	ZINC000414281770	ref	7.81	-16.86	0	321.486	3.205	1	2	7	C[C@H](C(=O)NC1CCCCC1)[S@@](=O)CCCc1ccccc1
365632342	ZINC000576586509	high	1.75	-118.48	-2	247.298	1.679	0	3	1	CC1=C(C)C[C@H](C(=O)N=c2ccc([O-])n[n-]2)CC1
342088046	ZINC000622702343	ref	3.14	-13.45	0	252.358	1.455	2	2	3	CC1(C)CCC(C(=O)NC[C@@H]2CNC(=O)C2)CC1
365632348	ZINC000576584634	ref	4.19	-177.18	3	233.359	1.375	3	1	5	C[C@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]1
342088047	ZINC000127124739	ref	3.8	-18.46	0	297.318	1.88	0	7	4	c1ccc(-c2cn(Cc3nc([C@@H]4CCOC4)no3)nn2)cc1
342088048	ZINC000127156669	ref	4.43	-48.54	1	299.168	1.549	2	2	3	COc1ccc(Br)cc1C(=O)N[C@H]1CC[NH2+]C1
342088049	ZINC000121128908	ref	4.47	-43.47	1	256.39	1.696	2	2	7	CCO[C@@H](CCNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C
342088050	ZINC000121133635	ref	5.74	-44.48	1	256.415	1.919	2	2	4	CCS[C@@H]1CCC[C@H]1NC(=O)[C@]1(C)CCC[NH2+]1
342088051	ZINC000046801888	ref	3.32	-8.28	0	274.411	1.611	1	3	5	O=S(=O)(NCCc1ccsc1)N1CCCCC1
342088052	ZINC000127138605	ref	6.36	-50.89	1	265.744	1.893	2	2	5	CC[N@H+](C)CCNC(=O)c1ccc(C#N)c(Cl)c1
282122024	ZINC000450410507	mid	7.64	-32.06	1	260.372	2.695	1	1	4	CN(C)C[C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1
282122025	ZINC000450410507	high	8.49	-34.54	1	260.372	2.695	1	1	4	C[NH+](C)C[C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1
365632353	ZINC000576584634	low	4.19	-177.18	3	233.359	1.375	3	0	5	C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]1
365632360	ZINC000576584771	ref	6.38	-38.95	1	234.387	2.581	2	0	7	C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1
365632304	ZINC000336549919	high	6.74	-37.2	-1	292.285	2.288	0	2	3	CN(CC1CC1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O
342088053	ZINC000127138605	mid	4.04	-11.81	0	265.744	1.893	2	2	5	CC[N@@H+](C)CCNC(=O)c1ccc(C#N)c(Cl)c1
282122026	ZINC000247074984	ref	5.53	-47.31	1	305.426	0.799	1	4	4	Cn1cc(N2CCC[C@H](N3CC[C@@H](C[NH+](C)C)C3)C2=O)cn1
342088054	ZINC000127138605	high	4.04	-11.81	0	265.744	1.893	1	3	5	CCN(C)CCNC(=O)c1ccc(C#N)c(Cl)c1
342088055	ZINC000622702312	ref	2.16	-12.21	0	261.325	1.071	2	3	4	CC(C)c1ccc(C(=O)NC[C@@H]2CNC(=O)C2)nc1
342088056	ZINC000625368388	ref	4.08	-45.13	1	298.408	1.965	2	3	5	O=S(=O)(NC[C@H]1CC[N@@H+]1C1CCCCC1)c1ccoc1
214183558	ZINC000278483434	ref	7.26	-14.44	0	305.33	2.056	0	6	6	COc1cc(OC(=O)[C@@H](C)OC[C@H]2CCCO2)ccc1C#N
214183563	ZINC000278483053	ref	7.95	-40.66	1	302.418	2.747	2	2	5	COc1ccc([C@H](C)NC(=O)C2CC[NH+](C3CC3)CC2)cc1
214183564	ZINC000278483053	high	5.99	-8.38	0	302.418	2.747	1	3	5	COc1ccc([C@H](C)NC(=O)C2CCN(C3CC3)CC2)cc1
214183568	ZINC000278483475	ref	7.9	-23.35	0	302.378	1.24	0	5	2	C[C@H]1C[C@@H](C)CN(C(=O)Cn2ccc(=O)c3cnn(C)c32)C1
214183571	ZINC000278483073	ref	10.63	-47.69	1	324.877	3.13	1	2	4	C[N@H+](C[C@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O
214183572	ZINC000278483073	mid	10.86	-46.18	1	324.877	3.13	1	2	4	C[N@@H+](C[C@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O
214183576	ZINC000278483073	high	8.65	-10.44	0	324.877	3.13	0	3	4	CN(C[C@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O
214183578	ZINC000278483335	ref	5.8	-16.92	0	317.393	1.161	1	4	5	CC(=O)N(C[C@@H]1CCCN1C(=O)NCc1cccnn1)C1CC1
214183582	ZINC000278483202	ref	2.53	-12.9	0	304.272	1.074	2	4	3	O=C(NCc1cccnn1)N1CCC[C@H]1[C@@H](O)C(F)(F)F
214183585	ZINC000278484017	ref	5.54	-14.1	0	322.405	2.581	1	4	6	COCCO[C@@H]1CCN(C(=O)Nc2cc(C)c(OC)cc2C)C1
214190397	ZINC000337634359	high	-0.11	-8.75	0	286.445	0.429	2	4	6	CN(C)[C@@]1(CNC(=O)NCCN2CCC2)CCSC1
342088057	ZINC000625368388	mid	3.77	-44.61	1	298.408	1.965	2	3	5	O=S(=O)(NC[C@H]1CC[N@H+]1C1CCCCC1)c1ccoc1
342088058	ZINC000625368388	mid	0.88	-10.62	0	298.408	1.965	1	4	5	O=S(=O)(NC[C@H]1CCN1C1CCCCC1)c1ccoc1
342088059	ZINC000121145477	ref	4.04	-41.74	1	254.374	1.451	2	2	6	COCCC1(CNC(=O)[C@]2(C)CCC[NH2+]2)CCC1
342088060	ZINC000121124059	ref	2.63	-42.71	1	280.372	1.686	2	4	3	C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1nc(C(C)(C)C)no1
342088061	ZINC000310091078	ref	3.04	-6.9	0	258.343	1.893	2	6	6	CCOC(=O)c1cnc(NC[C@@](C)(O)CC)s1
342594823	ZINC000590770493	ref	9.69	-13.69	0	283.339	1.401	0	7	2	Cn1cnc2c(N3CCC[C@H](n4ccnc4)C3)ncnc21
282122027	ZINC000247074984	low	8.03	-104.21	2	305.426	0.799	2	3	4	Cn1cc(N2CCC[C@H]([N@@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)cn1
187168771	ZINC000125081100	ref	5.97	-39.22	1	292.379	2.374	2	3	6	CC[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2OC)C1
187168772	ZINC000125081100	mid	6.05	-39.56	1	292.379	2.374	2	3	6	CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)C1
230725322	ZINC000450375673	ref	10.13	-11.45	0	302.378	1.729	1	6	6	CCOC(=O)[C@@H](C)CNc1nc(N(C)C)c2ccccc2n1
230725325	ZINC000450375673	low	10.47	-25.25	1	302.378	1.729	1	5	6	CCOC(=O)[C@@H](C)CNc1nc(N(C)C)c2ccccc2[nH+]1
342594824	ZINC000590770493	low	10.39	-38.31	1	283.339	1.401	0	6	2	Cn1cnc2c(N3CCC[C@H](n4cc[nH+]c4)C3)ncnc21
342594825	ZINC000590771085	ref	7.39	-13.52	0	253.342	1.977	0	3	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@@H]1C1CC1
361823344	ZINC000612425551	ref	3.31	-6.92	0	317.376	2.106	2	3	5	O=C(C[C@]12CCCC[C@H]1C2(F)F)NC[C@@H](O)C1CCOCC1
230725331	ZINC000450377925	ref	3.67	-17.06	0	316.467	1.599	1	3	4	CCNS(=O)(=O)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C)[C@H](C)C2)C1
342594826	ZINC000590771198	ref	1.14	-13.36	0	262.309	1.545	3	4	6	C[C@@H](CCCCO)NC(=O)c1cc(O)cc(C#N)c1
361823352	ZINC000612423821	ref	3.78	-7.35	0	305.418	2.33	2	3	7	CCC(CC)[C@H](O)CNC(=O)[C@@H]1COC[C@@H]1c1ccccc1
323004457	ZINC000561583735	ref	2.43	-10.41	0	245.298	0.653	2	2	3	C[C@@H](NC(=O)N[C@H]1CC[C@H](F)C1)C(=O)N(C)C
361823356	ZINC000612424696	ref	3.79	-10.57	0	309.406	2.376	2	4	8	CC[C@H](C)[C@H](O)CNC(=O)C(C)(C)Oc1ccc(OC)cc1
361823362	ZINC000612423412	ref	4.81	-14.58	0	303.274	2.184	0	6	4	CCOc1nc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)co1
361823366	ZINC000612423876	ref	7.18	-41.56	1	318.461	2.218	3	2	8	CCC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1
361823369	ZINC000612423876	mid	7.38	-34.49	1	318.461	2.218	3	2	8	CCC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1
361823375	ZINC000612424493	ref	2.95	-14.44	0	301.289	2.145	2	4	5	CC[C@@H](C)[C@H](O)CNC(=O)c1cccc2c1OC(F)(F)O2
361823383	ZINC000612424496	ref	2.75	-14.46	0	301.289	2.145	2	4	5	CC[C@H](C)[C@H](O)CNC(=O)c1cccc2c1OC(F)(F)O2
361823388	ZINC000612423410	ref	4.24	-12.01	0	322.317	2.034	0	7	6	CCOc1nc(C(=O)N(C)Cc2cc(C(=O)OC)c(C)o2)co1
361823395	ZINC000612423342	ref	5.95	-41.27	1	304.434	2.143	3	2	8	CCC[C@@H](O)CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1
342088062	ZINC000121161652	ref	5.34	-40.03	1	299.378	1.587	2	4	4	C[C@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cn(-c2ccccc2)nn1
178300193	ZINC000082795340	ref	3.81	-11.46	0	285.189	2.455	1	4	3	Cc1nn([C@H](C)C[C@](C)(N)C#N)c(C)c1Br
178300194	ZINC000082795340	mid	4.07	-58.08	1	285.189	2.455	1	3	3	Cc1nn([C@H](C)C[C@](C)([NH3+])C#N)c(C)c1Br
214183569	ZINC000053457269	ref	7.85	-13.11	0	344.484	3.249	1	5	4	CC(=O)N1CCCN(Cc2csc(Nc3ccc(C)cc3)n2)CC1
214183574	ZINC000053457269	low	9.4	-39.45	1	344.484	3.249	2	4	4	CC(=O)N1CCC[N@H+](Cc2csc(Nc3ccc(C)cc3)n2)CC1
214183577	ZINC000053457269	low	9.73	-42.88	1	344.484	3.249	2	4	4	CC(=O)N1CCC[N@@H+](Cc2csc(Nc3ccc(C)cc3)n2)CC1
214183579	ZINC000053464756	ref	5.71	-14.64	0	347.367	2.33	1	6	8	COCCOc1cccc(C(=O)NCc2cc(C(=O)OC)c(C)o2)c1
342088063	ZINC000121195333	ref	5.92	-49.68	1	272.352	1.135	2	3	4	C[C@@]1(C(=O)NCCc2cn3ccccc3n2)CCC[NH2+]1
214183581	ZINC000053460020	ref	5.95	-17.86	0	328.437	3.303	2	3	4	NC(=O)c1csc(C(=O)NC2CCC(c3ccccc3)CC2)c1
214183586	ZINC000053454846	ref	3.43	-16.23	0	336.392	0.579	0	6	5	COCCN1C[C@@H](C(=O)N2CCC(c3nc(C)no3)CC2)CC1=O
342088064	ZINC000121195333	low	6.35	-87.57	2	272.352	1.135	2	2	4	C[C@@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC[NH2+]1
361823358	ZINC000614363493	low	7.58	-30.61	1	316.409	1.718	0	5	5	CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)CCc1cn(C)nn1
214183589	ZINC000053448469	ref	7.24	-11.46	0	331.441	3.338	0	5	2	Cc1noc(C2CCN(C(=O)c3csc4c3CCCC4)CC2)n1
214183591	ZINC000053464766	ref	4.34	-16.45	0	348.355	1.725	1	7	8	COCCOc1ncccc1C(=O)NCc1cc(C(=O)OC)c(C)o1
342088065	ZINC000121239590	ref	3.47	-47.12	1	262.357	1.142	3	3	6	C[C@]1(C(=O)NCCCNc2ccccn2)CCC[NH2+]1
361823363	ZINC000614362625	ref	5.31	-17.99	0	302.374	1.435	1	3	4	C=C[C@](C)(O)C(=O)N1CC[C@@H](C(=O)N(C)c2ccccc2)C1
361823368	ZINC000614362555	ref	8.57	-50.73	1	313.405	1.302	3	3	7	O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCc1nnc[nH]1
361823371	ZINC000614362555	mid	8.57	-50.78	1	313.405	1.302	3	3	7	O=C(CC[N@H+]1CCc2ccccc2C1)NCCCc1nnc[nH]1
361823377	ZINC000614362555	mid	8.17	-47.91	1	313.405	1.302	3	3	7	O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCc1nc[nH]n1
361823382	ZINC000614362555	mid	8.17	-47.93	1	313.405	1.302	3	3	7	O=C(CC[N@H+]1CCc2ccccc2C1)NCCCc1nc[nH]n1
197591454	ZINC000290088276	ref	6.63	-8.21	0	271.36	1.918	0	3	9	C#CCN(CC#C)Cc1ccc(COCCOC)cc1
365632305	ZINC000172887038	ref	6.18	-24.86	0	286.331	1.826	1	3	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc[n+]([O-])c1
349534407	ZINC000594966628	ref	5.72	-58.33	1	279.396	2.844	1	1	3	C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1
282122028	ZINC000247074984	low	8.1	-99.59	2	305.426	0.799	2	3	4	Cn1cc(N2CCC[C@H]([N@H+]3CC[C@@H](C[NH+](C)C)C3)C2=O)cn1
349534410	ZINC000594968131	ref	8.85	-43.48	1	255.402	2.99	1	2	7	CC[C@H](C)CC[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C
282123628	ZINC000151697082	mid	4.53	-5.42	0	309.498	2.345	1	3	5	C[C@@H](CNC(=O)C[C@@H]1CCCC(C)(C)C1)N1CCN(C)CC1
197591455	ZINC000290088276	mid	8.43	-41.86	1	271.36	1.918	1	2	9	C#CC[NH+](CC#C)Cc1ccc(COCCOC)cc1
342594827	ZINC000590771198	mid	1.9	-37.48	-1	262.309	1.545	2	4	6	C[C@@H](CCCCO)NC(=O)c1cc([O-])cc(C#N)c1
398248222	ZINC000285854570	ref	-1.87	-6.32	0	214.29	0.335	1	5	3	CN(Cc1nccs1)[C@@H]1COC[C@H]1O
282123630	ZINC000151697082	low	6.66	-39.3	1	309.498	2.345	2	2	5	C[C@@H](CNC(=O)C[C@@H]1CCCC(C)(C)C1)[NH+]1CCN(C)CC1
365632314	ZINC000172884593	ref	3.31	-14.68	0	295.77	1.638	3	3	6	CNC(=O)c1ccc(Cl)cc1NCC(=O)NCC1CC1
365632324	ZINC000172886858	ref	2.0	-11.66	0	288.351	1.059	1	6	4	COC[C@H]1CN(Cc2nc(N)c3ccccc3n2)CCO1
342594828	ZINC000590771264	ref	4.63	-10.4	0	281.283	1.521	1	4	4	COC(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1F
365632331	ZINC000172886093	ref	5.32	-10.58	0	273.336	1.926	1	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1cnn(C)c1
365632338	ZINC000172887063	ref	4.25	-9.04	0	279.336	1.32	0	5	5	COC[C@H]1CN(Cc2ccc(C(=O)OC)cc2)CCO1
365632344	ZINC000172887063	low	6.0	-48.16	1	279.336	1.32	1	4	5	COC[C@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2)CCO1
365632349	ZINC000172887063	low	6.52	-49.79	1	279.336	1.32	1	4	5	COC[C@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CCO1
365632356	ZINC000172887884	ref	7.13	-40.95	1	293.407	1.983	1	3	9	COC[C@H]1C[N@H+](CCCOCCc2ccccc2)CCO1
365632361	ZINC000172887884	mid	7.54	-40.63	1	293.407	1.983	1	3	9	COC[C@H]1C[N@@H+](CCCOCCc2ccccc2)CCO1
342594829	ZINC000590771094	ref	3.24	-12.82	0	287.425	1.566	2	4	6	O=C(CSC[C@@H]1CCCCO1)N[C@H]1CC[C@@H](CO)C1
365632365	ZINC000172887884	mid	5.27	-6.24	0	293.407	1.983	0	4	9	COC[C@H]1CN(CCCOCCc2ccccc2)CCO1
365632368	ZINC000172884751	ref	5.11	-11.59	0	291.395	1.831	2	2	6	CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)[C@@H](C)NC(N)=O
365632310	ZINC000336549588	ref	6.17	-12.77	0	277.368	2.305	0	3	3	C[C@@H](c1ccccn1)N(C)C(=O)N(C)C1CCOCC1
398248224	ZINC000650869202	mid	6.43	-44.8	1	283.441	1.667	3	2	5	O=C(NCC[NH+]1CCSCC1)NC1(C2CCC2)CC1
342088066	ZINC000121239590	low	3.94	-86.61	2	262.357	1.142	3	2	6	C[C@]1(C(=O)NCCCNc2cccc[nH+]2)CCC[NH2+]1
342088067	ZINC000121194348	ref	6.3	-13.62	0	283.416	1.931	1	2	3	CC(=O)N1CC[C@H](CN(C)C(=O)N[C@H](C)C(C)(C)C)C1
398248228	ZINC000650869836	ref	4.56	-11.44	0	292.383	1.549	1	4	3	Cn1nccc1[C@@H]1COCCN1C(=O)NC[C@@H]1CC1(C)C
214183594	ZINC000337617635	ref	9.95	-14.24	0	293.37	3.317	1	3	4	CCc1cccc(CC(=O)Nc2ccc3c(c2)ncn3C)c1
214183596	ZINC000337616348	ref	2.48	-10.89	0	286.278	2.067	2	4	4	O=C(N[C@H]1CCCC[C@@H]1OC(F)F)c1ncccc1O
365632316	ZINC000336549994	ref	6.68	-9.71	0	268.401	2.138	0	2	2	CC(=O)N1CCN(C(=O)C[C@H](C)C(C)(C)C)[C@@H](C)C1
214183599	ZINC000337616348	mid	3.48	-52.95	-1	286.278	2.067	1	4	4	O=C(N[C@H]1CCCC[C@@H]1OC(F)F)c1ncccc1[O-]
214183603	ZINC000337616977	ref	8.32	-12.4	0	299.37	3.299	1	3	4	C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N[C@@H](c1ccccc1)c1ccco1
214183605	ZINC000337618763	ref	3.53	-19.57	0	270.292	2.43	1	5	2	Cc1noc2ncc(NC(=O)c3ccc(C)n3C)cc12
214183607	ZINC000337618639	ref	7.2	-7.53	0	287.241	3.145	2	3	3	CCc1oc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1C
214183610	ZINC000337618639	mid	7.13	-5.79	0	287.241	3.145	2	3	3	CCc1oc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1C
214183612	ZINC000337618985	ref	1.36	-10.1	0	286.372	0.149	2	4	8	C[C@H](NC(=O)C1CCCC1)C(=O)N(C)CCOCCO
365632319	ZINC000336549724	ref	5.58	-12.2	0	288.351	2.102	1	4	3	Cn1nccc1[C@H]1CCCN(C(=O)NCc2ccco2)C1
214183615	ZINC000337619755	ref	4.31	-13.54	0	271.426	2.23	1	2	3	CC1(C)CCCC[C@@H]1CC(=O)N[C@@H]1CC[S@](=O)C1
342088068	ZINC000121194187	ref	3.05	-42.32	1	297.443	1.133	2	3	4	C[C@H]1CN(C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342088069	ZINC000121194187	mid	5.05	-104.67	2	297.443	1.133	3	2	4	C[C@H]1C[N@@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
214183618	ZINC000337620025	ref	1.88	-9.93	0	259.346	0.659	1	4	7	CC[C@@H]1C[C@H](C(=O)N(C)CCOCCO)CCO1
365632325	ZINC000336549419	ref	8.48	-15.76	0	297.358	2.119	1	3	2	O=C([C@@H]1Cc2ccccc2O1)N1CCC(c2c[nH]cn2)CC1
365632330	ZINC000336549419	mid	8.45	-17.93	0	297.358	2.119	1	3	2	O=C([C@@H]1Cc2ccccc2O1)N1CCC(c2cnc[nH]2)CC1
342088070	ZINC000121194187	mid	5.04	-103.5	2	297.443	1.133	3	2	4	C[C@H]1C[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342594830	ZINC000590771445	ref	6.84	-7.65	0	261.35	1.839	0	4	2	CS[C@H]1CCN(C(=O)c2ncc(C#N)cc2C)C1
197591460	ZINC000162778674	ref	11.05	-23.02	0	302.353	2.886	1	4	4	C[C@H](CC(=O)Nc1nnc2n1CCCC2)c1ccccc1F
361823372	ZINC000616604842	ref	4.46	-57.86	1	271.32	1.947	1	3	1	COC(=O)N1CC[NH2+]C[C@H]1c1cccc2cnccc12
361823376	ZINC000616604842	mid	3.12	-9.26	0	271.32	1.947	1	4	1	COC(=O)N1CCNC[C@H]1c1cccc2cnccc12
342594831	ZINC000590771086	ref	7.51	-12.99	0	253.342	1.977	0	3	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@H]1C1CC1
361823381	ZINC000616604749	ref	4.07	-12.89	0	255.321	1.728	1	3	1	CC(=O)N1CCN[C@H](c2cccc3ncccc23)C1
342594832	ZINC000590770431	ref	10.59	-13.45	0	297.366	1.884	0	7	3	CCn1cnc2c(N3CCC[C@@H](n4ccnc4)C3)ncnc21
290622341	ZINC000492520062	ref	4.0	-12.57	0	283.331	2.123	1	4	5	COc1cc(CNC(=O)/C=C\c2ncccc2C)ccn1
349534411	ZINC000354896217	ref	4.33	-10.49	0	248.326	1.456	2	3	6	C=C[C@](C)(O)CC(=O)N[C@H](C)Cc1ccncc1
361823387	ZINC000616604749	mid	5.27	-58.06	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+][C@H](c2cccc3ncccc23)C1
342594833	ZINC000590770431	low	11.3	-37.91	1	297.366	1.884	0	6	3	CCn1cnc2c(N3CCC[C@@H](n4cc[nH+]c4)C3)ncnc21
361823392	ZINC000616604720	ref	2.49	-55.84	1	264.325	1.282	2	3	3	CCOC(=O)N1CC[NH2+]C[C@H]1c1ccccc1CO
361823396	ZINC000616604720	mid	1.09	-8.83	0	264.325	1.282	2	4	3	CCOC(=O)N1CCNC[C@H]1c1ccccc1CO
361823401	ZINC000531823164	ref	7.74	-40.29	1	296.411	1.566	2	3	3	COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1
361823406	ZINC000531823164	mid	7.79	-38.64	1	296.411	1.566	2	3	3	COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1
361823410	ZINC000616604643	ref	4.23	-67.93	0	257.293	1.859	1	3	1	O=C([O-])N1CC[NH2+]C[C@@H]1c1ccnc2ccccc12
361823415	ZINC000616604643	mid	2.91	-49.16	-1	257.293	1.859	1	4	1	O=C([O-])N1CCNC[C@@H]1c1ccnc2ccccc12
361823421	ZINC000616604619	ref	2.19	-12.8	0	257.293	1.687	1	3	1	NC(=O)N1CCOC[C@H]1c1ccnc2ccccc12
361823427	ZINC000531822009	ref	6.48	-39.18	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)s1
361823434	ZINC000531822009	mid	6.46	-37.58	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)s1
361823439	ZINC000531822009	mid	3.62	-8.05	0	279.409	1.918	1	4	4	CCc1ncc(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)s1
361823444	ZINC000616604793	ref	1.42	-12.17	0	256.309	1.26	2	3	1	NC(=O)N1CCNC[C@@H]1c1nccc2ccccc12
214183588	ZINC000278483151	ref	6.69	-12.2	0	304.39	2.309	0	3	3	CC[C@@H]1CO[C@H](C)CN1C(=O)c1ccc(N(C)C(C)=O)cc1
342088071	ZINC000127162136	ref	3.6	-10.56	0	291.319	1.515	0	3	3	C[C@H]1COCCN1S(=O)(=O)Cc1ccc(F)cc1F
214183592	ZINC000278483493	ref	2.91	-12.72	0	308.288	1.97	0	5	3	O=C(c1ccccc1)N1CCN(c2nnc(C(F)F)o2)CC1
214183595	ZINC000278483190	ref	9.36	-15.44	0	314.429	3.145	0	2	3	C[C@H]1CCC[C@@H](C)N1C(=O)Cc1cccc(N2CCCC2=O)c1
214183598	ZINC000278484113	ref	6.43	-10.69	0	315.421	3.035	2	4	6	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)C[C@H](C)C(C)C)n2)c1
342088072	ZINC000121269791	ref	7.86	-19.14	0	260.341	1.361	1	4	7	Cn1cncc1CCNC(=O)CCCn1cccc1
214183602	ZINC000278483911	ref	2.05	-51.1	-1	324.358	2.269	0	6	5	CCOC(=O)c1nc([N-]S(=O)(=O)c2cccc(C)c2)oc1C
214183604	ZINC000278483911	low	3.2	-11.62	0	324.358	2.269	1	6	5	CCOC(=O)c1nc(NS(=O)(=O)c2cccc(C)c2)oc1C
342088073	ZINC000121269791	low	8.38	-43.69	1	260.341	1.361	1	3	7	Cn1c[nH+]cc1CCNC(=O)CCCn1cccc1
342088074	ZINC000121228165	ref	6.68	-96.89	2	281.444	1.613	3	1	5	C[C@H]1C[C@@H](C)C[N@H+](CCCNC(=O)[C@]2(C)CCC[NH2+]2)C1
342088075	ZINC000121228165	mid	6.77	-97.92	2	281.444	1.613	3	1	5	C[C@H]1C[C@@H](C)C[N@@H+](CCCNC(=O)[C@]2(C)CCC[NH2+]2)C1
214183609	ZINC000278484044	ref	0.12	-9.47	0	313.423	1.907	2	6	5	CCOC(=O)N[C@H]1CCCN(Cc2cnc([C@H](C)O)s2)C1
214183614	ZINC000278484044	low	3.03	-47.98	1	313.423	1.907	3	5	5	CCOC(=O)N[C@H]1CCC[N@H+](Cc2cnc([C@H](C)O)s2)C1
214183617	ZINC000278484044	low	2.34	-47.32	1	313.423	1.907	3	5	5	CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cnc([C@H](C)O)s2)C1
214183619	ZINC000278483650	ref	5.14	-12.53	0	307.39	2.381	1	4	6	COc1ccc(CNC(=O)[C@H]2CCO[C@H]2C(C)C)cc1OC
342088076	ZINC000127162216	ref	4.96	-11.7	0	251.286	1.356	1	5	4	COC(=O)C1(C(=O)Nc2cnn(C(C)C)c2)CC1
342088077	ZINC000121224276	ref	6.72	-45.84	-1	290.279	1.006	1	6	5	Cn1cncc1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]
214183626	ZINC000278483042	ref	6.97	-13.38	0	316.735	1.818	0	2	3	O=C(Cc1ccccc1Cl)N1CCN(C(=O)C(F)F)CC1
365632312	ZINC000625065560	ref	7.46	-11.44	0	320.437	2.401	0	6	4	CC(C)Cn1c([C@@H]2CC[C@H](C)O2)nnc1N1CCC2(COC2)C1
300267251	ZINC000364046179	low	3.62	-55.94	0	285.344	-1.066	1	5	2	C[C@H]1C[N@@H+](C[C@H]2CN(C)CCO2)CCN1C(=O)C(=O)[O-]
342088078	ZINC000121224276	low	7.23	-58.47	0	290.279	1.006	1	5	5	Cn1c[nH+]cc1CCNC(=O)c1cc([N+](=O)[O-])ccc1[O-]
214183593	ZINC000293560058	ref	5.4	-15.43	0	366.422	0.482	3	7	5	Cc1nc(NC(=O)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C2CC2)nn1C
214183600	ZINC000293562715	ref	-0.76	-17.95	0	356.4	0.037	2	6	8	NC(=O)CNC(=O)c1cccc(OS(=O)(=O)CC[C@@H]2CCOC2)c1
343993715	ZINC000079916428	ref	5.31	-14.75	0	288.225	2.413	1	4	3	Cn1c(=O)oc2ccc(NC(=O)CCC(F)(F)F)cc21
214183606	ZINC000293566641	ref	-0.17	-11.06	0	352.782	0.56	2	7	6	COc1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)c(Cl)n1
214183613	ZINC000293568180	ref	0.63	-15.27	0	355.416	0.089	2	5	5	CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@@H]2COC)c1C
214183625	ZINC000293563950	ref	5.25	-33.55	1	358.398	0.989	1	6	1	Cc1cc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cn2ccnc12
214183629	ZINC000293563950	mid	5.25	-33.55	1	358.398	0.989	1	5	1	Cc1cc(NC(=O)C(=O)N2CCOC3(CCOCC3)C2)cn2cc[nH+]c12
214183634	ZINC000293562851	ref	1.43	-61.19	1	353.444	0.825	3	4	6	CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2
214183637	ZINC000293568093	ref	8.53	-12.85	0	355.398	0.785	1	6	2	Cn1cnc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@H]32)n1
214183642	ZINC000293565130	ref	3.61	-49.84	1	354.426	0.747	3	4	8	CC[C@@H](C)[C@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCCN1CCOCC1
214183646	ZINC000293565130	low	3.61	-49.84	1	354.426	0.747	4	3	8	CC[C@@H](C)[C@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCC[NH+]1CCOCC1
214183649	ZINC000293556600	ref	0.63	-17.68	0	368.455	0.669	2	5	5	CS(=O)(=O)N1CCCc2cc(C(=O)NC[C@H]3CC[C@@H](CO)O3)ccc21
214183654	ZINC000293566408	ref	3.88	-10.62	0	362.386	0.219	2	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@H]2C12CCC2
342088079	ZINC000621362967	ref	5.14	-34.39	1	268.401	1.338	2	2	3	C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1CO
199272993	ZINC000181266279	ref	7.8	-14.17	0	312.369	2.435	0	4	3	COc1cccc2c1CCN(C(=O)c1cc(C(C)=O)cn1C)C2
342088080	ZINC000621362967	mid	5.38	-34.87	1	268.401	1.338	2	2	3	C[C@@H]1CC[N@@H+](CC(=O)N2CCCC[C@H]2C)C[C@@H]1CO
342088081	ZINC000621362967	high	2.6	-6.05	0	268.401	1.338	1	3	3	C[C@@H]1CCN(CC(=O)N2CCCC[C@H]2C)C[C@@H]1CO
342088082	ZINC000609045784	ref	6.98	-53.43	1	295.339	1.214	2	4	8	CC[N@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1
342088083	ZINC000609045784	mid	6.98	-53.38	1	295.339	1.214	2	4	8	CC[N@@H+](C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1
342088084	ZINC000609045784	high	4.65	-17.74	0	295.339	1.214	1	5	8	CCN(C)CCNC(=O)Cc1ccc(OC)c([N+](=O)[O-])c1
282122029	ZINC000248969028	ref	3.89	-45.26	1	311.447	1.908	2	3	6	Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@H]2CC[C@@H](O)C2)cc1
282122039	ZINC000248969028	high	2.76	-10.7	0	311.447	1.908	2	4	6	Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@H]2CC[C@@H](O)C2)cc1
365632320	ZINC000625063958	ref	3.81	-15.87	0	303.337	2.145	0	4	3	CC(=O)N1CCN(Cc2coc(-c3ccccc3F)n2)CC1
365632326	ZINC000625065441	ref	6.07	-12.44	0	308.344	2.482	1	2	5	CCCC(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)C(F)(F)F)C1
342594834	ZINC000590771444	ref	6.83	-7.63	0	261.35	1.839	0	4	2	CS[C@@H]1CCN(C(=O)c2ncc(C#N)cc2C)C1
365632334	ZINC000625063811	ref	7.49	-13.35	0	312.369	2.479	1	3	6	C[C@H](CC(=O)NCCN1C(=O)Cc2ccccc21)c1ccco1
365632343	ZINC000625065812	ref	3.08	-10.18	0	316.511	2.008	0	4	7	CCC[C@@H](C)CCCN1CCN([C@H]2CCS(=O)(=O)C2)CC1
342594835	ZINC000590771134	ref	4.3	-11.88	0	297.326	1.893	2	4	7	COC(=O)c1ccc(C(=O)N[C@H](C)CCCCO)cc1F
342594836	ZINC000590771263	ref	2.52	-24.92	0	267.35	1.333	1	3	4	C[S@](=O)c1cccc(C(=O)NC[C@H]2CCCO2)c1
197591473	ZINC000162782164	ref	8.63	-29.27	0	324.335	2.004	1	6	4	Cc1nn(C(F)F)c(C)c1CC(=O)Nc1nnc2n1CCCC2
197591475	ZINC000162785237	ref	9.02	-7.0	0	319.47	3.222	0	3	3	Cc1ccccc1[C@H](C)CC(=O)N1CCS[C@H]2COCC[C@@H]21
365632351	ZINC000625065812	low	5.49	-49.0	1	316.511	2.008	1	3	7	CCC[C@@H](C)CCC[NH+]1CCN([C@H]2CCS(=O)(=O)C2)CC1
398248225	ZINC000625698693	ref	6.15	-9.1	0	211.305	1.882	1	2	7	C=CC[C@H](C)NC(=O)[C@@H](OCC)C1CC1
342594837	ZINC000590771575	ref	5.31	-13.43	0	266.366	1.597	0	4	4	COc1cccnc1CC(=O)N1CC[C@H](SC)C1
342594838	ZINC000590770622	ref	4.85	-39.65	1	288.395	1.001	2	4	2	O[C@H]1CCC[C@@H]1[NH+]1CCN(c2cc3c(nn2)CCC3)CC1
365632357	ZINC000625066034	ref	2.7	-16.11	0	305.353	2.437	1	4	6	CC(C)NC(=O)CN(C)Cc1coc(-c2ccccc2F)n1
342594839	ZINC000590770622	mid	2.64	-9.75	0	288.395	1.001	1	5	2	O[C@H]1CCC[C@@H]1N1CCN(c2cc3c(nn2)CCC3)CC1
349534412	ZINC000621234440	ref	5.76	-8.82	0	283.412	2.467	0	3	5	CC(C)CCO[C@@H]1CCN(C(=O)C2(C)CCOCC2)C1
365632362	ZINC000625065333	ref	2.05	-10.0	0	315.373	2.061	0	6	5	COc1cncc(CN2CCc3cc(OC)c(OC)cc3C2)n1
342594840	ZINC000590770875	ref	6.42	-38.36	1	298.39	1.665	2	4	2	O[C@@H]1CCC[C@H]1[NH+]1CCN(c2ncnc3ccccc23)CC1
398248227	ZINC000625687058	ref	6.05	-33.02	1	231.286	2.428	1	1	2	FC1(F)C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H]1CCCO1
343993716	ZINC000599270798	ref	5.63	-11.46	0	257.297	1.397	1	5	4	CC(C)C[C@@H](C#N)NC(=O)c1ccnc2ccnn12
342088085	ZINC000034141557	ref	2.33	-5.4	0	251.277	1.914	0	4	1	CN1CCN(c2nc(C(F)(F)F)cs2)CC1
365632329	ZINC000641599993	ref	4.0	-11.8	0	253.248	1.101	1	2	2	O=C(Cc1cc(F)ccc1F)N1C[C@@H]2C[C@]2(O)C1
365632336	ZINC000249889773	ref	7.41	-42.85	1	254.374	1.402	2	2	7	CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)OCC1CC1
230725379	ZINC000414279025	ref	9.39	-37.66	1	311.466	3.149	1	3	8	CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)OCC2CC2)C[C@@H]1C
230725382	ZINC000414278492	ref	8.1	-48.1	1	305.466	3.446	1	3	5	C[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)C1CCCCCC1
282122030	ZINC000533468390	ref	4.52	-14.07	0	258.306	1.314	1	6	2	Nc1nc(Cn2ccsc2=O)nc2ccccc12
282122037	ZINC000533469442	ref	1.9	-13.25	0	298.305	1.368	2	3	5	C[C@@H](O)[C@@H]1CCCN(C(=O)NCCOCC(F)(F)F)C1
365632341	ZINC000249889773	mid	6.61	-40.9	1	254.374	1.402	2	2	7	CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)OCC1CC1
230725396	ZINC000414281368	ref	7.1	-47.08	1	305.418	3.312	1	3	5	CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1ccc2c(c1)OCCO2
365632347	ZINC000249889773	high	4.52	-10.92	0	254.374	1.402	1	3	7	CCN1CCC[C@H]1CNC(=O)[C@H](C)OCC1CC1
365632354	ZINC000160969913	ref	7.42	-53.16	0	297.399	1.367	2	3	4	C[NH+](C)C1(CNC(=O)N2CCC[C@H](C(=O)[O-])C2)CCCC1
365632373	ZINC000641599006	ref	1.84	-16.25	0	274.324	1.258	3	5	2	O=c1[nH]cnc2ccc(N[C@@H]3CCCCC[C@H]3O)nc12
230725408	ZINC000414280589	ref	8.53	-51.07	1	311.429	3.083	1	3	4	Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1
365632384	ZINC000641597687	ref	4.35	-11.88	0	271.324	1.058	1	6	4	Cn1nccc1-c1ccc(NCC2=CCCOC2)nn1
365632387	ZINC000641598106	ref	1.06	-18.1	0	298.368	1.318	1	6	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1cn(C)cn1
342088086	ZINC000034141557	mid	4.69	-43.27	1	251.277	1.914	1	3	1	C[NH+]1CCN(c2nc(C(F)(F)F)cs2)CC1
365632390	ZINC000641598106	high	0.69	-54.58	-1	298.368	1.318	0	6	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cn(C)cn1
342088087	ZINC000121268018	ref	6.82	-18.35	0	269.308	1.04	1	5	4	Cn1cncc1CCNC(=O)c1cnc2ccccn12
282122044	ZINC000533467970	ref	5.63	-12.02	0	261.329	1.03	1	6	2	Cc1nnc2c(N3CCC[C@@H]([C@H](C)O)C3)nccn12
342088088	ZINC000121268018	low	7.33	-43.01	1	269.308	1.04	1	4	4	Cn1c[nH+]cc1CCNC(=O)c1cnc2ccccn12
282122047	ZINC000533468647	ref	7.18	-10.99	0	271.299	1.959	2	4	5	Fc1cnc(NCCCc2nc3ccccc3[nH]2)nc1
365632395	ZINC000641597481	ref	4.65	-12.46	0	275.352	1.56	2	5	6	Cc1nc(NCC(C)(C)OCCO)nc2ccccc12
214183597	ZINC000053459515	ref	5.15	-28.63	0	341.82	1.958	1	5	6	CCS(=O)(=O)CC(=O)Nc1ccnn1Cc1ccc(Cl)cc1
214183601	ZINC000053455126	ref	5.84	-11.19	0	332.429	2.905	0	6	4	CCSc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)ccn1
214183608	ZINC000053455414	ref	5.56	-22.19	0	333.417	2.233	2	5	4	CC(C)c1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)[nH]n1
398248229	ZINC000285854570	low	0.21	-36.02	1	214.29	0.335	2	4	3	C[N@H+](Cc1nccs1)[C@@H]1COC[C@H]1O
214183611	ZINC000053455414	mid	5.27	-22.52	0	333.417	2.233	2	5	4	CC(C)c1cc(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)n[nH]1
214183616	ZINC000053453924	ref	5.17	-13.82	0	345.443	2.348	3	3	8	CCCC(=O)Nc1ccc(CNC(=O)CNC(=O)C2CCCC2)cc1
214183628	ZINC000053459147	ref	8.67	-12.5	0	332.762	4.081	1	3	4	COc1cc(F)ccc1NC(=O)Cn1ccc2ccc(Cl)cc21
214183633	ZINC000053453482	ref	8.3	-11.0	0	341.436	4.164	0	6	6	C/C=C/c1ccc(OCc2csc(-c3cnn(C)c3)n2)c(OC)c1
214183638	ZINC000053452681	ref	5.96	-11.32	0	328.503	3.255	1	5	7	Cc1csc(SCC(=O)NCCO[C@@H]2CCCC[C@@H]2C)n1
214183643	ZINC000053463159	ref	6.93	-14.37	0	331.416	2.871	1	5	9	COCCOCCCC(=O)Nc1ccccc1-n1nc(C)cc1C
214183647	ZINC000053455809	ref	5.97	-18.38	0	345.443	1.687	2	3	6	Cc1cc(C)cc(N2CC[C@H](C(=O)NCCC(=O)NC(C)C)C2=O)c1
214183650	ZINC000053459289	ref	6.58	-11.28	0	347.465	3.823	1	6	5	COCc1cccc(NC(=O)c2cc3sc(N(C)C)nc3s2)c1
282122031	ZINC000449152968	ref	6.25	-38.37	1	294.439	2.325	1	2	3	CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1
214183655	ZINC000053456627	ref	8.92	-14.11	0	342.399	3.304	1	5	4	C[C@@H]1CCC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1
214183657	ZINC000053463132	ref	6.62	-17.69	0	339.33	2.617	2	5	4	CC(=O)Nc1cc(C(=O)Nc2cccnc2-n2cccn2)ccc1F
365632333	ZINC000336549419	low	8.97	-50.36	1	297.358	2.119	1	2	2	O=C([C@@H]1Cc2ccccc2O1)N1CCC(c2c[nH+]c[nH]2)CC1
178300224	ZINC000095942528	ref	5.7	-53.29	-1	223.232	0.574	0	5	2	Cc1cc2n(n1)[C@H](C)CC(=O)N2CC(=O)[O-]
230725388	ZINC000450374843	ref	6.97	-47.74	1	311.47	1.726	2	2	6	CC(=O)NC[C@H](CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C)CC(C)C
136229101	ZINC000184912058	ref	8.02	-10.07	0	229.323	2.805	1	1	5	CC#CCCCC(=O)NCc1ccc(C)cc1
398248231	ZINC000285854570	low	0.46	-36.23	1	214.29	0.335	2	4	3	C[N@@H+](Cc1nccs1)[C@@H]1COC[C@H]1O
136229102	ZINC000292805493	ref	1.16	-8.74	0	243.694	0.59	2	4	6	C=C[C@H](CO)NC(=O)CCn1cc(Cl)cn1
230725391	ZINC000450374843	mid	7.39	-47.81	1	311.47	1.726	2	2	6	CC(=O)NC[C@H](CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C)CC(C)C
230725394	ZINC000450374843	mid	4.69	-12.69	0	311.47	1.726	1	3	6	CC(=O)NC[C@H](CC(=O)N1CCN(C)[C@@H](C)[C@@H]1C)CC(C)C
342594841	ZINC000590770875	high	4.18	-7.16	0	298.39	1.665	1	5	2	O[C@@H]1CCC[C@H]1N1CCN(c2ncnc3ccccc23)CC1
342594842	ZINC000590770874	ref	6.25	-39.97	1	298.39	1.665	2	4	2	O[C@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3ccccc23)CC1
282122032	ZINC000151636668	ref	6.81	-41.4	1	319.449	2.405	3	2	9	COCCC1(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1
282122035	ZINC000151636668	high	4.73	-8.57	0	319.449	2.405	2	3	9	COCCC1(CNC(=O)NC[C@H](c2ccccc2)N(C)C)CC1
361823384	ZINC000599874092	mid	6.08	-37.87	1	281.312	0.052	1	5	8	C=CCOC[C@@H](NC(=O)Cn1c[nH+]cc1C)C(=O)OC
230725421	ZINC000450377406	ref	4.63	-9.03	0	312.167	1.567	0	5	5	COCCOC1CN(c2ncc(Br)cc2C#N)C1
230725437	ZINC000450376154	ref	5.03	-10.23	0	320.422	1.61	0	8	5	CCOc1ccnc(N2CCN([C@@H](C)c3csnn3)CC2)n1
343994926	ZINC000599274559	mid	4.3	-38.59	1	287.4	1.173	3	4	9	COC(=O)CC[N@@H+](CC(C)C)C[C@@H](O)CC1(O)CCC1
361823390	ZINC000599873538	ref	4.38	-10.89	0	299.367	0.906	1	5	7	C=CCOC[C@H](NC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)OC
361823399	ZINC000599869481	ref	7.33	-44.61	1	279.384	0.694	1	2	5	CN(C(=O)CCN1CCCC1=O)[C@H]1CC[N@@H+](C2CC2)C1
361823403	ZINC000599869481	mid	7.25	-44.46	1	279.384	0.694	1	2	5	CN(C(=O)CCN1CCCC1=O)[C@H]1CC[N@H+](C2CC2)C1
361823409	ZINC000599869481	high	4.89	-13.17	0	279.384	0.694	0	3	5	CN(C(=O)CCN1CCCC1=O)[C@H]1CCN(C2CC2)C1
361823417	ZINC000599874525	ref	3.04	-11.1	0	252.274	0.152	1	6	4	CNc1cnc(C(=O)N(C)[C@@H](C)C(=O)OC)cn1
361823425	ZINC000599874212	ref	3.4	-10.79	0	260.297	0.888	2	4	3	Cc1c(N)cccc1NC(=O)C(=O)N(C)CCC#N
361823431	ZINC000599873113	ref	4.51	-10.79	0	252.274	0.246	0	6	4	COC(=O)[C@H](C)N(C)C(=O)c1cn(C2CC2)nn1
361823442	ZINC000599879912	ref	2.17	-7.44	0	293.323	0.584	3	5	3	COC(=O)C(C)(C)NC(=O)C(=O)Nc1cccc(N)c1C
361823449	ZINC000599872103	ref	2.46	-27.0	0	293.279	0.35	0	7	5	COC(=O)c1ncoc1COCC(=O)N1CC(C)(C#N)C1
361823460	ZINC000599868845	ref	4.73	-15.37	0	284.291	0.879	1	5	4	COC(=O)[C@@H]1CCN(C(=O)Nc2cnn(CCF)c2)C1
361823466	ZINC000599875612	ref	3.85	-22.3	0	275.308	0.979	0	5	5	COc1ccc(COCC(=O)N2CC(C)(C#N)C2)cn1
361823473	ZINC000599872599	ref	3.44	-16.95	0	289.339	0.738	1	6	6	N#CCC1(CNC(=O)c2cn(C[C@H]3CCOC3)nn2)CC1
343993720	ZINC000599269772	ref	6.47	-45.97	1	272.348	1.936	2	3	4	N#CC1(C[C@H](O)C[N@@H+]2CCOc3ccccc3C2)CC1
343993723	ZINC000599269772	mid	6.46	-46.49	1	272.348	1.936	2	3	4	N#CC1(C[C@H](O)C[N@H+]2CCOc3ccccc3C2)CC1
365632335	ZINC000354699027	ref	3.43	-21.31	0	283.372	1.165	2	5	9	CC[C@@H](O)CCCNC(=O)CO[C@H](C)c1nccn1C
214183620	ZINC000337617033	ref	0.66	-43.4	1	269.349	-0.468	4	4	6	Cn1nccc1CNC(=O)NC[C@](C)(O)C[NH+](C)C
214183621	ZINC000337617033	high	-1.25	-9.06	0	269.349	-0.468	3	5	6	CN(C)C[C@@](C)(O)CNC(=O)NCc1ccnn1C
214183622	ZINC000337617736	ref	6.8	-7.17	0	253.386	3.077	1	2	5	CC(=O)CCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1
365632345	ZINC000354697764	ref	3.09	-8.88	0	297.273	1.004	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CC[C@H](C(F)(F)F)C1)[C@@H](C)O
214183623	ZINC000337616728	ref	5.76	-11.12	0	276.789	2.438	1	4	7	CCSCCCNC(=O)Cc1c(C)noc1Cl
365632355	ZINC000354698201	ref	3.97	-11.04	0	280.368	1.735	1	4	9	CCc1ccc(C(=O)NCCCOCCOC)c(C)n1
185087491	ZINC000096071398	high	6.43	-7.05	0	292.81	3.04	0	2	1	CN1CCC[C@@]12CCCN(C(=O)c1ccc(Cl)cc1)C2
299072156	ZINC000358088144	mid	6.4	-43.8	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@H]1C
365639085	ZINC000274371266	mid	3.78	-19.15	0	278.291	1.784	3	4	4	CCc1nc([C@@H](C)NC(=O)Nc2cccc(F)n2)n[nH]1
365639088	ZINC000274368908	ref	4.24	-23.38	0	286.422	1.69	0	4	5	Cc1ncc(/C=C/C(=O)N(C)[C@H](C)C[S@@](C)=O)s1
342088089	ZINC000150877443	ref	5.22	-14.75	0	299.436	1.994	0	3	2	O=C(C[C@H]1CCS(=O)(=O)C1)N1CCC2(CCCC2)CC1
365639092	ZINC000274369827	ref	2.39	-42.09	1	287.31	1.401	4	2	7	CC[N@H+](CCO)CCNC(=O)Nc1cccc(F)c1F
342088090	ZINC000090067662	ref	1.43	-10.3	0	280.368	1.522	3	4	9	CCOCCCNC(=O)[C@@H](C)Nc1ccc(CO)cc1
342088091	ZINC000600314821	ref	6.77	-41.85	1	251.374	1.774	2	2	4	C[N@@H+]1CCCC[C@@H](CNC(=O)CC(C)(C)C#N)C1
214183630	ZINC000337615374	ref	4.78	-9.86	0	281.368	2.042	2	3	6	CSCC[C@@H](O)C(=O)NC[C@@H]1CCCC(F)(F)C1
214183631	ZINC000337617114	ref	6.42	-16.9	0	299.37	2.019	1	3	6	CN(CCOCCO)C(=O)c1ccc2c3c(cccc13)CC2
342088092	ZINC000600314821	mid	6.6	-41.74	1	251.374	1.774	2	2	4	C[N@H+]1CCCC[C@@H](CNC(=O)CC(C)(C)C#N)C1
214183635	ZINC000337617875	ref	8.32	-17.57	0	273.384	2.365	1	4	3	C[C@@H]1CCC[C@H](CCN=c2ncnc3[nH]n(C)cc2-3)C1
214183639	ZINC000337616432	ref	7.41	-10.96	0	285.391	2.342	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CC2(CCCC2)C1
365639095	ZINC000274369827	mid	2.41	-42.14	1	287.31	1.401	4	2	7	CC[N@@H+](CCO)CCNC(=O)Nc1cccc(F)c1F
365632339	ZINC000336549419	low	8.95	-50.37	1	297.358	2.119	1	2	2	O=C([C@@H]1Cc2ccccc2O1)N1CCC(c2c[nH]c[nH+]2)CC1
365632346	ZINC000336549726	ref	4.92	-9.61	0	289.441	2.253	0	3	3	CC(C)(C)CS(=O)(=O)N1CCC[C@H]1C1CCOCC1
365632352	ZINC000336550001	ref	6.64	-14.43	0	256.309	2.253	1	4	3	Cc1ccnc(NC(=O)c2cc(C3CC3)n(C)n2)c1
365632358	ZINC000336549723	ref	5.31	-9.14	0	289.441	2.253	0	3	3	CC(C)(C)CS(=O)(=O)N1CCC[C@@H]1C1CCOCC1
365632363	ZINC000336549392	ref	6.67	-37.58	1	274.339	2.472	2	2	3	Cn1cccc1C[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1
365632367	ZINC000336549392	mid	7.34	-38.49	1	274.339	2.472	2	2	3	Cn1cccc1C[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1
365632371	ZINC000336549392	mid	4.23	-5.62	0	274.339	2.472	1	3	3	Cn1cccc1CN1C[C@H](O)C[C@@H]1c1cccc(F)c1
365632376	ZINC000336549403	ref	4.72	-9.78	0	289.379	2.094	1	3	2	CNC(=O)c1ccc(C(=O)N2CCCCC(C)(C)C2)cn1
365632380	ZINC000336549527	ref	7.4	-52.07	1	293.333	2.017	1	1	1	CN(CC(F)(F)F)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21
365632391	ZINC000336549527	mid	6.87	-33.76	1	293.333	2.017	1	1	1	CN(CC(F)(F)F)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21
365632394	ZINC000336549527	high	5.34	-9.05	0	293.333	2.017	0	2	1	CN1CC[C@@H]2[C@@H](CCCN2C(=O)N(C)CC(F)(F)F)C1
365632398	ZINC000336549894	ref	5.86	-9.05	0	280.318	2.208	1	2	3	O=C1C[C@@H](NCc2c(F)cccc2F)[C@@H]2CCCCN12
365632401	ZINC000336549894	mid	7.0	-46.28	1	280.318	2.208	1	1	3	O=C1C[C@@H]([NH2+]Cc2c(F)cccc2F)[C@@H]2CCCCN12
342594843	ZINC000590770874	high	4.03	-7.2	0	298.39	1.665	1	5	2	O[C@H]1CCC[C@@H]1N1CCN(c2ncnc3ccccc23)CC1
187168773	ZINC000125081100	mid	3.65	-8.81	0	292.379	2.374	1	4	6	CC[C@@H]1CCN(CC(=O)Nc2ccc(OC)cc2OC)C1
178300227	ZINC000031943788	ref	6.99	-7.69	0	202.301	3.477	1	1	0	Cc1cc2nc(C(C)(C)C)[nH]c2cc1C
365632405	ZINC000336549830	ref	7.07	-40.34	1	280.412	2.032	1	2	3	C[N@@H+]1CCCC12CCN(C(=O)CC[C@@H]1CCCO1)CC2
365632407	ZINC000336549830	mid	7.08	-40.05	1	280.412	2.032	1	2	3	C[N@H+]1CCCC12CCN(C(=O)CC[C@@H]1CCCO1)CC2
187168774	ZINC000125090816	ref	7.74	-46.95	1	288.391	3.042	1	3	9	COCc1ccc(C[NH2+]CCCN(C)c2ccccc2)o1
365632412	ZINC000336549858	ref	6.24	-12.08	0	264.373	2.108	1	3	3	CC[C@@H](C)NC(=O)N1CCC[C@@H](c2ccnn2C)C1
365632416	ZINC000336549820	ref	8.6	-40.89	1	262.397	2.119	1	1	1	C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1[C@H]3CCC[C@H]31)CC2
365632421	ZINC000336549820	mid	8.61	-40.42	1	262.397	2.119	1	1	1	C[N@H+]1CCCC12CCN(C(=O)[C@@H]1[C@H]3CCC[C@H]31)CC2
214183632	ZINC000278484077	ref	10.25	-17.41	0	320.396	3.056	0	4	2	Cc1ccc([C@H]2C[C@H](C)N(C(=O)c3nccn4ccnc34)C2)cc1
214183636	ZINC000278483070	ref	8.08	-13.59	0	318.45	2.167	1	7	4	c1nn(Cc2nnc3n2CCCC3)cc1NC1CCSCC1
290622344	ZINC000492521837	ref	4.99	-12.72	0	258.321	2.114	0	3	3	COc1cncc(/C=C/C(=O)N2C[C@@H]3CCC[C@H]32)c1
214183645	ZINC000278483304	ref	9.06	-12.79	0	312.421	2.627	1	6	5	C1=CC[C@H](CNc2cnn(Cc3nnc4n3CCCC4)c2)CC1
178300228	ZINC000082795277	ref	2.97	-5.65	0	271.162	2.098	1	4	4	CN[C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
178300230	ZINC000082795277	low	4.27	-48.83	1	271.162	2.098	1	3	4	C[NH2+][C@@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
214183648	ZINC000278483474	ref	8.05	-23.68	0	302.378	1.24	0	5	2	C[C@H]1C[C@H](C)CN(C(=O)Cn2ccc(=O)c3cnn(C)c32)C1
342088093	ZINC000600314825	ref	7.34	-44.87	1	251.374	1.918	2	2	6	C[N@@H+]1CCCC[C@@H](CNC(=O)CCCCC#N)C1
342088094	ZINC000600314825	mid	7.17	-44.73	1	251.374	1.918	2	2	6	C[N@H+]1CCCC[C@@H](CNC(=O)CCCCC#N)C1
282122033	ZINC000424414908	ref	9.52	-36.01	0	253.386	3.046	1	2	7	CCC(CC)(C[NH2+][C@H]1CC[C@H]1C1CCC1)C(=O)[O-]
214183651	ZINC000278484287	ref	8.59	-45.52	1	319.401	2.389	1	4	9	C[N@H+](CCOCC1CC1)CCC(=O)c1ccc2c(c1)OCCO2
214183653	ZINC000278484287	mid	8.59	-45.26	1	319.401	2.389	1	4	9	C[N@@H+](CCOCC1CC1)CCC(=O)c1ccc2c(c1)OCCO2
282122036	ZINC000192703465	ref	8.2	-49.52	1	337.468	2.808	1	6	8	CCC(CC)(C[NH2+][C@H](C)c1nnnn1C1CCCCC1)C(=O)OC
342088095	ZINC000121317774	ref	5.95	-19.17	0	281.303	1.374	1	4	6	Cn1cncc1CCNC(=O)CSCC(F)(F)F
214183656	ZINC000278484287	mid	6.21	-10.28	0	319.401	2.389	0	5	9	CN(CCOCC1CC1)CCC(=O)c1ccc2c(c1)OCCO2
365632364	ZINC000576584771	high	6.38	-38.95	1	234.387	2.581	2	1	7	C[C@H](N)C[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1
342088096	ZINC000121317774	low	6.47	-44.08	1	281.303	1.374	1	3	6	Cn1c[nH+]cc1CCNC(=O)CSCC(F)(F)F
214183659	ZINC000278482799	ref	0.09	-10.16	0	307.375	1.43	3	5	3	Cc1nc2ccc(NC(=O)C(=O)NC(C)(C)CO)cc2s1
398248230	ZINC000361805679	ref	5.8	-38.51	1	243.391	2.593	1	2	5	CO[C@H](C[NH2+][C@@H]1CC(C)(C)OC1(C)C)C(C)C
214190400	ZINC000337634779	ref	6.66	-48.06	1	269.389	0.798	1	2	6	CC[C@@H]1C(=O)N(CC)CCN1C(=O)C[NH+](CC)CC
342088097	ZINC000121209800	ref	5.17	-45.86	1	285.351	1.026	2	4	4	C[C@]1(C(=O)NCc2ccnc(-n3cccn3)c2)CCC[NH2+]1
342088098	ZINC000600314838	ref	5.09	-14.95	0	289.332	1.087	1	6	8	COC(=O)CSCCC(=O)Nc1cnn(CCF)c1
342594844	ZINC000590771129	ref	0.6	-11.93	0	260.293	1.155	3	4	3	N#Cc1cc(O)cc(C(=O)N[C@H]2CC[C@@H](CO)C2)c1
230725432	ZINC000414281584	ref	7.18	-47.2	1	305.418	3.312	1	3	5	CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1ccc2c(c1)OCCO2
365632366	ZINC000625065333	low	4.86	-50.03	1	315.373	2.061	1	5	5	COc1cncc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)n1
342594845	ZINC000590771129	mid	1.35	-37.06	-1	260.293	1.155	2	4	3	N#Cc1cc([O-])cc(C(=O)N[C@H]2CC[C@@H](CO)C2)c1
230725438	ZINC000414279548	ref	8.44	-16.24	0	301.496	3.354	0	2	8	CCCN(CCC)C(=O)C[S@@](=O)CC1(C)CCCCC1
365632372	ZINC000625065333	low	4.31	-50.09	1	315.373	2.061	1	5	5	COc1cncc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)n1
365632377	ZINC000625065449	ref	6.07	-12.27	0	308.344	2.482	1	2	5	CCCC(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)C(F)(F)F)C1
290622345	ZINC000458773263	ref	7.41	-17.8	0	266.291	2.835	1	1	1	C[C@H]1CC[C@@H]1NC(=O)N1CCc2ccc(F)c(F)c21
290622355	ZINC000295900895	ref	9.86	-14.1	0	312.417	3.179	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3CCc4ccccc4[C@H]3C)n2C)O1
342594846	ZINC000590770857	ref	5.45	-6.25	0	290.289	1.166	2	5	5	CN(C)c1cc(C(F)(F)F)nc(NC[C@@H](O)C2CC2)n1
290622360	ZINC000335342618	ref	3.94	-14.78	0	255.339	1.613	0	4	2	C[C@H]1CC[C@@H](n2cc(S(C)(=O)=O)ccc2=O)C1
342594847	ZINC000616962437	ref	3.05	-16.53	0	266.366	1.664	2	3	2	CC(C)(C)c1ccc(C(=O)N[C@H]2CCNC2=O)s1
187168775	ZINC000125090816	high	6.37	-7.46	0	288.391	3.042	1	4	9	COCc1ccc(CNCCCN(C)c2ccccc2)o1
365632382	ZINC000625064020	ref	6.58	-40.69	1	306.406	2.266	2	3	6	COC1CC(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1
365632389	ZINC000625064020	mid	4.67	-13.05	0	306.406	2.266	1	4	6	COC1CC(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)C1
365632392	ZINC000625066176	ref	5.5	-9.89	0	310.419	2.351	0	4	1	C[C@H]1CN(C(=O)N2CCO[C@@H](c3cccs3)C2)C[C@@H](C)O1
365632397	ZINC000625066181	ref	5.52	-9.81	0	310.419	2.351	0	4	1	C[C@H]1CN(C(=O)N2CCO[C@H](c3cccs3)C2)C[C@@H](C)O1
365632400	ZINC000625065210	ref	1.03	-16.44	0	303.337	2.178	1	4	4	NC(=O)C1CCN(Cc2coc(-c3ccccc3F)n2)CC1
365632403	ZINC000625065210	mid	3.4	-50.5	1	303.337	2.178	2	3	4	NC(=O)C1CC[NH+](Cc2coc(-c3ccccc3F)n2)CC1
342594848	ZINC000616962422	ref	4.26	-16.62	0	294.782	1.913	2	2	4	CC(C)(Cc1cccc(Cl)c1)C(=O)N[C@@H]1CCNC1=O
293077996	ZINC000561317281	ref	5.3	-40.37	1	267.398	1.705	2	3	5	C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1nccs1
214183641	ZINC000337619328	ref	2.34	-14.31	0	272.264	2.388	1	6	2	Cc1noc(C)c1C(=O)Nc1cnc2onc(C)c2c1
214183644	ZINC000337619259	ref	4.75	-6.71	0	273.442	2.387	1	3	5	CC[C@@]1(CO)CCCN(C(=O)C(C)(C)CSC)C1
214190401	ZINC000278494230	ref	5.24	-5.8	0	304.257	2.51	0	4	3	CC[C@H]1CN(Cc2c(Br)cnn2C)CCS1
214190404	ZINC000278494230	low	6.9	-42.98	1	304.257	2.51	1	3	3	CC[C@H]1C[N@H+](Cc2c(Br)cnn2C)CCS1
214190406	ZINC000278494230	low	7.35	-42.47	1	304.257	2.51	1	3	3	CC[C@H]1C[N@@H+](Cc2c(Br)cnn2C)CCS1
214190409	ZINC000278495207	ref	2.38	-10.75	0	318.352	1.51	1	5	5	CNC(=O)[C@@H]1CCCN1Cc1nc(Cc2cccc(F)c2)no1
214190412	ZINC000278495048	ref	7.04	-12.12	0	307.371	2.591	0	6	8	COC[C@H](OC(=O)COCc1ccccc1)c1nccs1
342594849	ZINC000616962410	ref	2.37	-17.95	0	269.304	1.162	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)cnc2ccccc12
214190417	ZINC000278496128	ref	3.86	-44.9	1	306.406	2.149	3	3	5	CC(C)(C)OC(=O)NCCC[NH2+][C@H]1c2ccccc2C[C@H]1O
214190418	ZINC000278496128	high	2.46	-8.23	0	306.406	2.149	3	4	5	CC(C)(C)OC(=O)NCCCN[C@H]1c2ccccc2C[C@H]1O
349534413	ZINC000594967625	ref	6.21	-43.58	1	286.466	2.911	1	4	8	COC1CC(CC[NH2+]Cc2ncc(CSC)s2)C1
398248232	ZINC000625687058	mid	6.4	-33.06	1	231.286	2.428	1	1	2	FC1(F)C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H]1CCCO1
199272996	ZINC000294963034	ref	1.84	-10.04	0	281.056	2.143	2	3	2	CC(F)(F)C(=O)Nc1nc(Br)ccc1O
190493306	ZINC000269423584	ref	6.17	-19.58	0	296.33	1.785	1	4	4	O=C(Cc1cccnc1)Nc1ccc(N2CCCC2=O)cn1
214190421	ZINC000278495867	ref	2.2	-45.49	1	322.405	1.783	3	4	8	COc1ccc(OC)c(NC(=O)C[NH2+][C@H]2CCC[C@@H]2CCO)c1
214190423	ZINC000278495867	high	1.07	-11.96	0	322.405	1.783	3	5	8	COc1ccc(OC)c(NC(=O)CN[C@H]2CCC[C@@H]2CCO)c1
342594850	ZINC000590771110	ref	6.66	-12.4	0	255.321	1.981	1	3	4	N#Cc1ccc(NCC(=O)N2CC[C@@H]2C2CC2)cc1
214190427	ZINC000278495159	ref	2.25	-12.87	0	320.368	1.789	2	5	6	CC(C)(C)[C@H](NCc1nc(Cc2cccc(F)c2)no1)C(N)=O
365632369	ZINC000576584850	ref	4.42	-182.45	3	225.38	1.045	2	1	3	C[C@H]([NH3+])[C@H]1CCCN(C[C@H]2CCC[NH2+]C2)C1
365632374	ZINC000576584850	mid	4.9	-191.29	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1
214190429	ZINC000278495159	low	3.42	-46.54	1	320.368	1.789	2	4	6	CC(C)(C)[C@H]([NH2+]Cc1nc(Cc2cccc(F)c2)no1)C(N)=O
214190431	ZINC000278494127	ref	6.74	-50.47	1	316.42	3.421	2	2	7	Cc1nc(F)ccc1C[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO
230725450	ZINC000450376200	ref	6.9	-20.91	0	315.373	1.794	0	5	4	COc1ccc2c(c1OC)CCN(C(=O)Cn1ccc(C)n1)C2
230725454	ZINC000450372415	ref	4.94	-11.44	0	321.358	1.916	1	7	4	O=[N+]([O-])c1ccc(-c2csc(N3CCO[C@H](CO)C3)n2)cc1
365632375	ZINC000172882246	ref	3.58	-11.59	0	292.379	1.589	1	4	5	COC[C@@H]1CN(CC(=O)Nc2cccc(C)c2C)CCO1
365632381	ZINC000172885205	ref	3.41	-13.83	0	297.38	1.422	1	3	4	CN(C)S(=O)(=O)Nc1cccc(N2CCCCC2=O)c1
365632404	ZINC000172887413	ref	3.22	-8.71	0	286.335	1.565	2	5	5	Cc1ccccc1O[C@H](C)CNC(=O)c1nccnc1N
365632409	ZINC000172886745	ref	2.23	-7.91	0	256.733	1.582	0	4	4	COC[C@H]1CN(Cc2ccc(Cl)nc2)CCO1
365632413	ZINC000172883005	ref	2.25	-7.94	0	256.733	1.582	0	4	4	COC[C@H]1CN(Cc2ccnc(Cl)c2)CCO1
365632420	ZINC000172886455	ref	4.35	-9.27	0	295.77	1.835	0	5	4	COC[C@@H]1CN(Cc2cn3cc(Cl)ccc3n2)CCO1
178300229	ZINC000031943788	low	7.33	-23.27	1	202.301	3.477	1	0	0	Cc1cc2[nH]c(C(C)(C)C)[nH+]c2cc1C
178300232	ZINC000072416712	ref	6.22	-12.88	0	239.278	2.081	1	3	2	Cc1cc2n[nH]cc2c(=O)n1Cc1ccccc1
178300235	ZINC000001395025	ref	9.56	-11.38	0	249.317	3.193	0	3	1	Cc1cc2nc(-c3ccc4c(c3)CCC4)ccn2n1
178300241	ZINC000019130112	ref	4.62	-48.44	-1	226.239	1.805	0	4	1	Cc1cc2nc(-c3ccccn3)cc(=O)n2[n-]1
365632423	ZINC000172886455	low	5.11	-32.38	1	295.77	1.835	0	4	4	COC[C@@H]1CN(Cc2cn3cc(Cl)ccc3[nH+]2)CCO1
178300245	ZINC000019130112	low	4.74	-17.89	0	226.239	1.805	1	4	1	Cc1cc2nc(-c3ccccn3)cc(=O)n2[nH]1
178300248	ZINC000062533394	ref	6.56	-8.82	0	241.265	4.251	0	2	1	Cc1cc2nc(-c3cccc(F)c3)oc2cc1C
365632428	ZINC000172881465	ref	3.89	-6.08	0	265.353	1.932	0	4	6	CCOc1ccccc1CN1CCO[C@@H](COC)C1
365632435	ZINC000172881465	low	5.82	-33.06	1	265.353	1.932	1	3	6	CCOc1ccccc1C[N@@H+]1CCO[C@@H](COC)C1
365632438	ZINC000172881465	low	6.2	-34.65	1	265.353	1.932	1	3	6	CCOc1ccccc1C[N@H+]1CCO[C@@H](COC)C1
343993721	ZINC000079917743	ref	5.13	-6.63	0	253.264	2.403	1	2	5	C[C@H](C[C@@H]1CCCO1)NC(=O)CCC(F)(F)F
178300250	ZINC000359792319	ref	3.11	-15.51	0	242.286	1.612	2	5	3	Cc1cc2n[nH]cc2cc1NCc1cn(C)nn1
365632441	ZINC000172884132	ref	4.89	-8.83	0	279.336	1.077	0	5	6	COC[C@@H]1CN(CC(=O)OCc2ccccc2)CCO1
365632445	ZINC000172881459	ref	3.86	-5.91	0	265.353	1.932	0	4	6	CCOc1ccccc1CN1CCO[C@H](COC)C1
365632379	ZINC000576584850	mid	4.9	-191.29	3	225.38	1.045	3	0	3	C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1
187168776	ZINC000125091306	ref	8.78	-8.13	0	281.45	3.496	0	5	4	CSC[C@H](C)N(C)c1nc(C)nc2scc(C)c12
342594851	ZINC000590770295	ref	7.7	-11.45	0	299.334	1.819	2	6	4	C[C@H]1C[C@@H]1c1ccc(CNc2nc3c(cnn3C)c(=O)[nH]2)o1
365632385	ZINC000576584254	ref	4.76	-13.96	0	242.344	1.387	1	4	5	CCc1csc(=O)n1CC(=O)N[C@H](C)CC
365632388	ZINC000576584426	ref	1.16	-50.66	1	243.351	0.475	2	2	8	CN(CC(C)(C)C[NH3+])C(=O)CCCCC(N)=O
282122034	ZINC000332546450	ref	6.21	-17.25	0	321.331	2.31	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccc(F)c(F)c1C)CC2
282122042	ZINC000184067044	ref	5.6	-20.72	0	286.339	1.426	2	5	2	Cc1ccnc(NC(=O)N[C@@H]2CCc3nc(C)nn3C2)c1
282122056	ZINC000455843461	ref	4.47	-16.87	0	320.422	2.303	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)Nc1scnc1C(C)C)CC2
349534414	ZINC000602429415	ref	6.41	-5.07	0	245.363	1.932	0	4	9	CCCN(CC(=O)OC)C[C@@H](OC)[C@@H](C)CC
365632396	ZINC000576586037	ref	4.47	-8.62	0	248.326	1.937	1	3	6	COCC1(CCNC(=O)c2cncc(C)c2)CC1
342594852	ZINC000590770623	ref	5.01	-37.35	1	288.395	1.001	2	4	2	O[C@@H]1CCC[C@H]1[NH+]1CCN(c2cc3c(nn2)CCC3)CC1
365632402	ZINC000576584549	ref	3.93	-13.85	0	240.282	0.924	1	4	6	O=C(NCCCn1ccnn1)C1(CF)CCC1
365632410	ZINC000343888286	ref	6.23	-33.44	1	229.32	1.296	1	3	6	CCOC(=O)[C@@H](CC)[N@H+](C)C[C@@H]1CCOC1
230725499	ZINC000425424399	ref	5.1	-14.36	0	312.333	2.26	1	7	5	C=CCCn1cc(C(=O)Nc2ncnc3oc(C)c(C)c23)nn1
365632415	ZINC000343888286	mid	4.63	-4.56	0	229.32	1.296	1	3	6	CCOC(=O)[C@@H](CC)[N@@H+](C)C[C@@H]1CCOC1
365632419	ZINC000343888286	mid	4.63	-4.56	0	229.32	1.296	0	4	6	CCOC(=O)[C@@H](CC)N(C)C[C@@H]1CCOC1
187168777	ZINC000125085179	ref	7.9	-48.41	1	263.772	3.407	1	2	5	CCn1nccc1C[NH2+][C@H](C)c1cccc(Cl)c1
365632424	ZINC000576586568	ref	2.85	-44.24	1	246.314	1.419	3	2	4	C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2cc[nH]c2n1
342594853	ZINC000590770623	mid	2.79	-9.1	0	288.395	1.001	1	5	2	O[C@@H]1CCC[C@H]1N1CCN(c2cc3c(nn2)CCC3)CC1
365632431	ZINC000576584531	ref	2.09	-8.89	0	233.271	0.143	1	3	1	CNC(=O)C(=O)N1CC[C@H](c2cccnc2)C1
432002723	ZINC000129175349	ref	8.59	-13.53	0	306.793	3.169	1	3	6	CC(=O)C[C@H](C)NC(=O)CCn1ccc2cc(Cl)ccc21
342594854	ZINC000590770876	ref	6.85	-37.4	1	298.39	1.665	2	4	2	O[C@@H]1CCC[C@@H]1[NH+]1CCN(c2ncnc3ccccc23)CC1
342594855	ZINC000590770876	high	4.66	-7.43	0	298.39	1.665	1	5	2	O[C@@H]1CCC[C@@H]1N1CCN(c2ncnc3ccccc23)CC1
342594856	ZINC000590771122	ref	3.7	-13.6	0	273.373	1.633	2	4	9	COC(=O)CC(C)(C)CC(=O)N[C@H](C)CCCCO
365632393	ZINC000274349530	ref	3.46	-12.96	0	259.256	1.504	0	4	3	C[C@H]1CCN(C(=O)c2cc(OC(F)F)n(C)n2)C1
365632399	ZINC000274352383	ref	3.07	-10.22	0	250.302	1.556	2	4	3	CO[C@@H]1CCCC[C@@H]1NC(=O)Nc1cncnc1
349534415	ZINC000594967625	high	4.85	-6.59	0	286.466	2.911	1	5	8	COC1CC(CCNCc2ncc(CSC)s2)C1
342594857	ZINC000616962375	ref	3.09	-19.6	0	268.357	1.119	2	3	4	C[C@@H](OC1CCCCCC1)C(=O)N[C@@H]1CCNC1=O
342594858	ZINC000590771200	ref	1.14	-13.42	0	262.309	1.545	3	4	6	C[C@H](CCCCO)NC(=O)c1cc(O)cc(C#N)c1
342594859	ZINC000590771200	mid	1.9	-37.49	-1	262.309	1.545	2	4	6	C[C@H](CCCCO)NC(=O)c1cc([O-])cc(C#N)c1
137823026	ZINC000408015103	ref	4.36	-20.46	0	286.339	0.4	2	6	2	CNC(=O)C1CCN(c2ncnc3nc(N)ccc23)CC1
342594860	ZINC000590770607	ref	7.49	-13.69	0	261.329	1.43	2	6	5	CC(C)c1cc(NC[C@H](O)C2CC2)n2ncnc2n1
282122038	ZINC000449153294	ref	5.89	-37.18	1	298.408	2.228	2	4	8	CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-]
365632406	ZINC000274351085	ref	5.87	-12.4	0	273.34	1.958	2	4	5	C[C@@H](CCc1cccn1C)NC(=O)Nc1cncnc1
398248233	ZINC000182891414	ref	4.91	-11.53	0	243.372	1.306	1	2	6	C[C@H](C[S@](C)=O)NC(=O)C(C1CC1)C1CC1
365632411	ZINC000528817472	ref	5.76	-12.99	0	285.409	1.314	0	3	2	C[C@@H]1[C@@H](C(=O)N2CCS(=O)(=O)C(C)(C)C2)[C@@H]1C1CC1
282122046	ZINC000449153076	ref	5.91	-35.81	1	282.428	2.23	2	2	9	CCOCCC1(CNC(=O)[C@@H](C)[NH2+]C2CC2)CCCC1
365632418	ZINC000274350686	ref	3.79	-25.68	0	298.408	1.516	0	4	7	COc1cc(C)nc(C[S@](=O)CCCC(=O)N(C)C)c1
282122049	ZINC000449153076	high	4.86	-7.84	0	282.428	2.23	2	3	9	CCOCCC1(CNC(=O)[C@@H](C)NC2CC2)CCCC1
282122054	ZINC000449153031	ref	4.04	-41.34	1	255.402	2.188	2	2	4	C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@@H](O)C1CCOCC1
282122059	ZINC000449153127	ref	4.25	-34.62	1	281.396	2.208	2	3	10	COC[C@H](CCO)[NH2+]Cc1ccccc1OCC(C)C
168364668	ZINC000044461674	ref	0.81	-42.64	1	129.203	0.76	1	1	2	C[C@@H]([NH3+])C[C@@H]1CCOC1
212165513	ZINC000335489151	ref	3.15	-11.05	0	271.769	2.315	2	3	3	CSc1ccc(Cl)c(C(=O)N[C@@H]2CC[C@H]2O)c1
212165516	ZINC000335488654	ref	7.67	-18.45	0	267.275	2.104	0	2	3	O=C([C@H]1Cc2ccccc2O1)N1CC(CC(F)F)C1
212165518	ZINC000335488508	ref	6.62	-9.66	0	292.404	3.051	1	3	2	CSc1ccc(NC(=O)N2CC[C@@H]3OCC[C@@H]3C2)cc1
212165524	ZINC000335488699	ref	4.79	-13.18	0	283.372	0.674	1	3	2	CC(C)[C@H]1CN(C(=O)N[C@H]2CC(=O)N(C)C2)CCCO1
365632408	ZINC000625064979	ref	5.14	-12.56	0	301.358	2.321	0	2	4	O=S(=O)(CCc1c(F)cccc1F)N1C[C@@H]2CCC[C@H]21
342088099	ZINC000121214195	ref	7.91	-43.52	1	298.39	1.69	2	3	5	C[C@@]1(C(=O)NCc2cccc(Cn3ccnc3)c2)CCC[NH2+]1
342088100	ZINC000121214195	low	8.43	-97.64	2	298.39	1.69	2	2	5	C[C@@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC[NH2+]1
365632414	ZINC000625063222	ref	6.46	-42.21	1	316.405	2.212	1	5	6	COc1ccc([C@@H]2CCC[N@@H+]2CCc2cn(C)nn2)c(OC)c1
365632417	ZINC000625063222	mid	7.22	-41.83	1	316.405	2.212	1	5	6	COc1ccc([C@@H]2CCC[N@H+]2CCc2cn(C)nn2)c(OC)c1
342088101	ZINC000121330523	ref	6.21	-42.34	1	262.357	1.189	1	3	2	C[C@]1(C(=O)N2CCC(n3ccnc3)CC2)CCC[NH2+]1
342088102	ZINC000121330523	low	6.89	-82.04	2	262.357	1.189	1	2	2	C[C@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC[NH2+]1
342088103	ZINC000121208898	ref	4.19	-13.94	0	289.339	1.46	2	6	5	CCC[C@@](C)(O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1
342088104	ZINC000121275743	ref	6.99	-103.16	2	281.444	1.611	3	1	4	C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)C1
365632422	ZINC000625063222	high	4.13	-14.43	0	316.405	2.212	0	6	6	COc1ccc([C@@H]2CCCN2CCc2cn(C)nn2)c(OC)c1
365632425	ZINC000625066706	ref	6.96	-46.58	1	316.348	2.123	2	3	8	Cc1ccc([C@H](CNC(=O)COCC(F)F)[NH+]2CCCC2)o1
342088105	ZINC000121275743	mid	7.19	-104.31	2	281.444	1.611	3	1	4	C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)C1
299072157	ZINC000567662978	ref	8.18	-51.74	1	286.379	2.022	1	4	4	CO[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3nnc4ccccn34)C[C@@H]2C1
230725506	ZINC000414279864	ref	7.91	-42.95	1	318.461	3.424	2	2	6	Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)c(C)c1
365632429	ZINC000625066706	mid	4.54	-18.84	0	316.348	2.123	1	4	8	Cc1ccc([C@H](CNC(=O)COCC(F)F)N2CCCC2)o1
342088106	ZINC000121275743	high	4.81	-40.02	1	281.444	1.611	2	2	4	C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)C1
342088107	ZINC000121228474	ref	6.74	-97.01	2	281.444	1.613	3	1	5	C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@]2(C)CCC[NH2+]2)C1
365632432	ZINC000625063466	ref	7.47	-11.78	0	322.453	2.299	0	6	6	CC(C)Cn1c([C@@H]2CCO[C@H]2C)nnc1N(C)CC1(C)COC1
365632436	ZINC000625065018	ref	5.62	-15.33	0	315.373	2.474	1	5	4	CCn1cc(C(=O)N[C@H]2CCOc3c(OC)cccc32)c(C)n1
365632440	ZINC000625064277	ref	6.09	-10.29	0	301.358	2.369	1	2	6	O=S(=O)(CCc1c(F)cccc1F)NC1(C2CC2)CC1
343994927	ZINC000139422451	ref	3.17	-16.91	0	185.223	0.464	1	3	1	CC(C)(C)C(=O)N[C@H]1CCOC1=O
365632426	ZINC000336550050	ref	4.62	-14.12	0	263.337	2.118	1	3	3	COC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2O)C1
365632430	ZINC000336550050	high	5.53	-60.88	-1	263.337	2.118	0	3	3	COC[C@@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1
365632433	ZINC000336549339	ref	6.96	-22.45	0	291.416	2.158	0	2	1	C[C@H]1CCN(C(=O)c2ccc3c(c2)CCC3)CC[S@@]1=O
365632439	ZINC000336549390	ref	7.42	-37.85	1	274.339	2.472	2	2	3	Cn1cccc1C[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1
230725501	ZINC000450372604	ref	3.21	-22.39	0	324.393	1.352	1	3	4	CCNS(=O)(=O)[C@H]1CCN(C(=O)[C@H]2CCCCC2(F)F)C1
365632442	ZINC000336549390	mid	6.37	-35.52	1	274.339	2.472	2	2	3	Cn1cccc1C[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1
365632446	ZINC000336549390	mid	5.3	-5.78	0	274.339	2.472	1	3	3	Cn1cccc1CN1C[C@H](O)C[C@H]1c1cccc(F)c1
365632452	ZINC000336549543	ref	7.87	-11.59	0	282.384	2.112	0	3	2	COC(=O)[C@@H]1CCN(C(=O)N(C)C2CCCC2)C[C@@H]1C
365639087	ZINC000623071155	ref	2.76	-46.18	1	307.35	1.039	2	4	2	[NH3+]C[C@H]1CN(C(=O)Nc2ccc3c(c2)OCCO3)CCCO1
365639091	ZINC000623071296	ref	0.15	-68.27	1	320.393	1.309	2	4	3	COc1ccc(NC(=O)N2C[C@@H](C[NH3+])C3(CCOCC3)C2)cn1
342088108	ZINC000121263446	ref	3.34	-45.75	1	289.379	1.604	2	3	3	C[C@@]1(C(=O)Nc2cccc(N3CCOCC3)c2)CCC[NH2+]1
282122040	ZINC000192703465	mid	7.13	-9.21	0	337.468	2.808	1	7	8	CCC(CC)(CN[C@H](C)c1nnnn1C1CCCCC1)C(=O)OC
282122045	ZINC000263094538	ref	9.94	-35.67	0	267.413	3.436	1	2	7	CCC(CC)(C[NH2+][C@H]1CCCC[C@H]1C1CC1)C(=O)[O-]
282122050	ZINC000423041271	ref	5.22	-118.4	2	256.39	1.683	2	2	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C(=O)OC
365639094	ZINC000623071559	ref	2.35	-55.31	1	324.45	1.489	1	5	3	CC(C)c1nnc(C(=O)N2C[C@@H](C[NH3+])C3(CCOCC3)C2)s1
365639097	ZINC000623071990	ref	4.38	-48.79	1	308.382	1.155	2	4	2	Cc1cc(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)no1
365639106	ZINC000623071729	ref	3.99	-56.15	1	318.352	1.728	1	4	3	CCc1nc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)no1
230725538	ZINC000450377589	ref	3.5	-46.76	-1	312.333	1.706	0	7	3	COc1ccc(-c2noc(=N[C@@H]3CCCn4ncnc43)[n-]2)cc1
365639112	ZINC000623071112	ref	6.78	-16.33	0	302.321	1.612	0	4	8	CCCN(CC(F)F)C(=O)c1ccc(=O)n(CCOC)c1
349534416	ZINC000621233678	ref	6.94	-8.74	0	283.412	2.467	0	3	8	COCC1(CC(=O)N2CC[C@@H](OCCC(C)C)C2)CC1
282122052	ZINC000423041271	high	4.83	-41.29	1	256.39	1.683	2	3	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1CN)C(=O)OC
365632427	ZINC000274352570	ref	3.98	-18.91	0	295.408	1.343	2	5	4	O=C(NCCc1cn2c(n1)SCC2)C1(O)CCCCC1
342594861	ZINC000590770804	ref	2.45	-5.71	0	294.374	1.268	1	5	2	Cc1nc(C)c(F)c(N2CCN([C@H]3CCC[C@@H]3O)CC2)n1
365632434	ZINC000274349402	ref	3.45	-13.59	0	275.255	1.625	1	5	5	Cn1nc(C(=O)NOC2CCCC2)cc1OC(F)F
282122041	ZINC000151653189	ref	8.21	-11.41	0	304.434	2.454	0	3	6	CC[C@H](C)OCC(=O)N1CCN(Cc2cccc(C)c2)CC1
282122048	ZINC000151653189	mid	10.42	-50.22	1	304.434	2.454	1	2	6	CC[C@H](C)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1
342594862	ZINC000590770804	mid	4.63	-36.16	1	294.374	1.268	2	4	2	Cc1nc(C)c(F)c(N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)n1
342594863	ZINC000590770873	ref	6.75	-38.16	1	298.39	1.665	2	4	2	O[C@H]1CCC[C@H]1[NH+]1CCN(c2ncnc3ccccc23)CC1
342594864	ZINC000590770873	high	4.71	-7.94	0	298.39	1.665	1	5	2	O[C@H]1CCC[C@H]1N1CCN(c2ncnc3ccccc23)CC1
342594865	ZINC000590771121	ref	3.16	-14.0	0	271.357	1.243	2	4	6	COC(=O)CC(C)(C)CC(=O)N[C@H]1CC[C@@H](CO)C1
342594866	ZINC000616962462	ref	3.57	-19.06	0	266.366	1.384	2	3	5	Cc1ccc(CCCC(=O)N[C@@H]2CCNC2=O)s1
197591497	ZINC000290090192	ref	6.15	-53.32	1	289.379	1.308	1	3	4	O=C(COc1cccnc1)N1CCC([C@H]2CC[NH2+]C2)CC1
212165536	ZINC000335488235	ref	4.81	-14.54	0	280.368	0.618	1	3	2	C[C@@H](O)C(=O)N1CCN(C(=O)C2CC3(CCC3)C2)CC1
212165539	ZINC000335488771	ref	5.94	-49.97	-1	279.311	2.172	0	3	2	O=C(c1ccc(F)cc1[O-])N1CCO[C@H](C2CCC2)C1
212165542	ZINC000335488771	mid	5.03	-8.31	0	279.311	2.172	1	3	2	O=C(c1ccc(F)cc1O)N1CCO[C@H](C2CCC2)C1
212165546	ZINC000335488588	ref	5.96	-7.81	0	251.37	2.329	1	2	3	C[C@H](O)C[C@@H]1CCCN1C(=O)C1CC2(CCC2)C1
212165553	ZINC000335488531	ref	5.93	-16.2	0	292.383	2.326	1	4	3	CCn1cc(NC(=O)N2CCC[C@@H]2[C@H]2CCCOC2)cn1
212165562	ZINC000335488416	ref	3.08	-9.96	0	263.359	2.227	1	3	4	Cc1csc(S(=O)(=O)NC2(CF)CCC2)c1
212165565	ZINC000335488416	high	3.14	-44.88	-1	263.359	2.227	0	3	4	Cc1csc(S(=O)(=O)[N-]C2(CF)CCC2)c1
212165567	ZINC000335489128	ref	2.49	-11.09	0	251.298	0.968	1	3	2	O=C([C@H]1CCCSC1)N1CC(O)(C(F)F)C1
212165572	ZINC000335488290	ref	6.2	-13.71	0	262.313	0.481	0	4	2	CCC(=O)N1CCN(C(=O)c2cn3c(n2)CCC3)C1
212165576	ZINC000335488763	ref	6.32	-8.3	0	276.355	2.444	0	2	1	Cc1c(F)cccc1C(=O)N1CCN2CCCC[C@H]2C1
212165577	ZINC000335488763	mid	8.58	-43.25	1	276.355	2.444	1	1	1	Cc1c(F)cccc1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1
365632443	ZINC000576585236	ref	2.54	-92.96	2	243.376	0.297	3	3	5	O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CSCN1
365632448	ZINC000576585236	mid	2.54	-92.96	2	243.376	0.297	3	2	5	O=C(NCCC[C@@H]1CCC[NH2+]1)[C@@H]1CSC[NH2+]1
365632453	ZINC000576587270	ref	-2.09	-49.94	-1	242.231	-0.041	1	7	3	C[C@H](O)[C@@H]1CN(c2nc(C(=O)[O-])co2)CCO1
365632457	ZINC000576585483	ref	6.42	-9.59	0	249.358	2.603	1	3	6	CCn1ccc(C(=O)NCCCC2CCCC2)n1
365632464	ZINC000576585331	ref	4.23	-60.15	-1	238.243	-0.252	1	5	5	Cc1ccn(CC(=O)NCCC(=O)[O-])c(=O)c1
290622353	ZINC000492520527	ref	4.85	-11.22	0	266.385	2.01	2	2	3	CNC(=O)C1CCC(NC(=O)/C=C\C(C)(C)C)CC1
290622357	ZINC000492520196	ref	5.91	-39.92	1	288.391	2.254	3	2	6	C[C@H](CNC(=O)/C=C\c1cccc(O)c1)C[NH+]1CCCC1
342594867	ZINC000590770485	ref	12.95	-15.32	0	297.366	1.725	0	7	3	CCc1cc(N2CCC[C@@H](n3ccnc3)C2)n2ncnc2n1
342594868	ZINC000590770485	low	13.65	-49.77	1	297.366	1.725	0	6	3	CCc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)n2ncnc2n1
342594869	ZINC000590771267	ref	4.43	-8.13	0	299.374	1.822	1	4	4	N#Cc1ccc(N2CCC[C@@H]2C(=O)NC[C@H]2CCCO2)cc1
365632470	ZINC000576586926	ref	6.19	-48.83	-1	233.333	1.307	0	4	6	CC[C@H](SC)C(=O)N(C)C[C@H](C)C(=O)[O-]
365632476	ZINC000576584895	ref	8.51	-8.38	0	244.338	3.476	0	3	6	CC(C)c1cnn(CCCOc2ccccc2)c1
365632481	ZINC000576586245	ref	6.26	-9.14	0	247.338	2.542	1	2	6	COCC1(CCNC(=O)c2cccc(C)c2)CC1
342594870	ZINC000590770802	ref	3.0	-5.64	0	294.374	1.268	1	5	2	Cc1nc(C)c(F)c(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1
282122043	ZINC000248970775	ref	0.35	-9.65	0	310.398	1.888	3	5	4	C[C@H](NC(=O)NC[C@@H]1CC[C@@H](O)C1)c1nc(C(C)(C)C)no1
342594871	ZINC000590770802	mid	5.2	-33.54	1	294.374	1.268	2	4	2	Cc1nc(C)c(F)c(N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)n1
282122055	ZINC000248970336	ref	6.59	-40.7	1	310.438	1.657	0	4	3	CC[C@]1(C)CN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1
365632489	ZINC000576612639	ref	4.49	-9.37	0	221.304	1.635	2	2	4	C[C@@H]1C[C@H]1CNC(=O)NCC1(C#N)CCC1
365632499	ZINC000576585151	ref	5.3	-23.03	0	239.168	1.566	0	3	4	O=c1c(F)cccn1CCOCC(F)(F)F
365632505	ZINC000576585474	ref	6.41	-7.11	0	221.275	2.443	1	1	4	O=C(NCc1ccccc1)C1(CF)CCC1
282122060	ZINC000248970336	low	6.55	-40.76	1	310.438	1.657	1	3	3	CC[C@]1(C)C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1
282122065	ZINC000248970336	low	6.55	-40.76	1	310.438	1.657	1	3	3	CC[C@]1(C)C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCO1
282122069	ZINC000248970251	ref	4.82	-33.77	1	312.454	1.231	3	3	6	C[C@H](O)C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H](C)CO
365632444	ZINC000274351973	ref	7.19	-49.15	1	291.424	1.924	1	5	5	Cc1nn(C)cc1[C@@H](C)[NH2+]CCc1cn2c(n1)SCC2
365632451	ZINC000274351973	high	6.08	-15.37	0	291.424	1.924	1	6	5	Cc1nn(C)cc1[C@@H](C)NCCc1cn2c(n1)SCC2
214183658	ZINC000293556727	ref	2.75	-16.76	0	365.411	0.65	2	6	6	CNS(=O)(=O)c1cccc(CNC(=O)c2ccc(C(=O)OC)n2C)c1
214183663	ZINC000293556024	ref	3.91	-83.09	0	364.431	0.629	2	6	6	C[C@@H](CCCC[NH3+])NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2
349534417	ZINC000602429415	mid	7.58	-37.44	1	245.363	1.932	1	3	9	CCC[N@@H+](CC(=O)OC)C[C@@H](OC)[C@@H](C)CC
214183665	ZINC000293556985	ref	2.74	-19.63	0	373.409	0.659	2	5	5	NC(=O)COc1cccc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)c1
214183671	ZINC000293559366	ref	0.02	-16.21	0	353.448	0.84	0	7	4	Cc1nc(CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)oc1C
342088109	ZINC000121294315	ref	8.41	-52.82	1	286.379	1.454	2	3	6	Cn1cncc1CCNC(=O)c1ccc(C[NH+](C)C)cc1
214183676	ZINC000293565241	ref	9.15	-59.07	1	370.453	0.693	1	6	8	O=C(CCn1cnccc1=O)N[C@@H](Cc1ccccc1)CN1CCOCC1
342088110	ZINC000121294315	low	8.92	-85.21	2	286.379	1.454	2	2	6	Cn1c[nH+]cc1CCNC(=O)c1ccc(C[NH+](C)C)cc1
349534418	ZINC000602429415	mid	7.52	-35.56	1	245.363	1.932	1	3	9	CCC[N@H+](CC(=O)OC)C[C@@H](OC)[C@@H](C)CC
342088111	ZINC000121294315	high	5.93	-14.53	0	286.379	1.454	1	4	6	CN(C)Cc1ccc(C(=O)NCCc2cncn2C)cc1
214183678	ZINC000293565241	low	9.15	-59.07	1	370.453	0.693	2	5	8	O=C(CCn1cnccc1=O)N[C@@H](Cc1ccccc1)C[NH+]1CCOCC1
365632456	ZINC000274351777	ref	5.08	-42.92	1	275.352	1.218	0	3	2	Cc1cc(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc[nH+]1
214183682	ZINC000293566399	ref	4.88	-9.39	0	362.386	0.219	2	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2
349534421	ZINC000602430026	ref	4.19	-41.95	1	240.303	0.626	2	4	6	CC[N@H+](CCO)Cc1ccc(C(=O)OC)n1C
214183684	ZINC000293556911	ref	3.56	-14.76	0	363.37	0.755	2	6	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)OC)C2)c1
349534424	ZINC000602430026	mid	4.37	-43.63	1	240.303	0.626	2	4	6	CC[N@@H+](CCO)Cc1ccc(C(=O)OC)n1C
365632462	ZINC000353419211	ref	6.1	-11.98	0	277.368	1.523	0	4	4	Cn1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)n1
349534426	ZINC000602430026	mid	2.67	-7.41	0	240.303	0.626	1	5	6	CCN(CCO)Cc1ccc(C(=O)OC)n1C
349534428	ZINC000602429158	ref	7.06	-45.38	1	238.287	1.693	1	4	3	COC(=O)c1cc(C[N@@H+]2CCC[C@H](C)C2)on1
342594872	ZINC000616962503	ref	4.47	-17.68	0	274.364	1.531	2	2	4	CCc1ccc(C(C)(C)C(=O)N[C@@H]2CCNC2=O)cc1
365632447	ZINC000625066464	ref	2.82	-8.46	0	306.431	2.394	2	5	6	CN(Cc1nc2ccccc2s1)C[C@H](O)CC1(O)CCC1
365632449	ZINC000625066464	mid	5.3	-38.06	1	306.431	2.394	3	4	6	C[N@@H+](Cc1nc2ccccc2s1)C[C@H](O)CC1(O)CCC1
365632455	ZINC000625066464	mid	5.01	-40.18	1	306.431	2.394	3	4	6	C[N@H+](Cc1nc2ccccc2s1)C[C@H](O)CC1(O)CCC1
365632458	ZINC000625063743	ref	5.67	-10.24	0	311.385	2.324	2	3	6	Cc1ccccc1C[C@H](C)C(=O)NCC(=O)Nc1cccnc1
342594873	ZINC000590772448	ref	4.77	-9.83	0	295.346	1.905	1	5	4	C[C@@H](NC(=O)c1cc(C#N)cc(N(C)C)c1)c1cnccn1
365632460	ZINC000625065822	ref	3.31	-10.18	0	316.511	2.008	0	4	7	CCC[C@@H](C)CCCN1CCN([C@@H]2CCS(=O)(=O)C2)CC1
365632463	ZINC000625065822	low	5.73	-48.57	1	316.511	2.008	1	3	7	CCC[C@@H](C)CCC[NH+]1CCN([C@@H]2CCS(=O)(=O)C2)CC1
342594874	ZINC000590772229	ref	4.47	-13.65	0	251.351	1.952	1	2	4	C[C@H](NC(=O)c1cccc([S@](C)=O)c1)C1CC1
230725552	ZINC000414281325	ref	7.56	-16.13	0	321.486	3.33	1	2	6	Cc1ccc(CNC(=O)C[S@](=O)CC2(C)CCCCC2)cc1
365632465	ZINC000625067042	ref	7.26	-40.95	1	316.445	2.286	3	2	6	C[N@H+](CC(=O)NC1CC1)CC1(O)CCC(c2ccccc2)CC1
230725559	ZINC000414280881	ref	7.6	-35.24	1	317.404	3.267	2	2	8	CO[C@H](c1ccccc1)[C@@H](C)[NH2+]C[C@H](CO)c1ccc(F)cc1
230725563	ZINC000414280495	ref	8.86	-49.58	1	324.415	3.337	1	2	4	C[C@@H]1C[C@H](C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)[C@@H](C)O1
365632468	ZINC000625067042	mid	7.25	-40.92	1	316.445	2.286	3	2	6	C[N@@H+](CC(=O)NC1CC1)CC1(O)CCC(c2ccccc2)CC1
230725568	ZINC000414278865	ref	6.89	-17.81	0	313.438	3.188	1	2	8	CCCC[S@](=O)CC(=O)N[C@H](c1ccc(F)cc1)C(C)C
365632472	ZINC000625067042	mid	5.71	-9.82	0	316.445	2.286	2	3	6	CN(CC(=O)NC1CC1)CC1(O)CCC(c2ccccc2)CC1
178300254	ZINC000019237882	ref	4.96	-48.95	-1	240.266	2.114	0	4	1	Cc1cc2nc(-c3ncccc3C)cc(=O)n2[n-]1
342594875	ZINC000590771758	ref	5.09	-10.09	0	252.339	1.668	0	4	3	COc1ccnc(C(=O)N2CC[C@H](SC)C2)c1
342594876	ZINC000194336860	ref	3.98	-8.92	0	265.357	1.659	1	4	8	C=Cn1cc(C[NH2+]CCCOC2CCOCC2)cn1
365632475	ZINC000625065443	ref	6.07	-12.26	0	308.344	2.482	1	2	5	CCCC(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)C(F)(F)F)C1
343994929	ZINC000139455799	ref	4.27	-9.59	0	159.188	1.791	1	1	0	C/C=C1\NC(=O)c2ccccc21
365632450	ZINC000172881459	low	6.36	-35.19	1	265.353	1.932	1	3	6	CCOc1ccccc1C[N@@H+]1CCO[C@H](COC)C1
365632454	ZINC000172881459	low	6.16	-34.71	1	265.353	1.932	1	3	6	CCOc1ccccc1C[N@H+]1CCO[C@H](COC)C1
365632459	ZINC000172886303	ref	0.95	-22.04	0	285.365	1.118	2	4	5	Cc1ccc(NC(=O)CS(=O)(=O)[C@H](C)[C@H](C)O)cc1
365632461	ZINC000172887482	ref	2.6	-7.9	0	260.297	1.31	2	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1cn[nH]n1
365632466	ZINC000172887482	mid	2.66	-9.58	0	260.297	1.31	2	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1cnn[nH]1
365632469	ZINC000172887482	high	2.41	-38.08	-1	260.297	1.31	1	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1c[n-]nn1
137823028	ZINC000408016390	ref	2.3	-15.6	0	272.37	0.312	1	3	3	NS(=O)(=O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2C2CC2)C1
365632471	ZINC000172887482	high	2.48	-38.21	-1	260.297	1.31	1	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1cnn[n-]1
365632474	ZINC000172887482	high	2.58	-38.38	-1	260.297	1.31	1	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1cn[n-]n1
365632478	ZINC000643091760	ref	3.53	-41.01	1	295.408	1.377	1	3	3	O=S(=O)(c1ccccn1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1
365632482	ZINC000172884071	ref	3.84	-11.78	0	261.325	1.181	0	5	4	COC[C@@H]1CN(Cc2cn3ccccc3n2)CCO1
365632485	ZINC000172884071	low	4.6	-30.81	1	261.325	1.181	0	4	4	COC[C@@H]1CN(Cc2cn3ccccc3[nH+]2)CCO1
342088112	ZINC000121194066	ref	6.28	-18.7	0	283.416	1.931	1	2	3	CC(=O)N1CC[C@@H](CN(C)C(=O)N[C@H](C)C(C)(C)C)C1
365632488	ZINC000172887042	ref	6.23	-24.69	0	286.331	1.826	1	3	5	Cc1ccccc1O[C@H](C)CNC(=O)c1ccc[n+]([O-])c1
230725578	ZINC000450375106	ref	4.6	-19.69	0	316.317	1.588	2	6	5	NC(=O)[C@@H]1CC[C@H](CNc2nccc3c([N+](=O)[O-])cccc23)O1
365632492	ZINC000172884810	ref	1.23	-6.4	0	251.326	1.067	1	4	5	COC[C@@H]1CN(C[C@H](O)c2ccccc2)CCO1
342088113	ZINC000121195213	ref	5.93	-51.06	1	272.352	1.135	2	3	4	C[C@]1(C(=O)NCCc2cn3ccccc3n2)CCC[NH2+]1
342088114	ZINC000121195213	low	6.36	-88.3	2	272.352	1.135	2	2	4	C[C@]1(C(=O)NCCc2cn3ccccc3[nH+]2)CCC[NH2+]1
365632493	ZINC000172884810	mid	3.67	-41.4	1	251.326	1.067	2	3	5	COC[C@@H]1C[N@H+](C[C@H](O)c2ccccc2)CCO1
365632495	ZINC000172884810	mid	3.63	-41.21	1	251.326	1.067	2	3	5	COC[C@@H]1C[N@@H+](C[C@H](O)c2ccccc2)CCO1
342088115	ZINC000622702386	ref	2.63	-13.68	0	295.408	1.516	2	4	5	Cc1nc(CC(C)C)c(C(=O)NC[C@@H]2CNC(=O)C2)s1
342088116	ZINC000121245046	ref	4.7	-16.82	0	299.334	1.491	1	6	5	CCc1noc2ncc(C(=O)NCCc3cncn3C)cc12
187168778	ZINC000125085179	mid	6.72	-5.48	0	263.772	3.407	1	3	5	CCn1nccc1CN[C@H](C)c1cccc(Cl)c1
342088117	ZINC000121245046	low	5.21	-44.46	1	299.334	1.491	1	5	5	CCc1noc2ncc(C(=O)NCCc3c[nH+]cn3C)cc12
349534419	ZINC000594966626	ref	5.48	-53.81	1	279.396	2.844	1	1	3	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCC(F)(F)CC2)C1
365632467	ZINC000274352402	ref	3.32	-10.36	0	264.329	1.802	2	4	3	CC(C)[C@@H]1C[C@H](NC(=O)Nc2cncnc2)CCO1
365632473	ZINC000274351929	ref	2.82	-15.1	0	282.344	1.249	3	4	5	Cc1n[nH]cc1CNC(=O)NCCC(=O)OC(C)(C)C
365632479	ZINC000274351929	mid	2.77	-14.74	0	282.344	1.249	3	4	5	Cc1[nH]ncc1CNC(=O)NCCC(=O)OC(C)(C)C
365632483	ZINC000274351164	ref	6.15	-48.79	1	275.356	1.425	2	3	1	C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cncnc3)CC[C@H]21
365632486	ZINC000274351164	mid	6.35	-48.43	1	275.356	1.425	2	3	1	C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cncnc3)CC[C@H]21
197591506	ZINC000290088670	ref	5.83	-8.33	0	270.254	3.08	1	3	2	N#Cc1cccc(N[C@H]2CCO[C@@H](C(F)(F)F)C2)c1
365632491	ZINC000274352637	ref	-0.1	-9.33	0	274.267	1.226	2	4	6	CC(C)Oc1ccc(C(=O)NCC(F)(F)CO)cn1
365632497	ZINC000274349782	ref	2.81	-9.92	0	280.372	1.863	3	3	3	Cc1n[nH]cc1CNC(=O)N[C@H]1CC(C)(C)OC1(C)C
365632501	ZINC000274349782	mid	2.76	-9.62	0	280.372	1.863	3	3	3	Cc1[nH]ncc1CNC(=O)N[C@H]1CC(C)(C)OC1(C)C
365632508	ZINC000274351359	ref	2.75	-11.04	0	258.73	1.22	1	3	2	CNC(=O)C1CN(C(=O)c2ccc(Cl)s2)C1
365632512	ZINC000274349164	ref	7.1	-16.94	0	291.351	1.069	1	4	3	CCOC(=O)[C@H]1CCCN1C(=O)[C@H]1CCc2n[nH]cc2C1
365632516	ZINC000274352432	ref	6.78	-51.36	1	266.32	1.634	2	2	2	C[C@H]1CN(C(=O)Nc2cccc(F)n2)C[C@@H]1[NH+](C)C
230725601	ZINC000425427762	ref	6.45	-45.18	1	314.476	2.23	1	3	4	CN(C)S(=O)(=O)c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)s1
230725604	ZINC000425427762	mid	3.75	-8.32	0	314.476	2.23	0	4	4	CN(C)S(=O)(=O)c1ccc(CN2C[C@H]3CCC[C@@H]3C2)s1
365632521	ZINC000274351971	ref	7.22	-49.17	1	291.424	1.924	1	5	5	Cc1nn(C)cc1[C@H](C)[NH2+]CCc1cn2c(n1)SCC2
365632526	ZINC000274351971	high	5.98	-14.55	0	291.424	1.924	1	6	5	Cc1nn(C)cc1[C@H](C)NCCc1cn2c(n1)SCC2
365632532	ZINC000637719796	ref	6.76	-23.81	0	296.392	1.792	0	4	5	CCCCN(C(=O)[C@H]1CCCS1(=O)=O)c1ccccn1
342088118	ZINC000121210099	ref	3.02	-9.57	0	272.389	1.606	2	3	7	CCCCOCCNC(=O)N1CCC[C@H]([C@H](C)O)C1
342088119	ZINC000121227291	ref	6.3	-16.75	0	273.336	1.715	2	4	4	Cc1ccc(C(=O)NCCc2cncn2C)c(O)c1C
365632477	ZINC000625063812	ref	7.49	-13.34	0	312.369	2.479	1	3	6	C[C@@H](CC(=O)NCCN1C(=O)Cc2ccccc21)c1ccco1
365632480	ZINC000625063464	ref	7.6	-9.67	0	322.453	2.299	0	6	6	CC(C)Cn1c([C@H]2CCO[C@H]2C)nnc1N(C)CC1(C)COC1
365632484	ZINC000625067091	ref	3.5	-9.97	0	305.346	2.144	1	3	7	C=C(C)COCCNS(=O)(=O)c1ccc(C)c(F)c1F
365632487	ZINC000625067091	high	3.39	-49.98	-1	305.346	2.144	0	3	7	C=C(C)COCC[N-]S(=O)(=O)c1ccc(C)c(F)c1F
230725592	ZINC000414280883	ref	6.62	-48.89	1	317.404	3.267	2	2	8	CO[C@H](c1ccccc1)[C@H](C)[NH2+]C[C@@H](CO)c1ccc(F)cc1
282122051	ZINC000533468647	low	7.64	-34.23	1	271.299	1.959	2	3	5	Fc1cnc(NCCCc2[nH]c3ccccc3[nH+]2)nc1
178300257	ZINC000019237882	low	5.08	-18.11	0	240.266	2.114	1	4	1	Cc1cc2nc(-c3ncccc3C)cc(=O)n2[nH]1
282122057	ZINC000533469722	ref	2.15	-9.72	0	293.348	1.67	1	5	5	CCc1nc(CN(C)C(=O)c2ccc(C(N)=O)o2)cs1
349534420	ZINC000621236668	ref	5.87	-12.55	0	288.395	2.008	0	4	1	CC(C)(C)C(=O)N1CCc2nnc(N3CCCC3)cc2C1
178300261	ZINC000225332090	ref	4.22	-12.06	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@@H](C)C[C@H](C(F)F)N2
178300264	ZINC000071470038	ref	4.97	-43.23	-1	211.608	1.389	0	5	1	Cc1cc2nc(C(=O)[O-])cc(Cl)n2n1
212165729	ZINC000335488826	ref	7.25	-38.64	1	290.31	0.595	1	3	2	COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CC2(F)F)CC[N@H+](C)C1
212165733	ZINC000335488826	mid	6.91	-44.23	1	290.31	0.595	1	3	2	COC(=O)[C@@H]1CN(C(=O)[C@@]2(C)CC2(F)F)CC[N@@H+](C)C1
212165739	ZINC000335488826	mid	4.99	-9.44	0	290.31	0.595	0	4	2	COC(=O)[C@H]1CN(C)CCN(C(=O)[C@@]2(C)CC2(F)F)C1
212165741	ZINC000335488802	ref	7.03	-8.81	0	272.348	2.157	0	3	3	CC(=O)C1(C(=O)N2CCC[C@@H](c3ccncc3)C2)CC1
212165745	ZINC000335488167	ref	6.52	-37.74	1	262.372	3.105	1	1	3	CC[C@@H](c1ccc(F)cc1)N1CCC2(CC[NH2+]2)CC1
212165751	ZINC000335488167	mid	8.4	-110.95	2	262.372	3.105	2	0	3	CC[C@@H](c1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]2)CC1
212165754	ZINC000335488689	ref	7.46	-14.09	0	298.358	2.407	1	2	3	O=C(NCCc1ccc(F)c(F)c1)N1C[C@@H]2C[C@H]1CS2
212165768	ZINC000335489294	ref	6.92	-11.92	0	272.348	2.157	0	3	2	O=C1CC[C@@H](C(=O)N2CCC[C@H](c3ccncc3)C2)C1
212165772	ZINC000335489373	ref	4.38	-52.52	1	287.363	0.439	1	2	0	Cc1cccc2c1CN(C(=O)C(=O)N1CC[C@H]([NH3+])C1)CC2
212165776	ZINC000335488127	ref	6.22	-11.79	0	261.243	3.084	0	2	2	O=C(c1ccco1)N1CCC[C@@H](CC(F)(F)F)C1
212165783	ZINC000335489195	ref	3.38	-45.65	1	250.346	0.691	1	3	3	C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Cc1ccnn1C
342088120	ZINC000121227291	low	6.82	-41.26	1	273.336	1.715	2	3	4	Cc1ccc(C(=O)NCCc2c[nH+]cn2C)c(O)c1C
342088121	ZINC000121227291	high	7.3	-60.53	-1	273.336	1.715	1	4	4	Cc1ccc(C(=O)NCCc2cncn2C)c([O-])c1C
365632490	ZINC000625063467	ref	7.34	-10.83	0	322.453	2.299	0	6	6	CC(C)Cn1c([C@@H]2CCO[C@@H]2C)nnc1N(C)CC1(C)COC1
342088122	ZINC000069222307	ref	5.0	-41.54	1	251.374	1.737	2	3	6	Cc1cc(C)n(CC[N@@H+]2CCC[C@@H]2CCCO)n1
365632494	ZINC000625063477	ref	5.37	-11.87	0	306.41	2.095	0	4	1	Cc1nn(C)cc1[C@@H]1CCCN1C(=O)N1C[C@H](C)O[C@H](C)C1
365632496	ZINC000625064329	ref	4.34	-11.25	0	311.332	2.352	2	3	5	O=C(CC1CCC(F)(F)CC1)NCC(=O)Nc1cccnc1
365632500	ZINC000625065154	ref	6.53	-40.14	1	309.406	2.201	1	4	9	COc1ccc(OCC[N@H+](C)CCOC2CCOCC2)cc1
365632504	ZINC000625065154	mid	6.53	-39.74	1	309.406	2.201	1	4	9	COc1ccc(OCC[N@@H+](C)CCOC2CCOCC2)cc1
365632507	ZINC000625065154	high	4.15	-7.66	0	309.406	2.201	0	5	9	COc1ccc(OCCN(C)CCOC2CCOCC2)cc1
365632510	ZINC000625066294	ref	5.95	-11.2	0	309.369	2.248	2	3	5	Cc1cccc([C@@H]2C[C@H]2C(=O)NCC(=O)Nc2cccnc2)c1
365632513	ZINC000625063476	ref	5.32	-11.88	0	306.41	2.095	0	4	1	Cc1nn(C)cc1[C@H]1CCCN1C(=O)N1C[C@H](C)O[C@H](C)C1
365639089	ZINC000343905787	ref	5.2	-14.73	0	246.318	1.369	2	5	4	CCc1nc(C)cc(N[C@@H](C)c2nnc(C)[nH]2)n1
365639099	ZINC000343905787	mid	4.72	-10.28	0	246.318	1.369	2	5	4	CCc1nc(C)cc(N[C@@H](C)c2n[nH]c(C)n2)n1
365639102	ZINC000343905787	mid	5.71	-37.72	1	246.318	1.369	2	4	4	CCc1nc(N[C@@H](C)c2nnc(C)[nH]2)cc(C)[nH+]1
230744809	ZINC000425614453	ref	9.39	-19.48	0	306.341	2.002	1	4	4	CC(C)(C)n1[nH]cnc1=NC(=O)CCOc1ccc(F)cc1
365639107	ZINC000343905787	low	5.23	-30.78	1	246.318	1.369	2	4	4	CCc1nc(N[C@@H](C)c2n[nH]c(C)n2)cc(C)[nH+]1
365639111	ZINC000175990804	ref	6.71	-7.99	0	206.249	1.098	2	3	3	Cc1nc(NC(=O)[C@@H]2C[C@@H]2C2CC2)n[nH]1
230744818	ZINC000425610384	ref	3.71	-20.01	0	321.402	2.294	2	4	4	CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1
342088123	ZINC000069222307	mid	5.48	-38.51	1	251.374	1.737	2	3	6	Cc1cc(C)n(CC[N@H+]2CCC[C@@H]2CCCO)n1
365639115	ZINC000175990804	mid	7.21	-9.0	0	206.249	1.098	2	3	3	Cc1nnc(NC(=O)[C@@H]2C[C@@H]2C2CC2)[nH]1
342088124	ZINC000121242721	ref	7.0	-16.54	0	280.331	1.941	1	4	4	Cn1cncc1CCNC(=O)c1cncc2ccccc12
365639119	ZINC000175990804	low	6.71	-7.99	0	206.249	1.098	2	3	3	Cc1n[nH]c(NC(=O)[C@@H]2C[C@@H]2C2CC2)n1
349534422	ZINC000594967571	ref	9.33	-43.63	1	253.349	2.922	1	2	4	Cn1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1
365632498	ZINC000172884567	ref	5.09	-10.87	0	264.325	1.8	2	4	6	CCOC(=O)CNc1ccc(C(=O)NC(C)C)cc1
342594877	ZINC000194336860	high	3.98	-8.92	0	265.357	1.659	1	5	8	C=Cn1cc(CNCCCOC2CCOCC2)cn1
282122053	ZINC000151639208	ref	6.13	-9.68	0	300.349	2.308	2	2	6	CC(C)N(C[C@@H](C)O)C(=O)NCCc1cc(F)ccc1F
365632502	ZINC000172887879	ref	7.54	-40.62	1	293.407	1.983	1	3	9	COC[C@@H]1C[N@H+](CCCOCCc2ccccc2)CCO1
197591515	ZINC000290089492	ref	7.12	-11.11	0	290.294	2.466	0	5	4	COC(=O)[C@H]1CC[C@@H]1c1nc(Cc2ccccc2F)no1
230725602	ZINC000414280993	ref	8.56	-12.36	0	312.406	3.196	0	3	5	CCOC(=O)C1CCC([S@](=O)Cc2ccccc2F)CC1
230725605	ZINC000414279300	ref	7.78	-19.21	0	323.502	3.192	1	2	8	CCCC[S@@](=O)CC(=O)NCCc1ccc(C(C)(C)C)cc1
365632503	ZINC000172887879	mid	7.49	-40.68	1	293.407	1.983	1	3	9	COC[C@@H]1C[N@@H+](CCCOCCc2ccccc2)CCO1
230725612	ZINC000414278493	ref	7.99	-48.19	1	305.466	3.446	1	3	5	C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)C1CCCCCC1
365632506	ZINC000172887879	mid	5.12	-6.22	0	293.407	1.983	0	4	9	COC[C@@H]1CN(CCCOCCc2ccccc2)CCO1
230725617	ZINC000414278501	ref	8.75	-46.91	1	305.466	3.302	1	3	8	CC(C)CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1c1cnn(C)c1)C1CC1
342594878	ZINC000590772031	ref	1.4	-12.95	0	263.297	1.885	1	5	5	CCOc1nc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)co1
230725620	ZINC000414278344	ref	7.93	-14.32	0	313.507	3.353	0	2	4	CC1CCN(C(=O)[C@H](C)[S@](=O)CC2(C)CCCCC2)CC1
365632509	ZINC000643091735	ref	2.91	-48.26	1	297.424	1.395	2	2	8	CN(C1CC1)S(=O)(=O)N[C@@H](CCC[NH3+])c1ccccc1
365632514	ZINC000172882680	ref	2.74	-11.35	0	296.342	1.501	1	4	6	COC[C@H]1CN(CCC(=O)Nc2ccc(F)cc2)CCO1
365632517	ZINC000172882680	mid	4.58	-52.18	1	296.342	1.501	2	3	6	COC[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CCO1
365632519	ZINC000172882680	mid	5.02	-49.76	1	296.342	1.501	2	3	6	COC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CCO1
365632522	ZINC000172886522	ref	3.71	-8.75	0	257.28	1.812	0	3	4	COC[C@H]1CN(Cc2cccc(F)c2F)CCO1
365632525	ZINC000172886638	ref	4.99	-13.37	0	293.363	1.615	0	5	7	COC[C@@H]1CN(CCOc2ccccc2C(C)=O)CCO1
365632528	ZINC000172886638	low	7.31	-39.03	1	293.363	1.615	1	4	7	COC[C@@H]1C[N@H+](CCOc2ccccc2C(C)=O)CCO1
342594879	ZINC000616962578	ref	4.35	-17.49	0	260.337	1.431	2	2	4	CC(C)[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
214183660	ZINC000053464784	ref	5.22	-17.42	0	348.33	2.402	2	5	5	COC(=O)c1cc(CNC(=O)c2ccc(F)c(NC(C)=O)c2)oc1C
342088125	ZINC000121242721	low	7.51	-40.8	1	280.331	1.941	1	3	4	Cn1c[nH+]cc1CCNC(=O)c1cncc2ccccc12
190493314	ZINC000269428615	ref	-0.71	-9.66	0	267.325	0.105	3	4	8	C[C@@](O)(Cc1ccccc1)C(=O)NCCOCCO
214183662	ZINC000053453990	ref	6.15	-16.08	0	341.436	3.407	0	6	6	C[C@H](Cc1nnc(SCc2ccn(C)c(=O)c2)o1)c1ccccc1
342088126	ZINC000121230094	ref	4.78	-9.4	0	276.336	1.225	2	3	2	Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]2CO)c1
214183667	ZINC000053458234	ref	2.42	-21.1	0	334.397	2.355	2	5	6	COc1ccc([C@H](C)NC(=O)c2cc(C(N)=O)cs2)cc1OC
342088127	ZINC000121200126	ref	7.98	-15.23	0	276.34	1.434	1	4	5	Cn1ccnc(NC(=O)N(CC2CC2)CC2CC2)c1=O
214183669	ZINC000053450136	ref	6.36	-45.57	1	335.835	2.663	3	2	6	O=C(NCCCC[NH+]1CCOCC1)c1cc2ccc(Cl)cc2[nH]1
214183672	ZINC000053450136	mid	3.94	-9.62	0	335.835	2.663	2	3	6	O=C(NCCCCN1CCOCC1)c1cc2ccc(Cl)cc2[nH]1
214183674	ZINC000053454704	ref	6.81	-12.25	0	349.818	3.207	0	5	5	Cc1noc(C2CCN(C(=O)CCOc3ccccc3Cl)CC2)n1
365632511	ZINC000576626519	ref	6.62	-99.08	2	208.349	1.764	2	0	4	C1CC(C[NH2+][C@H]2CC[C@@H]2C2CC2)CC[NH2+]1
214183677	ZINC000053460836	ref	10.71	-11.41	0	345.345	3.423	0	3	3	O=C(Oc1cccc(F)c1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1
342088128	ZINC000121321942	ref	6.88	-17.09	0	286.335	1.352	1	5	7	C=CCOc1cccnc1C(=O)NCCc1cncn1C
342088129	ZINC000121321942	low	7.4	-39.61	1	286.335	1.352	1	4	7	C=CCOc1cccnc1C(=O)NCCc1c[nH+]cn1C
342088130	ZINC000121223751	ref	5.88	-16.76	0	277.299	1.54	1	4	5	COc1cc(C(=O)NCCc2cncn2C)ccc1F
342088131	ZINC000121223751	low	6.39	-43.57	1	277.299	1.54	1	3	5	COc1cc(C(=O)NCCc2c[nH+]cn2C)ccc1F
342088132	ZINC000121339276	ref	3.73	-8.83	0	250.302	1.047	1	4	4	C=CCN(C)C(=O)C(=O)Nc1cnn(C(C)C)c1
214183680	ZINC000053448771	ref	8.33	-10.79	0	326.466	2.111	1	5	6	CCCn1c(SCC(=O)N(C)[C@H]2CCCC[C@@H]2C)n[nH]c1=O
342088133	ZINC000609045778	ref	5.6	-15.61	0	291.263	1.072	1	5	5	O=C(CCN1C(=O)CCC1=O)Nc1ccccc1[N+](=O)[O-]
342088134	ZINC000121231358	ref	6.95	-92.05	2	281.444	1.757	3	1	6	C[C@@H]1CCC[N@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C1
342088135	ZINC000121231358	mid	6.97	-91.68	2	281.444	1.757	3	1	6	C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C1
365632515	ZINC000576584626	ref	4.25	-187.34	3	233.359	1.375	3	1	5	C[C@@H](NCc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]1
365632520	ZINC000576584626	low	4.25	-187.34	3	233.359	1.375	3	0	5	C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)[C@H]1CCC[NH2+]1
282122058	ZINC000263079015	ref	6.44	-42.7	0	297.317	2.577	1	3	6	CCC(CC)(C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)C(=O)[O-]
282122062	ZINC000263097891	ref	9.19	-36.59	0	253.386	3.046	1	2	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C1CC1)C(=O)[O-]
282122070	ZINC000274223782	ref	7.58	-48.24	1	293.411	2.723	1	4	7	CCC(CC)(C[NH2+][C@H](C)c1cnc(C)nc1C)C(=O)OC
282122076	ZINC000274223782	high	6.65	-7.39	0	293.411	2.723	1	5	7	CCC(CC)(CN[C@H](C)c1cnc(C)nc1C)C(=O)OC
282122083	ZINC000423035138	ref	6.88	-108.58	2	270.417	1.943	2	2	6	CCC(CC)(C[NH2+][C@H]1CC[NH2+]CC[C@H]1C)C(=O)OC
282122086	ZINC000423035138	high	5.67	-39.12	1	270.417	1.943	2	3	6	CCC(CC)(C[NH2+][C@H]1CCNCC[C@H]1C)C(=O)OC
187168781	ZINC000125086798	ref	7.89	-7.54	0	293.432	3.404	1	3	7	CC[C@@H](SC)C(=O)N[C@H](c1ccc(OC)cc1)C1CC1
282122090	ZINC000423035138	high	6.14	-41.86	1	270.417	1.943	2	3	6	CCC(CC)(CN[C@H]1CC[NH2+]CC[C@H]1C)C(=O)OC
178300269	ZINC000103281111	ref	3.53	-7.43	0	235.19	1.478	0	5	0	Cc1cc2nc(C(F)(F)F)sc(=O)n2n1
342088136	ZINC000622702387	ref	2.63	-13.73	0	295.408	1.516	2	4	5	Cc1nc(CC(C)C)c(C(=O)NC[C@H]2CNC(=O)C2)s1
342088137	ZINC000121209949	ref	5.16	-44.67	1	285.351	1.026	2	4	4	C[C@@]1(C(=O)NCc2ccnc(-n3cccn3)c2)CCC[NH2+]1
178300272	ZINC000057330148	ref	6.42	-7.43	0	219.248	0.326	1	5	1	Cc1cc2n[nH]c(=O)n2c(N2CCCC2)n1
282122115	ZINC000183875881	ref	9.17	-42.33	1	317.433	3.203	1	4	7	CCC(CC)(C[NH2+][C@H](C)c1nc2ccccc2n1C)C(=O)OC
230744807	ZINC000414374774	ref	7.26	-11.08	0	323.462	3.474	1	4	4	CCc1nc(N2C(=O)N[C@H](CC(C)C)C2=O)sc1C(C)(C)C
178300275	ZINC000057345957	ref	5.79	-6.52	0	205.221	0.3	2	5	2	Cc1cc2n[nH]c(=O)n2c(NC2CC2)n1
187168782	ZINC000125084466	ref	7.13	-12.35	0	265.378	2.872	1	3	5	C[C@@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CC1(C)C
178300282	ZINC000004291310	ref	4.34	-8.22	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@H](C(F)F)C[C@@H](C)N2
282122132	ZINC000183875881	high	8.08	-9.28	0	317.433	3.203	1	5	7	CCC(CC)(CN[C@H](C)c1nc2ccccc2n1C)C(=O)OC
342088138	ZINC000121231121	ref	6.95	-92.48	2	281.444	1.757	3	1	6	CC1CC[NH+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)CC1
342088139	ZINC000121169526	ref	3.31	-12.13	0	287.319	1.09	3	3	2	O=C(Nc1cccc2[nH]ccc12)C(=O)N1CCC[C@@H]1CO
342088140	ZINC000121199718	ref	6.46	-12.81	0	267.292	1.667	1	5	3	CN(C)c1cccc(NC(=O)c2ccc(C#N)cn2)n1
342088141	ZINC000312559130	ref	3.73	-49.86	-1	298.261	1.26	2	4	5	O=C(NC[C@@H]1CCCCO1)N[C@H](CC(F)(F)F)C(=O)[O-]
349534423	ZINC000621239903	ref	3.66	-10.67	0	295.383	2.335	2	3	7	CCCCN(C(=O)[C@@H](C)NC(N)=O)[C@H](C)c1ccc(C)o1
342088142	ZINC000121208730	ref	4.23	-13.78	0	289.339	1.46	2	6	5	CCC[C@](C)(O)C(=O)Nc1ccc(-n2cnnn2)c(C)c1
342088143	ZINC000121209797	ref	3.09	-9.29	0	272.389	1.606	2	3	7	CCCCOCCNC(=O)N1CCC[C@H]([C@@H](C)O)C1
349534427	ZINC000621229579	ref	4.42	-23.69	0	297.358	2.479	2	2	5	C[C@H](c1ccccc1)N(C(=O)c1c[nH]c(C(N)=O)c1)C1CC1
342088144	ZINC000121210293	ref	3.13	-9.34	0	272.389	1.606	2	3	7	CCCCOCCNC(=O)N1CCC[C@@H]([C@H](C)O)C1
214183661	ZINC000278482790	ref	7.16	-10.41	0	316.401	1.838	0	3	1	COc1cccc2c1CCN(C(=O)C(=O)N1CCC[C@H](C)C1)C2
214183664	ZINC000278484385	ref	6.17	-7.86	0	314.288	2.228	1	4	4	C[C@@H]1COCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1
342088145	ZINC000034079878	ref	3.03	-16.46	0	273.31	1.0	1	5	6	CCOC(=O)COc1ccc(NS(C)(=O)=O)cc1
342088146	ZINC000121160668	ref	3.2	-9.92	0	278.356	1.228	1	5	5	CCCNC(=O)C1CCN(c2cc(OC)ncn2)CC1
342088147	ZINC000621363029	ref	4.91	-33.29	1	282.428	1.632	3	2	4	CC1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)CC1
214183666	ZINC000278484455	ref	7.25	-46.92	1	303.406	2.404	2	2	2	C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1
342088148	ZINC000621363029	mid	5.37	-35.81	1	282.428	1.632	3	2	4	CC1CCC(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](CO)C2)CC1
214183668	ZINC000278484455	mid	7.47	-46.78	1	303.406	2.404	2	2	2	C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1
342088149	ZINC000621363029	mid	3.19	-8.38	0	282.428	1.632	2	3	4	CC1CCC(NC(=O)CN2CC[C@H](C)[C@@H](CO)C2)CC1
259309350	ZINC000323021966	ref	4.95	-34.94	1	225.336	1.886	1	3	6	CC[C@@](C)(C[NH2+][C@H](C)c1nccn1C)OC
349534429	ZINC000621241068	ref	6.76	-45.15	-1	263.293	2.14	1	4	7	O=C(CCOCC1CC1)Nc1ccccc1C(=O)[O-]
342088150	ZINC000121234141	ref	7.46	-96.74	2	293.455	1.943	3	1	9	C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C
178300291	ZINC000082795272	ref	2.96	-6.46	0	271.162	2.098	1	4	4	CN[C@](C)(C#N)C[C@H](C)n1cc(Br)cn1
349534431	ZINC000621230675	ref	4.38	-8.4	0	296.333	2.242	2	2	6	CC(=O)N[C@@H](C(=O)NCC(C)(C)CC(F)(F)F)C(C)C
178300292	ZINC000082795272	low	4.26	-48.88	1	271.162	2.098	1	3	4	C[NH2+][C@](C)(C#N)C[C@H](C)n1cc(Br)cn1
342088151	ZINC000121234141	high	5.64	-42.83	1	293.455	1.943	2	2	9	C=CCN(CC=C)[C@@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C
349534433	ZINC000621230816	ref	6.62	-9.06	0	294.37	2.477	1	2	6	CCC(=O)N[C@@H](C)C(=O)N(Cc1ccc(F)cc1)C(C)C
365632518	ZINC000122931776	ref	7.08	-36.54	1	286.485	2.313	1	3	6	CCSCC[N@@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1
365632524	ZINC000122931776	mid	7.39	-36.08	1	286.485	2.313	1	3	6	CCSCC[N@H+]1CCC[C@@H]1CN1C[C@H](C)O[C@H](C)C1
199272995	ZINC000181264566	ref	3.74	-13.19	0	303.387	2.717	2	4	2	Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[C@@H](O)C1
323004458	ZINC000150975299	ref	6.18	-16.1	0	242.348	0.887	1	4	6	CSCCN(C)C(=O)NCCn1ccnc1
365632529	ZINC000122832797	ref	5.13	-10.94	0	298.364	2.235	0	5	3	C[C@@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1
365632539	ZINC000122836288	ref	4.25	-9.7	0	255.358	2.041	1	3	7	C=CCOCCCC(=O)NC1C[C@H](C)O[C@@H](C)C1
365632551	ZINC000122937469	ref	5.18	-11.0	0	294.399	2.444	2	4	5	CCC1(CC)[C@H](NC(=O)Nc2cc(C)n(C)n2)C[C@H]1OC
365632557	ZINC000122829784	ref	6.53	-9.87	0	280.343	2.424	0	3	3	CCO[C@H](C)C(=O)N1CCCN(C)c2ccc(F)cc21
365632562	ZINC000122889788	ref	7.78	-15.11	0	296.378	2.078	0	6	3	Cc1nc(C)n(C[C@@H]2CCCN(c3cccc(C#N)n3)C2)n1
342594880	ZINC000590772418	ref	5.56	-19.21	0	296.33	1.993	1	5	5	C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cnccn1
365632567	ZINC000122813941	ref	5.0	-40.84	1	268.788	2.233	2	2	4	C[C@@H](O)CC[NH+]1CCN(c2ccc(Cl)cc2)CC1
365632570	ZINC000122813941	high	2.6	-4.12	0	268.788	2.233	1	3	4	C[C@@H](O)CCN1CCN(c2ccc(Cl)cc2)CC1
365632572	ZINC000122826918	ref	4.78	-10.28	0	295.42	2.201	0	3	8	CCC1(CC)[C@@H](N(C)S(=O)(=O)CCCF)C[C@H]1OC
342594881	ZINC000364812235	ref	3.53	-19.54	0	266.341	1.69	1	3	3	C=C(C)C[C@@H](C)C(=O)N1CCC[C@]2(CNC(=O)O2)C1
342594882	ZINC000590771831	ref	5.92	-8.99	0	253.371	1.789	0	4	3	CCn1nc(C)cc1C(=O)N1CC[C@@H](SC)C1
365632578	ZINC000122819005	ref	6.03	-10.6	0	251.351	2.316	0	2	3	O=S(=O)(C1CC1)N1CCC[C@H]1c1ccccc1
365632582	ZINC000122902321	ref	6.8	-13.43	0	285.351	2.058	1	5	3	Cn1nccc1NC(=O)c1cccnc1N1CCCCC1
365632587	ZINC000122819720	ref	5.61	-16.58	0	292.36	2.341	0	4	4	O=S(=O)(Cc1ccon1)N1CCC[C@@H]1c1ccccc1
365632588	ZINC000122890007	ref	7.64	-14.45	0	296.378	2.078	0	6	3	Cc1nc(C)n(C[C@H]2CCCN(c3cccc(C#N)n3)C2)n1
136229103	ZINC000184908227	ref	5.75	-10.99	0	232.327	2.343	1	2	6	C=C(C)C[C@@H](C)C(=O)NCCc1ccccn1
365632589	ZINC000122792078	ref	4.49	-16.57	0	291.395	2.209	3	2	6	CCNC(=O)C(C)(C)CNC(=O)N[C@H](C)c1ccccc1
365639098	ZINC000274369827	high	0.35	-8.88	0	287.31	1.401	3	3	7	CCN(CCO)CCNC(=O)Nc1cccc(F)c1F
214183670	ZINC000278484455	high	4.92	-8.13	0	303.406	2.404	1	3	2	C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1
282122061	ZINC000533467959	ref	9.5	-12.05	0	289.383	1.845	1	6	3	CC(C)c1cc(N2CCC[C@@H]([C@@H](C)O)C2)n2ncnc2n1
282122067	ZINC000533467975	ref	5.7	-11.07	0	261.329	1.03	1	6	2	Cc1nnc2c(N3CCC[C@H]([C@H](C)O)C3)nccn12
214183673	ZINC000278484166	ref	6.56	-7.74	0	323.824	2.49	1	4	3	C[C@H]1COCC[C@H]1NC(=O)c1cc(Cl)nc(N2CCCC2)c1
343994930	ZINC000599274937	ref	6.3	-41.65	1	264.316	1.212	1	3	7	COC(=O)CCCC[NH+]1CCN(CC(F)F)CC1
197591525	ZINC000162777957	ref	1.13	-11.59	0	321.345	1.727	2	4	6	O=S(=O)(NC[C@@H]1CCC[C@@H]1O)c1ccccc1OC(F)F
214183675	ZINC000278484182	ref	2.14	-9.1	0	310.341	2.89	2	4	5	CCC[C@](C)(O)C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1
214183679	ZINC000278483459	ref	0.81	-11.98	0	319.81	1.714	2	4	6	C[C@@H]1Cc2cc(S(=O)(=O)NCCCCO)cc(Cl)c2O1
214183681	ZINC000278484510	ref	6.99	-11.04	0	303.402	3.186	1	3	5	CC(C)=CCOc1cccc(C(=O)N[C@@H]2CCOC[C@H]2C)c1
282122071	ZINC000533468768	ref	8.89	-6.46	0	255.293	1.784	0	5	4	CN(CCC(=O)OC(C)(C)C)c1ncc(F)cn1
342088152	ZINC000121330713	ref	6.27	-42.22	1	262.357	1.189	1	3	2	C[C@@]1(C(=O)N2CCC(n3ccnc3)CC2)CCC[NH2+]1
342088153	ZINC000121330713	low	6.95	-81.39	2	262.357	1.189	1	2	2	C[C@@]1(C(=O)N2CCC(n3cc[nH+]c3)CC2)CCC[NH2+]1
214183691	ZINC000278483616	ref	6.38	-43.0	1	306.258	3.37	2	2	5	O[C@@H](C[NH2+]C[C@H]1CCSC1)c1c(Cl)cccc1Cl
282122077	ZINC000533469824	ref	3.78	-8.54	0	296.411	1.89	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)C1
342088154	ZINC000121233712	ref	7.34	-95.71	2	293.455	1.943	3	1	9	C=CC[NH+](CC=C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C
282122080	ZINC000533468712	ref	6.0	-18.96	0	280.335	1.584	1	6	3	c1cn2c(n1)[C@@H](CNc1ccc3nccnc3n1)CCC2
214183695	ZINC000278483941	ref	4.05	-14.36	0	323.443	2.323	1	6	6	Cc1cccc(S(=O)(=O)CCCSc2nccnc2N)c1
214183698	ZINC000278483240	ref	9.27	-10.19	0	308.389	2.38	2	6	5	Cn1ncc2c(N)nc(NCC3(Cc4ccccc4)CC3)nc21
342088155	ZINC000121233712	high	4.62	-37.37	1	293.455	1.943	2	2	9	C=CCN(CC=C)[C@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C
342088156	ZINC000127165686	ref	3.68	-10.69	0	267.304	1.274	2	2	4	CNC(=O)NCC(=O)N(C)[C@H](C)c1ccc(F)cc1
342088157	ZINC000121331764	ref	7.75	-15.13	0	257.337	1.882	1	3	5	C[C@H](C(=O)NCCc1cncn1C)c1ccccc1
342088158	ZINC000121331764	low	8.26	-39.8	1	257.337	1.882	1	2	5	C[C@H](C(=O)NCCc1c[nH+]cn1C)c1ccccc1
178300289	ZINC000083411250	ref	2.96	-7.54	0	212.05	2.029	1	2	0	Cc1cc2nc(Br)cnc2[nH]1
349534425	ZINC000594967571	high	8.26	-6.32	0	253.349	2.922	1	3	4	Cn1ccc(CNC(C)(C)c2cccc(C#N)c2)c1
398248234	ZINC000650870555	ref	3.34	-9.06	0	256.346	1.232	1	3	3	CC[C@H]1CN(C(=O)NCC2(C)COC2)[C@@H](C)CO1
190493320	ZINC000269425492	ref	6.75	-11.99	0	282.384	3.399	2	2	3	Cc1cc(F)cc(NC(=O)NCC2CCSCC2)c1
365632523	ZINC000576584774	ref	6.43	-35.44	1	234.387	2.581	2	0	7	C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1
365632527	ZINC000576584774	high	6.43	-35.44	1	234.387	2.581	2	1	7	C[C@H](N)C[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1
398248239	ZINC000650869272	ref	6.84	-43.88	1	285.432	1.927	2	2	7	CCCC[N@H+](C)CCNC(=O)N1C[C@@H](CC)OC[C@H]1C
398248242	ZINC000650869272	mid	6.84	-43.94	1	285.432	1.927	2	2	7	CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](CC)OC[C@H]1C
398248244	ZINC000650869272	high	4.52	-8.39	0	285.432	1.927	1	3	7	CCCCN(C)CCNC(=O)N1C[C@@H](CC)OC[C@H]1C
398248247	ZINC000650869691	ref	1.64	-10.64	0	286.351	1.545	3	4	7	CC(C)n1cc([C@@H](C)NC(=O)N[C@H](CO)CCF)cn1
365632531	ZINC000576584763	ref	7.09	-32.48	1	234.387	2.581	2	0	7	C[C@H]([NH3+])C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1
365632534	ZINC000576584763	high	7.09	-32.48	1	234.387	2.581	2	1	7	C[C@H](N)C[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1
365632537	ZINC000576586569	ref	2.85	-44.19	1	246.314	1.419	3	2	4	C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2cc[nH]c2n1
365632541	ZINC000576584832	ref	8.84	-14.01	0	245.297	2.961	0	2	2	Cc1cc(C)c(Cn2cccc(F)c2=O)c(C)c1
178300309	ZINC000359820765	ref	5.76	-12.38	0	241.298	2.217	2	4	3	Cc1cc2n[nH]cc2cc1NCc1cncn1C
178300319	ZINC000359820765	low	6.27	-41.88	1	241.298	2.217	2	3	3	Cc1cc2n[nH]cc2cc1NCc1c[nH+]cn1C
365632544	ZINC000576626521	ref	6.94	-98.44	2	208.349	1.764	2	0	4	C1CC(C[NH2+][C@H]2CC[C@H]2C2CC2)CC[NH2+]1
349535946	ZINC000594970285	ref	6.98	-40.11	1	297.439	2.638	2	3	5	C[C@@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1(CO)CC1
349535952	ZINC000594973438	ref	7.91	-44.71	1	285.428	2.759	1	3	7	COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@H]1C
365632548	ZINC000576585593	ref	3.64	-9.23	0	238.287	1.416	1	4	6	COCC1(CC(=O)NCc2cc(C)on2)CC1
178300321	ZINC000008582887	ref	2.41	-37.14	-1	218.138	1.157	0	4	0	Cc1cc2nc(C(F)(F)F)nc(=O)n2[n-]1
398248253	ZINC000650870549	ref	5.68	-22.25	0	285.294	1.289	1	3	3	O=C(NCCn1ccccc1=O)N1CCCC(F)(F)C1
365639100	ZINC000354712818	mid	6.75	-34.08	1	288.439	1.995	1	3	2	Cc1ccnc(N2CC[N@H+](C3CCN(C)CC3)[C@H](C)C2)c1
365639103	ZINC000354712818	mid	6.38	-33.24	1	288.439	1.995	1	3	2	Cc1ccnc(N2CC[N@@H+](C3CCN(C)CC3)[C@H](C)C2)c1
214183683	ZINC000053447301	ref	3.53	-26.78	0	338.429	1.647	2	4	7	CCS(=O)(=O)CC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1
342088159	ZINC000121223591	ref	7.25	-13.03	0	261.3	1.84	1	3	4	Cc1cc(F)cc(C(=O)NCCc2cncn2C)c1
282122063	ZINC000449153127	high	2.8	-7.72	0	281.396	2.208	2	4	10	COC[C@H](CCO)NCc1ccccc1OCC(C)C
398248235	ZINC000336779480	ref	4.94	-41.09	1	227.348	1.96	1	2	5	C[C@H]1OCC[C@H]1[NH2+]CCCC1CCOCC1
214183690	ZINC000053445746	ref	2.12	-22.44	0	331.397	2.296	3	4	5	CC(=O)Nc1cccc([C@@H](C)NC(=O)c2cc(C(N)=O)cs2)c1
214183692	ZINC000053450246	ref	7.62	-49.66	1	341.455	2.694	2	3	6	Cc1ccc2cc(C(=O)NCCCC[NH+]3CCOCC3)c(C)nc2c1
214183694	ZINC000053450246	mid	5.22	-12.87	0	341.455	2.694	1	4	6	Cc1ccc2cc(C(=O)NCCCCN3CCOCC3)c(C)nc2c1
214183697	ZINC000053459926	ref	3.92	-23.28	0	343.358	2.074	3	3	5	CNC(=O)c1cccc(CNC(=O)c2ccc(F)c(NC(C)=O)c2)c1
214183699	ZINC000053452339	ref	8.37	-14.03	0	341.461	4.644	1	5	5	C[C@@H](Sc1nncs1)c1cccc(NC(=O)c2ccccc2)c1
342088160	ZINC000121223591	low	7.76	-38.34	1	261.3	1.84	1	2	4	Cc1cc(F)cc(C(=O)NCCc2c[nH+]cn2C)c1
342088161	ZINC000121244052	ref	7.85	-14.18	0	288.307	1.609	1	5	5	Cc1cc(C(=O)NCCc2cncn2C)cc([N+](=O)[O-])c1
259309351	ZINC000323021966	mid	3.91	-7.24	0	225.336	1.886	1	4	6	CC[C@@](C)(CN[C@H](C)c1nccn1C)OC
342088162	ZINC000121244052	low	8.36	-40.45	1	288.307	1.609	1	4	5	Cc1cc(C(=O)NCCc2c[nH+]cn2C)cc([N+](=O)[O-])c1
342088163	ZINC000127165493	ref	2.97	-11.46	0	267.304	1.274	2	2	4	CNC(=O)NCC(=O)N(C)[C@@H](C)c1ccc(F)cc1
342088164	ZINC000090067823	ref	2.93	-15.35	0	261.325	1.351	2	4	6	C[C@H](Nc1ccc(CO)cc1)C(=O)N(C)CCC#N
342088165	ZINC000600314823	ref	7.26	-45.79	1	251.374	1.918	2	2	6	C[N@@H+]1CCCC[C@H](CNC(=O)CCCCC#N)C1
342088166	ZINC000600314823	mid	7.34	-44.85	1	251.374	1.918	2	2	6	C[N@H+]1CCCC[C@H](CNC(=O)CCCCC#N)C1
342088167	ZINC000127175710	ref	7.52	-41.53	1	285.351	1.542	2	4	4	O=C(Nc1ccnc2ccnn12)[C@H](C1CC1)[NH+]1CCCC1
342088168	ZINC000127175710	mid	5.15	-8.85	0	285.351	1.542	1	5	4	O=C(Nc1ccnc2ccnn12)[C@H](C1CC1)N1CCCC1
342088169	ZINC000121320424	ref	4.04	-14.82	0	294.38	1.304	1	6	6	COCc1nc(C)c(C(=O)NCCc2cncn2C)s1
342088170	ZINC000121320424	low	4.55	-40.95	1	294.38	1.304	1	5	6	COCc1nc(C)c(C(=O)NCCc2c[nH+]cn2C)s1
365632530	ZINC000172886638	low	7.25	-38.85	1	293.363	1.615	1	4	7	COC[C@@H]1C[N@@H+](CCOc2ccccc2C(C)=O)CCO1
230725658	ZINC000450384096	ref	3.97	-14.96	0	304.35	1.837	1	6	8	CCCCN(CC(N)=O)c1nc(-c2ccc(OC)cc2)no1
343994931	ZINC000114416409	mid	8.97	-27.4	1	200.285	2.88	0	1	2	Cc1cccc([C@@H](C)c2[nH+]ccn2C)c1
365632533	ZINC000172883823	ref	2.74	-9.96	0	292.379	1.038	1	4	6	COC[C@@H]1CN([C@H](C)C(=O)NCc2ccccc2)CCO1
342088171	ZINC000121274043	ref	6.62	-101.82	2	267.417	1.365	3	1	4	C[C@@H]1CCC[N@@H+](C[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)C1
365632535	ZINC000172883823	low	4.84	-38.91	1	292.379	1.038	2	3	6	COC[C@@H]1C[N@@H+]([C@H](C)C(=O)NCc2ccccc2)CCO1
365632538	ZINC000172883823	low	4.89	-38.51	1	292.379	1.038	2	3	6	COC[C@@H]1C[N@H+]([C@H](C)C(=O)NCc2ccccc2)CCO1
365632540	ZINC000172886009	ref	2.87	-11.55	0	278.352	1.281	1	4	5	COC[C@@H]1CN(CC(=O)Nc2ccc(C)cc2)CCO1
365632545	ZINC000172885410	ref	4.48	-10.25	0	287.363	1.719	0	5	5	COC[C@@H]1CN(Cc2ccn(-c3ccccc3)n2)CCO1
282122064	ZINC000151662282	ref	4.55	-7.53	0	307.39	2.033	1	4	6	COC[C@@H](NC(=O)[C@H]1COc2ccc(OC)cc2C1)C(C)C
282122073	ZINC000151662367	ref	4.55	-7.79	0	307.39	2.033	1	4	6	COC[C@H](NC(=O)[C@H]1COc2ccc(OC)cc2C1)C(C)C
365632547	ZINC000643091757	ref	2.77	-41.78	1	295.408	1.377	1	3	3	O=S(=O)(c1ccccn1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1
365632550	ZINC000172882208	ref	0.81	-12.73	0	299.758	1.28	3	3	6	C[C@@H](CNC(=O)[C@@H](C)NC(N)=O)Oc1ccccc1Cl
365632553	ZINC000172882673	ref	2.59	-11.68	0	296.342	1.501	1	4	6	COC[C@@H]1CN(CCC(=O)Nc2ccc(F)cc2)CCO1
365632555	ZINC000172882673	mid	5.01	-49.8	1	296.342	1.501	2	3	6	COC[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CCO1
365632556	ZINC000172882673	mid	4.96	-49.71	1	296.342	1.501	2	3	6	COC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(F)cc2)CCO1
365632559	ZINC000172882878	ref	2.94	-53.09	-1	297.38	1.141	0	3	4	CN(C)S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1
398248236	ZINC000625687058	high	4.11	-3.27	0	231.286	2.428	0	2	2	FC1(F)C[C@@H]2CC[C@H](C1)N2C[C@@H]1CCCO1
342088172	ZINC000121274043	mid	6.58	-103.73	2	267.417	1.365	3	1	4	C[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)C1
342088173	ZINC000121274043	high	4.28	-40.57	1	267.417	1.365	2	2	4	C[C@@H]1CCCN(C[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)C1
342088174	ZINC000121271199	ref	5.42	-22.72	0	288.351	1.617	2	4	5	CC(C)c1cc(C(=O)NCCc2cncn2C)cc(=O)[nH]1
342088175	ZINC000121271199	low	5.93	-50.23	1	288.351	1.617	2	3	5	CC(C)c1cc(C(=O)NCCc2c[nH+]cn2C)cc(=O)[nH]1
342088176	ZINC000121194458	ref	3.31	-43.16	1	297.443	1.133	2	3	4	C[C@@H]1CN(C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
214183688	ZINC000293564794	ref	5.85	-24.67	0	366.443	0.341	1	7	8	CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)CCn1ncn(C)c1=O
365632536	ZINC000274352143	ref	3.51	-8.14	0	256.346	1.982	2	3	4	CC(C)=CC(=O)N[C@H](C)CNC(=O)OC(C)(C)C
365632542	ZINC000274350193	ref	3.73	-41.9	1	262.357	1.515	2	3	5	C[C@H](c1cnccn1)[NH+]1CCC(CCC(N)=O)CC1
214183693	ZINC000293562854	ref	1.16	-73.91	1	353.444	0.825	3	4	6	CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2
365632543	ZINC000274350193	high	1.51	-11.63	0	262.357	1.515	1	4	5	C[C@H](c1cnccn1)N1CCC(CCC(N)=O)CC1
214183696	ZINC000293561048	ref	1.78	-18.78	0	363.414	0.955	3	5	8	CCOC1(CNC(=O)C(=O)Nc2cccc(OCC(N)=O)c2)CCCC1
214183700	ZINC000293564832	ref	9.58	-27.22	0	357.414	0.245	0	6	6	Cn1cnnc1COCC(=O)N1CCN(C(=O)Cc2ccccc2)CC1
365632546	ZINC000274351159	ref	5.88	-48.12	1	275.356	1.425	2	3	1	C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cncnc3)CC[C@@H]21
342088177	ZINC000121194458	mid	5.02	-103.45	2	297.443	1.133	3	2	4	C[C@@H]1C[NH+](C(C)(C)CNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
214183704	ZINC000293564721	ref	1.47	-8.0	0	362.43	0.524	3	6	4	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cccnc1N1CCOCC1
342088178	ZINC000600314819	ref	6.69	-42.72	1	251.374	1.774	2	2	4	C[N@@H+]1CCCC[C@H](CNC(=O)CC(C)(C)C#N)C1
342088179	ZINC000600314819	mid	6.77	-41.84	1	251.374	1.774	2	2	4	C[N@H+]1CCCC[C@H](CNC(=O)CC(C)(C)C#N)C1
214183708	ZINC000293560571	ref	0.68	-21.6	0	355.46	0.905	1	5	7	COC[C@H]1CCN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
342088180	ZINC000127161007	ref	3.41	-42.72	1	257.374	1.728	1	3	4	COC1(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)CCOCC1
214183712	ZINC000293560571	low	4.28	-51.63	1	355.46	0.905	2	4	7	COC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
214183714	ZINC000293560571	low	4.3	-48.12	1	355.46	0.905	2	4	7	COC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
214190402	ZINC000337634779	mid	4.59	-12.24	0	269.389	0.798	0	3	6	CC[C@@H]1C(=O)N(CC)CCN1C(=O)CN(CC)CC
365632549	ZINC000274351159	mid	6.28	-47.33	1	275.356	1.425	2	3	1	C[N@H+]1CCC[C@H]2CN(C(=O)Nc3cncnc3)CC[C@@H]21
342088181	ZINC000121209953	ref	3.04	-9.82	0	272.389	1.606	2	3	7	CCCCOCCNC(=O)N1CCC[C@@H]([C@@H](C)O)C1
342088182	ZINC000121161359	ref	5.33	-39.13	1	299.378	1.587	2	4	4	C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cn(-c2ccccc2)nn1
230725678	ZINC000414281393	ref	5.84	-51.62	1	317.401	3.161	1	2	4	C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(S(C)(=O)=O)c(F)c1
361823386	ZINC000035792896	ref	1.42	-8.24	0	276.258	2.11	2	2	5	C[C@H]([NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1)C(N)=O
282122066	ZINC000178189219	ref	8.29	-47.8	1	331.464	1.672	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CC2
230725681	ZINC000414281393	mid	4.84	-10.04	0	317.401	3.161	1	3	4	C[C@H](N[C@@H]1CCCC[C@H]1F)c1ccc(S(C)(=O)=O)c(F)c1
361823389	ZINC000035792896	mid	1.42	-8.24	0	276.258	2.11	2	3	5	C[C@H](N[C@@H](C)c1ccc(OC(F)(F)F)cc1)C(N)=O
361823394	ZINC000035934981	ref	3.88	-15.64	0	275.308	2.296	2	4	4	COc1ccc(C(=O)Nc2c(C)n[nH]c2C)c(OC)c1
197591552	ZINC000290088341	ref	6.63	-15.24	0	264.354	1.546	1	5	4	Cc1ccc(C[C@H](C)NC(=O)c2ncn(C)n2)s1
361823407	ZINC000035823656	ref	11.09	-42.54	1	296.414	2.371	1	1	2	CN1C(=O)[C@@H](C[NH+]2CCCCC2)C[C@H]1C#Cc1ccccc1
282122075	ZINC000178189219	mid	8.22	-49.33	1	331.464	1.672	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[N@H+](C3CCCCC3)C1)CC2
361823412	ZINC000035778920	ref	4.6	-50.42	1	252.115	2.094	1	2	2	[NH3+]Cc1cnn(-c2ccccc2Br)c1
342088183	ZINC000150877402	ref	5.26	-15.54	0	299.436	1.994	0	3	2	O=C(C[C@@H]1CCS(=O)(=O)C1)N1CCC2(CCCC2)CC1
342088184	ZINC000121239749	ref	3.46	-46.12	1	262.357	1.142	3	3	6	C[C@@]1(C(=O)NCCCNc2ccccn2)CCC[NH2+]1
342088185	ZINC000121239749	low	3.94	-85.79	2	262.357	1.142	3	2	6	C[C@@]1(C(=O)NCCCNc2cccc[nH+]2)CCC[NH2+]1
342088186	ZINC000121240449	ref	5.75	-13.2	0	253.346	1.141	1	4	8	CC(C)COCCC(=O)NCCc1cncn1C
342088187	ZINC000121240449	low	6.26	-38.0	1	253.346	1.141	1	3	8	CC(C)COCCC(=O)NCCc1c[nH+]cn1C
361823418	ZINC000035778920	high	4.2	-8.24	0	252.115	2.094	1	3	2	NCc1cnn(-c2ccccc2Br)c1
361823423	ZINC000035883572	ref	4.74	-8.4	0	296.37	2.026	2	2	4	COc1cccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1
361823432	ZINC000035883572	mid	4.74	-8.4	0	296.37	2.026	2	3	4	COc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c1
361823437	ZINC000035782230	ref	5.45	-52.35	-1	256.689	2.325	2	3	4	CC[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-]
361823445	ZINC000035784612	ref	4.91	-7.6	0	260.337	2.046	0	4	4	C[C@@H]1CN(CCOc2cccc(C#N)c2)[C@H](C)CO1
361823454	ZINC000035784612	mid	7.1	-42.27	1	260.337	2.046	1	3	4	C[C@@H]1C[N@H+](CCOc2cccc(C#N)c2)[C@H](C)CO1
361823456	ZINC000035784612	mid	7.47	-41.47	1	260.337	2.046	1	3	4	C[C@@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@H](C)CO1
349534430	ZINC000602429158	mid	7.14	-44.99	1	238.287	1.693	1	4	3	COC(=O)c1cc(C[N@H+]2CCC[C@H](C)C2)on1
214183701	ZINC000278483240	low	9.66	-33.65	1	308.389	2.38	2	5	5	Cn1ncc2c(N)[nH+]c(NCC3(Cc4ccccc4)CC3)nc21
349534432	ZINC000602429158	mid	4.66	-6.19	0	238.287	1.693	0	5	3	COC(=O)c1cc(CN2CCC[C@H](C)C2)on1
342088188	ZINC000121319086	ref	5.23	-12.64	0	288.351	1.575	1	5	6	CC(C)Oc1cccc(C(=O)NCCc2cncn2C)n1
199272997	ZINC000181263567	ref	6.22	-6.75	0	314.433	3.335	2	5	8	CCOc1ccccc1[C@H](CC(C)C)NCc1nccc(N)n1
342088189	ZINC000121319086	low	5.74	-37.64	1	288.351	1.575	1	4	6	CC(C)Oc1cccc(C(=O)NCCc2c[nH+]cn2C)n1
349534434	ZINC000162006076	ref	3.78	-39.07	1	225.336	0.245	1	2	3	CN1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1=O
342088190	ZINC000076492975	ref	8.01	-15.9	0	299.378	1.011	0	5	4	C[C@H]1CN(Cc2ccccc2)CCN1C(=O)Cn1cncn1
349534435	ZINC000162006076	mid	4.27	-40.36	1	225.336	0.245	1	2	3	CN1CCN(CC[C@@H]2CCC[N@H+]2C)CC1=O
349534437	ZINC000602429655	ref	3.65	-44.3	1	207.277	0.501	1	2	2	CN(C(=O)C1(C#N)CCC1)[C@H]1CC[NH2+]C1
349534439	ZINC000602429449	ref	8.31	-46.24	1	226.32	1.811	1	3	8	CCC[N@@H+](CC(=O)OC)C[C@@H](C)CCC#N
365632552	ZINC000274350558	ref	3.89	-53.91	1	277.299	1.633	2	3	6	C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(C(N)=O)no1
136229104	ZINC000292839037	ref	3.81	-6.65	0	237.343	2.176	2	2	4	C=C[C@@H](CO)NC(=O)C=C1CCC(C)(C)CC1
136229105	ZINC000184917847	ref	7.67	-9.23	0	249.329	3.087	1	1	6	C=C(C)C[C@H](C)C(=O)NCCc1ccccc1F
342088191	ZINC000076492975	mid	10.42	-57.91	1	299.378	1.011	1	4	4	C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cncn1
214183703	ZINC000278483148	ref	6.18	-16.07	0	304.39	2.309	0	3	3	CC[C@H]1CO[C@H](C)CN1C(=O)c1ccc(N(C)C(C)=O)cc1
349534441	ZINC000602429449	mid	8.29	-47.14	1	226.32	1.811	1	3	8	CCC[N@H+](CC(=O)OC)C[C@@H](C)CCC#N
342088192	ZINC000076492975	mid	10.24	-56.14	1	299.378	1.011	1	4	4	C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cncn1
342088193	ZINC000121233993	ref	8.01	-95.94	2	293.455	1.943	3	1	9	C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C
342088194	ZINC000121233993	high	4.64	-38.26	1	293.455	1.943	2	2	9	C=CCN(CC=C)[C@H](CNC(=O)[C@@]1(C)CCC[NH2+]1)C(C)C
349534443	ZINC000602429449	mid	6.17	-10.05	0	226.32	1.811	0	4	8	CCCN(CC(=O)OC)C[C@@H](C)CCC#N
349534445	ZINC000602429055	ref	6.44	-30.62	1	243.347	1.829	1	3	5	CC[C@](C)(C[N@@H+]1CCCC[C@@H]1C(=O)OC)OC
349534446	ZINC000602429055	mid	7.41	-27.17	1	243.347	1.829	1	3	5	CC[C@](C)(C[N@H+]1CCCC[C@@H]1C(=O)OC)OC
349534436	ZINC000621233435	ref	7.99	-11.85	0	293.411	2.252	1	3	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]cn2)C1
365632554	ZINC000274350558	mid	2.87	-9.41	0	277.299	1.633	2	4	6	C[C@H](Cc1ccc(F)cc1)NCc1cc(C(N)=O)no1
214183705	ZINC000053455626	ref	5.18	-15.92	0	329.425	2.483	2	4	6	CCSc1cc(C(=O)NCc2ccc(C(=O)NC)cc2)ccn1
214183707	ZINC000053458141	ref	8.69	-13.78	0	337.423	2.663	1	2	3	Cc1ccc(CNC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1
349534438	ZINC000621233435	mid	7.31	-11.4	0	293.411	2.252	1	3	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)Cc2cnc[nH]2)C1
365632558	ZINC000274352709	ref	6.19	-16.62	0	276.34	1.596	1	4	4	CCCC(=O)N1CCCC[C@H]1C(=O)Nc1cncnc1
214183710	ZINC000053447051	ref	7.48	-105.12	2	328.298	2.422	2	1	9	CN(CC[NH2+]CCC[NH+](C)C)Cc1ccc(Br)cc1
365632560	ZINC000274351876	ref	3.15	-6.78	0	267.3	1.438	1	3	3	C[C@H](O)C[C@@H]1COCCN1C(=O)c1ccc(F)cc1
365632563	ZINC000274349527	ref	3.41	-12.78	0	259.256	1.504	0	4	3	C[C@@H]1CCN(C(=O)c2cc(OC(F)F)n(C)n2)C1
398248237	ZINC000380255803	ref	-0.23	-57.27	-1	237.277	-0.585	1	5	5	CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@H]1CCOC1
342088195	ZINC000121161932	ref	3.97	-10.56	0	280.299	1.056	2	3	2	Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc1F
214183715	ZINC000053447051	mid	8.47	-88.47	2	328.298	2.422	3	1	9	C[NH+](C)CCCNCC[N@H+](C)Cc1ccc(Br)cc1
214183718	ZINC000053447051	mid	8.46	-88.53	2	328.298	2.422	3	1	9	C[NH+](C)CCCNCC[N@@H+](C)Cc1ccc(Br)cc1
190493332	ZINC000269423501	ref	8.9	-7.96	0	295.473	3.178	1	3	6	C[C@@H](CSCc1ccccc1)C(=O)N[C@@H]1CCSC1
342088196	ZINC000121161501	ref	5.33	-39.93	1	299.378	1.587	2	4	4	C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cn(-c2ccccc2)nn1
214183720	ZINC000053447051	high	5.02	-42.69	1	328.298	2.422	1	2	9	CN(C)CCC[NH2+]CCN(C)Cc1ccc(Br)cc1
342088197	ZINC000025303979	ref	4.57	-16.02	0	296.33	1.534	1	5	3	CN(Cc1cnn(C)c1)C(=O)c1cnc2ccccc2c1O
342088198	ZINC000025303979	mid	6.27	-30.88	0	296.33	1.534	1	4	3	CN(Cc1cnn(C)c1)C(=O)c1c[nH]c2ccccc2c1=O
342088199	ZINC000025303979	high	5.83	-50.64	-1	296.33	1.534	0	4	3	CN(Cc1cnn(C)c1)C(=O)c1c[n-]c2ccccc2c1=O
342088200	ZINC000121161807	ref	5.34	-40.74	1	299.378	1.587	2	4	4	C[C@@H](NC(=O)[C@@]1(C)CCC[NH2+]1)c1cn(-c2ccccc2)nn1
342088201	ZINC000127161935	ref	3.6	-11.16	0	291.319	1.515	0	3	3	C[C@@H]1COCCN1S(=O)(=O)Cc1ccc(F)cc1F
342088202	ZINC000121296239	ref	6.49	-15.87	0	273.336	1.661	2	4	5	CCc1ccc(O)c(C(=O)NCCc2cncn2C)c1
230725694	ZINC000425425709	ref	3.2	-9.8	0	300.362	2.354	2	4	5	COc1ccnc(CNC(=O)N[C@@H](C)c2ccc(C)cc2)n1
342088203	ZINC000121296239	low	7.01	-40.87	1	273.336	1.661	2	3	5	CCc1ccc(O)c(C(=O)NCCc2c[nH+]cn2C)c1
342088204	ZINC000121296239	high	7.5	-60.84	-1	273.336	1.661	1	4	5	CCc1ccc([O-])c(C(=O)NCCc2cncn2C)c1
365632561	ZINC000172882878	low	2.76	-12.85	0	297.38	1.141	1	3	4	CN(C)S(=O)(=O)Nc1ccccc1C(=O)N1CCCC1
365632564	ZINC000172886016	ref	2.86	-11.88	0	278.352	1.281	1	4	5	COC[C@H]1CN(CC(=O)Nc2ccc(C)cc2)CCO1
136229106	ZINC000137095714	ref	5.6	-9.09	0	238.356	2.744	0	3	5	C=C(C)CN(CC)C(=O)c1scnc1CC
365632565	ZINC000643091758	ref	4.82	-30.2	1	295.408	1.377	1	3	3	O=S(=O)(c1ccccn1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1
365632568	ZINC000172886566	ref	1.27	-9.53	0	295.364	1.645	0	7	5	COC[C@@H]1CN(Cc2nc(-c3ccsc3)no2)CCO1
365632569	ZINC000172887909	ref	3.52	-10.63	0	288.351	1.114	0	6	5	COC[C@H]1CN(Cc2cnn(-c3ccccc3)n2)CCO1
365632574	ZINC000172881272	ref	3.51	-7.89	0	295.379	1.811	0	5	8	CCOc1ccc(OCCN2CCO[C@@H](COC)C2)cc1
365632575	ZINC000172881272	mid	5.44	-40.57	1	295.379	1.811	1	4	8	CCOc1ccc(OCC[N@@H+]2CCO[C@@H](COC)C2)cc1
365632577	ZINC000172881272	mid	5.84	-42.19	1	295.379	1.811	1	4	8	CCOc1ccc(OCC[N@H+]2CCO[C@@H](COC)C2)cc1
365632579	ZINC000172887816	ref	1.4	-7.21	0	287.306	1.345	1	4	5	COC[C@@H]1CN(C[C@H](O)c2c(F)cccc2F)CCO1
136229107	ZINC000292807547	ref	9.05	-38.15	1	214.312	1.614	1	1	4	C#CC[N@H+](C)CCN1CCc2ccccc21
342088205	ZINC000121331918	ref	7.74	-15.09	0	257.337	1.882	1	3	5	C[C@@H](C(=O)NCCc1cncn1C)c1ccccc1
342088206	ZINC000121331918	low	8.26	-39.86	1	257.337	1.882	1	2	5	C[C@@H](C(=O)NCCc1c[nH+]cn1C)c1ccccc1
365632581	ZINC000172887059	ref	4.05	-8.82	0	279.336	1.32	0	5	5	COC[C@@H]1CN(Cc2ccc(C(=O)OC)cc2)CCO1
365632583	ZINC000172887059	low	6.52	-49.77	1	279.336	1.32	1	4	5	COC[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)cc2)CCO1
365632585	ZINC000172887059	low	6.47	-49.83	1	279.336	1.32	1	4	5	COC[C@@H]1C[N@@H+](Cc2ccc(C(=O)OC)cc2)CCO1
365632586	ZINC000172886463	ref	2.95	-13.59	0	295.77	1.638	3	3	6	CNC(=O)c1ccc(NCC(=O)NCC2CC2)cc1Cl
342088207	ZINC000127175476	ref	7.62	-40.04	1	285.351	1.542	2	4	4	O=C(Nc1ccnc2ccnn12)[C@@H](C1CC1)[NH+]1CCCC1
365639101	ZINC000274371267	ref	4.26	-18.64	0	278.291	1.784	3	4	4	CCc1nnc([C@H](C)NC(=O)Nc2cccc(F)n2)[nH]1
365632566	ZINC000274349965	ref	2.27	-10.09	0	298.408	1.896	2	4	7	Nc1cccc(S(=O)(=O)NCCCOC2CCCC2)c1
343993725	ZINC000599269772	mid	4.26	-13.51	0	272.348	1.936	1	4	4	N#CC1(C[C@H](O)CN2CCOc3ccccc3C2)CC1
214183706	ZINC000278483683	ref	8.86	-63.83	1	312.392	3.138	1	3	6	Cc1nc(F)ccc1C[NH2+]CCCc1nc2ccccc2n1C
365632571	ZINC000274352216	ref	4.17	-11.17	0	296.371	1.588	2	6	5	CCn1ccnc(N[C@H](C)CNC(=O)OC(C)(C)C)c1=O
214183709	ZINC000278483683	low	9.32	-114.45	2	312.392	3.138	1	2	6	Cc1nc(F)ccc1C[NH2+]CCCc1[nH+]c2ccccc2n1C
398248238	ZINC000645409882	ref	4.82	-51.74	1	221.264	0.133	3	3	2	O=C(Nc1nc[nH]n1)[C@@]12CCC[C@@H]1C[NH2+]C2
214183711	ZINC000278484516	ref	8.18	-60.32	0	319.361	1.905	2	4	5	O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1[O-]
214183713	ZINC000278484516	low	7.17	-42.35	1	319.361	1.905	3	4	5	O=C(NCC1CC[NH+](C2CC2)CC1)c1cc([N+](=O)[O-])ccc1O
282122068	ZINC000449153259	ref	4.55	-40.58	1	253.386	2.086	2	2	4	O[C@H](C[NH2+][C@@H]1CCCC12CCC2)C1CCOCC1
214183716	ZINC000278483659	ref	5.33	-16.51	0	315.377	1.877	1	6	4	CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(-c2nnnn2C)c1
214183719	ZINC000278483466	ref	3.73	-13.09	0	316.195	1.887	2	3	6	CC(C)NC(=O)COc1ccc(Br)cc1CCO
342088208	ZINC000127175476	mid	5.15	-7.62	0	285.351	1.542	1	5	4	O=C(Nc1ccnc2ccnn12)[C@@H](C1CC1)N1CCCC1
342088209	ZINC000121276589	ref	6.88	-14.97	0	291.326	1.687	1	4	7	Cn1cncc1CCNC(=O)CCOc1ccc(F)cc1
282122072	ZINC000449153102	ref	8.14	-39.44	1	286.419	2.465	2	1	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21
342088210	ZINC000121276589	low	7.39	-40.28	1	291.326	1.687	1	3	7	Cn1c[nH+]cc1CCNC(=O)CCOc1ccc(F)cc1
128584678	ZINC000336810809	ref	5.01	-37.08	-1	285.319	2.697	0	4	5	Cc1cccc(OCCN=c2[n-]nc(C(F)F)s2)c1
342088211	ZINC000121233841	ref	7.55	-95.09	2	293.455	1.943	3	1	9	C=CC[NH+](CC=C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C
342088212	ZINC000121233841	high	5.61	-41.81	1	293.455	1.943	2	2	9	C=CCN(CC=C)[C@@H](CNC(=O)[C@]1(C)CCC[NH2+]1)C(C)C
342088213	ZINC000121214078	ref	7.92	-44.55	1	298.39	1.69	2	3	5	C[C@]1(C(=O)NCc2cccc(Cn3ccnc3)c2)CCC[NH2+]1
342088214	ZINC000121214078	low	8.43	-98.76	2	298.39	1.69	2	2	5	C[C@]1(C(=O)NCc2cccc(Cn3cc[nH+]c3)c2)CCC[NH2+]1
342088215	ZINC000621362968	ref	4.95	-32.56	1	268.401	1.338	2	2	3	C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1
365632573	ZINC000274351775	ref	5.09	-41.88	1	275.352	1.218	0	3	2	Cc1cc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc[nH+]1
365632576	ZINC000274352030	ref	3.23	-13.76	0	283.284	1.471	0	5	2	O=S(=O)(c1cccc2nonc12)N1CCC=C(F)C1
342088216	ZINC000621362968	mid	5.39	-35.3	1	268.401	1.338	2	2	3	C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1
365632580	ZINC000274352311	ref	3.55	-40.45	1	256.346	1.174	2	3	12	COCCOCCOCCC[NH2+]Cc1cc[nH]c1
365632584	ZINC000274349890	ref	4.15	-11.41	0	266.728	1.466	1	2	2	CNC(=O)C1CN(C(=O)c2cc(C)cc(Cl)c2)C1
365639104	ZINC000274371267	mid	3.78	-19.2	0	278.291	1.784	3	4	4	CCc1nc([C@H](C)NC(=O)Nc2cccc(F)n2)n[nH]1
365639110	ZINC000274368359	ref	2.15	-11.99	0	266.345	1.165	3	3	4	Cc1n[nH]cc1CNC(=O)N(C)CC1(O)CCCC1
365639113	ZINC000274368359	mid	2.12	-11.74	0	266.345	1.165	3	3	4	Cc1[nH]ncc1CNC(=O)N(C)CC1(O)CCCC1
365639117	ZINC000274369202	ref	4.07	-8.22	0	283.393	1.597	1	4	4	Cc1ccc(CC(=O)N2CCOC[C@H]2C[C@H](C)O)s1
365639123	ZINC000274371259	ref	5.43	-47.25	1	277.372	1.72	3	3	5	CC1CC[NH+](CCCNC(=O)Nc2cncnc2)CC1
365639127	ZINC000274367577	ref	6.45	-9.06	0	297.362	1.367	1	5	4	CN1CCN(c2cc(NCc3ccccc3)ncn2)CC1=O
342088217	ZINC000621362968	high	3.23	-7.94	0	268.401	1.338	1	3	3	C[C@H]1CCCCN1C(=O)CN1CC[C@@H](C)[C@H](CO)C1
342088218	ZINC000121263301	ref	3.34	-47.08	1	289.379	1.604	2	3	3	C[C@]1(C(=O)Nc2cccc(N3CCOCC3)c2)CCC[NH2+]1
365639133	ZINC000274367577	low	6.93	-39.46	1	297.362	1.367	1	4	4	CN1CCN(c2cc(NCc3ccccc3)[nH+]cn2)CC1=O
365639136	ZINC000274367577	low	6.74	-40.59	1	297.362	1.367	1	4	4	CN1CCN(c2cc(NCc3ccccc3)nc[nH+]2)CC1=O
365639139	ZINC000274368694	ref	3.51	-46.13	1	295.335	1.529	2	5	7	COC(=O)C1=C(C)O[C@H](C[NH2+][C@@H](CCO)c2ccco2)C1
342088219	ZINC000121204070	ref	0.96	-14.02	0	296.371	1.375	3	5	5	CC(C)n1cc(NC(=O)NCC2(CO)CCOCC2)cn1
365639143	ZINC000274368694	mid	2.28	-9.16	0	295.335	1.529	2	6	7	COC(=O)C1=C(C)O[C@H](CN[C@@H](CCO)c2ccco2)C1
365639148	ZINC000274370031	ref	3.45	-10.91	0	283.397	1.979	1	4	5	Cn1nccc1S(=O)(=O)NCCC1=CCCCCC1
342088651	ZINC000121537418	low	8.69	-45.81	1	282.347	1.884	1	3	4	Cn1c[nH+]cc1CCNC(=O)c1cn(C)c2ccccc12
342088652	ZINC000121555209	ref	7.94	-16.81	0	279.384	1.674	1	4	6	C[C@@H]1CCCC[C@@H]1OCC(=O)NCCc1cncn1C
365639153	ZINC000274368703	ref	3.48	-49.46	1	295.335	1.529	2	5	7	COC(=O)C1=C(C)O[C@H](C[NH2+][C@H](CCO)c2ccco2)C1
214183717	ZINC000293564896	ref	-0.57	-14.99	0	354.428	0.696	3	5	4	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1
342088220	ZINC000121305517	ref	7.26	-103.43	2	281.444	1.899	3	1	6	CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1
214183726	ZINC000293557467	ref	4.99	-19.55	0	359.382	0.782	2	5	2	COC(=O)[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O
214183730	ZINC000293564591	ref	2.34	-19.62	0	374.441	0.925	1	8	9	COCCn1nnc2c1CCN(C[C@H](O)COc1cccc(C(C)=O)c1)C2
214183734	ZINC000293567955	ref	5.8	-14.97	0	372.429	0.542	3	6	7	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(Cn2cncn2)c1)C(C)C
214183737	ZINC000293562364	ref	1.29	-16.58	0	365.411	0.115	2	5	5	CC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1
343993727	ZINC000079908461	ref	5.08	-8.48	0	266.366	2.177	0	3	4	O=S(=O)(c1cccnc1)N(C1CCCC1)C1CC1
365632590	ZINC000122928834	ref	5.26	-7.53	0	290.407	2.321	0	3	5	COCCN(C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C
214183740	ZINC000293560323	ref	2.63	-19.65	0	367.387	0.718	1	8	7	CCn1nc(C)c(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1
365632592	ZINC000122928834	mid	8.31	-32.82	1	290.407	2.321	1	2	5	COCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C
214183747	ZINC000293566433	ref	-3.04	-12.8	0	373.406	0.079	4	5	4	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
214183750	ZINC000293560589	ref	6.39	-52.48	1	370.453	0.972	2	3	3	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)C2=O)cc1
365632593	ZINC000122928834	mid	7.97	-34.43	1	290.407	2.321	1	2	5	COCC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@H]1C
197591564	ZINC000162776767	ref	5.05	-43.48	-1	308.765	3.184	1	4	4	Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc([O-])c(Cl)c1
214183752	ZINC000293566843	ref	8.26	-32.29	0	363.805	0.907	1	6	6	Cn1cnnc1COCC(=O)N[C@@H]1CCN(c2ccccc2Cl)C1=O
342088221	ZINC000121305517	mid	6.57	-98.37	2	281.444	1.899	3	1	6	CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1
342088222	ZINC000121305517	high	5.2	-39.78	1	281.444	1.899	2	2	6	CCCCN1CCCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1
197591566	ZINC000162776767	mid	4.27	-15.03	0	308.765	3.184	2	4	4	Cc1noc(C)c1[C@H](C)CNC(=O)c1ccc(O)c(Cl)c1
342088223	ZINC000121256829	ref	3.34	-21.51	0	295.368	1.158	2	5	3	CN1C[C@@H](NC(=O)Nc2nnc(C3CC3)s2)CCC1=O
342088224	ZINC000121435745	ref	5.78	-13.58	0	297.318	1.443	1	6	5	Cn1cncc1CCNC(=O)c1cc(-c2ccncc2)on1
365632591	ZINC000623064236	ref	1.74	-54.33	1	323.418	1.435	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)cc1
342088225	ZINC000121435745	low	6.29	-39.2	1	297.318	1.443	1	5	5	Cn1c[nH+]cc1CCNC(=O)c1cc(-c2ccncc2)on1
136229108	ZINC000292807547	mid	9.05	-38.09	1	214.312	1.614	1	1	4	C#CC[N@@H+](C)CCN1CCc2ccccc21
342088226	ZINC000121256710	ref	3.35	-21.55	0	295.368	1.158	2	5	3	CN1C[C@H](NC(=O)Nc2nnc(C3CC3)s2)CCC1=O
365632595	ZINC000623064146	ref	3.48	-9.96	0	315.377	1.351	2	6	4	COCc1nc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)n(C)n1
365632597	ZINC000623064141	ref	4.86	-42.71	1	316.224	1.872	1	3	3	O=C(c1ncc(Br)s1)N(C1CC1)[C@H]1CC[NH2+]C1
365632599	ZINC000623064234	ref	2.29	-53.56	1	323.418	1.435	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)cc1
365632601	ZINC000623064929	ref	5.99	-40.92	1	318.421	1.466	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)cn1
365632603	ZINC000623064229	ref	1.62	-60.58	1	311.407	1.291	2	3	3	C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365632605	ZINC000623064928	ref	5.9	-40.85	1	318.421	1.466	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)cn1
342088227	ZINC000618611949	ref	2.01	-14.65	0	283.278	1.952	3	2	4	C[C@@]1(CNC(=O)c2ccc(NC(N)=O)cc2)CC1(F)F
230744827	ZINC000414376605	ref	8.32	-9.01	0	311.385	3.262	1	3	3	Cc1cc(C#N)cc(N2C(=O)N[C@H](CC3CCCCC3)C2=O)c1
365632606	ZINC000623064686	ref	4.02	-53.15	1	324.356	1.902	1	4	2	C[C@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@H]1[NH3+]
342088228	ZINC000121372541	ref	6.83	-41.68	1	284.363	1.385	1	4	4	CN1CCc2ccc(C(=O)NCCc3cncn3C)cc21
342088229	ZINC000121372541	low	6.83	-41.68	1	284.363	1.385	1	3	4	CN1CCc2ccc(C(=O)NCCc3c[nH+]cn3C)cc21
342088230	ZINC000121395961	ref	7.03	-16.14	0	287.363	1.891	1	4	6	COc1cccc([C@@H](C)C(=O)NCCc2cncn2C)c1
342088231	ZINC000121395961	low	7.55	-40.97	1	287.363	1.891	1	3	6	COc1cccc([C@@H](C)C(=O)NCCc2c[nH+]cn2C)c1
342088232	ZINC000121259905	ref	5.83	-16.76	0	298.268	1.806	1	4	4	Cn1cncc1CCNC(=O)c1ncccc1C(F)(F)F
342088233	ZINC000121259905	low	6.34	-40.21	1	298.268	1.806	1	3	4	Cn1c[nH+]cc1CCNC(=O)c1ncccc1C(F)(F)F
365632609	ZINC000623064237	ref	2.16	-57.42	1	323.418	1.435	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1
349534440	ZINC000621233435	low	7.82	-42.48	1	293.411	2.252	1	2	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1
365632594	ZINC000122931949	ref	6.36	-9.54	0	296.374	2.431	0	5	4	CCc1ccc(CN2CCN(c3ncccc3C#N)CC2)o1
398248240	ZINC000395034848	ref	7.64	-42.11	1	209.72	3.314	1	0	4	C/C=C\C[NH2+]Cc1ccc(Cl)cc1C
365632596	ZINC000122931949	low	8.92	-38.8	1	296.374	2.431	1	4	4	CCc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1
342088234	ZINC000121341910	ref	6.56	-7.3	0	292.383	1.592	1	4	4	C=CCN(C)C(=O)C(=O)Nc1cc(CC(C)(C)C)nn1C
342088235	ZINC000121433298	ref	4.87	-13.06	0	270.373	1.175	1	3	5	COC[C@H](NC(=O)[C@@H]1CCCCN1C(C)=O)C(C)C
365632598	ZINC000122833021	ref	4.95	-12.24	0	298.364	2.235	0	5	3	C[C@H]1CCCN(c2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)C1
214183722	ZINC000053447051	high	6.13	-34.79	1	328.298	2.422	2	2	9	CN(CCNCCC[NH+](C)C)Cc1ccc(Br)cc1
365632600	ZINC000122836460	ref	4.24	-9.99	0	255.358	2.041	1	3	7	C=CCOCCCC(=O)NC1C[C@@H](C)O[C@H](C)C1
342088236	ZINC000600314859	ref	6.44	-40.52	1	270.373	1.034	2	3	5	COC(=O)C[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
365632602	ZINC000122791718	ref	5.85	-11.29	0	263.297	2.095	2	4	3	C[C@H]1CCC[C@H]1NC(=O)c1cccc([N+](=O)[O-])c1N
214183725	ZINC000053450554	ref	7.81	-47.04	1	342.443	2.023	2	4	7	Cc1cnn(-c2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc2)c1
197591572	ZINC000290088336	ref	1.82	-10.92	0	274.324	1.725	3	4	5	C=C[C@@H](CO)NC(=O)Nc1ccc2cnn(CC)c2c1
365632604	ZINC000122953653	ref	8.42	-33.59	1	252.402	2.365	1	1	2	C[C@@H](C(=O)N1CCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](C)C1
214183727	ZINC000053450554	mid	5.41	-12.22	0	342.443	2.023	1	5	7	Cc1cnn(-c2ccc(C(=O)NCCCCN3CCOCC3)cc2)c1
282122074	ZINC000248970251	mid	1.19	-12.22	0	312.454	1.231	3	3	6	C[C@H](O)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H](C)CO
342088237	ZINC000600314859	mid	6.62	-40.79	1	270.373	1.034	2	3	5	COC(=O)C[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342088238	ZINC000121448400	ref	1.95	-10.31	0	284.312	1.153	1	4	3	C[C@H]1OCC[C@H]1NS(=O)(=O)c1ccc(C#N)cc1F
342088239	ZINC000121448400	high	2.26	-38.26	-1	284.312	1.153	0	4	3	C[C@H]1OCC[C@H]1[N-]S(=O)(=O)c1ccc(C#N)cc1F
342088240	ZINC000121222208	ref	8.98	-42.95	1	287.363	1.775	1	4	6	Cc1ccc(OCC(=O)NCCc2cncn2C)c(C)c1
342088241	ZINC000121222208	low	8.98	-42.95	1	287.363	1.775	1	3	6	Cc1ccc(OCC(=O)NCCc2c[nH+]cn2C)c(C)c1
342088242	ZINC000618611948	ref	1.95	-13.77	0	283.278	1.952	3	2	4	C[C@]1(CNC(=O)c2ccc(NC(N)=O)cc2)CC1(F)F
342088243	ZINC000121433456	ref	4.87	-12.72	0	270.373	1.175	1	3	5	COC[C@@H](NC(=O)[C@H]1CCCCN1C(C)=O)C(C)C
282122078	ZINC000248970251	mid	1.19	-12.22	0	312.454	1.231	2	4	6	C[C@H](O)CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H](C)CO
168364669	ZINC000368495084	ref	5.96	-39.74	1	337.533	3.289	1	4	6	CC(C)O[C@H]1C[C@@H]([NH2+]C2CCN(Cc3cscn3)CC2)C1(C)C
282122082	ZINC000248969143	ref	6.71	-10.34	0	310.438	1.812	1	4	4	COC(=O)[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1C
282122088	ZINC000248969143	mid	8.38	-35.28	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1C
178300343	ZINC000237168012	ref	3.71	-59.95	1	351.428	1.178	3	4	8	COC(=O)c1cc(C[NH2+]CCNS(=O)(=O)c2ccc(C)cc2)c[nH]1
282122092	ZINC000248969143	mid	8.62	-47.45	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@@H]1C
282122097	ZINC000248969140	ref	6.35	-10.68	0	310.438	1.812	1	4	4	COC(=O)[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1C
282122102	ZINC000248969140	mid	8.09	-41.33	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1C
178300348	ZINC000237168012	mid	2.34	-14.93	0	351.428	1.178	3	5	8	COC(=O)c1cc(CNCCNS(=O)(=O)c2ccc(C)cc2)c[nH]1
178300352	ZINC000237162002	ref	4.53	-44.52	1	355.866	1.099	1	4	9	COCC[NH2+]CC(=O)N1CCN(CCOc2ccccc2Cl)CC1
178300357	ZINC000237162002	high	3.19	-11.98	0	355.866	1.099	1	5	9	COCCNCC(=O)N1CCN(CCOc2ccccc2Cl)CC1
178300359	ZINC000237170533	ref	3.66	-42.54	1	353.488	1.121	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@]2(C)CCC[NH2+]C2)cc1
178300364	ZINC000237169038	ref	5.55	-40.68	1	363.433	1.555	2	3	5	COc1ccc(F)cc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
282122106	ZINC000248969140	mid	8.54	-45.46	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@H]2C)C[C@H]1C
178300370	ZINC000237169707	ref	4.72	-50.57	1	361.486	1.907	2	4	9	COc1cc(/C=C/C(=O)NCCCN2CC[NH2+]CC2)ccc1OC(C)C
282122110	ZINC000248970960	ref	2.57	-9.4	0	316.467	1.747	3	4	6	CCO[C@@H]1C[C@@](O)(CNC(=O)NC[C@H]2CCCS2)C1(C)C
365632607	ZINC000122953653	mid	8.19	-33.0	1	252.402	2.365	1	1	2	C[C@@H](C(=O)N1CCCCC1)[N@H+]1CC[C@@H](C)[C@@H](C)C1
178300373	ZINC000237161220	ref	3.0	-57.41	1	362.821	1.468	3	5	4	CNC(=O)c1cc(Cl)ccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1
185091448	ZINC000096081397	mid	8.21	-96.85	2	289.423	1.79	2	2	5	COCC[NH+]1CC[C@@H]2C[N@H+](Cc3cccc(C)n3)C[C@@H]2C1
365632608	ZINC000122953653	high	5.86	-6.92	0	252.402	2.365	0	2	2	C[C@@H](C(=O)N1CCCCC1)N1CC[C@@H](C)[C@@H](C)C1
398248241	ZINC000645409837	ref	4.66	-47.88	1	209.253	0.131	3	3	2	C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nc[nH]n1
342088244	ZINC000121391324	ref	2.23	-9.4	0	258.362	1.214	2	3	5	COCC[C@H](C)NC(=O)N1CCC[C@@H]([C@@H](C)O)C1
214183723	ZINC000278483270	ref	1.14	-7.01	0	310.444	2.503	2	6	6	OCC[C@]1(NCc2csc(-c3cccs3)n2)CCOC1
214183724	ZINC000278483270	mid	2.13	-40.57	1	310.444	2.503	2	5	6	OCC[C@]1([NH2+]Cc2csc(-c3cccs3)n2)CCOC1
214183728	ZINC000278484312	ref	2.2	-14.26	0	323.393	2.377	3	4	6	C[C@H](CO)CNC(=O)NCc1nc(-c2ccccc2F)cs1
214183731	ZINC000278484268	ref	7.13	-12.85	0	320.267	2.656	1	4	7	CCCOCC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
214183733	ZINC000278483090	ref	5.5	-15.93	0	313.394	2.173	0	3	2	Cc1ccc(F)c(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c1
343994932	ZINC000139423888	ref	2.59	-16.39	0	171.196	0.074	1	3	2	CC(C)C(=O)N[C@@H]1CCOC1=O
214183736	ZINC000278484548	ref	5.97	-11.15	0	306.435	3.376	1	6	5	COc1cc(SC)ccc1NCc1cn(C(C)(C)C)nn1
282122079	ZINC000449153131	ref	5.74	-38.24	1	262.353	2.338	2	2	5	CCC[NH2+][C@@H](C)C(=O)Nc1cccc2c1OCCC2
365632610	ZINC000122929042	ref	5.6	-8.18	0	290.407	2.321	0	3	5	COCCN(C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C
365632612	ZINC000122929042	mid	8.28	-36.64	1	290.407	2.321	1	2	5	COCC[N@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C
365632613	ZINC000122929042	mid	8.04	-38.81	1	290.407	2.321	1	2	5	COCC[N@@H+](C)[C@H](C)C(=O)N1c2ccccc2CC[C@@H]1C
230725753	ZINC000450380239	ref	6.63	-12.57	0	322.796	1.841	0	6	5	COc1cc(CN2CCO[C@@H](Cn3cncn3)C2)ccc1Cl
230725755	ZINC000450381859	ref	2.66	-12.83	0	308.197	1.592	1	4	6	COCCN(CCO)C(=O)c1ccsc1Br
230725757	ZINC000450385761	ref	7.42	-18.3	0	307.39	1.81	0	4	8	COCCCOCCN(C)C(=O)[C@H]1Cc2cccc(C)c2O1
365632615	ZINC000122841303	ref	5.31	-8.41	0	275.414	2.004	0	3	6	CCC1(CC)[C@@H](OC)C[C@H]1N(C)S(=O)(=O)C1CC1
365632617	ZINC000122873793	ref	5.08	-39.57	1	277.364	2.147	1	3	8	C=CCOc1ccccc1C[NH2+]C[C@@]1(OC)CCOC1
365632620	ZINC000122873793	high	5.07	-4.83	0	277.364	2.147	1	4	8	C=CCOc1ccccc1CNC[C@@]1(OC)CCOC1
412491558	ZINC000598950851	ref	0.83	-20.7	0	322.369	-0.722	3	7	5	COC[C@@H](C)NC(=O)NC(=O)CN1CCc2cnc(N)nc2C1
365632622	ZINC000122804972	ref	3.87	-41.8	1	297.443	2.116	2	3	3	CN1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1
342088245	ZINC000046825204	ref	3.77	-12.96	0	256.252	1.171	1	2	3	C[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)C
342088246	ZINC000121498438	ref	4.76	-9.51	0	292.383	1.568	0	5	4	COc1cc(N2CCC(C(=O)N(C)C(C)C)CC2)ncn1
365632611	ZINC000623064136	ref	3.13	-44.05	1	316.224	1.859	1	3	1	[NH3+][C@]12CCC[C@H]1CN(C(=O)c1ncc(Br)s1)C2
365632614	ZINC000623064107	ref	0.74	-12.87	0	302.334	1.606	2	6	4	COCc1nc(C(=O)N[C@H]2CCCc3cc(N)ccc32)no1
197591580	ZINC000290089861	ref	7.18	-10.62	0	275.27	3.417	0	2	1	C[C@@H]1C[C@@H](C)CN(C(=O)c2ccoc2C(F)(F)F)C1
365632616	ZINC000623065046	ref	7.95	-41.95	1	317.437	1.687	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1
290622358	ZINC000492520436	ref	3.1	-10.68	0	297.354	2.429	3	3	5	C[C@@](O)(CNC(=O)/C=C\c1ccc(O)cc1)c1ccccc1
290622361	ZINC000492521622	ref	6.62	-9.98	0	292.404	2.457	0	4	4	CC[C@H]1CN(C(=O)/C=C/c2cncc(OC)c2)CCS1
290622363	ZINC000492521773	ref	7.55	-18.11	0	296.326	2.331	1	3	3	Cc1ccc(/C=C/C(=O)NN2CCc3ccccc3C2=O)o1
290622366	ZINC000492520393	ref	3.93	-14.4	0	268.316	2.159	2	3	5	O=C(/C=C\c1cccc(O)c1)NCCc1ccccn1
365632618	ZINC000623064244	ref	1.74	-44.15	-1	319.39	1.147	1	5	2	COc1ccccc1[C@H]1CNCCN1C(=O)N=c1[n-]ncs1
197591581	ZINC000290088744	ref	2.86	-12.99	0	284.36	1.466	2	5	9	CC[C@H](CNC(=O)Nc1ccn(CCCOC)n1)OC
282122084	ZINC000170719955	ref	5.71	-21.03	0	286.339	1.426	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1ncccc1C)CC2
282122101	ZINC000194265295	ref	7.3	-14.32	0	311.389	1.533	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCc3cccnc31)CC2
282122116	ZINC000343424129	ref	4.42	-50.16	1	277.372	0.406	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[NH2+][C@H]1C)CC2
365632619	ZINC000623064244	mid	3.05	-61.08	0	319.39	1.147	1	4	2	COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)N=c1[n-]ncs1
398248243	ZINC000645410078	ref	4.96	-50.0	1	209.253	0.275	3	3	2	C[C@@]1(C(=O)Nc2nc[nH]n2)CCCC[NH2+]1
398248248	ZINC000645410078	high	3.82	-13.57	0	209.253	0.275	3	4	2	C[C@@]1(C(=O)Nc2nc[nH]n2)CCCCN1
342088247	ZINC000121485896	ref	6.13	-86.05	2	297.443	1.088	1	3	6	CCOCCN1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1CC
282122133	ZINC000297364027	ref	3.97	-15.78	0	317.378	1.36	2	7	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1snc(C)c1C#N)CC2
342088248	ZINC000121485896	mid	6.56	-105.16	2	297.443	1.088	2	2	6	CCOCC[N@@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1CC
342088249	ZINC000121485896	mid	6.56	-105.16	2	297.443	1.088	2	2	6	CCOCC[N@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@H]1CC
342088250	ZINC000121307830	ref	6.7	-21.7	0	283.253	1.81	1	3	4	Cn1cncc1CCNC(=O)c1ccc(F)c(F)c1F
365632621	ZINC000623065103	ref	4.25	-41.24	1	315.295	1.911	2	2	1	O=C(Nc1ccccc1C(F)(F)F)N1CCOC2(C[NH2+]C2)C1
342088251	ZINC000121307830	low	7.22	-48.55	1	283.253	1.81	1	2	4	Cn1c[nH+]cc1CCNC(=O)c1ccc(F)c(F)c1F
365632623	ZINC000623065103	high	2.53	-8.38	0	315.295	1.911	2	3	1	O=C(Nc1ccccc1C(F)(F)F)N1CCOC2(CNC2)C1
343993730	ZINC000079912912	ref	5.33	-11.89	0	299.461	2.363	2	4	6	Cc1ccc(CCCC(=O)NC[C@]2(O)CCSC2)s1
342088252	ZINC000150887376	ref	8.98	-8.86	0	262.357	1.851	0	4	3	O=C(CCn1cncn1)N1CCC2(CCCC2)CC1
365632625	ZINC000623064147	ref	3.48	-9.69	0	315.377	1.351	2	6	4	COCc1nc(C(=O)N[C@H]2CCCc3cc(N)ccc32)n(C)n1
365632627	ZINC000623063874	ref	2.47	-11.09	0	301.346	1.778	1	5	3	COc1ccccc1[C@@H]1CNCCN1C(=O)c1ncc(C)o1
185087497	ZINC000096071241	ref	6.16	-16.86	0	287.363	1.585	0	3	2	CC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2cccnc2)C1
282122085	ZINC000449153131	high	4.59	-8.54	0	262.353	2.338	2	3	5	CCCN[C@@H](C)C(=O)Nc1cccc2c1OCCC2
342088253	ZINC000618611938	ref	4.59	-12.19	0	285.294	1.381	1	4	4	Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@@]1(C)CC1(F)F
343993735	ZINC000079910429	ref	7.9	-12.8	0	294.439	2.433	1	2	6	CCC[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1
342088254	ZINC000121499002	ref	7.75	-16.15	0	299.374	1.891	1	4	6	COc1cccc([C@H]2C[C@H]2C(=O)NCCc2cncn2C)c1
342088255	ZINC000121499002	low	8.27	-40.26	1	299.374	1.891	1	3	6	COc1cccc([C@H]2C[C@H]2C(=O)NCCc2c[nH+]cn2C)c1
365632628	ZINC000623063874	mid	3.8	-52.65	1	301.346	1.778	1	4	3	COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)c1ncc(C)o1
342088256	ZINC000121432380	ref	7.04	-41.55	1	268.32	1.874	2	3	4	Cn1cncc1CCNC(=O)c1ccc2cc[nH]c2c1
342088257	ZINC000121432380	low	7.04	-41.55	1	268.32	1.874	2	2	4	Cn1c[nH+]cc1CCNC(=O)c1ccc2cc[nH]c2c1
342088258	ZINC000121499354	ref	7.75	-15.76	0	299.374	1.891	1	4	6	COc1cccc([C@@H]2C[C@@H]2C(=O)NCCc2cncn2C)c1
214183729	ZINC000053452682	ref	5.81	-11.09	0	328.503	3.255	1	5	7	Cc1csc(SCC(=O)NCCO[C@H]2CCCC[C@@H]2C)n1
185087500	ZINC000096071700	ref	6.79	-16.25	0	289.379	1.642	0	3	2	CCN1C[C@@]2(CCCCN2C(=O)c2cccn2C)CC1=O
259309352	ZINC000323003377	ref	4.52	-40.59	1	225.336	1.633	1	3	6	CC[C@@](C)(C[NH2+]Cc1cnn(C)c1C)OC
342088259	ZINC000121499354	low	8.27	-40.18	1	299.374	1.891	1	3	6	COc1cccc([C@@H]2C[C@@H]2C(=O)NCCc2c[nH+]cn2C)c1
282122087	ZINC000533468712	mid	6.58	-37.98	1	280.335	1.584	1	5	3	c1cnc2nc(NC[C@H]3CCCn4cc[nH+]c43)ccc2n1
365632624	ZINC000122804972	mid	6.25	-109.07	2	297.443	2.116	3	2	3	C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1
365632626	ZINC000122919641	ref	5.6	-9.7	0	282.347	2.177	0	5	3	Cc1ccc(CN2CCN(c3ncccc3C#N)CC2)o1
349534442	ZINC000621233435	low	7.81	-42.55	1	293.411	2.252	1	2	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1
365632629	ZINC000122919641	low	8.14	-38.76	1	282.347	2.177	1	4	3	Cc1ccc(C[NH+]2CCN(c3ncccc3C#N)CC2)o1
197591586	ZINC000290091139	ref	5.48	-9.01	0	284.359	2.496	2	3	5	CCc1ccnc(C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c1
197591587	ZINC000290089417	ref	6.0	-45.72	1	281.421	2.561	1	3	7	CO[C@H]1COC[C@@H]1[NH2+][C@H](C)CCSc1ccccc1
282122091	ZINC000533469634	ref	1.1	-9.02	0	296.392	1.507	3	4	6	O=C(NCC1(CO)COC1)N[C@H](c1cccs1)C1CC1
342594883	ZINC000590772677	ref	6.25	-12.76	0	271.32	1.36	1	4	5	N#Cc1ccc(NCC(=O)N(C2CC2)C2COC2)cc1
342594884	ZINC000590772368	ref	5.55	-13.98	0	296.33	1.993	1	5	5	C[C@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cnccn1
349534444	ZINC000621234984	ref	5.83	-8.11	0	288.351	2.112	1	4	6	COc1cccc(CN(CC(C)C)C(=O)c2cn[nH]n2)c1
282122096	ZINC000533468311	ref	3.53	-13.01	0	296.327	1.021	2	5	5	CS(=O)(=O)Nc1ccc(CNc2ncc(F)cn2)cc1
282122103	ZINC000533469633	ref	-0.25	-11.79	0	294.229	1.077	2	4	7	NC(=O)c1ccc(C(=O)NCCCOCC(F)(F)F)o1
365632631	ZINC000122952131	ref	7.4	-108.01	2	254.418	2.266	2	1	6	COCCC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCC1
365632634	ZINC000122952131	mid	6.89	-105.15	2	254.418	2.266	2	1	6	COCCC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1
365632635	ZINC000122952131	mid	4.64	-38.85	1	254.418	2.266	1	2	6	COCCC1(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)CCC1
365632637	ZINC000122910448	ref	9.49	-39.72	1	282.391	2.432	1	3	3	N#Cc1cccnc1N1CC[NH+](C[C@@H]2CC=CCC2)CC1
365632640	ZINC000122910448	high	7.41	-7.02	0	282.391	2.432	0	4	3	N#Cc1cccnc1N1CCN(C[C@@H]2CC=CCC2)CC1
365632641	ZINC000122814306	ref	6.26	-17.56	0	298.337	2.363	1	4	2	Cc1nc2n(n1)CCC[C@@H]2NC(=O)C1CCC(F)(F)CC1
365632644	ZINC000122910215	ref	9.48	-39.61	1	282.391	2.432	1	3	3	N#Cc1cccnc1N1CC[NH+](C[C@H]2CC=CCC2)CC1
342594885	ZINC000616962579	ref	4.18	-16.86	0	260.337	1.431	2	2	4	CC(C)[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
365632646	ZINC000122910215	high	7.37	-7.01	0	282.391	2.432	0	4	3	N#Cc1cccnc1N1CCN(C[C@H]2CC=CCC2)CC1
365632630	ZINC000623064931	ref	5.96	-35.35	1	318.421	1.466	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)cn1
365632632	ZINC000623063834	ref	4.98	-66.05	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@H]([C@H](C)[NH3+])C1
398248245	ZINC000182894191	ref	-0.13	-6.69	0	213.277	0.444	2	3	3	O=C(N[C@]1(CO)CCOC1)C1CCCC1
365632633	ZINC000623065061	ref	8.25	-45.69	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1
178300350	ZINC000075934689	ref	9.56	-10.47	0	236.318	3.857	0	2	1	Cc1cc2nc(-c3ccccc3)n(C)c2cc1C
365632636	ZINC000623064816	ref	6.4	-54.33	1	319.796	1.555	1	4	2	C[C@@H]1CN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C[C@@H]1[NH3+]
365632638	ZINC000623063832	ref	4.98	-58.2	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1
365632639	ZINC000623065241	ref	2.72	-56.92	1	309.366	1.523	2	4	4	COc1cc(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc(OC)c1OC
365632642	ZINC000623064687	ref	4.22	-52.95	1	324.356	1.902	1	4	2	C[C@@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@@H]1[NH3+]
178300356	ZINC000062533401	ref	6.55	-7.02	0	241.265	4.251	0	2	1	Cc1cc2nc(-c3ccc(F)cc3)oc2cc1C
230725802	ZINC000450380198	ref	4.57	-10.06	0	301.35	1.539	1	7	6	C[C@H](CO[C@H]1CCOC1)Nc1nccc(-c2cnccn2)n1
365632643	ZINC000623065136	ref	1.69	-50.02	1	316.365	1.214	3	5	5	COCCn1cc(NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)cn1
214183732	ZINC000053455743	ref	7.29	-20.77	0	348.443	2.615	1	4	7	CCN(C(=O)c1ccc(OCC(=O)NC)c(OC)c1)C1CCCCC1
178300361	ZINC000000383236	ref	5.27	-8.27	0	202.257	1.859	0	3	0	Cc1cc2nc(C)c(=O)n(C)c2cc1C
214183735	ZINC000053449614	ref	6.65	-57.87	1	337.376	1.446	2	5	8	COc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1[N+](=O)[O-]
365632645	ZINC000623065136	high	0.31	-13.93	0	316.365	1.214	3	6	5	COCCn1cc(NC(=O)Nc2cnc3c(c2)CNCC3)cn1
178300366	ZINC000104302862	ref	6.15	-45.23	-1	225.251	1.998	0	3	1	Cc1cc2nc(-c3ccccc3)cc(=O)n2[n-]1
365632647	ZINC000623065244	ref	2.36	-65.43	1	309.366	1.523	2	4	4	COc1cc(NC(=O)N2C[C@H](C)[C@@H]([NH3+])C2)cc(OC)c1OC
365632648	ZINC000623065218	ref	8.04	-44.26	1	321.812	1.817	1	4	6	C[NH2+]CCCN(C)C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365632650	ZINC000623064224	ref	3.68	-58.29	1	321.377	1.395	2	4	4	COc1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1OC
178300369	ZINC000104302862	low	6.27	-14.79	0	225.251	1.998	1	3	1	Cc1cc2nc(-c3ccccc3)cc(=O)n2[nH]1
365632649	ZINC000122943328	ref	5.46	-9.86	0	257.341	2.077	0	5	3	CCc1nccn1[C@@H]1CCCN(c2cnccn2)C1
342594886	ZINC000590771648	ref	4.11	-12.71	0	262.334	1.841	1	4	2	CS[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C1
197591592	ZINC000290089092	ref	6.07	-9.49	0	289.4	3.217	2	3	4	Cc1scc(C(=O)N[C@H](C)[C@H](O)c2ccccc2)c1C
365632651	ZINC000122943328	mid	5.93	-31.74	1	257.341	2.077	0	4	3	CCc1[nH+]ccn1[C@@H]1CCCN(c2cnccn2)C1
365632652	ZINC000122854303	ref	9.41	-36.14	1	264.413	2.367	1	1	2	C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+]2CCC3(CCC3)C2)C1
365632654	ZINC000122854303	mid	9.47	-36.51	1	264.413	2.367	1	1	2	C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+]2CCC3(CCC3)C2)C1
365632656	ZINC000122854303	high	6.82	-6.34	0	264.413	2.367	0	2	2	C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC3(CCC3)C2)C1
230725817	ZINC000425425894	ref	0.99	-9.44	0	310.295	2.169	0	5	6	CC[C@H]1CN(Cc2nc(C(F)F)no2)CCN1CC(F)F
365632658	ZINC000122863807	ref	6.04	-12.24	0	260.341	2.024	1	4	6	CCCCn1ncc(C(=O)N[C@H](C#N)C2CC2)c1C
365632661	ZINC000122909994	ref	8.84	-9.69	0	261.369	2.483	0	3	2	C[C@@H]1CCN(C(=O)C2(C)CCC2)C[C@H]1n1ccnc1
365632664	ZINC000122909994	low	9.56	-42.37	1	261.369	2.483	0	2	2	C[C@@H]1CCN(C(=O)C2(C)CCC2)C[C@H]1n1cc[nH+]c1
230725824	ZINC000425425272	ref	2.84	-13.46	0	316.352	2.229	0	5	5	CC[C@H]1CN(C(C)=O)[C@H](CC)CN1Cc1nc(C(F)F)no1
365632666	ZINC000122813458	ref	5.0	-40.26	1	268.788	2.233	2	2	4	C[C@@H](O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1
365632668	ZINC000122813458	high	2.59	-4.28	0	268.788	2.233	1	3	4	C[C@@H](O)CCN1CCN(c2cccc(Cl)c2)CC1
365632670	ZINC000122869380	ref	4.65	-32.69	1	283.375	2.499	1	2	3	CCc1cc(N2CCC(C(N)=O)CC2)c2ccccc2[nH+]1
230725832	ZINC000425429195	ref	6.4	-13.57	0	302.353	2.21	2	3	6	O=C(NCCCn1cccn1)N[C@H]1C[C@@]1(F)c1ccccc1
282122089	ZINC000449152494	ref	5.99	-34.18	1	276.38	2.15	2	2	7	CCOc1cc(C)ccc1CNC(=O)[C@H](C)[NH2+]C1CC1
398248246	ZINC000395034848	high	6.23	-1.79	0	209.72	3.314	1	1	4	C/C=C\CNCc1ccc(Cl)cc1C
282122095	ZINC000449152494	high	4.85	-7.7	0	276.38	2.15	2	3	7	CCOc1cc(C)ccc1CNC(=O)[C@H](C)NC1CC1
365632672	ZINC000122869380	high	4.34	-12.27	0	283.375	2.499	1	3	3	CCc1cc(N2CCC(C(N)=O)CC2)c2ccccc2n1
365632674	ZINC000122907381	ref	5.57	-8.12	0	292.354	2.425	0	3	1	CN1CCCN(C(=O)C2CCOCC2)c2cc(F)ccc21
365632677	ZINC000122909666	ref	8.68	-10.07	0	271.368	2.385	0	5	3	CCc1nccn1[C@H]1CCCN(c2nccc(C)n2)C1
349534447	ZINC000621234509	ref	8.63	-41.48	1	284.444	2.382	1	2	9	CC(C)CCO[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1
349534449	ZINC000621229474	ref	4.97	-10.3	0	277.29	2.437	1	3	4	Cc1cc(C(=O)NCC(C)(C)CC(F)(F)F)nn1C
290623561	ZINC000418675695	ref	5.68	-44.89	1	263.385	1.426	2	1	1	C[C@H]1CC[C@@]2(CCN(C(=O)N[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C2)C1
197591595	ZINC000290089166	ref	4.86	-47.41	1	289.347	2.505	1	3	6	CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(SC(F)F)cc1
365632653	ZINC000623063884	ref	3.46	-48.04	1	302.197	1.197	1	3	1	O=C(c1ncc(Br)s1)N1C[C@@H]2C[NH2+]C[C@@H]2C1
197591596	ZINC000290089166	high	3.64	-6.42	0	289.347	2.505	1	4	6	CO[C@H]1COC[C@@H]1NCc1ccc(SC(F)F)cc1
365632655	ZINC000623063833	ref	4.94	-58.42	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1
349534453	ZINC000621241808	ref	8.84	-57.45	-1	275.348	2.407	1	3	6	CC1CC(CNC(=O)C[C@H](C(=O)[O-])c2ccccc2)C1
365632657	ZINC000623065121	ref	4.17	-50.68	1	316.405	1.401	2	3	3	CC(=O)c1ccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1
365632659	ZINC000623064840	ref	2.89	-47.33	1	303.391	1.954	2	5	3	CC(C)c1nnc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)s1
342088260	ZINC000121391110	ref	2.26	-9.08	0	258.362	1.214	2	3	5	COCC[C@H](C)NC(=O)N1CCC[C@H]([C@@H](C)O)C1
136229109	ZINC000292807547	high	6.68	-4.35	0	214.312	1.614	0	2	4	C#CCN(C)CCN1CCc2ccccc21
365632660	ZINC000623064840	high	1.5	-7.6	0	303.391	1.954	2	6	3	CC(C)c1nnc(C(=O)Nc2cnc3c(c2)CNCC3)s1
365632662	ZINC000623064685	ref	3.98	-48.03	1	324.356	1.902	1	4	2	C[C@@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@H]1[NH3+]
365632663	ZINC000623065059	ref	8.27	-43.06	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1
136229110	ZINC000292836586	ref	3.51	-6.92	0	247.338	1.91	2	3	6	C=CCC[C@H](O)CN1C[C@@H](CO)c2ccccc21
342088261	ZINC000609045952	ref	8.9	-46.92	1	271.43	1.822	1	3	9	CC(C)SCC(=O)N(CCC#N)CCC[NH+](C)C
342088262	ZINC000121519350	ref	9.14	-40.16	1	271.364	1.884	1	3	6	CCc1cccc(CC(=O)NCCc2cncn2C)c1
342088263	ZINC000121519350	low	9.14	-40.16	1	271.364	1.884	1	2	6	CCc1cccc(CC(=O)NCCc2c[nH+]cn2C)c1
342088264	ZINC000121284334	ref	7.3	-13.3	0	265.361	1.63	1	4	3	CC(C)(C)CCCNC(=O)N1CCn2cnnc2C1
342088265	ZINC000600314969	ref	3.97	-16.85	0	281.243	1.484	1	6	5	COC(=O)c1coc(C(=O)Nc2cnn(CCF)c2)c1
342088266	ZINC000046825016	ref	6.39	-13.49	0	287.363	1.543	1	3	4	Cc1cc2ccccc2n1CC(=O)N[C@H](C)C(=O)N(C)C
365632665	ZINC000623064235	ref	2.28	-63.92	1	323.418	1.435	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)cc1
365632667	ZINC000623063885	ref	5.18	-42.74	1	300.362	1.121	2	4	7	CCn1cc(C(=O)C(=O)NCc2ccccc2C[NH2+]C)cn1
365632669	ZINC000623063885	high	3.73	-8.29	0	300.362	1.121	2	5	7	CCn1cc(C(=O)C(=O)NCc2ccccc2CNC)cn1
365632671	ZINC000623064025	ref	2.94	-48.95	1	304.213	1.715	1	3	2	C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ncc(Br)s2)C1
342088267	ZINC000121380947	ref	8.85	-24.08	0	288.307	1.609	1	5	5	Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2cncn2C)c1
342088268	ZINC000121380947	low	9.36	-48.75	1	288.307	1.609	1	4	5	Cc1ccc([N+](=O)[O-])c(C(=O)NCCc2c[nH+]cn2C)c1
342088269	ZINC000121486825	ref	9.47	-43.38	1	296.374	1.813	1	4	5	Cn1cncc1CCNC(=O)Cc1cn(C)c2ccccc12
342088270	ZINC000121486825	low	9.47	-43.38	1	296.374	1.813	1	3	5	Cn1c[nH+]cc1CCNC(=O)Cc1cn(C)c2ccccc12
342088271	ZINC000618611940	ref	4.6	-11.55	0	285.294	1.381	1	4	4	Cc1nn(C)c(C)c1C(=O)C(=O)NC[C@]1(C)CC1(F)F
342088272	ZINC000609045947	ref	6.16	-18.02	0	298.383	1.653	1	3	7	CNC(=O)CCN(C)C(=O)CSCc1ccc(F)cc1
365632673	ZINC000623064259	ref	3.96	-49.49	1	303.362	1.803	2	3	1	[NH3+][C@]12CCC[C@@H]1CN(C(=O)Nc1ccc3c(c1)OCCO3)C2
214183739	ZINC000053449614	mid	4.25	-19.83	0	337.376	1.446	1	6	8	COc1ccc(C(=O)NCCCCN2CCOCC2)cc1[N+](=O)[O-]
365632675	ZINC000623063778	ref	2.21	-11.47	0	316.361	1.427	1	6	4	CCc1nc(C(=O)N2CCNC[C@@H]2c2ccccc2OC)no1
342088273	ZINC000121495498	ref	5.16	-13.5	0	295.427	1.235	1	3	5	CCC(C)(C)NC(=O)CN1CCCN(C(=O)C2CC2)CC1
199272998	ZINC000294963034	mid	2.6	-36.6	-1	281.056	2.143	1	3	2	CC(F)(F)C(=O)Nc1nc(Br)ccc1[O-]
365632676	ZINC000623063778	mid	3.55	-53.31	1	316.361	1.427	1	5	4	CCc1nc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2OC)no1
365632678	ZINC000623064044	ref	2.42	-49.65	1	311.794	1.354	2	4	2	CN(C(=O)c1nc2cc(Cl)ccc2s1)[C@H]1C[NH2+]C[C@@H]1O
365632681	ZINC000623064228	ref	1.43	-63.21	1	311.407	1.291	2	3	3	C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
199273000	ZINC000294964025	ref	8.82	-29.58	1	284.407	3.406	1	3	5	CCCn1nc(C)c(CNc2ccc3c([nH+]2)CCC3)c1C
349534448	ZINC000602429055	mid	5.86	-4.06	0	243.347	1.829	0	4	5	CC[C@](C)(CN1CCCC[C@@H]1C(=O)OC)OC
343994934	ZINC000599274937	mid	3.9	-8.63	0	264.316	1.212	0	4	7	COC(=O)CCCCN1CCN(CC(F)F)CC1
349534450	ZINC000602429417	ref	6.51	-4.94	0	245.363	1.932	0	4	9	CCCN(CC(=O)OC)C[C@@H](OC)[C@H](C)CC
365632679	ZINC000122909666	mid	9.14	-30.34	1	271.368	2.385	0	4	3	CCc1[nH+]ccn1[C@H]1CCCN(c2nccc(C)n2)C1
365632680	ZINC000122871634	ref	7.94	-14.01	0	294.782	2.435	0	3	4	O=C(Cn1c(Cl)cccc1=O)N(C1CCCC1)C1CC1
365632684	ZINC000122827087	ref	6.78	-15.68	0	263.341	2.416	1	4	3	Cc1cc(NC(=O)[C@@H]2CCCCO2)nc(C(C)C)n1
293078000	ZINC000561317281	mid	5.38	-40.54	1	267.398	1.705	2	3	5	C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1nccs1
365632686	ZINC000122819161	ref	6.15	-10.57	0	251.351	2.316	0	2	3	O=S(=O)(C1CC1)N1CCC[C@@H]1c1ccccc1
365632690	ZINC000122814504	ref	6.25	-18.59	0	298.337	2.363	1	4	2	Cc1nc2n(n1)CCC[C@H]2NC(=O)C1CCC(F)(F)CC1
365632692	ZINC000122791882	ref	4.49	-16.62	0	291.395	2.209	3	2	6	CCNC(=O)C(C)(C)CNC(=O)N[C@@H](C)c1ccccc1
365632696	ZINC000122929279	ref	5.7	-12.89	0	290.407	2.321	0	3	5	COCCN(C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C
342594887	ZINC000590771648	mid	4.88	-36.12	-1	262.334	1.841	0	4	2	CS[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1
365632699	ZINC000122929279	mid	8.25	-34.5	1	290.407	2.321	1	2	5	COCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C
365632702	ZINC000122929279	mid	7.94	-38.1	1	290.407	2.321	1	2	5	COCC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@H]1C
365632705	ZINC000122818137	ref	4.96	-7.13	0	266.316	2.035	0	3	3	COCCC(=O)N1CCCN(C)c2ccc(F)cc21
342594888	ZINC000367699729	ref	4.26	-8.91	0	272.348	1.572	2	3	4	C[C@H](CCO)NC(=O)[C@@]1(C#N)CCc2ccccc2C1
365632711	ZINC000122897442	ref	10.16	-51.25	1	270.38	2.487	1	3	4	Cn1cnnc1C[NH2+][C@H]1C[C@@H](c2ccccc2)C1(C)C
365632714	ZINC000122897442	mid	8.94	-10.38	0	270.38	2.487	1	4	4	Cn1cnnc1CN[C@H]1C[C@@H](c2ccccc2)C1(C)C
230725874	ZINC000425428182	ref	5.78	-46.81	1	318.417	2.468	3	3	6	CO[C@H](C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1)C1CC1
365632716	ZINC000122813236	ref	5.0	-40.46	1	268.788	2.233	2	2	4	C[C@H](O)CC[NH+]1CCN(c2cccc(Cl)c2)CC1
343994935	ZINC000139444819	ref	2.22	-7.41	0	156.229	0.564	1	2	3	CCCN1CN[C@H](CC)C1=O
365632719	ZINC000122813236	high	2.59	-4.2	0	268.788	2.233	1	3	4	C[C@H](O)CCN1CCN(c2cccc(Cl)c2)CC1
365632722	ZINC000122896167	ref	5.98	-7.9	0	280.331	2.31	0	5	3	CCOc1ccc2c(c1)CN(c1cnc(C#N)cn1)CC2
178300372	ZINC000226290991	ref	3.64	-9.24	0	239.274	3.817	1	3	1	Cc1cc2nc(-c3ccc(O)cc3)oc2cc1C
365632725	ZINC000122815276	ref	3.07	-4.23	0	268.788	2.233	1	3	4	C[C@H](O)CCN1CCN(c2ccccc2Cl)CC1
365632682	ZINC000617423060	ref	4.55	-16.86	0	287.327	0.881	1	7	5	C=CCCn1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)nn1
178300375	ZINC000359799437	ref	4.82	-10.34	0	238.294	2.878	2	3	3	Cc1cc2n[nH]cc2cc1NCc1cccnc1
398248249	ZINC000069831114	ref	6.29	-5.76	0	220.222	2.972	1	2	3	Fc1ccc(F)c(CNc2ccccn2)c1
365632688	ZINC000617423180	ref	5.6	-22.49	0	272.312	0.857	1	6	2	C[C@@H]1C[C@H](NC(=O)c2cnc3n2CCC3)c2ncnn21
343993732	ZINC000599268176	ref	6.03	-42.56	1	282.428	1.894	1	3	4	CC(C)C[C@H](C(=O)OC(C)(C)C)N1C[C@H]2C[NH2+]C[C@@H]2C1
365632694	ZINC000617415737	ref	0.94	-23.1	0	276.402	0.268	1	4	5	CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCCN(C)C1
365632697	ZINC000617415737	low	3.3	-56.91	1	276.402	0.268	2	3	5	CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](C)C1
398248252	ZINC000069831114	low	6.77	-29.91	1	220.222	2.972	1	1	3	Fc1ccc(F)c(CNc2cccc[nH+]2)c1
178300382	ZINC000360459777	ref	3.94	-15.22	0	240.266	2.452	3	2	2	Cc1cc2n[nH]cc2cc1NC(=O)c1ccc[nH]1
365632700	ZINC000617415737	low	3.83	-60.65	1	276.402	0.268	2	3	5	CC(C)CS(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](C)C1
343993736	ZINC000599268176	low	8.03	-99.14	2	282.428	1.894	2	2	4	CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1
365632703	ZINC000617415814	ref	3.97	-49.14	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[N@H+](C)C1
365632707	ZINC000617415814	mid	3.45	-48.24	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[N@@H+](C)C1
230725869	ZINC000450378715	ref	5.89	-11.76	0	300.322	1.509	1	7	5	N#CCN1CCC(CNc2ncc(C#N)cc2[N+](=O)[O-])CC1
178300387	ZINC000360459777	mid	3.86	-13.5	0	240.266	2.452	3	2	2	Cc1cc2[nH]ncc2cc1NC(=O)c1ccc[nH]1
398248255	ZINC000069831007	ref	6.24	-6.2	0	228.295	3.011	1	3	4	COc1ccc(CNc2ccccn2)cc1C
398248260	ZINC000069831007	low	6.71	-31.18	1	228.295	3.011	1	2	4	COc1ccc(CNc2cccc[nH+]2)cc1C
398248262	ZINC000625698675	ref	5.63	-7.1	0	243.253	3.22	1	2	5	C=CC[C@H](C)NC(=O)c1oc(C(F)F)cc1C
398248264	ZINC000076842694	ref	4.28	-13.71	0	236.271	1.022	0	3	3	CON(C)C(=O)c1ccc(C(=O)N(C)C)cc1
398248268	ZINC000127217448	ref	7.01	-23.19	0	240.263	1.05	0	5	6	CCCCN(C)C(=O)Cn1ccc([N+](=O)[O-])n1
398248272	ZINC000625698691	ref	6.14	-8.82	0	211.305	1.882	1	2	7	C=CC[C@@H](C)NC(=O)[C@@H](OCC)C1CC1
133428326	ZINC000306483832	ref	4.49	-8.67	0	182.267	1.612	1	1	2	C=C[C@H](C)NC(=O)N1CC[C@@H](C)C1
365632709	ZINC000617415814	mid	1.08	-11.87	0	279.34	0.608	2	4	4	C[C@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCCN(C)C1
398248275	ZINC000076847263	ref	4.72	-11.85	0	208.261	1.755	1	3	5	CCOCCC(=O)Nc1ncccc1C
365632683	ZINC000623065091	ref	4.4	-49.41	1	311.382	1.786	2	4	8	C[NH2+]CCCN(C)C(=O)Nc1cc(OC)c(OC)c(OC)c1
365632685	ZINC000623064231	ref	1.4	-57.46	1	311.407	1.291	2	3	3	C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365632687	ZINC000623065237	ref	2.71	-50.2	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)no1
197591605	ZINC000290088489	ref	4.05	-11.16	0	272.356	1.1	1	6	5	Cn1ncc(CNCc2ccc(N3CCCC3)nc2)n1
197591606	ZINC000290088489	low	5.41	-48.81	1	272.356	1.1	1	5	5	Cn1ncc(C[NH2+]Cc2ccc(N3CCCC3)nc2)n1
342594889	ZINC000590772547	ref	10.33	-11.03	0	288.399	1.78	1	5	5	CC(C)c1cc(N(C)CC[NH+]2CCCC2)n2ncnc2n1
342594890	ZINC000590772547	high	10.33	-11.03	0	288.399	1.78	0	6	5	CC(C)c1cc(N(C)CCN2CCCC2)n2ncnc2n1
365632689	ZINC000623064815	ref	6.16	-54.89	1	319.796	1.555	1	4	2	C[C@H]1CN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C[C@H]1[NH3+]
197591609	ZINC000290088973	ref	4.36	-51.66	1	271.311	1.754	2	2	7	CC[C@@H](C)NC(=O)CC[NH2+]Cc1cc(F)ncc1F
230725870	ZINC000414281948	ref	7.55	-43.49	1	314.404	3.428	2	2	7	OC[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCC1)c1ccc(F)cc1
230725873	ZINC000414281956	ref	8.83	-46.59	1	313.445	3.396	1	3	6	C[C@@H]1O[C@H](C)C[C@@H]1C[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1
365632691	ZINC000623065261	ref	6.3	-43.29	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1
197591610	ZINC000290088973	mid	3.01	-9.23	0	271.311	1.754	2	3	7	CC[C@@H](C)NC(=O)CCNCc1cc(F)ncc1F
342594891	ZINC000616962497	ref	2.45	-17.46	0	272.757	1.51	2	3	3	C[C@H](C(=O)N[C@H]1CCNC1=O)c1ccc(Cl)s1
365632693	ZINC000623064022	ref	2.75	-51.31	1	304.213	1.715	1	3	2	C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ncc(Br)s2)C1
365632695	ZINC000623065236	ref	2.72	-49.91	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)no1
365632698	ZINC000623065185	ref	2.4	-42.64	1	308.382	1.21	1	5	4	COCc1nc(C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)no1
342594892	ZINC000590772115	ref	7.42	-19.34	0	291.395	1.978	1	3	4	N#CC[C@@H]1CC[C@H](NC(=O)CN2CCCCCCC2=O)C1
342594893	ZINC000590771759	ref	5.1	-10.09	0	252.339	1.668	0	4	3	COc1ccnc(C(=O)N2CC[C@@H](SC)C2)c1
230725891	ZINC000414281958	ref	9.1	-47.83	1	313.445	3.396	1	3	6	C[C@@H]1C[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)[C@@H](C)O1
349534451	ZINC000621491798	ref	6.6	-9.53	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2CC(C)(C)C[C@@H]2C)c1
230725872	ZINC000450385669	ref	4.35	-9.0	0	300.443	1.794	2	3	8	CCN(CCCO)C(=O)[C@H](CC(C)C)NC(=O)C(C)(C)C
365632701	ZINC000623064813	ref	6.15	-49.99	1	319.796	1.555	1	4	2	C[C@@H]1CN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C[C@H]1[NH3+]
282122093	ZINC000331755331	ref	3.74	-38.5	1	339.436	-0.151	2	4	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)CCO1
282122112	ZINC000331755331	high	1.2	-6.92	0	339.436	-0.151	1	5	3	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)CCO1
342088274	ZINC000121495498	low	7.26	-44.84	1	295.427	1.235	2	2	5	CCC(C)(C)NC(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1
342088275	ZINC000121495498	low	7.26	-42.78	1	295.427	1.235	2	2	5	CCC(C)(C)NC(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1
365632704	ZINC000623065255	ref	2.69	-57.7	1	316.361	1.176	3	3	3	CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
365632706	ZINC000623065255	mid	1.35	-9.73	0	316.361	1.176	3	4	3	CCC[C@@H]1CNCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
342088276	ZINC000121184043	ref	4.94	-51.63	1	276.315	1.351	2	3	6	C[NH2+]CCCNC(=O)c1cnn(-c2ccccc2F)c1
365632708	ZINC000623065255	high	-0.46	-45.44	-1	316.361	1.176	2	4	3	CCC[C@@H]1CNCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365632710	ZINC000623065184	ref	2.51	-42.81	1	308.382	1.21	1	5	4	COCc1nc(C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)no1
365632712	ZINC000623064106	ref	0.74	-12.65	0	302.334	1.606	2	6	4	COCc1nc(C(=O)N[C@@H]2CCCc3cc(N)ccc32)no1
365632715	ZINC000623065187	ref	2.36	-34.01	1	308.382	1.21	1	5	4	COCc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)no1
365632718	ZINC000623064230	ref	1.43	-62.97	1	311.407	1.291	2	3	3	C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365632720	ZINC000623063835	ref	5.0	-65.77	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1
365632723	ZINC000623065047	ref	7.9	-36.89	1	317.437	1.687	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1
365632727	ZINC000623064324	ref	4.97	-48.0	1	319.796	1.747	2	4	4	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NCC1([NH3+])CCC1
365632729	ZINC000623064138	ref	3.08	-51.63	1	316.224	1.859	1	3	1	[NH3+][C@@]12CCC[C@@H]1CN(C(=O)c1ncc(Br)s1)C2
365632732	ZINC000623065186	ref	2.47	-33.43	1	308.382	1.21	1	5	4	COCc1nc(C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)no1
349534452	ZINC000602429417	mid	7.66	-37.82	1	245.363	1.932	1	3	9	CCC[N@@H+](CC(=O)OC)C[C@@H](OC)[C@H](C)CC
365632735	ZINC000623064824	ref	4.05	-42.45	1	316.224	1.874	1	3	1	O=C(c1ncc(Br)s1)N1CCC2(CC[NH2+]2)CC1
365632713	ZINC000617423467	ref	3.84	-17.88	0	290.331	0.455	1	8	2	C[C@H]1C[C@H](NC(=O)c2nnn(C(C)(C)C)n2)c2ncnn21
365632717	ZINC000617422729	ref	5.21	-18.59	0	283.295	0.937	2	6	2	C[C@H]1C[C@H](NC(=O)c2ncnc3[nH]ccc23)c2ncnn21
230725890	ZINC000425425271	ref	3.48	-14.58	0	316.352	2.229	0	5	5	CC[C@H]1CN(C(C)=O)[C@@H](CC)CN1Cc1nc(C(F)F)no1
178300378	ZINC000237164499	ref	5.77	-51.09	1	374.485	1.452	2	5	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1
178300380	ZINC000237164499	high	4.48	-12.37	0	374.485	1.452	2	6	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)CC1
365632721	ZINC000617415478	ref	1.49	-13.32	0	290.429	0.658	1	4	6	CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCCN(C)C1
365632724	ZINC000617415478	low	3.86	-47.55	1	290.429	0.658	2	3	6	CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@H+](C)C1
178300383	ZINC000237173537	ref	3.48	-50.15	1	365.908	1.09	1	4	5	C[NH2+]C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)s2)CC1
365632726	ZINC000617415478	low	4.39	-48.6	1	290.429	0.658	2	3	6	CC(C)CS(=O)(=O)CCC(=O)N[C@@H]1CCC[N@@H+](C)C1
178300385	ZINC000237163891	ref	5.43	-46.45	1	374.485	1.31	2	5	6	COC(=O)CN1CCN(c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1
365632730	ZINC000617415711	ref	1.35	-23.53	0	288.413	0.554	1	4	4	CN1CCC[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)C1
178300390	ZINC000237155375	ref	5.77	-47.51	1	365.449	1.225	2	3	8	COCC[NH2+]CC(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1
282122094	ZINC000151644106	ref	5.78	-38.18	1	305.422	2.458	3	2	6	CC[N@H+](CCNC(=O)N[C@@H]1COc2ccc(C)cc21)C(C)C
282122099	ZINC000151644106	mid	5.69	-38.32	1	305.422	2.458	3	2	6	CC[N@@H+](CCNC(=O)N[C@@H]1COc2ccc(C)cc21)C(C)C
230725909	ZINC000425426357	ref	3.77	-8.13	0	309.316	2.451	0	5	5	FC(F)c1noc(CN2CCOC[C@H]2Cc2ccccc2)n1
365632733	ZINC000617415711	low	4.25	-62.06	1	288.413	0.554	2	3	4	C[N@@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)C1
178300394	ZINC000237155375	high	4.43	-14.62	0	365.449	1.225	2	4	8	COCCNCC(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1
178300397	ZINC000237162784	ref	4.13	-44.71	1	354.52	1.321	1	5	7	COCC[NH2+]CC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1
178300402	ZINC000237162784	high	2.78	-11.77	0	354.52	1.321	1	6	7	COCCNCC(=O)N1CCN(Cc2csc(C(C)(C)C)n2)CC1
349534454	ZINC000602429417	mid	7.64	-36.49	1	245.363	1.932	1	3	9	CCC[N@H+](CC(=O)OC)C[C@@H](OC)[C@H](C)CC
365632737	ZINC000617415711	low	3.71	-57.93	1	288.413	0.554	2	3	4	C[N@H+]1CCC[C@@H](NC(=O)CS(=O)(=O)C2CCCC2)C1
190493340	ZINC000269427327	ref	7.27	-16.25	0	296.33	2.419	2	4	4	O=C(Nc1cc(C2CC2)[nH]n1)[C@@H]1CC(c2ccccc2)=NO1
342594894	ZINC000590772022	ref	6.06	-9.73	0	265.382	1.866	1	3	2	CS[C@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1
365632728	ZINC000122815276	mid	5.46	-36.43	1	268.788	2.233	2	2	4	C[C@H](O)CC[NH+]1CCN(c2ccccc2Cl)CC1
365632731	ZINC000122813708	ref	5.0	-40.98	1	268.788	2.233	2	2	4	C[C@H](O)CC[NH+]1CCN(c2ccc(Cl)cc2)CC1
365632734	ZINC000122813708	high	2.6	-4.16	0	268.788	2.233	1	3	4	C[C@H](O)CCN1CCN(c2ccc(Cl)cc2)CC1
365632736	ZINC000122936014	ref	4.03	-9.21	0	267.394	2.333	0	3	4	C[C@H]1CC[C@H](C)N1CCS(=O)(=O)c1ccccc1
349534455	ZINC000621234315	ref	7.42	-14.33	0	295.427	2.363	1	2	6	CCCCN(C(=O)CN1CCCNC1=O)C1CCCCC1
365632741	ZINC000122936014	mid	6.14	-42.1	1	267.394	2.333	1	2	4	C[C@H]1CC[C@H](C)[NH+]1CCS(=O)(=O)c1ccccc1
365632745	ZINC000122882274	ref	5.34	-9.29	0	286.31	2.102	0	4	1	CN1CCCN(C(=O)c2cnccn2)c2cc(F)ccc21
365632748	ZINC000122913740	ref	4.87	-7.51	0	266.341	2.485	1	4	4	CO[C@@H]1CCCC[C@H]1NC(=O)c1cc(C(C)C)on1
349534458	ZINC000621241708	ref	6.11	-50.35	-1	263.284	2.039	1	3	7	CC(C)(CC(=O)[O-])CC(=O)NCC[C@@H]1CC1(F)F
168364670	ZINC000003651177	ref	3.85	-44.55	1	177.247	1.511	1	1	2	C[C@@H]([NH3+])Cc1ccc2c(c1)CCO2
168364672	ZINC000044461526	ref	1.79	-36.5	1	185.654	1.935	2	1	2	C[C@@H]([NH3+])Cc1ccc(O)cc1Cl
365632752	ZINC000122805278	ref	6.64	-19.96	0	277.368	2.039	1	3	2	CC[C@]1(C)CCCN(C(=O)c2nc(C)c(C)[nH]c2=O)C1
342594895	ZINC000590771945	ref	6.88	-17.24	0	266.366	1.202	0	4	4	CS[C@@H]1CCN(C(=O)CCn2ccccc2=O)C1
365632755	ZINC000122920369	ref	9.37	-41.31	1	291.439	2.448	2	1	5	C#CCN(C(=O)NC1CC[NH+](CCC)CC1)C1CCCC1
282122100	ZINC000449153128	ref	4.21	-36.17	1	281.396	2.208	2	3	10	COC[C@@H](CCO)[NH2+]Cc1ccccc1OCC(C)C
282122105	ZINC000449153128	high	2.81	-5.75	0	281.396	2.208	2	4	10	COC[C@@H](CCO)NCc1ccccc1OCC(C)C
282122108	ZINC000449153284	ref	4.1	-39.02	1	284.444	2.07	3	2	7	C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1(CCO)CCCC1
365632761	ZINC000122947827	ref	6.7	-11.85	0	298.39	2.084	1	4	3	CC1(C)C[C@H]1C(=O)NC1CCN(c2ccc(C#N)cn2)CC1
185087502	ZINC000096072074	ref	3.14	-10.72	0	265.357	1.427	1	4	5	COCC[C@H]1CO[C@@]2(CCN(Cc3c[nH]cn3)C2)C1
168364675	ZINC000082755288	ref	-1.18	-51.49	1	121.205	-0.288	1	1	2	C[C@@H]([NH3+])C[S@@](C)=O
259309353	ZINC000323003377	high	3.41	-5.92	0	225.336	1.633	1	4	6	CC[C@@](C)(CNCc1cnn(C)c1C)OC
365632766	ZINC000122909630	ref	9.14	-12.47	0	261.369	2.483	0	3	2	C[C@@H]1CCN(C(=O)C2(C)CCC2)C[C@@H]1n1ccnc1
398248250	ZINC000182891447	ref	4.4	-21.2	0	243.372	1.306	1	2	6	C[C@H](C[S@@](C)=O)NC(=O)C(C1CC1)C1CC1
343993738	ZINC000599269593	ref	6.62	-44.35	1	287.4	1.438	2	4	8	CCOC(=O)C[C@H](O)C[NH+]1CCC(OCC(C)C)CC1
365632738	ZINC000623064845	ref	2.86	-54.69	1	315.377	1.454	3	4	6	COCCn1cc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)cn1
343993741	ZINC000599269593	high	4.31	-8.88	0	287.4	1.438	1	5	8	CCOC(=O)C[C@H](O)CN1CCC(OCC(C)C)CC1
343993746	ZINC000599268416	ref	2.96	-11.6	0	291.298	1.024	1	6	8	CCOC(=O)C[C@@H](O)CN(C)Cc1nccn1C(F)F
343993749	ZINC000599268416	low	5.4	-46.08	1	291.298	1.024	2	5	8	CCOC(=O)C[C@@H](O)C[N@H+](C)Cc1nccn1C(F)F
343993753	ZINC000599268416	low	5.19	-47.08	1	291.298	1.024	2	5	8	CCOC(=O)C[C@@H](O)C[N@@H+](C)Cc1nccn1C(F)F
136229111	ZINC000184903370	ref	2.9	-9.19	0	210.277	0.547	1	2	3	C=C(C)C[C@H](C)C(=O)N1CCNC(=O)C1
343993755	ZINC000599270666	ref	3.92	-15.82	0	286.397	1.509	0	4	3	CC1(C)C[C@@H](S(=O)(=O)N2CCC(CC#N)CC2)CO1
343993761	ZINC000599270675	ref	8.17	-9.69	0	283.368	1.602	0	4	8	CCO[C@@H](C(=O)N(C[C@H](C)C(=O)OC)C1CC1)C1CC1
282122104	ZINC000151653021	ref	7.02	-9.11	0	320.78	2.061	1	4	4	CCN(Cc1ccccc1Cl)C(=O)C(=O)Nc1ccnn1C
295666218	ZINC000412988073	ref	5.53	-15.35	0	324.34	2.997	1	6	5	Cc1nc(-c2ccc(OCc3cc(=O)[nH]c(C4CC4)n3)cc2)no1
282122111	ZINC000151643015	ref	6.77	-13.27	0	322.453	2.347	1	4	7	Cc1cc(C)n(CCCNC(=O)N2CC[C@H](OCC(C)C)C2)n1
398248254	ZINC000380255802	ref	-0.07	-39.69	-1	237.277	-0.585	1	5	5	CCS(=O)(=O)N[C@H](C(=O)[O-])[C@H]1CCOC1
398248257	ZINC000361805672	ref	6.06	-39.79	1	243.391	2.593	1	2	5	CO[C@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)C(C)C
282122129	ZINC000151662806	ref	6.21	-8.23	0	322.474	2.316	1	4	6	Cc1cccc(OC[C@@H](C)NC(=O)[C@@H](C)N2CCSCC2)c1
282122138	ZINC000151662806	mid	8.1	-37.5	1	322.474	2.316	2	3	6	Cc1cccc(OC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCSCC2)c1
282122143	ZINC000151662574	ref	7.0	-10.67	0	304.419	2.37	0	5	6	CC(C)N(CCc1nccs1)C(=O)/C=C/c1ccnn1C
282122154	ZINC000151658848	ref	5.28	-12.1	0	323.458	2.134	2	4	7	Cc1ccc(CSCC(=O)NCC2(CO)CCOCC2)cc1
342088277	ZINC000121441637	ref	6.09	-18.12	0	295.289	1.994	1	4	6	Cn1cncc1CCNC(=O)c1ccc(OC(F)F)cc1
282122167	ZINC000151658518	ref	4.54	-12.19	0	303.337	2.489	2	3	7	O=C(NCCCOc1ccccc1)NCc1ncccc1F
343993764	ZINC000599268676	ref	7.51	-42.72	1	258.362	1.13	1	3	9	CCC[N@H+](CCCCC(=O)OC)CC(=O)N(C)C
398248261	ZINC000182895943	ref	2.74	-19.57	0	219.35	1.306	1	2	4	C[C@H](C[S@@](C)=O)NC(=O)CC(C)(C)C
282122109	ZINC000533469213	ref	5.62	-6.69	0	292.383	1.926	2	4	5	CC(C)CCn1nccc1NC(=O)C(=O)NC1CCCC1
342088278	ZINC000121441637	low	6.6	-43.5	1	295.289	1.994	1	3	6	Cn1c[nH+]cc1CCNC(=O)c1ccc(OC(F)F)cc1
282122113	ZINC000533469631	ref	1.48	-9.12	0	296.392	1.507	3	4	6	O=C(NCC1(CO)COC1)N[C@@H](c1cccs1)C1CC1
349534456	ZINC000621493472	ref	7.26	-9.42	0	286.366	3.3	2	1	5	O=C(NCC[C@H]1CC1(F)F)N[C@@H]1CCC[C@H](C2CC2)C1
214183745	ZINC000278484155	ref	6.15	-7.98	0	323.824	2.49	1	4	3	C[C@@H]1COCC[C@H]1NC(=O)c1cc(Cl)nc(N2CCCC2)c1
190493344	ZINC000269427511	ref	1.32	-21.79	0	252.274	-0.124	2	5	4	NC(=O)Cn1ccc(NC(=O)[C@@H]2CCCCO2)n1
342088279	ZINC000121437689	ref	5.19	-23.43	0	297.424	1.46	0	4	5	CN(C(=O)C[S@@](=O)Cc1ccnn1C)C1CCCCC1
349535947	ZINC000602431273	ref	5.1	-45.73	1	233.315	1.033	1	2	1	N#CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1
214183748	ZINC000278484734	ref	3.67	-16.05	0	300.347	1.247	0	7	1	Cc1nc2n(n1)CCN(C(=O)c1nc3cccnc3s1)C2
282122117	ZINC000533469445	ref	1.98	-12.65	0	298.305	1.368	2	3	5	C[C@@H](O)[C@H]1CCCN(C(=O)NCCOCC(F)(F)F)C1
282122122	ZINC000533468713	ref	6.0	-18.93	0	280.335	1.584	1	6	3	c1cn2c(n1)[C@H](CNc1ccc3nccnc3n1)CCC2
282122124	ZINC000533468713	mid	6.58	-38.05	1	280.335	1.584	1	5	3	c1cnc2nc(NC[C@@H]3CCCn4cc[nH+]c43)ccc2n1
214183762	ZINC000278483245	ref	9.52	-53.79	1	302.462	3.417	1	1	6	C[C@H](CC[NH2+][C@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1
342088280	ZINC000621363066	ref	4.24	-33.23	1	268.401	1.384	3	2	4	C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342088281	ZINC000621363066	mid	4.0	-35.07	1	268.401	1.384	3	2	4	C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342088282	ZINC000621363066	high	1.85	-8.86	0	268.401	1.384	2	3	4	C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](C)[C@@H](CO)C1
214183769	ZINC000278484518	ref	3.01	-5.97	0	304.232	2.021	1	4	4	CN(Cc1c(Br)cnn1C)[C@H](CO)C(C)(C)C
342088283	ZINC000621363509	ref	6.11	-32.64	1	282.428	1.728	2	2	3	C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1
214183772	ZINC000278484518	low	4.51	-37.0	1	304.232	2.021	2	3	4	Cn1ncc(Br)c1C[N@H+](C)[C@H](CO)C(C)(C)C
214183774	ZINC000278484518	low	4.16	-33.47	1	304.232	2.021	2	3	4	Cn1ncc(Br)c1C[N@@H+](C)[C@H](CO)C(C)(C)C
259309354	ZINC000394184600	ref	4.25	-44.49	-1	239.275	0.851	2	6	6	CC(C)[C@@H](CO)CNc1ncc(C(=O)[O-])cn1
342088284	ZINC000621363509	mid	6.02	-34.25	1	282.428	1.728	2	2	3	C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](C)[C@H](CO)C1
343994936	ZINC000235536494	ref	-1.08	-9.4	0	214.656	0.603	3	4	3	C[C@H](Nc1ncc(N)cc1Cl)C(N)=O
365632739	ZINC000617415709	ref	7.15	-44.76	1	259.313	0.553	2	4	2	C[N@@H+]1CCC[C@H](NC(=O)c2cn3cccnc3n2)C1
365632742	ZINC000617415709	mid	7.68	-43.27	1	259.313	0.553	2	4	2	C[N@H+]1CCC[C@H](NC(=O)c2cn3cccnc3n2)C1
365632744	ZINC000617415709	mid	4.8	-15.18	0	259.313	0.553	1	5	2	CN1CCC[C@H](NC(=O)c2cn3cccnc3n2)C1
365632746	ZINC000617423708	ref	3.17	-17.53	0	273.3	0.225	2	7	2	Cc1ncc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c(N)n1
365632750	ZINC000617422731	ref	5.21	-18.6	0	283.295	0.937	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2ncnc3[nH]ccc23)c2ncnn21
365632753	ZINC000617423696	ref	4.88	-16.8	0	299.338	0.794	2	7	3	C[C@@H]1C[C@H](NC(=O)c2cnc(C3CC3)nc2N)c2ncnn21
365632757	ZINC000617423466	ref	3.82	-17.99	0	290.331	0.455	1	8	2	C[C@@H]1C[C@H](NC(=O)c2nnn(C(C)(C)C)n2)c2ncnn21
365632759	ZINC000617415816	ref	3.45	-48.23	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCC[N@H+](C)C1
282122114	ZINC000449153033	ref	4.3	-41.52	1	255.402	2.188	2	2	4	C[C@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](O)C1CCOCC1
197591622	ZINC000290089896	ref	2.95	-50.55	1	291.351	0.466	2	3	3	C[C@H](NC(=O)c1ccoc1)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1
282122118	ZINC000449153194	ref	8.47	-55.81	1	270.38	2.327	1	3	6	CCn1nnc(C)c1C[NH2+][C@@H]1C[C@@H]1Cc1ccccc1
365632760	ZINC000617415816	mid	3.97	-49.16	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1
365632762	ZINC000617415816	mid	1.09	-11.85	0	279.34	0.608	2	4	4	C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCCN(C)C1
365632764	ZINC000617424604	ref	3.74	-22.47	0	298.306	0.604	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)c2ncnn21
365632771	ZINC000617423547	ref	3.79	-17.15	0	273.3	0.491	1	7	4	C=CCn1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)nn1
365632775	ZINC000617423389	ref	3.67	-17.72	0	282.344	0.843	1	6	8	COCCCOCCC(=O)N[C@H]1C[C@H](C)n2ncnc21
365632778	ZINC000617415480	ref	5.58	-45.64	1	281.4	0.892	3	2	4	C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1
432002724	ZINC000061895130	ref	7.26	-56.63	-1	322.445	3.414	1	4	3	C[C@@]1(CCC(=O)[O-])C(=O)CC[C@@H]2[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]21
282122123	ZINC000449153194	high	7.1	-9.5	0	270.38	2.327	1	4	6	CCn1nnc(C)c1CN[C@@H]1C[C@@H]1Cc1ccccc1
342088285	ZINC000621363509	high	3.99	-9.27	0	282.428	1.728	1	3	3	C[C@@H](C(=O)N1CCCCCC1)N1CC[C@@H](C)[C@H](CO)C1
342088286	ZINC000121401213	ref	6.45	-38.1	1	292.423	1.982	2	2	5	O=C(CC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CCCC1
365632740	ZINC000623064845	high	1.38	-12.68	0	315.377	1.454	3	5	6	COCCn1cc(NC(=O)NCc2ccc3c(c2)CNC3)cn1
214183742	ZINC000053457390	ref	7.11	-12.8	0	343.88	1.914	0	4	4	CC(=O)N1CCCN(CC(=O)N(C)Cc2ccc(Cl)s2)CC1
214183744	ZINC000053457390	low	8.73	-42.27	1	343.88	1.914	1	3	4	CC(=O)N1CCC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1
214183746	ZINC000053457390	low	8.74	-42.54	1	343.88	1.914	1	3	4	CC(=O)N1CCC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)CC1
214183749	ZINC000053452232	ref	4.01	-10.6	0	328.463	1.456	1	6	5	Cc1nnc(SCC(=O)N[C@@H](C)C(=O)N2CCCCC2)s1
342594896	ZINC000590772143	ref	7.87	-20.46	0	269.308	1.541	1	5	3	N#CC[C@@H]1CC[C@H](NC(=O)c2cn3cccnc3n2)C1
398248251	ZINC000645410494	ref	6.57	-4.62	0	231.343	2.944	0	3	2	Cc1nccc(N2CCCC[C@@H]2C2CCC2)n1
342594897	ZINC000590772690	ref	4.08	-22.05	0	279.361	1.427	0	3	4	C[S@](=O)c1cccc(C(=O)N(C2CC2)C2COC2)c1
342594898	ZINC000590771733	ref	5.66	-8.23	0	253.371	1.94	1	3	4	CCCc1cc(C(=O)N2CC[C@@H](SC)C2)[nH]n1
342594899	ZINC000590771733	mid	5.77	-8.99	0	253.371	1.94	1	3	4	CCCc1cc(C(=O)N2CC[C@@H](SC)C2)n[nH]1
214183753	ZINC000053457568	ref	7.63	-16.7	0	348.805	4.319	2	2	5	CC[C@@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)c1cccc(Cl)c1
342594900	ZINC000590772362	ref	5.35	-13.75	0	299.33	1.683	1	5	5	COC(=O)c1ccc(CC(=O)N[C@H](C)c2cnccn2)cc1
197591629	ZINC000290090304	ref	1.44	-10.69	0	265.338	1.884	1	6	5	COc1ccc(CN(C)Cc2cnns2)cc1O
342594901	ZINC000590771947	ref	6.88	-17.88	0	266.366	1.202	0	4	4	CS[C@H]1CCN(C(=O)CCn2ccccc2=O)C1
214183754	ZINC000053458439	ref	4.7	-14.02	0	347.44	2.064	2	4	4	CNS(=O)(=O)c1cc(C(=O)Nc2cccc3c2CCCC3)n(C)c1
214183758	ZINC000053461153	ref	8.49	-10.08	0	334.803	2.981	0	4	4	CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cn1C
214183761	ZINC000053448532	ref	4.43	-21.4	0	347.4	1.06	0	8	2	Cc1noc(C2CCN(C(=O)c3cnc4n(c3=O)CCS4)CC2)n1
214183764	ZINC000053455844	ref	8.33	-10.61	0	346.789	3.148	1	2	4	O=C(NCc1cccc(F)c1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O
214183767	ZINC000053457368	ref	9.56	-51.15	1	343.427	1.617	1	3	5	CC(=O)N1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)CC1
342594902	ZINC000616962590	ref	2.51	-17.09	0	252.701	1.267	2	2	2	Cc1cc(C(=O)N[C@H]2CCNC2=O)ccc1Cl
342594903	ZINC000616962692	ref	3.64	-21.53	0	288.347	1.65	2	3	5	CC(C)=CCOc1cccc(C(=O)N[C@H]2CCNC2=O)c1
136229112	ZINC000343328044	ref	2.85	-12.55	0	214.294	0.653	2	4	4	CSCC(=O)N[C@@H](C)c1nnc(C)[nH]1
365632743	ZINC000623063991	ref	3.87	-51.24	1	300.362	1.422	2	4	6	CCn1cc(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)cn1
342088287	ZINC000025304031	ref	8.12	-18.49	0	280.331	1.964	0	4	4	CN(Cc1cnn(C)c1)C(=O)/C=C/c1cccc(C#N)c1
342088288	ZINC000621363510	ref	6.1	-36.0	1	282.428	1.728	2	2	3	C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1CO
342088289	ZINC000621363510	mid	6.01	-31.99	1	282.428	1.728	2	2	3	C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@H]1CO
342088290	ZINC000621363510	high	3.83	-9.19	0	282.428	1.728	1	3	3	C[C@@H]1CCN([C@H](C)C(=O)N2CCCCCC2)C[C@H]1CO
342088291	ZINC000121433180	ref	4.5	-11.59	0	270.373	1.175	1	3	5	COC[C@@H](NC(=O)[C@@H]1CCCCN1C(C)=O)C(C)C
342088292	ZINC000121384241	ref	5.37	-18.17	0	294.399	1.021	2	4	7	Cn1cncc1CCNC(=O)CCCNC(=O)C(C)(C)C
342088293	ZINC000121384241	low	5.88	-43.14	1	294.399	1.021	2	3	7	Cn1c[nH+]cc1CCNC(=O)CCCNC(=O)C(C)(C)C
365632747	ZINC000623063551	ref	2.49	-61.12	1	301.35	1.938	2	4	3	C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
365632749	ZINC000623065062	ref	8.24	-42.86	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1
342088294	ZINC000121445154	ref	8.06	-26.55	0	298.346	1.418	1	5	6	C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1cncn1C
342088295	ZINC000121445154	low	8.58	-50.65	1	298.346	1.418	1	4	6	C[C@@H](Oc1ccccc1C#N)C(=O)NCCc1c[nH+]cn1C
342088296	ZINC000121256023	ref	5.74	-13.93	0	290.371	1.03	1	6	7	CC(C)CCn1cc(C(=O)NCCc2cncn2C)nn1
365632751	ZINC000623064245	ref	1.73	-44.76	-1	319.39	1.147	1	5	2	COc1ccccc1[C@@H]1CNCCN1C(=O)N=c1[n-]ncs1
342088297	ZINC000121256023	low	6.25	-38.51	1	290.371	1.03	1	5	7	CC(C)CCn1cc(C(=O)NCCc2c[nH+]cn2C)nn1
342088298	ZINC000121494879	ref	4.14	-11.37	0	284.363	1.806	2	3	4	O=C(NC1CC1)[C@H]1CCCN1Cc1nc2ccccc2[nH]1
365632754	ZINC000623064245	mid	3.04	-63.18	0	319.39	1.147	1	4	2	COc1ccccc1[C@@H]1C[NH2+]CCN1C(=O)N=c1[n-]ncs1
365632756	ZINC000623064758	ref	6.34	-51.18	1	303.37	1.044	2	5	6	C[NH2+]CCCN(C)C(=O)Nc1cc(-n2cnnn2)ccc1C
342088299	ZINC000121494879	low	6.34	-39.79	1	284.363	1.806	3	2	4	O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1
178305382	ZINC000019404324	ref	6.56	-49.21	1	243.354	3.096	1	2	1	Cc1cc2ncn([C@@H]3CCCC[C@@H]3[NH3+])c2cc1C
343994939	ZINC000139481094	ref	2.15	-8.15	0	154.213	0.318	1	2	2	CCCN1CNC2(CC2)C1=O
282122120	ZINC000248970069	ref	6.43	-58.39	1	320.437	1.465	1	5	4	CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(C)nn3C2)C12CCOCC2
342594904	ZINC000590772565	ref	6.57	-18.32	0	296.334	1.481	0	7	2	COc1ccc2c(c1)CCCN(c1ccc3nnnn3n1)C2
342594905	ZINC000616962546	ref	2.41	-16.49	0	250.298	1.023	2	3	4	CCc1cc(C(=O)N[C@@H]2CCNC2=O)oc1CC
349534457	ZINC000602429136	ref	2.6	-8.66	0	216.244	1.127	2	4	2	N#CC1(C(=O)Nc2ccc(N)nc2)CCC1
282122130	ZINC000248969615	ref	3.36	-8.09	0	300.399	1.831	2	4	5	CO[C@H](C)CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
342594906	ZINC000590771653	ref	2.52	-7.32	0	256.327	1.651	0	5	4	CCOc1nc(C(=O)N2CC[C@H](SC)C2)co1
342594907	ZINC000590772021	ref	6.06	-9.71	0	265.382	1.866	1	3	2	CS[C@@H]1CCN(C(=O)c2n[nH]c3c2CCCC3)C1
282122136	ZINC000248970291	ref	6.19	-13.26	0	316.401	1.807	2	3	4	C[C@@H]1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)[C@H]1CO
230725956	ZINC000425423973	ref	5.73	-12.71	0	305.334	2.201	2	4	5	COc1ccc([N+](=O)[O-])cc1CNC(=O)N[C@H]1C[C@@H]2C[C@@H]2C1
365632758	ZINC000623065030	ref	2.75	-56.98	1	323.418	1.45	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CCC3(CC[NH2+]3)CC2)cc1
197591637	ZINC000290089098	ref	6.11	-9.5	0	289.4	3.217	2	3	4	Cc1scc(C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c1C
342594908	ZINC000590771623	ref	8.03	-14.56	0	293.388	1.98	0	4	4	COC(=O)Cc1cccc(C(=O)N2CC[C@H](SC)C2)c1
349534460	ZINC000602429136	low	3.07	-36.11	1	216.244	1.127	2	3	2	N#CC1(C(=O)Nc2ccc(N)[nH+]c2)CCC1
342594909	ZINC000590771960	ref	2.67	-12.63	0	274.324	1.687	1	5	5	CCOc1cnc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)cn1
342594910	ZINC000616962498	ref	2.45	-18.53	0	272.757	1.51	2	3	3	C[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(Cl)s1
365632763	ZINC000623064140	ref	4.52	-41.21	1	316.224	1.872	1	3	3	O=C(c1ncc(Br)s1)N(C1CC1)[C@@H]1CC[NH2+]C1
365632765	ZINC000623064137	ref	3.61	-41.03	1	316.224	1.859	1	3	1	[NH3+][C@]12CCC[C@@H]1CN(C(=O)c1ncc(Br)s1)C2
342594911	ZINC000590771732	ref	5.65	-8.22	0	253.371	1.94	1	3	4	CCCc1cc(C(=O)N2CC[C@H](SC)C2)[nH]n1
365632767	ZINC000623065238	ref	2.72	-45.28	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)no1
178300404	ZINC000237159392	ref	5.65	-16.35	0	368.231	1.605	1	6	5	COCc1c(Br)cccc1NCc1cn(C)c(=O)n(C)c1=O
342594912	ZINC000590771732	mid	5.76	-9.04	0	253.371	1.94	1	3	4	CCCc1cc(C(=O)N2CC[C@H](SC)C2)n[nH]1
343994941	ZINC000625565434	ref	9.03	-32.7	1	225.376	2.779	1	1	7	CCO[C@H](C[N@H+](C)C[C@H]1CC1(C)C)C1CC1
178300406	ZINC000225331986	ref	4.25	-6.84	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)F)N2
230725961	ZINC000450380326	ref	4.29	-13.55	0	318.348	1.969	1	4	7	COCCN(CCO)C(=O)c1ccc(-c2ccncc2)c(F)c1
178300410	ZINC000361658743	ref	4.46	-10.04	0	245.326	2.71	2	3	4	Cc1cc2n[nH]cc2cc1NCC[C@H]1CCOC1
365632768	ZINC000354701991	ref	4.35	-46.14	1	280.412	1.53	3	2	4	O=C1C[C@]2(CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)CN1
398248256	ZINC000645410494	low	7.02	-31.84	1	231.343	2.944	0	2	2	Cc1nc(N2CCCC[C@@H]2C2CCC2)cc[nH+]1
365632772	ZINC000354701991	mid	4.38	-46.9	1	280.412	1.53	3	2	4	O=C1C[C@]2(CCC[N@H+](C[C@H](O)CC3CCCC3)C2)CN1
230725968	ZINC000450384883	ref	8.54	-12.96	0	301.394	1.898	1	6	7	COCCC1(CNc2ccc3nnc([C@H]4C[C@H]4C)n3n2)CC1
398248258	ZINC000062358710	ref	2.37	-45.91	1	239.344	1.261	2	3	3	C[C@H](NC(=O)c1cscn1)[C@H]1CCC[NH2+]C1
192037545	ZINC000273074977	low	6.39	-45.23	1	276.38	2.358	1	3	6	CCOc1ccccc1[C@H](C)[NH2+]CN1CCC(=O)CC1
365632776	ZINC000354701866	ref	4.26	-9.5	0	285.384	1.631	2	4	4	CC1(C)CC(C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C)C1
365632779	ZINC000354702458	ref	5.03	-22.4	0	269.268	1.151	3	5	3	Cc1nc(NC(=O)c2c[nH]nc2-c2ccccn2)n[nH]1
178300420	ZINC000026287829	ref	8.08	-9.18	0	248.329	4.222	0	2	1	Cc1cc2nc(C)c(-c3ccccc3)nc2cc1C
365632785	ZINC000354702458	mid	5.52	-17.72	0	269.268	1.151	3	5	3	Cc1nnc(NC(=O)c2c[nH]nc2-c2ccccn2)[nH]1
398248265	ZINC000230903010	ref	3.59	-8.61	0	238.335	0.922	2	4	6	CC[C@@H](C)[N@H+](C)CCNc1nccn(C)c1=O
365632786	ZINC000354702458	low	5.04	-16.92	0	269.268	1.151	3	5	3	Cc1n[nH]c(NC(=O)c2c[nH]nc2-c2ccccn2)n1
365632790	ZINC000354701977	ref	6.48	-10.07	0	269.385	1.932	0	3	4	C[C@H]1C[C@@H](C)CN(C(=O)COC[C@@H]2CCOC2)[C@@H]1C
398248271	ZINC000230903010	mid	5.43	-37.76	1	238.335	0.922	2	4	6	CC[C@@H](C)[N@@H+](C)CCNc1nccn(C)c1=O
365632796	ZINC000354703725	ref	3.96	-44.97	1	281.4	1.034	2	2	4	C[C@H]1CCC[C@@H](C)N1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
398248273	ZINC000230903010	high	3.59	-8.61	0	238.335	0.922	1	5	6	CC[C@@H](C)N(C)CCNc1nccn(C)c1=O
178300442	ZINC000073639617	ref	6.9	-9.15	0	237.302	4.42	0	2	1	Cc1cc2nc(-c3ccccc3C)oc2cc1C
349535948	ZINC000621499751	ref	7.56	-10.09	0	274.355	3.109	1	1	5	CC(C)C[C@@H]1CCN(C(=O)NCC[C@H]2CC2(F)F)C1
365632803	ZINC000354704339	ref	0.21	-9.47	0	270.333	1.367	2	5	8	CCCCOCCNC(=O)Nc1cn(C)nc1OC
398248276	ZINC000417648930	ref	1.55	-50.35	1	227.352	1.461	3	1	5	C[C@H]1CCCC[C@H]1CCNC(=O)NCC[NH3+]
214183756	ZINC000293568080	ref	8.44	-13.74	0	355.398	0.785	1	6	2	Cn1cnc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@@H]32)n1
365632769	ZINC000623065060	ref	8.26	-45.89	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1
365632773	ZINC000623065239	ref	2.7	-45.32	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)no1
214183759	ZINC000293561265	ref	2.49	-22.4	0	362.386	0.423	2	5	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCC[C@H]2C(=O)N(C)C)c1
365632777	ZINC000623064023	ref	2.75	-47.29	1	304.213	1.715	1	3	2	C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ncc(Br)s2)C1
185087504	ZINC000096072074	mid	5.63	-35.93	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@@]2(CC[N@H+](Cc3c[nH]cn3)C2)C1
342088300	ZINC000121494879	low	5.73	-37.13	1	284.363	1.806	3	2	4	O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1nc2ccccc2[nH]1
214183768	ZINC000293565132	ref	3.59	-49.78	1	354.426	0.747	3	4	8	CC[C@H](C)[C@@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCCN1CCOCC1
214183770	ZINC000293565132	low	3.59	-49.78	1	354.426	0.747	4	3	8	CC[C@H](C)[C@@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCC[NH+]1CCOCC1
214183775	ZINC000293565239	ref	8.7	-50.98	1	370.453	0.693	1	6	8	O=C(CCn1cnccc1=O)N[C@H](Cc1ccccc1)CN1CCOCC1
197591646	ZINC000290089976	ref	7.19	-13.9	0	279.336	2.256	0	4	3	COC(=O)Cc1occc1C(=O)N1CCC[C@@H](C)[C@H]1C
214183778	ZINC000293565239	low	8.7	-50.98	1	370.453	0.693	2	5	8	O=C(CCn1cnccc1=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1
214183780	ZINC000293560900	ref	8.91	-21.58	0	354.37	0.384	1	7	5	COC[C@H]1CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1
214183783	ZINC000293556355	ref	3.02	-16.27	0	358.442	0.368	2	4	6	O=C1CN(CCCNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)CCN1
342088301	ZINC000121450912	ref	3.55	-19.23	0	283.397	1.118	1	4	6	Cn1nccc1C[S@@](=O)CCC(=O)NC1CCCC1
185087506	ZINC000096072074	mid	5.62	-36.59	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@@]2(CC[N@@H+](Cc3c[nH]cn3)C2)C1
342088302	ZINC000121502093	ref	7.34	-51.89	1	290.411	1.751	1	3	3	CCc1nccn1[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1
185087508	ZINC000096072074	mid	5.52	-41.34	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@@]2(CC[N@H+](Cc3cnc[nH]3)C2)C1
342088303	ZINC000121502093	mid	7.8	-85.19	2	290.411	1.751	1	2	3	CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1
342088304	ZINC000121219499	ref	6.52	-16.28	0	283.253	1.81	1	3	4	Cn1cncc1CCNC(=O)c1c(F)ccc(F)c1F
342594913	ZINC000590772367	ref	5.34	-14.09	0	299.33	1.683	1	5	5	COC(=O)c1cccc(CC(=O)N[C@H](C)c2cnccn2)c1
282122121	ZINC000444256690	ref	1.99	-38.87	1	279.287	-0.843	2	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCO1
282122128	ZINC000444256690	high	-0.51	-8.04	0	279.287	-0.843	1	4	4	CN(C)C[C@@H]1CN(C(=O)C(=O)NCC(F)F)CCO1
398248259	ZINC000650870361	ref	5.33	-15.5	0	259.309	1.357	1	4	2	CC(C)(C)C(=O)NCc1cc(=O)n2ccccc2n1
230725976	ZINC000425428181	ref	5.75	-46.72	1	318.417	2.468	3	3	6	CO[C@@H](C[NH+]1CCC(C(=O)Nc2ccc(O)cc2)CC1)C1CC1
349534459	ZINC000621492835	ref	8.6	-10.05	0	283.375	3.14	1	2	4	Cc1nc(C)c(C(=O)N(Cc2ccccc2C)C2CC2)[nH]1
398248263	ZINC000650869441	ref	4.18	-8.35	0	282.384	1.62	1	3	2	CC1(C)CN(C(=O)NC[C@@H]2CC2(C)C)[C@@H]2COC[C@H]2O1
398249428	ZINC000651467253	ref	6.03	-10.76	0	265.353	3.006	0	3	4	CCCC(C)(C)C(=O)N1CCO[C@H](c2ccco2)C1
349534463	ZINC000621492097	ref	7.77	-10.05	0	272.339	3.029	1	1	5	C=CC[C@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
300267326	ZINC000253312148	low	4.87	-51.88	1	288.413	0.569	1	3	3	C[C@H]1C[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CCC1=O
230725993	ZINC000425423438	ref	4.24	-19.15	0	301.415	2.096	0	4	3	C[C@H]1CN(Cc2ccc(-c3ccccn3)nc2)CC[S@@]1=O
342594914	ZINC000367699727	ref	4.26	-9.47	0	272.348	1.572	2	3	4	C[C@@H](CCO)NC(=O)[C@@]1(C#N)CCc2ccccc2C1
342594915	ZINC000590771690	ref	5.63	-9.92	0	253.371	1.56	0	4	3	CCc1c(C(=O)N2CC[C@@H](SC)C2)cnn1C
342594916	ZINC000616962482	ref	3.36	-17.87	0	276.361	1.022	2	3	2	O=C1NCC[C@H]1NC(=O)[C@@H]1SCCc2ccccc21
361823391	ZINC000614363726	ref	5.19	-17.64	0	304.35	1.331	2	5	9	COc1cccc(OCCC(=O)NCCCc2nnc[nH]2)c1
342594917	ZINC000616962500	ref	2.45	-18.48	0	272.757	1.51	2	3	3	C[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccc(Cl)s1
361823397	ZINC000614363726	mid	4.8	-15.01	0	304.35	1.331	2	5	9	COc1cccc(OCCC(=O)NCCCc2nc[nH]n2)c1
361823402	ZINC000614362278	ref	7.33	-10.46	0	307.394	1.702	0	5	2	CCn1cnc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@@H](C)C3)C2)c1
361823408	ZINC000614363839	ref	4.78	-12.54	0	310.419	1.871	0	5	2	C[C@@H]1C[C@@]2(CCO1)CN(C(=O)Cc1cscn1)C[C@@H](C)O2
361823414	ZINC000614363068	ref	4.5	-19.44	0	320.389	1.515	1	4	2	C[C@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@@]2(CCO[C@H](C)C2)O1
361823420	ZINC000614363076	ref	4.5	-19.23	0	320.389	1.515	1	4	2	C[C@@H]1C[C@@]2(CCO1)CN(C(=O)Cc1ccc(=O)[nH]c1)C[C@@H](C)O2
361823424	ZINC000614361558	ref	3.65	-9.71	0	323.393	1.286	0	6	3	COCn1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@@H](C)C3)C2)n1
178300407	ZINC000237156637	ref	5.78	-20.67	0	360.439	1.687	2	7	6	COC(=O)CCCc1nnc(NC(=O)[C@H]2Cc3ccccc3CN2)s1
178300409	ZINC000237156637	mid	7.17	-53.52	1	360.439	1.687	2	6	6	COC(=O)CCCc1nnc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)s1
178300413	ZINC000237156415	ref	5.8	-21.17	0	360.439	1.687	2	7	6	COC(=O)CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3CN2)s1
178300418	ZINC000237156415	mid	7.17	-53.34	1	360.439	1.687	2	6	6	COC(=O)CCCc1nnc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)s1
365632770	ZINC000122909630	low	9.66	-40.88	1	261.369	2.483	0	2	2	C[C@@H]1CCN(C(=O)C2(C)CCC2)C[C@@H]1n1cc[nH+]c1
178300422	ZINC000237156753	ref	3.84	-53.39	1	352.41	1.174	3	3	7	COCC[NH2+]CC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
178300424	ZINC000237156753	high	2.49	-17.21	0	352.41	1.174	3	4	7	COCCNCC(=O)N1CCC(NC(=O)Nc2ccc(F)cc2)CC1
365632774	ZINC000122905395	ref	4.9	-8.21	0	271.368	2.477	0	5	2	Cc1ccnc(N2CCC[C@H]2c2c(C)nn(C)c2C)n1
365632781	ZINC000122838736	ref	6.76	-32.53	1	283.375	2.466	0	2	2	CCc1cc(N2CCN(C(C)=O)CC2)c2ccccc2[nH+]1
365632789	ZINC000122838736	high	6.45	-12.01	0	283.375	2.466	0	3	2	CCc1cc(N2CCN(C(C)=O)CC2)c2ccccc2n1
365632792	ZINC000122936191	ref	4.04	-9.22	0	267.394	2.333	0	3	4	C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)c1ccccc1
178300427	ZINC000237173876	ref	4.05	-50.04	1	359.879	1.028	1	3	5	C[NH2+]C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
365632795	ZINC000122936191	mid	6.11	-42.07	1	267.394	2.333	1	2	4	C[C@@H]1CC[C@@H](C)[NH+]1CCS(=O)(=O)c1ccccc1
365632799	ZINC000122861095	ref	4.01	-7.92	0	266.366	2.139	1	4	3	Cc1ncsc1C(=O)N[C@H]1CCO[C@@H](C2CC2)C1
365632806	ZINC000122871032	ref	7.71	-38.09	1	251.399	2.38	1	3	8	C=CCSCC[NH2+][C@H](c1nccn1C)C1CC1
365632811	ZINC000122871032	high	6.94	-8.28	0	251.399	2.38	1	4	8	C=CCSCCN[C@H](c1nccn1C)C1CC1
398248266	ZINC000182894210	ref	-0.09	-6.84	0	213.277	0.444	2	3	3	O=C(N[C@@]1(CO)CCOC1)C1CCCC1
214183771	ZINC000053457368	mid	9.55	-46.33	1	343.427	1.617	1	3	5	CC(=O)N1CCC[N@@H+](CCCCN2C(=O)c3ccccc3C2=O)CC1
342088305	ZINC000121219499	low	7.03	-40.13	1	283.253	1.81	1	2	4	Cn1c[nH+]cc1CCNC(=O)c1c(F)ccc(F)c1F
365632817	ZINC000122897584	ref	10.23	-51.16	1	270.38	2.487	1	3	4	Cn1cnnc1C[NH2+][C@H]1C[C@H](c2ccccc2)C1(C)C
365632822	ZINC000122897584	mid	9.24	-10.45	0	270.38	2.487	1	4	4	Cn1cnnc1CN[C@H]1C[C@H](c2ccccc2)C1(C)C
214183773	ZINC000053457368	high	7.79	-15.38	0	343.427	1.617	0	4	5	CC(=O)N1CCCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
214183776	ZINC000053461429	ref	6.29	-15.57	0	344.386	3.251	2	3	7	CCOCc1ccc(CNC(=O)c2cc(NC(C)=O)ccc2F)cc1
214183779	ZINC000053460959	ref	4.18	-16.95	0	333.347	4.352	1	5	3	Cc1c(C(=O)Nc2cccc(-c3nnco3)c2)oc2c(C)cccc12
342594918	ZINC000616962545	ref	3.61	-18.41	0	285.347	1.414	3	2	4	Cc1cccc2c(CCC(=O)N[C@H]3CCNC3=O)c[nH]c12
214183782	ZINC000053448618	ref	4.27	-21.17	0	349.412	1.801	0	6	3	Cc1noc(C2CCN(C(=O)c3ccccc3S(C)(=O)=O)CC2)n1
214183784	ZINC000053448452	ref	6.92	-12.47	0	329.4	2.862	0	5	5	Cc1cccc(OCCC(=O)N2CCC(c3nc(C)no3)CC2)c1
342594919	ZINC000590771846	ref	7.11	-10.49	0	265.382	1.409	0	4	2	CS[C@@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1
342594920	ZINC000590771846	low	7.57	-34.19	1	265.382	1.409	0	3	2	CS[C@@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1
214183787	ZINC000053448375	ref	8.62	-12.15	0	343.427	3.433	0	5	5	Cc1noc(C2CCN(C(=O)CCc3ccc([C@H]4C[C@H]4C)o3)CC2)n1
214183791	ZINC000053461151	ref	8.97	-12.85	0	334.803	2.981	0	4	4	CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(Cl)cn1C
214183795	ZINC000053454805	ref	6.46	-15.53	0	327.384	2.262	0	5	3	Cc1noc(C2CCN(C(=O)Cc3ccc4c(c3)CCO4)CC2)n1
214183799	ZINC000053461055	ref	7.28	-15.8	0	333.779	1.138	1	5	4	Cn1cnnc1CNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O
282122126	ZINC000533468542	ref	7.21	-10.84	0	278.243	1.437	1	6	6	O=[N+]([O-])c1ccc(OCCNc2ncc(F)cn2)cc1
342594921	ZINC000590772691	ref	4.24	-15.44	0	279.361	1.427	0	3	4	C[S@@](=O)c1cccc(C(=O)N(C2CC2)C2COC2)c1
349534461	ZINC000602430051	ref	0.66	-8.35	0	228.248	0.275	1	6	6	CCN(CCO)Cc1cc(C(=O)OC)no1
282122131	ZINC000533468200	ref	7.51	-12.0	0	288.33	1.885	0	6	2	Fc1cnc(N2CCn3c(nnc3C3CCCC3)C2)nc1
282122135	ZINC000533468701	ref	10.02	-25.97	0	290.304	1.753	0	7	3	Cn1cnc([N+](=O)[O-])c1Cn1sc2ccccc2c1=O
214183810	ZINC000053455080	ref	6.67	-19.75	0	334.42	1.875	0	5	4	CCCC(=O)N1CCC[C@H]1C(=O)N1CCC(c2nc(C)no2)CC1
219047883	ZINC000097682314	ref	6.21	-12.94	0	347.415	2.675	1	4	3	C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2ccc(F)cc2)n1
137823032	ZINC000408014386	ref	3.85	-20.45	0	265.317	0.505	1	4	1	CC(=O)N1CCN(C(=O)Nc2cnn(C)c2)[C@H](C)C1
178300431	ZINC000237169667	ref	3.83	-48.55	1	367.877	1.782	2	4	8	COc1cc(/C=C/C(=O)NCCCN2CC[NH2+]CC2)cc(Cl)c1OC
365632780	ZINC000623065243	ref	2.46	-56.78	1	309.366	1.523	2	4	4	COc1cc(NC(=O)N2C[C@@H]([NH3+])[C@H](C)C2)cc(OC)c1OC
178300432	ZINC000237157878	ref	4.17	-43.55	1	351.241	1.961	1	2	4	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Br
178300436	ZINC000237162930	ref	4.6	-54.83	1	369.462	1.434	1	3	4	C[NH2+]C1CCN(S(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)CC1
282122127	ZINC000449152925	ref	3.42	-38.53	1	286.46	2.316	3	2	9	CCC(CC)(CCO)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C
282122134	ZINC000449153283	ref	3.76	-36.66	1	284.444	2.07	3	2	7	C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1(CCO)CCCC1
178300439	ZINC000237176934	ref	6.74	-50.35	1	354.476	1.501	2	5	7	C[NH2+]C[C@@H]1CCCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)C1
178300444	ZINC000237160645	ref	5.72	-49.56	1	374.268	1.514	1	3	6	COCC[NH2+]CC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
282122140	ZINC000449152872	ref	4.53	-36.81	1	255.402	2.332	2	2	5	COCC1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1
282122144	ZINC000449153130	ref	5.74	-38.05	1	262.353	2.338	2	2	5	CCC[NH2+][C@H](C)C(=O)Nc1cccc2c1OCCC2
282122148	ZINC000449153130	high	4.5	-7.35	0	262.353	2.338	2	3	5	CCCN[C@H](C)C(=O)Nc1cccc2c1OCCC2
282122151	ZINC000449153100	ref	8.39	-35.41	1	286.419	2.465	2	1	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
282122158	ZINC000449152493	ref	5.98	-34.3	1	276.38	2.15	2	2	7	CCOc1cc(C)ccc1CNC(=O)[C@@H](C)[NH2+]C1CC1
282122161	ZINC000449152493	high	4.93	-9.02	0	276.38	2.15	2	3	7	CCOc1cc(C)ccc1CNC(=O)[C@@H](C)NC1CC1
282122166	ZINC000449153359	ref	6.49	-9.73	0	279.405	2.364	2	3	6	Cc1ccc(SCCNC(=O)[C@H](O)C2CCC2)cc1
178300447	ZINC000237160645	high	4.37	-12.86	0	374.268	1.514	1	4	6	COCCNCC(=O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
290622368	ZINC000357184306	ref	5.35	-6.95	0	330.384	2.581	2	4	2	C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
365632783	ZINC000623063580	ref	4.21	-54.33	1	316.405	1.401	2	3	3	CC(=O)c1cccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1
178300450	ZINC000237171075	ref	4.34	-51.16	1	353.488	1.264	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@]2(C)CCCC[NH2+]2)cc1
282122173	ZINC000449153344	ref	6.97	-50.22	1	252.402	2.41	1	1	3	CC(C)N1C[C@H]([NH2+][C@H]2C[C@H](C)CC[C@@H]2C)CC1=O
398248267	ZINC000650870702	ref	1.63	-17.39	0	288.351	1.61	3	4	7	C[C@@H](CCO)CCNC(=O)c1ccnc(-c2ncc[nH]2)c1
342594922	ZINC000590771652	ref	2.53	-7.33	0	256.327	1.651	0	5	4	CCOc1nc(C(=O)N2CC[C@@H](SC)C2)co1
365632782	ZINC000617415480	mid	5.06	-44.61	1	281.4	0.892	3	2	4	C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCC[N@@H+](C)C1
197591658	ZINC000162795716	ref	9.95	-32.98	0	321.377	2.232	1	5	6	CCCC1CCC(NC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1
365632784	ZINC000617415480	mid	2.7	-8.6	0	281.4	0.892	2	3	4	C[C@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCN(C)C1
365632788	ZINC000617415175	ref	4.51	-53.68	1	291.351	0.375	3	3	5	C[N@@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1
365632793	ZINC000617415175	mid	5.03	-56.94	1	291.351	0.375	3	3	5	C[N@H+]1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1
365632797	ZINC000617415175	mid	2.14	-24.17	0	291.351	0.375	2	4	5	CN1CCC[C@H](NC(=O)c2ccccc2OCC(N)=O)C1
365632801	ZINC000617415481	ref	5.05	-44.46	1	281.4	0.892	3	2	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1
365632805	ZINC000617415481	mid	5.58	-45.58	1	281.4	0.892	3	2	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](C)C1
365632807	ZINC000617415481	mid	2.7	-8.66	0	281.4	0.892	2	3	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCCN(C)C1
342594923	ZINC000616962544	ref	3.61	-19.83	0	285.347	1.414	3	2	4	Cc1cccc2c(CCC(=O)N[C@@H]3CCNC3=O)c[nH]c12
365632814	ZINC000617415429	ref	5.09	-43.01	1	250.346	0.806	2	3	3	CCc1c(C(=O)N[C@@H]2CCC[N@H+](C)C2)cnn1C
365632819	ZINC000617415429	mid	5.6	-44.52	1	250.346	0.806	2	3	3	CCc1c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cnn1C
365632823	ZINC000617415429	mid	2.72	-9.72	0	250.346	0.806	1	4	3	CCc1c(C(=O)N[C@@H]2CCCN(C)C2)cnn1C
342594924	ZINC000590772558	ref	7.94	-16.4	0	291.347	1.651	0	4	5	COC(=O)Cc1cccc(C(=O)N(C(C)C)C2COC2)c1
342594925	ZINC000590772417	ref	5.55	-19.19	0	296.33	1.993	1	5	5	C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1cnccn1
185087509	ZINC000096072074	mid	5.65	-43.24	1	265.357	1.427	2	3	5	COCC[C@H]1CO[C@@]2(CC[N@@H+](Cc3cnc[nH]3)C2)C1
230726027	ZINC000450383106	ref	4.99	-6.81	0	313.438	1.995	1	4	7	CCC1(CC)[C@H](NC(=O)[C@]2(COC)CCOC2)[C@H](C)[C@H]1OC
230726029	ZINC000450381966	ref	7.86	-18.41	0	311.349	1.312	0	8	5	COc1ccc(-c2ccnc(N(C)Cc3nnnn3C)n2)cc1
192339500	ZINC000421443077	ref	5.7	-13.51	0	247.342	1.744	1	3	4	Cc1cc(CC(=O)NC[C@H]2CC=CCC2)n(C)n1
365632827	ZINC000617424198	ref	5.69	-45.31	1	263.345	0.74	2	4	2	C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2ncnn21
365632832	ZINC000617424198	mid	5.98	-44.6	1	263.345	0.74	2	4	2	C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2ncnn21
185087510	ZINC000096072074	high	3.15	-9.53	0	265.357	1.427	1	4	5	COCC[C@H]1CO[C@@]2(CCN(Cc3cnc[nH]3)C2)C1
214183777	ZINC000278483273	ref	6.85	-14.1	0	307.357	2.222	1	4	5	N#Cc1ccc(CN(C(=O)NCc2cccnn2)C2CC2)cc1
214183781	ZINC000278483141	ref	8.1	-10.72	0	321.398	3.07	0	6	7	COC[C@H](OC(=O)COc1c(C)cccc1C)c1nccs1
365632787	ZINC000623065217	ref	3.98	-42.54	1	323.805	1.764	1	4	1	O=C(c1nc2cc(Cl)ccc2s1)N1CCOC2(C[NH2+]C2)C1
365632791	ZINC000623065217	high	2.26	-7.2	0	323.805	1.764	1	5	1	O=C(c1nc2cc(Cl)ccc2s1)N1CCOC2(CNC2)C1
214183785	ZINC000278483338	ref	2.41	-7.02	0	321.255	1.962	2	6	4	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC1(O)CCOCC1
342088306	ZINC000121435166	ref	8.77	-17.55	0	267.332	1.585	1	3	4	O=C(Cn1ccnc1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21
214183786	ZINC000278482979	ref	5.94	-16.82	0	314.385	2.532	2	3	7	Cc1cc(C)cc(OCCNC(=O)CCc2ccc(=O)[nH]c2)c1
342088307	ZINC000121435166	low	9.28	-38.93	1	267.332	1.585	1	2	4	O=C(Cn1cc[nH+]c1)NC[C@H]1[C@H]2c3ccccc3C[C@H]21
214183789	ZINC000278483716	ref	6.49	-52.4	1	305.397	3.295	1	3	8	CCN(CC)[C@@H](C[NH2+]Cc1ccc(F)nc1C)c1ccco1
214183792	ZINC000278483716	high	6.01	-7.6	0	305.397	3.295	1	4	8	CCN(CC)[C@@H](CNCc1ccc(F)nc1C)c1ccco1
342088308	ZINC000121451084	ref	3.55	-20.94	0	283.397	1.118	1	4	6	Cn1nccc1C[S@](=O)CCC(=O)NC1CCCC1
214183794	ZINC000278483195	ref	9.74	-14.88	0	314.429	3.145	0	2	3	C[C@@H]1CCC[C@@H](C)N1C(=O)Cc1cccc(N2CCCC2=O)c1
214183798	ZINC000278482694	ref	6.11	-48.42	1	320.437	1.225	3	3	6	CCC[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(C)n(C)c2=O)C1
214183801	ZINC000278482694	mid	6.1	-47.74	1	320.437	1.225	3	3	6	CCC[N@H+]1CC[C@H](CNC(=O)NCc2ccc(C)n(C)c2=O)C1
214183806	ZINC000278483725	ref	8.46	-41.46	1	317.412	2.995	2	4	5	CC[NH+]1CCC(n2nccc2NCc2ccc(F)nc2C)CC1
214183811	ZINC000278484114	ref	6.44	-10.63	0	315.421	3.035	2	4	6	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)C[C@H](C)C(C)C)n2)c1
342088309	ZINC000121453332	ref	5.48	-18.91	0	289.335	1.415	2	5	5	COc1cc(C)cc(C(=O)NCCc2cncn2C)c1O
214183814	ZINC000278483044	ref	4.99	-23.03	0	306.362	1.453	2	4	9	CCOC(=O)C[C@@H](NC(=O)CCCC(N)=O)c1ccccc1
342088310	ZINC000121453332	low	5.99	-43.8	1	289.335	1.415	2	4	5	COc1cc(C)cc(C(=O)NCCc2c[nH+]cn2C)c1O
192037546	ZINC000418430450	ref	-0.17	-36.65	1	245.367	0.818	4	2	7	CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@H](C)O
365632794	ZINC000623065242	ref	2.54	-58.67	1	309.366	1.523	2	4	4	COc1cc(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc(OC)c1OC
365632798	ZINC000623065044	ref	8.02	-37.0	1	317.437	1.687	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1
365632802	ZINC000623065120	ref	4.14	-50.08	1	316.405	1.401	2	3	3	CC(=O)c1ccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1
365632804	ZINC000623064024	ref	2.75	-51.28	1	304.213	1.715	1	3	2	C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ncc(Br)s2)C1
365632808	ZINC000623064930	ref	5.85	-35.36	1	318.421	1.466	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)cn1
365632813	ZINC000623064258	ref	3.35	-58.94	1	303.362	1.803	2	3	1	[NH3+][C@@]12CCC[C@@H]1CN(C(=O)Nc1ccc3c(c1)OCCO3)C2
365632818	ZINC000623065045	ref	8.05	-41.95	1	317.437	1.687	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1
136229113	ZINC000343328044	mid	2.36	-12.49	0	214.294	0.653	2	4	4	CSCC(=O)N[C@@H](C)c1n[nH]c(C)n1
365632820	ZINC000623063581	ref	4.23	-55.69	1	316.405	1.401	2	3	3	CC(=O)c1cccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1
365632826	ZINC000623064717	ref	9.09	-23.96	0	323.36	1.775	3	6	2	Cc1cc(C)n2nc(NC(=O)Nc3cccc4c3CCN4)nc2n1
342088311	ZINC000121457315	ref	4.58	-40.68	1	293.415	1.315	2	5	8	CCOc1cc(NCCCC[NH+]2CCN(C)CC2)ncn1
365632831	ZINC000623063761	ref	3.6	-58.51	1	318.402	1.606	3	4	3	CN(C(=O)Nc1ncc(-c2ccccc2)s1)[C@H]1C[NH2+]C[C@@H]1O
365632837	ZINC000623064177	ref	3.42	-53.48	1	314.389	1.418	3	3	4	[NH3+]C[C@@H]1CC[C@@H](CNC(=O)c2nc3ccccc3c(=O)[nH]2)CC1
365632840	ZINC000623064177	mid	2.36	-83.37	0	314.389	1.418	2	3	4	[NH3+]C[C@@H]1CC[C@@H](CNC(=O)c2nc3ccccc3c(=O)[n-]2)CC1
136229114	ZINC000184917066	ref	7.12	-6.24	0	229.323	2.661	1	1	4	C#CCC(C)(C)C(=O)NCc1ccccc1C
342088312	ZINC000121457315	low	4.56	-37.67	1	293.415	1.315	2	5	8	CCOc1cc(NCCCCN2CC[NH+](C)CC2)ncn1
365632843	ZINC000623065193	ref	6.96	-46.4	1	321.812	1.945	1	4	4	CN(CC(C)(C)[NH3+])C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
342088313	ZINC000121457315	high	2.2	-6.08	0	293.415	1.315	1	6	8	CCOc1cc(NCCCCN2CCN(C)CC2)ncn1
282122139	ZINC000183876610	ref	6.59	-53.68	1	341.473	2.72	1	4	8	CCC(CC)(C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC
365632846	ZINC000623065262	ref	6.3	-46.79	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1
342088314	ZINC000121395795	ref	7.03	-15.93	0	287.363	1.891	1	4	6	COc1cccc([C@H](C)C(=O)NCCc2cncn2C)c1
187168784	ZINC000125080378	ref	5.59	-9.92	0	284.4	2.012	1	3	5	C[C@H](NC(=O)N(C)CCC1CCOCC1)[C@@H]1CCCO1
342594926	ZINC000590772369	ref	5.55	-13.98	0	296.33	1.993	1	5	5	C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@H](C)c1cnccn1
187168785	ZINC000125091172	ref	1.93	-10.15	0	276.258	1.991	2	3	5	CC[C@H](O)CCNC(=O)c1ccc(C(F)(F)F)nc1
365632800	ZINC000641596375	ref	2.12	-12.93	0	284.381	1.297	1	4	8	COC[C@H](C)CS(=O)(=O)NC/C=C\c1cccnc1
187168786	ZINC000125080487	ref	1.51	-46.41	1	257.378	0.784	3	2	10	CCCC[C@@H](CCC)CNC(=O)CNC(=O)C[NH3+]
187168787	ZINC000125080487	mid	1.1	-8.71	0	257.378	0.784	3	3	10	CCCC[C@@H](CCC)CNC(=O)CNC(=O)CN
214183788	ZINC000293556355	low	5.59	-52.19	1	358.442	0.368	3	3	6	O=C1C[N@H+](CCCNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)CCN1
365632809	ZINC000641600706	ref	6.95	-13.17	0	274.368	1.844	1	4	2	CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2ncncc2C)C1
342594927	ZINC000367699728	ref	4.26	-9.46	0	272.348	1.572	2	3	4	C[C@H](CCO)NC(=O)[C@]1(C#N)CCc2ccccc2C1
365632815	ZINC000641596441	ref	5.24	-10.45	0	279.286	1.661	1	2	2	O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1C[C@H]2C[C@@]2(O)C1
187168788	ZINC000125079708	ref	6.71	-9.51	0	285.384	2.184	1	4	8	CCOC(=O)CC[C@@H](C)NC(=O)CC[C@@H]1CCCCO1
187168789	ZINC000125080919	ref	6.43	-22.48	0	289.36	2.258	0	5	5	Cc1cccc(-n2ccnc2S(=O)(=O)CCCC#N)c1
342594928	ZINC000590771849	ref	7.11	-11.98	0	265.382	1.409	0	4	2	CS[C@@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1
187168790	ZINC000125080339	ref	3.47	-5.9	0	293.392	2.657	0	6	5	CCCc1noc(CN2CCO[C@H](c3ccsc3)C2)n1
187168791	ZINC000125090702	ref	7.26	-40.31	1	299.484	2.446	3	2	6	CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCS2)CC1
187168792	ZINC000125087780	ref	6.26	-39.18	1	275.396	2.345	1	3	2	Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2OCC[C@H]12
187168793	ZINC000125089909	ref	3.41	-7.93	0	290.363	2.64	0	5	8	COCCN(Cc1ccc(OC)nc1)Cc1ccc(C)o1
187168794	ZINC000125089909	low	5.65	-41.56	1	290.363	2.64	1	4	8	COCC[N@@H+](Cc1ccc(OC)nc1)Cc1ccc(C)o1
187168795	ZINC000125089909	low	5.61	-41.21	1	290.363	2.64	1	4	8	COCC[N@H+](Cc1ccc(OC)nc1)Cc1ccc(C)o1
187168796	ZINC000125083601	ref	7.76	-14.81	0	299.374	2.357	0	4	1	Cn1cnc2cc(C(=O)N3CCO[C@H]4CCCC[C@@H]43)ccc21
187168797	ZINC000125080895	ref	3.84	-13.06	0	263.746	2.49	0	4	5	CC(C)CCS(=O)(=O)Oc1ccc(Cl)nc1
365632821	ZINC000641600118	ref	5.2	-17.49	0	290.273	1.972	1	5	4	O=C1CCc2ccc(NCc3nccc(C(F)F)n3)nc21
365632810	ZINC000354702400	ref	4.38	-8.29	0	294.417	1.14	1	4	9	CCCC[C@H](NS(=O)(=O)N(C)CC(C)C)C(=O)OC
365632812	ZINC000354702400	high	3.68	-43.66	-1	294.417	1.14	0	4	9	CCCC[C@H]([N-]S(=O)(=O)N(C)CC(C)C)C(=O)OC
365632816	ZINC000354702706	ref	0.1	-7.24	0	282.34	1.642	1	5	5	CO[C@@]1(CNC(=O)c2nc(C(C)C)oc2C)CCOC1
365632824	ZINC000354703285	ref	7.43	-41.42	1	252.358	1.106	1	2	3	CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C
365632828	ZINC000354703285	mid	7.74	-41.15	1	252.358	1.106	1	2	3	CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C
343994942	ZINC000139461071	ref	6.75	-4.3	0	192.155	3.461	0	0	0	Cc1cc(F)c(C(F)(F)F)cc1C
365632830	ZINC000354703285	high	5.64	-9.22	0	252.358	1.106	0	3	3	CCO[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CCCN2C[C@H]1C
365632835	ZINC000354702771	ref	3.41	-7.49	0	280.372	1.651	1	5	5	CC(C)[C@H](C)CNC(=O)c1cn(C2CCOCC2)nn1
230726056	ZINC000450382717	ref	7.08	-15.44	0	317.393	1.277	1	7	7	C[C@@H]1C[C@H]1c1nnc2ccc(NCCCO[C@@H]3CCOC3)nn12
365632839	ZINC000354702286	ref	3.74	-12.3	0	263.688	1.024	0	5	2	O=C(c1ccc(Cl)cn1)N1CC(n2ccnn2)C1
365632844	ZINC000354703429	ref	1.74	-10.53	0	282.344	1.196	2	5	3	COc1nn(C)cc1NC(=O)N1CCC[C@H]1C(C)(C)O
365632848	ZINC000354701707	ref	4.9	-9.74	0	298.452	1.309	0	4	3	CC[C@@H]1CN(C(=O)[C@H]2CCSC2)C[C@H]1N1CCOCC1
342088315	ZINC000121395795	low	7.55	-40.93	1	287.363	1.891	1	3	6	COc1cccc([C@H](C)C(=O)NCCc2c[nH+]cn2C)c1
398248269	ZINC000087536741	ref	7.84	-13.29	0	210.248	2.82	0	2	5	CC[C@@H](C)C(=O)COc1ccccc1F
398248278	ZINC000380255805	ref	-0.22	-43.41	-1	237.277	-0.585	1	5	5	CCS(=O)(=O)N[C@H](C(=O)[O-])[C@@H]1CCOC1
398248280	ZINC000361805678	ref	6.08	-40.28	1	243.391	2.593	1	2	5	CO[C@@H](C[NH2+][C@H]1CC(C)(C)OC1(C)C)C(C)C
398248284	ZINC000182895905	ref	3.24	-10.51	0	219.35	1.306	1	2	4	C[C@H](C[S@](C)=O)NC(=O)CC(C)(C)C
365632856	ZINC000354701707	mid	7.13	-44.35	1	298.452	1.309	1	3	3	CC[C@@H]1CN(C(=O)[C@H]2CCSC2)C[C@H]1[NH+]1CCOCC1
365632861	ZINC000354702675	ref	10.01	-21.1	0	274.324	1.785	1	5	6	CCc1ccccc1OCCC(=O)Nc1nncn1C
365632867	ZINC000354701996	ref	4.27	-50.41	1	280.412	1.53	3	2	4	O=C1C[C@@]2(CCC[N@@H+](C[C@H](O)CC3CCCC3)C2)CN1
342088316	ZINC000121501893	ref	7.9	-14.42	0	269.414	1.856	1	4	7	CCS[C@@H](C(=O)NCCc1cncn1C)C(C)C
365632871	ZINC000354701996	mid	4.22	-50.15	1	280.412	1.53	3	2	4	O=C1C[C@@]2(CCC[N@H+](C[C@H](O)CC3CCCC3)C2)CN1
398248288	ZINC000182896145	ref	-0.46	-9.07	0	245.319	0.459	2	4	7	CC(C)OCCCC(=O)N[C@]1(CO)CCOC1
398248293	ZINC000182896162	ref	-0.43	-9.2	0	245.319	0.459	2	4	7	CC(C)OCCCC(=O)N[C@@]1(CO)CCOC1
214183790	ZINC000293556355	low	5.59	-52.66	1	358.442	0.368	3	3	6	O=C1C[N@@H+](CCCNC(=O)[C@@H]2CCCN(c3ccccc3)C2=O)CCN1
214183793	ZINC000293565727	ref	1.64	-55.54	1	355.385	0.693	2	5	6	O=C1C[C@H](NCc2c(F)ccc(O)c2F)CN1CCN1CCOCC1
342088317	ZINC000121501893	low	8.42	-40.0	1	269.414	1.856	1	3	7	CCS[C@@H](C(=O)NCCc1c[nH+]cn1C)C(C)C
342088318	ZINC000600314856	ref	6.44	-40.7	1	270.373	1.034	2	3	5	COC(=O)C[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
342088319	ZINC000600314856	mid	6.62	-40.81	1	270.373	1.034	2	3	5	COC(=O)C[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
214183796	ZINC000293565727	low	1.21	-46.98	-1	355.385	0.693	2	4	6	O=C1C[C@H]([NH2+]Cc2c(F)ccc(O)c2F)CN1CCN1CCOCC1
342088320	ZINC000121486048	ref	6.02	-88.15	2	297.443	1.088	1	3	6	CCOCCN1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1CC
342088321	ZINC000121486048	mid	6.33	-106.53	2	297.443	1.088	2	2	6	CCOCC[N@@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1CC
342088322	ZINC000121486048	mid	6.33	-106.53	2	297.443	1.088	2	2	6	CCOCC[N@H+]1CCN(C(=O)[C@]2(C)CCC[NH2+]2)C[C@@H]1CC
365639423	ZINC000123658763	ref	6.67	-42.51	1	290.473	2.168	1	2	7	CC(C)C[C@H]1CCCC[N@@H+]1CCCS(=O)(=O)N(C)C
342088323	ZINC000600314858	ref	6.62	-40.81	1	270.373	1.034	2	3	5	COC(=O)C[C@H](C)C(=O)NC[C@H]1CCCC[N@H+](C)C1
214183800	ZINC000293565727	high	1.21	-46.98	-1	355.385	0.693	1	5	6	O=C1C[C@H](NCc2c(F)ccc([O-])c2F)CN1CCN1CCOCC1
214183802	ZINC000293560892	ref	1.33	-10.95	0	352.387	0.691	3	6	7	COCc1cc(NC(=O)C(=O)N[C@H](CO)C(C)C)cc(C(=O)OC)c1
214183808	ZINC000293560843	ref	2.86	-13.6	0	364.398	0.844	3	6	6	COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1
214183812	ZINC000293556255	ref	4.41	-20.05	0	361.803	0.761	0	6	3	COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OC)c(Cl)c1
342088324	ZINC000600314858	mid	6.52	-41.74	1	270.373	1.034	2	3	5	COC(=O)C[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
214183821	ZINC000293558791	ref	6.32	-17.37	0	370.453	0.857	1	5	6	Cc1c(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)cnn1C
214183825	ZINC000293567168	ref	3.54	-31.44	0	359.386	0.792	3	6	6	Cc1cc(OCC(=O)NC(N)=O)ccc1NC(=O)Cc1cnn(C)c1C
342594929	ZINC000590771849	low	7.58	-37.08	1	265.382	1.409	0	3	2	CS[C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1
342088325	ZINC000121499176	ref	7.84	-17.02	0	299.374	1.891	1	4	6	COc1cccc([C@H]2C[C@@H]2C(=O)NCCc2cncn2C)c1
342088326	ZINC000121499176	low	8.36	-41.41	1	299.374	1.891	1	3	6	COc1cccc([C@H]2C[C@@H]2C(=O)NCCc2c[nH+]cn2C)c1
187168798	ZINC000125081527	ref	3.46	-11.3	0	280.372	1.148	2	4	4	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C)c1cnn(C)c1
342088327	ZINC000121489052	ref	5.59	-40.49	1	288.351	1.575	1	5	6	CC(C)Oc1ccc(C(=O)NCCc2cncn2C)cn1
187168799	ZINC000125088260	ref	5.74	-20.49	0	291.457	2.342	0	3	7	CC(C)CN(CC(C)(C)C)C(=O)CCCS(C)(=O)=O
187168800	ZINC000125081418	ref	5.25	-6.04	0	288.269	2.745	1	2	1	C[C@H]1OCCN(C(=O)Nc2ccc(F)c(F)c2F)[C@@H]1C
342088328	ZINC000121489052	low	5.59	-40.49	1	288.351	1.575	1	4	6	CC(C)Oc1ccc(C(=O)NCCc2c[nH+]cn2C)cn1
187168801	ZINC000125089876	ref	9.0	-14.21	0	287.359	2.344	0	3	3	C[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)C[C@H]1COC(=O)C1
343994945	ZINC000139447358	ref	-2.61	-5.98	0	128.131	0.427	1	3	2	COc1cc(OC)[nH]n1
187168802	ZINC000125082283	ref	4.31	-12.34	0	276.311	1.833	2	2	3	O=C(Cc1c[nH]c2cc(F)ccc12)N1CCC[C@H]1CO
187168803	ZINC000125081767	ref	3.46	-11.5	0	280.372	1.148	2	4	4	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1cnn(C)c1
197591675	ZINC000290090195	ref	6.08	-51.83	1	289.379	1.308	1	3	4	O=C(COc1cccnc1)N1CCC([C@@H]2CC[NH2+]C2)CC1
187168804	ZINC000125082288	ref	6.75	-10.37	0	285.746	2.978	0	2	3	CN(C[C@@H]1CCCOC1)C(=O)c1ccc(F)c(Cl)c1
187168805	ZINC000125085342	ref	5.95	-9.24	0	267.398	2.115	1	3	4	CSC[C@@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1
187168806	ZINC000125086398	ref	9.52	-45.73	1	276.38	2.289	1	3	6	CCOC(=O)CC1CC[NH+](CCc2ccncc2)CC1
190493351	ZINC000269427758	ref	2.88	-12.92	0	270.289	1.208	2	5	7	CCOCCNC(=O)c1[nH]nc(C(C)C)c1[N+](=O)[O-]
187168807	ZINC000125086398	high	7.15	-7.78	0	276.38	2.289	0	4	6	CCOC(=O)CC1CCN(CCc2ccncc2)CC1
187168808	ZINC000125081729	ref	4.08	-21.2	0	271.289	2.081	1	5	4	Cc1nnc(NC(=O)CSCC(F)(F)F)s1
187168809	ZINC000125083007	ref	7.39	-8.03	0	264.394	2.809	0	3	4	Cc1cnc(CCN(C)C(=O)[C@@H]2CC=CCC2)s1
187168810	ZINC000125086993	ref	5.82	-10.83	0	293.392	2.783	2	4	5	Cc1cc(CNC(=O)N[C@H](C)Cc2ccc(C)s2)on1
342088329	ZINC000046825208	ref	4.13	-12.38	0	272.707	1.686	1	2	3	C[C@@H](NC(=O)c1c(F)cccc1Cl)C(=O)N(C)C
342088330	ZINC000621363065	ref	4.2	-33.49	1	268.401	1.384	3	2	4	C[C@@H](C(=O)NC1CCCC1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1
342088331	ZINC000621363065	mid	4.13	-34.7	1	268.401	1.384	3	2	4	C[C@@H](C(=O)NC1CCCC1)[N@H+]1CC[C@@H](C)[C@H](CO)C1
342088332	ZINC000621363065	high	1.74	-7.43	0	268.401	1.384	2	3	4	C[C@@H](C(=O)NC1CCCC1)N1CC[C@@H](C)[C@H](CO)C1
342088333	ZINC000121326711	ref	6.34	-15.88	0	286.339	1.64	1	6	5	CC(C)n1cc(C#N)c(NC(=O)CCc2ccnn2C)n1
342594930	ZINC000590771964	ref	7.41	-19.76	0	298.452	1.987	0	3	2	CS[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1
342594931	ZINC000590771962	ref	7.4	-19.1	0	298.452	1.987	0	3	2	CS[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)C1
361823400	ZINC000612423873	ref	7.13	-41.67	1	318.461	2.218	3	2	8	CCC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1
361823404	ZINC000612423873	mid	7.32	-34.56	1	318.461	2.218	3	2	8	CCC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1
282952168	ZINC000127630497	ref	6.16	-11.24	0	317.389	2.932	0	5	4	COc1ccc(N(C)C(=O)c2cnn(C(C)(C)C)c2)c(OC)c1
282952173	ZINC000127632618	ref	5.45	-9.65	0	315.344	2.597	2	3	7	O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1CO
342594932	ZINC000590771641	ref	3.32	-6.69	0	267.354	1.453	0	5	4	CCOc1cnc(C(=O)N2CC[C@H](SC)C2)cn1
361823411	ZINC000612425541	ref	3.61	-6.77	0	317.376	2.106	2	3	5	O=C(C[C@]12CCCC[C@H]1C2(F)F)NC[C@H](O)C1CCOCC1
361823416	ZINC000612425122	ref	3.58	-12.31	0	319.327	2.129	2	4	5	CCC[C@@H](O)CNC(=O)c1c(C(F)(F)F)nc2n1CCCC2
361823422	ZINC000612423926	ref	5.48	-7.6	0	321.417	2.056	2	4	7	CCC(CC)[C@@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1
361823428	ZINC000612425209	ref	2.99	-12.33	0	321.417	2.104	3	4	7	COc1ccc(C[C@H](CO)CNC(=O)[C@H]2CCC2(C)C)cc1O
361823433	ZINC000612425188	ref	2.61	-5.19	0	311.344	2.259	2	3	6	CCC(CC)[C@@H](O)CNC(=O)C1(C(F)(F)F)CCOCC1
361823438	ZINC000612424697	ref	4.05	-10.38	0	309.406	2.376	2	4	8	CC[C@H](C)[C@@H](O)CNC(=O)C(C)(C)Oc1ccc(OC)cc1
361823443	ZINC000612423878	ref	7.38	-34.52	1	318.461	2.218	3	2	8	CCC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1
361823450	ZINC000612423878	mid	7.18	-41.59	1	318.461	2.218	3	2	8	CCC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1
361823455	ZINC000612424067	ref	3.7	-9.55	0	309.406	2.296	2	4	9	CCC(CC)[C@H](O)CNC(=O)[C@H](OC)c1cccc(OC)c1
361823465	ZINC000612425215	ref	0.53	-8.74	0	303.362	2.264	2	5	7	CCC(CC)[C@@H](O)CNC(=O)c1coc(-c2cccnc2)n1
361823470	ZINC000612425648	ref	3.11	-8.26	0	319.392	2.496	2	3	5	CCC1(C(=O)NC[C@@H](O)C2CCOCC2)CCC(F)(F)CC1
361823475	ZINC000612423341	ref	5.89	-40.93	1	304.434	2.143	3	2	8	CCC[C@H](O)CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1
361823482	ZINC000612425208	ref	3.09	-11.4	0	321.417	2.104	3	4	7	COc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2CCC2(C)C)cc1O
361823487	ZINC000612425364	ref	4.87	-8.29	0	317.429	2.258	2	3	5	CC1(C)C[C@]1(C(=O)NC[C@H](O)C1CCOCC1)c1ccccc1
187168811	ZINC000125090813	ref	4.8	-17.98	0	291.376	1.783	1	4	2	Cc1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cn1
187168812	ZINC000125085881	ref	7.77	-8.31	0	266.41	3.033	0	3	5	Cc1cnc(CCN(C)C(=O)CC2CCCC2)s1
398248270	ZINC000650870299	ref	2.77	-11.92	0	298.358	1.646	3	3	8	COc1cccc(C[C@@H](C)NC(=O)N[C@@H](CO)CCF)c1
187168813	ZINC000125087424	ref	8.82	-46.3	1	257.381	3.316	1	2	6	CCc1ccc([C@@H](C)[NH2+]Cc2ccnn2CC)cc1
187168814	ZINC000125087424	high	7.7	-6.18	0	257.381	3.316	1	3	6	CCc1ccc([C@@H](C)NCc2ccnn2CC)cc1
187168815	ZINC000125085410	ref	4.34	-12.67	0	269.322	1.132	1	5	3	COC(=O)c1ccc(C(=O)N2CCC[C@H]2CO)s1
178300452	ZINC000039109969	ref	1.14	-52.64	-1	218.216	0.801	2	6	1	Cc1cc2nc(C(=O)[O-])c(N)nc2cc1N
178300455	ZINC000048356747	ref	6.24	-8.98	0	212.252	3.44	1	2	1	Cc1cc2nc(-c3ccco3)[nH]c2cc1C
349534462	ZINC000621234687	ref	7.4	-14.43	0	293.411	2.109	0	4	7	CCn1cc(CC(=O)N2CC[C@@H](OCCC(C)C)C2)cn1
178300458	ZINC000359811191	ref	4.77	-10.55	0	238.294	2.878	2	3	3	Cc1cc2n[nH]cc2cc1NCc1ccccn1
361823405	ZINC000351631100	ref	0.87	-12.04	0	292.383	1.389	0	6	5	CC(=O)CCC(C)(C)c1nc([C@H]2CN3CCN2CC3)no1
187168816	ZINC000125081032	ref	8.49	-7.93	0	284.359	2.074	0	3	4	CN(CCN1C(=O)[C@H]2CC=CC[C@H]2C1=O)c1ccccc1
178300462	ZINC000336394142	ref	6.02	-12.84	0	243.31	2.856	2	2	3	Cc1cc2n[nH]cc2cc1NC(=O)C[C@H]1C[C@H]1C
398248274	ZINC000650869440	ref	4.18	-8.36	0	282.384	1.62	1	3	2	CC1(C)CN(C(=O)NC[C@H]2CC2(C)C)[C@@H]2COC[C@H]2O1
349534465	ZINC000621234342	ref	6.59	-9.63	0	293.411	2.26	0	4	6	CCc1c(C(=O)N2CC[C@@H](OCCC(C)C)C2)cnn1C
187168818	ZINC000125080395	ref	0.48	-7.57	0	297.298	2.163	2	4	5	CC[C@H](O)CNc1ccc(S(=O)(=O)C(F)(F)F)cc1
178300466	ZINC000336394142	mid	5.92	-11.03	0	243.31	2.856	2	2	3	Cc1cc2[nH]ncc2cc1NC(=O)C[C@H]1C[C@H]1C
178300468	ZINC000002731995	ref	6.01	-8.18	0	245.248	2.889	1	3	1	Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C1CC1)N2
178300472	ZINC000062525143	ref	4.61	-5.15	0	209.676	3.913	0	2	1	Cc1cc2nc(C(C)C)oc2cc1Cl
187168819	ZINC000125090399	ref	7.94	-6.81	0	263.381	2.593	0	2	3	O=C(C(C1CC1)C1CC1)N1CCO[C@H]2CCCC[C@H]21
398248277	ZINC000650869059	ref	4.09	-13.79	0	293.383	1.476	1	3	3	O=C(NCCN1CCSCC1)N1CCCC(F)(F)C1
398248281	ZINC000650869059	mid	6.51	-50.45	1	293.383	1.476	2	2	3	O=C(NCC[NH+]1CCSCC1)N1CCCC(F)(F)C1
214183804	ZINC000337622263	ref	1.51	-19.5	0	257.29	-0.734	1	6	8	CN(CCOCCO)C(=O)COc1cnn(C)c1
214183809	ZINC000337623941	ref	6.24	-8.14	0	289.354	3.293	2	2	4	Cc1[nH]nc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1C
214183815	ZINC000337623941	mid	6.28	-8.03	0	289.354	3.293	2	2	4	Cc1n[nH]c(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1C
214183820	ZINC000337622899	ref	5.21	-16.73	0	277.311	2.412	1	3	7	CC(=O)CCCC(=O)N[C@@H]1CCCC[C@@H]1OC(F)F
214183827	ZINC000337622033	ref	7.2	-7.63	0	287.407	2.491	2	3	6	C[C@H]1CC[C@@H](CNC(=O)c2ccc(NCC3CC3)nc2)C1
214183833	ZINC000337622358	ref	2.89	-14.22	0	297.359	0.37	3	6	7	CCOC[C@H](O)CNC(=O)Nc1nc(C)cc(N(C)C)n1
214183838	ZINC000337622124	ref	0.17	-12.4	0	273.333	-0.429	2	4	8	COCCOCCNC(=O)NCC(=O)N1CCCC1
214183843	ZINC000337622178	ref	6.24	-39.68	1	267.373	0.406	1	2	4	CC(C)[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)[NH+](C)C
190493354	ZINC000269428333	ref	0.77	-9.4	0	296.298	0.292	2	4	2	Cc1cc(F)cc(NC(=O)C(=O)N2CCO[C@H](CO)C2)c1
214183846	ZINC000337622178	high	4.36	-8.9	0	267.373	0.406	0	3	4	CC(C)[C@H](C(=O)N1CCN(C2CC2)C(=O)C1)N(C)C
197591677	ZINC000162789234	ref	7.64	-12.09	0	303.406	2.879	1	3	1	Cc1cc(=O)n(C)cc1NC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C
290622369	ZINC000492521143	ref	3.29	-13.96	0	294.767	2.225	1	5	4	Cc1nnc(CNC(=O)/C=C/c2ccnc(Cl)c2)s1
190493355	ZINC000269424789	ref	6.74	-43.57	1	263.385	2.275	2	2	6	CC(C)c1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cn1
342594933	ZINC000590772436	ref	5.19	-14.85	0	291.351	1.777	1	5	6	CCOC(=O)C1(CC(=O)N[C@H](C)c2cnccn2)CCC1
197591680	ZINC000162788238	ref	6.53	-7.0	0	302.349	2.976	2	2	3	CC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12
290622372	ZINC000492521627	ref	6.45	-11.77	0	292.404	2.457	0	4	4	CC[C@@H]1CN(C(=O)/C=C\c2cncc(OC)c2)CCS1
214183861	ZINC000337624040	ref	2.43	-16.01	0	298.306	0.595	2	5	1	Cn1c(=O)[nH]c2ccc(C(=O)N3CCc4n[nH]nc4C3)cc21
214183866	ZINC000337624040	mid	2.47	-17.66	0	298.306	0.595	2	5	1	Cn1c(=O)[nH]c2ccc(C(=O)N3CCc4[nH]nnc4C3)cc21
192037547	ZINC000273074367	ref	2.17	-13.71	0	270.279	0.82	2	3	5	O=C(CN[C@@H](CO)c1c(F)cccc1F)N1CCC1
214183869	ZINC000337622381	ref	6.01	-21.19	0	296.355	2.469	2	4	4	N#Cc1ccsc1C(=O)NCCc1c[nH]c2ncccc12
398248279	ZINC000069831489	ref	6.71	-8.01	0	224.263	3.44	1	3	3	c1ccc(NCc2cc3ccccc3o2)nc1
214183878	ZINC000337621446	ref	5.96	-8.33	0	257.399	2.181	0	3	5	COCC1=CCN(C(=O)C(C)(C)CSC)CC1
342594934	ZINC000590772164	ref	4.43	-15.76	0	259.309	1.902	1	4	4	COc1ccnc(C(=O)N[C@H]2CC[C@@H](CC#N)C2)c1
365632825	ZINC000122887320	ref	6.0	-81.43	2	299.418	2.302	2	2	5	CCCc1cc(N2CC[NH+](CCO)CC2)c2ccccc2[nH+]1
187168820	ZINC000125087620	ref	6.23	-10.56	0	291.395	2.465	1	3	4	O=C(CC[C@H]1CCCCO1)N1CCC(c2cc[nH]n2)CC1
365632833	ZINC000122887320	mid	3.65	-26.03	1	299.418	2.302	1	3	5	CCCc1cc(N2CCN(CCO)CC2)c2ccccc2[nH+]1
365632836	ZINC000122887320	high	3.35	-7.82	0	299.418	2.302	1	4	5	CCCc1cc(N2CCN(CCO)CC2)c2ccccc2n1
342594935	ZINC000590771608	ref	7.14	-9.89	0	279.409	1.876	0	4	2	CS[C@H]1CCN(C(=O)c2c3c(nn2C)CCCC3)C1
187168821	ZINC000125089657	ref	9.16	-14.88	0	287.359	2.344	0	3	3	C[C@H]1[C@H](c2ccccc2)CCN1C(=O)C[C@H]1COC(=O)C1
342594936	ZINC000590772686	ref	3.8	-43.48	-1	258.277	1.267	1	4	3	N#Cc1cc(O)cc(C(=O)N(C2CC2)C2COC2)c1
187168822	ZINC000125083158	ref	6.74	-12.06	0	271.316	2.429	1	3	3	O=C(/C=C/c1cc2ccccc2o1)N1CCC[C@H]1CO
187168823	ZINC000125084567	ref	4.42	-46.71	1	283.763	0.691	2	5	2	CNc1c(Cl)ncnc1N1C[C@H]2[C@@H](C1)OCC[N@@H+]2C
214183813	ZINC000053448540	ref	5.04	-11.09	0	331.332	2.009	0	7	3	Cc1noc(C2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)n1
365632841	ZINC000122841995	ref	8.98	-87.24	2	293.43	2.456	2	1	6	C[C@@H](c1ccccc1F)[N@H+](C)CCCN1CC[NH+](C)CC1
187168824	ZINC000125084567	mid	4.52	-46.73	1	283.763	0.691	2	5	2	CNc1c(Cl)ncnc1N1C[C@H]2[C@@H](C1)OCC[N@H+]2C
187168825	ZINC000125084567	mid	2.33	-7.92	0	283.763	0.691	1	6	2	CNc1c(Cl)ncnc1N1C[C@H]2[C@@H](C1)OCCN2C
282122141	ZINC000533469443	ref	1.9	-12.36	0	298.305	1.368	2	3	5	C[C@H](O)[C@H]1CCCN(C(=O)NCCOCC(F)(F)F)C1
187168826	ZINC000125085213	ref	5.57	-9.38	0	274.355	2.22	0	2	4	CC[C@H]1CN(C(=O)[C@@H]2CC2(C)C)CCN1CC(F)F
282122146	ZINC000533467882	ref	5.62	-10.29	0	252.293	1.063	0	4	2	CC(=O)N(C)C1CCN(c2ncc(F)cn2)CC1
187168827	ZINC000125081294	ref	3.46	-11.31	0	280.372	1.148	2	4	4	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](C)c1cnn(C)c1
187168828	ZINC000125081425	ref	3.43	-9.46	0	295.354	2.182	2	3	7	COCCC1(C(=O)NC[C@H](O)c2cccc(F)c2)CCC1
282122150	ZINC000533468783	ref	7.21	-9.72	0	291.282	1.315	1	6	6	COC(=O)c1ccc(OCCNc2ncc(F)cn2)cc1
187168829	ZINC000125088627	ref	7.74	-39.94	1	258.381	2.363	2	1	7	CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCF)C1
282122156	ZINC000533469812	ref	2.68	-15.38	0	292.383	1.589	3	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)C1
197591690	ZINC000290091196	ref	4.82	-8.96	0	291.391	2.432	2	3	7	COCCC1(C(=O)N[C@H](C)[C@H](O)c2ccccc2)CCC1
365632829	ZINC000641596565	ref	1.91	-11.8	0	294.376	1.334	1	4	5	O=S(=O)(NC/C=C\c1cccnc1)[C@@H]1C[C@@H]2CC[C@H]1O2
178300454	ZINC000237157114	ref	9.3	-66.03	-1	357.41	1.889	1	6	6	COC[C@](C)(NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)C(=O)[O-]
365632834	ZINC000641601939	ref	3.01	-11.06	0	298.346	1.728	2	5	6	COc1cccc(C2(CNc3nccnc3C(N)=O)CC2)c1
365632842	ZINC000641600087	ref	-2.03	-44.77	-1	290.367	1.762	1	5	6	CCC(C)(C)c1n[n-]c(=NC[C@@H](CO)c2cccnc2)o1
365632845	ZINC000641596307	ref	2.48	-9.24	0	286.397	1.456	1	4	7	CCNS(=O)(=O)c1ccccc1N(C)C[C@@H](C)OC
365632852	ZINC000641596275	ref	3.29	-14.09	0	252.339	1.424	1	3	6	O=S(=O)(CC1CC1)NC/C=C/c1cccnc1
178300459	ZINC000237162811	ref	5.28	-43.68	1	351.472	1.358	1	3	4	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCC2
365632857	ZINC000641596598	ref	2.39	-13.35	0	296.392	1.441	1	4	7	O=S(=O)(CC[C@H]1CCOC1)NC/C=C\c1cccnc1
365632863	ZINC000641596649	ref	4.3	-15.83	0	265.284	1.431	1	3	3	CCOc1c(F)cccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365632868	ZINC000641596238	ref	2.82	-10.39	0	269.37	1.271	1	3	7	CCN(CC)S(=O)(=O)NC/C=C\c1cccnc1
365632874	ZINC000641596569	ref	3.88	-10.04	0	295.408	1.804	1	3	5	C[C@H]1CCCCN1S(=O)(=O)NC/C=C\c1cccnc1
290622373	ZINC000492520033	ref	5.84	-42.18	1	288.391	2.396	3	2	5	CCC[NH+]1CCC(NC(=O)/C=C\c2cccc(O)c2)CC1
365632879	ZINC000641596328	ref	1.76	-13.4	0	270.354	1.051	1	4	8	CCOCCS(=O)(=O)NC/C=C/c1cccnc1
365632885	ZINC000641600309	ref	8.67	-45.91	1	291.443	1.674	1	4	9	CN(C)CC[N@H+](C)CCCN(C)c1cc(C2CC2)ncn1
365632887	ZINC000641600309	mid	8.65	-45.85	1	291.443	1.674	1	4	9	CN(C)CC[N@@H+](C)CCCN(C)c1cc(C2CC2)ncn1
365632891	ZINC000641600309	mid	8.84	-40.67	1	291.443	1.674	1	4	9	CN(CCCN(C)c1cc(C2CC2)ncn1)CC[NH+](C)C
282122142	ZINC000248970254	ref	4.34	-13.56	0	314.363	1.295	1	5	4	Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@H](C)[C@H]1CO
412491682	ZINC000655150483	ref	-0.27	-15.3	0	285.388	0.881	4	3	7	C[C@H](CC(=O)N[C@@H](CO)CC1CCCCC1)NC(N)=O
365632896	ZINC000641596523	ref	2.18	-11.16	0	296.392	1.582	1	4	5	CC1(C)C[C@H](S(=O)(=O)NC/C=C\c2cccnc2)CO1
365632902	ZINC000641600425	ref	5.26	-12.13	0	277.343	1.702	1	3	2	CC(=O)N1C[C@@H]2CCC[C@H](Nc3ccncc3F)[C@H]2C1
365632907	ZINC000641600425	low	5.77	-40.03	1	277.343	1.702	1	2	2	CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc[nH+]cc3F)[C@H]2C1
398248282	ZINC000442704883	ref	6.47	-9.68	0	237.343	1.796	1	2	2	C[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)[C@H]1CO
187168830	ZINC000125088627	mid	7.95	-34.5	1	258.381	2.363	2	1	7	CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCF)C1
187168831	ZINC000125084931	ref	7.91	-48.31	1	263.772	3.407	1	2	5	CCn1nccc1C[NH2+][C@@H](C)c1cccc(Cl)c1
187168832	ZINC000125084931	mid	6.74	-5.98	0	263.772	3.407	1	3	5	CCn1nccc1CN[C@@H](C)c1cccc(Cl)c1
365632838	ZINC000617418353	ref	3.15	-24.65	0	286.353	0.662	0	4	4	CN(Cc1ccoc1)C(=O)[C@@H]1CCCN1S(C)(=O)=O
187168833	ZINC000125084986	ref	6.78	-12.9	0	299.802	2.387	1	3	4	C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)[C@H]1CCCO1
187168834	ZINC000125080018	ref	5.84	-44.48	1	275.751	2.622	1	2	9	COCCOCCC[NH2+]Cc1cccc(Cl)c1F
342088334	ZINC000121502263	ref	6.8	-43.31	1	290.411	1.751	1	3	3	CCc1nccn1[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1
187168835	ZINC000125080018	high	4.48	-8.04	0	275.751	2.622	1	3	9	COCCOCCCNCc1cccc(Cl)c1F
365632847	ZINC000617424199	ref	5.7	-50.05	1	263.345	0.74	2	4	2	C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2ncnn21
187168836	ZINC000125084963	ref	3.02	-15.85	0	278.308	1.621	2	5	4	CCC[C@@](C)(O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
365632855	ZINC000617424199	mid	6.0	-49.23	1	263.345	0.74	2	4	2	C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2ncnn21
187168837	ZINC000125091175	ref	4.21	-9.65	0	265.382	2.085	2	3	4	Cc1cccnc1CNC(=O)NC[C@@H]1CCCS1
187168838	ZINC000125087792	ref	1.82	-47.73	1	283.278	-0.076	2	2	3	[NH3+]CC(=O)NCC(=O)N1CCc2c(F)ccc(F)c2C1
185087512	ZINC000096071979	ref	6.8	-14.56	0	299.374	2.214	0	4	1	C[C@@H]1CO[C@]2(CCN(C(=O)c3nn(C)c4ccccc34)C2)C1
187168839	ZINC000125087792	mid	1.43	-9.57	0	283.278	-0.076	2	3	3	NCC(=O)NCC(=O)N1CCc2c(F)ccc(F)c2C1
187168840	ZINC000125087563	ref	5.58	-10.93	0	299.374	2.086	1	4	3	Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H]2CO)c1C
187168841	ZINC000125087375	ref	0.08	-18.41	0	253.258	0.876	3	5	6	CC[C@H](O)CNc1ccc(C(N)=O)cc1[N+](=O)[O-]
334930844	ZINC000573355205	ref	4.82	-52.86	1	269.389	0.7	1	2	1	C[C@H]1CN(C(=O)C(=O)N(C)[C@@H](C)C(C)(C)C)CC[NH2+]1
187168843	ZINC000125091344	ref	7.46	-16.43	0	294.761	2.868	1	4	4	C[C@@H](NCc1cccc(Cl)c1F)c1nnc2n1CCC2
187168844	ZINC000125091344	low	8.62	-46.37	1	294.761	2.868	1	3	4	C[C@@H]([NH2+]Cc1cccc(Cl)c1F)c1nnc2n1CCC2
349534464	ZINC000602430051	mid	2.75	-44.31	1	228.248	0.275	2	5	6	CC[N@H+](CCO)Cc1cc(C(=O)OC)no1
187168845	ZINC000125086212	ref	5.08	-7.59	0	286.347	2.341	1	3	3	C[C@H](C(=O)Nc1cccc(F)c1F)N1CCSCC1
398248283	ZINC000069831489	low	7.18	-32.36	1	224.263	3.44	1	2	3	c1ccc(NCc2cc3ccccc3o2)[nH+]c1
365632849	ZINC000122841995	mid	8.99	-87.27	2	293.43	2.456	2	1	6	C[C@@H](c1ccccc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1
365632851	ZINC000122841995	mid	6.63	-37.58	1	293.43	2.456	1	2	6	C[C@@H](c1ccccc1F)[N@H+](C)CCCN1CCN(C)CC1
365632853	ZINC000122841995	mid	6.61	-37.13	1	293.43	2.456	1	2	6	C[C@@H](c1ccccc1F)[N@@H+](C)CCCN1CCN(C)CC1
343993740	ZINC000079911470	ref	5.36	-12.9	0	292.379	2.246	1	4	4	CCC1(O)CCN(C(=O)c2ncccc2OC(C)C)CC1
168364671	ZINC000368496839	ref	8.4	-45.98	1	329.469	3.264	2	3	4	Cc1nscc1C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1
365632858	ZINC000122841995	high	4.96	-3.36	0	293.43	2.456	0	3	6	C[C@@H](c1ccccc1F)N(C)CCCN1CCN(C)CC1
365632862	ZINC000122909471	ref	7.86	-10.3	0	271.368	2.385	0	5	3	CCc1nccn1[C@@H]1CCCN(c2nccc(C)n2)C1
197591686	ZINC000162798872	ref	2.06	-7.76	0	302.168	2.309	2	3	5	CC[C@@H](COC)NC(=O)c1ccc(Br)c(O)c1
365632866	ZINC000122909471	mid	8.33	-30.43	1	271.368	2.385	0	4	3	CCc1[nH+]ccn1[C@@H]1CCCN(c2nccc(C)n2)C1
197591689	ZINC000162798872	mid	2.81	-45.63	-1	302.168	2.309	1	3	5	CC[C@@H](COC)NC(=O)c1ccc(Br)c([O-])c1
365632872	ZINC000122861706	ref	11.45	-14.83	0	293.37	2.344	0	3	1	C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C[C@@H]1n1ccnc1
365632878	ZINC000122861706	low	11.97	-36.67	1	293.37	2.344	0	2	1	C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C[C@@H]1n1cc[nH+]c1
365632881	ZINC000122887875	ref	7.17	-9.92	0	289.375	2.462	0	3	2	Cc1ccccc1[C@H]1CN(C(=O)[C@@H]2CCCO2)[C@H](C)CO1
365632889	ZINC000122842001	ref	4.83	-8.34	0	275.414	2.004	0	3	6	CCC1(CC)[C@@H](N(C)S(=O)(=O)C2CC2)C[C@H]1OC
365632894	ZINC000122808158	ref	9.32	-31.13	1	264.413	2.365	1	1	3	C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1
365632899	ZINC000122808158	high	6.49	-5.31	0	264.413	2.365	0	2	3	C[C@@H]1C[C@@H](C)CN(C(=O)[C@@H](C2CC2)N2CCCC2)C1
365632905	ZINC000122932535	ref	4.17	-10.77	0	271.299	2.165	1	5	4	CN(C)c1ccc(CNc2cnc(C#N)cn2)cc1F
365632922	ZINC000122929567	ref	5.5	-8.63	0	290.407	2.321	0	3	5	COCCN(C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C
342078011	ZINC000625287673	ref	7.29	-18.7	0	296.411	1.661	0	3	5	CCO[C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)C(C)C
342078012	ZINC000617964042	ref	4.32	-9.35	0	255.358	1.875	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)[C@H]2CCCO2)C1
342078013	ZINC000617964043	ref	4.13	-12.73	0	290.363	1.843	1	4	5	CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2c2ccncc2)C1
342078014	ZINC000237989039	ref	4.57	-8.43	0	299.418	1.616	3	1	3	O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1[NH2+]CCc2ccccc21
178300464	ZINC000237154948	ref	6.61	-63.37	1	354.476	1.998	2	6	8	COC(=O)CCCc1nnc(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)s1
187168846	ZINC000125086212	low	6.97	-41.58	1	286.347	2.341	2	2	3	C[C@H](C(=O)Nc1cccc(F)c1F)[NH+]1CCSCC1
190493357	ZINC000269422301	ref	8.07	-12.05	0	297.301	2.061	0	3	4	COC(=O)C[C@H]1CCCN1C(=O)Cc1c(F)cccc1F
178300470	ZINC000237175588	ref	6.74	-48.24	1	350.426	1.948	1	5	3	C[NH2+]C1CCN(C(=O)c2nnn(-c3cccc4cnccc34)c2C)CC1
190493358	ZINC000269428353	ref	-2.77	-13.95	0	278.264	-0.693	3	5	5	COC[C@H](O)CNC(=O)c1ccc2c(c1)C(=O)NC2=O
190493359	ZINC000269428353	high	-4.58	-48.04	-1	278.264	-0.693	2	5	5	COC[C@H](O)CNC(=O)c1ccc2c(c1)C(=O)[N-]C2=O
187168847	ZINC000125083346	ref	4.02	-11.89	0	299.798	2.558	2	3	8	CC[C@@H](O)CCNC(=O)CCc1ccc(OC)c(Cl)c1
187168848	ZINC000125081055	ref	5.58	-9.69	0	284.4	2.012	1	3	5	C[C@@H](NC(=O)N(C)CCC1CCOCC1)[C@H]1CCCO1
190493360	ZINC000269426646	ref	5.83	-7.18	0	278.352	2.277	1	4	4	CC(C)c1ccc(C(=O)NCC(=O)OC(C)(C)C)cn1
187168849	ZINC000125086055	ref	-1.11	-50.0	1	273.239	-0.013	3	3	5	COc1cc(F)c(NC(=O)CNC(=O)C[NH3+])cc1F
187168850	ZINC000125086055	mid	-1.52	-11.24	0	273.239	-0.013	3	4	5	COc1cc(F)c(NC(=O)CNC(=O)CN)cc1F
187168851	ZINC000125089274	ref	0.35	-50.33	1	297.33	0.174	3	3	8	CC[C@@H](CNC(=O)CNC(=O)C[NH3+])Oc1ccccc1F
187168852	ZINC000125089274	mid	-0.05	-13.25	0	297.33	0.174	3	4	8	CC[C@@H](CNC(=O)CNC(=O)CN)Oc1ccccc1F
187168853	ZINC000125089910	ref	6.33	-9.13	0	296.392	2.482	1	5	7	CCOC(=O)CC[C@H](C)NC(=O)c1csc(C2CC2)n1
178300474	ZINC000237171105	ref	3.77	-41.94	1	353.488	1.121	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@]2(C)CCC[NH2+]C2)cc1
187168854	ZINC000125087422	ref	4.67	-8.69	0	267.394	2.286	2	3	6	CC[C@@H](SC)C(=O)NC[C@H](O)c1cccc(C)c1
178300478	ZINC000237155694	ref	5.51	-50.67	1	371.84	1.892	2	3	7	COCC[NH2+]CC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
178300482	ZINC000237155694	high	4.16	-17.9	0	371.84	1.892	2	4	7	COCCNCC(=O)N1CCC(C(=O)Nc2ccc(F)c(Cl)c2)CC1
187168855	ZINC000125083582	ref	2.38	-8.87	0	280.368	2.758	3	3	7	CCCOc1ccc(NC(=O)N[C@@](C)(CC)CO)cc1
349534466	ZINC000621494188	ref	4.99	-16.26	0	298.346	3.285	1	4	4	CC[C@H]1CCN1C(=O)Nc1ccc(Oc2cccnn2)cc1
349534470	ZINC000621492331	ref	7.77	-8.14	0	274.355	3.252	1	1	4	CC[C@@H]1CC[C@@H](C)N(C(=O)NCC[C@H]2CC2(F)F)C1
214183817	ZINC000053452338	ref	8.37	-14.16	0	341.461	4.644	1	5	5	C[C@H](Sc1nncs1)c1cccc(NC(=O)c2ccccc2)c1
214183819	ZINC000053459854	ref	8.41	-12.65	0	343.471	3.229	2	3	5	CC(=O)N[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1C)C1CCCC1
214183822	ZINC000053458204	ref	2.09	-12.76	0	327.431	1.486	2	5	5	CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2cccs2)n(C)c1
214183824	ZINC000053453953	ref	3.58	-17.03	0	343.383	2.064	3	4	8	CCCC(=O)Nc1ccc(CNC(=O)CNC(=O)c2ccoc2)cc1
342594937	ZINC000590772686	mid	3.8	-43.48	-1	258.277	1.267	0	4	3	N#Cc1cc([O-])cc(C(=O)N(C2CC2)C2COC2)c1
214183828	ZINC000053448219	ref	8.0	-13.06	0	329.375	3.027	0	4	3	Cc1noc(C2CCN(C(=O)[C@H]3C[C@@H]3c3ccc(F)cc3)CC2)n1
214183832	ZINC000053455256	ref	6.75	-21.05	0	338.82	2.378	1	5	3	Cn1cc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1
214183836	ZINC000053455415	ref	6.21	-22.97	0	333.417	2.233	2	5	4	CC(C)c1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)[nH]n1
214183837	ZINC000053455415	mid	5.23	-22.31	0	333.417	2.233	2	5	4	CC(C)c1cc(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)n[nH]1
214183840	ZINC000053459225	ref	7.86	-18.8	0	343.448	2.65	0	3	5	O=C([C@H]1CCS(=O)(=O)C1)N(Cc1ccccc1)Cc1ccccc1
214183844	ZINC000053457509	ref	8.16	-44.91	1	348.487	2.278	2	3	5	CC(=O)N1CCC[N@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1
214183848	ZINC000053457509	mid	8.11	-46.89	1	348.487	2.278	2	3	5	CC(=O)N1CCC[N@@H+](C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1
214183849	ZINC000053457509	mid	6.23	-12.51	0	348.487	2.278	1	4	5	CC(=O)N1CCCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1
214183853	ZINC000053451638	ref	6.19	-10.33	0	347.444	2.107	1	7	7	CC(C)CN(C(=O)CSc1nnnn1-c1ccc(O)cc1)C1CC1
214183858	ZINC000053455137	ref	7.52	-11.77	0	335.354	2.995	0	4	4	Cc1noc(C2CCN(C(=O)CCc3cc(F)ccc3F)CC2)n1
214183862	ZINC000053457985	ref	7.21	-9.09	0	326.387	3.037	1	2	5	C[C@H](c1cc(F)ccc1F)N(C)C(=O)CNC(=O)CC(C)(C)C
214183865	ZINC000053448220	ref	8.0	-12.76	0	329.375	3.027	0	4	3	Cc1noc(C2CCN(C(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)CC2)n1
197591694	ZINC000290089693	ref	3.19	-7.3	0	290.319	1.931	0	6	5	COc1cccc(Cc2noc([C@]3(OC)CCOC3)n2)c1
214183871	ZINC000053450148	ref	9.38	-48.16	1	341.455	2.248	2	3	8	O=C(Cc1ccc(-n2cccc2)cc1)NCCCC[NH+]1CCOCC1
168365973	ZINC000043291874	ref	3.26	-45.34	1	197.326	1.594	1	2	4	C[C@@H]([NH3+])[C@@H](N(C)CCC#N)C(C)(C)C
365632850	ZINC000623063990	ref	3.87	-51.04	1	300.362	1.422	2	4	6	CCn1cc(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)cn1
187168856	ZINC000125084002	ref	6.82	-10.72	0	284.359	2.41	1	3	2	Cc1cc(C#N)ccc1C(=O)N[C@H]1[C@@H]2CCO[C@@H]2C1(C)C
342078015	ZINC000237989039	mid	6.53	-40.98	1	299.418	1.616	3	2	3	O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1NCCc2ccccc21
187168857	ZINC000125089346	ref	4.7	-46.13	1	289.379	1.844	3	2	5	CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1
349534467	ZINC000602430051	mid	2.77	-44.03	1	228.248	0.275	2	5	6	CC[N@@H+](CCO)Cc1cc(C(=O)OC)no1
349534469	ZINC000602429670	ref	3.37	-45.01	1	207.277	0.406	2	2	4	C[NH2+]CCNC(=O)C1(C#N)CC2(CC2)C1
187168858	ZINC000125089346	mid	4.62	-45.78	1	289.379	1.844	3	2	5	CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1
214183818	ZINC000278484138	ref	9.54	-12.28	0	316.43	2.966	1	5	3	Cc1ccnc(-n2nc(C)cc2NC(=O)C2CCSCC2)c1
214183823	ZINC000278483494	ref	4.5	-16.97	0	315.347	1.307	1	6	7	CC(=O)Nc1ccccc1OS(=O)(=O)CCCOC(C)=O
187168859	ZINC000125089346	high	2.28	-15.82	0	289.379	1.844	2	3	5	CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1
187168860	ZINC000125087514	ref	4.28	-10.77	0	272.751	2.483	2	2	4	CC(C)(C)NC(=O)CNCc1cccc(Cl)c1F
365632854	ZINC000623063873	ref	2.6	-10.79	0	301.346	1.778	1	5	3	COc1ccccc1[C@H]1CNCCN1C(=O)c1ncc(C)o1
187168861	ZINC000125087514	mid	5.64	-46.41	1	272.751	2.483	2	1	4	CC(C)(C)NC(=O)C[NH2+]Cc1cccc(Cl)c1F
187168862	ZINC000125080037	ref	7.98	-37.97	1	277.412	2.672	2	2	4	CC(C)n1cccc1C(=O)NC1CC[NH+](C(C)C)CC1
187168863	ZINC000125079831	ref	0.05	-25.84	0	281.316	-0.932	2	6	6	C[C@@H](O)c1cn(CC(=O)N(C)CC(=O)NC2CC2)nn1
187168864	ZINC000125081958	ref	6.51	-10.66	0	296.367	2.09	1	5	6	CC(C)C[C@H](NC(=O)Cc1ccon1)C(=O)OC(C)(C)C
187168865	ZINC000125080174	ref	5.61	-12.33	0	299.411	2.896	2	3	7	CC[C@@H](SC)C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1
187168866	ZINC000125081595	ref	1.34	-46.14	1	255.362	0.392	3	2	5	CC(C)C1CCC(NC(=O)CNC(=O)C[NH3+])CC1
342078016	ZINC000237989039	high	4.57	-8.43	0	299.418	1.616	2	3	3	O=C(NC1CCN(C2CC2)CC1)[C@H]1NCCc2ccccc21
342078017	ZINC000625287070	ref	4.9	-7.18	0	292.383	1.479	1	5	6	CCC(CC)CNC(=O)c1ccnc(N2CCOCC2)n1
342078018	ZINC000625287093	ref	3.97	-33.48	1	264.373	1.862	1	4	3	C[C@H]1[C@@H](C)[N@H+](C)CCN1Cc1noc(C2CCC2)n1
342078019	ZINC000625287093	mid	4.48	-34.85	1	264.373	1.862	1	4	3	C[C@H]1[C@@H](C)[N@@H+](C)CCN1Cc1noc(C2CCC2)n1
342078020	ZINC000625287093	mid	2.2	-5.17	0	264.373	1.862	0	5	3	C[C@H]1[C@@H](C)N(C)CCN1Cc1noc(C2CCC2)n1
342078021	ZINC000625288068	ref	4.89	-8.67	0	290.392	1.847	1	5	6	CN(C)C(=O)C[C@@H](NCc1cnns1)c1ccccc1
342078022	ZINC000625288068	low	5.9	-43.45	1	290.392	1.847	1	4	6	CN(C)C(=O)C[C@@H]([NH2+]Cc1cnns1)c1ccccc1
342078023	ZINC000625287672	ref	7.34	-18.72	0	296.411	1.661	0	3	5	CCO[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)C(C)C
342078024	ZINC000625288863	ref	2.92	-8.62	0	261.387	1.662	1	3	5	CC[C@@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)C1CC1
342078025	ZINC000625288901	ref	4.7	-12.27	0	289.376	1.489	0	4	4	Cc1ncc(S(=O)(=O)N2CCC[C@H](CCF)C2)n1C
342078026	ZINC000617964140	ref	5.22	-18.05	0	284.4	1.611	2	3	8	CCO[C@@H]1C[C@@H](NC(=O)[C@H](CCC(C)C)NC(C)=O)C1
187168867	ZINC000125081595	mid	0.93	-8.46	0	255.362	0.392	3	3	5	CC(C)C1CCC(NC(=O)CNC(=O)CN)CC1
185087514	ZINC000096072090	ref	4.19	-14.59	0	290.363	1.739	0	4	4	COCC[C@H]1CO[C@]2(CCN(C(=O)c3cccnc3)C2)C1
187168868	ZINC000125086975	ref	4.32	-12.05	0	286.375	2.403	3	2	3	C[C@H]1CCc2[nH]c3ccc(C(=O)N[C@@H](C)CO)cc3c2C1
342078027	ZINC000625288749	ref	5.01	-6.73	0	281.444	1.518	2	1	7	C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC12CC2
187168869	ZINC000125086793	ref	3.34	-11.02	0	265.285	2.018	1	4	5	COCc1csc(NC(=O)N(C)CC(F)F)n1
187168870	ZINC000125080676	ref	3.01	-6.75	0	262.231	1.948	2	2	3	C[C@H](CO)N(C)C(=O)Nc1ccc(F)c(F)c1F
342078028	ZINC000625288749	high	7.49	-36.36	1	281.444	1.518	1	2	7	CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC12CC2
342078029	ZINC000625288749	high	5.01	-6.73	0	281.444	1.518	0	3	7	CN(C)CCN(CCN(C)C)C(=O)[C@@H]1CCCC12CC2
187168871	ZINC000125086400	ref	8.01	-33.41	1	260.381	2.423	2	1	5	CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NCc2ccccc2)C1
342078030	ZINC000625288343	ref	6.71	-19.27	0	287.294	1.951	1	3	2	O=C(c1cc(=O)[nH]cn1)N1CC[C@@H](c2cccc(F)c2)C1
342078031	ZINC000625288343	high	5.56	-43.75	-1	287.294	1.951	0	3	2	O=C(c1cc(=O)[n-]cn1)N1CC[C@@H](c2cccc(F)c2)C1
187168872	ZINC000125086400	mid	7.94	-33.1	1	260.381	2.423	2	1	5	CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)NCc2ccccc2)C1
187168873	ZINC000125086400	high	5.6	-6.65	0	260.381	2.423	1	2	5	CC[C@@H]1CCN([C@@H](C)C(=O)NCc2ccccc2)C1
342078032	ZINC000625288751	ref	5.03	-6.06	0	281.444	1.518	2	1	7	C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCC12CC2
342078033	ZINC000625288751	high	7.49	-49.35	1	281.444	1.518	1	2	7	CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCCC12CC2
185087516	ZINC000096071475	ref	1.32	-16.98	0	257.359	0.4	0	4	2	CS(=O)(=O)N1CCC[C@@]2(CCCN2CC#N)C1
365632859	ZINC000623063873	mid	3.74	-50.05	1	301.346	1.778	1	4	3	COc1ccccc1[C@H]1C[NH2+]CCN1C(=O)c1ncc(C)o1
365632864	ZINC000623064261	ref	3.39	-50.44	1	303.362	1.803	2	3	1	[NH3+][C@]12CCC[C@H]1CN(C(=O)Nc1ccc3c(c1)OCCO3)C2
365632869	ZINC000623064892	ref	4.35	-50.42	1	303.362	1.818	2	3	1	O=C(Nc1ccc2c(c1)OCCO2)N1CCC2(CC[NH2+]2)CC1
365632873	ZINC000623063779	ref	2.16	-11.29	0	316.361	1.427	1	6	4	CCc1nc(C(=O)N2CCNC[C@H]2c2ccccc2OC)no1
299072159	ZINC000459274529	ref	2.92	-11.61	0	314.323	2.514	3	2	6	CC[C@H](NC(=O)NC1CCC(C(F)F)CC1)[C@H](O)C(F)F
230744830	ZINC000425610945	ref	5.73	-13.42	0	316.357	2.392	0	5	7	COCCOc1ccc(C(=O)N(C)c2cc(OC)ccn2)cc1
342594938	ZINC000590772034	ref	5.75	-22.17	0	269.308	1.77	2	4	3	N#CC[C@@H]1CC[C@H](NC(=O)c2cnc3[nH]cnc3c2)C1
349534468	ZINC000621236056	ref	6.57	-12.92	0	288.395	2.008	0	4	3	CC(C)CC(=O)N1CCc2nnc(N3CCCC3)cc2C1
365639105	ZINC000354712818	low	9.15	-101.67	2	288.439	1.995	2	2	2	Cc1ccnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1
349534471	ZINC000621229541	ref	4.74	-7.28	0	275.274	2.493	1	3	4	Cc1nccc(C(=O)NCC(C)(C)CC(F)(F)F)n1
230744835	ZINC000425610083	ref	6.19	-17.88	0	317.345	2.052	2	5	5	COC(=O)COc1ccc(NC(=O)N[C@@H]2CC[C@H](C#N)C2)cc1
349534473	ZINC000621241807	ref	8.48	-58.03	-1	275.348	2.407	1	3	6	CC1CC(CNC(=O)C[C@@H](C(=O)[O-])c2ccccc2)C1
230744838	ZINC000425611855	ref	6.56	-22.18	0	309.395	2.006	1	6	4	CO[C@H](C)c1nc(C)c(C(=O)N=c2nc[nH]n2C(C)C)s1
230744843	ZINC000425613107	ref	7.01	-12.27	0	314.345	2.238	1	6	5	CCCCc1cnc(NC(=O)c2cc3c(cn2)OCCO3)nc1
190493367	ZINC000269426308	ref	5.79	-16.05	0	280.412	2.4	2	2	5	C=CC(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C
349534477	ZINC000621230368	ref	3.65	-12.48	0	276.258	2.496	2	2	4	CC(C)(CNC(=O)c1ccc(=O)[nH]c1)CC(F)(F)F
259309357	ZINC000323009159	ref	4.51	-28.86	1	208.305	2.617	1	2	5	CC[C@@](C)(CNc1cc[nH+]cc1C)OC
398248285	ZINC000650869689	ref	1.64	-10.64	0	286.351	1.545	3	4	7	CC(C)n1cc([C@H](C)NC(=O)N[C@@H](CO)CCF)cn1
197591700	ZINC000162790026	ref	5.28	-16.46	0	322.38	1.923	2	3	7	CNC(=O)C(C)(C)CNC(=O)C[C@H](C)C(=O)c1cccc(F)c1
212166475	ZINC000335489409	ref	8.13	-11.9	0	295.37	3.321	0	2	2	O=C(C1CCSCC1)N1CCC[C@@H](CC(F)(F)F)C1
212166477	ZINC000335490017	ref	6.64	-11.64	0	255.264	3.13	1	2	3	C[C@@H]1CC[C@H](C(=O)Nc2ccccc2C(F)F)O1
187168874	ZINC000125082902	ref	6.08	-11.17	0	285.294	2.199	0	4	4	CC(C)[C@@]1(C)CC(=O)N(Cc2nccn2C(F)F)C1=O
187168875	ZINC000125089924	ref	0.43	-48.33	1	297.33	0.174	3	3	8	CC[C@H](CNC(=O)CNC(=O)C[NH3+])Oc1cccc(F)c1
342594939	ZINC000590771640	ref	3.32	-6.7	0	267.354	1.453	0	5	4	CCOc1cnc(C(=O)N2CC[C@@H](SC)C2)cn1
365632860	ZINC000617415168	ref	5.59	-50.88	1	281.356	0.126	2	3	5	C[N@@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1
365632865	ZINC000617415168	mid	5.06	-48.87	1	281.356	0.126	2	3	5	C[N@H+]1CCC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1
187168876	ZINC000125089924	mid	0.02	-10.42	0	297.33	0.174	3	4	8	CC[C@H](CNC(=O)CNC(=O)CN)Oc1cccc(F)c1
342594940	ZINC000590772561	ref	7.97	-13.09	0	258.321	1.737	0	3	4	CC(C)N(C(=O)Cc1cccc(C#N)c1)C1COC1
187168877	ZINC000125081212	ref	2.05	-12.39	0	274.723	1.331	2	3	7	COCCNC(=O)CNCc1cccc(Cl)c1F
187168878	ZINC000125081212	mid	3.41	-47.15	1	274.723	1.331	2	2	7	COCCNC(=O)C[NH2+]Cc1cccc(Cl)c1F
342594941	ZINC000616962576	ref	4.33	-17.1	0	260.337	1.431	2	2	4	CC(C)[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
187168879	ZINC000125080047	ref	4.5	-13.5	0	290.319	2.151	1	4	3	C[C@@]1(C(=O)Nc2ccc(N3CCOC3=O)cc2)CCCO1
187168880	ZINC000125082975	ref	7.37	-89.1	2	298.434	2.591	2	2	4	Cc1cccc2c(N[C@@H](C)C[NH+]3CCN(C)CC3)cc[nH+]c12
187168881	ZINC000125082975	low	7.36	-75.53	2	298.434	2.591	2	2	4	Cc1cccc2c(N[C@@H](C)CN3CC[NH+](C)CC3)cc[nH+]c12
187168882	ZINC000125082975	high	4.63	-6.58	0	298.434	2.591	1	4	4	Cc1cccc2c(N[C@@H](C)CN3CCN(C)CC3)ccnc12
187168883	ZINC000125082975	high	4.99	-26.63	1	298.434	2.591	1	3	4	Cc1cccc2c(N[C@@H](C)CN3CCN(C)CC3)cc[nH+]c12
187168884	ZINC000125089306	ref	7.44	-8.14	0	286.47	2.803	2	6	8	CSC[C@H](C)Nc1cc(N[C@@H](C)CSC)ncn1
187168885	ZINC000125089306	low	7.92	-28.32	1	286.47	2.803	2	5	8	CSC[C@H](C)Nc1cc(N[C@@H](C)CSC)[nH+]cn1
187334644	ZINC000127816815	ref	3.07	-8.32	0	294.355	3.042	2	4	3	Cc1cnc(C(C)(C)NC(=O)Nc2ccc(F)nc2)s1
187168887	ZINC000125087873	ref	4.57	-8.61	0	267.394	2.286	2	3	6	CC[C@@H](SC)C(=O)NC[C@@H](O)c1cccc(C)c1
342594942	ZINC000590771963	ref	7.97	-19.42	0	298.452	1.987	0	3	2	CS[C@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1
187168888	ZINC000125080151	ref	6.71	-9.83	0	285.384	2.184	1	4	8	CCOC(=O)CC[C@@H](C)NC(=O)CC[C@H]1CCCCO1
187168889	ZINC000125089042	ref	3.85	-11.62	0	256.708	1.847	2	2	5	O=C(CNCc1cccc(Cl)c1F)NC1CC1
365632870	ZINC000617415168	high	2.7	-16.77	0	281.356	0.126	1	4	5	CN1CCC[C@@H](NC(=O)CCCN2C(=O)CCC2=O)C1
365632875	ZINC000617424127	ref	4.64	-18.86	0	250.302	0.969	1	5	3	C[C@@H]1C[C@H](NC(=O)C[C@H]2CCCO2)c2ncnn21
398248286	ZINC000625698672	ref	8.66	-5.29	0	249.398	3.674	1	1	7	C=CC[C@@H](C)NC(=O)CC(C1CCC1)C1CCC1
398248290	ZINC000069831476	ref	7.04	-6.27	0	240.306	3.259	1	3	6	C=CCOc1ccccc1CNc1ccccn1
214183826	ZINC000278484595	ref	5.42	-16.35	0	312.753	1.414	0	5	4	CO[C@H]1C[C@H](C(=O)OCc2ccc(Cl)nc2)N(C(C)=O)C1
214183830	ZINC000278483424	ref	5.25	-19.14	0	315.251	1.077	0	6	3	Cn1c(COc2ccnc(C(F)(F)F)c2)cc(=O)n(C)c1=O
214183835	ZINC000278483306	ref	9.06	-12.89	0	312.421	2.627	1	6	5	C1=CC[C@@H](CNc2cnn(Cc3nnc4n3CCCC4)c2)CC1
214183839	ZINC000278483356	ref	1.11	-47.16	1	301.184	1.475	2	3	5	OCC[C@@]1([NH2+]Cc2cncc(Br)c2)CCOC1
214183842	ZINC000278483356	high	0.03	-6.15	0	301.184	1.475	2	4	5	OCC[C@@]1(NCc2cncc(Br)c2)CCOC1
214183847	ZINC000278484072	ref	10.25	-17.39	0	320.396	3.056	0	4	2	Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)c3nccn4ccnc34)C2)cc1
214183851	ZINC000278484445	ref	6.08	-14.0	0	306.362	2.422	0	3	3	Cc1ccc(CS(=O)(=O)N2CCc3ccncc32)c(F)c1
214183854	ZINC000278484194	ref	4.24	-47.84	1	300.38	1.477	1	6	6	COC(=O)C(C)(C)C[NH2+]Cc1cnc(C2OCCO2)s1
214183857	ZINC000278484194	high	3.06	-9.51	0	300.38	1.477	1	7	6	COC(=O)C(C)(C)CNCc1cnc(C2OCCO2)s1
214183860	ZINC000278483135	ref	8.1	-10.76	0	321.398	3.07	0	6	7	COC[C@@H](OC(=O)COc1c(C)cccc1C)c1nccs1
214183864	ZINC000278482789	ref	3.97	-18.09	0	322.39	1.313	0	7	5	CCn1c(-c2ccncc2)nnc1S(=O)(=O)C[C@H]1CCCO1
214183868	ZINC000278484112	ref	6.44	-10.66	0	315.421	3.035	2	4	6	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)C[C@@H](C)C(C)C)n2)c1
214183872	ZINC000278483192	ref	9.72	-15.19	0	314.429	3.145	0	2	3	C[C@H]1CCC[C@H](C)N1C(=O)Cc1cccc(N2CCCC2=O)c1
214183876	ZINC000278483237	ref	9.54	-47.61	1	302.462	3.417	1	1	6	C[C@H](CC[NH2+][C@@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1
214183880	ZINC000278484617	ref	6.91	-36.91	1	324.852	3.38	2	2	5	Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)c(Cl)c1
214183883	ZINC000278483222	ref	6.2	-10.35	0	319.283	3.069	2	3	5	CC(C)CNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
214183887	ZINC000278483080	ref	5.48	-15.72	0	313.394	2.173	0	3	2	Cc1ccc(F)c(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c1
365632876	ZINC000354703001	ref	1.43	-11.11	0	262.353	1.627	2	3	5	C[C@H](O)CCCN1CC[C@H](C(N)=O)c2ccccc21
178300484	ZINC000237169913	ref	3.03	-47.31	1	353.85	1.392	2	4	7	COc1cc(/C=C/C(=O)NCCN2CC[NH2+]CC2)cc(Cl)c1OC
365632882	ZINC000354701736	ref	4.31	-6.62	0	257.374	1.979	1	3	6	CCOC[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)C(C)C
365632888	ZINC000354703708	ref	4.86	-22.55	0	281.352	1.866	1	2	4	O=C(C/C=C/c1ccccc1F)N[C@@H]1CC[S@@](=O)C1
178300488	ZINC000237167378	ref	5.46	-46.49	-1	363.151	1.894	1	4	6	COc1ccc(C(=O)NCCCC(=O)[O-])c(I)c1
365632895	ZINC000354701935	ref	2.64	-9.65	0	264.325	1.427	2	3	5	CO[C@]1(CNC(=O)c2cc[nH]c2C2CC2)CCOC1
365632900	ZINC000354701709	ref	5.31	-9.3	0	298.452	1.309	0	4	3	CC[C@@H]1CN(C(=O)[C@@H]2CCSC2)C[C@@H]1N1CCOCC1
342078034	ZINC000625288751	high	5.03	-6.06	0	281.444	1.518	0	3	7	CN(C)CCN(CCN(C)C)C(=O)[C@H]1CCCC12CC2
342078035	ZINC000625289407	ref	5.63	-40.5	1	269.389	1.288	2	2	2	C[C@H]1CN(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)C[C@@H](C)O1
365632903	ZINC000354701709	mid	6.85	-43.66	1	298.452	1.309	1	3	3	CC[C@@H]1CN(C(=O)[C@@H]2CCSC2)C[C@@H]1[NH+]1CCOCC1
178300496	ZINC000237166294	ref	5.93	-44.07	1	353.466	1.909	1	3	6	COc1ccccc1CN1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1
178300501	ZINC000237166294	low	8.24	-102.68	2	353.466	1.909	2	2	6	COc1ccccc1C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1
282122145	ZINC000183876610	high	5.68	-13.16	0	341.473	2.72	1	5	8	CCC(CC)(CN[C@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC
282122149	ZINC000336816796	ref	5.0	-42.14	1	283.334	2.891	1	2	6	CCC(CC)(C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)OC
282122152	ZINC000263099141	ref	7.28	-34.91	0	250.342	2.623	1	3	7	CCC(CC)(C[NH2+][C@H](C)c1ccccn1)C(=O)[O-]
282122162	ZINC000337496868	ref	8.03	-40.13	1	285.428	2.761	1	3	9	CCC(CC)(C[NH2+][C@H]1CCC[C@H]1CCOC)C(=O)OC
282122177	ZINC000411400178	ref	10.1	-42.92	1	293.382	3.251	1	2	7	CCC(CC)(C[NH2+][C@H]1C[C@H]1c1cccc(F)c1)C(=O)OC
230726143	ZINC000414288950	ref	7.58	-19.48	0	313.85	3.064	1	2	6	C[C@H](NC(=O)[C@H](C)[S@@](=O)CC1CC1)c1ccc(Cl)cc1
230726146	ZINC000414286555	ref	8.13	-47.09	1	319.474	3.472	1	4	6	CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2c2cnn(C)c2)s1
178300503	ZINC000237166294	high	5.63	-8.95	0	353.466	1.909	1	4	6	COc1ccccc1CN1CCN(C(=O)[C@@H](N)Cc2ccccc2)CC1
282122190	ZINC000263020036	ref	9.01	-34.92	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1)C(=O)[O-]
365632909	ZINC000354703379	ref	4.53	-11.81	0	299.318	1.912	1	4	6	CC[C@@H](CC(F)(F)F)NS(=O)(=O)c1cncn1CC
187168890	ZINC000125089042	mid	5.21	-47.72	1	256.708	1.847	2	1	5	O=C(C[NH2+]Cc1cccc(Cl)c1F)NC1CC1
187168891	ZINC000125088581	ref	8.04	-39.81	1	289.404	2.463	1	3	2	CN(C(=O)c1nc2ccccc2s1)[C@@H]1CCC[N@H+](C)C1
187168892	ZINC000125088581	mid	8.09	-33.73	1	289.404	2.463	1	3	2	CN(C(=O)c1nc2ccccc2s1)[C@@H]1CCC[N@@H+](C)C1
187168893	ZINC000125088581	mid	5.66	-8.57	0	289.404	2.463	0	4	2	CN1CCC[C@@H](N(C)C(=O)c2nc3ccccc3s2)C1
365632877	ZINC000623063779	mid	3.55	-51.64	1	316.361	1.427	1	5	4	CCc1nc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2OC)no1
187168894	ZINC000125088630	ref	7.47	-8.83	0	267.423	3.472	1	5	4	CSC[C@H](C)Nc1nc(C)nc2scc(C)c12
187168895	ZINC000125090649	ref	6.69	-46.56	1	277.261	3.113	1	1	4	Fc1cc(C[NH2+]C[C@H]2CCCO2)cc(C(F)(F)F)c1
230726127	ZINC000450384891	ref	8.7	-13.07	0	301.394	1.898	1	6	7	COCCC1(CNc2ccc3nnc([C@@H]4C[C@H]4C)n3n2)CC1
365632880	ZINC000623064260	ref	3.73	-52.71	1	303.362	1.803	2	3	1	[NH3+][C@@]12CCC[C@H]1CN(C(=O)Nc1ccc3c(c1)OCCO3)C2
365632884	ZINC000623064139	ref	3.44	-43.39	1	316.224	1.859	1	3	1	[NH3+][C@@]12CCC[C@H]1CN(C(=O)c1ncc(Br)s1)C2
187168896	ZINC000125090649	high	5.34	-3.64	0	277.261	3.113	1	2	4	Fc1cc(CNC[C@H]2CCCO2)cc(C(F)(F)F)c1
342594943	ZINC000590772509	ref	6.66	-38.62	1	280.335	1.615	1	6	4	Cc1nc(NCc2nccn2C)cc(-c2cccnc2)n1
342594944	ZINC000590772509	low	6.66	-38.62	1	280.335	1.615	1	5	4	Cc1nc(NCc2[nH+]ccn2C)cc(-c2cccnc2)n1
398248287	ZINC000062358712	ref	2.1	-44.98	1	239.344	1.261	2	3	3	C[C@@H](NC(=O)c1cscn1)[C@H]1CCC[NH2+]C1
187168898	ZINC000125086053	ref	1.68	-7.13	0	296.168	2.575	2	4	4	CC[C@H](O)CNc1ccnc2cc(Br)cnc12
187168899	ZINC000125089567	ref	2.61	-11.41	0	266.345	0.76	2	4	4	C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c1cnn(C)c1
187168900	ZINC000125087866	ref	8.1	-9.73	0	276.361	3.422	1	4	5	CS[C@H](C)CC(=O)Nc1cc(-c2ccccc2)on1
365632886	ZINC000623064814	ref	6.15	-56.29	1	319.796	1.555	1	4	2	C[C@H]1CN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C[C@@H]1[NH3+]
365632892	ZINC000623063579	ref	4.2	-47.49	-1	303.391	1.954	1	4	1	Nc1cccc(C2CCN(C(=O)N=c3[n-]ncs3)CC2)c1
187168901	ZINC000125088356	ref	8.12	-33.6	1	289.404	2.463	1	3	2	CN(C(=O)c1nc2ccccc2s1)[C@H]1CCC[N@H+](C)C1
187168902	ZINC000125088356	mid	8.05	-39.24	1	289.404	2.463	1	3	2	CN(C(=O)c1nc2ccccc2s1)[C@H]1CCC[N@@H+](C)C1
342594945	ZINC000590772573	ref	7.21	-15.56	0	295.31	1.862	0	4	4	COC(=O)c1ccc(C(=O)N(C(C)C)C2COC2)cc1F
365632883	ZINC000617423376	ref	4.05	-18.21	0	291.355	0.871	2	5	5	C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365632890	ZINC000617415738	ref	0.93	-23.13	0	276.402	0.268	1	4	5	CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCCN(C)C1
230726142	ZINC000450383006	ref	4.21	-17.1	0	318.483	1.989	1	3	8	CCC[C@H](CC(C)C)C(=O)N1CC[C@@H](S(=O)(=O)NCC)C1
365632893	ZINC000617415738	low	3.83	-60.65	1	276.402	0.268	2	3	5	CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](C)C1
365632898	ZINC000617415738	low	3.3	-56.86	1	276.402	0.268	2	3	5	CC(C)CS(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](C)C1
365632906	ZINC000617415946	ref	5.49	-51.66	1	288.351	0.952	3	3	3	C[N@@H+]1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1
365632910	ZINC000617415946	mid	6.03	-53.41	1	288.351	0.952	3	3	3	C[N@H+]1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1
365632914	ZINC000617415946	high	3.13	-17.14	0	288.351	0.952	2	4	3	CN1CCC[C@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1
365632916	ZINC000617415174	ref	5.03	-56.93	1	291.351	0.375	3	3	5	C[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1
230726155	ZINC000450383105	ref	4.57	-6.74	0	313.438	1.995	1	4	7	CCC1(CC)[C@H](NC(=O)[C@]2(COC)CCOC2)[C@@H](C)[C@H]1OC
365632918	ZINC000617415174	mid	4.51	-53.68	1	291.351	0.375	3	3	5	C[N@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1
365632920	ZINC000617415174	mid	2.14	-24.19	0	291.351	0.375	2	4	5	CN1CCC[C@@H](NC(=O)c2ccccc2OCC(N)=O)C1
282122147	ZINC000248969557	ref	5.7	-17.55	0	318.373	1.03	1	4	3	C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](C)[C@@H]2CO)C1=O
230726161	ZINC000450380202	ref	4.58	-10.29	0	301.35	1.539	1	7	6	C[C@@H](CO[C@H]1CCOC1)Nc1nccc(-c2cnccn2)n1
365632925	ZINC000617423709	ref	3.17	-17.1	0	273.3	0.225	2	7	2	Cc1ncc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c(N)n1
365632930	ZINC000617424129	ref	4.65	-20.89	0	250.302	0.969	1	5	3	C[C@@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)c2ncnn21
365632935	ZINC000617415815	ref	3.97	-48.73	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[N@H+](C)C1
365632939	ZINC000617415815	mid	3.44	-47.26	1	279.34	0.608	3	3	4	C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCC[N@@H+](C)C1
365632944	ZINC000617415815	mid	1.09	-12.01	0	279.34	0.608	2	4	4	C[C@@H](NC(=O)c1ccoc1)C(=O)N[C@H]1CCCN(C)C1
365632950	ZINC000617415209	ref	5.87	-51.24	1	263.341	0.449	2	3	4	C[N@@H+]1CCC[C@H](NC(=O)CCn2ccccc2=O)C1
295666216	ZINC000151175453	ref	8.1	-15.1	0	326.487	2.564	0	4	4	CS[C@H]1CCCCN(C(=O)CN(C)C(=O)c2cccs2)C1
365632953	ZINC000617415209	mid	6.41	-52.3	1	263.341	0.449	2	3	4	C[N@H+]1CCC[C@H](NC(=O)CCn2ccccc2=O)C1
349534472	ZINC000602429769	ref	6.64	-42.76	1	238.287	1.836	1	4	3	COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2C)on1
230726148	ZINC000414285708	ref	5.84	-46.78	1	320.433	3.118	2	3	6	COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C
342594946	ZINC000590772499	ref	10.04	-47.63	1	271.328	1.593	1	7	4	CC(C)c1cc(NCc2nccn2C)n2ncnc2n1
342594947	ZINC000590772499	low	10.04	-47.63	1	271.328	1.593	1	6	4	CC(C)c1cc(NCc2[nH+]ccn2C)n2ncnc2n1
190493370	ZINC000269426647	ref	8.39	-22.6	0	286.379	3.021	1	4	4	Cc1nnc(-c2cccc(NC(=O)[C@@H](C)C(C)C)c2)n1C
342594948	ZINC000590771691	ref	5.61	-9.95	0	253.371	1.56	0	4	3	CCc1c(C(=O)N2CC[C@H](SC)C2)cnn1C
349534474	ZINC000602429769	mid	7.02	-42.01	1	238.287	1.836	1	4	3	COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2C)on1
137823034	ZINC000408013862	ref	2.65	-21.73	0	291.351	0.762	1	4	2	CC(=O)c1c[nH]c(C(=O)N2CC[C@H]3OCCN(C)[C@@H]3C2)c1
342594949	ZINC000590771622	ref	8.02	-14.84	0	293.388	1.98	0	4	4	COC(=O)Cc1cccc(C(=O)N2CC[C@@H](SC)C2)c1
365632897	ZINC000623064688	ref	3.98	-55.01	1	324.356	1.902	1	4	2	C[C@H]1CN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C[C@@H]1[NH3+]
365632904	ZINC000623065256	ref	2.62	-57.99	1	316.361	1.176	3	3	3	CCC[C@H]1C[NH2+]CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
230726154	ZINC000414286174	ref	7.47	-46.18	1	306.406	3.357	2	3	6	CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H](O)C(C)C
197591712	ZINC000290091123	ref	7.05	-8.28	0	267.348	3.392	2	2	7	CCC[C@H](C)c1cc(NC(=O)C2(CCF)CC2)n[nH]1
197591714	ZINC000290089279	ref	4.85	-9.16	0	268.353	2.798	1	4	5	COc1cc(C)cc(OC)c1OC[C@@H](O)C(C)(C)C
365632908	ZINC000623065256	mid	1.31	-10.11	0	316.361	1.176	3	4	3	CCC[C@H]1CNCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
365632911	ZINC000623065256	high	-0.51	-45.89	-1	316.361	1.176	2	4	3	CCC[C@H]1CNCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365639108	ZINC000641608837	ref	3.58	-8.31	0	284.319	1.363	1	5	2	C[C@@H]1CN(c2cc(C(N)=O)ncn2)Cc2ccccc2O1
342594950	ZINC000590772692	ref	6.93	-11.42	0	289.331	1.405	0	4	5	COC(=O)Cc1cccc(C(=O)N(C2CC2)C2COC2)c1
342594951	ZINC000364812233	ref	3.61	-20.31	0	266.341	1.69	1	3	3	C=C(C)C[C@H](C)C(=O)N1CCC[C@]2(CNC(=O)O2)C1
342594952	ZINC000616962627	ref	2.52	-20.82	0	290.216	1.463	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(F)cc1C(F)(F)F
259309358	ZINC000323013614	ref	5.09	-7.96	0	242.363	2.243	1	2	4	CC[C@](C)(CNC(=O)N1CCC(C)CC1)OC
342594953	ZINC000616962547	ref	2.41	-16.53	0	250.298	1.023	2	3	4	CCc1cc(C(=O)N[C@H]2CCNC2=O)oc1CC
214183829	ZINC000293556610	ref	-1.65	-23.39	0	364.445	0.273	2	6	5	CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)o1
214183831	ZINC000293556610	mid	-2.11	-53.21	-1	364.445	0.273	1	6	5	C[N-]S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)o1
214183834	ZINC000293564480	ref	4.43	-19.38	0	370.45	0.691	1	4	3	CS(=O)(=O)N1CCN(C(=O)N[C@H]2CCN(c3ccccc3F)C2)CC1
214183841	ZINC000293560836	ref	3.29	-13.39	0	364.398	0.844	3	6	6	COC(=O)COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)cc1
214183845	ZINC000293560840	ref	3.32	-13.44	0	364.398	0.844	3	6	6	COC(=O)COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@@H]2C)cc1
214183852	ZINC000293561288	ref	2.4	-10.26	0	359.304	0.094	2	4	2	C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)CC1
214183855	ZINC000293557464	ref	4.46	-19.12	0	359.382	0.782	2	5	2	COC(=O)[C@H]1C[C@H](C)CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O
214183859	ZINC000293556030	ref	3.91	-83.19	0	364.431	0.629	2	6	6	C[C@H](CCCC[NH3+])NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2
365632901	ZINC000336550528	ref	3.47	-4.6	0	272.757	2.255	2	3	2	C[C@@H]1CC[C@H]1NC(=O)C(=O)Nc1ccsc1Cl
214183863	ZINC000293560055	ref	4.94	-15.43	0	366.422	0.482	3	7	5	Cc1nc(NC(=O)C(=O)N[C@H](CNC(=O)OC(C)(C)C)C2CC2)nn1C
398248289	ZINC000457193167	ref	3.97	-11.64	0	248.326	1.21	2	3	5	Cc1ccc(CCNC(=O)[C@@H](O)C2CCC2)nc1
214183867	ZINC000293565891	ref	1.0	-11.82	0	369.443	0.559	2	5	6	CCOC1CN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)C1
214183870	ZINC000293556912	ref	6.21	-17.96	0	352.395	0.269	2	7	3	Cn1cnc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1
214183873	ZINC000293560596	ref	6.19	-51.95	1	370.453	0.972	2	3	3	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)C2=O)cc1
214183879	ZINC000293561955	ref	1.43	-17.18	0	352.347	0.012	1	5	2	CN1C(=O)N[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)C1=O
365632912	ZINC000336550571	ref	4.77	-12.88	0	275.352	2.349	2	3	3	CC(=O)Nc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)nc1
178300489	ZINC000001627130	ref	5.5	-6.27	0	214.19	3.199	1	1	0	Cc1cc2nc(C(F)(F)F)[nH]c2cc1C
178300493	ZINC000002537054	ref	6.18	-7.19	0	245.248	2.889	1	3	1	Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@H](C1CC1)N2
214190410	ZINC000337636724	ref	0.55	-10.98	0	292.213	0.364	2	5	4	COC(=O)[C@H](CO)NC(=O)c1ccncc1C(F)(F)F
349534475	ZINC000621492910	ref	7.82	-10.25	0	280.318	3.318	1	1	3	C[C@H]1c2ccccc2CN1C(=O)NCC[C@@H]1CC1(F)F
342078036	ZINC000625289407	mid	5.96	-41.88	1	269.389	1.288	2	2	2	C[C@H]1CN(C(=O)NC[C@@H]2CC[C@H](C)[N@@H+]2C)C[C@@H](C)O1
342078037	ZINC000625289407	high	3.13	-8.79	0	269.389	1.288	1	3	2	C[C@H]1CN(C(=O)NC[C@@H]2CC[C@H](C)N2C)C[C@@H](C)O1
342078038	ZINC000617964050	ref	3.53	-8.53	0	264.329	1.151	1	5	7	C=CCCn1cc(C(=O)N[C@@H]2C[C@@H](OCC)C2)nn1
214183875	ZINC000053450148	mid	6.98	-13.06	0	341.455	2.248	1	4	8	O=C(Cc1ccc(-n2cccc2)cc1)NCCCCN1CCOCC1
342078039	ZINC000031612773	ref	2.45	-14.52	0	271.313	1.051	1	3	2	Cc1ccc(F)cc1C(=O)N[C@@H]1CCS(=O)(=O)C1
342078040	ZINC000625287786	ref	3.39	-15.18	0	274.39	1.013	0	5	6	CCC(C)(C)CS(=O)(=O)N(C)Cc1cn(C)nn1
342078041	ZINC000625288500	ref	1.17	-9.12	0	298.346	1.704	0	6	3	COc1cncc(CN2CCN3CCOc4cccc2c43)n1
214183877	ZINC000053454975	ref	7.62	-14.53	0	349.818	2.954	0	5	5	Cc1noc(C2CCN(C(=O)COCc3ccccc3Cl)CC2)n1
136229115	ZINC000292837302	ref	5.53	-42.25	1	245.326	1.291	3	1	5	C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ccc[nH]1
214183881	ZINC000053450055	ref	6.37	-47.09	1	335.835	2.663	3	2	6	O=C(NCCCC[NH+]1CCOCC1)c1cc2cc(Cl)ccc2[nH]1
214183884	ZINC000053450055	mid	3.98	-10.57	0	335.835	2.663	2	3	6	O=C(NCCCCN1CCOCC1)c1cc2cc(Cl)ccc2[nH]1
214183888	ZINC000053464754	ref	6.92	-15.26	0	347.367	2.33	1	6	8	COCCOc1ccccc1C(=O)NCc1cc(C(=O)OC)c(C)o1
214183891	ZINC000053450268	ref	5.3	-52.0	1	340.468	0.609	2	3	6	CN(C)C(=O)N1CCC(C(=O)NCCCC[NH+]2CCOCC2)CC1
214183895	ZINC000053450268	mid	2.9	-17.41	0	340.468	0.609	1	4	6	CN(C)C(=O)N1CCC(C(=O)NCCCCN2CCOCC2)CC1
214183899	ZINC000053455257	ref	7.37	-21.24	0	338.82	2.378	1	5	3	Cn1cc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)Nc1nccs1
214183903	ZINC000053448432	ref	7.76	-13.91	0	343.402	3.345	0	4	3	Cc1noc(C2CCN(C(=O)C3(c4cccc(F)c4)CCC3)CC2)n1
214183906	ZINC000053448373	ref	8.63	-12.2	0	343.427	3.433	0	5	5	Cc1noc(C2CCN(C(=O)CCc3ccc([C@H]4C[C@@H]4C)o3)CC2)n1
214183911	ZINC000053461383	ref	3.28	-32.25	0	343.408	2.335	2	4	4	NC(=O)c1csc(C(=O)Nc2cccc(C(=O)N3CCCC3)c2)c1
214183915	ZINC000053450151	ref	7.72	-52.79	1	330.432	1.826	2	4	7	C[C@H](C(=O)NCCCC[NH+]1CCOCC1)n1cnc2ccccc21
214183918	ZINC000053450151	mid	5.31	-16.65	0	330.432	1.826	1	5	7	C[C@H](C(=O)NCCCCN1CCOCC1)n1cnc2ccccc21
342594954	ZINC000590771649	ref	4.13	-10.83	0	262.334	1.841	1	4	2	CS[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C1
187168903	ZINC000125088356	mid	5.66	-8.61	0	289.404	2.463	0	4	2	CN1CCC[C@H](N(C)C(=O)c2nc3ccccc3s2)C1
187168904	ZINC000125079965	ref	0.88	-10.07	0	262.338	2.119	2	5	4	Cc1cnc([C@@H](C)Nc2ccnc(C(N)=O)c2)s1
365632913	ZINC000641596300	ref	4.38	-10.33	0	295.408	1.661	1	3	8	CCN(CC1CC1)S(=O)(=O)NC/C=C\c1cccnc1
342594955	ZINC000590771649	mid	4.88	-43.65	-1	262.334	1.841	0	4	2	CS[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C1
187168905	ZINC000125089970	ref	3.47	-15.27	0	290.363	1.178	2	3	4	C[C@@H](CO)NC(=O)[C@]1(C)CCCN1C(=O)c1ccccc1
187168906	ZINC000125084561	ref	6.23	-12.78	0	299.802	2.387	1	3	4	C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)[C@@H]1CCCO1
187168907	ZINC000125086912	ref	1.59	-56.08	1	258.318	0.856	1	2	2	Cc1cc(F)cc(S(=O)(=O)N2CC[C@H]([NH3+])C2)c1
187168908	ZINC000125084300	ref	4.5	-63.77	1	291.775	2.003	1	2	4	O=S1(=O)CC[C@H](C[NH2+]Cc2cccc(Cl)c2F)C1
187168909	ZINC000125084300	high	3.14	-15.57	0	291.775	2.003	1	3	4	O=S1(=O)CC[C@H](CNCc2cccc(Cl)c2F)C1
187168910	ZINC000125080266	ref	6.42	-13.09	0	294.445	3.097	1	4	6	CC[C@H](SC)C(=O)NCCc1nc2ccccc2s1
187168911	ZINC000125082335	ref	4.82	-9.67	0	292.408	2.488	1	5	6	CCc1c(C(=O)NCc2cscn2)cnn1CC(C)C
187168912	ZINC000125079986	ref	1.39	-15.12	0	282.344	-0.027	2	3	2	C[C@H](NC(=O)N1CCN2C(=O)NC[C@@H]2C1)[C@H]1CCCO1
282122153	ZINC000248969027	ref	3.87	-47.29	1	311.447	1.908	2	3	6	Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1
342594956	ZINC000364812232	ref	3.59	-18.93	0	266.341	1.69	1	3	3	C=C(C)C[C@@H](C)C(=O)N1CCC[C@@]2(CNC(=O)O2)C1
187168914	ZINC000125086184	ref	5.25	-13.65	0	273.336	2.437	1	4	2	Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCCc2occc21
187168915	ZINC000125088866	ref	7.55	-8.87	0	267.423	3.472	1	5	4	CSC[C@@H](C)Nc1nc(C)nc2scc(C)c12
187168916	ZINC000125084947	ref	2.31	-10.46	0	255.387	2.017	2	4	4	Cc1nc([C@@H](C)NCC(=O)NC(C)(C)C)cs1
187168917	ZINC000125084947	low	3.51	-38.34	1	255.387	2.017	2	3	4	Cc1nc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cs1
187168918	ZINC000125083993	ref	5.59	-41.73	1	292.404	3.27	1	4	7	COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cncs2)c1
342594957	ZINC000616962577	ref	4.19	-17.77	0	260.337	1.431	2	2	4	CC(C)[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
187168919	ZINC000125083993	high	4.42	-7.56	0	292.404	3.27	1	5	7	COc1cccc(O[C@H](C)CN[C@@H](C)c2cncs2)c1
342594958	ZINC000590772689	ref	6.81	-13.99	0	269.341	1.356	0	4	6	COC(=O)CC(C)(C)CC(=O)N(C1CC1)C1COC1
290622374	ZINC000492521715	ref	6.79	-11.12	0	260.337	2.362	0	3	6	CCN(CC1CC1)C(=O)/C=C\c1cncc(OC)c1
230726171	ZINC000414289578	ref	7.41	-20.94	0	315.438	3.376	1	2	6	CC(C)NC(=O)CC[S@@](=O)c1ccc(-c2ccccc2)cc1
178300497	ZINC000031943794	ref	9.38	-8.08	0	236.318	4.155	1	1	1	Cc1cc2nc(-c3ccccc3C)[nH]c2cc1C
178300499	ZINC000012803918	ref	4.52	-6.21	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@H](C)C[C@@H](C(F)(F)F)N2
365632915	ZINC000641600542	ref	2.64	-15.15	0	284.323	1.516	1	7	4	Cc1nc(C)c(CNc2ccc(-c3ccnn3C)nn2)o1
230726175	ZINC000414286770	ref	9.14	-46.49	1	311.466	3.29	1	3	4	C[C@@H]1O[C@H](C)C[C@H]1C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1
230726177	ZINC000414285663	ref	7.15	-36.42	1	320.477	3.351	3	2	9	CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](CC)[C@H](O)C(C)C
365632917	ZINC000641596326	ref	2.66	-16.48	0	258.318	1.374	1	3	7	O=S(=O)(CCCF)NC/C=C/c1cccnc1
365632919	ZINC000641596540	ref	3.72	-11.21	0	295.408	1.661	1	3	5	C[C@@H]1CCCN(S(=O)(=O)NC/C=C/c2cccnc2)C1
365632923	ZINC000641600142	ref	3.84	-13.63	0	260.337	1.738	2	4	2	O=C1CCc2ccc(N[C@@H]3CCCCC[C@H]3O)nc21
365632927	ZINC000641596325	ref	2.42	-13.9	0	258.318	1.374	1	3	7	O=S(=O)(CCCF)NC/C=C\c1cccnc1
349534476	ZINC000602429769	mid	4.81	-6.11	0	238.287	1.836	0	5	3	COC(=O)c1cc(CN2CCCC[C@@H]2C)on1
365632931	ZINC000641596601	ref	2.31	-14.11	0	296.392	1.441	1	4	7	O=S(=O)(CC[C@@H]1CCOC1)NC/C=C\c1cccnc1
365632936	ZINC000641596567	ref	4.13	-11.69	0	295.408	1.804	1	3	5	C[C@H]1CCCCN1S(=O)(=O)NC/C=C/c1cccnc1
365632941	ZINC000641596526	ref	2.36	-11.82	0	296.392	1.582	1	4	5	CC1(C)C[C@@H](S(=O)(=O)NC/C=C\c2cccnc2)CO1
365632946	ZINC000641600096	ref	6.65	-12.39	0	289.408	1.854	1	6	4	Cn1nccc1-c1ccc(NC[C@H]2CCCSC2)nn1
365632951	ZINC000641596543	ref	3.48	-9.86	0	295.408	1.661	1	3	5	C[C@@H]1CCCN(S(=O)(=O)NC/C=C\c2cccnc2)C1
365632956	ZINC000641596587	ref	1.35	-13.56	0	270.354	1.051	1	4	8	COCCCS(=O)(=O)NC/C=C\c1cccnc1
178300510	ZINC000000204973	ref	7.0	-8.24	0	238.294	2.595	1	4	1	Cc1cc2nc(C)c(-c3ccccc3)c(N)n2n1
365632962	ZINC000641601946	ref	1.72	-8.76	0	256.256	1.057	1	4	2	C[C@@H]1CN(c2nccnc2C(N)=O)CCC1(F)F
349534478	ZINC000602429601	ref	7.52	-42.27	1	224.304	1.652	1	3	4	COC(=O)c1ccc(C[N@H+](C)C(C)C)n1C
365632971	ZINC000641596276	ref	3.06	-12.0	0	252.339	1.424	1	3	6	O=S(=O)(CC1CC1)NC/C=C\c1cccnc1
187168920	ZINC000125085391	ref	0.54	-8.17	0	286.763	1.373	3	6	6	CNc1c(Cl)ncnc1NC[C@@]1(CCO)CCOC1
187168921	ZINC000125084519	ref	6.52	-10.62	0	287.363	3.136	2	3	6	CCCOc1ccc(NC(=O)NCc2ccn(C)c2)cc1
187168922	ZINC000125081489	ref	6.02	-10.98	0	254.673	1.627	1	4	3	COC(=O)C1(C(=O)Nc2ccc(Cl)cn2)CC1
365632921	ZINC000354703373	ref	4.28	-10.42	0	289.326	1.92	1	4	7	COCC[C@H](C)NC(=O)c1c(C)nn(CC(F)F)c1C
187168923	ZINC000125084024	ref	8.65	-40.85	1	292.335	2.693	1	4	4	CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1
187168924	ZINC000125084024	mid	8.72	-41.91	1	292.335	2.693	1	4	4	CC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1
342078042	ZINC000625288669	ref	7.3	-95.28	2	282.428	1.742	1	3	4	C[N@@H+]1CCCC12CCN(CCOC1CCOCC1)CC2
342078043	ZINC000625288669	mid	7.3	-95.31	2	282.428	1.742	1	3	4	C[N@H+]1CCCC12CCN(CCOC1CCOCC1)CC2
187168925	ZINC000125084024	mid	6.2	-6.89	0	292.335	2.693	0	5	4	CC[C@@H]1CCN(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1
187168926	ZINC000125089687	ref	6.33	-9.08	0	296.392	2.482	1	5	7	CCOC(=O)CC[C@@H](C)NC(=O)c1csc(C2CC2)n1
398248291	ZINC000650869785	ref	4.31	-13.94	0	267.373	1.2	2	2	5	CCN1C[C@H](CNC(=O)NC[C@@H]2CC2(C)C)CC1=O
342078044	ZINC000625288669	mid	7.3	-95.28	2	282.428	1.742	2	2	4	C[N@@H+]1CCCC12CC[NH+](CCOC1CCOCC1)CC2
342078045	ZINC000625288669	mid	7.3	-95.31	2	282.428	1.742	2	2	4	C[N@H+]1CCCC12CC[NH+](CCOC1CCOCC1)CC2
342078046	ZINC000625288746	ref	4.73	-16.96	0	276.38	1.862	1	2	2	C=C1CCN(C(=O)[C@@]2(C3CCCC3)CCNC2=O)CC1
187168928	ZINC000125090468	ref	1.59	-16.56	0	298.368	1.032	2	5	4	CNC(=O)[C@H]1CCCN1C(=O)Nc1nc(COC)cs1
365632928	ZINC000354703165	ref	3.4	-11.36	0	280.372	1.39	2	5	5	Cc1nn(C)c(N)c1C(=O)NCCC[C@@H]1CCCCO1
187168929	ZINC000125088993	ref	4.68	-17.4	0	285.735	1.06	1	6	5	CNc1c(Cl)ncnc1N(C)CCN1CCOC1=O
187168930	ZINC000125090086	ref	8.72	-14.14	0	287.359	2.344	0	3	3	C[C@H]1[C@@H](c2ccccc2)CCN1C(=O)C[C@H]1COC(=O)C1
187168931	ZINC000125088055	ref	5.17	-9.95	0	278.381	2.138	1	5	4	Cc1nsc(NCCC(=O)N2CCCCC2)c1C#N
187168932	ZINC000125087730	ref	6.2	-10.43	0	287.363	2.894	2	3	5	Cc1ccc([C@H](C)CNC(=O)NCc2cc(C)no2)cc1
187168933	ZINC000125087290	ref	5.14	-7.66	0	264.291	2.048	0	2	4	C=CCCC(=O)N1CCN(CC(F)(F)F)[C@H](C)C1
349534479	ZINC000621233691	ref	6.58	-8.34	0	283.412	2.465	0	3	6	CO[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](OCCC(C)C)C2)C1
214183882	ZINC000337622355	ref	2.95	-14.14	0	297.359	0.37	3	6	7	CCOC[C@@H](O)CNC(=O)Nc1nc(C)cc(N(C)C)n1
365632924	ZINC000336550311	ref	7.24	-14.52	0	291.322	2.036	0	3	2	O=C1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(F)c1
214183885	ZINC000337623381	ref	3.92	-13.45	0	282.34	0.951	1	5	9	CCCOc1cccnc1C(=O)N(C)CCOCCO
365632933	ZINC000336550567	ref	2.68	-2.78	0	257.79	2.077	0	4	3	Clc1cnc(CN2CCN(C3CC3)CC2)s1
342594959	ZINC000364812236	ref	3.66	-19.32	0	266.341	1.69	1	3	3	C=C(C)C[C@H](C)C(=O)N1CCC[C@@]2(CNC(=O)O2)C1
295666219	ZINC000336075517	ref	3.49	-8.27	0	273.398	1.272	1	4	2	CS[C@H]1CCCCN(C(=O)C2(O)CCOCC2)C1
398248292	ZINC000069831476	low	7.52	-27.62	1	240.306	3.259	1	2	6	C=CCOc1ccccc1CNc1cccc[nH+]1
342594960	ZINC000590771841	ref	5.13	-7.65	0	268.382	1.009	1	3	4	CS[C@@H]1CCN(C(=O)C2(C(=O)NC3CC3)CC2)C1
342594961	ZINC000590771848	ref	7.1	-10.39	0	265.382	1.409	0	4	2	CS[C@H]1CCN(C(=O)[C@H]2CCc3nccn3C2)C1
299072160	ZINC000358088144	mid	6.48	-43.49	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1C
342594962	ZINC000590771848	low	7.57	-33.98	1	265.382	1.409	0	3	2	CS[C@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1
214183892	ZINC000337620632	ref	2.26	-17.03	0	282.303	0.958	3	3	5	N#Cc1ccc(C(=O)NCCc2cccc(C(N)=O)c2)[nH]1
342594963	ZINC000590771609	ref	7.15	-10.02	0	279.409	1.876	0	4	2	CS[C@@H]1CCN(C(=O)c2c3c(nn2C)CCCC3)C1
342594964	ZINC000590772228	ref	4.48	-25.0	0	251.351	1.952	1	2	4	C[C@H](NC(=O)c1cccc([S@@](C)=O)c1)C1CC1
398248294	ZINC000390781352	ref	2.6	-95.29	2	211.309	-0.053	2	1	1	C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C
214183901	ZINC000337621165	ref	2.88	-9.69	0	295.751	2.165	2	4	4	O=C(CNC(=O)c1ccc(Cl)s1)Nc1cccnc1
214183907	ZINC000337622923	ref	4.43	-13.85	0	295.343	0.388	2	6	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2COCCO2)n1
214183910	ZINC000337620716	ref	7.16	-7.73	0	273.38	2.34	1	3	5	CC[C@@H]1CCCN1C(=O)c1ccc(NCC2CC2)nc1
214183916	ZINC000337620516	ref	2.55	-20.63	0	270.358	0.04	2	4	5	CCSCCCNC(=O)C(=O)N=c1ccn(C)[nH]1
214183922	ZINC000337623984	ref	5.25	-11.23	0	295.383	0.819	1	3	7	O=C(NCCCOCC1CC1)N1CCN(C2CC2)C(=O)C1
214183927	ZINC000337620675	ref	5.36	-14.02	0	268.276	2.421	1	5	3	Cc1ccc(C(=O)Nc2cnccc2-n2cccn2)o1
214183930	ZINC000337620675	mid	5.8	-38.43	1	268.276	2.421	1	4	3	Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cccn2)o1
214183934	ZINC000337623873	ref	2.25	-17.07	0	288.369	-0.006	1	6	7	Cc1sc(=O)n(CC(=O)N(C)CCOCCO)c1C
295666220	ZINC000412988073	high	4.37	-49.21	-1	324.34	2.997	0	6	5	Cc1nc(-c2ccc(OCc3cc(=O)[n-]c(C4CC4)n3)cc2)no1
295666223	ZINC000412988260	ref	9.33	-6.87	0	300.358	2.537	0	3	3	Cc1ccc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)c(C)c1
365632926	ZINC000122929567	mid	8.21	-30.4	1	290.407	2.321	1	2	5	COCC[N@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C
365632929	ZINC000122929567	mid	7.86	-32.94	1	290.407	2.321	1	2	5	COCC[N@@H+](C)[C@@H](C)C(=O)N1c2ccccc2CC[C@@H]1C
365632932	ZINC000122804750	ref	4.55	-41.66	1	297.443	2.116	2	3	3	CN1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1
365632938	ZINC000122804750	mid	6.93	-109.66	2	297.443	2.116	3	2	3	C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1
365632943	ZINC000122889835	ref	6.47	-8.05	0	280.343	2.424	0	3	3	CO[C@@H](C)CC(=O)N1CCCN(C)c2ccc(F)cc21
365632947	ZINC000122815457	ref	3.07	-4.24	0	268.788	2.233	1	3	4	C[C@@H](O)CCN1CCN(c2ccccc2Cl)CC1
365632958	ZINC000122815457	mid	5.46	-35.77	1	268.788	2.233	2	2	4	C[C@@H](O)CC[NH+]1CCN(c2ccccc2Cl)CC1
365632963	ZINC000122889869	ref	6.93	-7.45	0	269.41	2.202	1	3	3	CS[C@H](C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2
365632967	ZINC000122943519	ref	5.98	-9.58	0	257.341	2.077	0	5	3	CCc1nccn1[C@H]1CCCN(c2cnccn2)C1
192339502	ZINC000081925618	ref	8.45	-11.68	0	315.385	3.185	0	3	4	CC1(C)CN(C(=O)Cc2ccccc2OC(F)F)CCS1
178300505	ZINC000237156572	ref	8.57	-53.03	-1	358.316	1.597	0	4	5	CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
178300509	ZINC000237175177	ref	4.65	-63.71	1	351.428	1.341	2	4	7	COC(=O)c1cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1
192339506	ZINC000081926667	ref	7.12	-27.65	0	320.418	1.228	1	5	2	Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1CCSC(C)(C)C1
365632975	ZINC000122943519	mid	6.45	-30.21	1	257.341	2.077	0	4	3	CCc1[nH+]ccn1[C@H]1CCCN(c2cnccn2)C1
192339509	ZINC000081925469	ref	5.98	-14.76	0	308.403	2.833	1	4	2	COC(=O)Nc1cccc(C(=O)N2CCSC(C)(C)C2)c1
178300514	ZINC000237175177	mid	3.28	-14.64	0	351.428	1.341	2	5	7	COC(=O)c1cc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1
178300517	ZINC000237174428	ref	4.41	-48.14	1	350.438	1.152	2	3	6	C[NH2+]C[C@@H](C)C(=O)N1CCN([C@H](C)C(=O)Nc2cccc(F)c2)CC1
178300521	ZINC000237169263	ref	4.34	-49.05	1	353.488	1.121	2	3	7	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CC2CC[NH2+]CC2)cc1
365632979	ZINC000122909686	ref	9.77	-39.9	1	294.402	2.287	1	3	3	N#Cc1cccnc1N1CC[NH+](C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1
365632934	ZINC000354702982	ref	4.3	-15.5	0	257.399	1.84	1	2	4	CC(C)CC1(C(=O)N[C@H]2CC[S@@](=O)C2)CCC1
214183886	ZINC000293564901	ref	-0.09	-15.16	0	354.428	0.696	3	5	4	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1
214183889	ZINC000293562775	ref	7.47	-26.71	0	373.413	0.529	1	7	6	Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)CCn1ncn(C)c1=O
365632940	ZINC000354703168	ref	2.9	-17.6	0	296.367	1.965	1	5	8	Cc1cnc(COCC(=O)NCCC[C@@H]2CCCCO2)o1
349534480	ZINC000621492769	ref	7.37	-9.6	0	294.37	3.022	1	2	5	COc1ccc(F)c(CNC(=O)N(C)C[C@@H]2CC2(C)C)c1
349534484	ZINC000621490523	ref	7.98	-12.51	0	298.386	3.41	2	2	5	Cc1ccc(NC(=O)N(Cc2ccccc2)C[C@@H](C)O)cc1
197591740	ZINC000162787015	ref	5.06	-10.91	0	317.433	2.848	0	4	5	C/C=C(\C=C\C(=O)N1CCN(Cc2nc(C)c(C)o2)CC1)CC
214183893	ZINC000293555715	ref	4.88	-47.02	1	374.489	0.325	3	5	9	C[C@H]1NC(C(=O)NCCC[N@H+](C)CCN(C)C)=NN(c2ccccc2)C1=O
214183896	ZINC000293555715	mid	4.89	-47.1	1	374.489	0.325	3	5	9	C[C@H]1NC(C(=O)NCCC[N@@H+](C)CCN(C)C)=NN(c2ccccc2)C1=O
214183900	ZINC000293555715	mid	5.03	-42.36	1	374.489	0.325	3	5	9	C[C@H]1NC(C(=O)NCCCN(C)CC[NH+](C)C)=NN(c2ccccc2)C1=O
342078047	ZINC000625287590	ref	6.17	-7.3	0	288.351	1.105	0	5	2	C=C1CCN(C(=O)c2ccnc(N3CCOCC3)n2)CC1
214183908	ZINC000293567152	ref	2.27	-9.5	0	362.171	0.281	2	4	5	Cn1ncc(C(=O)NCC(=O)NCC2CC2)c1I
342078048	ZINC000625288538	ref	7.06	-52.51	1	286.416	1.228	1	3	10	CC[NH+](CC)CCN(CCOC)C(=O)C1CC(OC)C1
342078049	ZINC000625288447	ref	0.48	-14.54	0	276.358	1.539	1	5	7	CCC(C)(C)CS(=O)(=O)NCc1cc(OC)no1
342078050	ZINC000625288447	high	0.09	-38.27	-1	276.358	1.539	0	5	7	CCC(C)(C)CS(=O)(=O)[N-]Cc1cc(OC)no1
342078051	ZINC000625289322	ref	3.81	-13.63	0	273.402	1.837	1	4	6	CCC(C)(C)CS(=O)(=O)N[C@@H](C)c1nccn1C
342078052	ZINC000625289322	low	4.4	-39.67	1	273.402	1.837	1	3	6	CCC(C)(C)CS(=O)(=O)N[C@@H](C)c1[nH+]ccn1C
342078053	ZINC000625288916	ref	4.88	-12.73	0	289.376	1.489	0	4	4	Cc1ncc(S(=O)(=O)N2CCC[C@@H](CCF)C2)n1C
342078054	ZINC000625288777	ref	3.83	-10.67	0	278.337	1.684	1	6	3	CCc1csc(NC(=O)c2cn3c(n2)COCC3)n1
342078055	ZINC000625289324	ref	3.71	-13.88	0	273.402	1.837	1	4	6	CCC(C)(C)CS(=O)(=O)N[C@H](C)c1nccn1C
342078056	ZINC000625289324	low	4.27	-37.2	1	273.402	1.837	1	3	6	CCC(C)(C)CS(=O)(=O)N[C@H](C)c1[nH+]ccn1C
187168934	ZINC000125089747	ref	7.54	-8.14	0	286.47	2.803	2	6	8	CSC[C@@H](C)Nc1cc(N[C@H](C)CSC)ncn1
187168935	ZINC000125089747	low	8.01	-28.14	1	286.47	2.803	2	5	8	CSC[C@@H](C)Nc1cc(N[C@H](C)CSC)[nH+]cn1
136229116	ZINC000292837302	mid	5.56	-38.8	1	245.326	1.291	3	1	5	C#CCNC(=O)CC[N@H+]1CCC[C@@H]1c1ccc[nH]1
187334646	ZINC000127817965	ref	6.35	-8.06	0	292.379	2.433	1	3	6	CC(C)[C@H](C)N(C(=O)[C@@H](C)NC(=O)c1ccco1)C1CC1
187168937	ZINC000125082601	ref	0.39	-47.31	1	285.388	0.165	3	3	9	CCOCCC1(CNC(=O)CNC(=O)C[NH3+])CCCC1
342078057	ZINC000625288198	ref	1.75	-46.99	1	293.363	1.732	3	4	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078058	ZINC000625288198	high	0.58	-7.84	0	293.363	1.732	3	5	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078059	ZINC000625288865	ref	3.15	-8.15	0	261.387	1.662	1	3	5	CC[C@H](NS(=O)(=O)[C@H]1COC(C)(C)C1)C1CC1
187168938	ZINC000125082601	mid	-0.02	-9.45	0	285.388	0.165	3	4	9	CCOCCC1(CNC(=O)CNC(=O)CN)CCCC1
342078060	ZINC000625288066	ref	2.58	-10.5	0	277.43	1.751	2	3	9	CCC(C)(C)CS(=O)(=O)NC[C@@H](CO)CC1CC1
187168939	ZINC000125089040	ref	7.95	-34.55	1	258.381	2.363	2	1	7	CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCF)C1
342078061	ZINC000608846542	ref	4.92	-12.07	0	279.296	1.756	2	4	4	CC(=O)NC(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1C
187168940	ZINC000125089040	mid	7.74	-39.89	1	258.381	2.363	2	1	7	CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCF)C1
342078062	ZINC000625287092	ref	4.39	-34.43	1	264.373	1.862	1	4	3	C[C@@H]1[C@@H](C)[N@H+](C)CCN1Cc1noc(C2CCC2)n1
178300527	ZINC000082795275	ref	4.69	-8.15	0	271.162	2.098	1	4	4	CN[C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1
187168941	ZINC000125085801	ref	3.96	-15.14	0	261.281	2.326	2	5	5	CC[C@@H](O)CNc1ccnc2c([N+](=O)[O-])cccc12
187168942	ZINC000125081128	ref	5.31	-13.36	0	278.352	2.303	1	4	5	Cc1ccc(NC(=O)[C@@H](C)OC[C@H]2CCCCO2)cn1
187168943	ZINC000125087236	ref	5.77	-10.17	0	293.392	2.783	2	4	5	Cc1cc(CNC(=O)N[C@@H](C)Cc2ccc(C)s2)on1
295666221	ZINC000376629105	ref	4.74	-18.29	0	328.478	2.177	1	3	2	O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CCC2(CCCCC2)C1
295666228	ZINC000342876083	ref	6.88	-9.2	0	342.439	2.426	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)N1CCC12CCC2
178300530	ZINC000082795275	low	4.93	-52.53	1	271.162	2.098	1	3	4	C[NH2+][C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1
342078063	ZINC000625287092	mid	3.97	-35.1	1	264.373	1.862	1	4	3	C[C@@H]1[C@@H](C)[N@@H+](C)CCN1Cc1noc(C2CCC2)n1
136229117	ZINC000292837302	high	3.14	-8.94	0	245.326	1.291	2	2	5	C#CCNC(=O)CCN1CCC[C@@H]1c1ccc[nH]1
214183890	ZINC000278483110	ref	3.26	-11.53	0	321.421	2.627	2	4	7	CCCOc1ncccc1CNC(=O)N[C@@H]1CCCC[C@H]1OC
365632937	ZINC000336550567	mid	5.07	-31.95	1	257.79	2.077	1	3	3	Clc1cnc(CN2CC[NH+](C3CC3)CC2)s1
214183894	ZINC000278484183	ref	2.15	-8.79	0	310.341	2.89	2	4	5	CCC[C@](C)(O)C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1
365632942	ZINC000336550360	ref	5.73	-8.03	0	263.341	2.421	1	3	1	Cc1ccc(NC(=O)N2CCOC(C)(C)[C@H]2C)nc1
214183898	ZINC000278483047	ref	5.0	-22.99	0	306.362	1.453	2	4	9	CCOC(=O)C[C@H](NC(=O)CCCC(N)=O)c1ccccc1
365632949	ZINC000336550672	ref	7.02	-20.67	0	260.341	2.116	0	4	3	CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@H](C)C#N
365632952	ZINC000336550672	low	7.35	-32.76	1	260.341	2.116	0	3	3	CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@H](C)C#N
365632955	ZINC000336550672	high	7.02	-20.67	0	260.341	2.116	0	4	3	CCn1ccnc1[C@@H]1CCCCN1C(=O)C(C)C#N
365632957	ZINC000336550124	ref	6.19	-7.5	0	299.436	2.07	0	4	3	O=C(CC[C@H]1CCCO1)N1CCSC2(CCOCC2)C1
178300515	ZINC000225332022	ref	4.5	-9.39	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@H](C)C[C@H](C(F)F)N2
214183902	ZINC000278484288	ref	6.52	-45.66	1	307.369	1.11	2	2	5	CCC[NH+]1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1
214183905	ZINC000278484288	mid	4.15	-7.87	0	307.369	1.11	1	3	5	CCCN1CCN(C(=O)CNC(=O)c2ccc(F)cc2)CC1
214183909	ZINC000278484498	ref	7.41	-10.81	0	303.402	3.186	1	3	5	CC(C)=CCOc1cccc(C(=O)N[C@H]2CCOC[C@H]2C)c1
214183913	ZINC000278484459	ref	7.48	-46.91	1	303.406	2.404	2	2	2	C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1
214183914	ZINC000278484459	mid	7.3	-46.73	1	303.406	2.404	2	2	2	C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1
214183919	ZINC000278484459	high	5.15	-8.74	0	303.406	2.404	1	3	2	C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccccc1
214183923	ZINC000278483318	ref	5.25	-11.21	0	308.179	3.346	0	4	4	CN(Cc1cccc(Br)c1)c1nnc(C2CC2)o1
214183928	ZINC000278484399	ref	5.72	-19.05	0	320.389	2.098	2	4	6	CCNC(=O)COc1ccc(NC(=O)[C@@H]2CCC(C)(C)O2)cc1
214183932	ZINC000278484541	ref	9.04	-18.95	0	310.401	3.054	1	3	5	C[C@@H](CC(=O)N(C)Cc1nccn1C)c1c[nH]c2ccccc12
214183935	ZINC000278484541	low	9.47	-34.94	1	310.401	3.054	1	2	5	C[C@@H](CC(=O)N(C)Cc1[nH+]ccn1C)c1c[nH]c2ccccc12
214183937	ZINC000278483407	ref	6.91	-12.85	0	310.346	2.404	0	6	7	COC(=O)c1ccc(OCCO[C@@H]2CCCCO2)c(OC)c1
187168946	ZINC000125086415	ref	5.25	-13.16	0	273.336	2.437	1	4	2	Cc1nn(C)c(C)c1C(=O)N[C@H]1CCCc2occc21
187168947	ZINC000125086242	ref	8.43	-8.32	0	261.346	2.426	0	3	5	O=C1c2ccccc2C(=O)N1CCSCC1CC1
295666222	ZINC000263580864	ref	10.57	-52.86	-1	321.442	3.062	0	4	5	CS[C@H]1CCCCN(C(=O)CCc2ccccc2C(=O)[O-])C1
178300519	ZINC000000615755	ref	5.37	-9.37	0	204.277	1.917	1	4	0	Cc1cc2nc(C(C)(C)C)cc(N)n2n1
187168949	ZINC000125084315	ref	5.64	-16.38	0	298.745	2.138	1	2	2	CNC(=O)[C@@H]1CCCN1C(=O)c1cc(C)c(F)cc1Cl
178300523	ZINC000360414633	ref	1.17	-11.89	0	242.242	1.242	3	4	2	Cc1cc2n[nH]cc2cc1NC(=O)c1cn[nH]n1
187168950	ZINC000125085175	ref	2.32	-10.32	0	255.387	2.017	2	4	4	Cc1nc([C@H](C)NCC(=O)NC(C)(C)C)cs1
178300528	ZINC000360414633	low	1.08	-9.81	0	242.242	1.242	3	4	2	Cc1cc2[nH]ncc2cc1NC(=O)c1cn[nH]n1
187168951	ZINC000125085175	low	3.51	-38.34	1	255.387	2.017	2	3	4	Cc1nc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cs1
187168952	ZINC000125081325	ref	1.59	-11.1	0	265.718	1.479	0	5	5	COC[C@H](C)S(=O)(=O)Oc1ccc(Cl)nc1
178300531	ZINC000360414633	high	1.07	-39.65	-1	242.242	1.242	2	4	2	Cc1cc2n[nH]cc2cc1NC(=O)c1cnn[n-]1
187168953	ZINC000125083189	ref	4.12	-8.97	0	292.379	2.37	2	3	5	COc1cc(C)ccc1CNC(=O)N[C@H](C)[C@@H]1CCCO1
187168954	ZINC000125083741	ref	5.56	-43.38	1	292.404	3.27	1	4	7	COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cncs2)c1
178300534	ZINC000360414633	high	0.99	-39.55	-1	242.242	1.242	2	4	2	Cc1cc2n[nH]cc2cc1NC(=O)c1c[n-]nn1
178300536	ZINC000360414633	high	1.15	-39.89	-1	242.242	1.242	2	4	2	Cc1cc2n[nH]cc2cc1NC(=O)c1cn[n-]n1
187168955	ZINC000125083741	high	4.43	-7.05	0	292.404	3.27	1	5	7	COc1cccc(O[C@@H](C)CN[C@@H](C)c2cncs2)c1
398248295	ZINC000650870300	ref	2.77	-10.7	0	298.358	1.646	3	3	8	COc1cccc(C[C@H](C)NC(=O)N[C@@H](CO)CCF)c1
398248301	ZINC000650869991	ref	1.49	-10.51	0	270.373	1.263	3	3	5	CC1(C)C[C@H]1CNC(=O)NCC[C@]1(O)CCCOC1
178300550	ZINC000338238930	ref	7.31	-8.05	0	241.294	3.452	1	3	1	Cc1cc2nc(-c3c(C)noc3C)[nH]c2cc1C
187168956	ZINC000125087978	ref	9.79	-33.35	1	274.408	2.765	1	1	5	CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1
178300555	ZINC000000097664	ref	8.28	-8.95	0	222.291	3.847	1	1	1	Cc1cc2nc(-c3ccccc3)[nH]c2cc1C
187168957	ZINC000125087978	mid	9.72	-33.25	1	274.408	2.765	1	1	5	CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1
187168958	ZINC000125087978	high	7.38	-8.39	0	274.408	2.765	0	2	5	CC[C@@H]1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)C1
214183912	ZINC000293564000	ref	-0.34	-62.05	1	357.476	0.859	3	4	10	COCCNS(=O)(=O)c1cccc(C(=O)NC(C)(C)CCC[NH3+])c1
343994946	ZINC000625565434	mid	9.16	-33.45	1	225.376	2.779	1	1	7	CCO[C@H](C[N@@H+](C)C[C@H]1CC1(C)C)C1CC1
214183917	ZINC000293565131	ref	3.87	-51.15	1	354.426	0.747	3	4	8	CC[C@@H](C)[C@@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCCN1CCOCC1
349534481	ZINC000602429601	mid	7.47	-42.88	1	224.304	1.652	1	3	4	COC(=O)c1ccc(C[N@@H+](C)C(C)C)n1C
214183920	ZINC000293565131	low	3.87	-51.15	1	354.426	0.747	4	3	8	CC[C@@H](C)[C@@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCC[NH+]1CCOCC1
214183924	ZINC000293558790	ref	6.38	-18.33	0	370.453	0.857	1	5	6	Cc1c(CC(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)cnn1C
214183926	ZINC000293557198	ref	10.06	-21.25	0	361.354	0.772	0	9	7	COC(=O)/C=C/c1ccc(OC)c(OC(=O)CCn2ncn(C)c2=O)c1
190493377	ZINC000269424915	ref	2.91	-10.73	0	268.332	2.807	3	2	5	CC[C@](C)(CCO)NC(=O)Nc1cc(C)cc(F)c1
214183933	ZINC000293561320	ref	5.38	-12.15	0	371.393	0.878	1	5	5	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O
178305788	ZINC000069076956	low	8.28	-104.22	2	229.327	2.39	1	1	3	Cc1cc2[nH+]cn(C[C@H]([NH3+])C3CC3)c2cc1C
214183938	ZINC000293566421	ref	1.05	-15.51	0	359.386	0.988	1	7	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1
214183943	ZINC000293560912	ref	3.24	-11.18	0	374.397	0.612	3	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](O)c1cc(C)cc(C)c1
342078064	ZINC000625287092	mid	1.76	-5.54	0	264.373	1.862	0	5	3	C[C@@H]1[C@@H](C)N(Cc2noc(C3CCC3)n2)CCN1C
197591735	ZINC000290088398	ref	9.61	-16.64	0	288.351	2.478	0	6	5	COc1cc(OC)cc(N(C)c2nnc(C3CC3)n2C)c1
214183952	ZINC000293566698	ref	2.79	-14.29	0	366.447	0.867	1	7	6	CCn1nncc1C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C
214190413	ZINC000337634323	ref	6.6	-7.76	0	284.444	3.317	2	2	10	CCOCCC1(CNC(=O)N[C@H](C)C[C@@H](C)CC)CC1
342078065	ZINC000625289178	ref	2.73	-9.54	0	259.371	1.584	1	3	4	CC1(C)C[C@@H](S(=O)(=O)NCC2=CCCC2)CO1
342078066	ZINC000625288446	ref	1.99	-8.37	0	276.38	1.712	3	3	7	O[C@H](C[N@H+](Cc1ccccn1)C1CC1)CC1(O)CCC1
342078067	ZINC000625288446	mid	4.08	-34.61	1	276.38	1.712	3	3	7	O[C@H](C[N@@H+](Cc1ccccn1)C1CC1)CC1(O)CCC1
342078068	ZINC000625288446	mid	1.99	-8.37	0	276.38	1.712	2	4	7	O[C@H](CN(Cc1ccccn1)C1CC1)CC1(O)CCC1
342078069	ZINC000625288449	ref	3.02	-7.32	0	276.38	1.712	3	3	7	O[C@@H](C[N@H+](Cc1ccccn1)C1CC1)CC1(O)CCC1
187168959	ZINC000125089498	ref	0.42	-49.8	1	297.33	0.174	3	3	8	CC[C@H](CNC(=O)CNC(=O)C[NH3+])Oc1ccccc1F
365632945	ZINC000354703705	ref	4.68	-24.89	0	281.352	1.866	1	2	4	O=C(C/C=C\c1ccccc1F)N[C@@H]1CC[S@@](=O)C1
187168960	ZINC000125089498	mid	0.03	-12.8	0	297.33	0.174	3	4	8	CC[C@H](CNC(=O)CNC(=O)CN)Oc1ccccc1F
187168961	ZINC000125090222	ref	7.17	-41.46	1	299.484	2.303	3	2	6	CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCCS2)CC1
187168962	ZINC000125079930	ref	5.58	-12.02	0	299.411	2.896	2	3	7	CC[C@H](SC)C(=O)N[C@H](C)C[C@H](O)c1ccc(F)cc1
187168963	ZINC000125080358	ref	5.56	-7.08	0	277.324	2.265	1	4	5	CC[C@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1
365632948	ZINC000354703390	ref	5.62	-13.9	0	257.359	1.231	0	4	6	CCN(CCC1CC1)S(=O)(=O)c1cn(C)cn1
187168964	ZINC000125080358	mid	8.33	-41.18	1	277.324	2.265	2	3	5	CC[C@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1
187168965	ZINC000125080358	mid	8.32	-41.5	1	277.324	2.265	2	3	5	CC[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1
365632954	ZINC000354703741	ref	3.78	-15.61	0	297.355	1.221	1	4	6	Cn1ccc(CCNS(=O)(=O)Cc2cccc(F)c2)n1
187168966	ZINC000125082923	ref	4.21	-11.6	0	288.322	2.279	1	3	2	Cc1nc2cc(F)ccc2cc1C(=O)N1CCC[C@H]1CO
187168967	ZINC000125082631	ref	5.6	-29.81	0	289.295	-0.077	1	7	7	O=C(Cn1cnnn1)NCCC(=O)OCc1ccccc1
365632959	ZINC000354701979	ref	6.61	-11.55	0	269.385	1.932	0	3	4	C[C@H]1C[C@@H](C)CN(C(=O)COC[C@@H]2CCOC2)[C@H]1C
187168968	ZINC000125082990	ref	4.61	-10.91	0	295.404	2.434	1	4	4	CC[C@H](SC)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1
178300524	ZINC000237168953	ref	5.53	-47.28	1	363.433	1.555	2	3	5	COc1ccc(F)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
398248296	ZINC000361804303	ref	8.4	-37.98	1	247.382	3.243	1	1	5	CO[C@@H](C[NH2+][C@H]1CCc2ccc(C)cc21)C(C)C
187168970	ZINC000125090371	ref	7.62	-14.41	0	287.367	2.02	1	4	5	CN(CCN(C)c1ccccc1)C(=O)Nc1ccnn1C
187168971	ZINC000125091102	ref	-0.01	-9.98	0	285.388	0.433	2	4	5	C[C@H](CNC(=O)N[C@]1(C)CCOC1)CN1CCOCC1
365632964	ZINC000354702796	ref	9.05	-48.95	0	287.367	1.962	2	3	6	CC[C@@H](C(=O)Nc1nnc(C)[n-]1)[N@H+](C)Cc1ccccc1
187168972	ZINC000125091102	mid	2.21	-43.81	1	285.388	0.433	3	3	5	C[C@H](CNC(=O)N[C@]1(C)CCOC1)C[NH+]1CCOCC1
187168973	ZINC000125080277	ref	7.26	-12.26	0	276.384	2.803	1	3	3	CC(C)Cn1cc(NC(=O)N2C[C@@H]3CCC[C@H]3C2)cn1
365632969	ZINC000354702796	mid	9.05	-49.27	0	287.367	1.962	2	3	6	CC[C@@H](C(=O)Nc1nnc(C)[n-]1)[N@@H+](C)Cc1ccccc1
178300526	ZINC000237169942	ref	7.69	-52.17	1	355.442	1.028	1	5	7	COCC[NH2+]CC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
178300529	ZINC000237169942	high	6.34	-15.25	0	355.442	1.028	1	6	7	COCCNCC(=O)N1CCN(c2ccnc(-c3ccccc3)n2)CC1
214183921	ZINC000053464509	ref	7.75	-8.63	0	348.83	3.343	0	4	4	Cc1cc(CN(C)C(=O)C2(c3cccc(Cl)c3)CCOCC2)no1
343994949	ZINC000139458934	ref	4.85	-3.84	0	168.236	2.091	0	2	3	C=CC(=O)C1(OC)CCCCC1
349534482	ZINC000621234599	ref	5.69	-12.59	0	271.401	2.201	1	3	8	CCC[C@H](O)CC(=O)N1CC[C@@H](OCCC(C)C)C1
282123629	ZINC000171334455	ref	6.09	-17.13	0	292.289	1.61	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)ccc1F)CC2
349534486	ZINC000621234355	ref	6.38	-8.36	0	269.385	2.075	0	3	7	CCO[C@H]1C[C@@H]1C(=O)N1CC[C@@H](OCCC(C)C)C1
349534487	ZINC000621233434	ref	7.44	-9.8	0	293.411	2.252	1	3	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)C1
178300532	ZINC000237163553	ref	4.98	-52.57	1	351.472	1.358	1	3	3	C[NH2+]C1CCN(S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCC3)CC1
349534489	ZINC000621233434	mid	7.42	-9.67	0	293.411	2.252	1	3	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@@H](C)Cc2cnc[nH]2)C1
349534491	ZINC000621233434	low	7.93	-40.51	1	293.411	2.252	1	2	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1
349534493	ZINC000621233434	low	7.93	-40.35	1	293.411	2.252	1	2	7	CC(C)CCO[C@@H]1CCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1
349534494	ZINC000621233732	ref	7.85	-11.07	0	283.412	2.465	0	3	7	CO[C@@H](C(=O)N1CC[C@@H](OCCC(C)C)C1)C1CCC1
178305790	ZINC000077271265	ref	3.45	-8.04	0	216.244	2.243	1	4	2	Cc1cc2ncccc2c(N)c1N(C)N=O
214183925	ZINC000053455079	ref	6.59	-21.33	0	334.42	1.875	0	5	4	CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC(c2nc(C)no2)CC1
214183929	ZINC000053452488	ref	6.36	-13.25	0	340.499	3.24	1	7	5	CC[C@@H]1CCc2nc(NC(=O)CSc3nncs3)sc2C1
214183931	ZINC000053447041	ref	6.23	-12.25	0	325.412	2.641	1	3	2	O=C(c1cc(=O)c2ccccc2[nH]1)N1CCN(C2CCCC2)CC1
166172803	ZINC000075562906	ref	7.11	-7.58	0	172.231	2.203	0	2	4	C=CCN(CC#N)c1ccccc1
214183936	ZINC000053447041	mid	8.59	-52.9	1	325.412	2.641	2	2	2	O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[NH+](C2CCCC2)CC1
214183939	ZINC000053447041	high	6.52	-41.99	-1	325.412	2.641	0	3	2	O=C(c1cc(=O)c2ccccc2[n-]1)N1CCN(C2CCCC2)CC1
214190415	ZINC000337633032	ref	8.29	-5.49	0	274.389	3.483	1	3	2	CC1(C)C[C@H]1C(=O)Nc1sc2c(c1C#N)CCCC2
342594965	ZINC000590772432	ref	2.55	-11.16	0	289.364	1.87	1	6	5	CCSc1nccnc1C(=O)N[C@H](C)c1cnccn1
365632960	ZINC000617415209	high	3.52	-16.75	0	263.341	0.449	1	4	4	CN1CCC[C@H](NC(=O)CCn2ccccc2=O)C1
365632965	ZINC000617415710	ref	7.68	-43.26	1	259.313	0.553	2	4	2	C[N@@H+]1CCC[C@@H](NC(=O)c2cn3cccnc3n2)C1
365632970	ZINC000617415710	mid	7.15	-44.78	1	259.313	0.553	2	4	2	C[N@H+]1CCC[C@@H](NC(=O)c2cn3cccnc3n2)C1
365632974	ZINC000617415710	mid	4.8	-15.19	0	259.313	0.553	1	5	2	CN1CCC[C@@H](NC(=O)c2cn3cccnc3n2)C1
365632980	ZINC000617423465	ref	3.83	-17.97	0	290.331	0.455	1	8	2	C[C@H]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)c2ncnn21
365632987	ZINC000617423464	ref	3.84	-17.87	0	290.331	0.455	1	8	2	C[C@@H]1C[C@@H](NC(=O)c2nnn(C(C)(C)C)n2)c2ncnn21
342594966	ZINC000616962504	ref	4.47	-18.25	0	274.364	1.531	2	2	4	CCc1ccc(C(C)(C)C(=O)N[C@H]2CCNC2=O)cc1
342594967	ZINC000590771634	ref	7.22	-13.99	0	273.398	1.93	0	4	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@H](SC)C1
342594968	ZINC000590771635	ref	7.22	-14.0	0	273.398	1.93	0	4	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@@H](SC)C1
365632997	ZINC000617423058	ref	4.55	-16.7	0	287.327	0.881	1	7	5	C=CCCn1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)nn1
365633002	ZINC000617422117	ref	3.81	-9.82	0	296.367	0.88	2	4	6	COC(=O)[C@H](CC1CCCCC1)NC(=O)C1(C(N)=O)CC1
214183940	ZINC000337622422	ref	4.42	-11.83	0	294.351	3.115	2	3	4	CC(C)[C@H](NC(=O)c1csc(=O)[nH]1)c1ccc(F)cc1
342594969	ZINC000616962626	ref	2.52	-20.79	0	290.216	1.463	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(F)cc1C(F)(F)F
187168974	ZINC000125082300	ref	4.58	-46.37	1	275.377	2.264	1	3	5	CCN(Cc1cccs1)C(=O)c1ccnc(C[NH3+])c1
365633015	ZINC000617415802	ref	-0.06	-23.26	0	262.375	0.02	1	4	4	CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCCN(C)C1
342594970	ZINC000590772408	ref	3.98	-10.45	0	288.307	1.093	1	6	4	COC(=O)c1ccc(C(=O)N[C@H](C)c2cnccn2)n1C
342594971	ZINC000590771830	ref	5.91	-9.03	0	253.371	1.789	0	4	3	CCn1nc(C)cc1C(=O)N1CC[C@H](SC)C1
365633021	ZINC000617415802	low	2.3	-57.36	1	262.375	0.02	2	3	4	CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@H+](C)C1
187168975	ZINC000125082300	mid	4.17	-9.13	0	275.377	2.264	1	4	5	CCN(Cc1cccs1)C(=O)c1ccnc(CN)c1
342594972	ZINC000590772377	ref	6.65	-39.71	1	281.356	1.499	1	5	7	CCn1ccnc1CNC(=O)CC(C)(C)CC(=O)OC
365633025	ZINC000617415802	low	2.84	-61.3	1	262.375	0.02	2	3	4	CC(C)S(=O)(=O)CC(=O)N[C@@H]1CCC[N@@H+](C)C1
365633031	ZINC000617415933	ref	7.21	-47.58	1	281.4	0.989	2	2	3	C[N@@H+]1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1
365632961	ZINC000625069110	ref	4.91	-8.62	0	307.413	2.11	1	3	4	CC(C)(C)CNC(=O)CN1CCN(c2ccc(F)cc2)CC1
365632968	ZINC000625069110	low	7.09	-44.61	1	307.413	2.11	2	2	4	CC(C)(C)CNC(=O)C[NH+]1CCN(c2ccc(F)cc2)CC1
365632977	ZINC000625068970	ref	6.09	-10.62	0	317.422	2.417	1	7	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)Cc1nccs1
365632986	ZINC000625069647	ref	4.54	-8.47	0	313.41	2.497	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@H](C)[C@@H]1C
214183941	ZINC000278484628	ref	6.42	-34.69	1	321.808	2.021	3	2	5	O=C(CNC(=O)[C@H]1CCC[N@@H+]1C1CC1)Nc1ccc(Cl)cc1
262839069	ZINC000399563263	ref	3.65	-8.54	0	207.277	1.526	1	2	1	C[C@@H]1CN(C(=O)c2cn[nH]c2)[C@H](C)[C@@H]1C
342078070	ZINC000625288449	mid	5.07	-33.83	1	276.38	1.712	3	3	7	O[C@@H](C[N@@H+](Cc1ccccn1)C1CC1)CC1(O)CCC1
214183944	ZINC000278484628	mid	6.0	-38.11	1	321.808	2.021	3	2	5	O=C(CNC(=O)[C@H]1CCC[N@H+]1C1CC1)Nc1ccc(Cl)cc1
214183945	ZINC000278484628	mid	4.24	-9.95	0	321.808	2.021	2	3	5	O=C(CNC(=O)[C@H]1CCCN1C1CC1)Nc1ccc(Cl)cc1
214183950	ZINC000278483242	ref	9.41	-44.19	1	302.462	3.417	1	1	6	C[C@H](CC[NH2+][C@H]1CCC[C@H](C(=O)N(C)C)C1)c1ccccc1
214183954	ZINC000278484597	ref	6.6	-38.73	1	324.852	3.38	2	2	5	Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)c(Cl)c1
214183957	ZINC000278484467	ref	4.93	-10.57	0	322.796	2.26	2	4	6	COC[C@@H](NC(=O)NCc1nccn1C)c1ccc(Cl)cc1
214183961	ZINC000278484467	low	5.45	-35.38	1	322.796	2.26	2	3	6	COC[C@@H](NC(=O)NCc1[nH+]ccn1C)c1ccc(Cl)cc1
214183965	ZINC000278484415	ref	6.59	-7.64	0	314.288	2.228	1	4	4	C[C@@H]1COCC[C@@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1
214183968	ZINC000278484426	ref	3.48	-46.36	1	316.279	1.186	2	3	5	C[C@](O)(C[NH2+]CCN1C(=O)c2ccccc2C1=O)C(F)(F)F
214183971	ZINC000278484426	high	2.05	-9.76	0	316.279	1.186	2	4	5	C[C@](O)(CNCCN1C(=O)c2ccccc2C1=O)C(F)(F)F
214183975	ZINC000278483256	ref	3.06	-13.14	0	314.389	3.089	2	5	8	CCCCNC(=O)c1ccc(CNc2nnc(C3CC3)o2)cc1
214183979	ZINC000278483014	ref	6.79	-19.14	0	319.401	3.141	1	4	5	CC1(C)CC[C@@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)O1
214183983	ZINC000278483478	ref	7.25	-11.84	0	323.805	3.192	0	6	6	COc1ccc(OCCN(C)c2nc(Cl)c(C#N)s2)cc1
214183987	ZINC000278484347	ref	7.78	-6.41	0	311.447	2.602	0	5	10	COCCSCCCN(C)[C@@H](C(=O)OC)c1ccccc1
214183992	ZINC000278484347	low	9.77	-37.23	1	311.447	2.602	1	4	10	COCCSCCC[N@H+](C)[C@@H](C(=O)OC)c1ccccc1
187168976	ZINC000125086172	ref	8.24	-7.68	0	293.432	3.404	1	3	7	CC[C@H](SC)C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1
136229118	ZINC000232465716	ref	4.14	-38.83	1	220.316	1.999	2	2	3	c1cc2c(o1)CCC[C@H]2NC[C@H]1CCC[NH2+]1
187168977	ZINC000125090908	ref	4.97	-35.91	1	255.358	2.199	2	3	10	COCC[N@H+](CCCCCO)Cc1ccc(C)o1
190493385	ZINC000269425539	ref	3.4	-11.21	0	275.308	1.696	1	5	5	CO[C@H](C)C(=O)NCc1noc(-c2ccccc2C)n1
187168978	ZINC000125090908	mid	4.99	-36.76	1	255.358	2.199	2	3	10	COCC[N@@H+](CCCCCO)Cc1ccc(C)o1
187168979	ZINC000125090908	high	2.97	-6.55	0	255.358	2.199	1	4	10	COCCN(CCCCCO)Cc1ccc(C)o1
187168980	ZINC000125085283	ref	6.45	-9.68	0	289.379	2.086	0	4	3	CCn1nccc1/C=C/C(=O)N1CCO[C@@H]2CCCC[C@H]21
187168981	ZINC000125089434	ref	8.72	-14.12	0	287.359	2.344	0	3	3	C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)C[C@H]1COC(=O)C1
349534483	ZINC000602429601	high	4.98	-6.81	0	224.304	1.652	0	4	4	COC(=O)c1ccc(CN(C)C(C)C)n1C
187168982	ZINC000125090240	ref	1.63	-16.42	0	298.368	1.032	2	5	4	CNC(=O)[C@@H]1CCCN1C(=O)Nc1nc(COC)cs1
187168983	ZINC000125088833	ref	7.74	-39.89	1	258.381	2.363	2	1	7	CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCF)C1
187168984	ZINC000125088833	mid	7.95	-34.57	1	258.381	2.363	2	1	7	CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCF)C1
187168985	ZINC000125090585	ref	0.48	-16.89	0	286.353	1.001	2	4	5	CC1(NC(=O)c2ccc(CNS(C)(=O)=O)o2)CCC1
187168986	ZINC000125090375	ref	5.26	-12.11	0	271.32	2.114	1	4	5	CCOc1cccnc1C(=O)NCc1cncc(C)c1
342078071	ZINC000625288449	mid	3.02	-7.32	0	276.38	1.712	2	4	7	O[C@@H](CN(Cc1ccccn1)C1CC1)CC1(O)CCC1
342078072	ZINC000237993538	ref	4.08	-16.15	0	276.336	1.789	2	4	5	O=C(COC[C@@H]1CCCO1)Nc1ccc2c(c1)CCN2
178300540	ZINC000082795283	ref	3.87	-6.37	0	285.189	2.488	1	4	5	CCN[C@](C)(C#N)C[C@H](C)n1cc(Br)cn1
349534485	ZINC000602428988	ref	-3.1	-10.54	0	241.291	0.881	3	4	5	CC(C)[C@@](C)(O)CNC(=O)NCc1cocn1
187168987	ZINC000125085052	ref	6.72	-9.89	0	289.379	2.086	0	4	3	CCn1nccc1/C=C/C(=O)N1CCO[C@H]2CCCC[C@H]21
187168988	ZINC000125081705	ref	5.67	-7.16	0	257.318	2.649	0	5	4	COc1ccccc1CSc1cnc(C#N)cn1
178300543	ZINC000082795283	low	5.09	-46.89	1	285.189	2.488	1	3	5	CC[NH2+][C@](C)(C#N)C[C@H](C)n1cc(Br)cn1
187168989	ZINC000125081568	ref	1.54	-8.97	0	265.718	1.479	0	5	5	COC[C@@H](C)S(=O)(=O)Oc1ccc(Cl)nc1
187168990	ZINC000125089289	ref	7.95	-34.47	1	258.381	2.363	2	1	7	CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCF)C1
365632966	ZINC000336550233	ref	4.66	-7.67	0	284.4	2.012	1	3	2	CC(C)(C)[C@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCO1
398248297	ZINC000390781352	high	1.35	-36.66	1	211.309	-0.053	2	2	1	C[C@@H]1NCCN(C(=O)[C@H]2CCC[NH2+]2)[C@H]1C
398248299	ZINC000625687060	ref	6.01	-32.87	1	231.286	2.428	1	1	2	FC1(F)C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H]1CCCO1
192037548	ZINC000273074367	low	3.24	-37.2	1	270.279	0.82	2	2	5	O=C(C[NH2+][C@@H](CO)c1c(F)cccc1F)N1CCC1
192037550	ZINC000273075119	ref	4.16	-7.12	0	290.363	2.31	1	4	4	C[C@@H]1OCC[C@@H]1NC(=O)c1ccc(OC2CCCC2)nc1
398248303	ZINC000625687060	mid	6.41	-33.25	1	231.286	2.428	1	1	2	FC1(F)C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H]1CCCO1
398248305	ZINC000625687060	high	4.0	-3.31	0	231.286	2.428	0	2	2	FC1(F)C[C@@H]2CC[C@H](C1)N2C[C@H]1CCCO1
342594973	ZINC000590772377	low	6.65	-39.71	1	281.356	1.499	1	4	7	CCn1cc[nH+]c1CNC(=O)CC(C)(C)CC(=O)OC
398248309	ZINC000625698674	ref	5.63	-7.1	0	243.253	3.22	1	2	5	C=CC[C@@H](C)NC(=O)c1oc(C(F)F)cc1C
342594974	ZINC000590771965	ref	7.97	-20.08	0	298.452	1.987	0	3	2	CS[C@@H]1CCN(C(=O)[C@H]2CCCN2C(=O)C(C)(C)C)C1
365632972	ZINC000336550569	ref	4.36	-13.11	0	275.352	2.349	2	3	3	CC(=O)Nc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)nc1
365632983	ZINC000336550337	ref	5.8	-15.09	0	284.359	2.463	1	3	3	O=C(CN1CCOCC2(CC2)C1)c1c[nH]c2ccccc12
398248311	ZINC000625698707	ref	1.45	-10.42	0	230.214	2.307	1	3	5	C=CC[C@@H](C)NC(=O)c1ocnc1C(F)F
192037552	ZINC000273075790	ref	9.07	-46.22	1	273.38	2.939	1	3	6	COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2ccnc2)cc1C
398248315	ZINC000076845925	ref	4.98	-6.43	0	231.299	2.631	0	4	3	Cc1ccc(N(C)Cc2noc(C)n2)c(C)c1
398248319	ZINC000390779416	ref	4.17	-16.61	0	236.304	0.247	1	7	2	C[C@H]1SCC[C@@H]1Nc1ccc2nnnn2n1
398248322	ZINC000395033724	ref	3.05	-11.04	0	243.303	2.217	1	3	4	C/C=C\CNc1ccc(S(C)(=O)=O)cc1F
398248325	ZINC000390779445	ref	3.15	-12.58	0	238.312	1.411	2	3	2	C[C@H]1SCC[C@@H]1NC(=O)c1ccc(=O)[nH]c1
342594975	ZINC000616962591	ref	2.5	-17.07	0	252.701	1.267	2	2	2	Cc1cc(C(=O)N[C@@H]2CCNC2=O)ccc1Cl
398248329	ZINC000313443297	ref	7.98	-41.46	1	249.402	3.177	1	2	6	CCC[C@H]([NH2+]Cc1cn(C)nc1C)C1CCCC1
290622376	ZINC000492519986	ref	7.2	-15.44	0	297.358	2.466	1	4	3	O=C(/C=C\c1ccc(O)cc1)N1CCC(n2ccnc2)CC1
398248332	ZINC000390779412	ref	4.13	-15.46	0	236.304	0.247	1	7	2	C[C@@H]1SCC[C@H]1Nc1ccc2nnnn2n1
398248336	ZINC000390779418	ref	5.59	-4.7	0	233.237	2.436	1	3	3	CC[C@H](C)Nc1cc(C(F)(F)F)nc(C)n1
398248340	ZINC000390781349	ref	2.82	-93.99	2	211.309	-0.053	2	1	1	C[C@@H]1[NH2+]CCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C
187168991	ZINC000125089289	mid	7.74	-39.93	1	258.381	2.363	2	1	7	CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCF)C1
187168992	ZINC000125080726	ref	1.64	-46.45	1	257.378	0.784	3	2	10	CCCC[C@H](CCC)CNC(=O)CNC(=O)C[NH3+]
178300537	ZINC000237164299	ref	5.63	-50.41	1	374.485	1.452	2	5	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1
178300541	ZINC000237164299	high	4.43	-12.11	0	374.485	1.452	2	6	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)CC1
365632973	ZINC000354702796	low	9.07	-39.5	1	287.367	1.962	3	3	6	CC[C@@H](C(=O)Nc1n[nH]c(C)n1)[N@H+](C)Cc1ccccc1
187168993	ZINC000125080726	mid	1.24	-8.65	0	257.378	0.784	3	3	10	CCCC[C@H](CCC)CNC(=O)CNC(=O)CN
187168994	ZINC000125083987	ref	4.72	-5.2	0	253.346	2.492	1	5	9	CCCC[C@@H](COC)Nc1cc(OCC)ncn1
187168995	ZINC000125082965	ref	4.29	-12.28	0	287.363	2.072	2	4	6	CC[C@@H](O)CCNC(=O)c1cnn(-c2ccccc2)c1C
178300542	ZINC000237175222	ref	4.48	-13.79	0	366.439	1.915	1	6	7	COC(=O)c1cc(CNCc2ccc(S(=O)(=O)N(C)C)cc2)oc1C
187168996	ZINC000125091216	ref	3.03	-14.8	0	291.756	2.013	0	5	4	O=S(=O)(C[C@@H]1CCCCO1)Oc1ccc(Cl)nc1
187168997	ZINC000125079929	ref	9.83	-71.38	-1	291.347	2.086	0	4	4	Cc1cccc(OCC(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])c1
187168998	ZINC000125090962	ref	7.25	-40.67	1	299.484	2.446	3	2	6	CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCS2)CC1
187168999	ZINC000125084784	ref	-1.32	-23.96	0	254.29	-0.373	2	6	4	C[C@@H](O)c1cn(CC(=O)NC2CCOCC2)nn1
187169000	ZINC000125083174	ref	4.68	-11.06	0	295.404	2.434	1	4	4	CC[C@@H](SC)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1
282123632	ZINC000449156083	ref	5.55	-9.8	0	265.378	2.056	2	3	6	O=C(NCCSc1ccccc1)[C@@H](O)C1CCC1
187169002	ZINC000125086391	ref	8.14	-8.16	0	293.432	3.404	1	3	7	CC[C@@H](SC)C(=O)N[C@@H](c1ccc(OC)cc1)C1CC1
178300546	ZINC000237175222	mid	5.84	-64.19	1	366.439	1.915	1	5	7	COC(=O)c1cc(C[NH2+]Cc2ccc(S(=O)(=O)N(C)C)cc2)oc1C
178300549	ZINC000237176962	ref	6.73	-50.39	1	354.476	1.501	2	5	7	C[NH2+]C[C@@H]1CCCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)C1
187169003	ZINC000125086252	ref	1.82	-12.44	0	281.36	0.651	2	5	4	C[C@H](NC(=O)Nc1ccnn1C)[C@@H](C)N1CCOCC1
187169004	ZINC000125086252	low	3.7	-47.63	1	281.36	0.651	3	4	4	C[C@H](NC(=O)Nc1ccnn1C)[C@@H](C)[NH+]1CCOCC1
187169005	ZINC000125089347	ref	2.61	-11.37	0	266.345	0.76	2	4	4	C[C@H](NC(=O)CNC(=O)C(C)(C)C)c1cnn(C)c1
349534488	ZINC000621492459	ref	7.62	-12.54	0	298.333	3.214	1	2	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC(c2ccco2)CC1
214183942	ZINC000053448374	ref	8.63	-12.31	0	343.427	3.433	0	5	5	Cc1noc(C2CCN(C(=O)CCc3ccc([C@@H]4C[C@H]4C)o3)CC2)n1
342078073	ZINC000625288345	ref	6.72	-19.33	0	287.294	1.951	1	3	2	O=C(c1cc(=O)[nH]cn1)N1CC[C@H](c2cccc(F)c2)C1
342078074	ZINC000625288345	high	5.56	-43.76	-1	287.294	1.951	0	3	2	O=C(c1cc(=O)[n-]cn1)N1CC[C@H](c2cccc(F)c2)C1
365632976	ZINC000641596585	ref	4.14	-12.36	0	295.408	1.805	1	3	5	O=S(=O)(NC/C=C/c1cccnc1)N1CCCCCC1
214183948	ZINC000053454800	ref	3.16	-16.13	0	341.371	2.551	0	7	2	Cc1cc(C(=O)N2CCC(c3nc(C)no3)CC2)c2c(C)noc2n1
214183951	ZINC000053455143	ref	5.28	-16.97	0	329.356	2.055	0	6	3	Cc1noc(C2CCN(C(=O)Cc3ccc4c(c3)OCO4)CC2)n1
398248298	ZINC000645408091	ref	2.39	-11.95	0	243.307	0.241	1	3	4	CC[C@H](CNC(=O)N1CN(C)C(=O)[C@H]1C)OC
214183960	ZINC000053455074	ref	6.73	-17.55	0	348.447	2.121	0	5	5	CCC[C@@H](C)N1C[C@@H](C(=O)N2CCC(c3nc(C)no3)CC2)CC1=O
365632982	ZINC000641596600	ref	2.55	-16.27	0	296.392	1.441	1	4	7	O=S(=O)(CC[C@@H]1CCOC1)NC/C=C/c1cccnc1
214183964	ZINC000053445743	ref	2.14	-26.13	0	331.397	2.296	3	4	5	CC(=O)Nc1cccc([C@H](C)NC(=O)c2cc(C(N)=O)cs2)c1
365632989	ZINC000641600131	ref	-0.02	-19.97	0	299.352	1.714	1	6	6	Cc1nc(C(C)C)oc1CNS(=O)(=O)Cc1ccon1
214183969	ZINC000053455036	ref	6.27	-17.19	0	332.429	2.412	0	6	5	Cc1noc(C2CCN(C(=O)CSCc3ccncc3)CC2)n1
282122157	ZINC000333624319	ref	3.68	-62.38	1	306.414	0.718	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCC[C@H]1C[NH3+])CC2
214183974	ZINC000053454716	ref	4.21	-19.44	0	333.413	2.135	0	5	3	Cc1noc(C2CCN(C(=O)c3ccc([S@](C)=O)cc3)CC2)n1
214183976	ZINC000053456228	ref	6.09	-18.31	0	334.828	3.305	1	3	5	NC(=O)c1csc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c1
197591760	ZINC000162789510	ref	6.78	-45.02	1	320.433	1.928	1	3	9	C[C@H]([NH2+]CC(=O)N(C)CCCOc1ccccc1)[C@@H]1CCOC1
214183980	ZINC000053452880	ref	7.05	-14.62	0	347.509	3.186	1	5	6	Cc1csc(SCC(=O)NC[C@H]2CCN(c3ccccc3)C2)n1
214183984	ZINC000053461226	ref	3.2	-27.15	0	338.429	1.476	2	4	7	CCS(=O)(=O)CC(=O)NCc1cccc(NC(=O)C2CCC2)c1
342078075	ZINC000625288108	ref	3.15	-16.09	0	292.364	1.866	2	5	3	CC(C)(C)c1csc(CNC(=O)c2cc(=O)[nH]cn2)n1
342078076	ZINC000625288108	high	1.99	-41.91	-1	292.364	1.866	1	5	3	CC(C)(C)c1csc(CNC(=O)c2cc(=O)[n-]cn2)n1
214183946	ZINC000337622422	high	3.43	-33.25	-1	294.351	3.115	1	3	4	CC(C)[C@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1
365632978	ZINC000354702796	low	9.07	-39.32	1	287.367	1.962	3	3	6	CC[C@@H](C(=O)Nc1n[nH]c(C)n1)[N@@H+](C)Cc1ccccc1
365632981	ZINC000354702796	low	9.57	-44.34	1	287.367	1.962	3	3	6	CC[C@@H](C(=O)Nc1nnc(C)[nH]1)[N@H+](C)Cc1ccccc1
365632984	ZINC000354702796	low	9.57	-44.18	1	287.367	1.962	3	3	6	CC[C@@H](C(=O)Nc1nnc(C)[nH]1)[N@@H+](C)Cc1ccccc1
365632988	ZINC000354702796	low	9.08	-42.91	1	287.367	1.962	3	3	6	CC[C@@H](C(=O)Nc1nc(C)n[nH]1)[N@H+](C)Cc1ccccc1
214183949	ZINC000337621400	ref	5.14	-8.72	0	284.306	3.142	2	2	6	CCOCc1ccc(NC(=O)NC2(C(F)F)CC2)cc1
365632992	ZINC000354702796	low	9.08	-42.65	1	287.367	1.962	3	3	6	CC[C@@H](C(=O)Nc1nc(C)n[nH]1)[N@@H+](C)Cc1ccccc1
365632995	ZINC000354703091	ref	2.91	-10.32	0	271.32	1.98	2	4	6	COC[C@H](Nc1ccc(C(N)=O)cn1)c1ccccc1
365633000	ZINC000639790091	ref	4.1	-10.16	0	269.395	1.807	0	6	5	Cc1csc(=O)n1CCN(C)Cc1ccns1
214183953	ZINC000337622330	ref	3.27	-13.37	0	287.356	0.433	1	5	7	COC(=O)C1CCC(C(=O)N(C)CCOCCO)CC1
342594976	ZINC000590771840	ref	5.12	-8.2	0	268.382	1.009	1	3	4	CS[C@H]1CCN(C(=O)C2(C(=O)NC3CC3)CC2)C1
365633005	ZINC000639790091	low	6.44	-48.86	1	269.395	1.807	1	5	5	Cc1csc(=O)n1CC[N@@H+](C)Cc1ccns1
342594977	ZINC000616962580	ref	1.01	-15.73	0	267.354	1.059	2	4	2	CC(C)(C)c1ncsc1C(=O)N[C@@H]1CCNC1=O
365633008	ZINC000639790091	low	6.44	-49.65	1	269.395	1.807	1	5	5	Cc1csc(=O)n1CC[N@H+](C)Cc1ccns1
282122159	ZINC000248969027	high	2.71	-10.46	0	311.447	1.908	2	4	6	Cc1ccc(S(=O)(=O)C[C@H](C)NC[C@@H]2CC[C@@H](O)C2)cc1
168365977	ZINC000136717019	ref	2.71	-63.26	1	191.234	0.628	2	2	2	C[C@@H]([NH3+])Cn1[nH]cc2ccc(=O)cc1-2
214183958	ZINC000337621380	ref	8.4	-12.76	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2CC[C@@H](C)C2)n1
323004459	ZINC000150975299	low	6.7	-41.67	1	242.348	0.887	1	3	6	CSCCN(C)C(=O)NCCn1cc[nH+]c1
342594978	ZINC000616962499	ref	2.45	-17.43	0	272.757	1.51	2	3	3	C[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(Cl)s1
365633010	ZINC000354703776	ref	3.77	-8.88	0	262.353	1.81	2	3	6	C/C=C\C[C@@H](CO)NC(=O)c1cccc(N(C)C)c1
214183962	ZINC000337623616	ref	-0.66	-18.66	0	275.349	-0.449	3	4	9	CC(C)NC(=O)CCNC(=O)N(C)CCOCCO
214183972	ZINC000337621045	ref	3.02	-10.69	0	275.324	2.091	2	3	5	Cc1nc(CCNC(=O)NC2(C(F)F)CC2)cs1
214183977	ZINC000337624172	ref	10.56	-10.55	0	298.39	2.418	1	4	6	CC[C@@H]1C[C@@]1(NC(=O)CCn1cncn1)c1cccc(C)c1
282122160	ZINC000533469812	mid	2.58	-11.27	0	292.383	1.589	3	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1
342078077	ZINC000625288883	ref	3.04	-46.28	-1	295.364	1.245	0	4	3	C=C1CCN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)CC1
342078078	ZINC000625288883	mid	3.18	-17.36	0	295.364	1.245	1	4	3	C=C1CCN(C(=O)c2ccc(NS(C)(=O)=O)nc2)CC1
290622378	ZINC000492519986	low	7.88	-43.19	1	297.358	2.466	1	3	3	O=C(/C=C\c1ccc(O)cc1)N1CCC(n2cc[nH+]c2)CC1
342078079	ZINC000625288197	ref	3.02	-47.52	1	293.363	1.732	3	4	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
365632985	ZINC000122909686	high	7.57	-7.22	0	294.402	2.287	0	4	3	N#Cc1cccnc1N1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1
365632990	ZINC000122928715	ref	5.81	-12.93	0	292.354	2.056	1	2	4	CCC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)c1cccc(F)c1
136229119	ZINC000232465716	low	5.46	-121.04	2	220.316	1.999	2	1	3	c1cc2c(o1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1
342078080	ZINC000625288197	high	1.93	-6.68	0	293.363	1.732	3	5	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078081	ZINC000621356245	ref	2.96	-15.26	0	291.376	1.179	1	5	3	Cn1cc(CN[C@H]2CS(=O)(=O)Cc3ccccc32)cn1
342078082	ZINC000621356245	low	3.77	-58.81	1	291.376	1.179	1	4	3	Cn1cc(C[NH2+][C@H]2CS(=O)(=O)Cc3ccccc32)cn1
342078083	ZINC000625288743	ref	5.48	-10.61	0	276.38	1.862	1	2	2	C=C1CCN(C(=O)[C@]2(C3CCCC3)CCNC2=O)CC1
282122163	ZINC000533469444	ref	1.99	-12.34	0	298.305	1.368	2	3	5	C[C@H](O)[C@@H]1CCCN(C(=O)NCCOCC(F)(F)F)C1
282122168	ZINC000533469728	ref	4.23	-16.42	0	287.363	1.704	2	3	6	CC1=C(C(=O)NCCC(=O)NCc2cccnc2)CCC1
342078084	ZINC000625288868	ref	2.96	-8.47	0	261.387	1.662	1	3	5	CC[C@@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)C1CC1
342078085	ZINC000625287891	ref	3.04	-15.01	0	297.38	1.371	1	4	4	C[C@H]1CCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1
342078086	ZINC000625287891	mid	3.04	-15.01	0	297.38	1.371	2	4	4	C[C@H]1CCC[C@H]1NC(=O)c1ccc(NS(C)(=O)=O)nc1
342078087	ZINC000625287902	ref	1.44	-42.05	-1	278.337	1.828	2	5	4	CC[C@@H](NC(=O)c1cc(=O)[nH]cn1)c1nc(C)cs1
342078088	ZINC000625287902	high	1.44	-42.05	-1	278.337	1.828	1	5	4	CC[C@@H](NC(=O)c1cc(=O)[n-]cn1)c1nc(C)cs1
342078089	ZINC000625291593	ref	7.22	-18.54	0	284.323	1.01	1	6	3	Cc1cc(C(=O)NCc2nnc(C)n2C)c2nccn2c1
185087528	ZINC000096070918	ref	4.61	-50.88	1	284.385	0.136	1	4	3	CC[N@@H+]1CCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1
166172807	ZINC000026510777	ref	4.41	-36.59	1	182.267	0.795	1	1	6	C=CCN(CC=C)C(=O)[C@H](C)[NH2+]C
190493389	ZINC000269428700	ref	6.34	-8.67	0	259.331	1.949	0	6	8	COCC[C@@H](C)SCCn1cc([N+](=O)[O-])cn1
365639109	ZINC000354712818	low	8.78	-102.05	2	288.439	1.995	2	2	2	Cc1ccnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@H](C)C2)c1
282122164	ZINC000491843319	ref	6.44	-35.57	1	254.374	1.378	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)CCO1
349534490	ZINC000621491219	ref	6.55	-9.5	0	294.37	3.02	1	2	3	COc1ccc(F)c(CNC(=O)N2C[C@H](C)[C@H](C)[C@H]2C)c1
282122178	ZINC000491843319	high	3.89	-6.12	0	254.374	1.378	0	3	3	CN(C)C[C@@H]1CN(C(=O)/C=C\C(C)(C)C)CCO1
282122185	ZINC000351759161	ref	5.35	-80.23	2	340.468	-0.236	3	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1
187169009	ZINC000125086310	ref	-0.01	-9.87	0	268.313	0.531	3	4	6	CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)CO
187169010	ZINC000125083911	ref	4.57	-14.7	0	251.33	2.328	2	3	7	COCCCCCNC(=O)Nc1cccc(C)n1
342078090	ZINC000625287845	ref	4.77	-10.08	0	273.398	1.831	1	3	8	CCO[C@@H](CS(=O)(=O)NCC1=CCCC1)C1CC1
187169011	ZINC000125082425	ref	4.66	-8.74	0	279.246	2.324	1	4	3	COc1cc(F)c(NC(=O)c2cncnc2C)cc1F
187169012	ZINC000125090455	ref	6.69	-46.61	1	277.261	3.113	1	1	4	Fc1cc(C[NH2+]C[C@@H]2CCCO2)cc(C(F)(F)F)c1
187169013	ZINC000125090455	high	5.24	-4.55	0	277.261	3.113	1	2	4	Fc1cc(CNC[C@@H]2CCCO2)cc(C(F)(F)F)c1
187169014	ZINC000125083675	ref	7.93	-35.48	1	282.79	3.196	2	1	4	Fc1c(Cl)cccc1CNC1CC[NH+](C2CC2)CC1
187169015	ZINC000125083675	mid	7.21	-40.75	1	282.79	3.196	1	1	4	Fc1c(Cl)cccc1C[NH2+]C1CCN(C2CC2)CC1
323004460	ZINC000561583135	ref	6.53	-6.83	0	240.391	3.443	2	1	7	CCCC[C@H](CCC)NC(=O)N[C@@H]1CC[C@H]1C
342078091	ZINC000625288195	ref	1.73	-47.24	1	293.363	1.732	3	4	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078092	ZINC000625288195	high	0.57	-7.15	0	293.363	1.732	3	5	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078093	ZINC000625288196	ref	3.03	-47.05	1	293.363	1.732	3	4	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078094	ZINC000625288196	high	1.93	-7.46	0	293.363	1.732	3	5	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccc2c(c1)OCO2
342078095	ZINC000625288063	ref	2.73	-9.92	0	277.43	1.751	2	3	9	CCC(C)(C)CS(=O)(=O)NC[C@H](CO)CC1CC1
342078096	ZINC000625287893	ref	2.61	-15.13	0	297.38	1.371	1	4	4	C[C@@H]1CCC[C@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1
342078097	ZINC000625287893	mid	2.61	-15.13	0	297.38	1.371	2	4	4	C[C@@H]1CCC[C@H]1NC(=O)c1ccc(NS(C)(=O)=O)nc1
342078098	ZINC000623714592	ref	3.18	-12.5	0	267.373	1.248	3	2	6	CNC(=O)CCCNC(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
214183955	ZINC000293562859	ref	1.39	-72.1	1	353.444	0.825	3	4	6	CS(=O)(=O)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2
365632991	ZINC000336550337	low	7.94	-45.23	1	284.359	2.463	2	2	3	O=C(C[N@@H+]1CCOCC2(CC2)C1)c1c[nH]c2ccccc12
365632998	ZINC000336550337	low	7.94	-45.24	1	284.359	2.463	2	2	3	O=C(C[N@H+]1CCOCC2(CC2)C1)c1c[nH]c2ccccc12
365633004	ZINC000336550119	ref	6.77	-46.06	1	298.39	2.289	3	2	3	C[C@@H]1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1C
365633009	ZINC000336550119	mid	7.43	-47.44	1	298.39	2.289	3	2	3	C[C@@H]1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@H+]1C
365633011	ZINC000336550119	high	5.14	-9.47	0	298.39	2.289	2	3	3	C[C@@H]1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CCN1C
178300552	ZINC000237164439	ref	4.98	-42.05	1	360.458	1.062	2	5	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1
365633018	ZINC000336550178	ref	7.58	-10.89	0	292.354	2.008	0	2	2	CC(=O)N1CCN(C(=O)[C@@H](C)c2ccccc2F)[C@H](C)C1
178300554	ZINC000237164439	high	3.61	-12.46	0	360.458	1.062	2	6	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@H]3CCCCN3)cc2)CC1
178300556	ZINC000237175544	ref	6.75	-49.62	1	350.426	1.948	1	5	3	C[NH2+]C1CCN(C(=O)c2nnn(-c3cccc4cccnc34)c2C)CC1
178300561	ZINC000237173495	ref	4.38	-51.16	1	359.879	1.028	1	3	5	C[NH2+]C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
214183959	ZINC000293564477	ref	4.45	-16.31	0	370.45	0.691	1	4	3	CS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCN(c3ccccc3F)C2)CC1
214183963	ZINC000293566827	ref	0.94	-14.81	0	351.359	0.518	2	6	4	COC(=O)N1CC(NC(=O)C(=O)Nc2cc(OC)c(C)c(OC)c2)C1
214183966	ZINC000293561429	ref	4.07	-19.57	0	372.425	0.877	2	4	4	CNC(=O)[C@H]1CCCN1C(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1
168365981	ZINC000136717019	high	2.55	-38.64	0	191.234	0.628	1	2	2	C[C@@H]([NH3+])Cn1[n-]cc2ccc(=O)cc1-2
178305383	ZINC000237266332	ref	2.67	-47.68	1	350.459	1.879	3	4	8	COc1ccc(OC)c([C@@H](O)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1
214183973	ZINC000293561421	ref	4.11	-20.19	0	372.425	0.877	2	4	4	CNC(=O)[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1
214183978	ZINC000293556989	ref	3.14	-19.58	0	373.409	0.659	2	5	5	NC(=O)COc1cccc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)c1
214183981	ZINC000293565108	ref	3.67	-14.46	0	359.382	0.976	2	6	1	Cn1c(=O)oc2c(NC(=O)C(=O)N3CC[C@@H](O)C34CCCC4)cccc21
342594979	ZINC000590772387	ref	4.87	-10.6	0	275.268	1.214	1	6	4	C[C@@H](NC(=O)c1ccc([N+](=O)[O-])n1C)c1cnccn1
365632993	ZINC000625069416	ref	2.95	-9.41	0	319.467	2.067	1	4	6	CCC1(CC)[C@H](NS(=O)(=O)[C@H]2COC(C)(C)C2)C[C@H]1OC
342594980	ZINC000590771847	ref	7.12	-12.12	0	265.382	1.409	0	4	2	CS[C@H]1CCN(C(=O)[C@@H]2CCc3nccn3C2)C1
197591770	ZINC000162786854	ref	3.87	-16.8	0	315.373	1.591	3	4	5	Cc1cc(=O)n(C)cc1NC(=O)NC[C@H](CO)c1ccccc1
342594981	ZINC000590771847	low	7.58	-37.31	1	265.382	1.409	0	3	2	CS[C@H]1CCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1
342594982	ZINC000590772703	ref	7.13	-11.92	0	282.347	1.576	0	4	1	Cn1ncc(C(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1C#N
342594983	ZINC000590772568	ref	6.8	-13.84	0	271.357	1.602	0	4	6	COC(=O)CC(C)(C)CC(=O)N(C(C)C)C1COC1
293078005	ZINC000561317281	mid	2.73	-10.57	0	267.398	1.705	1	4	5	C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)c1nccs1
365633001	ZINC000625069359	ref	6.23	-9.26	0	318.425	2.33	1	6	6	COC[C@@H]1CCCCN1c1nnc(-c2cn[nH]c2)n1CC(C)C
365633006	ZINC000625068983	ref	7.41	-10.49	0	318.425	2.328	1	6	5	CC[C@@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C[C@@H](C)O1
365633013	ZINC000625068979	ref	7.21	-10.54	0	318.425	2.328	1	6	5	CC[C@@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C[C@H](C)O1
365633016	ZINC000625069834	ref	1.23	-12.29	0	303.337	2.321	1	4	4	NC(=O)[C@H]1CCCCN1Cc1coc(-c2ccccc2F)n1
349534492	ZINC000621492372	ref	8.73	-10.48	0	294.345	3.108	1	1	3	Cc1ccc2c(c1)CN(C(=O)NCC[C@H]1CC1(F)F)CC2
365633020	ZINC000625069834	low	3.77	-36.27	1	303.337	2.321	2	3	4	NC(=O)[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2F)n1
197591779	ZINC000162798992	ref	2.06	-7.87	0	302.168	2.309	2	3	5	CC[C@H](COC)NC(=O)c1ccc(Br)c(O)c1
214183982	ZINC000337620682	ref	-0.5	-10.54	0	279.287	0.71	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@H]1CCCC[C@H]1OC(F)F
197591784	ZINC000162798992	mid	2.81	-45.67	-1	302.168	2.309	1	3	5	CC[C@H](COC)NC(=O)c1ccc(Br)c([O-])c1
365633023	ZINC000625069834	low	3.19	-36.0	1	303.337	2.321	2	3	4	NC(=O)[C@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2F)n1
365633029	ZINC000625067290	ref	6.71	-12.11	0	314.307	2.28	1	2	5	C[C@@H](CC(=O)NCCN1C(=O)Cc2ccccc21)C(F)(F)F
342594984	ZINC000616962581	ref	1.01	-15.56	0	267.354	1.059	2	4	2	CC(C)(C)c1ncsc1C(=O)N[C@H]1CCNC1=O
342600494	ZINC000616999954	ref	5.76	-39.1	1	280.412	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@]23CCOC3)C1
365633035	ZINC000625069094	ref	7.05	-11.73	0	315.381	2.257	1	7	6	Cc1cc(CN(C)c2nnc(-c3cn[nH]c3)n2CC(C)C)no1
185087530	ZINC000096070918	mid	4.62	-51.29	1	284.385	0.136	1	4	3	CC[N@H+]1CCC2(CN(S(=O)(=O)c3cn(C)cn3)C2)C1
185087531	ZINC000096070918	high	2.02	-15.05	0	284.385	0.136	0	5	3	CCN1CCC2(C1)CN(S(=O)(=O)c1cn(C)cn1)C2
185087533	ZINC000096070586	ref	7.5	-12.68	0	277.339	2.394	0	2	2	C[C@H]1C[C@@H]2CCN(C(=O)Cc3cccc(F)c3)C[C@H]2O1
185087535	ZINC000096071395	ref	8.76	-51.58	1	283.375	2.259	1	2	1	C[N@@H+]1CCC[C@]12CCCN(C(=O)c1cccc(C#N)c1)C2
185087536	ZINC000096071395	mid	8.49	-51.92	1	283.375	2.259	1	2	1	C[N@H+]1CCC[C@]12CCCN(C(=O)c1cccc(C#N)c1)C2
185087539	ZINC000096071395	high	6.25	-8.79	0	283.375	2.259	0	3	1	CN1CCC[C@]12CCCN(C(=O)c1cccc(C#N)c1)C2
185087540	ZINC000096072091	ref	4.24	-14.09	0	290.363	1.739	0	4	4	COCC[C@@H]1CO[C@]2(CCN(C(=O)c3cccnc3)C2)C1
343993745	ZINC000079911364	ref	3.82	-11.22	0	280.368	2.15	2	4	7	CCC(O)(CC)CNC(=O)c1ncccc1OC(C)C
185087542	ZINC000096070849	ref	6.52	-18.69	0	262.313	0.162	0	5	3	COCC(=O)N1CC2(CCN(c3ncccn3)C2)C1
178300563	ZINC000336394153	ref	6.02	-12.85	0	243.31	2.856	2	2	3	Cc1cc2n[nH]cc2cc1NC(=O)C[C@@H]1C[C@@H]1C
178300566	ZINC000336394153	mid	5.92	-11.01	0	243.31	2.856	2	2	3	Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1C[C@@H]1C
136229120	ZINC000232465874	ref	6.18	-37.07	1	230.355	2.406	2	1	3	c1ccc2c(c1)CCC[C@@H]2NC[C@H]1CCC[NH2+]1
398248300	ZINC000645409836	ref	4.66	-47.86	1	209.253	0.131	3	3	2	C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1nc[nH]n1
398248304	ZINC000645408119	ref	3.44	-7.74	0	246.376	1.605	2	3	5	CC[C@H](CNC(=O)N[C@@H]1CCS[C@@H]1C)OC
185087543	ZINC000096071254	ref	2.6	-16.4	0	274.324	0.67	1	4	1	Cc1cnc(C(=O)N2CCC[C@]3(CCC(=O)N3)C2)cn1
185087544	ZINC000096070955	ref	8.62	-14.31	0	298.386	2.048	0	2	3	O=C(C1CC1)N1CCC2(CC1)CN(Cc1ccccc1)C2=O
306234640	ZINC000557899704	ref	6.81	-13.29	0	327.348	1.784	2	7	5	Cc1cc(Cn2nnc(C(=O)Nc3nc(C4CC4)c[nH]3)c2C)no1
282122165	ZINC000248970249	ref	4.65	-30.36	1	312.454	1.231	3	3	6	C[C@H](O)C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H](C)CO
185087549	ZINC000096072071	ref	6.26	-42.47	1	279.384	1.736	2	3	5	COCC[C@@H]1CO[C@]2(CC[N@H+](Cc3[nH]cnc3C)C2)C1
178300575	ZINC000236013656	ref	7.52	-12.91	0	226.283	2.58	1	3	1	Cc1cc2nc(-c3cncn3C)[nH]c2cc1C
136229121	ZINC000232465874	low	7.44	-125.35	2	230.355	2.406	2	0	3	c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]1
185087551	ZINC000096072071	mid	6.21	-42.29	1	279.384	1.736	2	3	5	COCC[C@@H]1CO[C@]2(CC[N@@H+](Cc3[nH]cnc3C)C2)C1
187169016	ZINC000125083675	low	9.16	-107.86	2	282.79	3.196	2	0	4	Fc1c(Cl)cccc1C[NH2+]C1CC[NH+](C2CC2)CC1
187169017	ZINC000125091347	ref	1.61	-14.11	0	290.776	1.161	2	6	4	CNc1c(Cl)ncnc1NC[C@@H]1CCCS1(=O)=O
187169018	ZINC000125083207	ref	5.47	-46.27	1	288.395	2.423	1	4	7	CCn1nccc1C[NH2+]C[C@@H](c1ccco1)N1CCCC1
187169019	ZINC000125083207	high	4.12	-6.97	0	288.395	2.423	1	5	7	CCn1nccc1CNC[C@@H](c1ccco1)N1CCCC1
282122169	ZINC000248970249	mid	1.97	-9.27	0	312.454	1.231	3	3	6	C[C@H](O)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H](C)CO
178300565	ZINC000237166786	ref	5.93	-43.91	1	353.466	1.909	1	3	6	COc1ccccc1CN1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1
282122170	ZINC000248970249	mid	1.97	-9.27	0	312.454	1.231	2	4	6	C[C@H](O)CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H](C)CO
187169022	ZINC000125086418	ref	6.96	-40.26	1	263.341	1.933	1	4	8	COCC[N@H+](CCn1cccn1)Cc1ccc(C)o1
187169023	ZINC000125086418	mid	6.99	-39.58	1	263.341	1.933	1	4	8	COCC[N@@H+](CCn1cccn1)Cc1ccc(C)o1
187169024	ZINC000125086418	mid	4.96	-7.96	0	263.341	1.933	0	5	8	COCCN(CCn1cccn1)Cc1ccc(C)o1
187169025	ZINC000125082863	ref	4.47	-44.84	1	280.372	1.159	2	4	6	Cc1noc(CCC(=O)NCC[NH+]2CCC(C)CC2)n1
398248302	ZINC000361804305	ref	8.42	-39.19	1	247.382	3.243	1	1	5	CO[C@H](C[NH2+][C@H]1CCc2ccc(C)cc21)C(C)C
187169026	ZINC000125082863	high	2.06	-9.12	0	280.372	1.159	1	5	6	Cc1noc(CCC(=O)NCCN2CCC(C)CC2)n1
365632994	ZINC000641600131	high	-0.41	-48.6	-1	299.352	1.714	0	6	6	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)Cc1ccon1
187169027	ZINC000125081764	ref	5.56	-12.44	0	282.413	2.556	2	4	5	CC(C)Cn1cc(NC(=O)NC[C@@H]2CCCS2)cn1
365633003	ZINC000641600428	ref	5.63	-12.14	0	277.343	1.702	1	3	2	CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ccncc3F)[C@H]2C1
282122176	ZINC000248970322	ref	2.92	-16.33	0	323.414	1.836	1	4	2	C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21
187169029	ZINC000125089721	ref	1.52	-9.8	0	252.314	1.978	3	3	6	CCCOc1ccc(NC(=O)N[C@H](C)CO)cc1
187169030	ZINC000125086691	ref	1.87	-19.81	0	291.311	-0.332	2	4	3	O=C1CN(CC(=O)N2CCC(c3cc[nH]n3)CC2)C(=O)N1
187169031	ZINC000125086691	high	0.03	-53.5	-1	291.311	-0.332	1	4	3	O=C1CN(CC(=O)N2CCC(c3cc[nH]n3)CC2)C(=O)[N-]1
365633007	ZINC000641600428	low	6.15	-40.07	1	277.343	1.702	1	2	2	CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc[nH+]cc3F)[C@H]2C1
187169032	ZINC000125080552	ref	3.36	-5.98	0	293.392	2.657	0	6	5	CCCc1noc(CN2CCO[C@@H](c3ccsc3)C2)n1
178300570	ZINC000237166786	low	8.22	-102.52	2	353.466	1.909	2	2	6	COc1ccccc1C[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1
365632996	ZINC000122909510	ref	9.75	-37.41	1	294.402	2.287	1	3	3	N#Cc1cccnc1N1CC[NH+](C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1
214183985	ZINC000293561259	ref	2.54	-23.76	0	362.386	0.423	2	5	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C(=O)N(C)C)c1
214183990	ZINC000293560883	ref	8.91	-21.54	0	354.37	0.384	1	7	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1
214183994	ZINC000293561547	ref	4.57	-13.04	0	368.39	0.241	2	8	7	CCC(CC)(CNC(=O)C(=O)Nc1c(C(=O)OC)cnn1C)C(=O)OC
365632999	ZINC000122909510	high	7.55	-7.12	0	294.402	2.287	0	4	3	N#Cc1cccnc1N1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1
214183998	ZINC000293562777	ref	7.22	-26.67	0	373.413	0.529	1	7	6	Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)CCn1ncn(C)c1=O
214184004	ZINC000293556100	ref	2.63	-29.71	0	361.446	0.161	3	4	7	CNC(=O)NCCC(=O)NCCC(=O)N1CCN(c2ccccc2)CC1
214184009	ZINC000293561280	ref	2.38	-10.52	0	359.304	0.094	2	4	2	C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)CC1
342078099	ZINC000625288119	ref	2.09	-8.57	0	263.326	1.789	2	6	4	CCc1csc(NC(=O)c2cnc(NC)cn2)n1
342078100	ZINC000617964056	ref	4.62	-13.13	0	289.335	1.64	1	5	5	CCO[C@@H]1C[C@@H](NC(=O)c2cnc3cc(OC)ccn23)C1
178300573	ZINC000237166786	high	5.6	-9.55	0	353.466	1.909	1	4	6	COc1ccccc1CN1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1
214184024	ZINC000293560930	ref	3.15	-11.25	0	374.397	0.612	3	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](O)c1cc(C)cc(C)c1
136229122	ZINC000184906807	ref	6.01	-6.7	0	232.327	2.861	1	2	5	C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccccn1
178300577	ZINC000237160401	ref	5.6	-51.93	1	367.349	1.986	1	4	5	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1C(F)(F)F
214184029	ZINC000293568419	ref	2.82	-15.22	0	365.386	0.153	2	6	7	CCN(C)C(=O)CNC(=O)C(=O)Nc1cc(COC)cc(C(=O)OC)c1
214184037	ZINC000293564790	ref	5.95	-26.1	0	366.443	0.341	1	7	8	CC[C@H](CS(=O)(=O)c1ccccc1)NC(=O)CCn1ncn(C)c1=O
214184042	ZINC000293564595	ref	2.23	-22.93	0	374.441	0.925	1	8	9	COCCn1nnc2c1CCN(C[C@@H](O)COc1cccc(C(C)=O)c1)C2
178300582	ZINC000237172929	ref	6.36	-95.59	2	369.893	1.535	3	3	10	COCC[NH2+]CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1
214183986	ZINC000337620655	ref	8.74	-13.18	0	298.39	2.487	2	3	6	CC[C@@H]1C[C@]1(NC(=O)CCc1nnc[nH]1)c1cccc(C)c1
214183989	ZINC000337620655	mid	8.36	-12.73	0	298.39	2.487	2	3	6	CC[C@@H]1C[C@]1(NC(=O)CCc1nc[nH]n1)c1cccc(C)c1
299072162	ZINC000567662978	high	6.95	-12.79	0	286.379	2.022	1	5	4	CO[C@@H]1C[C@@H]2C[C@H](NCc3nnc4ccccn34)C[C@@H]2C1
342594985	ZINC000590772930	ref	6.4	-10.75	0	281.352	1.213	0	4	2	CC(C)(C)OC(=O)C1CN(C(=O)[C@@H]2C[C@@]23CCOC3)C1
199272999	ZINC000181263567	low	7.15	-31.17	1	314.433	3.335	2	4	8	CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nccc(N)n1
214183993	ZINC000337622378	ref	3.03	-16.56	0	278.316	-0.139	3	5	3	Cc1cc(N(C)C)nc(NC(=O)N[C@@H]2CNC(=O)C2)n1
214183996	ZINC000337624097	ref	8.21	-11.18	0	283.375	3.461	2	2	5	O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1cnc[nH]1
214184000	ZINC000337622549	ref	4.83	-9.95	0	285.225	2.315	3	3	3	O=C(Cc1ccccc1O)Nc1nc(C(F)(F)F)c[nH]1
214184005	ZINC000337622549	mid	4.75	-8.75	0	285.225	2.315	3	3	3	O=C(Cc1ccccc1O)Nc1ncc(C(F)(F)F)[nH]1
214184008	ZINC000337622661	ref	7.71	-90.26	2	299.418	2.488	2	2	4	Cc1cc(NCC[N@@H+]2CCOC(C)(C)C2)c2ccccc2[nH+]1
214184013	ZINC000337622661	mid	7.7	-90.22	2	299.418	2.488	2	2	4	Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)c2ccccc2[nH+]1
214184015	ZINC000337622661	mid	5.74	-26.95	1	299.418	2.488	1	3	4	Cc1cc(NCCN2CCOC(C)(C)C2)c2ccccc2[nH+]1
214184020	ZINC000337622661	high	5.36	-8.35	0	299.418	2.488	1	4	4	Cc1cc(NCCN2CCOC(C)(C)C2)c2ccccc2n1
214184026	ZINC000337623230	ref	6.29	-52.03	1	292.335	0.674	2	4	7	COC(=O)COc1cccc(C(=O)NCC[NH+]2CCC2)c1
214184031	ZINC000337623230	mid	3.11	-19.19	0	292.335	0.674	1	5	7	COC(=O)COc1cccc(C(=O)NCCN2CCC2)c1
214184040	ZINC000337620527	ref	2.63	-16.4	0	271.405	2.014	3	2	9	CCCC[C@H](CC)CNC(=O)NCC(C)(C)C(N)=O
214184044	ZINC000337624103	ref	3.94	-11.18	0	259.302	0.44	1	5	9	CCOC(=O)[C@@H](CCOC)NC(=O)CCC(C)=O
214184050	ZINC000337623737	ref	4.68	-10.47	0	283.318	2.49	2	2	5	C[C@@H](CC(=O)NCC1(O)CCC1)c1ccc(F)cc1F
214184054	ZINC000337623267	ref	4.66	-16.73	0	299.355	3.262	1	5	4	Cc1noc2ncc(NC(=O)CSc3ccccc3)cc12
214184060	ZINC000337620554	ref	7.09	-14.51	0	299.374	2.394	1	4	4	CCc1cccc2c1OCC[C@@H]2NC(=O)Cn1cc(C)cn1
214184063	ZINC000337621174	ref	8.23	-8.18	0	273.376	3.106	1	2	6	CC[C@@H]1C[C@]1(NC(=O)CCC(C)=O)c1cccc(C)c1
187169033	ZINC000125083420	ref	5.81	-44.56	1	288.395	2.423	1	4	7	CCn1nccc1C[NH2+]C[C@H](c1ccco1)N1CCCC1
342594986	ZINC000590773805	ref	2.69	-7.38	0	270.285	1.006	1	6	6	CC[C@](C)(CNC(=O)c1cc(C(=O)OC)no1)OC
187169034	ZINC000125083420	high	4.86	-6.1	0	288.395	2.423	1	5	7	CCn1nccc1CNC[C@H](c1ccco1)N1CCCC1
214183988	ZINC000053454972	ref	7.13	-11.32	0	339.848	3.432	0	5	4	Cc1noc(C2CCN(C(=O)CCc3ccc(Cl)s3)CC2)n1
187169035	ZINC000125080502	ref	6.51	-13.0	0	294.445	3.097	1	4	6	CC[C@@H](SC)C(=O)NCCc1nc2ccccc2s1
197591781	ZINC000290091036	ref	5.36	-7.84	0	294.276	3.112	1	3	3	Fc1ccc2c(c1)[C@H](NCc1cc(F)ncc1F)CCO2
187169036	ZINC000125090153	ref	1.44	-12.03	0	291.351	2.237	2	5	6	CC[C@H](O)CCNC(=O)c1cnc2onc(C(C)C)c2c1
197591782	ZINC000290091036	low	6.3	-52.82	1	294.276	3.112	1	2	3	Fc1ccc2c(c1)[C@H]([NH2+]Cc1cc(F)ncc1F)CCO2
187169037	ZINC000125080373	ref	5.83	-46.63	1	290.473	2.218	1	2	9	CCN(CCC[NH2+]CCC1CCCCC1)S(C)(=O)=O
187169038	ZINC000125082099	ref	2.64	-8.35	0	254.355	1.822	1	4	4	C[C@@H](C(=O)NCc1cscn1)C1CCOCC1
187169039	ZINC000125084017	ref	8.02	-12.1	0	299.374	2.357	0	4	1	Cn1cnc2cc(C(=O)N3CCO[C@H]4CCCC[C@H]43)ccc21
282122171	ZINC000533467815	ref	4.04	-10.9	0	260.341	1.864	2	4	2	Cc1nc(N2CCC[C@H]([C@H](C)O)C2)c2cc[nH]c2n1
342594987	ZINC000590773577	ref	6.82	-14.48	0	297.326	1.454	1	4	9	CCOC(=O)COCCNC(=O)CCc1ccccc1F
187169040	ZINC000125082297	ref	9.19	-42.0	1	294.826	3.061	1	1	2	Cc1ccc(Cl)cc1C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C
342594988	ZINC000590773685	ref	4.62	-16.19	0	297.332	1.804	1	6	7	CCOC(=O)COCCNC(=O)c1cc2occc2s1
187169041	ZINC000125082297	mid	9.62	-41.3	1	294.826	3.061	1	1	2	Cc1ccc(Cl)cc1C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C
187169042	ZINC000125082297	high	7.27	-6.12	0	294.826	3.061	0	2	2	Cc1ccc(Cl)cc1C(=O)N(C)[C@H]1CCN(C)C[C@@H]1C
187169043	ZINC000125084762	ref	6.22	-12.37	0	299.802	2.387	1	3	4	C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)[C@H]1CCCO1
187169044	ZINC000125084689	ref	7.13	-12.29	0	265.378	2.872	1	3	5	C[C@H](CC(=O)c1cccs1)NC(=O)[C@@H]1CC1(C)C
342594989	ZINC000590773720	ref	6.6	-15.23	0	295.31	1.161	1	4	7	CCOC(=O)COCCNC(=O)[C@H]1Cc2ccc(F)cc21
342594990	ZINC000590772969	ref	6.72	-11.65	0	287.319	1.367	0	5	2	CC(C)(C)OC(=O)C1CN(C(=O)c2cccc(C#N)n2)C1
349534495	ZINC000621490584	ref	6.85	-10.73	0	284.359	3.102	2	2	5	C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccccc1
349534496	ZINC000621231439	ref	6.64	-11.42	0	294.37	2.477	1	2	6	CCC(=O)N[C@H](C)C(=O)N(Cc1ccccc1F)C(C)C
398248306	ZINC000650870312	ref	6.17	-15.56	0	273.336	1.747	1	4	5	CCC[C@H](C)C(=O)NCc1cc(=O)n2ccccc2n1
349534498	ZINC000621234940	ref	6.85	-10.26	0	280.368	2.271	0	4	7	CC(C)CCO[C@@H]1CCN(C(=O)CCc2ccon2)C1
349534499	ZINC000621231440	ref	6.53	-11.07	0	294.37	2.477	1	2	6	CCC(=O)N[C@@H](C)C(=O)N(Cc1ccccc1F)C(C)C
349534501	ZINC000621234441	ref	7.49	-12.26	0	269.385	2.243	0	3	9	C=CCCOCC(=O)N1CC[C@@H](OCCC(C)C)C1
342078101	ZINC000625289180	ref	2.54	-9.37	0	259.371	1.584	1	3	4	CC1(C)C[C@H](S(=O)(=O)NCC2=CCCC2)CO1
398248313	ZINC000650869837	ref	4.61	-11.5	0	292.383	1.549	1	4	3	Cn1nccc1[C@H]1COCCN1C(=O)NC[C@H]1CC1(C)C
342078102	ZINC000077820319	ref	1.47	-6.41	0	282.727	1.31	3	3	3	O=C(NCC1(O)CCC1)C(=O)Nc1ccc(Cl)cc1
398248316	ZINC000650870558	ref	3.31	-8.51	0	256.346	1.233	1	3	4	CCN(C(=O)NCC1(C)COC1)[C@H]1CCCOC1
349534502	ZINC000621231162	ref	3.13	-8.65	0	261.247	2.185	1	3	4	CC(C)(CNC(=O)c1cnccn1)CC(F)(F)F
398248320	ZINC000650870656	ref	3.73	-8.09	0	270.373	1.622	1	3	3	CC[C@@H]1COC(C)(C)CN1C(=O)NCC1(C)COC1
349534504	ZINC000621239900	ref	3.66	-9.51	0	295.383	2.335	2	3	7	CCCCN(C(=O)[C@@H](C)NC(N)=O)[C@@H](C)c1ccc(C)o1
342078103	ZINC000625288866	ref	2.96	-8.16	0	261.387	1.662	1	3	5	CC[C@H](NS(=O)(=O)[C@@H]1COC(C)(C)C1)C1CC1
342078104	ZINC000621356246	ref	2.6	-15.09	0	291.376	1.179	1	5	3	Cn1cc(CN[C@@H]2CS(=O)(=O)Cc3ccccc32)cn1
398248324	ZINC000650870645	ref	3.44	-9.73	0	282.384	1.527	2	3	5	CC1(CNC(=O)N[C@@H](C2CCOCC2)C2CC2)COC1
398248328	ZINC000650869692	ref	1.64	-10.59	0	286.351	1.545	3	4	7	CC(C)n1cc([C@@H](C)NC(=O)N[C@@H](CO)CCF)cn1
398248333	ZINC000650870541	ref	3.93	-9.4	0	270.373	1.622	1	3	4	CC(C)O[C@@H]1CCCN(C(=O)NCC2(C)COC2)C1
136229123	ZINC000184910324	ref	4.87	-17.07	0	234.23	1.73	0	4	3	C=CCn1cnc(=O)c2cc(OC)c(F)cc21
398248338	ZINC000650870720	ref	3.39	-8.04	0	270.373	1.527	2	3	7	C[C@H](COCC1CC1)NC(=O)NC[C@@]1(C)CCOC1
349534507	ZINC000621229721	ref	3.8	-9.63	0	293.289	2.405	1	4	6	Cc1noc(CCC(=O)NCC(C)(C)CC(F)(F)F)n1
342078105	ZINC000621356246	low	3.77	-58.86	1	291.376	1.179	1	4	3	Cn1cc(C[NH2+][C@@H]2CS(=O)(=O)Cc3ccccc32)cn1
349534509	ZINC000621234354	ref	7.78	-12.7	0	269.385	2.075	0	3	7	CCO[C@H]1C[C@H]1C(=O)N1CC[C@@H](OCCC(C)C)C1
398248342	ZINC000650869977	ref	9.55	-18.11	0	291.399	1.746	1	4	4	CC1(C)C[C@H]1CNC(=O)N1CCC(Cn2cnnc2)CC1
365633012	ZINC000641600122	ref	0.52	-13.75	0	258.343	1.688	1	4	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)C1CC1
365633019	ZINC000641596272	ref	3.84	-11.77	0	266.366	1.814	1	3	7	O=S(=O)(CCC1CC1)NC/C=C\c1cccnc1
178300581	ZINC000359820571	ref	3.31	-12.46	0	227.271	2.207	3	3	3	Cc1cc2n[nH]cc2cc1NCc1ncc[nH]1
365633027	ZINC000641596351	ref	5.46	-14.16	0	275.348	1.746	1	3	4	CC[C@H](Oc1cccc(C)c1)C(=O)N1C[C@@H]2C[C@]2(O)C1
365633034	ZINC000641600162	ref	0.34	-12.57	0	287.385	1.537	1	4	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)N1CCCC1
178300585	ZINC000359820571	low	4.14	-42.14	1	227.271	2.207	3	2	3	Cc1cc2n[nH]cc2cc1NCc1[nH]cc[nH+]1
365633038	ZINC000641596329	ref	1.52	-11.77	0	270.354	1.051	1	4	8	CCOCCS(=O)(=O)NC/C=C\c1cccnc1
349534497	ZINC000621492460	ref	7.62	-12.25	0	298.333	3.214	1	2	4	O=C(NCC[C@H]1CC1(F)F)N1CCC(c2ccco2)CC1
365633044	ZINC000641596299	ref	4.62	-11.93	0	295.408	1.661	1	3	8	CCN(CC1CC1)S(=O)(=O)NC/C=C/c1cccnc1
365633051	ZINC000641600086	ref	-1.74	-46.31	-1	290.367	1.762	1	5	6	CCC(C)(C)c1n[n-]c(=NC[C@H](CO)c2cccnc2)o1
365633056	ZINC000641600585	ref	2.55	-8.67	0	285.351	1.278	1	5	5	CN(C)c1ccccc1CN(C)c1nccnc1C(N)=O
365633069	ZINC000641596588	ref	1.59	-16.07	0	270.354	1.051	1	4	8	COCCCS(=O)(=O)NC/C=C/c1cccnc1
365633075	ZINC000641600427	ref	5.36	-12.74	0	277.343	1.702	1	3	2	CC(=O)N1C[C@H]2[C@@H](Nc3ccncc3F)CCC[C@H]2C1
365633079	ZINC000641600427	low	5.91	-41.47	1	277.343	1.702	1	2	2	CC(=O)N1C[C@H]2[C@@H](Nc3cc[nH+]cc3F)CCC[C@H]2C1
365633085	ZINC000641596350	ref	5.42	-14.11	0	275.348	1.746	1	3	4	CC[C@H](Oc1cccc(C)c1)C(=O)N1C[C@H]2C[C@@]2(O)C1
365633089	ZINC000641598953	ref	7.67	-13.88	0	283.335	1.01	0	6	2	Cn1cnc2c(c1=O)CCN(c1cc(C3CC3)ncn1)C2
365633098	ZINC000479878180	ref	6.51	-54.0	1	266.385	1.259	1	2	3	C[C@H]1CCCC[C@@H]1OCC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
365633109	ZINC000641596237	ref	3.05	-12.02	0	269.37	1.271	1	3	7	CCN(CC)S(=O)(=O)NC/C=C/c1cccnc1
365633117	ZINC000641600659	ref	6.37	-10.89	0	275.331	1.993	1	5	5	Cn1nccc1-c1ccc(NCCC2(F)CCC2)nn1
178300589	ZINC000045955654	ref	4.1	-10.49	0	227.227	0.788	1	5	1	Cc1cc2n[nH]c(=O)n2c(-c2cccnc2)n1
365633123	ZINC000641600080	ref	1.31	-8.97	0	260.219	1.328	2	4	3	NC(=O)c1nccnc1NC1CC(C(F)(F)F)C1
365633131	ZINC000641596376	ref	2.13	-12.89	0	284.381	1.297	1	4	8	COC[C@@H](C)CS(=O)(=O)NC/C=C\c1cccnc1
214183991	ZINC000053461013	ref	10.67	-14.1	0	345.345	3.423	0	3	3	O=C(Oc1ccccc1F)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
282122172	ZINC000151651829	ref	6.52	-23.87	0	323.458	2.39	0	3	4	CC(C)S(=O)(=O)CC(=O)N1CCC(C)(c2ccccc2)CC1
282122186	ZINC000151661201	ref	1.64	-10.73	0	309.41	2.449	1	5	9	COCCC1(CNC(=O)CCc2nnc(C(C)C)o2)CCC1
282122197	ZINC000151646957	ref	4.22	-14.23	0	306.406	2.065	2	3	7	CCC(=O)N[C@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1
342594991	ZINC000590773695	ref	5.14	-17.36	0	269.297	1.079	1	5	8	CCOC(=O)COCCNC(=O)[C@H](C)c1ccco1
187169048	ZINC000125091218	ref	4.21	-21.92	0	288.347	1.41	1	3	3	O=C1CCCN1c1cccc(C(=O)N2CCC[C@H]2CO)c1
187169049	ZINC000125080436	ref	3.09	-6.87	0	262.231	1.948	2	2	3	C[C@@H](CO)N(C)C(=O)Nc1ccc(F)c(F)c1F
187169050	ZINC000125079773	ref	6.39	-11.89	0	288.372	2.959	1	4	5	COc1ccccc1C(=O)NCc1nc(C2CC2)cs1
187169051	ZINC000125087371	ref	3.14	-10.68	0	284.337	1.146	2	5	6	COC(=O)CCCCNC(=O)C(=O)Nc1ccsc1
365633014	ZINC000576591270	ref	10.39	-36.42	1	243.394	3.957	1	0	3	C[C@@H]1[C@H]([NH2+][C@H]2CCC2(C)C)C[C@H]1c1ccccc1
187169052	ZINC000125080558	ref	5.04	-9.69	0	284.4	2.012	1	3	5	C[C@@H](NC(=O)N(C)CCC1CCOCC1)[C@@H]1CCCO1
342594992	ZINC000590773158	ref	6.5	-10.93	0	293.367	1.396	0	5	3	CCc1c(C(=O)N2CC(C(=O)OC(C)(C)C)C2)cnn1C
214183997	ZINC000053455142	ref	4.34	-20.75	0	343.309	2.15	0	6	2	Cc1noc(C2CCN(C(=O)c3cn(C)nc3C(F)(F)F)CC2)n1
365633022	ZINC000576588665	ref	4.01	-14.45	0	216.244	1.012	1	4	2	O=C(NC1CCC1)c1cnc2cccnn12
342594993	ZINC000590772950	ref	1.57	-15.35	0	290.319	1.045	2	5	4	CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc(O)cc(C#N)c1
299072163	ZINC000459275538	ref	4.93	-10.53	0	304.381	2.613	2	2	4	CC[C@H]1[C@H](CO)CCN1C(=O)NC1CCC(C(F)F)CC1
365633033	ZINC000576591181	ref	7.81	-30.55	0	234.299	1.939	1	3	6	CC[N@H+](CC1CC1)[C@@H](C(=O)[O-])c1cccnc1
299072167	ZINC000459275305	ref	4.27	-10.14	0	306.362	2.537	2	4	3	COC1CCC(NC(=O)Nc2cccc3c2OCCO3)CC1
365633040	ZINC000576591181	mid	7.88	-29.12	0	234.299	1.939	1	3	6	CC[N@@H+](CC1CC1)[C@@H](C(=O)[O-])c1cccnc1
187169055	ZINC000125083983	ref	7.07	-12.89	0	288.351	2.135	1	4	5	COc1ccccc1CCN(C)C(=O)Nc1ccnn1C
365633049	ZINC000576587260	ref	-2.09	-49.95	-1	242.231	-0.041	1	7	3	C[C@@H](O)[C@H]1CN(c2nc(C(=O)[O-])co2)CCO1
282122206	ZINC000151646957	mid	6.48	-48.33	1	306.406	2.065	2	3	7	CCC(=O)N[C@H]1CCC[N@@H+](CCOc2cccc(OC)c2)C1
365633017	ZINC000354702889	ref	4.27	-15.48	0	297.309	1.429	1	5	5	Cc1nn(CC(F)F)c(C)c1C(=O)NCc1cnn(C)c1
185087553	ZINC000096072071	mid	3.77	-8.15	0	279.384	1.736	1	4	5	COCC[C@@H]1CO[C@]2(CCN(Cc3[nH]cnc3C)C2)C1
365633024	ZINC000354701993	ref	4.59	-47.33	1	280.412	1.53	3	2	4	O=C1C[C@]2(CCC[N@@H+](C[C@@H](O)CC3CCCC3)C2)CN1
185087555	ZINC000096070885	ref	7.16	-50.75	1	261.369	1.819	2	1	3	CC(C)C[N@@H+]1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1
185087556	ZINC000096070885	mid	7.2	-51.3	1	261.369	1.819	2	1	3	CC(C)C[N@H+]1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1
365633028	ZINC000354701993	mid	4.6	-45.46	1	280.412	1.53	3	2	4	O=C1C[C@]2(CCC[N@H+](C[C@@H](O)CC3CCCC3)C2)CN1
185087559	ZINC000096071406	ref	7.62	-39.55	1	288.391	2.396	1	2	2	COc1ccc(C(=O)N2CCC[C@@]3(CCC[N@@H+]3C)C2)cc1
185087561	ZINC000096071406	mid	7.38	-39.06	1	288.391	2.396	1	2	2	COc1ccc(C(=O)N2CCC[C@@]3(CCC[N@H+]3C)C2)cc1
342078106	ZINC000625287903	ref	1.44	-42.07	-1	278.337	1.828	2	5	4	CC[C@H](NC(=O)c1cc(=O)[nH]cn1)c1nc(C)cs1
185087563	ZINC000096072022	ref	9.46	-38.87	1	277.383	3.463	1	1	3	CC(C)[C@H]1CO[C@]2(CC[N@H+](Cc3cccc(F)c3)C2)C1
342078107	ZINC000625287903	high	1.44	-42.07	-1	278.337	1.828	1	5	4	CC[C@H](NC(=O)c1cc(=O)[n-]cn1)c1nc(C)cs1
342078108	ZINC000625287844	ref	4.34	-9.95	0	273.398	1.831	1	3	8	CCO[C@H](CS(=O)(=O)NCC1=CCCC1)C1CC1
342078109	ZINC000625287651	ref	6.27	-17.13	0	282.384	1.176	1	3	6	CCO[C@@H](C(=O)NCC1CCN(C(C)=O)CC1)C1CC1
342078110	ZINC000625288678	ref	5.22	-14.83	0	284.266	1.893	1	5	4	Cc1cc(C(F)F)oc1C(=O)NCc1nnc(C)n1C
185087565	ZINC000096072022	mid	9.53	-39.47	1	277.383	3.463	1	1	3	CC(C)[C@H]1CO[C@]2(CC[N@@H+](Cc3cccc(F)c3)C2)C1
365633032	ZINC000354703643	ref	0.63	-10.75	0	282.344	1.197	2	5	4	COc1nn(C)cc1NC(=O)N(C)CC1(O)CCCC1
342078111	ZINC000625287094	ref	3.49	-33.27	1	264.373	1.862	1	4	3	C[C@H]1[C@H](C)[N@H+](C)CCN1Cc1noc(C2CCC2)n1
365633037	ZINC000354702770	ref	4.9	-15.2	0	281.308	1.104	0	5	5	COC[C@@H]1CCN(C(=O)c2ccoc2CC(=O)OC)C1
342078112	ZINC000625287094	mid	3.9	-32.26	1	264.373	1.862	1	4	3	C[C@H]1[C@H](C)[N@@H+](C)CCN1Cc1noc(C2CCC2)n1
185087567	ZINC000096072022	high	7.07	-3.66	0	277.383	3.463	0	2	3	CC(C)[C@H]1CO[C@]2(CCN(Cc3cccc(F)c3)C2)C1
136229124	ZINC000232473385	ref	7.25	-127.5	2	230.355	1.885	2	0	3	c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2
349534500	ZINC000621493588	ref	9.09	-11.09	0	296.361	3.49	1	1	5	Cc1ccc(CN(C)C(=O)NCC[C@H]2CC2(F)F)cc1C
197591792	ZINC000290089418	ref	4.07	-9.77	0	294.405	2.235	1	6	6	O=C(NCCCc1nccs1)c1snnc1C1CC1
342594994	ZINC000590772950	mid	2.33	-37.74	-1	290.319	1.045	1	5	4	CO[C@@H]1COCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1
398248307	ZINC000457192841	ref	7.24	-10.08	0	233.302	2.829	1	1	4	C[C@H](CC(C)(C)C)NC(=O)[C@H]1C[C@@H]1C(F)F
342594995	ZINC000590773106	ref	7.32	-11.68	0	269.341	1.379	0	4	6	C=CCCOCC(=O)N1CC(C(=O)OC(C)(C)C)C1
342594996	ZINC000590772968	ref	7.65	-11.36	0	278.352	1.747	0	4	2	Cc1c(C(=O)N2CC(C(=O)OC(C)(C)C)C2)ccn1C
342594997	ZINC000590772957	ref	1.21	-13.75	0	290.319	1.045	2	5	4	CO[C@@H]1COCC[C@H]1CNC(=O)c1cc(O)cc(C#N)c1
214183995	ZINC000278484347	low	9.8	-37.23	1	311.447	2.602	1	4	10	COCCSCCC[N@@H+](C)[C@@H](C(=O)OC)c1ccccc1
214184001	ZINC000278483088	ref	6.58	-6.88	0	300.377	3.491	0	3	3	Cc1nc(F)ccc1CN1C[C@H](c2ccccc2)OC[C@H]1C
349534503	ZINC000621492571	ref	7.75	-13.21	0	298.308	3.327	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CC[C@@H]1c1ccc(F)cc1
214184003	ZINC000278483088	low	8.52	-44.17	1	300.377	3.491	1	2	3	Cc1nc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)OC[C@H]1C
214184007	ZINC000278483088	low	8.98	-45.47	1	300.377	3.491	1	2	3	Cc1nc(F)ccc1C[N@@H+]1C[C@H](c2ccccc2)OC[C@H]1C
214184010	ZINC000278482773	ref	2.59	-16.76	0	319.312	2.778	2	5	3	C[C@@H](NC(=O)Nc1cnn(C)c1)c1nc(C(F)(F)F)cs1
214184014	ZINC000278483294	ref	7.28	-42.47	1	319.449	2.825	3	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)c1cccc(O)c1
214184017	ZINC000278483294	high	4.89	-11.11	0	319.449	2.825	2	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)c1cccc(O)c1
214184021	ZINC000278484074	ref	10.27	-17.44	0	320.396	3.056	0	4	2	Cc1ccc([C@@H]2C[C@H](C)N(C(=O)c3nccn4ccnc34)C2)cc1
214184025	ZINC000278483357	ref	1.12	-46.97	1	301.184	1.475	2	3	5	OCC[C@]1([NH2+]Cc2cncc(Br)c2)CCOC1
214184027	ZINC000278483357	high	0.13	-5.64	0	301.184	1.475	2	4	5	OCC[C@]1(NCc2cncc(Br)c2)CCOC1
214184030	ZINC000278483652	ref	4.96	-10.57	0	307.39	2.381	1	4	6	COc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C(C)C)cc1OC
214184033	ZINC000278482870	ref	5.76	-10.02	0	319.796	1.867	1	5	3	Cn1nccc1N1CCC[C@H](NC(=O)c2cccc(Cl)n2)C1
214184034	ZINC000278483404	ref	6.91	-10.84	0	310.346	2.404	0	6	7	COC(=O)c1ccc(OCCO[C@H]2CCCCO2)c(OC)c1
214184035	ZINC000278483521	ref	6.14	-50.69	1	303.41	1.881	2	5	6	COCCC[NH+]1CCC(Nc2ccnc3c2cnn3C)CC1
214183999	ZINC000053456630	ref	8.92	-14.13	0	342.399	3.304	1	5	4	C[C@H]1CCC[C@@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1
282122174	ZINC000533467815	low	3.97	-26.76	1	260.341	1.864	2	3	2	Cc1nc2[nH]ccc2c(N2CCC[C@H]([C@H](C)O)C2)[nH+]1
214184006	ZINC000053460837	ref	10.68	-11.9	0	345.345	3.423	0	3	3	O=C(Oc1cccc(F)c1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
214184011	ZINC000053454181	ref	9.32	-18.82	0	349.394	2.237	1	6	6	O=C(COc1ccc(-n2cnnn2)cc1)NC1(c2ccccc2)CCC1
214184016	ZINC000053457956	ref	7.73	-20.96	0	325.343	2.928	1	3	4	CC(=O)Nc1ccc(F)c(C(=O)N(C)Cc2ccc(C#N)cc2)c1
214184019	ZINC000053454742	ref	6.77	-11.88	0	349.818	3.207	0	5	5	Cc1noc(C2CCN(C(=O)CCOc3ccc(Cl)cc3)CC2)n1
214184023	ZINC000053463782	ref	8.39	-7.55	0	329.318	3.306	1	3	4	CC(=O)N[C@@H](C(=O)Oc1cccc(C(F)(F)F)c1)C1CCCC1
214184028	ZINC000053459845	ref	5.73	-18.14	0	346.818	1.847	2	4	6	CNC(=O)c1cccc(CNC(=O)CN(C)c2ccc(Cl)cn2)c1
365633026	ZINC000336550081	ref	1.53	-15.75	0	277.324	2.131	2	3	3	COC1(C)CN(C(=O)Nc2ccc(C)c(C(N)=O)c2)C1
136229125	ZINC000232473385	mid	6.15	-35.3	1	230.355	1.885	2	1	3	c1ccc2c(c1)CC[C@@H](NC[C@@H]1CCC[NH2+]1)C2
178300586	ZINC000237172929	high	2.64	-11.43	0	369.893	1.535	2	5	10	COCCNCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1
178300588	ZINC000237170474	ref	5.8	-47.91	-1	363.151	1.893	1	4	5	COc1ccc(C(=O)N[C@H](C)CC(=O)[O-])c(I)c1
214184032	ZINC000053448164	ref	8.53	-13.73	0	325.412	2.815	0	4	3	Cc1noc(C2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)n1
214184039	ZINC000053456628	ref	9.33	-13.42	0	342.399	3.304	1	5	4	C[C@H]1CCC[C@H](NC(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1
214184041	ZINC000053452879	ref	7.07	-13.97	0	347.509	3.186	1	5	6	Cc1csc(SCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)n1
178300590	ZINC000237155246	ref	3.96	-53.42	1	351.472	1.199	2	3	6	C[NH2+]C1CCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)CC1
178300594	ZINC000237158869	ref	6.18	-89.65	2	350.551	1.833	3	2	6	CN1CCC(CNC(=O)CCC2CC[NH2+]CC2)([NH+]2CCCCC2)CC1
214184045	ZINC000053454136	ref	7.41	-17.33	0	343.387	1.211	0	7	4	O=C(COc1ccc(-n2cnnn2)cc1)N1CCO[C@H]2CCCC[C@@H]21
178300597	ZINC000237158869	low	8.56	-165.95	3	350.551	1.833	4	1	6	C[NH+]1CCC(CNC(=O)CCC2CC[NH2+]CC2)([NH+]2CCCCC2)CC1
282122180	ZINC000533469636	ref	7.54	-22.46	0	268.386	1.324	0	5	5	CC[C@H](SC)C(=O)N(C)Cc1nnc2n1CCC2
342078113	ZINC000625287094	mid	1.95	-5.6	0	264.373	1.862	0	5	3	C[C@H]1[C@H](C)N(Cc2noc(C3CCC3)n2)CCN1C
343994950	ZINC000625564232	ref	0.52	-35.77	1	215.293	0.318	2	3	7	C=C[C@H](CO)[NH2+]CCOC1CCOCC1
342078114	ZINC000077820318	ref	1.47	-7.68	0	282.727	1.31	3	3	3	O=C(NCC1(O)CCC1)C(=O)Nc1cccc(Cl)c1
342078115	ZINC000617964040	ref	4.33	-8.82	0	255.358	1.875	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](C)[C@H]2CCCO2)C1
342078116	ZINC000625288074	ref	4.87	-10.34	0	290.392	1.847	1	5	6	CN(C)C(=O)C[C@H](NCc1cnns1)c1ccccc1
187169056	ZINC000125079642	ref	1.6	-9.2	0	295.389	2.381	1	6	4	O=C(NCc1cscn1)c1csc([C@H]2CCCO2)n1
187169057	ZINC000125081249	ref	8.45	-6.64	0	284.359	2.074	0	3	4	CN(CCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)c1ccccc1
349534505	ZINC000621494187	ref	4.99	-16.15	0	298.346	3.285	1	4	4	CC[C@@H]1CCN1C(=O)Nc1ccc(Oc2cccnn2)cc1
349534508	ZINC000621491220	ref	6.47	-9.55	0	294.37	3.02	1	2	3	COc1ccc(F)c(CNC(=O)N2C[C@H](C)[C@H](C)[C@@H]2C)c1
187169058	ZINC000125084392	ref	5.6	-42.04	1	292.404	3.27	1	4	7	COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cncs2)c1
190493404	ZINC000269425071	ref	5.29	-19.59	0	255.27	0.429	0	5	3	COC(=O)C[C@H]1CCCN1C(=O)C1=COCCO1
349534511	ZINC000621494176	ref	8.19	-10.03	0	286.366	3.253	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CC[C@H](C2CCCC2)C1
187169059	ZINC000125084392	high	4.4	-6.82	0	292.404	3.27	1	5	7	COc1cccc(O[C@H](C)CN[C@H](C)c2cncs2)c1
187169060	ZINC000125080033	ref	4.98	-38.57	1	257.736	2.872	2	1	3	OC1CCC([NH2+]Cc2cc(Cl)ccc2F)CC1
398248308	ZINC000182891471	ref	4.37	-19.94	0	247.404	2.086	1	2	8	CCCC(CCC)C(=O)N[C@@H](C)C[S@](C)=O
187169061	ZINC000125080033	high	3.78	-4.62	0	257.736	2.872	2	2	3	OC1CCC(NCc2cc(Cl)ccc2F)CC1
282122175	ZINC000184411878	ref	7.39	-25.73	0	312.337	0.766	2	7	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1nc3ccccn3n1)CC2
342078117	ZINC000625288074	low	5.9	-43.42	1	290.392	1.847	1	4	6	CN(C)C(=O)C[C@H]([NH2+]Cc1cnns1)c1ccccc1
342078118	ZINC000625288448	ref	2.06	-9.34	0	277.43	1.893	2	3	6	CCC(C)(C)CS(=O)(=O)NCC1CCC(O)CC1
342078119	ZINC000031602826	ref	5.54	-14.72	0	287.363	1.489	1	3	4	O=C(NC1CCCC1)[C@@H]1CC(=O)N(Cc2ccccn2)C1
212166675	ZINC000335490110	mid	6.07	-42.06	1	285.218	3.18	2	1	3	Clc1ccc2c(c1Cl)CC[C@@H]2NC[C@H]1CC[NH2+]C1
212166679	ZINC000335490019	ref	4.42	-17.09	0	270.288	2.248	2	3	2	O=C1CC[C@H](C(=O)Nc2ccc3cc[nH]c(=O)c3c2)C1
342078120	ZINC000625289078	ref	2.7	-10.8	0	257.359	1.195	1	4	3	Cc1ncc(S(=O)(=O)N[C@]2(C)CC2(C)C)n1C
398248310	ZINC000182900185	ref	4.9	-6.49	0	236.315	1.751	0	3	5	CCc1cnccc1C(=O)N(C)[C@@H](C)COC
398248318	ZINC000380255804	ref	-0.18	-53.8	-1	237.277	-0.585	1	5	5	CCS(=O)(=O)N[C@@H](C(=O)[O-])[C@@H]1CCOC1
365633030	ZINC000336550405	ref	6.41	-12.99	0	288.372	2.279	0	4	3	COc1ccnc(CC(=O)N2CCc3sccc3C2)c1
398248321	ZINC000182892373	ref	5.54	-7.17	0	242.322	3.916	1	3	4	C[C@@H](Nc1ccc2nc(C3CC3)oc2c1)C1CC1
178300593	ZINC000073636043	ref	4.7	-8.83	0	224.263	3.507	0	3	1	Cc1cc2nc(-c3cccnc3)oc2cc1C
398248326	ZINC000361804302	ref	8.34	-37.25	1	247.382	3.243	1	1	5	CO[C@@H](C[NH2+][C@@H]1CCc2ccc(C)cc21)C(C)C
178300598	ZINC000057346334	ref	6.4	-6.29	0	219.248	0.548	2	5	3	Cc1cc2n[nH]c(=O)n2c(NCC2CC2)n1
398248330	ZINC000182895925	ref	3.11	-10.94	0	219.35	1.306	1	2	4	C[C@@H](C[S@@](C)=O)NC(=O)CC(C)(C)C
178300604	ZINC000019733981	ref	6.13	-9.77	0	237.306	3.429	2	2	1	Cc1cc2nc(-c3ccc(N)cc3)[nH]c2cc1C
365633039	ZINC000336550087	ref	1.77	-12.4	0	294.33	2.239	2	3	3	C[C@H](NC(=O)N1CC[C@](C)(C(N)=O)C1)c1cncc(F)c1
178300607	ZINC000019733981	low	6.56	-24.0	1	237.306	3.429	2	1	1	Cc1cc2[nH]c(-c3ccc(N)cc3)[nH+]c2cc1C
398248334	ZINC000087536743	ref	7.84	-13.26	0	210.248	2.82	0	2	5	CC[C@H](C)C(=O)COc1ccccc1F
178300611	ZINC000085399914	ref	6.14	-49.99	-1	205.188	2.381	0	3	1	Cc1cc2nc(C(=O)[O-])ccc2cc1F
398248337	ZINC000361795801	ref	6.95	-12.7	0	224.214	1.366	1	4	4	FC(F)CNc1cccc(-n2ccnc2)n1
365633045	ZINC000336550676	ref	4.85	-14.98	0	295.77	2.167	2	2	2	CNC(=O)C1CN(C(=O)Nc2c(Cl)ccc(C)c2C)C1
398248346	ZINC000361795801	low	7.5	-32.36	1	224.214	1.366	1	3	4	FC(F)CNc1cccc(-n2cc[nH+]c2)n1
365633054	ZINC000336550325	ref	3.76	-13.29	0	266.707	2.127	0	4	3	Fc1c(Cl)cccc1CN1CC(n2ccnn2)C1
178300622	ZINC000045237516	ref	4.64	-6.62	0	206.314	3.31	1	3	1	Cc1cc2nc(C(C)C)sc2cc1N
178300631	ZINC000045206640	ref	6.69	-51.44	-1	204.229	1.888	0	4	1	Cc1cc2nc(C(=O)[O-])n(C)c2cc1C
398248350	ZINC000182893848	ref	5.06	-7.34	0	230.311	3.916	1	3	4	CC[C@@H](C)Nc1ccc2nc(C3CC3)oc2c1
398248354	ZINC000182891512	ref	4.8	-11.37	0	247.404	2.086	1	2	8	CCCC(CCC)C(=O)N[C@@H](C)C[S@@](C)=O
365633059	ZINC000336550163	ref	6.66	-8.51	0	287.359	2.205	0	3	2	Cc1ccccc1C(=O)N1CCOC[C@H]1[C@@H]1CCCC1=O
398248359	ZINC000361811423	ref	4.9	-9.26	0	207.277	1.558	1	2	4	CN(Cc1cc[nH]n1)C(=O)CC1CCC1
398249429	ZINC000097163154	ref	4.58	-11.42	0	217.228	1.34	1	3	1	O=C(c1cccc2nc[nH]c12)N1CCCO1
187169063	ZINC000125082096	ref	5.49	-5.89	0	298.818	3.181	2	5	7	CNc1c(Cl)ncnc1NCC1(CCOC)CCCC1
187169064	ZINC000125089666	ref	5.72	-5.79	0	298.818	3.181	2	5	8	CCOCCC1(CNc2ncnc(Cl)c2NC)CCC1
295666225	ZINC000424481982	ref	7.6	-48.76	-1	344.477	1.594	1	5	6	CS[C@H]1CCCCN(C(=O)C(=O)NC[C@@H](CC(C)C)C(=O)[O-])C1
342594998	ZINC000590772957	mid	1.97	-36.46	-1	290.319	1.045	1	5	4	CO[C@@H]1COCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1
187169066	ZINC000125085192	ref	0.44	-8.15	0	286.763	1.373	3	6	6	CNc1c(Cl)ncnc1NC[C@]1(CCO)CCOC1
342594999	ZINC000590773570	ref	5.8	-13.6	0	285.365	1.674	1	5	7	CCOC(=O)COCCNC(=O)c1cc(C)sc1C
187169067	ZINC000125087682	ref	8.1	-9.76	0	276.361	3.422	1	4	5	CS[C@@H](C)CC(=O)Nc1cc(-c2ccccc2)on1
187169068	ZINC000125082239	ref	4.97	-10.56	0	298.177	2.875	2	5	5	CNc1c(Cl)ncnc1NCCc1ccc(Cl)nc1
187169069	ZINC000125084564	ref	6.81	-5.23	0	263.772	3.407	1	3	5	CCn1nccc1CN[C@@H](C)c1ccccc1Cl
187169070	ZINC000125084564	mid	7.85	-43.52	1	263.772	3.407	1	2	5	CCn1nccc1C[NH2+][C@@H](C)c1ccccc1Cl
187169071	ZINC000125079680	ref	6.21	-11.98	0	299.411	2.896	2	3	7	CC[C@@H](SC)C(=O)N[C@@H](C)C[C@H](O)c1ccc(F)cc1
187169072	ZINC000125080102	ref	5.91	-8.19	0	277.324	2.265	1	4	5	CC[C@@H]1CCN(CC(=O)Nc2ccccc2[N+](=O)[O-])C1
187169073	ZINC000125080102	mid	8.31	-41.15	1	277.324	2.265	2	3	5	CC[C@@H]1CC[N@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1
187169074	ZINC000125080102	mid	8.3	-41.47	1	277.324	2.265	2	3	5	CC[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2[N+](=O)[O-])C1
187169075	ZINC000125086576	ref	8.05	-9.18	0	263.385	2.391	0	3	4	CC[C@@H]1CCCN(C(=O)CCc2ccnn2C)CC1
187169076	ZINC000125083768	ref	2.66	-10.76	0	251.326	1.894	2	3	6	CC[C@@H](O)CCNC(=O)c1ccc(OC)cc1C
187169077	ZINC000125085696	ref	3.83	-19.96	0	288.351	1.841	2	5	5	CCc1cccc(C)c1NC(=O)Cn1cc([C@H](C)O)nn1
187169078	ZINC000125090403	ref	3.01	-12.03	0	272.688	1.288	2	4	5	C[C@@H](CO)NC(=O)Cc1ccc([N+](=O)[O-])cc1Cl
342595000	ZINC000590773076	ref	6.39	-9.29	0	293.367	1.776	1	4	4	CCCc1cc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)[nH]n1
187169079	ZINC000125088431	ref	4.67	-13.97	0	292.339	2.018	2	5	5	Cc1cc(CNC(=O)N[C@H](C)Cc2c(C)noc2C)on1
342595001	ZINC000590773076	mid	6.45	-10.38	0	293.367	1.776	1	4	4	CCCc1cc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)n[nH]1
187169080	ZINC000125088844	ref	1.42	-13.31	0	296.367	1.684	3	4	9	CCCOc1ccc(NC(=O)N(CCO)CCCO)cc1
185087569	ZINC000096070902	ref	1.14	-16.28	0	298.412	0.278	0	5	4	CCS(=O)(=O)N1CCC2(CN(Cc3nccn3C)C2)C1
185087570	ZINC000096070902	low	1.92	-38.58	1	298.412	0.278	0	4	4	CCS(=O)(=O)N1CCC2(CN(Cc3[nH+]ccn3C)C2)C1
282122179	ZINC000248969564	ref	5.59	-17.36	0	318.373	1.03	1	4	3	C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](C)[C@@H]2CO)C1=O
282122182	ZINC000248970957	ref	2.69	-9.46	0	316.467	1.747	3	4	6	CCO[C@@H]1C[C@](O)(CNC(=O)NC[C@H]2CCCS2)C1(C)C
282122189	ZINC000248970255	ref	4.45	-13.61	0	314.363	1.295	1	5	4	Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@H](C)[C@H]1CO
185087574	ZINC000096070943	ref	6.73	-41.17	0	253.327	0.74	1	5	3	O=C([O-])C[NH+]1CC2(CCN(c3nccs3)C2)C1
185087575	ZINC000096070943	high	3.46	-49.96	-1	253.327	0.74	0	6	3	O=C([O-])CN1CC2(CCN(c3nccs3)C2)C1
342595002	ZINC000590772956	ref	6.17	-9.7	0	279.34	1.317	0	5	3	CCn1nccc1C(=O)N1CC(C(=O)OC(C)(C)C)C1
185091409	ZINC000096081015	ref	7.35	-43.3	1	273.38	1.741	1	2	3	CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2C1
342595003	ZINC000590772816	ref	3.57	-20.76	0	279.361	1.427	0	3	4	C[S@@](=O)c1ccc(C(=O)N(C2CC2)C2COC2)cc1
185091411	ZINC000096081015	mid	7.21	-45.92	1	273.38	1.741	1	2	3	CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2C1
342595004	ZINC000590773108	ref	8.06	-11.88	0	283.368	1.602	0	4	5	C[C@@H](OCC1CC1)C(=O)N1CC(C(=O)OC(C)(C)C)C1
282122194	ZINC000248969575	ref	3.65	-12.3	0	312.41	1.692	0	5	3	CC(C)(C)C[C@@H]1CN(CN2CCO[C@@]3(CCOC3)C2)C(=O)O1
185091415	ZINC000096081134	ref	3.76	-15.55	0	250.323	0.78	1	3	2	O=C1C[C@H]2[C@H](CCN2C(=O)Cc2cccs2)N1
185091416	ZINC000096081185	ref	5.05	-17.69	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1occc1C
185091418	ZINC000096081183	ref	4.5	-16.3	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1occc1C
185091420	ZINC000096080633	ref	2.66	-16.61	0	290.323	-0.347	0	5	4	COCCN1C[C@@H]2CN(C(=O)c3ccnnc3)C[C@@H]2C1=O
282122198	ZINC000248971239	ref	3.52	-36.89	1	306.406	1.152	3	3	7	COCc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1
185091424	ZINC000096081116	ref	4.81	-15.02	0	258.321	1.027	1	2	2	Cc1ccc(CC(=O)N2CC[C@@H]3NC(=O)C[C@H]32)cc1
398248312	ZINC000417648928	ref	1.76	-50.29	1	227.352	1.461	3	1	5	C[C@@H]1CCCC[C@H]1CCNC(=O)NCC[NH3+]
398248314	ZINC000336779482	ref	4.68	-43.03	1	227.348	1.96	1	2	5	C[C@H]1OCC[C@@H]1[NH2+]CCCC1CCOCC1
342595005	ZINC000590773441	ref	4.54	-12.52	0	285.384	1.491	2	4	7	COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC[C@H](C)CCO
365633036	ZINC000617415933	mid	6.68	-46.27	1	281.4	0.989	2	2	3	C[N@H+]1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1
342078121	ZINC000237994016	ref	4.02	-16.21	0	276.336	1.789	2	4	5	O=C(COC[C@H]1CCCO1)Nc1ccc2c(c1)CCN2
342078122	ZINC000237993236	ref	5.0	-51.49	1	298.427	1.611	2	3	8	O=C(COC[C@@H]1CCCO1)NCC[NH2+]C1CCCCCC1
342078123	ZINC000625287792	ref	2.91	-11.63	0	255.343	1.117	1	4	4	Cc1ncc(S(=O)(=O)NCC2=CCCC2)n1C
214184036	ZINC000278484051	ref	4.52	-12.3	0	312.373	2.213	2	5	3	Cn1cc(CNc2ccc3c(c2)C(=O)NC3=O)c(C(C)(C)C)n1
214184038	ZINC000278484051	high	2.71	-49.27	-1	312.373	2.213	1	5	3	Cn1cc(CNc2ccc3c(c2)C(=O)[N-]C3=O)c(C(C)(C)C)n1
214184043	ZINC000278483723	ref	6.52	-41.27	1	312.797	2.258	1	3	2	C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)o1
197591811	ZINC000162790898	ref	5.31	-46.57	1	321.808	3.466	1	4	5	C[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1nc(-c2ccc(Cl)cc2)no1
197591812	ZINC000162790898	mid	4.3	-7.33	0	321.808	3.466	1	5	5	C[C@@H](N[C@H](C)[C@@H]1CCOC1)c1nc(-c2ccc(Cl)cc2)no1
214184047	ZINC000278483723	mid	6.43	-41.71	1	312.797	2.258	1	3	2	C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)c1ccc(Cl)o1
214184048	ZINC000278483723	mid	4.28	-5.21	0	312.797	2.258	0	4	2	C[C@@H]1CN(C2CCOCC2)CCN1C(=O)c1ccc(Cl)o1
214184053	ZINC000278483572	ref	9.74	-54.81	1	306.479	2.351	1	4	5	CCc1cc(N2CCC[C@@H]([NH2+]C[C@@H]3CCSC3)C2)ncn1
214184058	ZINC000278484145	ref	6.15	-8.0	0	323.824	2.49	1	4	3	C[C@H]1COCC[C@@H]1NC(=O)c1cc(Cl)nc(N2CCCC2)c1
214184062	ZINC000278483615	ref	7.91	-12.54	0	321.373	2.496	0	5	5	CN(Cc1ccc2c(c1)OCO2)C(=O)CCC(=O)OC(C)(C)C
214184067	ZINC000278483500	ref	3.22	-19.97	0	323.386	1.496	0	3	2	C[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC[S@]1=O
214184069	ZINC000278483011	ref	6.7	-19.61	0	319.401	3.141	1	4	5	CC1(C)CC[C@@H](C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)O1
214184075	ZINC000278483303	ref	4.25	-51.71	1	319.434	1.339	2	5	5	Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(C(N)=O)cs2)C1
214184078	ZINC000278483303	high	3.04	-12.03	0	319.434	1.339	2	6	5	Cn1nccc1N1CCC[C@H](NCc2cc(C(N)=O)cs2)C1
214184083	ZINC000278483081	ref	10.82	-45.12	1	324.877	3.13	1	2	4	C[N@H+](C[C@@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O
214184087	ZINC000278483081	mid	10.79	-48.03	1	324.877	3.13	1	2	4	C[N@@H+](C[C@@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O
214184090	ZINC000278483081	high	8.81	-10.81	0	324.877	3.13	0	3	4	CN(C[C@@H]1CCSC1)[C@H]1CCN(c2ccccc2Cl)C1=O
187169081	ZINC000125080583	ref	9.76	-70.97	-1	291.347	2.086	0	4	4	Cc1cccc(OCC(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])c1
187169082	ZINC000125090189	ref	4.73	-6.3	0	279.384	2.369	1	5	5	COCc1cc(NCC2(C)COC2)nc(C(C)(C)C)n1
187169083	ZINC000125089552	ref	7.13	-12.79	0	270.332	3.104	1	3	4	Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C)nc2)c1
187169084	ZINC000125084580	ref	-1.26	-18.86	0	254.29	-0.373	2	6	4	C[C@H](O)c1cn(CC(=O)NC2CCOCC2)nn1
187169085	ZINC000125081340	ref	5.99	-39.31	1	292.379	2.374	2	3	6	CC[C@H]1CC[N@H+](CC(=O)Nc2ccc(OC)cc2OC)C1
187169086	ZINC000125081340	mid	6.06	-39.48	1	292.379	2.374	2	3	6	CC[C@H]1CC[N@@H+](CC(=O)Nc2ccc(OC)cc2OC)C1
187169087	ZINC000125081340	mid	3.22	-6.89	0	292.379	2.374	1	4	6	CC[C@H]1CCN(CC(=O)Nc2ccc(OC)cc2OC)C1
187169088	ZINC000125080527	ref	6.62	-8.04	0	268.295	2.631	1	4	4	N#Cc1cnc(NCC2(c3ccccc3F)CC2)cn1
187169089	ZINC000125082486	ref	4.55	-45.0	1	261.369	2.191	1	2	6	CC(C)CCN(C(=O)c1ccnc(C[NH3+])c1)C1CC1
187169090	ZINC000125082486	mid	4.49	-8.3	0	261.369	2.191	1	3	6	CC(C)CCN(C(=O)c1ccnc(CN)c1)C1CC1
187169091	ZINC000125089403	ref	0.12	-12.56	0	263.297	1.422	2	5	5	CC[C@@H](O)CCNC(=O)c1cnc2onc(C)c2c1
187169092	ZINC000125087421	ref	6.23	-10.55	0	291.395	2.465	1	3	4	O=C(CC[C@@H]1CCCCO1)N1CCC(c2cc[nH]n2)CC1
187169093	ZINC000125080832	ref	5.44	-10.18	0	292.408	2.383	1	4	5	Cc1nc(CN(C)C(=O)CCc2c(C)n[nH]c2C)cs1
187169094	ZINC000125087699	ref	6.52	-41.86	1	290.363	2.474	2	3	4	CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1
187169095	ZINC000125087699	mid	6.4	-41.79	1	290.363	2.474	2	3	4	CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1
136229126	ZINC000184917884	ref	7.44	-9.47	0	247.313	2.534	1	1	5	C#CCC(C)(C)C(=O)NCCc1ccccc1F
187169096	ZINC000125087699	high	3.82	-10.54	0	290.363	2.474	1	4	4	CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1
136229127	ZINC000184908496	ref	6.88	-10.39	0	221.3	2.84	0	2	5	C=C(C)C[C@H](C)C(=O)N(C)Cc1ccco1
178300600	ZINC000237164188	ref	4.16	-52.21	1	350.444	1.253	1	5	5	C[NH2+]C1CCN(S(=O)(=O)c2cnn(-c3ccccc3OC)c2)CC1
187169097	ZINC000125090209	ref	3.27	-14.28	0	290.363	1.178	2	3	4	C[C@@H](CO)NC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1
187169098	ZINC000125084806	ref	6.73	-9.98	0	289.379	2.086	0	4	3	CCn1nccc1/C=C/C(=O)N1CCO[C@@H]2CCCC[C@@H]21
187169099	ZINC000125084234	ref	2.4	-12.28	0	267.333	0.216	1	5	4	COCCN1CCN(C(=O)Nc2ccnn2C)CC1
197591814	ZINC000162788543	ref	1.48	-17.44	0	314.345	2.45	3	4	4	COc1cc(NC(=O)c2ccc(C)nc2C)ccc1NC(N)=O
398248317	ZINC000183534772	ref	2.42	-5.71	0	238.287	1.993	1	4	5	COc1cc(C(=O)NCCC2CCCC2)on1
342595006	ZINC000590773803	ref	2.15	-10.57	0	262.309	1.809	2	4	5	CC[C@@](C)(CNC(=O)c1cc(O)cc(C#N)c1)OC
342595007	ZINC000590773803	mid	2.92	-36.13	-1	262.309	1.809	1	4	5	CC[C@@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)OC
398248323	ZINC000645408180	ref	4.36	-5.99	0	246.376	1.603	2	3	4	CO[C@H](C)[C@@H](C)NC(=O)N[C@H]1CCS[C@H]1C
342595008	ZINC000590773719	ref	6.6	-13.52	0	295.31	1.161	1	4	7	CCOC(=O)COCCNC(=O)[C@@H]1Cc2ccc(F)cc21
214184046	ZINC000293557460	ref	4.74	-19.24	0	359.382	0.782	2	5	2	COC(=O)[C@@H]1C[C@@H](C)CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O
398248327	ZINC000183533184	ref	3.9	-6.69	0	242.363	2.433	2	2	5	CCC[C@H](CC)NC(=O)N[C@H]1CCCOCC1
398248331	ZINC000645409746	ref	-0.17	-53.05	1	240.303	0.284	3	3	6	CC(C)([NH3+])C(=O)NC[C@@H](CO)Cc1ccco1
398248335	ZINC000645409746	high	-0.48	-8.9	0	240.303	0.284	3	4	6	CC(C)(N)C(=O)NC[C@@H](CO)Cc1ccco1
365633041	ZINC000617415933	high	4.32	-13.29	0	281.4	0.989	1	3	3	CN1CCC[C@@H](NC(=O)CN2CCCCCCC2=O)C1
398248339	ZINC000645409457	ref	3.83	-8.25	0	240.347	1.899	2	2	5	CC[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[C@@H]2C1)OC
398248344	ZINC000645408182	ref	3.96	-6.43	0	246.376	1.603	2	3	4	CO[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCS[C@@H]1C
398248347	ZINC000645408513	ref	5.66	-40.39	1	236.359	2.336	1	2	6	COC(C)(C)[C@@H](C)[NH2+]CCc1ccc(C)nc1
342595009	ZINC000616962694	ref	3.64	-21.6	0	288.347	1.65	2	3	5	CC(C)=CCOc1cccc(C(=O)N[C@@H]2CCNC2=O)c1
398248352	ZINC000645409509	ref	3.85	-8.09	0	240.347	1.899	2	2	5	CC[C@H](CNC(=O)N[C@@H]1CCC[C@H]2C[C@H]21)OC
342595010	ZINC000590773690	ref	6.19	-12.89	0	271.357	1.509	1	4	8	CCOC(=O)COCCNC(=O)[C@H](C)C1CCCC1
398248355	ZINC000645408518	ref	5.62	-39.8	1	236.359	2.336	1	2	6	COC(C)(C)[C@H](C)[NH2+]CCc1ccc(C)nc1
398248361	ZINC000645408179	ref	3.63	-7.07	0	246.376	1.603	2	3	4	CO[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCS[C@H]1C
192037549	ZINC000418430085	ref	1.51	-49.54	1	233.331	1.551	3	1	6	CCC([NH3+])(CC)CNC(=O)NC(C)(C)CF
197591819	ZINC000162799058	ref	4.0	-16.19	0	324.45	2.294	2	4	5	CCC(=O)N[C@H]1CCCN(C(=O)N[C@H](CC)c2nccs2)C1
398248366	ZINC000457193508	ref	5.25	-8.97	0	223.263	2.167	1	2	5	C[C@@H](CC(C)(C)C)NC(=O)COC(F)F
398248370	ZINC000645409712	ref	1.63	-41.0	1	222.292	0.034	2	3	3	Cn1nccc1CNC(=O)[C@H]1[NH2+]CC1(C)C
398248373	ZINC000645409712	high	0.1	-9.86	0	222.292	0.034	2	4	3	Cn1nccc1CNC(=O)[C@H]1NCC1(C)C
342078124	ZINC000617964142	ref	3.68	-10.77	0	291.273	1.736	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2c(C(F)(F)F)cnn2C)C1
214184056	ZINC000293564726	ref	1.95	-8.0	0	362.43	0.524	3	6	4	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cccnc1N1CCOCC1
214184059	ZINC000293561328	ref	5.39	-12.1	0	371.393	0.878	1	5	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc2c(c1)C(=O)N(CC1CC1)C2=O
214184064	ZINC000293557613	ref	0.8	-20.62	0	366.393	0.817	4	4	6	CC(C)C(=O)N[C@@H](CO)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1
214184068	ZINC000293559771	ref	5.0	-13.77	0	370.475	0.754	0	7	7	CCOc1ccnc(N2CCN(S(=O)(=O)CC[C@H]3CCOC3)CC2)n1
214184073	ZINC000293559851	ref	8.15	-45.8	1	372.473	0.748	2	6	7	CC[NH+]1CCN(Cc2ccc(NC(=O)CCn3ncn(C)c3=O)cc2)CC1
214184079	ZINC000293559851	mid	8.01	-48.41	1	372.473	0.748	2	6	7	CCN1CC[NH+](Cc2ccc(NC(=O)CCn3ncn(C)c3=O)cc2)CC1
214184081	ZINC000293559851	high	5.76	-17.61	0	372.473	0.748	1	7	7	CCN1CCN(Cc2ccc(NC(=O)CCn3ncn(C)c3=O)cc2)CC1
214184086	ZINC000293566846	ref	8.26	-35.05	0	363.805	0.907	1	6	6	Cn1cnnc1COCC(=O)N[C@H]1CCN(c2ccccc2Cl)C1=O
214184092	ZINC000293564710	ref	1.5	-7.98	0	362.43	0.524	3	6	4	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cccnc1N1CCOCC1
214184097	ZINC000293561948	ref	1.39	-18.56	0	352.347	0.012	1	5	2	CN1C(=O)N[C@]2(CCN(S(=O)(=O)c3ccc(C#N)c(F)c3)C2)C1=O
365633042	ZINC000354702405	ref	8.99	-43.26	1	250.386	1.977	1	1	4	C[C@@H]1C[C@H]1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1
342078125	ZINC000617964049	ref	3.2	-9.59	0	264.329	1.3	1	5	5	CCO[C@@H]1C[C@@H](NC(=O)c2cn(C3CCC3)nn2)C1
365633047	ZINC000354703273	ref	6.99	-18.1	0	299.277	1.86	1	5	7	COCCn1c(NC(=O)COC(F)F)nc2ccccc21
214184104	ZINC000293566416	ref	1.05	-15.43	0	359.386	0.988	1	7	5	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(-c2nnc(N(C)C)o2)cc1
185087578	ZINC000096073318	ref	5.77	-34.8	1	276.38	2.481	1	3	3	COc1ncccc1C[N@@H+]1CCC[C@@]2(C[C@@H](C)CO2)C1
342078126	ZINC000625289080	ref	2.99	-10.94	0	257.359	1.195	1	4	3	Cc1ncc(S(=O)(=O)N[C@@]2(C)CC2(C)C)n1C
214184112	ZINC000293564888	ref	-0.11	-14.97	0	354.428	0.696	3	5	4	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1
342078127	ZINC000625288438	ref	0.02	-6.9	0	273.336	1.698	2	5	7	COc1cncc(CN[C@H](CCO)c2ccccc2)n1
343994952	ZINC000139484020	ref	5.42	-12.39	0	182.288	1.998	0	1	4	CC[S@@](=O)CCc1ccccc1
219047886	ZINC000097681785	ref	8.14	-43.5	1	337.489	2.888	2	4	4	CC(C)c1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)no1
365633043	ZINC000625069135	ref	7.14	-10.71	0	318.425	2.33	1	6	5	CC[C@]1(C)CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CCO1
365633048	ZINC000625067712	ref	4.54	-9.59	0	319.373	2.461	0	3	2	Cc1ccc(S(=O)(=O)N2CCOC(C)(C)[C@H]2C)c(F)c1F
342078128	ZINC000625288438	mid	1.06	-43.87	1	273.336	1.698	2	4	7	COc1cncc(C[NH2+][C@H](CCO)c2ccccc2)n1
342078129	ZINC000237993778	ref	4.94	-51.62	1	298.427	1.611	2	3	8	O=C(COC[C@H]1CCCO1)NCC[NH2+]C1CCCCCC1
342078130	ZINC000625288313	ref	2.81	-51.01	1	290.367	1.079	2	5	8	COc1ccc([C@H](CCO)[NH2+]CCc2cn(C)nn2)cc1
342078131	ZINC000625288313	high	1.55	-14.09	0	290.367	1.079	2	6	8	COc1ccc([C@H](CCO)NCCc2cn(C)nn2)cc1
342078132	ZINC000625287892	ref	2.99	-14.99	0	297.38	1.371	1	4	4	C[C@@H]1CCC[C@@H]1NC(=O)c1ccc([N-]S(C)(=O)=O)nc1
342078133	ZINC000625287892	mid	2.99	-14.99	0	297.38	1.371	2	4	4	C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NS(C)(=O)=O)nc1
398248341	ZINC000390781349	high	1.54	-36.57	1	211.309	-0.053	2	2	1	C[C@@H]1NCCN(C(=O)[C@H]2CCC[NH2+]2)[C@@H]1C
214184051	ZINC000053451133	ref	4.68	-37.84	1	335.437	1.632	3	7	4	Cc1cc(NC(=O)CSc2nc(N)cc(N)[nH+]2)n(C(C)(C)C)n1
214184055	ZINC000053451133	mid	4.2	-15.56	0	335.437	1.632	3	8	4	Cc1cc(NC(=O)CSc2nc(N)cc(N)n2)n(C(C)(C)C)n1
192037551	ZINC000418464706	ref	1.42	-46.78	1	243.351	0.398	3	2	6	CCC[NH2+]CCNC(=O)N1CC(C(C)(C)O)C1
214184057	ZINC000053452233	ref	3.99	-10.9	0	328.463	1.456	1	6	5	Cc1nnc(SCC(=O)N[C@H](C)C(=O)N2CCCCC2)s1
166172810	ZINC000026510777	high	3.1	-6.52	0	182.267	0.795	1	2	6	C=CCN(CC=C)C(=O)[C@H](C)NC
214184065	ZINC000053461056	ref	7.29	-20.14	0	333.779	1.138	1	5	4	Cn1cnnc1CNC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
214184070	ZINC000053448773	ref	7.66	-10.16	0	326.466	2.111	1	5	6	CCCn1c(SCC(=O)N(C)[C@H]2CCCC[C@H]2C)n[nH]c1=O
214184074	ZINC000053455072	ref	6.75	-15.26	0	348.447	2.121	0	5	5	CCC[C@@H](C)N1C[C@H](C(=O)N2CCC(c3nc(C)no3)CC2)CC1=O
214184076	ZINC000053458517	ref	5.64	-15.94	0	331.416	2.022	2	3	5	CC(=O)N[C@@H](C(=O)Nc1ccc(C(=O)N(C)C)cc1)C1CCCC1
214184080	ZINC000053464650	ref	3.44	-14.88	0	341.458	1.575	1	5	5	CNS(=O)(=O)c1cc(C(=O)N(C)Cc2sccc2C)n(C)c1
214184084	ZINC000053462347	ref	2.65	-21.94	0	331.397	2.694	3	4	5	CC(C)C(=O)Nc1cccc(NC(=O)c2cc(C(N)=O)cs2)c1
197591820	ZINC000162797777	ref	4.9	-42.59	1	312.454	1.855	2	3	7	CCCCO[C@@H]1C[C@H](NC(=O)C2(OC)CC[NH2+]CC2)C1(C)C
365633046	ZINC000617424126	ref	4.64	-19.58	0	250.302	0.969	1	5	3	C[C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)c2ncnn21
365633052	ZINC000617415491	ref	5.49	-51.18	1	293.367	0.319	2	4	5	COCCn1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1=O
197591821	ZINC000162789266	ref	7.13	-46.6	-1	303.28	2.607	0	3	4	Cc1cc2c(cc1C)O[C@@H](C(=O)[N-]OCCC(F)(F)F)C2
342595011	ZINC000590772815	ref	3.61	-23.03	0	279.361	1.427	0	3	4	C[S@](=O)c1ccc(C(=O)N(C2CC2)C2COC2)cc1
365633058	ZINC000617415491	mid	4.97	-48.93	1	293.367	0.319	2	4	5	COCCn1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1=O
365633064	ZINC000617415491	high	2.6	-12.07	0	293.367	0.319	1	5	5	COCCn1cc(C(=O)N[C@H]2CCCN(C)C2)ccc1=O
365633073	ZINC000617423390	ref	3.66	-17.24	0	282.344	0.843	1	6	8	COCCCOCCC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365633082	ZINC000617416880	ref	-1.08	-10.74	0	283.372	0.658	4	3	8	C=CCCC1(CNC(=O)[C@H](CO)NC(N)=O)CCCC1
342595012	ZINC000590773694	ref	5.13	-17.02	0	269.297	1.079	1	5	8	CCOC(=O)COCCNC(=O)[C@@H](C)c1ccco1
342595013	ZINC000590773680	ref	5.48	-14.38	0	294.351	1.271	1	5	9	CCOC(=O)COCCNC(=O)C[C@@H](C)c1ccncc1
365633092	ZINC000617423711	ref	3.17	-17.28	0	273.3	0.225	2	7	2	Cc1ncc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c(N)n1
290622379	ZINC000492519950	ref	3.24	-10.59	0	261.321	2.041	1	3	2	C[C@H]1COC[C@@H](C)N1C(=O)/C=C\c1cccc(O)c1
290622382	ZINC000492520034	ref	5.89	-43.74	1	288.391	2.396	3	2	5	CCC[NH+]1CCC(NC(=O)/C=C/c2cccc(O)c2)CC1
290622383	ZINC000492520547	ref	2.71	-10.2	0	274.345	2.487	2	4	4	Cc1ncsc1CNC(=O)/C=C/c1ccc(O)cc1
365633105	ZINC000617422730	ref	5.2	-18.61	0	283.295	0.937	2	6	2	C[C@H]1C[C@@H](NC(=O)c2ncnc3[nH]ccc23)c2ncnn21
342595014	ZINC000590773054	ref	9.04	-16.82	0	293.367	1.463	0	5	5	CC(C)(C)OC(=O)C1CN(C(=O)CCCn2ccnc2)C1
365633116	ZINC000617424132	ref	4.7	-18.59	0	260.301	0.93	1	6	3	CCn1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)n1
342595015	ZINC000590773054	low	9.55	-40.02	1	293.367	1.463	0	4	5	CC(C)(C)OC(=O)C1CN(C(=O)CCCn2cc[nH+]c2)C1
398248343	ZINC000395034850	ref	7.73	-42.45	1	209.72	3.314	1	0	4	C/C=C/C[NH2+]Cc1ccc(Cl)cc1C
365633125	ZINC000617423694	ref	4.89	-17.49	0	299.338	0.794	2	7	3	C[C@@H]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2N)c2ncnn21
342595016	ZINC000590773611	ref	7.71	-13.38	0	297.395	1.921	1	4	8	CCOC(=O)COCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C
187169100	ZINC000125084234	mid	4.63	-49.09	1	267.333	0.216	2	4	4	COCC[NH+]1CCN(C(=O)Nc2ccnn2C)CC1
178300605	ZINC000237159046	ref	5.51	-97.12	2	354.564	1.148	3	3	5	CN1CCC(CNC(=O)C[C@H]2CSCC[NH2+]2)([NH+]2CCCCC2)CC1
187169101	ZINC000125083458	ref	4.1	-8.89	0	292.379	2.37	2	3	5	COc1cc(C)ccc1CNC(=O)N[C@@H](C)[C@H]1CCCO1
187169102	ZINC000125080805	ref	5.02	-9.5	0	284.4	2.012	1	3	5	C[C@H](NC(=O)N(C)CCC1CCOCC1)[C@H]1CCCO1
178300608	ZINC000237159046	low	7.89	-180.45	3	354.564	1.148	4	2	5	C[NH+]1CCC(CNC(=O)C[C@H]2CSCC[NH2+]2)([NH+]2CCCCC2)CC1
187169103	ZINC000125084498	ref	4.39	-26.05	0	290.323	0.019	1	4	4	CCN1CCN(CC(=O)Nc2ccc(C)nc2)C(=O)C1=O
187169104	ZINC000125081968	ref	5.55	-12.57	0	282.413	2.556	2	4	5	CC(C)Cn1cc(NC(=O)NC[C@H]2CCCS2)cn1
187169105	ZINC000125085008	ref	6.73	-7.81	0	274.355	2.22	0	2	4	CC[C@@H]1CN(C(=O)[C@@H]2CC2(C)C)CCN1CC(F)F
187169106	ZINC000125082781	ref	7.3	-8.2	0	264.394	2.809	0	3	4	Cc1cnc(CCN(C)C(=O)[C@H]2CC=CCC2)s1
187169107	ZINC000125081630	ref	3.34	-9.54	0	295.354	2.182	2	3	7	COCCC1(C(=O)NC[C@@H](O)c2cccc(F)c2)CCC1
187169108	ZINC000125080141	ref	6.12	-10.83	0	299.124	1.736	1	4	3	COC(=O)C1(C(=O)Nc2ccc(Br)cn2)CC1
187169109	ZINC000125085592	ref	3.91	-15.23	0	261.281	2.326	2	5	5	CC[C@H](O)CNc1ccnc2c([N+](=O)[O-])cccc12
187169110	ZINC000125084848	ref	6.31	-5.96	0	265.298	2.323	1	7	4	Cc1cnc([C@@H](C)Nc2ncc([N+](=O)[O-])cn2)s1
178300610	ZINC000237159046	high	4.45	-41.87	1	354.564	1.148	3	4	5	CN1CCC(CNC(=O)C[C@H]2CSCCN2)([NH+]2CCCCC2)CC1
282122181	ZINC000449152873	ref	4.3	-38.16	1	255.402	2.332	2	2	5	COCC1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1
187169112	ZINC000125087492	ref	6.21	-10.49	0	287.363	2.894	2	3	5	Cc1ccc([C@@H](C)CNC(=O)NCc2cc(C)no2)cc1
187169113	ZINC000125082333	ref	-0.58	-47.46	1	271.361	-0.226	3	3	8	COCCC1(CNC(=O)CNC(=O)C[NH3+])CCCC1
187169114	ZINC000125082333	mid	-0.99	-9.51	0	271.361	-0.226	3	4	8	COCCC1(CNC(=O)CNC(=O)CN)CCCC1
187169115	ZINC000125089450	ref	5.06	-53.97	1	270.336	1.511	2	2	2	C[C@@H]1C[NH2+]CCN1C(=O)c1cc(-c2ccccc2)n[nH]1
185087582	ZINC000096073318	mid	5.89	-34.63	1	276.38	2.481	1	3	3	COc1ncccc1C[N@H+]1CCC[C@@]2(C[C@@H](C)CO2)C1
187169116	ZINC000125089450	mid	5.2	-47.75	1	270.336	1.511	2	2	2	C[C@@H]1C[NH2+]CCN1C(=O)c1cc(-c2ccccc2)[nH]n1
187169117	ZINC000125089450	mid	3.72	-8.11	0	270.336	1.511	2	3	2	C[C@@H]1CNCCN1C(=O)c1cc(-c2ccccc2)n[nH]1
185087583	ZINC000096073318	mid	3.52	-7.44	0	276.38	2.481	0	4	3	COc1ncccc1CN1CCC[C@@]2(C[C@@H](C)CO2)C1
185087585	ZINC000096073845	ref	8.88	-53.52	1	299.378	1.669	1	5	3	c1cncc(C[N@@H+]2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)c1
185087586	ZINC000096073845	mid	9.19	-52.39	1	299.378	1.669	1	5	3	c1cncc(C[N@H+]2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)c1
185087588	ZINC000096073845	mid	6.43	-12.82	0	299.378	1.669	0	6	3	c1cncc(CN2CCC[C@@]3(C[C@H](n4cnnc4)CO3)C2)c1
185087590	ZINC000096072145	ref	6.27	-8.68	0	283.375	2.558	1	3	3	c1ccc([C@@H]2CO[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)cc1
185087592	ZINC000096072145	mid	8.7	-36.57	1	283.375	2.558	2	2	3	c1ccc([C@@H]2CO[C@@]3(CC[N@@H+](Cc4c[nH]cn4)C3)C2)cc1
185087593	ZINC000096072145	mid	8.77	-36.13	1	283.375	2.558	2	2	3	c1ccc([C@@H]2CO[C@@]3(CC[N@H+](Cc4c[nH]cn4)C3)C2)cc1
185087595	ZINC000096072145	mid	8.67	-42.24	1	283.375	2.558	2	2	3	c1ccc([C@@H]2CO[C@@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cc1
185087597	ZINC000096072145	mid	8.72	-42.14	1	283.375	2.558	2	2	3	c1ccc([C@@H]2CO[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cc1
185087599	ZINC000096072145	high	6.23	-7.38	0	283.375	2.558	1	3	3	c1ccc([C@@H]2CO[C@@]3(CCN(Cc4cnc[nH]4)C3)C2)cc1
185087601	ZINC000096074033	ref	7.78	-18.48	0	272.348	2.052	0	2	1	CC(=O)N1CCC[C@@]2(CCN(c3ccccc3)C2=O)C1
343993750	ZINC000079916323	ref	5.15	-17.5	0	288.225	2.268	1	4	2	C[C@H](C(=O)Nc1ccc2oc(=O)n(C)c2c1)C(F)(F)F
365633050	ZINC000274353922	ref	6.13	-8.08	0	289.383	1.357	1	5	4	CN1CCN(c2cc(NCC3CCCC3)ncn2)CC1=O
185087606	ZINC000096073092	ref	8.52	-32.43	1	265.397	2.447	1	2	5	C1CC1CO[C@@H]1COC2(CC[NH+](CC3CC3)CC2)C1
185087608	ZINC000096072307	ref	3.11	-15.04	0	291.351	0.582	1	5	4	CNC(=O)CO[C@@H]1CO[C@]2(CCN(c3cccnc3)C2)C1
185087611	ZINC000096073513	ref	3.17	-5.63	0	280.343	1.991	0	4	3	CO[C@@H]1CO[C@@]2(CCCN(Cc3ccncc3F)C2)C1
185087613	ZINC000096073513	mid	5.62	-39.05	1	280.343	1.991	1	3	3	CO[C@@H]1CO[C@@]2(CCC[N@H+](Cc3ccncc3F)C2)C1
199273001	ZINC000181264551	ref	3.69	-12.34	0	303.387	2.717	2	4	2	Cc1nc(-c2ccccc2)sc1NC(=O)N1CC[C@H](O)C1
136229128	ZINC000184906888	ref	5.87	-6.92	0	230.311	2.308	1	2	4	C#CCC(C)(C)C(=O)N[C@H](C)c1ccccn1
185087614	ZINC000096073513	mid	5.49	-35.36	1	280.343	1.991	1	3	3	CO[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3ccncc3F)C2)C1
295666226	ZINC000419977927	ref	5.7	-42.61	1	327.494	1.236	2	3	4	CS[C@H]1CCCCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)C1
342595017	ZINC000590772893	ref	4.83	-7.32	0	292.379	1.628	1	4	4	CO[C@@H]1COCC[C@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2
365633053	ZINC000625069729	ref	5.93	-11.83	0	300.402	2.269	2	2	3	C[C@H](C(=O)N[C@]1(C)CCCc2ccccc21)[C@@H]1CCC(=O)N1
282952166	ZINC000416847295	ref	6.01	-87.13	2	338.521	2.702	4	2	9	CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1
178300613	ZINC000237170073	ref	2.66	-48.97	1	355.385	1.331	2	4	8	COc1cc(/C=C/C(=O)NCCN2CC[NH2+]CC2)ccc1OC(F)F
214184066	ZINC000337621370	ref	1.95	-10.1	0	272.37	0.851	1	5	8	Cc1csc(CCC(=O)N(C)CCOCCO)n1
432002725	ZINC000129258458	ref	9.38	-38.07	1	304.438	3.365	1	4	10	CCCC[C@H](COC)[NH2+][C@H](CCC)c1nnc2ccccn12
342595018	ZINC000590772891	ref	4.84	-6.69	0	292.379	1.628	1	4	4	CO[C@@H]1COCC[C@H]1CNC(=O)[C@]1(C#N)CC12CCCC2
432002726	ZINC000129258458	high	8.72	-11.53	0	304.438	3.365	1	5	10	CCCC[C@H](COC)N[C@H](CCC)c1nnc2ccccn12
214184082	ZINC000337620582	ref	1.8	-12.93	0	280.291	0.553	2	6	4	NC(=O)c1ccc(CNc2ncnc3ccncc23)cn1
214184085	ZINC000337624158	ref	2.43	-12.58	0	269.345	0.128	1	5	8	Cc1c(CCC(=O)N(C)CCOCCO)cnn1C
214184089	ZINC000337623074	ref	3.29	-9.06	0	276.308	3.03	2	3	4	O=C(Nc1ccsc1)N[C@@H]1CCC[C@H]1OC(F)F
214184095	ZINC000337622689	ref	0.96	-13.35	0	259.346	0.395	2	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC[C@H](O)C1
214184099	ZINC000337622845	ref	0.05	-15.81	0	298.302	0.549	3	4	5	NC(=O)c1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1
214184103	ZINC000337622023	ref	5.0	-14.6	0	298.268	2.106	0	4	3	CN(Cc1ccnn1C)C(=O)c1ccncc1C(F)(F)F
214184108	ZINC000337622187	ref	4.45	-13.36	0	285.344	0.202	1	4	5	CCOC(=O)CCCNC(=O)N1CC(=O)N(C)[C@@H](C)C1
214184111	ZINC000337622194	ref	2.29	-11.68	0	291.311	0.324	1	5	3	COc1ncncc1NC(=O)N1CCN(C2CC2)C(=O)C1
214184119	ZINC000337621878	ref	6.1	-20.76	0	290.323	0.348	1	6	7	CN(CCOCCO)C(=O)c1ccc(-n2cnnc2)cc1
214184122	ZINC000337620804	ref	5.17	-43.82	1	282.388	0.344	2	2	4	C[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC(=O)N1C
214184127	ZINC000337620886	ref	4.93	-8.83	0	267.398	2.498	1	4	3	CC(C)(C)c1nnc(CNC(=O)[C@@H]2CC2(C)C)s1
214184132	ZINC000337620603	ref	6.65	-6.61	0	282.334	3.481	2	1	5	CC(C)[C@@H](NC(=O)NC1(C(F)F)CC1)c1ccccc1
214184138	ZINC000337622688	ref	0.82	-16.26	0	259.346	0.395	2	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC[C@@H](O)C1
214184139	ZINC000337620483	ref	5.0	-10.49	0	287.285	2.008	2	3	6	O=C(NCCC(F)(F)F)c1ccc(NCC2CC2)nc1
187169118	ZINC000125080966	ref	5.31	-13.4	0	278.352	2.303	1	4	5	Cc1ccc(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)cn1
178300616	ZINC000237162475	ref	5.25	-45.11	1	359.392	1.586	1	3	7	COCC[NH2+]CC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
187169119	ZINC000125091255	ref	4.88	-16.22	0	291.376	1.783	1	4	2	Cc1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cn1
178300618	ZINC000237162475	high	3.91	-10.84	0	359.392	1.586	1	4	7	COCCNCC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
187169120	ZINC000125089488	ref	2.16	-9.22	0	288.347	2.134	2	4	6	CCCOc1nc(C(=O)N[C@@H](C)CO)cc2ccccc12
187169121	ZINC000125083903	ref	4.04	-40.06	1	262.309	2.023	1	4	5	C[N@H+](CCC1OCCO1)Cc1nc2ccccc2o1
187169122	ZINC000125083903	mid	3.78	-40.32	1	262.309	2.023	1	4	5	C[N@@H+](CCC1OCCO1)Cc1nc2ccccc2o1
187169123	ZINC000125083903	mid	1.44	-10.51	0	262.309	2.023	0	5	5	CN(CCC1OCCO1)Cc1nc2ccccc2o1
187169124	ZINC000125089812	ref	7.09	-12.92	0	270.332	3.104	1	3	4	Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C)nc2)c1
365633055	ZINC000354702073	ref	7.09	-17.45	0	298.383	1.235	1	4	6	CC(=O)N1CCCC[C@H]1C(=O)NCCCC(=O)OC(C)C
187169125	ZINC000125091122	ref	9.81	-31.38	0	261.365	3.372	1	2	6	O=C([O-])[C@@H]([NH2+]CCC1CCCCC1)c1ccccc1
187169126	ZINC000125085933	ref	4.08	-5.3	0	264.35	2.159	2	3	3	O=C(NC[C@H]1CC=CCC1)C(=O)Nc1ccsc1
187169127	ZINC000125087184	ref	4.57	-8.71	0	267.394	2.286	2	3	6	CC[C@H](SC)C(=O)NC[C@H](O)c1cccc(C)c1
365633061	ZINC000354703797	ref	7.54	-43.67	1	292.427	1.483	2	4	4	Cn1ccnc1N1CC[NH+](C[C@H](O)C2CCCCC2)CC1
187169128	ZINC000125083711	ref	7.26	-8.73	0	273.307	3.535	1	2	2	Cc1ccc(F)cc1C(=O)N[C@H]1CCCc2occc21
178300621	ZINC000237163716	ref	4.96	-54.94	1	351.472	1.358	1	3	3	C[NH2+]C1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)CC1
178300625	ZINC000237172090	ref	3.48	-40.86	1	351.466	1.72	1	4	7	COc1ccc(F)cc1C[NH2+]C1CCN(CCN2CCOCC2)CC1
178300627	ZINC000237172090	mid	4.63	-40.71	1	351.466	1.72	2	4	7	COc1ccc(F)cc1CNC1CC[NH+](CCN2CCOCC2)CC1
187169129	ZINC000125087039	ref	5.8	-50.12	1	282.771	1.929	1	2	4	C[C@@H]1C[NH2+]CCN1C(=O)CCOc1ccc(Cl)cc1
178305793	ZINC000048258112	ref	5.35	-10.49	0	246.314	2.351	2	4	3	Cc1cc2ncn([C@H](C)C/C(N)=N/O)c2cc1C
187169130	ZINC000125087039	mid	4.46	-6.58	0	282.771	1.929	1	3	4	C[C@@H]1CNCCN1C(=O)CCOc1ccc(Cl)cc1
398248345	ZINC000395034850	high	6.31	-1.76	0	209.72	3.314	1	1	4	C/C=C/CNCc1ccc(Cl)cc1C
398248348	ZINC000650870591	ref	4.17	-44.18	1	271.405	1.3	3	2	8	CC(C)C[N@H+](C)CCCNC(=O)NCC1(C)COC1
398248351	ZINC000650870591	mid	4.15	-44.1	1	271.405	1.3	3	2	8	CC(C)C[N@@H+](C)CCCNC(=O)NCC1(C)COC1
192037553	ZINC000418432355	ref	2.63	-100.04	2	242.367	0.365	4	1	5	C[NH+](C)CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+]
342078134	ZINC000617964132	ref	3.77	-12.99	0	271.748	1.679	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2nn(C)c(C)c2Cl)C1
343994954	ZINC000625564232	high	-0.78	-5.1	0	215.293	0.318	2	4	7	C=C[C@H](CO)NCCOC1CCOCC1
398248357	ZINC000650869126	ref	5.29	-45.37	1	299.459	1.768	3	2	8	CCCC[N@H+](C)CCNC(=O)N1CCC([C@@H](C)CO)CC1
398248362	ZINC000650869126	mid	5.31	-45.43	1	299.459	1.768	3	2	8	CCCC[N@@H+](C)CCNC(=O)N1CCC([C@@H](C)CO)CC1
398248364	ZINC000650869126	high	3.0	-10.76	0	299.459	1.768	2	3	8	CCCCN(C)CCNC(=O)N1CCC([C@@H](C)CO)CC1
398248369	ZINC000650870633	ref	6.07	-21.29	0	297.305	1.289	1	3	3	O=C(NCCn1ccccc1=O)N1CC[C@]2(C1)CC2(F)F
342078135	ZINC000625288436	ref	0.12	-8.55	0	273.336	1.698	2	5	7	COc1cncc(CN[C@@H](CCO)c2ccccc2)n1
342078136	ZINC000625288436	mid	1.06	-45.94	1	273.336	1.698	2	4	7	COc1cncc(C[NH2+][C@@H](CCO)c2ccccc2)n1
342078137	ZINC000617964041	ref	4.32	-9.37	0	255.358	1.875	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](C)[C@@H]2CCCO2)C1
398248374	ZINC000650869270	ref	6.66	-43.05	1	285.432	1.927	2	2	7	CCCC[N@H+](C)CCNC(=O)N1C[C@H](CC)OC[C@H]1C
398248378	ZINC000650869270	mid	6.65	-43.02	1	285.432	1.927	2	2	7	CCCC[N@@H+](C)CCNC(=O)N1C[C@H](CC)OC[C@H]1C
398248381	ZINC000650869270	high	4.34	-7.47	0	285.432	1.927	1	3	7	CCCCN(C)CCNC(=O)N1C[C@H](CC)OC[C@H]1C
398248386	ZINC000650869988	ref	1.48	-10.5	0	270.373	1.263	3	3	5	CC1(C)C[C@@H]1CNC(=O)NCC[C@]1(O)CCCOC1
342078138	ZINC000237988957	ref	4.48	-6.95	0	299.418	1.616	3	1	3	O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1[NH2+]CCc2ccccc21
398248392	ZINC000650869783	ref	4.38	-16.63	0	267.373	1.2	2	2	5	CCN1C[C@@H](CNC(=O)NC[C@H]2CC2(C)C)CC1=O
136229129	ZINC000292802580	ref	4.51	-13.12	0	237.328	1.521	1	3	4	C#CCN(C)C(=O)NC[C@@H](C)c1nccs1
178305795	ZINC000048258112	low	5.83	-35.97	1	246.314	2.351	2	3	3	Cc1cc2[nH+]cn([C@H](C)C/C(N)=N/O)c2cc1C
342078139	ZINC000237988957	mid	6.44	-39.89	1	299.418	1.616	3	2	3	O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1NCCc2ccccc21
342078140	ZINC000237988957	high	4.48	-6.95	0	299.418	1.616	2	3	3	O=C(NC1CCN(C2CC2)CC1)[C@@H]1NCCc2ccccc21
342078141	ZINC000617964039	ref	4.34	-8.97	0	255.358	1.875	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)[C@@H]2CCCO2)C1
219047888	ZINC000350684404	mid	9.27	-43.39	1	295.377	3.159	1	2	4	FC(F)Cn1cc(C[N@H+]2CC3C[C@H]4CC2C[C@@H](C3)C4)cn1
342595019	ZINC000590772890	ref	5.19	-8.78	0	292.379	1.628	1	4	4	CO[C@@H]1COCC[C@@H]1CNC(=O)[C@@]1(C#N)CC12CCCC2
342595020	ZINC000590773440	ref	4.3	-12.85	0	285.384	1.491	2	4	7	COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC[C@H](C)CCO
342595021	ZINC000590773041	ref	5.66	-9.05	0	282.384	1.271	1	3	2	C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C(=O)OC(C)(C)C)C1
342595022	ZINC000590773041	mid	7.89	-35.09	1	282.384	1.271	1	3	2	C[N@H+]1CCCC[C@@H]1C(=O)N1CC(C(=O)OC(C)(C)C)C1
349534506	ZINC000093261400	ref	3.75	-8.87	0	265.313	0.823	1	4	5	CCOCCN(C)C(=O)C(=O)Nc1cncc(C)c1
349534512	ZINC000093260331	ref	3.95	-8.88	0	265.313	0.823	1	4	5	CCOCCN(C)C(=O)C(=O)Nc1cccnc1C
230236146	ZINC000336831416	ref	-2.03	-15.12	0	287.316	-1.17	3	5	7	CCOC[C@@H](O)CNC(=O)CN1C(=O)NC(C)(C)C1=O
214184088	ZINC000053450150	ref	7.72	-52.88	1	330.432	1.826	2	4	7	C[C@@H](C(=O)NCCCC[NH+]1CCOCC1)n1cnc2ccccc21
398248349	ZINC000076848689	ref	3.57	-7.57	0	213.668	1.269	1	3	3	CN(CC1CC1)c1cn[nH]c(=O)c1Cl
349534516	ZINC000093262219	ref	4.51	-46.82	1	295.387	0.679	3	4	4	C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1O
214184091	ZINC000053450150	mid	5.31	-16.72	0	330.432	1.826	1	5	7	C[C@@H](C(=O)NCCCCN1CCOCC1)n1cnc2ccccc21
342595023	ZINC000590773041	mid	5.66	-9.05	0	282.384	1.271	0	4	2	CN1CCCC[C@@H]1C(=O)N1CC(C(=O)OC(C)(C)C)C1
342595024	ZINC000590772936	ref	2.88	-9.45	0	296.323	1.487	0	6	4	CCOc1nc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)co1
343994956	ZINC000139457184	ref	3.96	-44.62	1	168.24	0.707	1	2	2	CCCN1C(=O)C2(CC2)N[C@@H]1C
349534519	ZINC000093262219	high	2.04	-10.8	0	295.387	0.679	2	5	4	C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1O
349534522	ZINC000093275086	ref	-0.3	-15.04	0	282.344	0.911	3	5	3	CC(C)(C)n1cc(NC(=O)NC[C@@]2(O)CCOC2)cn1
398248353	ZINC000076848789	ref	6.36	-6.08	0	219.313	2.538	0	4	3	CN(CC1CC1)c1ncnc2ccsc12
398249430	ZINC000286338729	mid	3.0	-32.3	1	212.318	1.488	2	3	3	C[N@@H+](Cc1nccs1)[C@@H]1CCC[C@H]1O
214184094	ZINC000053454138	ref	7.82	-18.13	0	343.387	1.211	0	7	4	O=C(COc1ccc(-n2cnnn2)cc1)N1CCO[C@H]2CCCC[C@H]21
168365988	ZINC000019419129	ref	-5.46	-9.22	0	152.219	-0.989	2	4	2	C[C@@H](N)S(=O)(=O)[C@@H](C)N
214184098	ZINC000053450967	ref	6.79	-33.75	1	349.435	2.482	2	5	6	CCN(C(=O)CSc1nc(N)cc(N)[nH+]1)[C@@H](C)c1ccc(F)cc1
214184102	ZINC000053450967	mid	6.31	-14.32	0	349.435	2.482	2	6	6	CCN(C(=O)CSc1nc(N)cc(N)n1)[C@@H](C)c1ccc(F)cc1
187169131	ZINC000125084732	ref	6.69	-5.28	0	263.772	3.407	1	3	5	CCn1nccc1CN[C@H](C)c1ccccc1Cl
342078142	ZINC000050922708	ref	5.79	-51.03	-1	295.339	1.414	0	6	6	Cc1noc(CCC(=O)N2CCC(CCC(=O)[O-])CC2)n1
365633057	ZINC000625067140	ref	7.63	-40.11	1	306.435	2.1	1	5	7	Cn1cc(CC[N@@H+](Cc2cccs2)C[C@H]2CCCO2)nn1
365633066	ZINC000625067140	mid	7.49	-37.7	1	306.435	2.1	1	5	7	Cn1cc(CC[N@H+](Cc2cccs2)C[C@H]2CCCO2)nn1
187169132	ZINC000125084732	mid	7.86	-43.46	1	263.772	3.407	1	2	5	CCn1nccc1C[NH2+][C@H](C)c1ccccc1Cl
187169133	ZINC000125080403	ref	1.62	-15.31	0	265.718	1.48	0	5	6	COCCCS(=O)(=O)Oc1ccc(Cl)nc1
187169134	ZINC000125088323	ref	2.77	-7.13	0	256.327	1.181	1	4	5	COCCCN(C)C(=O)C(=O)Nc1ccsc1
187169135	ZINC000125081596	ref	5.5	-6.44	0	288.269	2.745	1	2	1	C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccc(F)c(F)c1F
187169136	ZINC000125089717	ref	0.34	-49.71	1	297.33	0.174	3	3	8	CC[C@@H](CNC(=O)CNC(=O)C[NH3+])Oc1cccc(F)c1
187169137	ZINC000125089717	mid	-0.06	-11.92	0	297.33	0.174	3	4	8	CC[C@@H](CNC(=O)CNC(=O)CN)Oc1cccc(F)c1
187169138	ZINC000125085164	ref	5.92	-9.34	0	267.398	2.115	1	3	4	CSC[C@H](C)C(=O)N1CCC(c2cc[nH]n2)CC1
342078143	ZINC000608846557	ref	4.96	-19.37	0	279.296	1.756	2	4	4	CC(=O)NC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1C
187169139	ZINC000125087437	ref	6.53	-41.97	1	290.363	2.474	2	3	4	CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1
187169140	ZINC000125087437	mid	6.46	-41.55	1	290.363	2.474	2	3	4	CC[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1
187169141	ZINC000125087437	high	4.12	-12.45	0	290.363	2.474	1	4	4	CC[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)C1
187169142	ZINC000125088679	ref	2.76	-11.21	0	280.353	0.984	1	6	4	Cc1nsc(NCCC(=O)N2CCOCC2)c1C#N
187169143	ZINC000125082906	ref	3.71	-15.63	0	293.363	1.744	2	4	7	C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(CCO)cc1
365633076	ZINC000625067140	high	5.29	-10.1	0	306.435	2.1	0	6	7	Cn1cc(CCN(Cc2cccs2)C[C@H]2CCCO2)nn1
342078144	ZINC000625291698	ref	2.11	-10.4	0	255.355	1.328	1	3	9	CCC(C)(C)CS(=O)(=O)NCCOCCF
342078145	ZINC000625290313	ref	4.2	-10.0	0	286.416	1.417	1	4	8	CCC[C@H](OCC)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1
187169144	ZINC000125088253	ref	10.56	-7.61	0	259.309	3.093	0	4	6	CCCN(CC1CC1)c1ccc([N+](=O)[O-])cc1C#N
187169145	ZINC000125088176	ref	5.1	-19.92	0	273.402	2.251	1	4	8	CCCC(CCC)S(=O)(=O)Cc1nnc(CC)[nH]1
342078146	ZINC000625290313	low	5.98	-43.86	1	286.416	1.417	2	3	8	CCC[C@H](OCC)C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1
349534510	ZINC000621241026	ref	7.3	-48.76	-1	287.319	2.398	1	5	4	Cc1cc(C)n([C@H](C)C(=O)Nc2ccccc2C(=O)[O-])n1
214184093	ZINC000278483614	ref	6.33	-42.03	1	306.258	3.37	2	2	5	O[C@H](C[NH2+]C[C@@H]1CCSC1)c1c(Cl)cccc1Cl
214184096	ZINC000278482977	ref	10.79	-19.96	0	311.385	2.851	1	4	5	C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1nccn1Cc1ccccc1
214184100	ZINC000278483996	ref	7.22	-14.34	0	324.302	3.104	1	3	5	Cc1cccc(CNC(=O)COc2ccnc(C(F)(F)F)c2)c1
214184106	ZINC000278484360	ref	5.55	-9.66	0	316.38	2.255	0	5	4	COc1ccnc(N2CCN(Cc3ccc(F)nc3C)CC2)c1
349534513	ZINC000621233657	ref	6.63	-7.71	0	295.423	2.465	0	3	5	CC(C)CCO[C@@H]1CCN(C(=O)[C@@]23C[C@@H]2COC3(C)C)C1
342595025	ZINC000590773013	ref	6.86	-14.47	0	293.367	1.324	0	5	3	C[C@H](C(=O)N1CC(C(=O)OC(C)(C)C)C1)c1cnn(C)c1
342595026	ZINC000590773576	ref	6.58	-17.58	0	295.335	1.07	1	5	9	CCOC(=O)COCCNC(=O)COc1ccccc1C
214184109	ZINC000278484360	mid	5.9	-36.45	1	316.38	2.255	0	4	4	COc1cc[nH+]c(N2CCN(Cc3ccc(F)nc3C)CC2)c1
214184114	ZINC000278484360	low	8.13	-106.96	2	316.38	2.255	1	3	4	COc1cc[nH+]c(N2CC[NH+](Cc3ccc(F)nc3C)CC2)c1
349534515	ZINC000621239902	ref	3.71	-10.62	0	295.383	2.335	2	3	7	CCCCN(C(=O)[C@H](C)NC(N)=O)[C@@H](C)c1ccc(C)o1
349534517	ZINC000621233692	ref	6.49	-12.06	0	283.412	2.465	0	3	6	CO[C@@H]1CC[C@H](C(=O)N2CC[C@@H](OCCC(C)C)C2)C1
214184116	ZINC000278484490	ref	4.18	-53.85	-1	301.755	2.227	0	5	5	CCc1nc([N-]S(=O)(=O)Cc2ccccc2Cl)no1
214184120	ZINC000278483019	ref	6.72	-19.47	0	319.401	3.141	1	4	5	CC1(C)CC[C@H](C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)O1
342595027	ZINC000590772909	ref	7.29	-18.09	0	264.325	1.48	0	4	3	CC(C)(C)OC(=O)C1CN(C(=O)CC2(C#N)CC2)C1
342595028	ZINC000590772916	ref	3.5	-9.84	0	266.297	1.397	0	5	2	Cc1nc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)co1
342595029	ZINC000590773544	ref	6.81	-16.1	0	257.305	1.536	0	3	2	COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@@H](F)C2)C1
290622381	ZINC000430003649	ref	3.89	-25.79	0	346.449	0.506	1	5	4	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@@H]2CCCC[C@H]2C(=O)OC)C1
185087618	ZINC000096073382	ref	5.48	-7.11	0	263.385	2.437	1	3	3	CC(C)[C@H]1CO[C@]2(CCCN(Cc3c[nH]cn3)C2)C1
214184129	ZINC000278484626	ref	3.67	-54.74	1	303.362	1.178	3	3	3	COc1cc(C[NH+]2CCC3(CC2)NC(=O)NC3=O)ccc1C
197591844	ZINC000162795596	ref	5.2	-10.76	0	319.311	2.449	1	4	3	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cccc(F)n1
365633060	ZINC000172888497	ref	1.98	-6.98	0	256.371	1.607	0	5	4	COC[C@@H]1CN(Cc2sc(C)nc2C)CCO1
178300630	ZINC000237172090	low	5.92	-91.3	2	351.466	1.72	2	3	7	COc1ccc(F)cc1C[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1
178300634	ZINC000237172090	low	5.85	-113.93	2	351.466	1.72	2	3	7	COc1ccc(F)cc1C[NH2+]C1CC[NH+](CCN2CCOCC2)CC1
365633065	ZINC000172888497	low	4.06	-40.75	1	256.371	1.607	1	4	4	COC[C@@H]1C[N@H+](Cc2sc(C)nc2C)CCO1
365633070	ZINC000172888497	low	4.33	-41.33	1	256.371	1.607	1	4	4	COC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)CCO1
365633077	ZINC000565363083	ref	6.05	-51.13	1	289.383	1.297	2	5	5	C[N@H+](CC[C@H]1CCCO1)C[C@@H]1CNc2c(C#N)cnn2C1
365633090	ZINC000565363083	mid	6.0	-50.95	1	289.383	1.297	2	5	5	C[N@@H+](CC[C@H]1CCCO1)C[C@@H]1CNc2c(C#N)cnn2C1
365633103	ZINC000172891087	ref	3.86	-9.61	0	260.384	1.651	0	3	4	CSc1cccc(N(C)S(=O)(=O)N(C)C)c1
365633115	ZINC000172889007	ref	4.74	-6.98	0	279.38	1.975	0	4	7	CCc1cccc(OCCN2CCO[C@@H](COC)C2)c1
365633124	ZINC000172889007	mid	6.68	-38.21	1	279.38	1.975	1	3	7	CCc1cccc(OCC[N@@H+]2CCO[C@@H](COC)C2)c1
365633130	ZINC000172889007	mid	7.08	-39.93	1	279.38	1.975	1	3	7	CCc1cccc(OCC[N@H+]2CCO[C@@H](COC)C2)c1
365633135	ZINC000172889051	ref	1.0	-11.41	0	282.325	1.263	1	5	4	Cc1nc(-c2cccc(NS(=O)(=O)N(C)C)c2)no1
365633139	ZINC000172892029	ref	4.25	-8.63	0	274.411	1.81	1	3	6	CSCCc1ccc(NS(=O)(=O)N(C)C)cc1
365633155	ZINC000172889093	ref	3.13	-11.9	0	256.367	1.988	1	3	4	Cc1cc(C)cc(CS(=O)(=O)[C@H](C)[C@H](C)O)c1
365633160	ZINC000172891659	ref	1.15	-10.67	0	292.332	1.069	1	4	7	COCCOc1ccc(F)cc1NS(=O)(=O)N(C)C
365633170	ZINC000172891659	high	1.25	-48.6	-1	292.332	1.069	0	4	7	COCCOc1ccc(F)cc1[N-]S(=O)(=O)N(C)C
365633178	ZINC000172888728	ref	2.63	-12.58	0	291.351	1.592	3	4	7	COc1ccc(NC(C)=O)c(NCC(=O)NCC2CC2)c1
365633195	ZINC000172889281	ref	3.06	-11.46	0	256.367	1.988	1	3	4	Cc1ccc(C)c(CS(=O)(=O)[C@H](C)[C@H](C)O)c1
343993754	ZINC000079916323	high	5.16	-17.65	0	288.225	2.268	1	4	2	CC(C(=O)Nc1ccc2oc(=O)n(C)c2c1)C(F)(F)F
349535950	ZINC000621245930	mid	2.35	-8.43	0	265.357	2.342	1	5	4	COCC1(c2nc([C@@H]3CCCN3)no2)CCCCC1
365633205	ZINC000172888502	ref	2.09	-7.24	0	256.371	1.607	0	5	4	COC[C@H]1CN(Cc2sc(C)nc2C)CCO1
365633212	ZINC000172888502	low	3.96	-40.77	1	256.371	1.607	1	4	4	COC[C@H]1C[N@H+](Cc2sc(C)nc2C)CCO1
365633217	ZINC000172888502	low	4.38	-41.34	1	256.371	1.607	1	4	4	COC[C@H]1C[N@@H+](Cc2sc(C)nc2C)CCO1
365633062	ZINC000274353922	low	6.6	-38.69	1	289.383	1.357	1	4	4	CN1CCN(c2cc(NCC3CCCC3)[nH+]cn2)CC1=O
282122183	ZINC000533468391	ref	5.9	-14.36	0	290.298	1.235	2	5	6	COCC(=O)Nc1cccc(CNc2ncc(F)cn2)c1
342078147	ZINC000625292011	ref	4.02	-9.9	0	284.4	1.027	1	4	7	CCO[C@H](C(=O)N[C@@H](C)[C@H](C)N1CCOCC1)C1CC1
342078148	ZINC000625292011	low	6.05	-41.91	1	284.4	1.027	2	3	7	CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1
349534514	ZINC000621493955	ref	8.67	-9.35	0	298.377	3.109	1	1	3	C[C@]12CN(C(=O)NCC[C@H]3CC3(F)F)C[C@@H]1[C@@H]1CC[C@H]2C1
398248356	ZINC000649443032	ref	7.66	-39.65	1	245.366	3.369	1	1	2	COc1ccc(C(C)(C)C)cc1C1=CC[NH2+]CC1
398248360	ZINC000649442951	ref	3.25	-47.99	1	231.295	1.359	2	2	2	OC[C@H]1Cc2cc(C3=CC[NH2+]CC3)ccc2O1
398248367	ZINC000649442996	ref	5.99	-49.68	1	242.322	1.956	2	1	3	O=C(NC1CC1)c1ccc(C2=CC[NH2+]CC2)cc1
398248372	ZINC000649442928	ref	4.45	-48.02	1	214.268	1.558	2	1	1	O=C1Cc2c(cccc2C2=CC[NH2+]CC2)N1
398248375	ZINC000649442876	ref	8.62	-43.48	1	243.35	3.292	1	1	4	CC(C)CC(=O)c1cccc(C2=CC[NH2+]CC2)c1
136229130	ZINC000232473178	ref	5.42	-35.66	1	236.384	2.467	2	2	3	c1cc2c(s1)CCC[C@H]2NC[C@@H]1CCC[NH2+]1
178300633	ZINC000082795270	ref	3.41	-11.04	0	257.135	1.838	1	4	3	C[C@H](C[C@@](C)(N)C#N)n1cc(Br)cn1
178300635	ZINC000082795270	mid	3.66	-53.98	1	257.135	1.838	1	3	3	C[C@H](C[C@@](C)([NH3+])C#N)n1cc(Br)cn1
136229131	ZINC000232473178	low	6.42	-124.39	2	236.384	2.467	2	1	3	c1cc2c(s1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1
136229132	ZINC000184912004	ref	7.3	-6.3	0	229.323	2.661	1	1	4	C#CCC(C)(C)C(=O)NCc1ccc(C)cc1
136229133	ZINC000292818534	ref	6.32	-38.31	1	248.317	1.902	2	1	7	C=CCC(F)(F)C(=O)NCC(C)(C)C[NH+](C)C
214184113	ZINC000053448346	ref	7.42	-12.25	0	330.432	3.397	0	5	3	Cc1noc(C2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)n1
214184115	ZINC000053449731	ref	5.73	-46.31	1	347.459	1.262	3	3	8	Cc1cc(C)cc(C(=O)NCC(=O)NCCCC[NH+]2CCOCC2)c1
214184118	ZINC000053449731	mid	3.33	-11.28	0	347.459	1.262	2	4	8	Cc1cc(C)cc(C(=O)NCC(=O)NCCCCN2CCOCC2)c1
214184130	ZINC000053463780	ref	8.48	-7.72	0	329.318	3.306	1	3	4	CC(=O)N[C@H](C(=O)Oc1cccc(C(F)(F)F)c1)C1CCCC1
214184134	ZINC000053457984	ref	7.19	-9.01	0	326.387	3.037	1	2	5	C[C@@H](c1cc(F)ccc1F)N(C)C(=O)CNC(=O)CC(C)(C)C
214184137	ZINC000053449931	ref	7.25	-11.7	0	338.219	4.486	0	5	4	Clc1cccc(Cl)c1OCc1csc(-c2ncccn2)n1
398248358	ZINC000069831472	ref	8.45	-6.21	0	234.302	3.847	1	2	3	c1ccc(NCc2ccc3ccccc3c2)nc1
398248363	ZINC000069831472	low	8.93	-31.13	1	234.302	3.847	1	1	3	c1ccc(NCc2ccc3ccccc3c2)[nH+]c1
398248365	ZINC000625698653	ref	4.78	-17.8	0	243.257	1.901	1	3	6	C=CC[C@@H](C)NC(=O)Cn1ccc(C(F)F)n1
136229134	ZINC000136965178	ref	4.9	-10.38	0	249.31	2.325	1	3	6	C=CCCC(=O)N(C)Cc1ccc(OC)c(O)c1
398248368	ZINC000390779451	ref	3.64	-11.11	0	238.312	1.411	2	3	2	C[C@H]1SCC[C@H]1NC(=O)c1ccc(=O)[nH]c1
398248371	ZINC000076848915	ref	6.69	-16.48	0	244.254	1.959	2	4	2	O=C(Nc1nc[nH]n1)[C@H]1CCOc2ccccc21
342595030	ZINC000590773428	ref	3.94	-7.95	0	293.31	1.194	1	4	5	CCOC(=O)C(C)(C)CC(=O)N1CC[C@@](O)(C(F)F)C1
398248379	ZINC000625698694	ref	2.67	-16.06	0	207.233	0.877	2	3	4	C=CC[C@@H](C)NC(=O)c1cc(=O)[nH]cn1
342595031	ZINC000590773726	ref	5.2	-13.22	0	259.346	1.509	1	4	9	CCOC(=O)COCCNC(=O)C(C)(CC)CC
398248383	ZINC000625698694	high	1.52	-41.75	-1	207.233	0.877	1	3	4	C=CC[C@@H](C)NC(=O)c1cc(=O)[n-]cn1
398248388	ZINC000395035482	ref	1.72	-12.84	0	225.292	0.618	3	3	5	C[C@@H](CC(C)(C)O)NC(=O)Cc1cc[nH]n1
185087633	ZINC000077064431	ref	9.8	-56.06	-1	306.749	3.062	0	5	5	CCCCn1nc(-c2ccccc2Cl)cc(C(=O)[O-])c1=O
398248394	ZINC000069831008	ref	6.68	-8.93	0	235.29	3.242	1	3	3	c1ccc(NCc2cccc3cccnc23)nc1
398248398	ZINC000069831008	low	7.16	-28.77	1	235.29	3.242	1	2	3	c1ccc(NCc2cccc3cccnc23)[nH+]c1
398248403	ZINC000308861284	ref	6.29	-45.47	-1	211.261	1.276	0	3	4	C=CC1CCN(C(=O)CCC(=O)[O-])CC1
282122184	ZINC000449152965	ref	6.42	-45.75	1	294.439	2.325	1	2	3	CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1
398248410	ZINC000390779419	ref	5.58	-4.7	0	233.237	2.436	1	3	3	CC[C@@H](C)Nc1cc(C(F)(F)F)nc(C)n1
398248415	ZINC000390780345	ref	3.01	-37.69	1	227.348	1.696	2	2	4	O[C@@H]1COC[C@@H]1[NH2+]CCC1CCCCCC1
398248420	ZINC000625698692	ref	6.28	-8.36	0	211.305	1.882	1	2	7	C=CC[C@@H](C)NC(=O)[C@H](OCC)C1CC1
398249431	ZINC000649443289	ref	5.48	-48.54	1	242.322	2.293	2	1	1	CC1(C)C(=O)Nc2cc(C3=CC[NH2+]CC3)ccc21
398249438	ZINC000381274643	ref	5.2	-35.24	1	231.38	2.452	1	2	8	CC[C@H](C)[C@H](C[NH2+]CCOC(C)(C)C)OC
398249444	ZINC000381274197	ref	9.94	-21.93	0	244.262	0.136	1	8	4	Cc1cc(NCCn2cnnc2)n2ncnc2n1
398249452	ZINC000649445600	ref	4.17	-9.49	0	209.27	2.322	0	4	4	COCCOc1ccc2cnsc2c1
398249459	ZINC000381274479	ref	2.79	-64.8	1	240.332	0.557	1	4	3	Cc1nnsc1C[NH2+][C@H]1CCC(=O)N(C)C1
187169146	ZINC000125088176	mid	4.72	-17.36	0	273.402	2.251	1	4	8	CCCC(CCC)S(=O)(=O)Cc1n[nH]c(CC)n1
282122187	ZINC000533467958	ref	9.51	-12.13	0	289.383	1.845	1	6	3	CC(C)c1cc(N2CCC[C@H]([C@H](C)O)C2)n2ncnc2n1
187169147	ZINC000125088192	ref	9.78	-33.33	1	274.408	2.765	1	1	5	CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1
187169148	ZINC000125088192	mid	9.66	-33.49	1	274.408	2.765	1	1	5	CC[C@H]1CC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccccc2)C1
187169149	ZINC000125088192	high	7.07	-6.44	0	274.408	2.765	0	2	5	CC[C@H]1CCN([C@@H](C)C(=O)N(C)Cc2ccccc2)C1
365633063	ZINC000576590185	ref	7.38	-37.14	0	239.319	1.314	1	4	7	CC(C)C[C@@H](C(=O)[O-])[N@H+](C)CCn1cccn1
365633072	ZINC000576590185	mid	7.41	-40.72	0	239.319	1.314	1	4	7	CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CCn1cccn1
187169150	ZINC000125081652	ref	6.1	-7.94	0	290.413	3.412	1	4	5	O=C(/C=C/c1cccs1)NCc1nc(C2CC2)cs1
187169151	ZINC000125080671	ref	8.07	-53.14	1	263.772	2.889	1	2	6	CCn1nccc1C[NH2+]CCc1ccc(Cl)cc1
187169152	ZINC000125080671	high	6.66	-6.29	0	263.772	2.889	1	3	6	CCn1nccc1CNCCc1ccc(Cl)cc1
187169153	ZINC000125090448	ref	7.16	-41.18	1	299.484	2.303	3	2	6	CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCS2)CC1
187169154	ZINC000125084744	ref	3.06	-15.59	0	278.308	1.621	2	5	4	CCC[C@](C)(O)C(=O)Nc1ccc2c(c1)oc(=O)n2C
187169155	ZINC000125082499	ref	4.87	-5.99	0	284.791	2.79	2	5	7	CNc1c(Cl)ncnc1NCC1(CCOC)CCC1
187169156	ZINC000125084972	ref	2.33	-13.19	0	286.401	0.196	0	5	3	Cc1nn(C)cc1CN1CCCN(S(C)(=O)=O)CC1
187169157	ZINC000125084972	low	4.16	-44.21	1	286.401	0.196	1	4	3	Cc1nn(C)cc1C[N@@H+]1CCCN(S(C)(=O)=O)CC1
187169158	ZINC000125084972	low	3.81	-54.5	1	286.401	0.196	1	4	3	Cc1nn(C)cc1C[N@H+]1CCCN(S(C)(=O)=O)CC1
365633080	ZINC000576590691	ref	4.96	-35.41	1	209.333	1.926	2	1	5	OC[C@@H]1CC[C@H]([NH2+]C(C2CC2)C2CC2)C1
187169159	ZINC000125083166	ref	3.72	-16.34	0	293.363	1.744	2	4	7	C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(CCO)cc1
187169160	ZINC000125089564	ref	7.49	-8.48	0	286.47	2.803	2	6	8	CSC[C@H](C)Nc1cc(N[C@H](C)CSC)ncn1
187169161	ZINC000125089564	low	7.97	-28.6	1	286.47	2.803	2	5	8	CSC[C@H](C)Nc1cc(N[C@H](C)CSC)[nH+]cn1
187169162	ZINC000125089564	low	7.97	-28.72	1	286.47	2.803	2	5	8	CSC[C@H](C)Nc1cc(N[C@H](C)CSC)nc[nH+]1
187169163	ZINC000125090391	ref	1.44	-12.04	0	291.351	2.237	2	5	6	CC[C@@H](O)CCNC(=O)c1cnc2onc(C(C)C)c2c1
365633086	ZINC000576592441	ref	7.82	-59.54	0	239.34	2.819	1	3	3	C[C@@H]1CC[C@@H](C)[NH+]1Cc1csc(C(=O)[O-])c1
214184117	ZINC000293555774	ref	1.77	-19.47	0	366.395	0.83	2	7	6	COC(=O)c1ccc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)n1C
214184121	ZINC000293558444	ref	4.46	-48.05	1	358.398	0.816	3	4	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1
136229135	ZINC000292819063	ref	4.97	-4.24	0	233.258	1.835	0	2	4	C=CCC(F)(F)C(=O)N1CCO[C@@H](CC)C1
365633067	ZINC000336550679	ref	5.06	-15.34	0	295.77	2.309	2	2	2	Cc1ccc(Cl)c(NC(=O)N[C@@H]2CC(=O)N(C)C2)c1C
214184126	ZINC000293558444	mid	1.89	-13.72	0	358.398	0.816	2	5	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[C@H](N3CC=CC3)C2)c1
214184131	ZINC000293560079	ref	4.69	-52.65	1	368.503	0.679	2	5	7	C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CC[C@@H]2CCOC2)CC1
365633071	ZINC000336550527	ref	3.59	-4.48	0	272.757	2.255	2	3	2	C[C@H]1CC[C@H]1NC(=O)C(=O)Nc1ccsc1Cl
214184135	ZINC000293560079	mid	2.36	-14.28	0	368.503	0.679	1	6	7	CN1CCN(c2ncccc2CNS(=O)(=O)CC[C@@H]2CCOC2)CC1
214184141	ZINC000293560090	ref	4.78	-53.25	1	368.503	0.679	2	5	7	C[NH+]1CCN(c2ncccc2CNS(=O)(=O)CC[C@H]2CCOC2)CC1
214184144	ZINC000293560090	mid	2.43	-13.88	0	368.503	0.679	1	6	7	CN1CCN(c2ncccc2CNS(=O)(=O)CC[C@H]2CCOC2)CC1
214184150	ZINC000293556997	ref	3.06	-22.55	0	373.409	0.659	2	5	5	NC(=O)COc1cccc(NC(=O)C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)c1
365633084	ZINC000336550582	ref	4.97	-13.8	0	280.393	2.125	1	3	3	CC(=O)N[C@H](C)C1CCN(C(=O)c2cccs2)CC1
214184154	ZINC000293558448	ref	4.47	-47.82	1	358.398	0.816	3	4	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1
214184157	ZINC000293558448	mid	1.9	-13.71	0	358.398	0.816	2	5	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CC[C@@H](N3CC=CC3)C2)c1
214184161	ZINC000293560834	ref	2.82	-13.48	0	364.398	0.844	3	6	6	COC(=O)COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@@H]2C)cc1
214184167	ZINC000293566571	ref	7.39	-17.79	0	364.406	0.079	1	7	1	Cn1cnc(NC(=O)C(=O)N2C[C@H]3CN(C(=O)OC(C)(C)C)C[C@H]3C2)n1
214184173	ZINC000293561804	ref	6.01	-46.96	1	356.426	0.76	2	5	5	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
214184178	ZINC000293561804	mid	6.25	-45.96	1	356.426	0.76	2	5	5	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
365633094	ZINC000336550545	ref	7.08	-15.79	0	277.327	2.098	1	3	3	N#Cc1cc(C(=O)NCC2Cc3ccccc3C2)ccn1
349534518	ZINC000621493372	ref	7.77	-9.78	0	288.382	3.499	1	1	4	CC(C)(C)C[C@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)C1
230236153	ZINC000336807908	ref	-3.66	-19.63	0	292.357	-1.193	2	5	4	NC(=O)[C@]1(O)CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1
282122188	ZINC000449152926	ref	3.6	-41.28	1	286.46	2.316	3	2	9	CCC(CC)(CCO)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C
349534521	ZINC000621492719	ref	8.52	-9.57	0	286.366	3.253	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@@H](C2CCC2)C1
282122192	ZINC000449152841	ref	6.02	-10.11	0	276.405	2.209	2	3	4	O=C(Cc1ccc2c(c1)NCC2)NC[C@H]1CCCS1
214184133	ZINC000278484626	high	1.29	-8.93	0	303.362	1.178	2	4	3	COc1cc(CN2CCC3(CC2)NC(=O)NC3=O)ccc1C
282122202	ZINC000449153192	ref	8.24	-54.98	1	270.38	2.327	1	3	6	CCn1nnc(C)c1C[NH2+][C@H]1C[C@@H]1Cc1ccccc1
343993758	ZINC000079920458	ref	6.08	-15.88	0	288.351	2.486	1	5	8	CCCn1nccc1NC(=O)CCCOc1cccnc1
398248376	ZINC000645410495	ref	7.12	-4.58	0	231.343	2.944	0	3	2	Cc1nccc(N2CCCC[C@H]2C2CCC2)n1
398248380	ZINC000645410495	low	7.57	-31.47	1	231.343	2.944	0	2	2	Cc1nc(N2CCCC[C@H]2C2CCC2)cc[nH+]1
214184136	ZINC000278483540	ref	8.12	-37.4	1	307.467	1.83	2	5	6	CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H]2CCSC2)ncn1
214184140	ZINC000278483540	low	8.59	-94.4	2	307.467	1.83	2	4	6	CNc1cc(N2CCC[C@@H]2C[NH2+]C[C@@H]2CCSC2)nc[nH+]1
178300636	ZINC000237159400	ref	5.09	-54.15	1	354.838	1.148	2	4	7	COCC[NH2+]CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1
178300640	ZINC000237159400	high	3.75	-14.91	0	354.838	1.148	2	5	7	COCCNCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1
214184145	ZINC000278484231	ref	4.67	-35.14	1	317.481	1.654	2	4	4	CC(C)[NH+]1CCC(N2CCN(Cc3ccnc(N)c3)CC2)CC1
214184148	ZINC000278484231	mid	6.93	-87.52	2	317.481	1.654	3	3	4	CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccnc(N)c3)CC2)CC1
214184151	ZINC000278482975	ref	8.38	-52.47	1	319.365	1.994	3	5	6	COCC[NH+]1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1
214184155	ZINC000278482975	high	6.07	-10.24	0	319.365	1.994	2	6	6	COCCN1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1
214184170	ZINC000278484346	ref	7.89	-7.06	0	311.447	2.602	0	5	10	COCCSCCCN(C)[C@H](C(=O)OC)c1ccccc1
214184174	ZINC000278484346	low	9.8	-37.11	1	311.447	2.602	1	4	10	COCCSCCC[N@H+](C)[C@H](C(=O)OC)c1ccccc1
214184175	ZINC000278484346	low	9.79	-37.29	1	311.447	2.602	1	4	10	COCCSCCC[N@@H+](C)[C@H](C(=O)OC)c1ccccc1
197591842	ZINC000290093996	ref	3.03	-8.05	0	265.338	2.853	0	6	4	COCc1ncsc1-c1nc([C@H]2CC2(C)C)no1
349534520	ZINC000621229755	ref	5.37	-8.88	0	277.29	2.368	1	3	6	CC(C)(CNC(=O)CCn1cccn1)CC(F)(F)F
349534523	ZINC000621229580	ref	4.29	-18.67	0	297.358	2.479	2	2	5	C[C@@H](c1ccccc1)N(C(=O)c1c[nH]c(C(N)=O)c1)C1CC1
365633068	ZINC000274353922	low	6.43	-39.08	1	289.383	1.357	1	4	4	CN1CCN(c2cc(NCC3CCCC3)nc[nH+]2)CC1=O
349534524	ZINC000621233416	ref	5.51	-16.41	0	297.424	2.053	0	5	6	Cc1nnc(CC(=O)N2CC[C@@H](OCCC(C)C)C2)s1
349534526	ZINC000621234449	ref	8.13	-10.1	0	283.412	2.465	0	3	8	CC(C)CCO[C@@H]1CCN(C(=O)[C@@H](C)OCC2CC2)C1
349534529	ZINC000621234679	ref	3.19	-9.69	0	296.367	2.098	0	5	7	COCc1nc(C(=O)N2CC[C@@H](OCCC(C)C)C2)co1
365633078	ZINC000274355912	ref	4.83	-8.64	0	296.33	1.527	2	4	2	Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(=O)Nc1cncnc1
365633088	ZINC000274353856	ref	3.94	-40.61	1	297.424	1.372	2	3	3	C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@@H+]1C
365633097	ZINC000274353856	mid	3.63	-43.57	1	297.424	1.372	2	3	3	C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@H+]1C
342078149	ZINC000031664522	ref	3.9	-8.47	0	264.325	1.625	1	3	3	COc1ccc(CNC(=O)N2CCOC[C@@H]2C)cc1
365633106	ZINC000274353856	mid	1.64	-9.14	0	297.424	1.372	1	4	3	C[C@H]1C[C@H](N(C)S(=O)(=O)c2cccc(N)c2)CCN1C
365633113	ZINC000274353818	ref	3.14	-7.59	0	278.356	1.381	2	5	4	CC(C)O[C@H]1C[C@@H](NC(=O)c2nccnc2N)C1(C)C
365633121	ZINC000274355660	ref	5.43	-16.78	0	262.313	1.206	1	4	3	CCC(=O)N1CCCC[C@H]1C(=O)Nc1cncnc1
365633132	ZINC000274355324	ref	2.98	-45.9	1	295.379	1.819	2	4	7	COC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2
365633148	ZINC000274355324	high	1.58	-7.9	0	295.379	1.819	2	5	7	COC[C@@H](CCO)NCc1ccc2c(c1)COC(C)(C)O2
282122191	ZINC000170719968	ref	6.23	-22.49	0	328.401	2.333	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1nc3ccccc3s1)CC2
365633154	ZINC000274353838	ref	4.67	-35.67	1	292.402	1.432	1	3	4	CC[NH+]1CCN([C@@H]2CCN(Cc3cncc(F)c3)C2)CC1
365633161	ZINC000274353838	low	6.96	-94.96	2	292.402	1.432	2	2	4	CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC1
342078150	ZINC000625290314	ref	4.22	-9.98	0	286.416	1.417	1	4	8	CCC[C@H](OCC)C(=O)N[C@H](C)[C@H](C)N1CCOCC1
342078151	ZINC000625290314	low	5.98	-43.87	1	286.416	1.417	2	3	8	CCC[C@H](OCC)C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1
342078152	ZINC000617964247	ref	5.0	-11.5	0	277.368	1.763	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2cnn3c2C[C@@H](C)CC3)C1
187169164	ZINC000125083531	ref	2.66	-10.76	0	251.326	1.894	2	3	6	CC[C@H](O)CCNC(=O)c1ccc(OC)cc1C
365633074	ZINC000354703797	low	7.96	-93.26	2	292.427	1.483	2	3	4	Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)C2CCCCC2)CC1
365633081	ZINC000354703797	high	5.25	-8.48	0	292.427	1.483	1	5	4	Cn1ccnc1N1CCN(C[C@H](O)C2CCCCC2)CC1
365633087	ZINC000354701861	ref	5.32	-16.0	0	253.321	1.67	1	3	5	Cc1c(CC(=O)NCCC2(F)CCC2)cnn1C
187169165	ZINC000125080996	ref	5.48	-6.41	0	288.269	2.745	1	2	1	C[C@@H]1OCCN(C(=O)Nc2ccc(F)c(F)c2F)[C@@H]1C
187169166	ZINC000125088456	ref	5.75	-13.41	0	287.359	2.575	1	3	3	Cc1ccc2c(CC(=O)N3CCC[C@H]3CO)coc2c1C
187169167	ZINC000125085445	ref	8.44	-40.99	1	292.398	3.045	2	1	3	Cc1cc(C(=O)NC2CC[NH+](C(C)C)CC2)cc(C)c1F
187169168	ZINC000125082736	ref	4.29	-12.3	0	287.363	2.072	2	4	6	CC[C@H](O)CCNC(=O)c1cnn(-c2ccccc2)c1C
187169169	ZINC000125082574	ref	4.63	-11.17	0	295.404	2.434	1	4	4	CC[C@H](SC)C(=O)N1CCO[C@H](c2cccc(O)c2)C1
187169170	ZINC000125081909	ref	1.07	-9.86	0	279.308	1.866	2	4	6	CC[C@H](O)CNc1ccccc1S(=O)(=O)C(F)F
187169171	ZINC000125082700	ref	-1.15	-8.39	0	292.257	1.359	4	3	5	CCC(CO)(CO)NC(=O)Nc1ccc(F)c(F)c1F
282122193	ZINC000533469813	ref	2.58	-14.92	0	292.383	1.589	3	3	2	C[C@H](O)[C@H]1CCCN(C(=O)N[C@H]2CCCc3c[nH]nc32)C1
187169173	ZINC000125089682	ref	0.82	-15.57	0	294.355	0.858	2	5	7	CCN(CC)C(=O)[C@H](C)Nc1cnc(OC)c(C(N)=O)c1
342078153	ZINC000625289595	ref	-0.33	-8.53	0	253.283	1.954	1	6	4	CCc1csc(NC(=O)c2coc(OC)n2)n1
187169175	ZINC000125089463	ref	0.75	-15.8	0	294.355	0.858	2	5	7	CCN(CC)C(=O)[C@@H](C)Nc1cnc(OC)c(C(N)=O)c1
187169176	ZINC000125085046	ref	6.3	-5.97	0	265.298	2.323	1	7	4	Cc1cnc([C@H](C)Nc2ncc([N+](=O)[O-])cn2)s1
187169177	ZINC000125089536	ref	4.66	-46.08	1	289.379	1.844	3	2	5	CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1
187169178	ZINC000125089536	mid	4.56	-46.03	1	289.379	1.844	3	2	5	CC[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1
187169179	ZINC000125089536	high	1.97	-14.11	0	289.379	1.844	2	3	5	CC[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1
342078154	ZINC000625289595	high	-1.61	-44.43	-1	253.283	1.954	0	6	4	CCc1csc([N-]C(=O)c2coc(OC)n2)n1
342078155	ZINC000608845827	ref	5.97	-12.21	0	283.368	1.605	0	4	3	CCOC(=O)[C@@H]1CCCN(C(=O)C2(C)CCOCC2)C1
342078156	ZINC000077824654	ref	1.77	-10.01	0	270.373	1.263	3	3	7	O=C(NCCOCC1CC1)NC[C@@H]1CCCC[C@H]1O
185087621	ZINC000096073382	mid	8.22	-32.29	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
365633083	ZINC000625067802	ref	4.73	-14.01	0	321.764	2.336	1	5	3	COc1cccc2c1OCC[C@@H]2NC(=O)c1nn(C)cc1Cl
185087623	ZINC000096073382	mid	7.71	-34.1	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
185087625	ZINC000096073382	low	7.86	-39.73	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
185087627	ZINC000096073382	low	8.02	-41.43	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
185087629	ZINC000096073382	high	5.41	-6.25	0	263.385	2.437	1	3	3	CC(C)[C@H]1CO[C@]2(CCCN(Cc3cnc[nH]3)C2)C1
342078157	ZINC000625289839	ref	4.0	-7.83	0	289.423	1.888	2	2	4	C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)N[C@H](C)c1ccccc1
342078158	ZINC000625289839	mid	5.89	-35.74	1	289.423	1.888	2	2	4	C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)N[C@H](C)c1ccccc1
185087631	ZINC000096072224	ref	4.62	-9.91	0	281.377	1.697	0	4	3	CO[C@H]1CO[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1
342078159	ZINC000625289839	mid	4.0	-7.83	0	289.423	1.888	1	3	4	C[C@H]1[C@H](C)N(CC(=O)N[C@H](C)c2ccccc2)CCN1C
342078160	ZINC000625289978	ref	4.28	-35.13	1	255.406	1.173	2	2	3	C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)NCC(C)(C)C
342078161	ZINC000625289978	mid	4.71	-34.62	1	255.406	1.173	2	2	3	C[C@H]1[C@H](C)[N@@H+](C)CCN1CC(=O)NCC(C)(C)C
185087634	ZINC000096074100	ref	9.17	-39.02	1	276.355	2.27	1	1	2	C[N@@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1
185087636	ZINC000096074100	mid	9.1	-47.51	1	276.355	2.27	1	1	2	C[N@H+]1CCC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1
185087638	ZINC000096072866	ref	6.85	-21.5	0	292.339	0.39	0	6	2	O=C([C@H]1CCCO1)N1CC[C@]2(C[C@@H](n3cnnc3)CO2)C1
365633091	ZINC000625067138	ref	7.51	-40.58	1	306.435	2.1	1	5	7	Cn1cc(CC[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)nn1
365633096	ZINC000625067138	mid	7.54	-41.39	1	306.435	2.1	1	5	7	Cn1cc(CC[N@H+](Cc2cccs2)C[C@@H]2CCCO2)nn1
185087641	ZINC000096074597	ref	5.95	-41.59	1	292.383	0.747	1	4	2	CC[N@@H+]1CCOCC12CCN(C(=O)c1cncn1C)CC2
185087643	ZINC000096074597	mid	5.95	-42.6	1	292.383	0.747	1	4	2	CC[N@H+]1CCOCC12CCN(C(=O)c1cncn1C)CC2
214184142	ZINC000053448221	ref	7.92	-13.18	0	329.375	3.027	0	4	3	Cc1noc(C2CCN(C(=O)[C@H]3C[C@H]3c3ccc(F)cc3)CC2)n1
185087645	ZINC000096074597	mid	3.88	-9.86	0	292.383	0.747	0	5	2	CCN1CCOCC12CCN(C(=O)c1cncn1C)CC2
342078162	ZINC000625289978	mid	2.37	-7.19	0	255.406	1.173	1	3	3	C[C@H]1[C@H](C)N(CC(=O)NCC(C)(C)C)CCN1C
214184143	ZINC000053463022	ref	3.27	-17.79	0	334.298	1.327	2	5	6	COC(=O)N(C)CC(=O)NCCNc1ccc(C(F)(F)F)cn1
398248377	ZINC000651461374	ref	8.24	-9.52	0	284.35	3.15	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC2(CC1)CC2(F)F
398248385	ZINC000651459441	ref	7.81	-9.03	0	294.439	3.308	1	2	3	CCN(C(=O)NC1CC2(CCC2)C1)[C@@H]1CCOC(C)(C)C1
230236170	ZINC000354968277	ref	0.73	-48.3	-1	278.33	-0.705	2	5	4	CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=O)C(=O)[O-]
214184147	ZINC000053463474	ref	9.3	-12.16	0	342.37	2.816	0	4	4	O=C(OCc1cccnc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1
230236183	ZINC000354978920	ref	0.52	-56.82	1	268.321	-0.688	4	4	6	CNC(=O)Cn1cc(NC(=O)NCC[NH+](C)C)cn1
230236194	ZINC000354978920	high	-1.95	-24.42	0	268.321	-0.688	3	5	6	CNC(=O)Cn1cc(NC(=O)NCCN(C)C)cn1
342595032	ZINC000590773214	ref	7.68	-10.65	0	290.363	1.814	0	4	4	CC(C)(C)OC(=O)C1CN(C(=O)CCc2cccnc2)C1
342595033	ZINC000590773048	ref	2.9	-10.6	0	252.27	1.088	0	5	2	CC(C)(C)OC(=O)C1CN(C(=O)c2cocn2)C1
342595034	ZINC000590773438	ref	4.3	-12.92	0	285.384	1.491	2	4	7	COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCC[C@@H](C)CCO
342595035	ZINC000590773691	ref	6.19	-12.84	0	271.357	1.509	1	4	8	CCOC(=O)COCCNC(=O)[C@@H](C)C1CCCC1
398248390	ZINC000651459364	ref	5.91	-6.05	0	272.339	3.196	2	1	3	O=C(NC1CC2(CCC2)C1)NC1(C(F)F)CCCC1
398249507	ZINC000649445726	ref	5.88	-8.1	0	249.335	3.102	0	4	3	c1cc2cnsc2cc1OCC1CCOCC1
214184152	ZINC000053459342	ref	7.99	-13.04	0	338.407	3.133	1	3	5	COCc1cccc(NC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)c1
214184156	ZINC000053462587	ref	6.72	-20.98	0	346.427	1.811	2	4	6	CC(=O)N[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)C1CCCC1
214184160	ZINC000053454758	ref	3.06	-16.64	0	327.344	2.242	0	7	2	Cc1noc(C2CCN(C(=O)c3cnc4onc(C)c4c3)CC2)n1
214184163	ZINC000053447016	ref	6.84	-44.97	1	325.172	3.033	2	1	6	C[N@H+](CCNCC(F)(F)F)Cc1ccc(Br)cc1
214184166	ZINC000053447016	mid	6.85	-44.96	1	325.172	3.033	2	1	6	C[N@@H+](CCNCC(F)(F)F)Cc1ccc(Br)cc1
214184169	ZINC000053447016	mid	4.52	-3.6	0	325.172	3.033	1	2	6	CN(CCNCC(F)(F)F)Cc1ccc(Br)cc1
214184171	ZINC000053456198	ref	5.49	-23.95	0	347.436	2.316	1	4	8	CCS(=O)(=O)CC(=O)NCc1ccc(OCc2ccccc2)cc1
214184182	ZINC000053454769	ref	5.87	-10.39	0	343.214	3.043	0	5	2	Cc1noc(C2CCN(C(=O)c3cc(Cl)c(Cl)n3C)CC2)n1
214184187	ZINC000053454717	ref	4.21	-25.34	0	333.413	2.135	0	5	3	Cc1noc(C2CCN(C(=O)c3ccc([S@@](C)=O)cc3)CC2)n1
178300645	ZINC000034406624	ref	6.91	-7.87	0	237.306	3.429	2	2	1	Cc1cc2nc(-c3ccccc3N)[nH]c2cc1C
178300651	ZINC000225332053	ref	4.46	-7.17	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)F)N2
178300655	ZINC000051847964	ref	4.0	-12.27	0	227.271	2.152	3	3	1	Cc1cc2nc(-c3c[nH]nc3N)[nH]c2cc1C
342595036	ZINC000590773446	ref	5.28	-17.36	0	267.26	1.821	1	4	3	CNc1ccc(C(=O)N2CC[C@H](F)C2)cc1[N+](=O)[O-]
178300658	ZINC000095942529	ref	5.7	-52.32	-1	223.232	0.574	0	5	2	Cc1cc2n(n1)[C@@H](C)CC(=O)N2CC(=O)[O-]
365633093	ZINC000354703728	ref	4.34	-44.27	1	281.4	1.034	2	2	4	C[C@@H]1CCC[C@@H](C)N1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365633099	ZINC000354703284	ref	8.18	-41.19	1	252.358	1.106	1	2	3	CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C
178300662	ZINC000051848086	ref	3.6	-47.14	1	203.289	2.374	2	1	1	Cc1cc2nc(C(C)(C)[NH3+])[nH]c2cc1C
342595037	ZINC000590772896	ref	6.27	-20.15	0	289.257	1.261	0	3	4	N#CC1(CC(=O)N2CC(=O)N(CCC(F)(F)F)C2)CC1
178300667	ZINC000051848086	high	3.35	-6.79	0	203.289	2.374	2	2	1	Cc1cc2nc(C(C)(C)N)[nH]c2cc1C
398248382	ZINC000649442923	ref	7.29	-44.6	1	245.347	2.742	1	2	1	O=C1CCSc2ccc(C3=CC[NH2+]CC3)cc21
398248387	ZINC000649443007	ref	6.47	-48.16	1	240.306	2.747	2	1	2	CC(=O)c1c[nH]c2ccc(C3=CC[NH2+]CC3)cc12
282122195	ZINC000183880298	ref	7.95	-46.61	1	320.433	3.275	2	3	8	CCC(CC)(C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1)C(=O)OC
342595038	ZINC000590772981	ref	6.71	-11.51	0	263.284	1.832	0	3	4	CC(C)(C)OC(=O)C1CN(C(=O)CCC(F)F)C1
342595039	ZINC000590772845	ref	6.57	-12.56	0	277.32	1.934	1	4	7	CC/C=C\CNC(=O)c1ccc(OCC(=O)OC)cc1
187169180	ZINC000125082396	ref	8.54	-11.17	0	299.345	3.716	1	2	3	O=C(N[C@@H]1CCCc2occc21)[C@@H]1C[C@@H]1c1ccc(F)cc1
342595040	ZINC000590772994	ref	5.86	-10.9	0	294.355	1.102	0	6	4	CCCn1cc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)nn1
342595041	ZINC000590773107	ref	8.08	-12.03	0	283.368	1.602	0	4	5	C[C@H](OCC1CC1)C(=O)N1CC(C(=O)OC(C)(C)C)C1
342595042	ZINC000590772955	ref	5.06	-11.53	0	265.313	1.132	1	4	2	Cc1c[nH]nc1C(=O)N1CC(C(=O)OC(C)(C)C)C1
342595043	ZINC000590773717	ref	2.73	-14.38	0	296.323	1.252	1	6	8	CCOC(=O)COCCNC(=O)c1coc(C2CCC2)n1
178300679	ZINC000053297635	ref	5.01	-8.35	0	241.294	2.705	1	4	0	Cc1cc2n(n1)[C@H]1C[C@@](C)(N2)Oc2ccccc21
178300687	ZINC000095616395	ref	3.97	-7.11	0	228.049	1.094	1	3	0	Cc1cc2n[nH]c(=O)n2cc1Br
342595044	ZINC000590773042	ref	5.69	-8.94	0	282.384	1.271	1	3	2	C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)OC(C)(C)C)C1
295666229	ZINC000412987107	ref	10.63	-41.61	1	300.362	2.826	1	4	5	O=[N+]([O-])c1cnn(Cc2ccc(C[NH+]3CCCCC3)cc2)c1
185087648	ZINC000096072334	ref	3.67	-16.2	0	298.383	0.555	1	4	5	CNC(=O)CO[C@H]1CO[C@@]2(CCN(C(=O)CC(C)C)C2)C1
185087651	ZINC000096074596	ref	4.08	-40.42	1	290.367	0.803	1	4	2	CC[N@@H+]1CCOCC12CCN(C(=O)c1cnccn1)CC2
398248384	ZINC000645409797	ref	5.35	-8.78	0	244.379	2.489	1	2	6	CC[C@H](CNC(=O)N(C)CCC(C)(C)C)OC
185087653	ZINC000096074596	mid	4.08	-41.26	1	290.367	0.803	1	4	2	CC[N@H+]1CCOCC12CCN(C(=O)c1cnccn1)CC2
349535951	ZINC000602431472	ref	5.72	-38.18	1	239.363	1.189	1	3	6	C[C@@H](CCC#N)CN1CCO[C@@H](C[NH+](C)C)C1
185087655	ZINC000096074596	mid	2.0	-9.34	0	290.367	0.803	0	5	2	CCN1CCOCC12CCN(C(=O)c1cnccn1)CC2
282122196	ZINC000533469813	mid	2.56	-11.32	0	292.383	1.589	3	3	2	C[C@H](O)[C@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1
282122200	ZINC000533468427	ref	6.38	-20.66	0	293.304	1.765	1	6	4	Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1ccsc1=O
290622385	ZINC000492520603	ref	3.75	-15.83	0	281.315	2.141	2	3	4	Cc1cccnc1/C=C\C(=O)Nc1cccc(C(N)=O)c1
290622388	ZINC000492520820	ref	5.54	-15.29	0	280.393	2.265	1	3	8	CCCCCN(CC(N)=O)C(=O)/C=C\c1ccsc1
136229137	ZINC000184907764	ref	6.64	-7.68	0	233.286	2.491	1	1	4	C#CCC(C)(C)C(=O)NCc1ccccc1F
136229138	ZINC000184919660	ref	5.78	-7.39	0	232.327	2.861	1	2	5	C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccnc1
365633095	ZINC000576592441	high	5.8	-49.15	-1	239.34	2.819	0	4	3	C[C@@H]1CC[C@@H](C)N1Cc1csc(C(=O)[O-])c1
290622391	ZINC000492521012	ref	5.42	-13.1	0	270.279	2.217	0	3	6	CCN(CC(F)F)C(=O)/C=C\c1cncc(OC)c1
185087669	ZINC000096072469	ref	4.41	-10.12	0	298.346	1.688	0	6	3	c1cncc(O[C@@H]2CO[C@]3(CCN(c4cnccn4)C3)C2)c1
214184146	ZINC000337621401	ref	1.66	-15.88	0	275.345	0.038	1	5	9	C[C@H](OC[C@H]1CCCO1)C(=O)N(C)CCOCCO
282122203	ZINC000533467956	ref	9.3	-11.89	0	289.383	1.845	1	6	3	CC(C)c1cc(N2CCC[C@H]([C@@H](C)O)C2)n2ncnc2n1
185087673	ZINC000096074587	ref	5.19	-45.96	1	289.379	1.327	1	3	1	Cc1ccc(C(=O)N2CCC3(CC2)COCC[N@H+]3C)cn1
185087675	ZINC000096074587	mid	5.15	-44.9	1	289.379	1.327	1	3	1	Cc1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+]3C)cn1
136229139	ZINC000292821963	ref	2.84	-9.36	0	213.321	1.866	2	2	7	C=CCC(C)(C)C(=O)N[C@H](C)CCCO
214184149	ZINC000337623334	ref	2.53	-14.57	0	254.29	-0.607	1	5	6	CCN(C)C(=O)CNC(=O)COc1cnn(C)c1
398249508	ZINC000390797259	high	6.38	-3.07	0	219.328	3.312	1	2	6	C/C=C/CN[C@@H](CC)c1ccc(OC)cc1
187169181	ZINC000125087609	ref	8.8	-46.2	1	257.381	3.316	1	2	6	CCc1ccc([C@H](C)[NH2+]Cc2ccnn2CC)cc1
187169182	ZINC000125087609	high	7.69	-5.35	0	257.381	3.316	1	3	6	CCc1ccc([C@H](C)NCc2ccnn2CC)cc1
178300650	ZINC000237155645	ref	5.12	-51.1	1	354.838	1.148	2	4	7	COCC[NH2+]CC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
178300653	ZINC000237155645	high	3.77	-18.77	0	354.838	1.148	2	5	7	COCCNCC(=O)N1CCC(C(=O)Nc2ccc(Cl)cn2)CC1
187169183	ZINC000125083596	ref	3.65	-15.58	0	293.363	1.744	2	4	7	C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(CCO)cc1
187169184	ZINC000125089096	ref	7.13	-50.43	1	279.277	3.361	1	1	7	CCOCCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
187169185	ZINC000125089096	high	5.77	-4.16	0	279.277	3.361	1	2	7	CCOCCCNCc1cc(F)cc(C(F)(F)F)c1
306234641	ZINC000557909422	ref	0.5	-16.56	0	346.424	1.161	3	4	9	CC[C@@](C)(CO)NC(=O)CCCNS(=O)(=O)c1ccc(F)cc1
187169187	ZINC000125084279	ref	4.52	-42.45	1	283.763	0.691	2	5	2	CNc1c(Cl)ncnc1N1C[C@H]2OCC[N@H+](C)[C@@H]2C1
365633100	ZINC000576592431	ref	8.19	-60.41	0	239.34	2.819	1	3	3	C[C@H]1CC[C@@H](C)[N@@H+]1Cc1csc(C(=O)[O-])c1
365633107	ZINC000576592431	mid	7.7	-57.5	0	239.34	2.819	1	3	3	C[C@H]1CC[C@@H](C)[N@H+]1Cc1csc(C(=O)[O-])c1
365633112	ZINC000576592431	high	6.13	-48.41	-1	239.34	2.819	0	4	3	C[C@H]1CC[C@@H](C)N1Cc1csc(C(=O)[O-])c1
365633118	ZINC000576587496	ref	4.29	-55.1	-1	241.287	0.947	1	4	5	C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@H](CC)C(=O)[O-]
365633126	ZINC000576591366	ref	4.02	-10.87	0	247.298	1.905	2	3	4	Cc1c[nH]c(C(C)(C)NC(=O)Cc2ccco2)n1
178300654	ZINC000237169446	ref	5.8	-47.9	-1	363.151	1.893	1	4	5	COc1ccc(C(=O)N[C@@H](C)CC(=O)[O-])c(I)c1
178300659	ZINC000237175720	ref	6.46	-46.58	1	350.426	1.948	1	5	3	C[NH2+]C1CCN(C(=O)c2nnn(-c3ccc4ncccc4c3)c2C)CC1
187169188	ZINC000125084279	mid	5.0	-41.93	1	283.763	0.691	2	5	2	CNc1c(Cl)ncnc1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1
178300661	ZINC000237159623	ref	5.15	-50.79	1	362.474	1.591	3	3	8	COCC[NH2+]CC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1
187169189	ZINC000125084279	mid	2.59	-5.26	0	283.763	0.691	1	6	2	CNc1c(Cl)ncnc1N1C[C@H]2OCCN(C)[C@@H]2C1
187169190	ZINC000125086127	ref	-0.01	-9.55	0	268.313	0.531	3	4	6	CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H](C)CO
187169191	ZINC000125084086	ref	6.37	-18.87	0	298.745	2.138	1	2	2	CNC(=O)[C@H]1CCCN1C(=O)c1cc(C)c(F)cc1Cl
192339504	ZINC000421440104	ref	6.8	-6.24	0	209.333	2.727	1	1	4	CC[C@H](NC(=O)[C@@]12CCC[C@@H]1C2)C(C)C
342595045	ZINC000590773042	mid	7.5	-36.75	1	282.384	1.271	1	3	2	C[N@H+]1CCCC[C@H]1C(=O)N1CC(C(=O)OC(C)(C)C)C1
398248389	ZINC000183529164	ref	4.6	-9.09	0	247.302	1.234	0	5	3	CC[C@@H](C)N(C)C(=O)c1cnc2c(c1)nnn2C
398248393	ZINC000457192858	ref	7.08	-7.13	0	233.302	2.829	1	1	3	C[C@H](CC(C)(C)C)NC(=O)[C@@H]1[C@@H](C)C1(F)F
365633101	ZINC000625067138	high	5.38	-9.96	0	306.435	2.1	0	6	7	Cn1cc(CCN(Cc2cccs2)C[C@@H]2CCCO2)nn1
365633111	ZINC000625068742	ref	4.86	-17.77	0	305.422	2.028	2	3	6	Cc1ccc(NC(=O)CN(C)CC(=O)NCC(C)(C)C)cc1
365633120	ZINC000625069417	ref	3.28	-9.64	0	319.467	2.067	1	4	6	CCC1(CC)[C@@H](OC)C[C@H]1NS(=O)(=O)[C@H]1COC(C)(C)C1
365633128	ZINC000625070071	ref	6.69	-10.81	0	318.425	2.328	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CC(C)(C)OC[C@@H]1C
365633140	ZINC000625067197	ref	6.65	-12.04	0	305.374	2.45	1	4	6	CCO[C@H](C(=O)N[C@@H]1CCOc2c(OC)cccc21)C1CC1
197591861	ZINC000290093235	ref	5.76	-8.97	0	264.354	2.459	0	6	6	CCS[C@H](C)c1noc(CCc2ccncn2)n1
365633150	ZINC000625069644	ref	4.59	-8.21	0	313.41	2.497	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H](C)[C@H]1C
365633157	ZINC000625070470	ref	3.89	-9.86	0	305.346	2.071	0	3	2	Cc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@H]2C)c(F)c1F
365633168	ZINC000625069293	ref	5.53	-11.3	0	321.442	2.059	1	3	4	CC1(C)C[C@H](S(=O)(=O)NC[C@@H]2[C@H]3Cc4ccccc4[C@H]32)CO1
342595046	ZINC000590773042	mid	5.69	-8.94	0	282.384	1.271	0	4	2	CN1CCCC[C@H]1C(=O)N1CC(C(=O)OC(C)(C)C)C1
398248399	ZINC000645408088	ref	2.4	-12.24	0	243.307	0.241	1	3	4	CC[C@@H](CNC(=O)N1CN(C)C(=O)[C@H]1C)OC
365633179	ZINC000625068067	ref	6.72	-13.09	0	305.296	2.335	0	3	9	COCCN(CC(F)F)C(=O)CCOc1cccc(F)c1
365633185	ZINC000625070468	ref	3.96	-10.17	0	305.346	2.071	0	3	2	Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@@H]2C)c(F)c1F
398248405	ZINC000442705838	ref	2.93	-15.12	0	245.319	0.269	1	4	7	COCCCOCC(=O)N1CC[C@H](C)[C@@H]1CO
398248409	ZINC000336779457	ref	2.45	-35.98	1	233.262	1.527	2	3	6	C[C@H](O)C[C@@H](C)[NH2+]Cc1ccn(C(F)F)n1
349534525	ZINC000621492923	ref	3.99	-15.3	0	298.346	3.189	2	4	4	C[C@@H]1CC[C@H]1NC(=O)Nc1ccc(Oc2cccnn2)cc1
365633191	ZINC000625068981	ref	7.51	-10.84	0	318.425	2.328	1	6	5	CC[C@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C[C@H](C)O1
365633199	ZINC000625067122	ref	6.99	-12.15	0	306.439	2.266	1	6	5	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)[C@@H]1CCSC1
398248413	ZINC000336779457	mid	1.52	-6.35	0	233.262	1.527	2	4	6	C[C@H](O)C[C@@H](C)NCc1ccn(C(F)F)n1
398248417	ZINC000336779503	ref	4.91	-9.42	0	240.332	1.358	1	6	5	CCOC[C@@H](C)Nc1nn2cc(C)nc2s1
187169192	ZINC000125085520	ref	6.5	-53.47	1	276.38	1.838	1	2	5	COc1ccc(CCCC(=O)N2CC[NH2+]C[C@H]2C)cc1
342078163	ZINC000617964348	ref	4.15	-7.63	0	253.342	1.651	1	3	5	C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1C[C@@H](OCC)C1
343993766	ZINC000599268676	mid	7.53	-43.37	1	258.362	1.13	1	3	9	CCC[N@@H+](CCCCC(=O)OC)CC(=O)N(C)C
398248391	ZINC000649442921	ref	7.32	-52.28	1	227.307	2.753	1	1	1	C[C@@H]1CC(=O)c2cccc(C3=CC[NH2+]CC3)c21
214184153	ZINC000337623880	ref	5.83	-11.46	0	286.335	2.022	1	5	7	O=C(CCOCC1CC1)Nc1cnccc1-n1cccn1
230236159	ZINC000336790188	ref	-3.51	-8.12	0	259.35	-1.564	2	5	6	C[C@@H](O)CN(CCO)CC(=O)N1CCN(C)CC1
187169193	ZINC000125085520	mid	5.17	-10.34	0	276.38	1.838	1	3	5	COc1ccc(CCCC(=O)N2CCNC[C@H]2C)cc1
342078164	ZINC000617964246	ref	5.0	-11.49	0	277.368	1.763	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2cnn3c2C[C@H](C)CC3)C1
197591885	ZINC000290094039	ref	3.29	-9.52	0	284.385	1.282	1	5	5	CCCCN(C)C(=O)C(=O)N[C@H](C)c1nnc(C)s1
197591887	ZINC000290093839	ref	3.04	-11.48	0	251.359	1.948	0	6	5	CC(C)n1cc(CN(C)Cc2nccs2)nn1
342078165	ZINC000625289875	ref	3.44	-10.88	0	271.386	1.586	1	4	5	Cc1ncc(S(=O)(=O)NC2(CC(C)C)CC2)n1C
342078166	ZINC000608845901	ref	4.04	-13.38	0	278.308	1.326	2	4	4	COC(=O)c1ccc(NC(=O)C(C)(C)NC(C)=O)cc1
342078167	ZINC000050951713	ref	6.78	-87.11	2	281.444	1.614	3	1	6	CC[NH+]1CCC(CNC(=O)CCC2CC[NH2+]CC2)CC1
230236166	ZINC000336790188	mid	-1.75	-34.52	1	259.35	-1.564	3	4	6	C[C@@H](O)C[N@H+](CCO)CC(=O)N1CCN(C)CC1
230236172	ZINC000336790188	mid	-1.32	-33.81	1	259.35	-1.564	3	4	6	C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CCN(C)CC1
342078168	ZINC000625291990	ref	3.09	-13.28	0	294.399	1.05	1	5	5	CCn1cc(C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c(C)n1
342078169	ZINC000625291990	low	4.97	-47.92	1	294.399	1.05	2	4	5	CCn1cc(C(=O)N[C@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1
342078170	ZINC000050949688	ref	6.51	-85.07	2	281.444	1.613	3	1	6	CC(C)[N@@H+]1CC[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1
342078171	ZINC000050949688	mid	6.48	-84.84	2	281.444	1.613	3	1	6	CC(C)[N@H+]1CC[C@H](CNC(=O)CCC2CC[NH2+]CC2)C1
342078172	ZINC000608845828	ref	5.98	-7.71	0	283.368	1.605	0	4	3	CCOC(=O)[C@H]1CCCN(C(=O)C2(C)CCOCC2)C1
342078173	ZINC000625290034	ref	5.1	-17.74	0	272.348	1.818	2	2	2	C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CNC(=O)c2ccccc21
342078174	ZINC000625292010	ref	4.18	-9.76	0	284.4	1.027	1	4	7	CCO[C@H](C(=O)N[C@H](C)[C@H](C)N1CCOCC1)C1CC1
342078175	ZINC000625292010	low	6.01	-42.7	1	284.4	1.027	2	3	7	CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C1CC1
365633102	ZINC000336550616	ref	5.01	-39.78	1	258.774	2.409	0	4	2	Clc1cnc(CN2CC[C@]3(CCOC3)C2)s1
365633110	ZINC000336550616	low	5.07	-39.57	1	258.774	2.409	1	3	2	Clc1cnc(C[N@@H+]2CC[C@]3(CCOC3)C2)s1
365633119	ZINC000336550616	low	5.01	-39.78	1	258.774	2.409	1	3	2	Clc1cnc(C[N@H+]2CC[C@]3(CCOC3)C2)s1
343993767	ZINC000079913784	ref	7.49	-18.97	0	296.355	2.392	1	5	4	N#CCc1cccc(C(=O)NCc2cn3ccsc3n2)c1
187169194	ZINC000125082109	ref	9.66	-39.93	1	294.826	3.061	1	1	2	Cc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C
187169195	ZINC000125082109	mid	8.95	-32.07	1	294.826	3.061	1	1	2	Cc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C
343993775	ZINC000079920754	ref	5.68	-15.44	0	275.352	2.295	1	4	8	CC(C)C[C@@H](C#N)NC(=O)CCCOc1cccnc1
187169196	ZINC000125082109	high	6.56	-5.04	0	294.826	3.061	0	2	2	Cc1ccc(Cl)cc1C(=O)N(C)[C@@H]1CCN(C)C[C@@H]1C
187169197	ZINC000125079781	ref	8.34	-45.18	1	255.365	3.07	1	2	4	CCn1nccc1C[NH2+][C@H]1CCCc2ccccc21
187169198	ZINC000125079781	high	7.29	-5.75	0	255.365	3.07	1	3	4	CCn1nccc1CN[C@H]1CCCc2ccccc21
187169199	ZINC000125080703	ref	3.52	-11.41	0	250.273	2.187	2	3	4	CCC[C@](C)(O)C(=O)Nc1ccc(F)c(C#N)c1
187169200	ZINC000125084241	ref	6.35	-13.99	0	290.388	2.775	0	4	5	COc1ccc(C(=O)N(C)CCc2ncc(C)s2)cc1
187169201	ZINC000125086136	ref	5.47	-10.17	0	288.391	2.127	2	2	5	CC1(CNC(=O)NCCC2Cc3ccccc3C2)COC1
282122201	ZINC000336790783	ref	6.48	-101.58	2	254.418	2.408	2	1	6	CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC
342078176	ZINC000625291834	ref	7.69	-18.67	0	277.372	1.054	0	5	4	Cc1nnc(N2CCC[C@H]2C(=O)N(C)C)n1CC1CC1
187169203	ZINC000125088315	ref	7.55	-47.82	1	267.735	2.856	1	2	6	Fc1c(Cl)cccc1C[NH2+]CCCn1cccn1
342078177	ZINC000617964335	ref	4.3	-17.29	0	251.33	1.129	1	4	6	CCO[C@@H]1C[C@@H](NC(=O)Cc2ccn(CC)n2)C1
342078178	ZINC000608846558	ref	3.09	-11.03	0	299.352	1.173	2	6	5	CCOC(=O)c1csc(NC(=O)C(C)(C)NC(C)=O)n1
342078179	ZINC000617964272	ref	4.77	-12.24	0	265.357	1.597	1	4	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](C)c2cnn(C)c2)C1
187169204	ZINC000125088315	high	6.16	-9.63	0	267.735	2.856	1	3	6	Fc1c(Cl)cccc1CNCCCn1cccn1
178305797	ZINC000278716477	ref	10.44	-16.43	0	242.322	3.022	0	3	4	Cc1cc2ncn(CC(=O)CC3CC3)c2cc1C
187169205	ZINC000125090654	ref	8.1	-7.39	0	263.381	2.593	0	2	3	O=C(C(C1CC1)C1CC1)N1CCO[C@@H]2CCCC[C@@H]21
365633129	ZINC000336550389	ref	7.17	-11.28	0	295.264	2.334	0	3	3	O=C(c1cnn(CCF)c1)N1CCc2c(F)cc(F)cc21
365633104	ZINC000354703284	mid	7.36	-43.39	1	252.358	1.106	1	2	3	CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C
365633108	ZINC000354703284	high	6.2	-10.42	0	252.358	1.106	0	3	3	CCO[C@@H]1C[C@@H]1C(=O)N1C[C@H]2CCCN2C[C@H]1C
365633114	ZINC000354703164	ref	3.4	-11.7	0	280.372	1.39	2	5	5	Cc1nn(C)c(N)c1C(=O)NCCC[C@H]1CCCCO1
349534527	ZINC000621493897	ref	7.31	-9.89	0	262.344	3.109	1	1	5	CN(CCC(C)(C)C)C(=O)NCC[C@H]1CC1(F)F
178300664	ZINC000237159623	high	3.8	-14.54	0	362.474	1.591	3	4	8	COCCNCC(=O)N1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1
398248395	ZINC000650869838	ref	4.61	-11.58	0	292.383	1.549	1	4	3	Cn1nccc1[C@H]1COCCN1C(=O)NC[C@@H]1CC1(C)C
178300671	ZINC000237162166	ref	2.95	-50.34	1	364.471	1.979	1	6	5	C[NH2+]C1CCN(C(=O)c2sc3nc(COC)nc(OC)c3c2C)CC1
365633122	ZINC000639790097	ref	1.88	-13.16	0	278.352	1.409	3	3	5	O=C(NC[C@@H](O)C1CCOCC1)c1c[nH]cc1C1CC1
178300675	ZINC000237173480	ref	4.98	-44.69	1	352.866	1.597	3	2	6	C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)C1
349534530	ZINC000621494285	ref	8.73	-10.5	0	294.345	3.108	1	1	3	Cc1ccc2c(c1)CCN(C(=O)NCC[C@H]1CC1(F)F)C2
349534533	ZINC000621493668	ref	9.13	-11.64	0	296.361	3.224	1	1	6	Cc1ccccc1CCN(C)C(=O)NCC[C@@H]1CC1(F)F
349534537	ZINC000621491376	ref	7.13	-9.71	0	296.386	3.412	1	2	5	COc1ccc(F)c(CNC(=O)N(C)CCC(C)(C)C)c1
349534541	ZINC000621493469	ref	7.75	-9.38	0	274.355	3.252	1	1	4	CC[C@@H]1CC[C@H](C)N(C(=O)NCC[C@H]2CC2(F)F)C1
349534543	ZINC000621492925	ref	4.32	-14.98	0	298.346	3.189	2	4	4	C[C@@H]1CC[C@@H]1NC(=O)Nc1ccc(Oc2cccnn2)cc1
190493436	ZINC000269426396	ref	5.98	-9.94	0	273.163	2.324	1	2	5	O=C(NCCCc1ccccn1)[C@@H]1CC1(Cl)Cl
349534546	ZINC000621493370	ref	7.79	-9.79	0	288.382	3.499	1	1	4	CC(C)(C)C[C@@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)C1
365633127	ZINC000354701936	ref	2.62	-9.79	0	264.325	1.427	2	3	5	CO[C@@]1(CNC(=O)c2cc[nH]c2C2CC2)CCOC1
178300677	ZINC000237173829	ref	7.13	-49.46	1	350.459	1.666	1	5	8	COC(=O)COc1c(C)cc(C[NH2+][C@H](C)CN2CCOCC2)cc1C
178305800	ZINC000278716477	low	10.92	-38.01	1	242.322	3.022	0	2	4	Cc1cc2[nH+]cn(CC(=O)CC3CC3)c2cc1C
349534550	ZINC000621492913	ref	7.82	-10.24	0	280.318	3.318	1	1	3	C[C@@H]1c2ccccc2CN1C(=O)NCC[C@@H]1CC1(F)F
168365991	ZINC000083275063	ref	3.25	-41.09	1	182.292	1.91	1	2	3	C[C@@H]([NH3+])Cc1csc(C2CC2)n1
168365994	ZINC000020216940	ref	-1.01	-46.41	1	152.197	0.462	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1cccnc1
343993769	ZINC000599268676	high	5.5	-11.79	0	258.362	1.13	0	4	9	CCCN(CCCCC(=O)OC)CC(=O)N(C)C
343993772	ZINC000599268748	ref	10.24	-91.92	2	270.417	1.993	2	2	8	COC(=O)CCCC[NH+]1CCC(CC[NH+](C)C)CC1
214184158	ZINC000337623880	mid	6.28	-37.08	1	286.335	2.022	1	4	7	O=C(CCOCC1CC1)Nc1c[nH+]ccc1-n1cccn1
295666230	ZINC000335509840	ref	8.29	-47.26	-1	285.409	2.376	0	4	3	CS[C@H]1CCCCN(C(=O)C2(C(=O)[O-])CCCC2)C1
398248396	ZINC000649443031	ref	7.77	-40.87	1	221.369	3.422	1	1	1	CC(C)(C)c1ccc(C2=CC[NH2+]CC2)s1
214184168	ZINC000337624184	ref	6.0	-7.1	0	268.307	3.153	2	1	4	Cc1ccccc1[C@H](C)NC(=O)NC1(C(F)F)CC1
214184172	ZINC000337621783	ref	5.97	-11.34	0	285.376	2.175	1	6	4	Cc1nc(C)c(CCNc2ncnc3ccncc23)s1
290622387	ZINC000334934235	ref	5.58	-51.13	1	265.401	1.96	2	1	1	C[C@H]1CC[C@@H]1NC(=O)N1CCC2(CC[NH2+]CC2)CC1
342078180	ZINC000625292006	ref	1.33	-9.08	0	292.379	1.54	2	4	4	Cc1cccc(O)c1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1
343993776	ZINC000599270668	ref	6.74	-15.81	0	279.283	1.068	0	4	8	COC(=O)[C@H](C)CN(C(=O)COCC(F)F)C1CC1
365633133	ZINC000354702406	ref	8.96	-43.3	1	250.386	1.977	1	1	4	C[C@@H]1C[C@@H]1CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1
365633136	ZINC000354702071	ref	7.01	-17.01	0	298.383	1.235	1	4	6	CC(=O)N1CCCC[C@@H]1C(=O)NCCCC(=O)OC(C)C
365633142	ZINC000354702766	ref	5.45	-16.39	0	289.379	1.693	1	3	3	CCc1ccc(C(=O)NC2CCN(C(C)=O)CC2)c(C)n1
365633145	ZINC000354703570	ref	4.17	-45.58	1	295.427	1.331	3	2	8	O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCC1CCCC1
365633153	ZINC000354703736	ref	3.95	-45.15	1	281.4	1.034	2	2	4	C[C@H]1CCC[C@@H](C)N1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365633162	ZINC000639790075	ref	1.48	-12.03	0	282.365	1.746	1	6	8	CN(Cc1ccns1)C[C@H](O)COCc1ccco1
197591882	ZINC000162792696	ref	8.22	-8.72	0	323.433	2.737	0	3	3	C[C@@H](Cc1ccccc1F)C(=O)N1CCS[C@H]2COCC[C@@H]21
365633167	ZINC000639790075	mid	3.89	-48.59	1	282.365	1.746	2	5	8	C[N@@H+](Cc1ccns1)C[C@H](O)COCc1ccco1
398248402	ZINC000649443019	ref	6.45	-11.05	0	201.229	1.417	0	4	1	Cn1cnc(-c2ccc3c(c2)CCO3)n1
342078181	ZINC000625292006	low	3.33	-39.27	1	292.379	1.54	3	3	4	Cc1cccc(O)c1C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1
342078182	ZINC000625292006	high	2.1	-51.23	-1	292.379	1.54	1	4	4	Cc1cccc([O-])c1C(=O)N[C@@H](C)[C@H](C)N1CCOCC1
342078183	ZINC000625289705	ref	3.52	-9.69	0	268.357	1.184	0	3	0	C[C@H]1CN(C(=O)N2C[C@@H]3COC[C@@]3(C)C2)C[C@@H](C)O1
342078184	ZINC000625291988	ref	2.61	-12.6	0	294.399	1.05	1	5	5	CCn1cc(C(=O)N[C@H](C)[C@@H](C)N2CCOCC2)c(C)n1
343994958	ZINC000114416484	ref	8.02	-8.46	0	212.296	3.342	1	1	3	C=C(c1ncc[nH]1)c1cccc(C)c1CC
365633134	ZINC000617424606	ref	3.73	-21.71	0	298.306	0.604	2	6	2	C[C@@H]1C[C@H](NC(=O)c2ccnc3c2CC(=O)N3)c2ncnn21
365633144	ZINC000617415428	ref	5.6	-44.53	1	250.346	0.806	2	3	3	CCc1c(C(=O)N[C@H]2CCC[N@H+](C)C2)cnn1C
365633152	ZINC000617415428	mid	5.08	-43.09	1	250.346	0.806	2	3	3	CCc1c(C(=O)N[C@H]2CCC[N@@H+](C)C2)cnn1C
365633164	ZINC000617415428	mid	2.72	-9.82	0	250.346	0.806	1	4	3	CCc1c(C(=O)N[C@H]2CCCN(C)C2)cnn1C
342078185	ZINC000625291988	low	4.95	-47.13	1	294.399	1.05	2	4	5	CCn1cc(C(=O)N[C@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1
342078186	ZINC000077824656	ref	1.89	-10.17	0	270.373	1.263	3	3	7	O=C(NCCOCC1CC1)NC[C@H]1CCCC[C@H]1O
342078187	ZINC000625289943	ref	3.53	-10.42	0	276.34	1.064	0	4	0	C[C@H]1CN(C(=O)N2CCc3nccnc3C2)C[C@@H](C)O1
187169206	ZINC000125082664	ref	6.09	-10.67	0	285.294	2.199	0	4	4	CC(C)[C@]1(C)CC(=O)N(Cc2nccn2C(F)F)C1=O
342078188	ZINC000617964190	ref	5.6	-11.5	0	251.33	1.518	1	4	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1
342078189	ZINC000617964190	low	6.28	-37.59	1	251.33	1.518	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2)C1
342078190	ZINC000617964214	ref	5.35	-10.06	0	261.325	1.651	1	4	5	CCO[C@@H]1C[C@@H](NC(=O)c2cncnc2C2CC2)C1
342078191	ZINC000625290033	ref	4.72	-17.83	0	272.348	1.818	2	2	2	C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CNC(=O)c2ccccc21
342078192	ZINC000617964219	ref	4.55	-19.87	0	290.363	1.871	2	3	6	CCO[C@@H]1C[C@@H](NC(=O)Cc2cccc(NC(C)=O)c2)C1
187169207	ZINC000125083827	ref	2.37	-8.64	0	280.368	2.758	3	3	7	CCCOc1ccc(NC(=O)N[C@](C)(CC)CO)cc1
342078193	ZINC000617964271	ref	4.77	-12.21	0	265.357	1.597	1	4	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@H](C)c2cnn(C)c2)C1
168365996	ZINC000049689257	ref	1.39	-39.07	1	173.256	0.775	1	2	4	C[C@@H]([NH3+])[C@@H](C)OC[C@@H]1CCOC1
342078194	ZINC000618606838	ref	4.32	-17.21	0	276.327	1.843	2	2	7	CC(C)NC(=O)CCCC(=O)NC[C@]1(C)CC1(F)F
342078195	ZINC000625291654	ref	4.34	-10.94	0	291.438	1.489	0	4	4	CN(CC1=CCSC1)S(=O)(=O)[C@@H]1COC(C)(C)C1
342078196	ZINC000625289586	ref	3.52	-9.54	0	271.386	1.586	1	4	5	CC[C@@](C)(NS(=O)(=O)c1cnc(C)n1C)C1CC1
342078197	ZINC000625289874	ref	8.9	-46.9	1	296.415	1.008	1	4	10	CC[NH+](CC)CCN(CCOC)C(=O)Cn1cncc1C
342078198	ZINC000625289874	mid	9.41	-79.63	2	296.415	1.008	1	3	10	CC[NH+](CC)CCN(CCOC)C(=O)Cn1c[nH+]cc1C
342078199	ZINC000625289703	ref	3.92	-10.12	0	268.357	1.184	0	3	0	C[C@H]1CN(C(=O)N2C[C@@H]3COC[C@]3(C)C2)C[C@@H](C)O1
342595047	ZINC000590773681	ref	5.48	-14.91	0	294.351	1.271	1	5	9	CCOC(=O)COCCNC(=O)C[C@H](C)c1ccncc1
342595048	ZINC000590773716	ref	5.93	-12.76	0	271.357	1.653	1	4	7	CCOC(=O)COCCNC(=O)C1(C)CCCCC1
342595049	ZINC000590773532	ref	6.78	-9.03	0	257.305	1.536	0	3	2	COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@H](F)C2)C1
398248397	ZINC000651460510	ref	7.66	-36.21	1	284.403	3.405	2	1	6	CC[C@@H]([NH2+][C@H](C)CC(=O)NC)c1cccc2ccccc12
398248401	ZINC000651460512	ref	7.64	-36.42	1	284.403	3.405	2	1	6	CC[C@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc2ccccc12
398248406	ZINC000651460828	ref	8.25	-38.37	1	259.393	3.326	1	1	4	CCC1(C[NH2+][C@H]2c3ccccc3CC[C@H]2C)COC1
398248408	ZINC000651460202	ref	8.41	-7.86	0	250.386	3.149	1	1	2	CN(C(=O)NC1CC2(CCC2)C1)C1CC(C)(C)C1
398248412	ZINC000651460006	ref	8.71	-9.43	0	294.345	3.439	1	1	3	CN(Cc1c(F)cccc1F)C(=O)NC1CC2(CCC2)C1
398248418	ZINC000651460829	ref	8.13	-39.0	1	259.393	3.326	1	1	4	CCC1(C[NH2+][C@H]2c3ccccc3CC[C@@H]2C)COC1
398248422	ZINC000651460511	ref	7.61	-35.67	1	284.403	3.405	2	1	6	CC[C@H]([NH2+][C@H](C)CC(=O)NC)c1cccc2ccccc12
398248427	ZINC000651459580	ref	8.43	-7.97	0	286.375	3.411	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC=C(c2ccco2)C1
398248431	ZINC000651459971	ref	7.66	-7.43	0	250.386	3.005	1	1	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)[C@@H](C)[C@H]1C
398248436	ZINC000651460794	ref	9.37	-9.89	0	294.464	3.39	1	2	1	O=C(NC1CC2(CCC2)C1)N1CCSC2(CCC2)CC1
398248440	ZINC000651460640	ref	8.84	-9.57	0	294.464	3.248	1	2	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@]2(CCSC2)C1
398248445	ZINC000651459414	ref	8.52	-9.51	0	288.366	3.267	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC(c2ccccc2F)C1
398248447	ZINC000651460228	ref	9.5	-7.34	0	286.419	3.173	1	1	1	C[C@@]12CN(C(=O)NC3CC4(CCC4)C3)C[C@H]1[C@@H]1C=C[C@H]2C1
197591901	ZINC000290093142	ref	5.32	-13.33	0	299.783	2.396	0	5	5	CC(=O)N(C)CCc1noc(Cc2ccc(Cl)s2)n1
398248451	ZINC000651459727	ref	7.58	-7.68	0	272.339	3.148	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCCC[C@H]1C(F)F
398248457	ZINC000651460545	ref	8.37	-11.17	0	276.38	3.452	1	2	4	CCN(Cc1occc1C)C(=O)NC1CC2(CCC2)C1
398248461	ZINC000651460255	ref	7.53	-6.8	0	252.402	3.443	2	1	3	C[C@@H](CC(C)(C)C)NC(=O)NC1CC2(CCC2)C1
349534528	ZINC000093279158	ref	3.92	-33.86	1	256.346	0.771	2	3	4	COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H](C)C(N)=O)C1
398248465	ZINC000651460641	ref	8.96	-9.86	0	294.464	3.248	1	2	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@@]2(CCSC2)C1
365633137	ZINC000641596271	ref	4.08	-13.93	0	266.366	1.814	1	3	7	O=S(=O)(CCC1CC1)NC/C=C/c1cccnc1
214184180	ZINC000278483207	ref	5.05	-6.6	0	322.405	2.04	1	4	5	COCC[C@@H](NC(=O)C(=O)N1CCC(C)CC1)c1ccc(C)o1
282122204	ZINC000248971239	mid	3.76	-32.83	1	306.406	1.152	3	3	7	COCc1ccc(CNC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1
214184185	ZINC000278482772	ref	3.52	-37.07	1	318.248	2.277	2	3	5	CC[C@H](CO)[NH+]1CCN(Cc2ccnc(Cl)c2Cl)CC1
282122211	ZINC000248971239	high	1.59	-9.33	0	306.406	1.152	2	4	7	COCc1ccc(CNC(=O)CN2CC[C@H](C)[C@@H]2CO)cc1
342595050	ZINC000590772892	ref	5.19	-7.89	0	292.379	1.628	1	4	4	CO[C@@H]1COCC[C@@H]1CNC(=O)[C@]1(C#N)CC12CCCC2
197591896	ZINC000162789461	ref	3.09	-13.95	0	311.407	1.578	1	5	6	CC(C)CN(CC(N)=O)C(=O)c1csc([C@H]2CCCO2)n1
342595051	ZINC000590773608	ref	7.39	-13.15	0	297.395	1.921	1	4	8	CCOC(=O)COCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C
197591900	ZINC000162795215	ref	7.56	-11.81	0	313.195	3.072	1	3	6	C=CCCO[C@H](C)C(=O)Nc1ncc(C)cc1Br
342595052	ZINC000590773023	ref	8.38	-8.55	0	265.353	1.977	0	3	2	CC(C)(C)OC(=O)C1CN(C(=O)[C@H]2CC23CCC3)C1
342595053	ZINC000590773602	ref	5.51	-15.95	0	283.324	1.514	1	5	7	CCOC(=O)COCCNC(=O)c1c(C)oc(C)c1C
197591905	ZINC000162789271	ref	9.43	-41.58	1	322.399	2.916	2	1	5	C[NH+]1CCC(CCNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1
197591907	ZINC000162788325	ref	5.37	-10.17	0	311.407	2.189	1	5	4	CC[C@@H](NC(=O)N1CCC(C(=O)OC)CC1)c1nccs1
214184189	ZINC000278482772	mid	1.77	-5.81	0	318.248	2.277	1	4	5	CC[C@H](CO)N1CCN(Cc2ccnc(Cl)c2Cl)CC1
214184192	ZINC000278483654	ref	5.45	-11.55	0	307.39	2.381	1	4	6	COc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C(C)C)cc1OC
214184199	ZINC000278483587	ref	7.98	-10.36	0	312.413	3.216	1	3	8	Cc1cccc(OCCCNC(=O)CCc2ccccn2)c1C
214184203	ZINC000278483146	ref	6.03	-15.9	0	323.784	1.618	2	5	7	COC[C@H](NC(=O)NCCn1cncn1)c1ccc(Cl)cc1
214184206	ZINC000278483980	ref	6.77	-9.23	0	320.78	2.162	1	5	3	Cn1cncc1C(=O)Nc1cc(Cl)ccc1N1CCOCC1
214184210	ZINC000278484709	ref	8.01	-14.5	0	320.408	2.726	1	3	4	CC1(C)CC[C@@H](C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)O1
214184214	ZINC000278483096	ref	6.4	-7.06	0	300.377	3.491	0	3	3	Cc1nc(F)ccc1CN1C[C@H](c2ccccc2)OC[C@@H]1C
214184218	ZINC000278483096	low	8.58	-46.03	1	300.377	3.491	1	2	3	Cc1nc(F)ccc1C[N@H+]1C[C@H](c2ccccc2)OC[C@@H]1C
214184181	ZINC000293561804	high	4.62	-11.57	0	356.426	0.76	1	6	5	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(=O)n(-c2ccccc2)n1
214184186	ZINC000293566761	ref	1.27	-7.85	0	366.414	0.951	2	6	5	COCC1(O)CCN(C(=O)C(=O)Nc2cc(OC)c(C)c(OC)c2)CC1
365633138	ZINC000336550246	ref	4.21	-12.9	0	294.42	2.4	1	4	2	O=C([C@H]1CCC[C@@H](O)C1)N1CCC(c2nccs2)CC1
365633146	ZINC000336550570	ref	4.77	-12.83	0	275.352	2.349	2	3	3	CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)nc1
178300681	ZINC000237158259	ref	5.45	-10.7	0	373.419	1.976	1	3	7	COCC[NH2+]CC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1
214184191	ZINC000293568186	ref	0.63	-15.41	0	355.416	0.089	2	5	5	CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CC[C@H]2COC)c1C
178300683	ZINC000237158259	mid	8.7	-108.26	2	373.419	1.976	2	2	7	COCC[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)CC1
214184193	ZINC000293560567	ref	0.79	-21.66	0	355.46	0.905	1	5	7	COC[C@@H]1CCN1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
178300685	ZINC000237158259	mid	8.67	-106.8	2	373.419	1.976	2	2	7	COCC[NH2+]CC(=O)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1
178300688	ZINC000237158259	high	5.45	-10.7	0	373.419	1.976	1	4	7	COCCNCC(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1
178300690	ZINC000237173204	ref	6.0	-50.42	1	354.454	1.706	4	3	9	C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CNc2ccccc2)c1
178300693	ZINC000237173204	high	3.52	-14.8	0	354.454	1.706	3	4	9	CN(C)CCNC(=O)c1cccc(CNC(=O)CNc2ccccc2)c1
398248400	ZINC000650870646	ref	3.17	-8.26	0	282.384	1.527	2	3	5	CC1(CNC(=O)N[C@H](C2CCOCC2)C2CC2)COC1
214184196	ZINC000293560567	low	4.25	-46.73	1	355.46	0.905	2	4	7	COC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
365633151	ZINC000336550733	ref	5.12	-16.29	0	288.347	2.034	1	3	3	CC(=O)N(C)c1cccc(NC(=O)[C@@H]2C[C@]23CCOC3)c1
398248404	ZINC000650870553	ref	3.34	-8.97	0	256.346	1.232	1	3	3	CC[C@@H]1CN(C(=O)NCC2(C)COC2)[C@H](C)CO1
178300701	ZINC000237169685	ref	4.71	-14.55	0	361.467	1.844	2	4	8	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)CNc2ccccc2)cc1
178300705	ZINC000237164974	ref	5.1	-46.23	1	357.248	1.585	1	3	6	COCC[NH2+]CC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1
185087676	ZINC000096074587	mid	2.86	-10.76	0	289.379	1.327	0	4	1	Cc1ccc(C(=O)N2CCC3(CC2)COCCN3C)cn1
398248411	ZINC000650870298	ref	2.77	-10.47	0	298.358	1.646	3	3	8	COc1cccc(C[C@H](C)NC(=O)N[C@H](CO)CCF)c1
342595054	ZINC000590773556	ref	5.33	-18.15	0	267.26	1.821	1	4	3	CNc1ccc(C(=O)N2CC[C@@H](F)C2)cc1[N+](=O)[O-]
187169208	ZINC000125093109	ref	7.49	-7.25	0	290.363	1.581	1	4	6	COC(=O)C1(C(=O)NC[C@H](C)N(C)c2ccccc2)CC1
342595055	ZINC000590773610	ref	7.39	-13.48	0	297.395	1.921	1	4	8	CCOC(=O)COCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C
187169209	ZINC000125096008	ref	4.6	-50.17	1	278.249	2.069	2	1	4	CNC(=O)[C@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
187169210	ZINC000125096008	mid	3.33	-9.16	0	278.249	2.069	2	2	4	CNC(=O)[C@H](C)NCc1cc(F)cc(C(F)(F)F)c1
282122205	ZINC000336790783	mid	7.25	-104.58	2	254.418	2.408	2	1	6	CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)OC
342595056	ZINC000590772991	ref	5.9	-11.37	0	291.351	1.507	0	5	2	Cc1cc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)c(C)nn1
342595057	ZINC000590772929	ref	6.38	-9.67	0	281.352	1.213	0	4	2	CC(C)(C)OC(=O)C1CN(C(=O)[C@@H]2C[C@]23CCOC3)C1
187169212	ZINC000125093002	ref	7.37	-49.45	1	281.762	3.233	2	1	6	Cc1n[nH]cc1CCC[NH2+]Cc1cccc(Cl)c1F
187169213	ZINC000125093002	high	6.0	-9.4	0	281.762	3.233	2	2	6	Cc1n[nH]cc1CCCNCc1cccc(Cl)c1F
187169214	ZINC000125097727	ref	6.54	-46.95	1	284.407	2.267	1	3	6	CCn1nccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1
187169215	ZINC000125097727	mid	7.6	-42.68	1	284.407	2.267	2	3	6	CCn1nccc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C1
187169216	ZINC000125097727	mid	7.74	-42.91	1	284.407	2.267	2	3	6	CCn1nccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C1
187169217	ZINC000125097727	high	5.27	-6.46	0	284.407	2.267	1	4	6	CCn1nccc1CN[C@@H]1CCN(Cc2ccccc2)C1
187169218	ZINC000125100929	ref	7.61	-38.74	1	294.37	2.066	1	2	4	CC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C
282122210	ZINC000336790783	high	5.48	-30.78	1	254.418	2.408	2	2	6	CCC(CC)(CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)OC
365633141	ZINC000576591366	low	4.46	-38.66	1	247.298	1.905	2	2	4	Cc1c[nH]c(C(C)(C)NC(=O)Cc2ccco2)[nH+]1
365633147	ZINC000576591541	ref	2.69	-11.6	0	237.259	0.544	2	4	4	COC(=O)CC1(NC(=O)c2c[nH]nc2C)CC1
187169219	ZINC000125100929	high	5.01	-11.84	0	294.37	2.066	0	3	4	CC[C@@H](C(=O)N1CCO[C@@H](c2ccccc2F)C1)N(C)C
342595058	ZINC000590773649	ref	4.57	-12.57	0	283.246	1.025	1	4	7	CCOC(=O)COCCNC(=O)C1(C(F)(F)F)CC1
187169220	ZINC000125093032	ref	4.76	-9.49	0	280.176	2.652	1	3	2	O=C(c1cc(Cl)sc1Cl)N1CCC[C@H]1CO
282122215	ZINC000336790783	high	6.33	-28.98	1	254.418	2.408	2	2	6	CCC(CC)(CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)OC
365633159	ZINC000576589416	ref	3.17	-36.45	1	227.348	1.72	2	2	7	CCC[C@@H](C)[C@H](CO)[NH2+]CC1=CCCOC1
365633143	ZINC000641596374	ref	2.36	-15.36	0	284.381	1.297	1	4	8	COC[C@@H](C)CS(=O)(=O)NC/C=C/c1cccnc1
365633149	ZINC000641596542	ref	3.61	-10.41	0	295.408	1.661	1	3	5	C[C@H]1CCCN(S(=O)(=O)NC/C=C\c2cccnc2)C1
349534531	ZINC000621233809	ref	5.6	-9.39	0	277.368	2.062	0	4	5	Cc1nccnc1C(=O)N1CC[C@@H](OCCC(C)C)C1
365633156	ZINC000641596568	ref	4.13	-10.91	0	295.408	1.804	1	3	5	C[C@@H]1CCCCN1S(=O)(=O)NC/C=C/c1cccnc1
365633163	ZINC000641596373	ref	2.35	-15.34	0	284.381	1.297	1	4	8	COC[C@H](C)CS(=O)(=O)NC/C=C/c1cccnc1
365633166	ZINC000641596563	ref	2.32	-17.39	0	294.376	1.334	1	4	5	O=S(=O)(NC/C=C/c1cccnc1)[C@H]1C[C@@H]2CC[C@H]1O2
365633174	ZINC000641601947	ref	1.7	-9.02	0	256.256	1.057	1	4	2	C[C@H]1CN(c2nccnc2C(N)=O)CCC1(F)F
432002727	ZINC000062064644	ref	8.55	-12.71	0	312.413	3.046	1	2	5	O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1
342078200	ZINC000625290029	ref	4.73	-17.79	0	272.348	1.818	2	2	2	C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CNC(=O)c2ccccc21
192037554	ZINC000273075790	low	9.58	-106.84	2	273.38	2.939	1	2	6	COc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1C
187169221	ZINC000125099362	ref	3.99	-10.13	0	294.395	2.074	2	3	8	COCCOCCNC(=O)NCc1c(C)cc(C)cc1C
214184183	ZINC000337623610	ref	5.12	-18.36	0	291.395	2.221	2	2	6	Cc1c[nH]cc1C(=O)N(CCC1CCCCC1)CC(N)=O
214184184	ZINC000337622347	ref	1.85	-8.63	0	283.284	0.379	1	6	7	Cc1ncc([N+](=O)[O-])cc1C(=O)N(C)CCOCCO
342078201	ZINC000050945428	ref	4.88	-49.23	1	261.369	1.52	2	2	6	O=C(CCC1CC[NH2+]CC1)NCCc1ccncc1
342078202	ZINC000625289973	ref	4.93	-35.34	1	255.406	1.173	2	2	3	C[C@H]1[C@@H](C)N(CC(=O)NCC(C)(C)C)CC[N@H+]1C
342078203	ZINC000625289973	mid	4.63	-33.98	1	255.406	1.173	2	2	3	C[C@H]1[C@@H](C)N(CC(=O)NCC(C)(C)C)CC[N@@H+]1C
342078204	ZINC000625289973	mid	2.72	-7.11	0	255.406	1.173	1	3	3	C[C@H]1[C@@H](C)N(CC(=O)NCC(C)(C)C)CCN1C
342078205	ZINC000625292012	ref	4.16	-9.84	0	284.4	1.027	1	4	7	CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)C1CC1
342078206	ZINC000625292012	low	6.04	-42.52	1	284.4	1.027	2	3	7	CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1
342078207	ZINC000625290031	ref	5.11	-17.71	0	272.348	1.818	2	2	2	C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CNC(=O)c2ccccc21
342078208	ZINC000625291912	ref	7.41	-10.96	0	280.372	1.238	0	6	5	COC[C@]1(C)CN(c2nnc(C)n2CC2CC2)CCO1
342078209	ZINC000617964265	ref	1.2	-16.84	0	277.28	1.627	1	6	5	CCO[C@@H]1C[C@@H](NC(=O)c2ncoc2-c2ccon2)C1
187169222	ZINC000125096604	ref	8.6	-50.88	1	274.408	2.392	1	1	5	CCCCc1ccc(CC(=O)N2CC[NH2+]C[C@H]2C)cc1
342078210	ZINC000617964230	ref	3.36	-15.31	0	292.36	1.887	2	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2cc3cc[nH]c(=O)c3s2)C1
342078211	ZINC000625290312	ref	3.74	-9.25	0	286.416	1.417	1	4	8	CCC[C@H](OCC)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1
365633158	ZINC000336550529	ref	3.79	-4.41	0	272.757	2.255	2	3	2	C[C@@H]1CC[C@@H]1NC(=O)C(=O)Nc1ccsc1Cl
342078212	ZINC000625290312	low	5.98	-43.09	1	286.416	1.417	2	3	8	CCC[C@H](OCC)C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1
187169223	ZINC000125096604	mid	7.28	-7.81	0	274.408	2.392	1	2	5	CCCCc1ccc(CC(=O)N2CCNC[C@H]2C)cc1
343994959	ZINC000139457184	low	3.96	-44.62	1	168.24	0.707	1	1	2	CCCN1C(=O)C2(CC2)[NH2+][C@@H]1C
365633165	ZINC000336550084	ref	4.77	-11.02	0	255.264	2.192	1	2	3	O=C(CCc1ccc(O)cc1)N1CCC(F)(F)C1
342078213	ZINC000608845531	ref	7.08	-16.12	0	263.322	1.673	0	6	5	COC(=O)CSCc1cn(-c2ccccc2)nn1
342078214	ZINC000625291647	ref	4.27	-15.52	0	250.27	1.926	1	4	6	CCc1csc(NC(=O)COCC(F)F)n1
342078215	ZINC000625290290	ref	3.43	-36.53	1	261.365	1.931	3	2	6	O[C@H](C[NH2+]C1(c2ccccc2)CC1)CC1(O)CCC1
342078216	ZINC000625290290	high	2.24	-4.82	0	261.365	1.931	3	3	6	O[C@H](CNC1(c2ccccc2)CC1)CC1(O)CCC1
342078217	ZINC000608846576	ref	4.81	-11.28	0	292.335	1.635	2	4	4	COC(=O)c1cccc(NC(=O)C(C)(C)NC(C)=O)c1C
214184190	ZINC000053458897	ref	4.45	-13.96	0	325.453	1.302	2	3	5	CC(C)C(=O)N1CCC(NC(=O)CNC(=O)CC(C)(C)C)CC1
187169224	ZINC000125098807	ref	7.96	-44.9	1	293.773	3.38	1	2	3	Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1cccc(Cl)c1F
214184195	ZINC000053454845	ref	3.48	-15.29	0	336.392	0.579	0	6	5	COCCN1C[C@H](C(=O)N2CCC(c3nc(C)no3)CC2)CC1=O
342078218	ZINC000617964215	ref	6.79	-39.78	1	280.412	1.935	2	2	5	CCO[C@@H]1C[C@@H](NC(=O)C2C[NH+](C3CCCCC3)C2)C1
192037555	ZINC000418432355	high	0.15	-54.51	1	242.367	0.365	3	2	5	CN(C)CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+]
342078219	ZINC000617964215	high	3.82	-11.35	0	280.412	1.935	1	3	5	CCO[C@@H]1C[C@@H](NC(=O)C2CN(C3CCCCC3)C2)C1
342078220	ZINC000618606836	ref	4.3	-17.26	0	276.327	1.843	2	2	7	CC(C)NC(=O)CCCC(=O)NC[C@@]1(C)CC1(F)F
342078221	ZINC000617964206	ref	3.84	-15.1	0	251.33	1.207	1	4	5	CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)c2ccnn2C)C1
342078222	ZINC000608846578	ref	4.83	-14.69	0	292.335	1.255	2	4	5	COC(=O)Cc1ccc(NC(=O)C(C)(C)NC(C)=O)cc1
342078223	ZINC000625289709	ref	3.88	-9.63	0	268.357	1.184	0	3	0	C[C@H]1CN(C(=O)N2C[C@H]3COC[C@]3(C)C2)C[C@@H](C)O1
342595059	ZINC000590773609	ref	7.69	-13.46	0	297.395	1.921	1	4	8	CCOC(=O)COCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C
365633169	ZINC000274353838	low	7.14	-95.35	2	292.402	1.432	2	2	4	CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC1
342595060	ZINC000590772928	ref	6.24	-9.48	0	281.352	1.213	0	4	2	CC(C)(C)OC(=O)C1CN(C(=O)[C@H]2C[C@@]23CCOC3)C1
342595061	ZINC000590773523	ref	6.5	-17.75	0	281.283	1.422	0	4	4	COC(=O)COc1ccc(C(=O)N2CC[C@H](F)C2)cc1
365633176	ZINC000274353838	high	2.29	-4.12	0	292.402	1.432	0	4	4	CCN1CCN([C@@H]2CCN(Cc3cncc(F)c3)C2)CC1
365633183	ZINC000274355455	ref	5.15	-12.26	0	264.233	1.251	0	6	2	O=C(Oc1ccc2c(c1)OCCO2)C1=COCCO1
342595062	ZINC000590773757	ref	5.04	-14.86	0	271.338	1.366	1	5	7	CCOC(=O)COCCNC(=O)c1csc(C)c1
365633196	ZINC000274353646	ref	4.87	-10.3	0	287.323	1.552	1	5	6	COCCN(Cc1ccccn1)C(=O)Nc1cncnc1
365633210	ZINC000274355901	ref	5.59	-45.05	1	275.356	1.472	3	3	4	O=C(Nc1cncnc1)NC1CC[NH+](CC2CC2)CC1
365633224	ZINC000274354356	ref	4.61	-12.98	0	298.346	1.316	1	5	4	O=C(Nc1cncnc1)[C@H]1CN(Cc2ccccc2)CCO1
342595063	ZINC000590773105	ref	6.75	-9.83	0	293.367	1.625	0	5	3	CCn1nc(C)cc1C(=O)N1CC(C(=O)OC(C)(C)C)C1
365633240	ZINC000274354356	low	6.7	-52.45	1	298.346	1.316	2	4	4	O=C(Nc1cncnc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1
365633244	ZINC000274354356	low	6.87	-56.7	1	298.346	1.316	2	4	4	O=C(Nc1cncnc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1
365633252	ZINC000274356683	ref	3.71	-40.29	1	276.336	1.032	2	3	6	C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H](C)O
365633261	ZINC000274353466	ref	1.72	-15.47	0	276.344	1.18	4	3	5	Cc1cc(C[C@H](C)NC(=O)NCc2c[nH]nc2C)[nH]n1
365633275	ZINC000274353466	mid	2.02	-13.51	0	276.344	1.18	4	3	5	Cc1cc(C[C@H](C)NC(=O)NCc2c[nH]nc2C)n[nH]1
365633284	ZINC000274353459	ref	3.83	-11.94	0	299.317	1.506	1	3	4	C[C@@H](O)C[C@@H]1COCCN1C(=O)Cc1cccc(F)c1F
342595064	ZINC000590772952	ref	1.21	-13.56	0	290.319	1.045	2	5	4	CO[C@H]1COCC[C@@H]1CNC(=O)c1cc(O)cc(C#N)c1
178300691	ZINC000359806064	ref	4.4	-12.03	0	241.298	2.217	2	4	3	Cc1cc2n[nH]cc2cc1NCc1cnn(C)c1
342595065	ZINC000590772952	mid	1.97	-36.48	-1	290.319	1.045	1	5	4	CO[C@H]1COCC[C@@H]1CNC(=O)c1cc([O-])cc(C#N)c1
214184197	ZINC000337623250	ref	-1.12	-10.4	0	282.3	0.14	3	5	5	C[C@@H](NC(=O)NCc1cc(C(N)=O)no1)[C@H]1CCCO1
398248407	ZINC000649442988	ref	0.94	-49.47	1	238.312	0.711	2	2	2	NS(=O)(=O)c1cccc(C2=CC[NH2+]CC2)c1
178300700	ZINC000004291313	ref	4.44	-8.74	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C)N2
192339507	ZINC000421442561	ref	6.24	-14.89	0	249.257	1.443	0	3	5	CCN(CCC(=O)OC)C(=O)[C@]1(C)CC1(F)F
187169225	ZINC000125098807	mid	6.57	-8.05	0	293.773	3.38	1	3	3	Cn1ncc2c1CCC[C@@H]2NCc1cccc(Cl)c1F
214724999	ZINC000338696149	ref	7.57	-8.25	0	287.359	2.349	0	3	4	Cc1ccc(C(=O)CCC(=O)N2CCOCC23CC3)cc1
365633171	ZINC000639790075	mid	3.9	-48.89	1	282.365	1.746	2	5	8	C[N@H+](Cc1ccns1)C[C@H](O)COCc1ccco1
342595066	ZINC000590773077	ref	5.78	-9.17	0	283.368	1.603	0	4	2	CC(C)(C)OC(=O)C1CN(C(=O)C2(C)CCOCC2)C1
342595067	ZINC000590772927	ref	6.28	-10.44	0	281.352	1.213	0	4	2	CC(C)(C)OC(=O)C1CN(C(=O)[C@H]2C[C@]23CCOC3)C1
398248414	ZINC000649442952	ref	3.25	-48.02	1	231.295	1.359	2	2	2	OC[C@@H]1Cc2cc(C3=CC[NH2+]CC3)ccc2O1
178300708	ZINC000048356730	ref	7.2	-8.73	0	226.279	3.748	1	2	1	Cc1cc2nc(-c3ccoc3C)[nH]c2cc1C
365633177	ZINC000354703732	ref	4.33	-44.4	1	281.4	1.034	2	2	4	C[C@@H]1CCC[C@@H](C)N1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
178300712	ZINC000045955702	ref	6.03	-7.41	0	244.229	1.532	1	4	1	Cc1cc2n[nH]c(=O)n2c(-c2ccc(F)cc2)n1
178300721	ZINC000013125346	ref	5.43	-24.5	0	239.278	2.535	2	2	1	Cc1cc2nc(-c3ccc[nH]c3=O)[nH]c2cc1C
178300727	ZINC000045955526	ref	5.96	-8.37	0	226.239	1.393	1	4	1	Cc1cc2n[nH]c(=O)n2c(-c2ccccc2)n1
342595068	ZINC000590772922	ref	6.79	-12.89	0	297.395	1.992	0	4	3	COC1CCC(C(=O)N2CC(C(=O)OC(C)(C)C)C2)CC1
365633184	ZINC000354703518	ref	1.81	-9.31	0	284.385	1.836	2	5	4	COc1nn(C)cc1NC(=O)NC[C@]1(C)CCCS1
300267328	ZINC000253312148	low	4.86	-54.42	1	288.413	0.569	1	3	3	C[C@H]1C[N@@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)CCC1=O
178300733	ZINC000057330165	ref	6.9	-6.08	0	235.291	1.184	2	5	4	Cc1cc2n[nH]c(=O)n2c(NCCC(C)C)n1
185087678	ZINC000096072158	ref	7.76	-12.1	0	282.347	2.025	0	5	2	c1cnc(N2CC[C@@]3(C[C@@H](c4cccnc4)CO3)C2)nc1
185087680	ZINC000096072954	ref	6.13	-9.03	0	274.364	2.421	0	3	1	Cc1ccc(C(=O)N2CCC3(CC2)C[C@H](C)CO3)cn1
192339510	ZINC000421444089	ref	6.08	-8.34	0	239.359	2.356	1	2	7	CCOCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1
349534532	ZINC000093279158	mid	3.44	-35.4	1	256.346	0.771	2	3	4	COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H](C)C(N)=O)C1
262839071	ZINC000399559408	ref	5.1	-37.38	1	238.375	1.911	2	1	6	CC(C)[C@H](C(=O)NC(C1CC1)C1CC1)[C@H](C)[NH3+]
214184198	ZINC000293560567	low	4.27	-52.02	1	355.46	0.905	2	4	7	COC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
214184202	ZINC000293564243	ref	0.99	-13.86	0	350.16	0.408	2	4	5	CCC[C@H](NC(=O)c1cnn(C)c1I)C(N)=O
214184213	ZINC000293567172	ref	1.12	-16.82	0	371.44	0.88	3	6	7	COC(=O)c1ccc(C(=O)NCCNS(=O)(=O)c2ccc(C)s2)[nH]1
214184217	ZINC000293559139	ref	-0.78	-13.74	0	368.459	0.132	2	5	2	Cc1ccc(NC(=O)C(=O)N2C[C@H](C)N(C)[C@H](C)C2)cc1S(N)(=O)=O
214184221	ZINC000293559139	mid	1.43	-44.19	1	368.459	0.132	3	4	2	Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](C)[C@H](C)C2)cc1S(N)(=O)=O
214184224	ZINC000293559139	mid	1.05	-44.48	1	368.459	0.132	3	4	2	Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](C)[C@H](C)C2)cc1S(N)(=O)=O
214184227	ZINC000293565109	ref	3.64	-14.56	0	359.382	0.976	2	6	1	Cn1c(=O)oc2c(NC(=O)C(=O)N3CC[C@H](O)C34CCCC4)cccc21
214184233	ZINC000293562857	ref	1.11	-59.86	1	353.444	0.825	3	4	6	CS(=O)(=O)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)NC(=O)CO2
342078224	ZINC000617964275	ref	4.42	-11.87	0	263.341	1.517	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2cc3n(n2)CCCC3)C1
342078225	ZINC000625291989	ref	3.08	-13.26	0	294.399	1.05	1	5	5	CCn1cc(C(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)c(C)n1
214184246	ZINC000293566388	ref	4.33	-10.59	0	362.386	0.219	2	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2
214184251	ZINC000293562718	ref	3.13	-14.31	0	354.48	0.542	1	6	6	CCN(CC)C(=O)CN1CCN(C(=O)NCc2snnc2C)CC1
214184254	ZINC000293562718	low	5.64	-48.66	1	354.48	0.542	2	5	6	CCN(CC)C(=O)C[NH+]1CCN(C(=O)NCc2snnc2C)CC1
342078226	ZINC000625291989	low	4.97	-47.89	1	294.399	1.05	2	4	5	CCn1cc(C(=O)N[C@@H](C)[C@@H](C)[NH+]2CCOCC2)c(C)n1
342078227	ZINC000625289588	ref	3.7	-9.98	0	271.386	1.586	1	4	5	CC[C@](C)(NS(=O)(=O)c1cnc(C)n1C)C1CC1
342078228	ZINC000625292009	ref	3.7	-9.17	0	284.4	1.027	1	4	7	CCO[C@H](C(=O)N[C@H](C)[C@@H](C)N1CCOCC1)C1CC1
342078229	ZINC000625292009	low	6.04	-42.23	1	284.4	1.027	2	3	7	CCO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C1CC1
342078230	ZINC000625290311	ref	4.07	-9.9	0	286.416	1.417	1	4	8	CCC[C@H](OCC)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1
342078231	ZINC000625290311	low	5.98	-42.93	1	286.416	1.417	2	3	8	CCC[C@H](OCC)C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1
342078232	ZINC000617964207	ref	3.81	-15.02	0	251.33	1.207	1	4	5	CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)c2ccnn2C)C1
342078233	ZINC000617964323	ref	4.83	-12.76	0	263.341	1.207	1	4	5	CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnn(C)c2)C1
365633172	ZINC000617423545	ref	3.79	-17.31	0	273.3	0.491	1	7	4	C=CCn1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)nn1
365633181	ZINC000617415208	ref	6.41	-51.54	1	263.341	0.449	2	3	4	C[N@@H+]1CCC[C@@H](NC(=O)CCn2ccccc2=O)C1
187169226	ZINC000125101976	ref	1.71	-8.59	0	262.353	0.93	2	3	4	C[C@@H](CO)NC(=O)[C@@H](C)N1CCc2ccccc2C1
187169227	ZINC000125101976	mid	4.21	-36.78	1	262.353	0.93	3	2	4	C[C@@H](CO)NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1
178300709	ZINC000237164974	high	3.76	-10.19	0	357.248	1.585	1	4	6	COCCNCC(=O)N1CCO[C@H](c2ccc(Br)cc2)C1
214184200	ZINC000053461140	ref	4.23	-17.84	0	342.342	3.357	2	3	4	C[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1ccc(C(F)(F)F)cc1
187169228	ZINC000125101976	mid	4.02	-37.04	1	262.353	0.93	3	2	4	C[C@@H](CO)NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1
187169229	ZINC000125099278	ref	2.56	-10.05	0	296.367	2.224	2	4	5	COC[C@@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccco1
187169230	ZINC000125093197	ref	7.86	-11.17	0	252.364	2.399	0	5	4	O=c1cc(CSCC2CC2)nc2sccn12
178300711	ZINC000237168570	ref	5.45	-50.58	-1	363.151	1.75	1	4	5	COc1ccc(C(=O)NC[C@@H](C)C(=O)[O-])c(I)c1
365633188	ZINC000617415208	mid	5.87	-49.29	1	263.341	0.449	2	3	4	C[N@H+]1CCC[C@@H](NC(=O)CCn2ccccc2=O)C1
187169231	ZINC000125099048	ref	9.66	-39.83	1	271.364	2.235	1	3	3	CC[C@H]1CC[N@H+](Cc2cc(=O)n3c(C)cccc3n2)C1
187169232	ZINC000125099048	mid	9.4	-39.29	1	271.364	2.235	1	3	3	CC[C@H]1CC[N@@H+](Cc2cc(=O)n3c(C)cccc3n2)C1
178300715	ZINC000237170529	ref	3.06	-61.15	1	368.377	1.306	1	4	7	CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]([NH3+])CCS(C)(=O)=O
187169233	ZINC000125099048	high	6.7	-11.34	0	271.364	2.235	0	4	3	CC[C@H]1CCN(Cc2cc(=O)n3c(C)cccc3n2)C1
178300716	ZINC000237170529	mid	2.72	-21.97	0	368.377	1.306	1	5	7	CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H](N)CCS(C)(=O)=O
178300718	ZINC000237168028	ref	9.07	-102.55	2	363.502	1.582	2	4	9	COC(=O)COc1c(C)cc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1C
178300720	ZINC000237168028	mid	6.71	-53.66	1	363.502	1.582	1	5	9	COC(=O)COc1c(C)cc(C[NH2+]CCCN2CCN(C)CC2)cc1C
187169234	ZINC000125094472	ref	6.69	-12.09	0	298.342	2.096	1	3	3	CC(=O)Nc1cccc(CN2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1
187169235	ZINC000125093323	ref	5.8	-39.78	1	280.324	1.28	2	4	7	CC[N@H+](CCNC(=O)c1ccc(C(=O)OC)o1)C1CC1
178300724	ZINC000237159222	ref	6.72	-54.16	1	370.291	1.913	2	2	9	C[NH2+]CCCC(=O)NCCC(=O)N(C)Cc1ccccc1Br
187169236	ZINC000125093323	mid	5.77	-39.69	1	280.324	1.28	2	4	7	CC[N@@H+](CCNC(=O)c1ccc(C(=O)OC)o1)C1CC1
342595069	ZINC000590772705	ref	6.1	-12.06	0	293.294	1.616	0	4	4	COC(=O)c1ccc(C(=O)N(C2CC2)C2COC2)cc1F
365633173	ZINC000576588092	ref	7.63	-7.72	0	221.344	3.132	0	1	1	CC1=C(C)C[C@H](C(=O)N2[C@@H](C)C[C@@H]2C)CC1
187169237	ZINC000125093323	high	3.4	-7.06	0	280.324	1.28	1	5	7	CCN(CCNC(=O)c1ccc(C(=O)OC)o1)C1CC1
197591936	ZINC000290091387	ref	11.58	-11.71	0	283.379	2.761	0	5	4	C=CCn1c(-c2ccccn2)nnc1N1CC[C@@H](C)[C@@H]1C
187169238	ZINC000125094449	ref	6.44	-52.66	1	277.261	2.971	1	1	4	Fc1cc(C[NH2+]C[C@@H]2CCOC2)cc(C(F)(F)F)c1
187169239	ZINC000125098633	ref	-1.04	-11.06	0	285.388	-0.136	3	4	4	CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@@](C)(O)C1
187169240	ZINC000125098633	mid	1.15	-35.74	1	285.388	-0.136	4	3	4	CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@@](C)(O)C1
187169241	ZINC000125098633	mid	0.95	-36.29	1	285.388	-0.136	4	3	4	CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@@](C)(O)C1
187169242	ZINC000125097036	ref	6.22	-11.03	0	290.407	3.012	2	2	3	C[C@@H]1CCN(C(=O)NCCc2cccc(O)c2)C[C@H](C)C1
187169243	ZINC000125099227	ref	4.61	-9.96	0	292.379	3.022	2	3	6	CCCOc1ccc(NC(=O)N[C@H](C)[C@@H]2CCOC2)cc1
187169244	ZINC000125094022	ref	-0.2	-10.57	0	283.328	-0.219	2	6	8	CC[C@H](O)CCNC(=O)c1ccc(=O)n(CCOC)n1
342595070	ZINC000590773024	ref	8.38	-8.55	0	265.353	1.977	0	3	2	CC(C)(C)OC(=O)C1CN(C(=O)[C@@H]2CC23CCC3)C1
342595071	ZINC000590772908	ref	5.29	-19.81	0	298.383	1.781	1	3	6	CN(C(=O)CSCc1ccc(F)cc1)C(C)(C)C(N)=O
342595072	ZINC000590773439	ref	4.54	-12.54	0	285.384	1.491	2	4	7	COC(=O)[C@@H]1CCCC[C@H]1C(=O)NCC[C@@H](C)CCO
342595073	ZINC000590772704	ref	6.3	-11.57	0	282.347	1.576	0	4	1	Cn1ncc(C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)c1C#N
342595074	ZINC000590773061	ref	5.66	-11.28	0	292.335	1.504	0	5	3	COc1ccnc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)c1
365633182	ZINC000576588732	ref	6.55	-31.35	1	226.408	2.741	1	1	7	CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C1CC1)N(C)C
365633189	ZINC000576588732	mid	8.61	-103.5	2	226.408	2.741	2	0	7	CCC(C)(C)[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C
342595075	ZINC000590773014	ref	6.7	-14.68	0	293.367	1.324	0	5	3	C[C@@H](C(=O)N1CC(C(=O)OC(C)(C)C)C1)c1cnn(C)c1
187169245	ZINC000125095922	ref	3.61	-10.0	0	280.372	1.582	2	4	5	CCC[C@H](C)c1cc(NC(=O)[C@H]2CN(C)CCO2)n[nH]1
342595076	ZINC000590773708	ref	3.72	-14.26	0	286.353	1.069	1	6	7	CCOC(=O)COCCNC(=O)c1nc(C)c(C)s1
365633197	ZINC000576588801	ref	5.97	-46.27	-1	249.314	1.899	0	5	3	CC(C)c1nccnc1N1CC[C@@H](C(=O)[O-])[C@@H]1C
349534534	ZINC000621232127	ref	8.28	-13.15	0	294.31	2.236	0	5	2	O=c1c2ccccc2ncn1C[C@H]1COc2ccccc2O1
290622392	ZINC000430003657	ref	2.98	-24.36	0	346.449	0.506	1	5	4	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)C1
342595077	ZINC000590773427	ref	4.03	-10.6	0	293.31	1.194	1	4	5	CCOC(=O)C(C)(C)CC(=O)N1CC[C@](O)(C(F)F)C1
197591943	ZINC000162787274	ref	1.61	-10.61	0	311.403	1.449	2	4	4	C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CCC[C@@H]3O)ccc2O1
349534536	ZINC000621234598	ref	5.52	-9.13	0	271.401	2.057	1	3	7	CC[C@@H](C)[C@@H](O)C(=O)N1CC[C@@H](OCCC(C)C)C1
136229140	ZINC000232473439	ref	6.25	-34.12	1	230.355	2.406	2	1	3	c1ccc2c(c1)CCC[C@@H]2NC[C@@H]1CCC[NH2+]1
185087685	ZINC000096072840	ref	5.35	-13.67	0	288.307	1.117	0	6	2	O=C(c1ccno1)N1CC[C@]2(C[C@H](n3ccnc3)CO2)C1
185087688	ZINC000096072840	low	6.13	-44.11	1	288.307	1.117	0	5	2	O=C(c1ccno1)N1CC[C@]2(C[C@H](n3cc[nH+]c3)CO2)C1
185087690	ZINC000096072451	ref	7.24	-39.49	1	288.391	2.494	1	3	4	c1cncc(O[C@@H]2CO[C@]3(CC[N@@H+](CC4CCC4)C3)C2)c1
185087693	ZINC000096072451	mid	7.39	-38.82	1	288.391	2.494	1	3	4	c1cncc(O[C@@H]2CO[C@]3(CC[N@H+](CC4CCC4)C3)C2)c1
185087694	ZINC000096073780	ref	6.1	-40.08	1	288.395	1.922	2	4	4	c1cnc(N[C@H]2CO[C@]3(CCC[N@@H+](CC4CC4)C3)C2)cn1
185087696	ZINC000096073780	mid	6.14	-37.98	1	288.395	1.922	2	4	4	c1cnc(N[C@H]2CO[C@]3(CCC[N@H+](CC4CC4)C3)C2)cn1
342595078	ZINC000590772951	ref	1.57	-15.22	0	290.319	1.045	2	5	4	CO[C@H]1COCC[C@H]1CNC(=O)c1cc(O)cc(C#N)c1
214184204	ZINC000053455175	ref	6.95	-13.9	0	346.456	2.803	0	6	6	Cc1noc(C2CCN(C(=O)CCSCc3ccccn3)CC2)n1
342595079	ZINC000590772951	mid	2.33	-37.76	-1	290.319	1.045	1	5	4	CO[C@H]1COCC[C@H]1CNC(=O)c1cc([O-])cc(C#N)c1
342595080	ZINC000590772819	ref	6.0	-9.32	0	280.299	1.69	0	4	3	COC(=O)c1cncc(C(=O)N2CCC(CF)CC2)c1
185087698	ZINC000096074575	ref	2.22	-48.18	1	260.297	0.837	2	4	2	Cc1ncccc1NC(=O)C1=NO[C@@]2(CC[NH2+]C2)C1
185087700	ZINC000096073430	ref	5.39	-15.12	0	297.395	1.6	0	4	4	COCC[C@H]1CO[C@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1
342595081	ZINC000590773550	ref	6.56	-15.31	0	281.283	1.422	0	4	4	COC(=O)COc1ccc(C(=O)N2CC[C@@H](F)C2)cc1
185087702	ZINC000096072726	ref	7.12	-11.81	0	298.35	1.116	1	7	3	c1cnc(N[C@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1
342595082	ZINC000590773533	ref	6.82	-13.29	0	257.305	1.536	0	3	2	COC(=O)[C@H]1CCC[C@@H](C(=O)N2CC[C@H](F)C2)C1
214184205	ZINC000337623260	ref	1.81	-14.52	0	264.329	0.886	2	4	2	Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@H]1CCOC1
342078234	ZINC000617964340	ref	4.63	-13.72	0	251.326	1.285	1	3	4	CCO[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC(=O)[C@@H]2C3)C1
342078235	ZINC000625292004	ref	1.47	-8.81	0	292.379	1.54	2	4	4	Cc1cccc(O)c1C(=O)N[C@H](C)[C@H](C)N1CCOCC1
136229141	ZINC000232473439	low	7.34	-123.17	2	230.355	2.406	2	0	3	c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1
214184207	ZINC000337621201	ref	4.57	-22.94	0	299.4	0.741	2	5	6	Cc1cc(N(C)C)nc(NC(=O)NCCC[S@@](C)=O)n1
398248416	ZINC000650869475	ref	4.7	-9.7	0	266.385	1.979	2	2	3	CC1(C)C[C@@H]1CNC(=O)N1CCC(C2(O)CC2)CC1
365633175	ZINC000336550437	ref	6.97	-9.93	0	291.326	2.489	0	3	3	C[C@H](c1cncc(F)c1)N1C(=O)CN(C2CCCC2)C1=O
343993779	ZINC000599268630	ref	1.43	-11.69	0	297.355	1.219	1	7	6	CCOC(=O)C[C@H](O)CN1CCCC[C@@H]1c1noc(C)n1
343993781	ZINC000248507943	ref	5.54	-41.04	1	299.459	1.908	3	2	4	CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CC[N@@H+]1C[C@H](C)O
342078236	ZINC000625292004	low	3.34	-40.54	1	292.379	1.54	3	3	4	Cc1cccc(O)c1C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1
342078237	ZINC000625292004	high	2.24	-49.81	-1	292.379	1.54	1	4	4	Cc1cccc([O-])c1C(=O)N[C@H](C)[C@H](C)N1CCOCC1
342078238	ZINC000625289841	ref	4.24	-7.2	0	289.423	1.888	2	2	4	C[C@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)N[C@H](C)c1ccccc1
349534535	ZINC000093279158	mid	1.64	-9.01	0	256.346	0.771	1	4	4	COC(=O)C(C)(C)[C@H]1CCCN([C@@H](C)C(N)=O)C1
214184216	ZINC000337622231	ref	4.07	-12.87	0	298.387	0.795	1	6	10	CCN(CCOCCO)C(=O)c1cn(CCC(C)C)nn1
168366001	ZINC000041053729	ref	3.81	-28.79	1	170.3	1.598	2	1	2	C[C@@H](N)[C@@H](C)[NH+]1CCCCCC1
214184220	ZINC000337622380	ref	0.9	-15.22	0	282.344	-0.676	1	6	5	C[C@H](O)CN1CCN(C(=O)COc2cnn(C)c2)CC1
214184225	ZINC000337622380	mid	3.16	-49.41	1	282.344	-0.676	2	5	5	C[C@H](O)C[NH+]1CCN(C(=O)COc2cnn(C)c2)CC1
214184235	ZINC000337621286	ref	5.75	-12.25	0	271.401	2.06	1	3	9	CCN(CCOCCO)C(=O)[C@H](C)CC1CCCC1
214184239	ZINC000337624164	ref	5.45	-17.63	0	285.267	0.663	1	8	5	O=[N+]([O-])c1cnn(CCNc2ncnc3ccncc23)c1
214184243	ZINC000337623277	ref	2.82	-13.87	0	290.22	2.025	2	3	3	C[C@H](CNC(=O)c1cc(F)cc2n[nH]nc12)C(F)(F)F
214184247	ZINC000337623277	high	2.6	-45.27	-1	290.22	2.025	1	3	3	C[C@H](CNC(=O)c1cc(F)cc2nn[n-]c12)C(F)(F)F
214184248	ZINC000337623277	high	2.67	-45.05	-1	290.22	2.025	1	3	3	C[C@H](CNC(=O)c1cc(F)cc2[n-]nnc12)C(F)(F)F
365633180	ZINC000641596562	ref	2.16	-13.41	0	294.376	1.334	1	4	5	O=S(=O)(NC/C=C/c1cccnc1)[C@@H]1C[C@@H]2CC[C@H]1O2
365633187	ZINC000641596650	ref	4.31	-16.62	0	265.284	1.431	1	3	3	CCOc1c(F)cccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365633193	ZINC000641600501	ref	4.39	-8.03	0	298.346	1.753	1	5	2	CC1(C)CN(c2cc(C(N)=O)ncn2)Cc2ccccc2O1
365633200	ZINC000641600694	ref	6.43	-9.25	0	251.33	1.453	0	5	8	COCCOCCN(C)c1cc(C2CC2)ncn1
365633206	ZINC000641600508	ref	1.69	-8.37	0	271.361	1.856	0	6	9	CCC(C)(C)c1nnc(N(C)CCOCCOC)o1
365633211	ZINC000641600097	ref	6.65	-12.39	0	289.408	1.854	1	6	4	Cn1nccc1-c1ccc(NC[C@@H]2CCCSC2)nn1
365633218	ZINC000641602027	ref	2.97	-11.14	0	298.346	1.908	2	5	5	NC(=O)c1nccnc1NC[C@H]1CC[C@@H](c2ccccc2)O1
365633228	ZINC000641596557	ref	3.46	-10.22	0	283.397	1.661	1	3	8	CCCCN(C)S(=O)(=O)NC/C=C\c1cccnc1
365633235	ZINC000641600553	ref	6.4	-11.96	0	287.367	1.881	0	6	5	CCOC1CC(N(C)c2ccc(-c3ccnn3C)nn2)C1
365633248	ZINC000641600426	ref	5.23	-10.34	0	277.343	1.702	1	3	2	CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2ccncc2F)C1
365633253	ZINC000641600426	low	5.75	-39.83	1	277.343	1.702	1	2	2	CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2cc[nH+]cc2F)C1
365633256	ZINC000641596599	ref	2.62	-15.77	0	296.392	1.441	1	4	7	O=S(=O)(CC[C@H]1CCOC1)NC/C=C/c1cccnc1
343993782	ZINC000079916317	ref	5.16	-17.68	0	288.225	2.268	1	4	2	C[C@@H](C(=O)Nc1ccc2oc(=O)n(C)c2c1)C(F)(F)F
365633262	ZINC000641596590	ref	1.34	-14.87	0	268.361	1.019	3	2	3	NC(=O)N1CC[C@H](CNC(=O)NC2CCCCC2)C1
282122207	ZINC000449153192	high	6.95	-10.02	0	270.38	2.327	1	4	6	CCn1nnc(C)c1CN[C@H]1C[C@@H]1Cc1ccccc1
282122214	ZINC000449153032	ref	4.26	-40.62	1	255.402	2.188	2	2	4	C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)C1CCOCC1
282122220	ZINC000449153193	ref	8.24	-55.06	1	270.38	2.327	1	3	6	CCn1nnc(C)c1C[NH2+][C@@H]1C[C@H]1Cc1ccccc1
365633270	ZINC000641596525	ref	2.6	-13.64	0	296.392	1.582	1	4	5	CC1(C)C[C@@H](S(=O)(=O)NC/C=C/c2cccnc2)CO1
365633279	ZINC000641596589	ref	1.33	-14.96	0	268.361	1.019	3	2	3	NC(=O)N1CC[C@@H](CNC(=O)NC2CCCCC2)C1
365633285	ZINC000641596561	ref	2.08	-14.37	0	294.376	1.334	1	4	5	O=S(=O)(NC/C=C\c1cccnc1)[C@H]1C[C@@H]2CC[C@H]1O2
365633291	ZINC000641600707	ref	7.0	-12.7	0	274.368	1.844	1	4	2	CC(=O)N1C[C@@H]2CCC[C@H](Nc3ncncc3C)[C@H]2C1
365633298	ZINC000641596556	ref	3.69	-11.75	0	283.397	1.661	1	3	8	CCCCN(C)S(=O)(=O)NC/C=C/c1cccnc1
342078239	ZINC000625289841	mid	6.24	-36.23	1	289.423	1.888	2	2	4	C[C@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)N[C@H](C)c1ccccc1
187169246	ZINC000125095922	low	5.85	-40.56	1	280.372	1.582	3	3	5	CCC[C@H](C)c1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1
187169247	ZINC000125095922	low	6.04	-47.79	1	280.372	1.582	3	3	5	CCC[C@H](C)c1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1
192339512	ZINC000081927811	ref	10.15	-7.92	0	311.397	3.422	0	2	2	CC1(C)CN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)CCS1
342078240	ZINC000625289841	mid	4.24	-7.2	0	289.423	1.888	1	3	4	C[C@H]1[C@@H](C)N(C)CCN1CC(=O)N[C@H](C)c1ccccc1
365633186	ZINC000336550674	ref	7.02	-20.67	0	260.341	2.116	0	4	3	CCn1ccnc1[C@@H]1CCCCN1C(=O)[C@@H](C)C#N
192339515	ZINC000081928384	ref	6.96	-16.77	0	309.416	1.724	0	6	1	CC1(C)CN(C(=O)c2cnc3sccn3c2=O)CCS1
343993784	ZINC000248507943	mid	5.66	-39.55	1	299.459	1.908	3	2	4	CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CC[N@H+]1C[C@H](C)O
343993788	ZINC000248507943	mid	4.07	-8.54	0	299.459	1.908	2	3	4	CC[C@@H]1CN(C(=O)N[C@H](C)C(C)(C)C)CCN1C[C@H](C)O
342078241	ZINC000625291653	ref	4.27	-10.75	0	291.438	1.489	0	4	4	CN(CC1=CCSC1)S(=O)(=O)[C@H]1COC(C)(C)C1
192339520	ZINC000081928011	ref	7.55	-17.42	0	306.431	2.356	0	3	2	CN(C)C(=O)c1cccc(C(=O)N2CCSC(C)(C)C2)c1
365633190	ZINC000336550674	low	7.36	-32.59	1	260.341	2.116	0	3	3	CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)[C@@H](C)C#N
342078242	ZINC000608845765	ref	5.56	-10.51	0	291.347	1.906	1	4	4	COC(=O)c1ccc(CNC(=O)C2(C)CCOCC2)cc1
342078243	ZINC000625291987	ref	2.94	-13.29	0	294.399	1.05	1	5	5	CCn1cc(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)c(C)n1
192339523	ZINC000081922983	ref	1.85	-45.05	1	315.366	1.222	1	4	2	[NH3+][C@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccccc1F)OCCO2
192339525	ZINC000081922983	high	1.33	-11.68	0	315.366	1.222	1	5	2	N[C@H]1CCC2(C[C@@H]1S(=O)(=O)c1ccccc1F)OCCO2
365633198	ZINC000336550674	high	7.02	-20.67	0	260.341	2.116	0	4	3	CCn1ccnc1[C@@H]1CCCCN1C(=O)C(C)C#N
365633203	ZINC000336550328	ref	7.45	-12.46	0	264.373	2.342	1	4	2	C[C@@H]1CCCC[C@H]1NC(=O)c1ncn(C(C)(C)C)n1
365633209	ZINC000336550422	ref	6.06	-52.46	1	290.338	2.371	2	2	3	C[C@@H]1C[C@@H](NC(=O)Cc2coc3cc(F)ccc23)CC[NH2+]1
365633220	ZINC000336550121	ref	6.1	-9.05	0	281.396	2.221	0	3	2	O=C(C1CCOCC1)N1CCO[C@H](C2CCCCC2)C1
192339527	ZINC000081925873	ref	7.95	-13.32	0	303.391	1.63	0	6	2	CC1(C)CN(C(=O)c2ccc(-n3cnnn3)cc2)CCS1
365633229	ZINC000336550613	ref	4.08	-13.34	0	291.376	2.198	1	5	3	Cc1ccc(Cc2noc([C@@]3(C)CCCNC3=O)n2)s1
365633192	ZINC000617415208	high	3.52	-17.07	0	263.341	0.449	1	4	4	CN1CCC[C@@H](NC(=O)CCn2ccccc2=O)C1
136229142	ZINC000232465615	ref	3.59	-38.53	1	248.326	1.299	2	3	4	c1cc2c(cc1CNC[C@H]1CCC[NH2+]1)OCCO2
178300728	ZINC000237164338	ref	5.39	-38.45	1	374.485	1.31	2	5	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1
365633202	ZINC000617424135	ref	4.7	-18.71	0	260.301	0.93	1	6	3	CCn1ccc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)n1
178300730	ZINC000237172610	ref	6.25	-43.45	1	372.263	1.572	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)C1
365633213	ZINC000617415921	ref	3.56	-44.2	1	272.399	0.841	2	5	4	C[N@@H+]1CCC[C@H](NC(=O)CSc2nncs2)C1
365633221	ZINC000617415921	mid	4.1	-45.37	1	272.399	0.841	2	5	4	C[N@H+]1CCC[C@H](NC(=O)CSc2nncs2)C1
178300732	ZINC000237173312	ref	5.06	-93.81	2	354.454	1.294	4	2	8	C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)c1
178300736	ZINC000237173312	mid	4.75	-50.85	1	354.454	1.294	4	3	8	C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)c2ccccc2)c1
365633227	ZINC000617415921	mid	1.21	-9.85	0	272.399	0.841	1	6	4	CN1CCC[C@H](NC(=O)CSc2nncs2)C1
365633233	ZINC000617415490	ref	4.97	-48.87	1	293.367	0.319	2	4	5	COCCn1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1=O
365633237	ZINC000617415490	mid	5.49	-51.09	1	293.367	0.319	2	4	5	COCCn1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)ccc1=O
365633242	ZINC000617415490	high	2.6	-12.05	0	293.367	0.319	1	5	5	COCCn1cc(C(=O)N[C@@H]2CCCN(C)C2)ccc1=O
343993785	ZINC000139274241	low	8.62	-36.52	1	196.253	2.391	1	0	1	c1ccc2c(c1)C[C@@]1(c3c[nH]c[nH+]3)C[C@@H]21
343993789	ZINC000139261556	ref	6.71	-2.23	0	192.155	3.461	0	0	0	Cc1cc(C(F)(F)F)c(C)cc1F
365633249	ZINC000617424128	ref	4.64	-20.24	0	250.302	0.969	1	5	3	C[C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)c2ncnn21
365633264	ZINC000617423057	ref	4.55	-16.57	0	287.327	0.881	1	7	5	C=CCCn1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)nn1
398248419	ZINC000649442907	ref	7.85	-44.51	1	239.322	2.557	1	2	2	Cc1cnn(-c2cccc(C3=CC[NH2+]CC3)c2)c1
214184208	ZINC000053454890	ref	6.2	-12.67	0	331.42	2.658	0	6	2	Cc1noc(C2CCN(C(=O)c3cc(C)n(C(C)(C)C)n3)CC2)n1
365633272	ZINC000617424134	ref	4.69	-18.62	0	260.301	0.93	1	6	3	CCn1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)n1
343993793	ZINC000139280176	ref	5.45	-0.87	0	162.323	2.897	2	2	0	SC1(S)CCCCCC1
365633286	ZINC000617424133	ref	4.7	-18.73	0	260.301	0.93	1	6	3	CCn1ccc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)n1
214184209	ZINC000053448277	ref	5.77	-10.7	0	346.239	3.766	0	5	2	Cc1noc(C2CCN(C(=O)c3cc(Cl)sc3Cl)CC2)n1
398248421	ZINC000442705837	ref	3.07	-15.34	0	245.319	0.269	1	4	7	COCCCOCC(=O)N1CC[C@@H](C)[C@@H]1CO
342078244	ZINC000625291987	low	4.95	-47.04	1	294.399	1.05	2	4	5	CCn1cc(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)c(C)n1
342078245	ZINC000050944133	ref	5.62	-47.79	1	276.384	1.866	2	3	5	CN(C)c1ccc(NC(=O)CCC2CC[NH2+]CC2)cn1
398248424	ZINC000645408090	ref	2.41	-12.27	0	243.307	0.241	1	3	4	CC[C@@H](CNC(=O)N1CN(C)C(=O)[C@@H]1C)OC
342078246	ZINC000625292005	ref	1.46	-8.82	0	292.379	1.54	2	4	4	Cc1cccc(O)c1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1
349534538	ZINC000093288116	ref	4.16	-13.07	0	289.339	0.961	2	5	6	COCc1ccccc1CNC(=O)NCc1ncn(C)n1
349534544	ZINC000093261109	ref	3.6	-14.08	0	290.323	0.996	2	4	5	CCOCCN(C)C(=O)C(=O)Nc1ccc2n[nH]cc2c1
349534548	ZINC000093286233	ref	3.67	-9.11	0	271.361	0.531	1	3	5	COCCN1CCN(C(=O)N[C@@H](C)C(C)C)CC1=O
398248428	ZINC000645409713	ref	1.51	-42.23	1	222.292	0.034	2	3	3	Cn1nccc1CNC(=O)[C@@H]1[NH2+]CC1(C)C
398248432	ZINC000645409713	high	-0.11	-8.06	0	222.292	0.034	2	4	3	Cn1nccc1CNC(=O)[C@@H]1NCC1(C)C
398248435	ZINC000218882114	ref	4.87	-48.03	1	208.28	2.426	2	1	2	Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1[NH3+]
349534553	ZINC000093289436	ref	3.57	-9.11	0	297.38	0.748	1	4	5	COCCN1CCN(C(=O)NCc2ccsc2)CC1=O
349534557	ZINC000093261770	ref	2.3	-13.37	0	265.313	0.62	2	4	1	C[C@H]1CCN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1O
398248442	ZINC000645408089	ref	2.4	-11.98	0	243.307	0.241	1	3	4	CC[C@H](CNC(=O)N1CN(C)C(=O)[C@@H]1C)OC
398248446	ZINC000442705848	ref	3.77	-45.73	1	237.347	0.989	1	3	4	C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)N1CCOCC1
398248450	ZINC000645409819	ref	1.54	-9.25	0	244.335	0.965	2	3	3	CO[C@@H](C)[C@@H](C)NC(=O)N1C[C@@H](O)CC[C@@H]1C
398248454	ZINC000442705908	ref	0.54	-25.61	0	225.248	-0.606	1	5	5	CO[C@@H](C)CNC(=O)Cn1cccnc1=O
398248460	ZINC000645409888	ref	5.42	-48.81	1	235.291	0.523	3	3	2	O=C(Nc1nc[nH]n1)[C@@]12CCCC[C@H]1C[NH2+]C2
342078247	ZINC000625292005	low	3.35	-39.94	1	292.379	1.54	3	3	4	Cc1cccc(O)c1C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1
398248464	ZINC000645409833	ref	4.85	-39.7	1	209.253	0.131	3	3	2	C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1nc[nH]n1
342078248	ZINC000625292005	high	2.23	-50.28	-1	292.379	1.54	1	4	4	Cc1cccc([O-])c1C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1
398248468	ZINC000417649182	ref	0.7	-51.51	1	243.351	0.84	3	2	6	CC[C@@H]([NH3+])CNC(=O)NCCC1CCOCC1
398248472	ZINC000062358705	ref	2.36	-45.86	1	239.344	1.261	2	3	3	C[C@@H](NC(=O)c1cscn1)[C@@H]1CCC[NH2+]C1
349534539	ZINC000621241859	ref	6.77	-48.06	-1	275.295	2.183	1	3	7	O=C([O-])CC1(CC(=O)NCC[C@@H]2CC2(F)F)CCC1
349534540	ZINC000621234448	ref	8.18	-11.8	0	283.412	2.465	0	3	8	CC(C)CCO[C@@H]1CCN(C(=O)[C@H](C)OCC2CC2)C1
230236177	ZINC000336790188	low	0.89	-94.15	2	259.35	-1.564	4	3	6	C[C@@H](O)C[N@H+](CCO)CC(=O)N1CC[NH+](C)CC1
230236181	ZINC000336790188	low	1.09	-92.72	2	259.35	-1.564	4	3	6	C[C@@H](O)C[N@@H+](CCO)CC(=O)N1CC[NH+](C)CC1
349534542	ZINC000621236717	ref	6.75	-13.54	0	288.395	2.152	0	4	4	CCCCC(=O)N1CCc2nnc(N3CCCC3)cc2C1
190493449	ZINC000269423668	ref	6.59	-6.41	0	262.353	2.466	1	4	5	COC(=O)[C@@H](NCC1CCCCC1)c1cccnc1
349534545	ZINC000621234791	ref	6.93	-15.13	0	280.368	2.189	0	4	6	Cc1cc(CC(=O)N2CC[C@@H](OCCC(C)C)C2)on1
349534547	ZINC000621233731	ref	7.54	-11.99	0	283.412	2.465	0	3	7	CO[C@H](C(=O)N1CC[C@@H](OCCC(C)C)C1)C1CCC1
349534549	ZINC000621236566	ref	6.37	-12.68	0	288.395	2.008	0	4	3	CC[C@H](C)C(=O)N1CCc2nnc(N3CCCC3)cc2C1
349534551	ZINC000621241027	ref	7.23	-48.51	-1	287.319	2.398	1	5	4	Cc1cc(C)n([C@@H](C)C(=O)Nc2ccccc2C(=O)[O-])n1
178300735	ZINC000021163786	ref	3.99	-9.08	0	242.2	2.559	1	2	0	Cc1cc2nc(C(F)(F)F)c(=O)[nH]c2cc1C
178300741	ZINC000002744073	ref	5.69	-9.22	0	233.168	2.913	0	3	2	Cc1cc2nc(C(F)F)cc(C(F)F)n2n1
178300746	ZINC000359830096	ref	4.51	-9.9	0	226.283	2.812	3	2	3	Cc1cc2n[nH]cc2cc1NCc1cc[nH]c1
190493453	ZINC000269427576	ref	3.23	-13.37	0	262.298	2.102	1	7	3	CC(C)c1ncc(-c2nc(-c3nc[nH]n3)no2)s1
214184215	ZINC000053460960	ref	4.0	-18.6	0	329.306	3.586	1	4	5	O=C(CCc1cc(F)ccc1F)Nc1cccc(-c2nnco2)c1
214184222	ZINC000053451674	ref	3.75	-11.27	0	335.433	2.012	2	7	6	CC(C)(C)CCNC(=O)CSc1nnnn1-c1ccc(O)cc1
178300751	ZINC000045955631	ref	4.22	-8.76	0	227.227	0.788	1	5	1	Cc1cc2n[nH]c(=O)n2c(-c2ccncc2)n1
214184228	ZINC000053456530	ref	7.29	-14.82	0	328.387	3.639	2	2	4	CC(=O)Nc1ccc(F)c(C(=O)NCc2c(C)cc(C)cc2C)c1
214184232	ZINC000053454137	ref	7.81	-18.12	0	343.387	1.211	0	7	4	O=C(COc1ccc(-n2cnnn2)cc1)N1CCO[C@@H]2CCCC[C@@H]21
214184234	ZINC000053455690	ref	5.12	-23.49	0	349.387	2.176	1	4	4	Cc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCC3)c2)nc1
214184238	ZINC000053452489	ref	6.36	-13.24	0	340.499	3.24	1	7	5	CC[C@H]1CCc2nc(NC(=O)CSc3nncs3)sc2C1
214184242	ZINC000053452164	ref	6.13	-12.46	0	325.463	2.837	1	7	4	Cc1cc(NC(=O)CSc2nnc(C)s2)n(C(C)(C)C)n1
187169248	ZINC000125094677	ref	2.69	-8.88	0	280.368	2.614	3	3	7	CCCOc1ccc(NC(=O)NC[C@H](O)C(C)C)cc1
346818814	ZINC000601317968	ref	5.75	-15.71	0	278.377	2.077	1	3	6	C[C@@H](CNS(=O)(=O)c1ccccc1CC#N)C1CC1
187169249	ZINC000125098194	ref	6.6	-39.54	1	257.736	3.136	1	1	4	C[C@H]([NH2+]Cc1cccc(Cl)c1F)[C@H]1CCCO1
187169250	ZINC000125098194	high	5.36	-7.05	0	257.736	3.136	1	2	4	C[C@H](NCc1cccc(Cl)c1F)[C@H]1CCCO1
197591954	ZINC000290093230	ref	6.73	-12.33	0	266.37	3.328	0	6	5	CCS[C@@H](C)c1noc(-c2cn(C(C)C)cn2)n1
365633194	ZINC000354703008	ref	1.43	-10.89	0	262.353	1.627	2	3	5	C[C@@H](O)CCCN1CC[C@H](C(N)=O)c2ccccc21
282122208	ZINC000351759161	high	2.87	-41.14	1	340.468	-0.236	2	4	4	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCO1
178300738	ZINC000237173312	high	2.27	-13.98	0	354.454	1.294	3	4	8	CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H](N)c2ccccc2)c1
178300740	ZINC000237164598	ref	5.0	-45.2	1	357.248	1.585	1	3	6	COCC[NH2+]CC(=O)N1CCO[C@@H](c2ccccc2Br)C1
187169251	ZINC000125092600	ref	4.26	-7.53	0	254.355	2.416	1	4	2	CC(C)(C)c1csc(NC(=O)[C@H]2CCOC2)n1
178300743	ZINC000237164598	high	3.65	-11.63	0	357.248	1.585	1	4	6	COCCNCC(=O)N1CCO[C@@H](c2ccccc2Br)C1
342078249	ZINC000617964189	ref	5.6	-11.55	0	251.33	1.518	1	4	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1
178300747	ZINC000237163826	ref	3.98	-48.35	1	362.474	1.294	2	5	7	COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC(C)C)cc2)CC1
187169252	ZINC000125098873	ref	1.96	-9.9	0	294.351	1.68	2	4	5	COc1ccc(CNC(=O)N[C@H]2CCO[C@@H]2C)c(OC)c1
178300749	ZINC000237163826	high	3.66	-11.44	0	362.474	1.294	2	6	7	COC(=O)CN1CCN(c2ccc(NC(=O)[C@@H](N)CC(C)C)cc2)CC1
187169253	ZINC000125092964	ref	5.78	-55.21	1	296.317	2.121	1	2	4	C[C@@H]1C[NH2+]CCN1C(=O)/C=C/c1ccccc1OC(F)F
187169254	ZINC000125092964	mid	4.45	-11.49	0	296.317	2.121	1	3	4	C[C@@H]1CNCCN1C(=O)/C=C/c1ccccc1OC(F)F
178300752	ZINC000237156370	ref	6.49	-51.31	1	352.46	1.893	2	6	6	COC(=O)CCCc1nnc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)s1
187169255	ZINC000125100124	ref	5.77	-6.84	0	272.736	1.417	1	6	5	CNc1c(Cl)ncnc1N(C)C[C@@H](C)C(=O)OC
342078250	ZINC000617964189	low	6.28	-37.54	1	251.33	1.518	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C[C@@H](C)n2cc[nH+]c2)C1
342078251	ZINC000625289792	ref	2.02	-34.91	1	276.384	1.545	1	4	3	COc1cncc(CN2CCC3(CCC[N@@H+]3C)CC2)n1
342078252	ZINC000625289792	mid	2.02	-34.91	1	276.384	1.545	1	4	3	COc1cncc(CN2CCC3(CCC[N@H+]3C)CC2)n1
185087704	ZINC000096073425	ref	3.04	-9.21	0	279.384	1.817	1	4	5	COCC[C@@H]1CO[C@@]2(CCCN(Cc3cc[nH]n3)C2)C1
185087706	ZINC000096073425	mid	5.34	-35.43	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@@]2(CCC[N@H+](Cc3cc[nH]n3)C2)C1
365633201	ZINC000354701731	ref	4.22	-5.77	0	257.374	1.979	1	3	6	CCOC[C@H](NC(=O)[C@H]1CCO[C@H](C)C1)C(C)C
185087707	ZINC000096073425	mid	5.34	-35.02	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)C1
299072165	ZINC000358088144	high	3.97	-6.35	0	308.47	1.761	1	3	3	CCN1C[C@H](C)N(C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@H]1C
185087712	ZINC000096072937	ref	2.91	-39.22	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@@H+](CCO)C3)C2)n1
185087714	ZINC000096072937	mid	2.68	-40.72	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@@H]2CO[C@@]3(CC[N@H+](CCO)C3)C2)n1
365633208	ZINC000354702277	ref	3.14	-16.16	0	263.688	1.024	0	5	2	O=C(c1ccncc1Cl)N1CC(n2ccnn2)C1
185087716	ZINC000096072937	high	0.43	-10.44	0	288.351	0.591	2	6	4	N#Cc1cccc(N[C@@H]2CO[C@@]3(CCN(CCO)C3)C2)n1
185087718	ZINC000096073419	ref	4.05	-8.27	0	279.384	1.817	1	4	5	COCC[C@@H]1CO[C@]2(CCCN(Cc3c[nH]cn3)C2)C1
185087720	ZINC000096073419	mid	6.81	-33.93	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
185087722	ZINC000096073419	mid	6.36	-35.61	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
185087725	ZINC000096073419	mid	6.45	-41.35	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
185087727	ZINC000096073419	mid	6.67	-42.98	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
185087728	ZINC000096073419	high	3.98	-7.64	0	279.384	1.817	1	4	5	COCC[C@@H]1CO[C@]2(CCCN(Cc3cnc[nH]3)C2)C1
185087731	ZINC000096075162	ref	5.8	-6.62	0	264.325	2.096	0	4	3	CCOC1CC2(CCN(C(=O)c3ccno3)CC2)C1
185386238	ZINC000096753548	ref	9.32	-65.0	-1	304.371	1.867	0	5	5	N#Cc1ccc(CSCC(=O)N2CCC[C@H]2C(=O)[O-])cc1
365633216	ZINC000354702119	ref	6.54	-12.77	0	291.742	1.844	1	5	3	CC1(C)C[C@H]1NC(=O)c1ccc(-n2cnnn2)cc1Cl
185087735	ZINC000096073418	ref	4.01	-8.54	0	279.384	1.817	1	4	5	COCC[C@H]1CO[C@]2(CCCN(Cc3c[nH]cn3)C2)C1
185087737	ZINC000096073418	mid	6.76	-33.47	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
185087739	ZINC000096073418	mid	6.25	-35.29	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
349535953	ZINC000602431472	low	7.32	-107.43	2	239.363	1.189	2	2	6	C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1
349534552	ZINC000621492924	ref	3.99	-15.28	0	298.346	3.189	2	4	4	C[C@H]1CC[C@@H]1NC(=O)Nc1ccc(Oc2cccnn2)cc1
365633204	ZINC000576588596	ref	1.8	-57.78	1	238.335	0.767	2	3	5	C[C@@H](C(=O)NC(C)(C)CC[NH3+])c1cnn(C)c1
365633214	ZINC000576595034	ref	-0.53	-17.42	0	249.332	-0.159	2	4	4	CC[C@@](C)(O)CNC(=O)[C@@H]1CCCS1(=O)=O
365633219	ZINC000576591644	ref	6.59	-34.95	0	201.266	0.82	1	3	8	CC[N@H+](CCOCC1CC1)CC(=O)[O-]
365633225	ZINC000576591644	mid	6.56	-32.4	0	201.266	0.82	1	3	8	CC[N@@H+](CCOCC1CC1)CC(=O)[O-]
365633230	ZINC000576587786	ref	4.38	-10.66	0	225.267	1.525	1	3	4	CCn1ccc(C(=O)NC2(CF)CCC2)n1
197591964	ZINC000162791382	ref	5.45	-11.05	0	318.123	2.344	1	5	5	COC(=O)CC[C@@H](O)c1ccc(Br)cc1[N+](=O)[O-]
342078253	ZINC000608846615	ref	6.28	-12.19	0	273.336	1.431	1	3	4	CC(=O)NC(C)(C)C(=O)N(C)Cc1cccc(C#N)c1
342078254	ZINC000617964341	ref	6.06	-18.99	0	251.326	1.285	1	3	4	CCO[C@@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3CC(=O)[C@@H]2C3)C1
342078255	ZINC000617964218	ref	5.47	-17.77	0	273.336	1.56	1	4	5	CCO[C@@H]1C[C@@H](NC(=O)Cc2cnn3ccccc23)C1
342078256	ZINC000608845923	ref	4.96	-13.23	0	292.335	1.716	2	4	5	CCOC(=O)c1ccc(NC(=O)C(C)(C)NC(C)=O)cc1
342078257	ZINC000625291914	ref	7.61	-11.32	0	280.372	1.238	0	6	5	COC[C@@]1(C)CN(c2nnc(C)n2CC2CC2)CCO1
342078258	ZINC000625289843	ref	4.24	-7.65	0	289.423	1.888	2	2	4	C[C@H]1[C@@H](C)N(CC(=O)N[C@H](C)c2ccccc2)CC[N@@H+]1C
342078259	ZINC000625289843	mid	6.17	-30.99	1	289.423	1.888	2	2	4	C[C@H]1[C@@H](C)N(CC(=O)N[C@H](C)c2ccccc2)CC[N@H+]1C
342078260	ZINC000625289843	mid	4.24	-7.65	0	289.423	1.888	1	3	4	C[C@H]1[C@@H](C)N(CC(=O)N[C@H](C)c2ccccc2)CCN1C
342078261	ZINC000625289982	ref	4.69	-34.19	1	255.406	1.173	2	2	3	C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)NCC(C)(C)C
342078262	ZINC000625289982	mid	4.26	-34.76	1	255.406	1.173	2	2	3	C[C@@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)NCC(C)(C)C
342078263	ZINC000625289982	mid	2.01	-6.92	0	255.406	1.173	1	3	3	C[C@@H]1[C@@H](C)N(CC(=O)NCC(C)(C)C)CCN1C
342078264	ZINC000050949691	ref	6.44	-85.48	2	281.444	1.613	3	1	6	CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1
342078265	ZINC000050949691	mid	6.51	-85.69	2	281.444	1.613	3	1	6	CC(C)[N@H+]1CC[C@@H](CNC(=O)CCC2CC[NH2+]CC2)C1
342078266	ZINC000625289707	ref	3.93	-10.24	0	268.357	1.184	0	3	0	C[C@H]1CN(C(=O)N2C[C@H]3COC[C@@]3(C)C2)C[C@@H](C)O1
342078267	ZINC000625292003	ref	0.97	-8.55	0	292.379	1.54	2	4	4	Cc1cccc(O)c1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1
342078268	ZINC000625292003	low	3.35	-39.89	1	292.379	1.54	3	3	4	Cc1cccc(O)c1C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1
214184219	ZINC000278483096	low	8.83	-46.73	1	300.377	3.491	1	2	3	Cc1nc(F)ccc1C[N@@H+]1C[C@H](c2ccccc2)OC[C@@H]1C
343993787	ZINC000079916317	high	5.16	-17.65	0	288.225	2.268	1	4	2	CC(C(=O)Nc1ccc2oc(=O)n(C)c2c1)C(F)(F)F
214184223	ZINC000278483156	ref	6.74	-15.7	0	304.39	2.309	0	3	3	CC[C@H]1CO[C@@H](C)CN1C(=O)c1ccc(N(C)C(C)=O)cc1
214184226	ZINC000278483264	ref	5.86	-14.48	0	300.358	3.282	2	3	3	COc1cc(C)c(NC(=O)c2c(C)cc(C)[nH]c2=O)cc1C
214184230	ZINC000278483655	ref	4.98	-11.29	0	307.39	2.381	1	4	6	COc1ccc(CNC(=O)[C@H]2CCO[C@@H]2C(C)C)cc1OC
214184237	ZINC000278484373	ref	6.72	-47.98	1	320.433	2.234	2	3	6	COc1cc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)ccc1C
214184241	ZINC000278484373	mid	6.68	-45.87	1	320.433	2.234	2	3	6	COc1cc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)ccc1C
214184244	ZINC000278484373	high	4.49	-9.85	0	320.433	2.234	1	4	6	COc1cc(C(=O)NCCCN2CCCO[C@H](C)C2)ccc1C
214184249	ZINC000278484080	ref	10.13	-17.09	0	320.396	3.056	0	4	2	Cc1ccc([C@H]2C[C@@H](C)N(C(=O)c3nccn4ccnc34)C2)cc1
214184255	ZINC000278483873	ref	2.67	-13.95	0	308.304	2.197	2	4	6	CC[C@@H](C)[C@H](NC(=O)NCCc1nc(C)no1)C(F)(F)F
214184261	ZINC000278484532	ref	2.12	-43.53	1	306.225	2.142	2	3	5	OCC[C@@]1([NH2+]Cc2ccc(Br)s2)CCOC1
214184264	ZINC000278484532	high	1.05	-4.68	0	306.225	2.142	2	4	5	OCC[C@@]1(NCc2ccc(Br)s2)CCOC1
230236186	ZINC000334034609	ref	-1.79	-23.63	0	286.332	-1.333	3	5	4	CNC(=O)NC(=O)[C@@H](C)N1CCO[C@H](CNC(C)=O)C1
342078269	ZINC000625292003	high	1.74	-50.31	-1	292.379	1.54	1	4	4	Cc1cccc([O-])c1C(=O)N[C@H](C)[C@@H](C)N1CCOCC1
342078270	ZINC000031653543	ref	5.43	-16.39	0	277.715	1.226	0	5	3	O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)N1CCC1
342078271	ZINC000625292078	ref	5.82	-10.27	0	278.356	1.204	0	6	5	COCc1nnc(N2CC3(CCCO3)C2)n1CC1CC1
342078272	ZINC000625289846	ref	3.65	-7.52	0	289.423	1.888	2	2	4	C[C@@H](NC(=O)CN1CC[N@H+](C)[C@H](C)[C@H]1C)c1ccccc1
342078273	ZINC000625289846	mid	5.95	-30.92	1	289.423	1.888	2	2	4	C[C@@H](NC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C)c1ccccc1
342078274	ZINC000625289846	mid	3.65	-7.52	0	289.423	1.888	1	3	4	C[C@@H](NC(=O)CN1CCN(C)[C@H](C)[C@H]1C)c1ccccc1
342078275	ZINC000625289971	ref	4.61	-35.36	1	255.406	1.173	2	2	3	C[C@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)NCC(C)(C)C
342078276	ZINC000625289971	mid	4.93	-35.33	1	255.406	1.173	2	2	3	C[C@H]1[C@@H](C)[N@@H+](C)CCN1CC(=O)NCC(C)(C)C
342078277	ZINC000625289971	mid	2.61	-6.57	0	255.406	1.173	1	3	3	C[C@H]1[C@@H](C)N(C)CCN1CC(=O)NCC(C)(C)C
342595083	ZINC000590772706	ref	8.0	-13.42	0	256.305	1.491	0	3	4	N#Cc1cccc(CC(=O)N(C2CC2)C2COC2)c1
365633207	ZINC000625068883	ref	1.83	-8.25	0	314.389	2.365	1	6	4	Oc1ccccc1N1CCN(Cc2noc(C3CCC3)n2)CC1
342595084	ZINC000590773543	ref	6.47	-12.83	0	257.305	1.536	0	3	2	COC(=O)[C@H]1CCC[C@H](C(=O)N2CC[C@@H](F)C2)C1
342595085	ZINC000590773065	ref	8.52	-9.31	0	278.352	1.678	0	4	4	CC(C)(C)OC(=O)C1CN(C(=O)CCn2cccc2)C1
365633215	ZINC000625069362	ref	6.84	-12.16	0	318.425	2.33	1	6	6	CCN(c1nnc(-c2cn[nH]c2)n1CC(C)C)[C@@H]1CCCOC1
365633223	ZINC000625068220	ref	6.89	-10.74	0	318.425	2.185	1	6	5	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCO[C@H](C(C)C)C1
342595086	ZINC000590772846	ref	6.72	-12.48	0	277.32	1.934	1	4	7	CC/C=C/CNC(=O)c1ccc(OCC(=O)OC)cc1
365633231	ZINC000625067291	ref	6.71	-11.99	0	314.307	2.28	1	2	5	C[C@H](CC(=O)NCCN1C(=O)Cc2ccccc21)C(F)(F)F
342595087	ZINC000590773143	ref	6.07	-8.97	0	277.324	1.199	0	5	2	Cc1nccc(C(=O)N2CC(C(=O)OC(C)(C)C)C2)n1
365633241	ZINC000625069072	ref	7.12	-10.01	0	318.425	2.33	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)C[C@H]1CCCCO1
365633251	ZINC000625070466	ref	4.13	-10.21	0	305.346	2.071	0	3	2	Cc1ccc(S(=O)(=O)N2CCO[C@H](C)[C@H]2C)c(F)c1F
214184245	ZINC000053452683	ref	5.81	-11.35	0	328.503	3.255	1	5	7	Cc1csc(SCC(=O)NCCO[C@@H]2CCCC[C@H]2C)n1
342595088	ZINC000590772949	ref	5.26	-8.85	0	268.338	1.557	0	5	2	CC(C)(C)OC(=O)C1CN(C(=O)c2nccs2)C1
342595089	ZINC000590772979	ref	4.75	-12.65	0	295.31	1.945	1	4	2	CC(C)(C)OC(=O)C1CN(C(=O)c2ccc(O)c(F)c2)C1
365633259	ZINC000625067977	ref	5.9	-13.87	0	318.425	2.33	1	6	5	CO[C@@]1(C)CCCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
282122212	ZINC000151646957	mid	4.22	-14.23	0	306.406	2.065	1	4	7	CCC(=O)N[C@H]1CCCN(CCOc2cccc(OC)c2)C1
282122218	ZINC000151646892	ref	4.17	-11.69	0	306.406	2.065	2	3	7	CCC(=O)N[C@@H]1CCC[N@H+](CCOc2cccc(OC)c2)C1
282122222	ZINC000151646892	mid	7.02	-47.43	1	306.406	2.065	2	3	7	CCC(=O)N[C@@H]1CCC[N@@H+](CCOc2cccc(OC)c2)C1
199273002	ZINC000294964025	mid	8.39	-8.82	0	284.407	3.406	1	4	5	CCCn1nc(C)c(CNc2ccc3c(n2)CCC3)c1C
349534554	ZINC000621234142	ref	4.88	-11.92	0	291.391	2.456	1	3	6	CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(CO)cc2)C1
365633268	ZINC000625069726	ref	5.94	-14.21	0	300.402	2.269	2	2	3	C[C@H](C(=O)N[C@@]1(C)CCCc2ccccc21)[C@@H]1CCC(=O)N1
342078278	ZINC000617964321	ref	2.85	-9.47	0	268.338	1.643	1	5	5	CCO[C@@H]1C[C@@H](NC(=O)c2cnc(C(C)=O)s2)C1
398249510	ZINC000370236416	high	5.89	-12.1	0	220.32	1.81	1	4	3	Cc1nnc2n1CCC[C@H]2N[C@H](C)C1CC1
342078279	ZINC000625290291	ref	4.7	-36.63	1	261.365	1.931	3	2	6	O[C@@H](C[NH2+]C1(c2ccccc2)CC1)CC1(O)CCC1
342078280	ZINC000625290291	high	3.5	-4.49	0	261.365	1.931	3	3	6	O[C@@H](CNC1(c2ccccc2)CC1)CC1(O)CCC1
342078281	ZINC000050926059	ref	6.06	-51.72	-1	295.387	1.55	0	7	8	CCCCn1nnnc1CN1CCC(CCC(=O)[O-])CC1
342078282	ZINC000050926059	low	8.6	-80.13	0	295.387	1.55	1	6	8	CCCCn1nnnc1C[NH+]1CCC(CCC(=O)[O-])CC1
342078283	ZINC000608845902	ref	4.17	-13.93	0	292.335	1.004	2	4	5	COC(=O)c1ccc(CNC(=O)C(C)(C)NC(C)=O)cc1
342088335	ZINC000121502263	mid	7.26	-75.97	2	290.411	1.751	1	2	3	CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@]2(C)CCC[NH2+]2)C1
342088336	ZINC000600314955	ref	6.4	-17.81	0	285.319	1.769	1	5	5	C[C@H](C(=O)Nc1cnn(CCF)c1)C(=O)OC(C)(C)C
214725026	ZINC000299567695	ref	4.98	-21.86	0	357.326	0.658	1	7	5	CCN(C(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)[C@@H]1CC(=O)NC1=O
342088337	ZINC000121380183	ref	4.67	-17.76	0	285.307	1.376	2	5	5	Cn1cncc1CCNC(=O)c1cc(-c2ccco2)n[nH]1
342088338	ZINC000121380183	low	5.19	-44.43	1	285.307	1.376	2	4	5	Cn1c[nH+]cc1CCNC(=O)c1cc(-c2ccco2)n[nH]1
342088339	ZINC000121433625	ref	4.5	-11.38	0	270.373	1.175	1	3	5	COC[C@H](NC(=O)[C@H]1CCCCN1C(C)=O)C(C)C
342088340	ZINC000621363511	ref	6.13	-32.41	1	282.428	1.728	2	2	3	C[C@@H](C(=O)N1CCCCCC1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342088341	ZINC000621363511	mid	5.91	-34.64	1	282.428	1.728	2	2	3	C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342088342	ZINC000621363511	high	3.53	-8.62	0	282.428	1.728	1	3	3	C[C@@H](C(=O)N1CCCCCC1)N1CC[C@@H](C)[C@@H](CO)C1
342088343	ZINC000121495076	ref	3.48	-12.09	0	284.363	1.806	2	3	4	O=C(NC1CC1)[C@@H]1CCCN1Cc1nc2ccccc2[nH]1
342088344	ZINC000121495076	low	5.82	-39.53	1	284.363	1.806	3	2	4	O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1nc2ccccc2[nH]1
342088345	ZINC000121495076	low	6.28	-43.68	1	284.363	1.806	3	2	4	O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1nc2ccccc2[nH]1
342088346	ZINC000121260306	ref	3.32	-44.26	1	297.443	1.134	3	2	6	C[C@@H]1C[NH+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342088347	ZINC000121260306	high	3.32	-44.26	1	297.443	1.134	2	3	6	C[C@@H]1CN(CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342088653	ZINC000121555209	low	8.45	-40.51	1	279.384	1.674	1	3	6	C[C@@H]1CCCC[C@@H]1OCC(=O)NCCc1c[nH+]cn1C
349534555	ZINC000621492732	ref	7.37	-10.48	0	272.339	3.004	1	1	3	CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@@H]1CC1(F)F
178300755	ZINC000237167178	ref	5.96	-57.77	1	369.469	1.625	2	3	3	C[NH2+]C1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1
178300759	ZINC000237156341	ref	6.7	-52.19	1	352.46	1.893	2	6	6	COC(=O)CCCc1nnc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)s1
343993791	ZINC000079910230	ref	4.81	-10.09	0	291.376	2.076	0	4	5	CC(C)N(Cc1ccccn1)S(=O)(=O)c1cccnc1
178300761	ZINC000237156500	ref	4.95	-61.67	1	354.472	1.8	2	4	7	COC(=O)c1ccccc1CS(=O)(=O)N[C@H](C[NH3+])C1CCCCC1
187169256	ZINC000125096058	ref	6.62	-9.87	0	267.756	3.221	0	2	3	CC[C@H]1CCN(C(=O)c2ccc(Cl)c(OC)c2)C1
187169257	ZINC000125099279	ref	6.0	-9.8	0	279.767	2.427	1	2	3	O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC[C@H]1CO
343993798	ZINC000079917292	ref	4.45	-12.9	0	253.264	2.259	1	2	4	C[C@H](C[C@H]1CCCO1)NC(=O)[C@@H](C)C(F)(F)F
178300765	ZINC000237170488	ref	3.87	-50.09	1	353.488	1.264	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@]2(C)CCCC[NH2+]2)cc1
178300769	ZINC000237170069	ref	4.46	-49.56	1	354.472	1.317	1	4	7	C[NH2+]C[C@@H]1CCCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)C1
178300771	ZINC000237162251	ref	4.87	-51.16	1	369.462	1.434	1	3	5	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1
178300775	ZINC000237169095	ref	2.85	-56.9	1	353.488	1.393	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C2([NH3+])CCCCC2)cc1
178300777	ZINC000237169095	high	3.38	-12.47	0	353.488	1.393	2	4	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C2(N)CCCCC2)cc1
178300782	ZINC000237156773	ref	9.04	-66.36	-1	357.41	1.889	1	6	6	COC[C@](C)(NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)C(=O)[O-]
343993803	ZINC000079910715	ref	7.15	-13.88	0	280.412	2.332	1	2	6	CCCC(=O)NC[C@@H]1CCCN(C(=O)CC2CCC2)C1
187169260	ZINC000125093278	ref	4.26	-15.58	0	274.324	2.351	2	4	3	C[C@H](c1cccc(O)c1)N(C)C(=O)Nc1ccnn1C
187169261	ZINC000125098836	ref	2.56	-10.18	0	296.367	2.224	2	4	5	COC[C@H](NC(=O)N[C@H]1CCOC(C)(C)C1)c1ccco1
293078008	ZINC000561316925	ref	9.02	-85.31	2	281.444	1.661	2	1	5	CN(CC1([NH+](C)C)CCC1)C(=O)C[N@@H+]1CCC(C)(C)C1
192339513	ZINC000421444530	ref	7.19	-6.63	0	221.344	2.729	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC12CC2
187169263	ZINC000125093348	ref	0.26	-17.26	0	268.317	0.004	2	6	5	C[C@@H](CO)NC(=O)c1cn(CC(=O)C(C)(C)C)nn1
187169264	ZINC000125099676	ref	5.14	-10.99	0	267.394	2.581	2	3	6	CC[C@H](SC)C(=O)N[C@@H](C)Cc1ccc(O)cc1
365633222	ZINC000172888916	ref	3.89	-6.68	0	265.353	1.721	0	4	6	COC[C@@H]1CN(CCOc2cccc(C)c2)CCO1
342078284	ZINC000625294425	ref	3.78	-14.66	0	269.345	1.496	1	5	9	CCC[C@@H](OCC)C(=O)NCCc1noc(CC)n1
349534556	ZINC000621234597	ref	5.63	-8.88	0	271.401	2.057	1	3	7	CC[C@@H](C)[C@H](O)C(=O)N1CC[C@@H](OCCC(C)C)C1
365633232	ZINC000172888916	mid	6.33	-39.92	1	265.353	1.721	1	3	6	COC[C@@H]1C[N@H+](CCOc2cccc(C)c2)CCO1
365633236	ZINC000172888916	mid	6.25	-40.01	1	265.353	1.721	1	3	6	COC[C@@H]1C[N@@H+](CCOc2cccc(C)c2)CCO1
365633246	ZINC000172888922	ref	3.99	-7.2	0	265.353	1.721	0	4	6	COC[C@H]1CN(CCOc2cccc(C)c2)CCO1
365633254	ZINC000172888922	mid	5.92	-38.3	1	265.353	1.721	1	3	6	COC[C@H]1C[N@H+](CCOc2cccc(C)c2)CCO1
365633260	ZINC000172888922	mid	6.31	-40.08	1	265.353	1.721	1	3	6	COC[C@H]1C[N@@H+](CCOc2cccc(C)c2)CCO1
365633266	ZINC000172891255	ref	4.02	-44.65	1	295.379	1.082	1	5	7	COC[C@@H]1CN(C[C@H](O)COc2ccccc2C)CCO1
365633277	ZINC000172891255	mid	4.07	-44.97	1	295.379	1.082	2	4	7	COC[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2C)CCO1
365633282	ZINC000172891255	mid	4.02	-44.65	1	295.379	1.082	2	4	7	COC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2C)CCO1
365633290	ZINC000172888663	ref	1.25	-13.97	0	292.332	1.069	1	4	7	COCCOc1ccc(NS(=O)(=O)N(C)C)cc1F
365633297	ZINC000172893496	ref	1.3	-23.35	0	299.392	1.426	2	4	5	Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)[C@H](C)CO)cc1C
365633312	ZINC000172889061	ref	4.64	-7.26	0	279.336	1.248	0	5	5	COC[C@H]1CN([C@H](C(=O)OC)c2ccccc2)CCO1
365633319	ZINC000172892095	ref	3.71	-5.68	0	257.28	1.812	0	3	4	COC[C@H]1CN(Cc2cc(F)ccc2F)CCO1
365633330	ZINC000172891249	ref	3.98	-45.05	1	295.379	1.082	1	5	7	COC[C@@H]1CN(C[C@@H](O)COc2ccccc2C)CCO1
365633338	ZINC000172891249	mid	4.06	-44.68	1	295.379	1.082	2	4	7	COC[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2C)CCO1
365633347	ZINC000172891249	mid	3.98	-45.05	1	295.379	1.082	2	4	7	COC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2C)CCO1
365633356	ZINC000565363084	ref	6.07	-51.26	1	289.383	1.297	2	5	5	C[N@H+](CC[C@@H]1CCCO1)C[C@@H]1CNc2c(C#N)cnn2C1
342078285	ZINC000625290909	ref	7.45	-104.17	2	267.373	1.153	2	2	7	Cc1cocc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C
342078286	ZINC000625290909	high	5.07	-38.45	1	267.373	1.153	1	3	7	Cc1cocc1C(=O)N(CCN(C)C)CC[NH+](C)C
342078287	ZINC000625290909	high	2.6	-8.4	0	267.373	1.153	0	4	7	Cc1cocc1C(=O)N(CCN(C)C)CCN(C)C
342078288	ZINC000625290566	ref	0.21	-43.0	1	265.353	1.709	4	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccc(O)c1
349534558	ZINC000621494265	ref	7.11	-9.96	0	274.355	3.109	1	1	3	CC(C)(C)[C@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349534561	ZINC000621492569	ref	7.72	-13.09	0	298.308	3.327	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CC[C@H]1c1ccc(F)cc1
282122213	ZINC000533469368	ref	5.21	-6.87	0	280.372	1.782	2	4	6	CC[C@@H](C)NC(=O)C(=O)Nc1ccnn1CCC(C)C
282122219	ZINC000533468263	ref	-0.16	-12.75	0	270.335	1.369	1	5	4	NS(=O)(=O)c1ccc(OCc2nccs2)cc1
398248423	ZINC000650870177	ref	6.66	-15.29	0	285.347	1.891	1	4	3	O=C(NCc1cc(=O)n2ccccc2n1)C1CCCCC1
349534565	ZINC000621493427	ref	6.88	-8.38	0	274.355	3.3	2	1	7	CCC[C@@H](NC(=O)NCC[C@@H]1CC1(F)F)C1CCC1
398248425	ZINC000650870779	ref	5.26	-16.54	0	293.342	1.919	2	2	2	O=C(NCc1cc2c([nH]c1=O)CCC2)N1CCC[C@H](F)C1
282122225	ZINC000533469369	ref	5.21	-6.88	0	280.372	1.782	2	4	6	CC[C@H](C)NC(=O)C(=O)Nc1ccnn1CCC(C)C
398248430	ZINC000650869690	ref	1.64	-10.56	0	286.351	1.545	3	4	7	CC(C)n1cc([C@H](C)NC(=O)N[C@H](CO)CCF)cn1
197591999	ZINC000162792438	ref	3.14	-38.82	1	306.366	1.082	2	5	6	CCCC[C@@H](C[NH3+])NC(=O)c1c(C)oc2ncn(C)c(=O)c12
197592001	ZINC000162787984	ref	6.19	-7.31	0	302.349	2.976	2	2	3	CC[C@H]1CCC[C@@H]1NC(=O)c1cc(=O)[nH]c2cc(F)ccc12
398248433	ZINC000650870634	ref	6.1	-22.97	0	297.305	1.289	1	3	3	O=C(NCCn1ccccc1=O)N1CC[C@@]2(C1)CC2(F)F
398248437	ZINC000650869938	ref	3.6	-10.89	0	282.388	1.937	2	4	6	CC(C)n1cc([C@@H](C)NC(=O)N(C)[C@H](C)CCO)cn1
342595090	ZINC000590772979	mid	5.53	-46.67	-1	295.31	1.945	0	4	2	CC(C)(C)OC(=O)C1CN(C(=O)c2ccc([O-])c(F)c2)C1
398248439	ZINC000650870722	ref	3.48	-8.26	0	270.373	1.527	2	3	7	C[C@H](COCC1CC1)NC(=O)NC[C@]1(C)CCOC1
398248443	ZINC000650869930	ref	1.07	-15.85	0	293.371	1.088	3	4	5	CC(C)n1cc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)cn1
342595091	ZINC000590773804	ref	2.14	-10.31	0	262.309	1.809	2	4	5	CC[C@](C)(CNC(=O)c1cc(O)cc(C#N)c1)OC
398248449	ZINC000650870586	ref	1.82	-11.1	0	270.373	1.073	2	3	4	C[C@@H](CO)C1CCN(C(=O)NCC2(C)COC2)CC1
398248453	ZINC000650869127	ref	5.29	-44.84	1	299.459	1.768	3	2	8	CCCC[N@H+](C)CCNC(=O)N1CCC([C@H](C)CO)CC1
342595092	ZINC000590773804	mid	2.9	-36.19	-1	262.309	1.809	1	4	5	CC[C@](C)(CNC(=O)c1cc([O-])cc(C#N)c1)OC
342595093	ZINC000590773017	ref	2.62	-10.76	0	252.27	1.088	0	5	2	CC(C)(C)OC(=O)C1CN(C(=O)c2cnco2)C1
342600495	ZINC000616999954	mid	5.72	-38.71	1	280.412	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@]23CCOC3)C1
178300757	ZINC000045795927	ref	6.43	-53.05	-1	246.266	1.406	0	5	2	Cc1cc2nc(C)c(=O)n(CC(=O)[O-])c2cc1C
214184250	ZINC000053458951	ref	5.43	-22.74	0	349.406	2.161	2	3	4	CC(=O)Nc1ccc(F)c(C(=O)NC2CCN(C(=O)C(C)C)CC2)c1
349534559	ZINC000621233747	ref	7.37	-16.31	0	293.411	2.109	0	4	7	CCn1ccc(CC(=O)N2CC[C@@H](OCCC(C)C)C2)n1
178300763	ZINC000031943793	ref	7.24	-8.16	0	228.32	3.908	1	2	1	Cc1cc2nc(-c3cccs3)[nH]c2cc1C
365633226	ZINC000354702401	ref	5.1	-10.71	0	275.283	1.815	1	4	6	O=C(NCCCOc1ccc(F)cc1)c1cncnc1
349534562	ZINC000621236565	ref	6.19	-13.13	0	288.395	2.008	0	4	3	CC[C@@H](C)C(=O)N1CCc2nnc(N3CCCC3)cc2C1
349534563	ZINC000621233831	ref	6.78	-16.45	0	293.411	2.282	0	4	6	CC(C)CCO[C@@H]1CCN(C(=O)C(C)(C)n2cccn2)C1
178300767	ZINC000004291311	ref	4.53	-11.5	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@@H](C(F)F)C[C@@H](C)N2
349534566	ZINC000621234571	ref	6.1	-12.16	0	291.395	2.371	0	4	5	Cc1cc(C(=O)N2CC[C@@H](OCCC(C)C)C2)c(C)nn1
349534569	ZINC000621233317	ref	4.14	-13.8	0	285.428	2.449	1	3	8	CCC(CC)(CO)C(=O)N1CC[C@@H](OCCC(C)C)C1
398248426	ZINC000649442976	ref	6.56	-53.48	1	240.306	2.747	2	1	2	CC(=O)c1c[nH]c2cc(C3=CC[NH2+]CC3)ccc12
178300770	ZINC000031943824	ref	6.49	-9.22	0	223.279	3.242	1	2	1	Cc1cc2nc(-c3ccncc3)[nH]c2cc1C
214184253	ZINC000053459868	ref	6.63	-15.12	0	336.391	3.339	2	3	4	CNC(=O)c1cccc(CNC(=O)c2oc3c(C)cccc3c2C)c1
398249512	ZINC000381272678	ref	1.18	-51.16	1	227.333	1.091	2	3	4	CCc1nc(C)c(C(=O)NC[C@@H](C)[NH3+])s1
190493464	ZINC000269426547	ref	5.37	-16.41	0	291.303	1.496	1	5	5	COC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc2c(c1)OCO2
214184257	ZINC000053453989	ref	6.28	-15.75	0	341.436	3.407	0	6	6	C[C@@H](Cc1nnc(SCc2ccn(C)c(=O)c2)o1)c1ccccc1
190597586	ZINC000270096782	ref	3.74	-19.15	0	278.377	1.808	2	2	5	C#CCCNC(=O)N[C@@H](C)c1ccc([S@](C)=O)cc1
168366003	ZINC000041053729	mid	2.55	-39.96	1	170.3	1.598	1	1	2	C[C@@H]([NH3+])[C@@H](C)N1CCCCCC1
214184262	ZINC000053455788	ref	3.91	-17.61	0	340.474	2.068	2	6	6	CC(C)NC(=O)CCNC(=O)c1cc2sc(N(C)C)nc2s1
214184266	ZINC000053445829	ref	3.35	-18.82	0	330.413	1.772	2	5	5	NC(=O)c1csc(C(=O)NCc2ccc(N3CCCC3)nc2)c1
214184270	ZINC000053445829	low	3.79	-45.56	1	330.413	1.772	2	4	5	NC(=O)c1csc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)c1
214184278	ZINC000053451205	ref	5.82	-39.63	1	346.441	2.006	2	7	4	CN(C(=O)CSc1nc(N)cc(N)[nH+]1)c1nc2ccccc2s1
365633234	ZINC000354702426	ref	1.11	-8.51	0	280.328	1.118	2	5	4	COc1nn(C)cc1NC(=O)N[C@H]1CCO[C@H]1C1CC1
365633243	ZINC000354701904	ref	4.47	-14.33	0	282.306	1.994	2	2	6	CC[C@H](C)[C@@H](NC(C)=O)C(=O)N[C@@H](C)CC(F)(F)F
365633250	ZINC000354703544	ref	3.2	-10.94	0	269.238	1.652	1	2	3	O=C(N1CC[C@@](O)(C(F)(F)F)C1)C1(CCF)CC1
365633257	ZINC000354703431	ref	1.66	-10.85	0	282.344	1.196	2	5	3	COc1nn(C)cc1NC(=O)N1CCC[C@@H]1C(C)(C)O
365633263	ZINC000354701712	ref	5.27	-8.23	0	298.452	1.309	0	4	3	CC[C@@H]1CN(C(=O)[C@H]2CCSC2)C[C@@H]1N1CCOCC1
365633269	ZINC000354701712	mid	6.81	-43.33	1	298.452	1.309	1	3	3	CC[C@@H]1CN(C(=O)[C@H]2CCSC2)C[C@@H]1[NH+]1CCOCC1
342078289	ZINC000625290566	high	-0.95	-6.09	0	265.353	1.709	4	4	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1cccc(O)c1
342078290	ZINC000608849090	ref	7.94	-9.34	0	285.384	1.848	0	4	8	COC(=O)[C@H](C)CN(C(=O)[C@H](C)OCC(C)C)C1CC1
365633274	ZINC000354702399	ref	3.85	-14.1	0	294.417	1.14	1	4	9	CCCC[C@@H](NS(=O)(=O)N(C)CC(C)C)C(=O)OC
365633280	ZINC000354702399	high	3.69	-43.02	-1	294.417	1.14	0	4	9	CCCC[C@@H]([N-]S(=O)(=O)N(C)CC(C)C)C(=O)OC
365633287	ZINC000639790074	ref	1.45	-11.76	0	282.365	1.746	1	6	8	CN(Cc1ccns1)C[C@@H](O)COCc1ccco1
342078291	ZINC000625294366	ref	6.48	-19.17	0	295.346	1.531	1	5	4	Cc1nnc(CNC(=O)Cc2cccc3cnccc23)n1C
365633294	ZINC000639790074	mid	3.86	-48.81	1	282.365	1.746	2	5	8	C[N@@H+](Cc1ccns1)C[C@@H](O)COCc1ccco1
342078292	ZINC000608846661	ref	5.29	-10.41	0	258.321	1.991	1	3	3	CC1(C(=O)NCc2ccc(C#N)cc2)CCOCC1
365633301	ZINC000639790074	mid	3.85	-46.47	1	282.365	1.746	2	5	8	C[N@H+](Cc1ccns1)C[C@@H](O)COCc1ccco1
365633307	ZINC000354703660	ref	6.7	-44.9	1	260.341	1.177	1	3	2	O=C(c1cncnc1)N1CC[NH+](C2CCCC2)CC1
365633316	ZINC000354703660	mid	4.34	-6.95	0	260.341	1.177	0	4	2	O=C(c1cncnc1)N1CCN(C2CCCC2)CC1
365633323	ZINC000457195383	ref	4.44	-11.0	0	273.336	1.888	1	4	3	CC1(C)C[C@@H](CNC(=O)c2cc(C#N)ccn2)CCO1
365633331	ZINC000354703236	ref	4.82	-41.67	1	283.416	1.585	3	2	4	C[C@H]1C[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CCO1
365633340	ZINC000354703236	mid	4.84	-41.26	1	283.416	1.585	3	2	4	C[C@H]1C[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCO1
365633349	ZINC000354703236	high	2.29	-8.58	0	283.416	1.585	2	3	4	C[C@H]1C[C@@H](NC(=O)NCCN2CCC[C@@H](C)C2)CCO1
342078293	ZINC000608846509	ref	4.13	-14.28	0	284.337	1.685	1	6	3	COC(=O)c1cnc(NC(=O)C2(C)CCOCC2)s1
365633355	ZINC000354701864	ref	4.28	-9.53	0	285.384	1.631	2	4	4	CC1(C)CC(C(=O)NC[C@](C)(O)C(=O)OC(C)(C)C)C1
398248429	ZINC000649442652	ref	4.27	-10.77	0	246.31	2.157	1	4	5	Cc1nn(C)cc1-c1ccccc1OCCCO
187169265	ZINC000125099845	ref	6.74	-47.62	1	279.277	3.359	1	1	6	COCC[C@@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
365633238	ZINC000336550536	ref	6.14	-15.21	0	294.782	2.307	1	2	2	CC(=O)N1CC[C@@H](NC(=O)c2cc(C)c(Cl)cc2C)C1
342595094	ZINC000590774085	ref	1.17	-11.97	0	260.293	1.249	2	4	1	C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(O)cc(C#N)c1
187169266	ZINC000125092493	ref	2.86	-15.6	0	258.347	0.535	1	4	6	CC[C@@H](C)OCC(=O)NCC1N=NC(=S)N1C
187169267	ZINC000125093206	ref	8.11	-47.22	1	288.435	2.859	2	1	8	C[C@@H](CC(C)(C)c1ccccc1)[NH2+]CCNC(=O)C1CC1
187169268	ZINC000125100896	ref	6.42	-42.47	1	275.348	2.767	1	3	8	COCc1ccc(C[NH2+]CCc2ccccc2OC)o1
365633245	ZINC000336550244	ref	4.36	-10.15	0	294.42	2.4	1	4	2	O=C([C@@H]1CCC[C@@H](O)C1)N1CCC(c2nccs2)CC1
365633255	ZINC000336550465	ref	2.74	-13.03	0	259.309	2.155	3	2	1	C[C@H]1C[C@H](O)CN1C(=O)Nc1ccc2cc[nH]c2c1
365633265	ZINC000336550615	ref	5.0	-40.96	1	258.774	2.409	0	4	2	Clc1cnc(CN2CC[C@@]3(CCOC3)C2)s1
365633271	ZINC000336550615	low	5.06	-40.67	1	258.774	2.409	1	3	2	Clc1cnc(C[N@@H+]2CC[C@@]3(CCOC3)C2)s1
365633276	ZINC000336550615	low	5.0	-40.96	1	258.774	2.409	1	3	2	Clc1cnc(C[N@H+]2CC[C@@]3(CCOC3)C2)s1
365633283	ZINC000336550731	ref	4.97	-15.7	0	288.347	2.034	1	3	3	CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@@]23CCOC3)c1
365633289	ZINC000336550329	ref	7.84	-12.24	0	264.373	2.342	1	4	2	C[C@@H]1CCCC[C@@H]1NC(=O)c1ncn(C(C)(C)C)n1
187169269	ZINC000125100896	high	5.05	-7.26	0	275.348	2.767	1	4	8	COCc1ccc(CNCCc2ccccc2OC)o1
365633299	ZINC000336550475	ref	6.53	-9.39	0	277.299	2.097	0	3	3	C[C@H](c1cncc(F)c1)N1C(=O)[C@@H](C)N(C2CC2)C1=O
365633311	ZINC000336550632	ref	7.16	-11.33	0	288.326	2.375	0	4	1	CC(C)(C)n1cc(C(=O)N2CCc3ccc(F)cc32)nn1
365633318	ZINC000336550421	ref	6.06	-52.67	1	290.338	2.371	2	2	3	C[C@H]1C[C@H](NC(=O)Cc2coc3cc(F)ccc23)CC[NH2+]1
199273003	ZINC000181261342	ref	4.33	-14.96	0	300.424	1.131	2	4	6	CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N[C@H](CC)CO
365633326	ZINC000336550120	ref	6.7	-45.38	1	298.39	2.289	3	2	3	C[C@@H]1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1C
187169270	ZINC000125095934	ref	3.44	-17.9	0	296.392	0.779	2	4	5	C[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)Cc1cccs1
365633333	ZINC000336550120	mid	7.09	-44.77	1	298.39	2.289	3	2	3	C[C@@H]1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@H+]1C
342078294	ZINC000625290882	ref	4.32	-10.08	0	293.404	1.955	0	3	4	CC1(C)C[C@H](S(=O)(=O)N2CCC[C@H](CCF)C2)CO1
349534560	ZINC000093283667	ref	1.09	-10.8	0	276.344	0.673	1	6	5	CCc1nc(CN2CCN(Cc3c[nH]cn3)CC2)no1
349534564	ZINC000093283667	mid	0.76	-9.84	0	276.344	0.673	1	6	5	CCc1nc(CN2CCN(Cc3cnc[nH]3)CC2)no1
349534567	ZINC000093283667	low	1.27	-38.55	1	276.344	0.673	1	5	5	CCc1nc(CN2CCN(Cc3c[nH+]c[nH]3)CC2)no1
349534570	ZINC000093283667	low	1.25	-38.39	1	276.344	0.673	1	5	5	CCc1nc(CN2CCN(Cc3c[nH]c[nH+]3)CC2)no1
342078295	ZINC000165689154	ref	4.7	-13.31	0	282.34	1.091	1	4	2	CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)C2CC2)C(=O)C1
398248434	ZINC000649443006	ref	3.67	-44.31	1	233.311	1.824	2	2	5	OCCCOc1cccc(C2=CC[NH2+]CC2)c1
343993792	ZINC000599269574	ref	4.09	-49.17	1	278.352	1.783	2	4	6	C[N@@H+](Cc1ccoc1)C[C@@H](O)CC1(C#N)CCOCC1
214184252	ZINC000337623277	high	2.81	-45.32	-1	290.22	2.025	1	3	3	C[C@H](CNC(=O)c1cc(F)cc2n[n-]nc12)C(F)(F)F
282122227	ZINC000082281050	ref	3.76	-51.49	1	263.345	0.017	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)CC2
190493471	ZINC000269428805	ref	3.32	-15.92	0	270.329	0.527	2	4	8	C=CC(=O)NCCC(=O)N[C@](C)(CCC)C(=O)OC
214184256	ZINC000337621811	ref	5.03	-48.81	-1	256.269	0.502	2	6	4	N=c1nc(CCNc2ncnc3ccccc23)o[n-]1
214184258	ZINC000337621811	low	4.63	-14.48	0	256.269	0.502	2	7	4	Nc1noc(CCNc2ncnc3ccccc23)n1
214184260	ZINC000337621183	ref	-0.85	-17.84	0	291.373	-0.659	2	4	5	CCCNC(=O)CNC(=O)N1CC[C@H](S(C)(=O)=O)C1
349534573	ZINC000093289561	ref	5.01	-55.8	1	254.355	0.737	1	3	4	CN(CCc1cccs1)C(=O)[C@H]1C[NH2+]CCO1
214184269	ZINC000337620597	ref	3.69	-9.39	0	298.289	2.055	2	3	4	O=C(NCc1ccc2c(c1)OCCO2)NC1(C(F)F)CC1
282122238	ZINC000171051304	ref	7.01	-17.15	0	345.834	2.541	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCc3cc(Cl)ccc31)CC2
398248438	ZINC000649442880	ref	6.33	-41.47	1	221.275	2.601	1	1	3	CCOc1ccc(F)cc1C1=CC[NH2+]CC1
282122269	ZINC000332139009	ref	3.99	-15.66	0	343.313	1.475	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1cn(C)nc1C(F)(F)F)CC2
214184273	ZINC000337621124	ref	6.6	-9.55	0	283.416	2.073	1	2	5	CC(C)CCC[C@H](C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1
342078296	ZINC000625294380	ref	4.83	-13.01	0	264.251	1.328	1	4	4	Cc1nnc(CNC(=O)C[C@H](C)C(F)(F)F)n1C
178300776	ZINC000359791990	ref	3.85	-10.03	0	244.323	2.94	2	4	3	Cc1cc2n[nH]cc2cc1NCc1cncs1
398248441	ZINC000649442882	ref	3.66	-47.05	1	226.226	2.06	1	2	3	FC(F)Oc1ccc(C2=CC[NH2+]CC2)nc1
398248444	ZINC000649442868	ref	3.83	-6.92	0	233.292	2.754	0	4	2	COc1nscc1-c1ccc2c(c1)CCO2
178300781	ZINC000301704861	ref	4.69	-11.25	0	227.271	1.975	1	4	1	Cc1cc2nc(-c3cn(C)nn3)[nH]c2cc1C
398248448	ZINC000649443015	ref	5.01	-48.18	1	230.311	1.699	2	1	3	CC(=O)NCc1ccc(C2=CC[NH2+]CC2)cc1
282123679	ZINC000338089910	ref	5.43	-41.46	1	327.513	2.451	4	2	8	CCC(CC)(CO)CNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1
398248452	ZINC000649443008	ref	2.09	-50.62	1	217.272	1.554	3	1	2	NC(=O)Nc1cccc(C2=CC[NH2+]CC2)c1
398248456	ZINC000649443035	ref	5.95	-44.06	1	221.275	2.349	1	1	3	COCc1ccc(C2=CC[NH2+]CC2)cc1F
214184259	ZINC000293560580	ref	6.42	-52.87	1	370.453	0.972	2	3	3	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2=O)cc1
343993795	ZINC000599269574	mid	4.15	-49.15	1	278.352	1.783	2	4	6	C[N@H+](Cc1ccoc1)C[C@@H](O)CC1(C#N)CCOCC1
398248459	ZINC000649442992	ref	7.63	-7.3	0	225.291	3.246	0	2	2	CCc1cccc(-c2ccc3c(c2)CCO3)n1
398248463	ZINC000649442937	ref	6.45	-48.39	1	243.306	2.337	1	2	1	Cc1cc2c(c(C3=CC[NH2+]CC3)c1)OCCC2=O
398248467	ZINC000649443017	ref	3.89	-48.3	1	244.294	1.783	2	2	1	C[C@@H]1Oc2ccc(C3=CC[NH2+]CC3)cc2NC1=O
398248471	ZINC000649442654	ref	6.73	-7.59	0	245.326	2.968	0	4	2	Cc1nn(C)cc1-c1ccc(OC(C)(C)C)nc1
398248474	ZINC000649443010	ref	5.14	-43.24	1	229.323	1.913	2	1	1	O[C@H]1CCc2cc(C3=CC[NH2+]CC3)ccc2C1
178300795	ZINC000012505981	ref	7.97	-53.4	-1	229.308	3.162	0	3	0	Cc1cc2n[n-]c(=S)n2c2c(C)cccc12
398248478	ZINC000649442631	ref	7.61	-6.24	0	227.307	3.844	0	2	3	Cc1ccc(-c2ccc(OC(C)C)cc2)cn1
398248480	ZINC000649442905	ref	4.9	-48.16	1	242.322	1.667	2	1	2	O=C1NCC[C@H]1c1cccc(C2=CC[NH2+]CC2)c1
398248485	ZINC000649442648	ref	3.8	-11.43	0	244.294	1.691	1	4	2	Cc1nn(C)cc1-c1ccc2c(c1)C[C@H](CO)O2
398248489	ZINC000649442959	ref	5.92	-46.35	1	245.366	2.623	2	1	4	CC(C)[C@H](O)Cc1ccccc1C1=CC[NH2+]CC1
398248493	ZINC000649443022	ref	3.38	-45.92	1	207.248	1.695	2	1	2	OCc1cc(F)cc(C2=CC[NH2+]CC2)c1
178300798	ZINC000012505981	mid	8.11	-12.73	0	229.308	3.162	1	3	0	Cc1cc2n[nH]c(=S)n2c2c(C)cccc12
398248495	ZINC000649442658	ref	8.62	-6.29	0	214.312	3.348	0	2	3	CCCc1ccc(-c2cn(C)nc2C)cc1
398248499	ZINC000649442899	ref	4.45	-51.12	1	214.272	1.345	1	3	1	Cn1nnc2cc(C3=CC[NH2+]CC3)ccc21
343993797	ZINC000139266444	ref	3.75	-6.73	0	194.278	1.239	1	2	1	C[C@@H]1NC2(CC2)C(=O)N1C1CCCC1
349534568	ZINC000621494286	ref	8.73	-10.34	0	294.345	3.108	1	1	3	Cc1ccc2c(c1)CCN(C(=O)NCC[C@@H]1CC1(F)F)C2
187169271	ZINC000125098283	ref	1.36	-19.59	0	278.308	0.326	2	4	8	COc1cccc(/C=C/C(=O)NCCOCC(N)=O)c1
187169272	ZINC000125098321	ref	4.86	-13.78	0	283.331	1.626	1	4	3	O=C(/C=C/c1cnc2ccccc2n1)N1CCC[C@H]1CO
349534571	ZINC000621493942	ref	8.26	-9.79	0	278.421	3.122	1	2	6	O=C(NCCCc1cccs1)N1CC(CC2CC2)C1
365633239	ZINC000576588601	ref	1.79	-57.8	1	238.335	0.767	2	3	5	C[C@H](C(=O)NC(C)(C)CC[NH3+])c1cnn(C)c1
299072166	ZINC000567665162	ref	5.3	-40.64	1	268.744	2.429	2	2	6	CCOc1cc(Cl)ccc1NC(=O)C[NH2+]C1CC1
365633247	ZINC000576589864	ref	7.83	-27.98	0	227.329	2.606	1	3	6	CCC[N@H+](CC)[C@@H](C(=O)[O-])c1ccsc1
187169275	ZINC000125102009	ref	5.5	-10.0	0	294.395	1.836	1	3	4	CCCNC(=O)[C@H]1CCCN(C(=O)C2=C(C)OCCC2)C1
187169276	ZINC000125095770	ref	3.61	-10.01	0	280.372	1.582	2	4	5	CCC[C@@H](C)c1cc(NC(=O)[C@H]2CN(C)CCO2)n[nH]1
187169277	ZINC000125095770	low	5.85	-40.51	1	280.372	1.582	3	3	5	CCC[C@@H](C)c1cc(NC(=O)[C@H]2C[N@H+](C)CCO2)n[nH]1
342078297	ZINC000625292489	ref	3.25	-6.77	0	296.333	1.8	1	3	5	C[C@H](NC(=O)C[C@@H](C)C(F)(F)F)[C@@H](C)N1CCOCC1
187169278	ZINC000125095770	low	6.04	-47.75	1	280.372	1.582	3	3	5	CCC[C@@H](C)c1cc(NC(=O)[C@H]2C[N@@H+](C)CCO2)n[nH]1
342078298	ZINC000625292489	mid	5.15	-40.9	1	296.333	1.8	2	2	5	C[C@H](NC(=O)C[C@@H](C)C(F)(F)F)[C@@H](C)[NH+]1CCOCC1
342078299	ZINC000625294438	ref	5.39	-15.05	0	299.334	1.561	1	6	5	CCc1nc(CCNC(=O)c2cc(C)cn3ccnc23)no1
342078300	ZINC000625294438	low	5.47	-35.33	1	299.334	1.561	1	5	5	CCc1nc(CCNC(=O)c2cc(C)cn3cc[nH+]c23)no1
342078301	ZINC000625290883	ref	4.46	-10.22	0	293.404	1.955	0	3	4	CC1(C)C[C@@H](S(=O)(=O)N2CCC[C@@H](CCF)C2)CO1
342078302	ZINC000031726374	ref	4.32	-8.4	0	276.384	1.21	1	3	3	CN1CCN(C(=O)NCc2ccc(N(C)C)cc2)CC1
342078303	ZINC000031726374	mid	6.7	-43.79	1	276.384	1.21	2	2	3	CN(C)c1ccc(CNC(=O)N2CC[NH+](C)CC2)cc1
342078304	ZINC000600311662	ref	6.26	-51.23	1	255.387	1.091	2	3	5	C[N@@H+]1CCCC[C@H](CNC(=O)CSCC#N)C1
342078305	ZINC000600311662	mid	6.33	-50.39	1	255.387	1.091	2	3	5	C[N@H+]1CCCC[C@H](CNC(=O)CSCC#N)C1
342078306	ZINC000625292044	ref	3.06	-8.02	0	252.358	1.012	1	3	4	C[C@@H](NC(=O)C12CC(C1)C2)[C@@H](C)N1CCOCC1
342078307	ZINC000625292044	low	5.4	-40.37	1	252.358	1.012	2	2	4	C[C@@H](NC(=O)C12CC(C1)C2)[C@@H](C)[NH+]1CCOCC1
365633258	ZINC000576589864	mid	7.81	-28.68	0	227.329	2.606	1	3	6	CCC[N@@H+](CC)[C@@H](C(=O)[O-])c1ccsc1
342078308	ZINC000625294381	ref	4.83	-12.86	0	264.251	1.328	1	4	4	Cc1nnc(CNC(=O)C[C@@H](C)C(F)(F)F)n1C
365633267	ZINC000576587891	ref	8.48	-51.41	-1	235.247	0.342	0	7	3	Cc1nc(N(C)[C@@H](C)C(=O)[O-])cc2nncn12
365633278	ZINC000576592490	ref	6.86	-8.08	0	215.312	2.629	0	1	3	CC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](F)C1
365633288	ZINC000576588313	ref	5.41	-8.67	0	229.364	2.431	1	2	3	CN(C(=O)C[C@H](O)CC(C)(C)C)C(C)(C)C
365633296	ZINC000576588090	ref	7.54	-7.81	0	221.344	3.132	0	1	1	CC1=C(C)C[C@H](C(=O)N2[C@H](C)C[C@H]2C)CC1
365633302	ZINC000576587897	ref	8.44	-50.52	-1	235.247	0.342	0	7	3	Cc1nc(N(C)[C@H](C)C(=O)[O-])cc2nncn12
342078309	ZINC000608849055	ref	8.04	-10.49	0	290.363	1.814	0	4	7	COC(=O)[C@@H](C)CN(C(=O)CCc1cccnc1)C1CC1
342078310	ZINC000625292490	ref	3.12	-6.76	0	296.333	1.8	1	3	5	C[C@H](NC(=O)C[C@@H](C)C(F)(F)F)[C@H](C)N1CCOCC1
365633310	ZINC000576588734	ref	7.07	-32.73	1	226.408	2.741	1	1	7	CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C1CC1)N(C)C
342078311	ZINC000625292490	mid	5.14	-40.24	1	296.333	1.8	2	2	5	C[C@H](NC(=O)C[C@@H](C)C(F)(F)F)[C@H](C)[NH+]1CCOCC1
342078312	ZINC000625294428	ref	1.3	-9.74	0	299.383	1.748	2	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)NC1CC(CO)C1
342078313	ZINC000625292487	ref	3.12	-6.76	0	296.333	1.8	1	3	5	C[C@H](NC(=O)C[C@H](C)C(F)(F)F)[C@H](C)N1CCOCC1
365633314	ZINC000576588734	mid	8.73	-109.39	2	226.408	2.741	2	0	7	CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C
342078314	ZINC000625292487	mid	5.14	-40.14	1	296.333	1.8	2	2	5	C[C@H](NC(=O)C[C@H](C)C(F)(F)F)[C@H](C)[NH+]1CCOCC1
365633321	ZINC000576587155	ref	1.3	-10.03	0	225.292	0.65	2	4	5	CCn1ccc(C(=O)NC[C@H](O)C(C)C)n1
365633327	ZINC000175966431	ref	4.23	-10.22	0	214.309	1.605	1	2	4	COC(C)(C)C[C@H](C)NC(=O)N1CCC1
342078315	ZINC000625292733	ref	2.41	-8.77	0	261.387	1.662	1	3	3	CC1(C)CC(NS(=O)(=O)[C@@H]2COC(C)(C)C2)C1
365633343	ZINC000175967215	ref	3.4	-14.68	0	243.328	0.29	0	3	2	O=C([C@H]1C[C@H]1C1CC1)N1CCS(=O)(=O)CC1
342078316	ZINC000625292555	ref	3.32	-9.72	0	286.416	1.273	1	4	7	CCO[C@H](C(=O)N[C@H](C)[C@@H](C)N1CCOCC1)C(C)C
365633352	ZINC000576590049	ref	4.29	-86.57	2	245.37	1.126	2	1	3	C[NH2+][C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1
342078317	ZINC000625292555	low	5.73	-42.8	1	286.416	1.273	2	3	7	CCO[C@H](C(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C
342078318	ZINC000608846470	ref	5.28	-10.87	0	258.321	1.991	1	3	3	CC1(C(=O)NCc2cccc(C#N)c2)CCOCC1
365633362	ZINC000576590319	ref	0.18	-14.21	0	244.316	-0.278	2	3	4	NS(=O)(=O)C1(C(=O)N[C@@H]2C[C@H]2C2CC2)CC1
365633371	ZINC000175967244	ref	3.55	-15.08	0	243.328	0.29	0	3	2	O=C([C@@H]1C[C@H]1C1CC1)N1CCS(=O)(=O)CC1
349534572	ZINC000621230449	ref	4.46	-9.99	0	263.263	2.128	1	3	4	Cn1cc(C(=O)NCC(C)(C)CC(F)(F)F)cn1
349534575	ZINC000621233669	ref	7.14	-12.57	0	291.395	2.107	0	4	5	CC(C)CCO[C@@H]1CCN(C(=O)c2cnc3n2CCC3)C1
299072521	ZINC000354604281	ref	1.65	-15.1	0	328.39	0.666	2	5	6	CC[C@@](C)(NS(=O)(=O)c1ccc(C(=O)NC)cc1)C(=O)OC
349534577	ZINC000621233801	ref	6.81	-12.51	0	280.343	2.498	0	3	5	CC(C)CCO[C@@H]1CCN(C(=O)c2ncccc2F)C1
342078319	ZINC000617964380	ref	6.93	-15.51	0	273.336	1.94	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2ncn3ccc(C)cc23)C1
342078320	ZINC000625290567	ref	0.21	-42.53	1	265.353	1.709	4	3	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccc(O)c1
342078321	ZINC000625290567	high	-0.94	-6.6	0	265.353	1.709	4	4	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1cccc(O)c1
342078322	ZINC000031705550	ref	1.82	-10.45	0	294.355	1.367	2	5	7	CCOC(=O)N[C@H](CNC(=O)c1cnccn1)CC(C)C
349534581	ZINC000621234695	ref	3.65	-8.14	0	296.367	2.351	0	5	7	CCOc1nc(C(=O)N2CC[C@@H](OCCC(C)C)C2)co1
199273004	ZINC000294964762	ref	2.69	-11.98	0	292.379	1.17	1	4	7	COCCOCc1ccc(CN2CC(=O)N[C@@H](C)C2)cc1
199273005	ZINC000294964762	low	4.96	-50.17	1	292.379	1.17	2	3	7	COCCOCc1ccc(C[N@H+]2CC(=O)N[C@@H](C)C2)cc1
349534585	ZINC000621233640	ref	8.69	-9.93	0	293.411	2.498	0	4	7	CC(C)CCO[C@@H]1CCN(C(=O)C[C@H](C)n2ccnc2)C1
342078323	ZINC000625292261	ref	3.13	-10.3	0	271.386	1.752	1	4	6	C=CCCC(C)(C)NS(=O)(=O)c1cnc(C)n1C
214184263	ZINC000293557462	ref	4.7	-19.37	0	359.382	0.782	2	5	2	COC(=O)[C@H]1C[C@@H](C)CCN1C(=O)c1ccc2c(c1)NC(=O)CNC2=O
342078324	ZINC000608846723	ref	3.18	-13.67	0	284.337	1.388	2	5	4	COC(=O)c1ccc(NC(=O)C(C)(C)NC(C)=O)s1
214184267	ZINC000293556913	ref	6.84	-17.44	0	352.395	0.269	2	7	3	Cn1cnc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1
342078325	ZINC000625292218	ref	6.98	-12.64	0	298.362	1.399	0	6	7	COCc1nnc(N2CCO[C@H](CCF)C2)n1CC1CC1
214184275	ZINC000293556992	ref	2.95	-22.56	0	373.409	0.659	2	5	5	NC(=O)COc1cccc(NC(=O)C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)c1
214184279	ZINC000293561708	ref	4.45	-17.9	0	355.276	0.125	1	5	2	N#Cc1ccc(NC(=O)C(=O)N2CCN(CC(F)(F)F)C(=O)C2)nc1
214184287	ZINC000293564716	ref	1.93	-7.93	0	362.43	0.524	3	6	4	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cccnc1N1CCOCC1
214184292	ZINC000293559335	ref	1.14	-13.42	0	355.412	0.835	2	6	7	COCc1cc(C(=O)OC)cc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)c1
214184268	ZINC000278483374	ref	6.28	-12.42	0	318.421	2.356	1	4	5	CCO[C@H]1C[C@@H](N(C)C(=O)NCc2cccnn2)C12CCCC2
178300785	ZINC000237170115	ref	4.77	-48.59	1	361.486	1.765	2	4	9	COc1cc(/C=C/C(=O)NCCN2CC[NH2+]CC2)ccc1OCC(C)C
365633273	ZINC000625067198	ref	6.79	-11.75	0	305.374	2.45	1	4	6	CCO[C@@H](C(=O)N[C@@H]1CCOc2c(OC)cccc21)C1CC1
178300788	ZINC000237173459	ref	5.06	-94.71	2	354.454	1.294	4	2	8	C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2)c1
365633281	ZINC000625068368	ref	7.31	-9.92	0	318.425	2.187	1	6	9	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CCOCC1CC1
214184272	ZINC000278483239	ref	9.27	-48.43	1	302.462	3.417	1	1	6	C[C@H](CC[NH2+][C@@H]1CCC[C@@H](C(=O)N(C)C)C1)c1ccccc1
185087743	ZINC000096073418	mid	6.4	-40.84	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
136229143	ZINC000232465615	low	4.95	-126.23	2	248.326	1.299	2	2	4	c1cc2c(cc1C[NH2+]C[C@H]1CCC[NH2+]1)OCCO2
136229144	ZINC000232471470	ref	4.24	-11.32	0	233.3	1.818	1	6	4	c1cnnc(CNc2nc(C3CC3)ns2)c1
136229145	ZINC000184907001	ref	6.59	-10.36	0	230.311	2.452	1	2	5	CC#CCCCC(=O)N[C@H](C)c1ccccn1
185087745	ZINC000096073418	mid	6.56	-42.44	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
178300792	ZINC000237173459	mid	4.75	-50.55	1	354.454	1.294	4	3	8	C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H](N)c2ccccc2)c1
178300794	ZINC000237173459	high	2.27	-15.18	0	354.454	1.294	3	4	8	CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H](N)c2ccccc2)c1
214184276	ZINC000278483334	ref	9.41	-10.41	0	314.389	1.937	1	6	7	CCOC(=O)[C@H](NCc1cnc(N(C)C)nc1)c1ccccc1
214184281	ZINC000278484539	ref	3.45	-12.2	0	315.215	1.235	0	4	2	CC(=O)N1CCN(Cc2c(Br)cnn2C)[C@@H](C)C1
136229146	ZINC000184905382	ref	10.13	-11.88	0	243.35	3.147	0	1	5	CC#CCCCC(=O)N(C)Cc1ccc(C)cc1
214184285	ZINC000278483107	ref	7.05	-12.18	0	314.838	2.488	1	3	5	CC(C)NC(=O)CN(C)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1
214184290	ZINC000278484405	ref	6.59	-7.64	0	314.288	2.228	1	4	4	C[C@H]1COCC[C@H]1NC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1
214184295	ZINC000278484536	ref	3.45	-10.51	0	315.215	1.235	0	4	2	CC(=O)N1CCN(Cc2c(Br)cnn2C)[C@H](C)C1
214184298	ZINC000278483504	ref	3.11	-21.07	0	323.386	1.496	0	3	2	C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2F)CC[S@@]1=O
214184304	ZINC000278482995	ref	8.13	-52.76	1	308.447	2.077	2	3	9	CC[N@H+](C)Cc1cccc(CNC(=O)CSCC(C)=O)c1
365633292	ZINC000274356929	ref	3.9	-46.36	1	277.372	1.168	4	2	4	Cc1n[nH]cc1CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1
342595095	ZINC000590774085	mid	1.93	-36.24	-1	260.293	1.249	1	4	1	C[C@@H]1[C@@H](O)CCCN1C(=O)c1cc([O-])cc(C#N)c1
214184277	ZINC000337622690	ref	1.17	-13.22	0	259.346	0.395	2	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC[C@@H](O)C1
214184280	ZINC000337624173	ref	9.94	-10.16	0	298.39	2.418	1	4	6	CC[C@@H]1C[C@]1(NC(=O)CCn1cncn1)c1cccc(C)c1
187169279	ZINC000125093405	ref	5.69	-5.16	0	286.734	3.12	1	2	1	C[C@H]1OCCN(C(=O)Nc2ccc(F)cc2Cl)[C@@H]1C
282122217	ZINC000248970293	ref	6.02	-12.85	0	316.401	1.807	2	3	4	C[C@@H]1CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)[C@@H]1CO
185087747	ZINC000096073418	high	3.94	-7.65	0	279.384	1.817	1	4	5	COCC[C@H]1CO[C@]2(CCCN(Cc3cnc[nH]3)C2)C1
185087749	ZINC000096074121	ref	6.02	-47.28	1	293.367	1.308	1	4	2	Cc1nocc1C(=O)N1CCC2(CC1)C[C@@H]([NH+](C)C)CO2
187169281	ZINC000125099667	ref	4.82	-10.03	0	287.363	2.271	1	4	6	CN(CCC1OCCO1)Cc1nc(-c2ccccc2)c[nH]1
365633303	ZINC000274356929	mid	3.82	-46.49	1	277.372	1.168	4	2	4	Cc1n[nH]cc1CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1
398248455	ZINC000650869127	mid	5.31	-44.83	1	299.459	1.768	3	2	8	CCCC[N@@H+](C)CCNC(=O)N1CCC([C@H](C)CO)CC1
342595096	ZINC000590775362	ref	7.5	-37.39	1	282.384	1.176	2	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CC[N@H+](C)C1
342595097	ZINC000590775362	mid	7.49	-34.72	1	282.384	1.176	2	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1
342595098	ZINC000590774075	ref	4.19	-13.2	0	271.357	1.338	1	4	4	COC(=O)CC(C)(C)CC(=O)N1CCC[C@@H](O)[C@@H]1C
342595099	ZINC000590773821	ref	6.05	-12.14	0	293.363	1.947	1	4	7	CC[C@@](C)(CNC(=O)c1cccc(CC(=O)OC)c1)OC
342595100	ZINC000590773826	ref	7.71	-20.3	0	299.309	1.483	1	5	5	N#Cc1ncn(CC(=O)NCc2cc(C3CC3)ccc2F)n1
187169282	ZINC000125099667	mid	6.94	-42.18	1	287.363	2.271	2	3	6	C[N@H+](CCC1OCCO1)Cc1nc(-c2ccccc2)c[nH]1
342595101	ZINC000590774431	ref	7.3	-12.44	0	297.395	1.851	0	4	4	COC[C@]1(C)CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)OC)C1
342595102	ZINC000590773833	ref	3.2	-13.21	0	283.393	1.969	1	3	6	CC[C@](C)(CNC(=O)c1cccc([S@](C)=O)c1)OC
342595103	ZINC000590775427	ref	5.33	-8.93	0	294.351	1.796	1	5	6	COc1ccnc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)c1
342595104	ZINC000590775280	ref	6.74	-13.7	0	266.341	1.773	1	4	6	CC(C)OC(=O)[C@@H](NC(=O)CC1(C#N)CC1)C(C)C
342595105	ZINC000590774580	ref	4.41	-9.75	0	288.25	1.626	1	5	4	COC(=O)c1cc(C(=O)NC[C@H]2CCCC2(F)F)on1
342595106	ZINC000590773831	ref	3.2	-23.57	0	283.393	1.969	1	3	6	CC[C@](C)(CNC(=O)c1cccc([S@@](C)=O)c1)OC
136229147	ZINC000184902643	ref	9.72	-10.72	0	245.322	2.751	0	3	7	CC#CCCCC(=O)OCCCc1ccncc1
136229148	ZINC000292815560	ref	5.89	-33.61	1	249.354	2.978	2	2	8	C=CCOCC[N@@H+](CC)[C@@H](C)c1cccc(O)c1
398248458	ZINC000650869127	high	3.0	-10.44	0	299.459	1.768	2	3	8	CCCCN(C)CCNC(=O)N1CCC([C@H](C)CO)CC1
398248462	ZINC000650869781	ref	2.47	-8.45	0	254.374	1.884	3	2	6	CC1(C)C[C@@H]1CNC(=O)NCCC1(CO)CCC1
178300799	ZINC000237169280	ref	3.24	-50.54	1	373.457	1.178	1	6	8	COCC[NH2+]CC(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1
398248466	ZINC000650870539	ref	4.85	-11.43	0	274.311	1.854	1	2	2	CC1(CNC(=O)N2CCC3(CC2)CC3(F)F)COC1
178300801	ZINC000237169280	high	1.89	-15.18	0	373.457	1.178	1	7	8	COCCNCC(=O)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1
178300803	ZINC000237170009	ref	4.96	-48.19	1	365.499	1.121	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CC23CC[NH2+]CC3)cc1
398248469	ZINC000650870657	ref	3.75	-8.05	0	270.373	1.622	1	3	3	CC[C@H]1COC(C)(C)CN1C(=O)NCC1(C)COC1
398248473	ZINC000650869990	ref	1.42	-10.52	0	270.373	1.263	3	3	5	CC1(C)C[C@@H]1CNC(=O)NCC[C@@]1(O)CCCOC1
349534574	ZINC000621491885	ref	4.26	-14.96	0	298.346	3.189	2	4	5	CC[C@@H]1C[C@H]1NC(=O)Nc1ccc(Oc2cccnn2)cc1
398248477	ZINC000650869839	ref	4.56	-11.43	0	292.383	1.549	1	4	3	Cn1nccc1[C@@H]1COCCN1C(=O)NC[C@H]1CC1(C)C
349534579	ZINC000621493196	ref	7.52	-13.08	0	286.322	3.165	1	2	6	CCN(Cc1occc1C)C(=O)NCC[C@H]1CC1(F)F
349534583	ZINC000621493954	ref	7.93	-9.59	0	298.377	3.109	1	1	3	C[C@]12CN(C(=O)NCC[C@H]3CC3(F)F)C[C@H]1[C@@H]1CC[C@H]2C1
349534586	ZINC000621492099	ref	7.74	-9.99	0	272.339	3.029	1	1	5	C=CC[C@@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349534591	ZINC000621492748	ref	6.76	-11.48	0	280.318	3.018	2	1	4	O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CCc2ccccc21
398248479	ZINC000650869976	ref	9.54	-16.12	0	291.399	1.746	1	4	4	CC1(C)C[C@@H]1CNC(=O)N1CCC(Cn2cnnc2)CC1
178305803	ZINC000058584336	ref	5.83	-8.86	0	245.326	1.943	0	4	2	Cc1cc2ncn(CN3CCOCC3)c2cc1C
190493485	ZINC000269426566	ref	4.64	-14.57	0	299.334	2.035	1	6	4	Cc1c(C(=O)Nc2ccc(OC(C)C)c(C#N)c2)nnn1C
398248484	ZINC000650869231	ref	4.62	-12.39	0	283.441	1.763	1	3	3	O=C(NCCN1CCSCC1)N1CCC12CCCC2
136229149	ZINC000292815560	mid	6.25	-34.52	1	249.354	2.978	2	2	8	C=CCOCC[N@H+](CC)[C@@H](C)c1cccc(O)c1
365633293	ZINC000625069216	ref	7.46	-43.72	1	320.433	2.369	1	4	7	Cc1cccc(NC(=O)CN(C)CCOC2CCOCC2)c1C
178300802	ZINC000002784549	ref	6.55	-9.3	0	249.22	3.235	0	4	2	Cc1cc2nc(-c3ccco3)cc(C(F)F)n2n1
219047889	ZINC000097681784	ref	5.63	-12.62	0	335.473	1.639	2	4	6	CN(CCCNC(=O)[C@H]1CSC(C)(C)C(=O)N1)c1ccccc1
214184283	ZINC000053451205	mid	5.34	-19.79	0	346.441	2.006	2	8	4	CN(C(=O)CSc1nc(N)cc(N)n1)c1nc2ccccc2s1
214184286	ZINC000053457033	ref	5.58	-15.52	0	328.359	2.351	0	4	5	COc1cc(CN2CCCN(C(C)=O)CC2)ccc1OC(F)F
178300807	ZINC000002731996	ref	5.65	-8.14	0	245.248	2.889	1	3	1	Cc1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](C1CC1)N2
214184288	ZINC000053457033	mid	7.8	-50.46	1	328.359	2.351	1	3	5	COc1cc(C[N@@H+]2CCCN(C(C)=O)CC2)ccc1OC(F)F
398248470	ZINC000651459345	ref	7.47	-8.26	0	250.386	3.151	1	1	3	CCC1(CC)CN(C(=O)NC2CC3(CCC3)C2)C1
214184291	ZINC000053457033	mid	7.8	-49.23	1	328.359	2.351	1	3	5	COc1cc(C[N@H+]2CCCN(C(C)=O)CC2)ccc1OC(F)F
214184294	ZINC000053455855	ref	7.87	-12.82	0	330.334	2.634	1	2	4	O=C(NCc1cccc(F)c1)[C@H]1CCN(c2ccc(F)cc2)C1=O
398248475	ZINC000651459937	ref	6.5	-45.48	1	281.346	3.093	2	1	3	O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCc2c(F)cc(F)cc21
214184300	ZINC000053460375	ref	6.19	-15.88	0	340.343	1.659	1	7	5	Cn1cc(C(=O)NCc2ccnn2C)c(-c2ccc([N+](=O)[O-])cc2)n1
178300824	ZINC000361835227	ref	6.81	-7.85	0	237.262	3.311	1	3	1	Cc1cc2nc(-c3ccc(C#N)o3)[nH]c2cc1C
214184305	ZINC000053463088	ref	5.75	-16.48	0	347.415	1.259	1	4	4	CC(=O)N[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)C1CCCC1
214184310	ZINC000053464164	ref	2.87	-24.27	0	345.424	2.166	3	4	6	CC(C)NC(=O)Cc1ccc(NC(=O)c2cc(C(N)=O)cs2)cc1
398248481	ZINC000651460131	ref	8.49	-7.77	0	262.397	3.151	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC[C@H](C2CCC2)C1
178300835	ZINC000359795221	ref	2.99	-11.68	0	227.271	2.207	3	3	3	Cc1cc2n[nH]cc2cc1NCc1cc[nH]n1
214184313	ZINC000053455361	ref	4.9	-19.24	0	344.396	1.711	2	5	3	O=C(Nc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1nccs1
214184317	ZINC000053456521	ref	5.29	-9.03	0	348.491	2.279	0	5	4	Cc1cc(CN2CCN([C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)CC2)on1
214184321	ZINC000053456521	low	7.42	-37.55	1	348.491	2.279	1	4	4	Cc1cc(CN2CC[NH+]([C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)CC2)on1
168366005	ZINC000041053729	low	4.11	-106.75	2	170.3	1.598	2	0	2	C[C@@H]([NH3+])[C@@H](C)[NH+]1CCCCCC1
365633295	ZINC000617415424	ref	5.99	-43.98	1	250.346	0.792	2	3	4	Cc1cnn(CCC(=O)N[C@@H]2CCC[N@@H+](C)C2)c1
365633304	ZINC000617415424	mid	5.46	-42.94	1	250.346	0.792	2	3	4	Cc1cnn(CCC(=O)N[C@@H]2CCC[N@H+](C)C2)c1
342595107	ZINC000590775265	ref	4.57	-9.12	0	267.329	1.424	2	4	5	Cc1c[nH]nc1C(=O)N[C@H](C(=O)OC(C)C)C(C)C
365633308	ZINC000617415424	high	3.1	-8.79	0	250.346	0.792	1	4	4	Cc1cnn(CCC(=O)N[C@@H]2CCCN(C)C2)c1
342595108	ZINC000590774105	ref	5.11	-14.73	0	291.347	1.387	1	4	3	COC(=O)Cc1cccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)c1
365633317	ZINC000617415712	ref	1.35	-23.53	0	288.413	0.554	1	4	4	CN1CCC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1
197592033	ZINC000162790609	ref	7.47	-14.04	0	305.296	3.092	1	3	8	C[C@@H](CCOc1ccccc1)C(=O)NOCCC(F)(F)F
342595109	ZINC000590773808	ref	3.2	-20.08	0	283.393	1.969	1	3	6	CC[C@@](C)(CNC(=O)c1ccc([S@@](C)=O)cc1)OC
185087752	ZINC000096074121	high	3.61	-9.17	0	293.367	1.308	0	5	2	Cc1nocc1C(=O)N1CCC2(CC1)C[C@@H](N(C)C)CO2
185087754	ZINC000096072642	ref	5.5	-11.23	0	297.362	1.722	1	6	3	c1cncc(N[C@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)c1
136229150	ZINC000292815560	high	3.84	-4.34	0	249.354	2.978	1	3	8	C=CCOCCN(CC)[C@@H](C)c1cccc(O)c1
185087756	ZINC000096074622	ref	2.84	-5.61	0	297.424	1.461	0	6	4	COCCN1CCOCC12CCN(c1nccs1)CC2
185087758	ZINC000096074622	mid	5.33	-35.72	1	297.424	1.461	1	5	4	COCC[N@@H+]1CCOCC12CCN(c1nccs1)CC2
343994962	ZINC000114416484	low	8.51	-29.19	1	212.296	3.342	1	0	3	C=C(c1[nH]cc[nH+]1)c1cccc(C)c1CC
185087760	ZINC000096074622	mid	5.0	-35.98	1	297.424	1.461	1	5	4	COCC[N@H+]1CCOCC12CCN(c1nccs1)CC2
185386239	ZINC000096746463	ref	5.96	-12.51	0	323.462	2.484	3	3	5	Cc1ccc(CNC(=S)NCCNC(=O)OC(C)(C)C)cc1
282122221	ZINC000183877904	ref	5.78	-38.88	1	319.467	1.911	1	4	7	CCC(CC)(C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)OC
365633325	ZINC000617415712	low	3.71	-57.93	1	288.413	0.554	2	3	4	C[N@@H+]1CCC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1
398248476	ZINC000457192861	ref	7.13	-6.64	0	233.302	2.829	1	1	3	C[C@H]1[C@@H](C(=O)N[C@H](C)CC(C)(C)C)C1(F)F
342595110	ZINC000590775596	ref	7.97	-11.91	0	283.368	1.649	1	4	5	CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
197592037	ZINC000162794790	ref	4.14	-11.07	0	312.675	2.748	1	4	6	CCOc1ncc(C(=O)NOCCC(F)(F)F)cc1Cl
342595111	ZINC000590775332	ref	2.66	-50.07	-1	283.328	1.13	2	5	5	Cc1n[nH]c(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)c1[O-]
342595112	ZINC000590774081	ref	4.36	-10.61	0	295.31	1.598	1	4	2	COC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@H]2C)cc1F
197592039	ZINC000162794371	ref	7.29	-11.64	0	324.446	2.075	0	5	4	CCc1noc(CC)c1CC(=O)N1CCS[C@@H]2COCC[C@@H]21
187169283	ZINC000125099667	mid	7.14	-41.8	1	287.363	2.271	2	3	6	C[N@@H+](CCC1OCCO1)Cc1nc(-c2ccccc2)c[nH]1
187169284	ZINC000125100123	ref	7.67	-39.49	1	290.407	2.604	2	2	6	CC[C@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1
349534576	ZINC000618812921	ref	5.9	-23.34	0	295.346	1.944	0	5	3	Cc1nc2ccccc2cc1C(=O)N(C)Cc1cn(C)nn1
349534580	ZINC000618813052	ref	5.51	-12.44	0	288.347	1.856	0	5	7	COCCN(CC(=O)OC)Cc1ccc2cnccc2c1
197592043	ZINC000162799330	ref	5.74	-15.19	0	318.417	1.875	2	3	6	CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](O)c2ccccc2)C1
197592053	ZINC000162799184	ref	3.9	-16.75	0	324.45	2.294	2	4	5	CCC(=O)N[C@@H]1CCCN(C(=O)N[C@@H](CC)c2nccs2)C1
187169285	ZINC000125100123	mid	7.74	-39.75	1	290.407	2.604	2	2	6	CC[C@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1
187169286	ZINC000125100123	high	4.91	-8.19	0	290.407	2.604	1	3	6	CC[C@H]1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)C1
187169287	ZINC000125095467	ref	2.86	-12.38	0	296.754	1.19	2	3	4	C[C@@H](CO)NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O
187169288	ZINC000125095852	ref	4.3	-13.65	0	294.351	1.405	2	4	4	CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2CO)c1C
342078326	ZINC000617964313	ref	5.01	-9.53	0	293.371	1.016	1	6	5	CCO[C@@H]1C[C@@H](NC(=O)C2(n3cnnn3)CCCCC2)C1
342078327	ZINC000625292045	ref	3.38	-8.54	0	252.358	1.012	1	3	4	C[C@H](NC(=O)C12CC(C1)C2)[C@H](C)N1CCOCC1
342078328	ZINC000625292045	low	5.39	-40.4	1	252.358	1.012	2	2	4	C[C@H](NC(=O)C12CC(C1)C2)[C@H](C)[NH+]1CCOCC1
342078329	ZINC000625292741	ref	3.03	-14.43	0	260.297	1.068	2	5	3	Cc1cccc(O)c1C(=O)NCc1nnc(C)n1C
342078330	ZINC000625292741	high	3.8	-50.46	-1	260.297	1.068	1	5	3	Cc1cccc([O-])c1C(=O)NCc1nnc(C)n1C
342078331	ZINC000625294489	ref	4.01	-38.82	1	291.391	1.94	3	3	7	COc1ccc(C2([NH2+]C[C@H](O)CC3(O)CCC3)CC2)cc1
342078332	ZINC000625294489	high	2.99	-5.43	0	291.391	1.94	3	4	7	COc1ccc(C2(NC[C@H](O)CC3(O)CCC3)CC2)cc1
342078333	ZINC000617964306	ref	4.85	-8.67	0	255.358	1.877	1	3	6	CCO[C@@H]1C[C@@H](NC(=O)C2(COC)CCCC2)C1
342078334	ZINC000625292219	ref	6.98	-12.12	0	298.362	1.399	0	6	7	COCc1nnc(N2CCO[C@@H](CCF)C2)n1CC1CC1
342078335	ZINC000625290836	ref	4.42	-13.93	0	287.41	1.022	0	5	4	Cc1ncc(S(=O)(=O)N(C)CC2=CCSC2)n1C
342078336	ZINC000625292734	ref	2.64	-8.56	0	261.387	1.662	1	3	3	CC1(C)CC(NS(=O)(=O)[C@H]2COC(C)(C)C2)C1
365633300	ZINC000625069216	mid	7.44	-43.98	1	320.433	2.369	2	3	7	Cc1cccc(NC(=O)C[N@H+](C)CCOC2CCOCC2)c1C
365633306	ZINC000625069216	mid	7.46	-43.72	1	320.433	2.369	2	3	7	Cc1cccc(NC(=O)C[N@@H+](C)CCOC2CCOCC2)c1C
365633313	ZINC000625069604	ref	6.37	-9.89	0	306.439	2.266	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCSC[C@@H]1C
365633322	ZINC000625069851	ref	6.75	-9.51	0	311.385	2.395	1	4	2	C[C@@]1(NC(=O)c2cn3c(n2)COCC3)CCCc2ccccc21
342595113	ZINC000590774429	ref	7.3	-12.48	0	297.395	1.851	0	4	4	COC[C@]1(C)CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)OC)C1
349534578	ZINC000093289561	mid	3.65	-13.42	0	254.355	0.737	1	4	4	CN(CCc1cccs1)C(=O)[C@H]1CNCCO1
342595114	ZINC000590774173	ref	4.39	-7.05	0	280.305	1.761	1	6	4	COC(=O)c1cc(C(=O)NCc2cc(C)cs2)on1
342595115	ZINC000590775395	ref	8.47	-13.18	0	295.383	1.756	1	5	8	CC(C)OC(=O)[C@@H](NC(=O)CCCn1ccnc1)C(C)C
343994964	ZINC000139429431	ref	4.36	-3.39	0	152.115	2.084	0	1	1	C/C=C(\C)C(=O)C(F)(F)F
342595116	ZINC000590775395	low	8.99	-36.46	1	295.383	1.756	1	4	8	CC(C)OC(=O)[C@@H](NC(=O)CCCn1cc[nH+]c1)C(C)C
342595117	ZINC000590774359	ref	5.94	-14.29	0	282.227	1.507	0	5	2	O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@H](F)C1
214184284	ZINC000337622539	ref	8.85	-10.19	0	280.327	3.102	1	3	3	CC[C@@H](c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
349534582	ZINC000093287594	ref	5.78	-13.34	0	269.308	0.666	2	4	3	Cn1cnc(CNC(=O)NCC#Cc2ccccc2)n1
214184289	ZINC000337623251	ref	-1.67	-10.46	0	282.3	0.14	3	5	5	C[C@H](NC(=O)NCc1cc(C(N)=O)no1)[C@H]1CCCO1
349534587	ZINC000093261779	ref	5.24	-24.54	0	253.302	0.886	1	4	5	CCOCCN(C)C(=O)Nc1cccn(C)c1=O
365633328	ZINC000625069115	ref	7.09	-11.76	0	318.425	2.185	1	6	5	CO[C@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC[C@@H]1C
342595118	ZINC000590775304	ref	6.13	-6.92	0	278.308	1.723	0	5	2	COC(=O)c1cc(C(=O)N2C[C@H]3CCCC[C@H]3C2)on1
342595119	ZINC000590773825	ref	4.77	-11.56	0	273.373	1.897	1	4	8	CC[C@](C)(CNC(=O)CC(C)(C)CC(=O)OC)OC
342595120	ZINC000590775370	ref	3.51	-59.69	-1	295.339	1.275	2	5	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1[nH]nc(C)c1[O-]
342595121	ZINC000590774358	ref	6.0	-16.03	0	282.227	1.507	0	5	2	O=C(c1cc2c(cc1[N+](=O)[O-])OCO2)N1CC[C@@H](F)C1
299072168	ZINC000354602574	ref	2.97	-33.39	0	348.313	0.943	2	6	5	Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1cnn(CC(N)=O)c1
342595122	ZINC000590775597	ref	7.97	-12.27	0	283.368	1.649	1	4	5	CCO[C@H]1C[C@H]1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
343993799	ZINC000599269574	high	1.69	-11.38	0	278.352	1.783	1	5	6	CN(Cc1ccoc1)C[C@@H](O)CC1(C#N)CCOCC1
342078337	ZINC000625292047	ref	3.52	-8.39	0	252.358	1.012	1	3	4	C[C@@H]([C@@H](C)NC(=O)C12CC(C1)C2)N1CCOCC1
342078338	ZINC000625292047	low	5.39	-41.18	1	252.358	1.012	2	2	4	C[C@@H]([C@@H](C)NC(=O)C12CC(C1)C2)[NH+]1CCOCC1
178300808	ZINC000082795264	ref	3.33	-8.42	0	257.135	1.838	1	4	3	C[C@H](C[C@](C)(N)C#N)n1cc(Br)cn1
343993802	ZINC000599268174	ref	5.88	-35.73	1	282.428	1.894	1	3	4	CC(C)C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2C[NH2+]C[C@@H]2C1
342078339	ZINC000625291182	ref	7.72	-17.13	0	294.395	1.415	0	3	5	CCO[C@@H](C(=O)N1CCC(N2CCCC2=O)CC1)C1CC1
342078340	ZINC000625292440	ref	6.16	-11.12	0	264.373	1.594	1	5	4	Cc1nnc(N2CC[C@@H](CO)C[C@H]2C)n1CC1CC1
214184293	ZINC000337621406	ref	1.7	-14.84	0	275.345	0.038	1	5	9	C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)CCOCCO
178300810	ZINC000082795264	mid	3.39	-57.46	1	257.135	1.838	1	3	3	C[C@H](C[C@](C)([NH3+])C#N)n1cc(Br)cn1
342078341	ZINC000608846497	ref	4.02	-18.89	0	278.308	1.326	2	4	4	COC(=O)c1cccc(NC(=O)C(C)(C)NC(C)=O)c1
342078342	ZINC000608849440	ref	8.01	-10.63	0	273.398	1.928	0	4	7	COC(=O)[C@@H](C)CN(C(=O)CSC(C)C)C1CC1
342078343	ZINC000625291541	ref	0.61	-9.43	0	285.356	1.524	2	3	8	C=C[C@H](CO)NS(=O)(=O)CC(C)(C)C(F)(F)CC
342078344	ZINC000600311872	ref	8.11	-39.55	1	298.427	1.814	2	3	6	CCOC(=O)C(C)(C)CC(=O)NC[C@H]1CCCC[N@H+](C)C1
342078345	ZINC000600311872	mid	8.01	-40.42	1	298.427	1.814	2	3	6	CCOC(=O)C(C)(C)CC(=O)NC[C@H]1CCCC[N@@H+](C)C1
178300817	ZINC000082795285	ref	5.54	-7.93	0	285.189	2.488	1	4	5	CCN[C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1
178300818	ZINC000082795285	low	5.77	-50.49	1	285.189	2.488	1	3	5	CC[NH2+][C@@](C)(C#N)C[C@H](C)n1cc(Br)cn1
342078346	ZINC000625292554	ref	3.73	-10.5	0	286.416	1.273	1	4	7	CCO[C@H](C(=O)N[C@@H](C)[C@H](C)N1CCOCC1)C(C)C
343994965	ZINC000235538095	ref	1.64	-4.74	0	233.09	1.701	0	4	2	C#C[C@H](C)Oc1nnc(Br)s1
214184296	ZINC000337622225	ref	6.14	-12.0	0	294.395	2.053	1	3	9	CCc1ccc(CN(C)C(=O)NCCOCCOC)cc1
214184299	ZINC000337623278	ref	2.82	-13.88	0	290.22	2.025	2	3	3	C[C@@H](CNC(=O)c1cc(F)cc2n[nH]nc12)C(F)(F)F
214184301	ZINC000337623278	high	2.6	-45.28	-1	290.22	2.025	1	3	3	C[C@@H](CNC(=O)c1cc(F)cc2nn[n-]c12)C(F)(F)F
214184303	ZINC000337623278	high	2.67	-45.05	-1	290.22	2.025	1	3	3	C[C@@H](CNC(=O)c1cc(F)cc2[n-]nnc12)C(F)(F)F
214184306	ZINC000337623278	high	2.81	-45.29	-1	290.22	2.025	1	3	3	C[C@@H](CNC(=O)c1cc(F)cc2n[n-]nc12)C(F)(F)F
214184309	ZINC000337623482	ref	5.69	-11.66	0	287.344	2.191	1	5	4	O=c1[nH]c2ccccc2c(=O)n1CCCc1nccs1
343993800	ZINC000139265261	ref	7.22	-14.18	0	191.234	1.454	1	3	1	Cc1nc2[nH]ccn2c(=O)c1C(C)C
178300805	ZINC000237158280	ref	4.62	-55.31	1	373.457	1.717	2	6	7	COc1ccccc1O[C@H](C)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C
349534584	ZINC000618813052	low	7.51	-47.83	1	288.347	1.856	1	4	7	COCC[N@H+](CC(=O)OC)Cc1ccc2cnccc2c1
178300809	ZINC000237169931	ref	6.43	-53.19	1	368.275	1.589	1	2	4	C[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(Br)cc2)CC1
178300811	ZINC000237160516	ref	5.71	-53.85	1	373.375	1.226	1	3	6	COCC[NH2+]CC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
178300813	ZINC000237160516	high	4.36	-15.16	0	373.375	1.226	1	4	6	COCCNCC(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
214184297	ZINC000293566438	ref	-2.6	-12.55	0	373.406	0.079	4	5	4	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
178300816	ZINC000237176147	ref	6.86	-61.68	1	352.5	1.492	1	3	8	C[NH2+]C[C@@H]1CCCN(C(=O)CS(=O)(=O)CCCc2ccccc2)C1
178300819	ZINC000237175519	ref	2.56	-54.52	1	356.488	1.898	2	4	9	COCCOc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)cc1
365633305	ZINC000641596541	ref	3.84	-11.98	0	295.408	1.661	1	3	5	C[C@H]1CCCN(S(=O)(=O)NC/C=C/c2cccnc2)C1
178300822	ZINC000237158674	ref	5.12	-54.74	1	354.838	1.148	2	4	7	COCC[NH2+]CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1
178300823	ZINC000237158674	high	3.76	-14.89	0	354.838	1.148	2	5	7	COCCNCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1
178300826	ZINC000237169536	ref	3.45	-50.89	1	373.457	1.178	1	6	8	COCC[NH2+]CC(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1
178300829	ZINC000237169536	high	2.1	-15.69	0	373.457	1.178	1	7	8	COCCNCC(=O)N1CCN([C@H](C)c2nc(-c3ccccc3)no2)CC1
178300832	ZINC000237167923	ref	5.34	-43.65	1	365.518	1.69	2	3	7	COCCC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCC1
365633315	ZINC000641596524	ref	2.4	-13.49	0	296.392	1.582	1	4	5	CC1(C)C[C@H](S(=O)(=O)NC/C=C/c2cccnc2)CO1
365633324	ZINC000479878181	ref	6.61	-53.71	1	266.385	1.259	1	2	3	C[C@H]1CCCC[C@H]1OCC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
178300836	ZINC000237156695	ref	8.02	-49.99	-1	369.215	1.653	0	4	4	Cc1cc(N2C[C@H](C(=O)N(C)CC(=O)[O-])CC2=O)ccc1Br
365633335	ZINC000641596610	ref	3.55	-10.6	0	253.302	1.747	1	4	4	CN(CCC(N)=O)c1nc2ccc(F)cc2s1
349534588	ZINC000618813052	low	7.54	-46.29	1	288.347	1.856	1	4	7	COCC[N@@H+](CC(=O)OC)Cc1ccc2cnccc2c1
398248482	ZINC000645408116	ref	3.8	-7.28	0	246.376	1.605	2	3	5	CC[C@H](CNC(=O)N[C@H]1CCS[C@H]1C)OC
343993805	ZINC000139282953	ref	5.42	-8.18	0	172.224	1.411	0	3	4	COC(=O)[C@H](CC(C)C)C(C)=O
398248483	ZINC000218882196	ref	4.27	-50.03	1	208.28	2.426	2	1	2	Cc1c(F)cccc1N[C@H]1CCC[C@@H]1[NH3+]
398248488	ZINC000062358701	ref	2.09	-45.13	1	239.344	1.261	2	3	3	C[C@H](NC(=O)c1cscn1)[C@@H]1CCC[NH2+]C1
398248490	ZINC000336779479	ref	5.03	-42.58	1	227.348	1.96	1	2	5	C[C@@H]1OCC[C@@H]1[NH2+]CCCC1CCOCC1
343993810	ZINC000139192272	ref	5.52	-6.47	0	159.188	2.175	0	2	2	CO/C=C/c1ccc(C#N)cc1
197592068	ZINC000162789362	ref	7.8	-14.35	0	303.406	2.879	1	3	1	Cc1cc(=O)n(C)cc1NC(=O)N1[C@@H](C)C[C@@H]2CCCC[C@@H]21
343993815	ZINC000139220428	ref	4.51	-7.02	0	140.186	0.918	0	3	3	CO[C@H](C)Cn1ccnc1
398248496	ZINC000645409459	ref	3.83	-8.49	0	240.347	1.899	2	2	5	CC[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[C@H]2C1)OC
398248500	ZINC000645408118	ref	3.11	-8.44	0	246.376	1.605	2	3	5	CC[C@H](CNC(=O)N[C@@H]1CCS[C@H]1C)OC
343993819	ZINC000139220428	low	5.02	-28.86	1	140.186	0.918	0	2	3	CO[C@H](C)Cn1cc[nH+]c1
343993823	ZINC000139255780	ref	2.51	-11.82	0	191.234	1.297	1	2	1	NC(=O)N1CCC[C@@H]1c1cccnc1
398248502	ZINC000457192837	ref	5.05	-8.1	0	238.335	1.852	1	4	4	CCn1nncc1C(=O)N[C@@H](C)CC(C)(C)C
398248508	ZINC000417648927	ref	1.55	-50.33	1	227.352	1.461	3	1	5	C[C@@H]1CCCC[C@@H]1CCNC(=O)NCC[NH3+]
398248512	ZINC000442705850	ref	3.74	-48.41	1	237.347	0.989	1	3	4	C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)N1CCOCC1
398248514	ZINC000645408117	ref	3.02	-7.64	0	246.376	1.605	2	3	5	CC[C@H](CNC(=O)N[C@H]1CCS[C@@H]1C)OC
297220871	ZINC000152058169	ref	5.57	-8.69	0	296.367	2.506	0	3	2	C[C@H]1CCN(S(=O)(=O)c2ccc(F)cc2C#N)[C@H](C)C1
343993827	ZINC000139241070	ref	5.17	-12.07	0	194.621	1.587	0	3	0	Cn1c(=O)ccc2ccc(Cl)nc21
342078347	ZINC000625292554	low	5.74	-42.56	1	286.416	1.273	2	3	7	CCO[C@H](C(=O)N[C@@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C
398248517	ZINC000457192836	ref	5.1	-9.97	0	238.335	1.852	1	4	4	CCn1nncc1C(=O)N[C@H](C)CC(C)(C)C
349534589	ZINC000621233640	low	9.36	-37.06	1	293.411	2.498	0	3	7	CC(C)CCO[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2)C1
342078348	ZINC000608846350	ref	4.06	-20.23	0	265.269	1.448	2	4	4	CC(=O)NC(C)(C)C(=O)Nc1cccc([N+](=O)[O-])c1
342078349	ZINC000625294391	ref	1.88	-6.51	0	273.336	1.962	1	5	7	COC[C@@H](NCc1cncc(OC)n1)c1ccccc1
398249433	ZINC000651466596	ref	7.42	-6.53	0	270.38	3.115	1	4	3	Cc1nc(N[C@H](C)C(C)(C)C)cc(-c2cccnc2)n1
398249440	ZINC000651465697	ref	6.77	-32.19	1	276.424	3.098	2	2	6	C[C@H](CCCCO)[NH2+][C@H]1CCCN(C)c2ccccc21
349534590	ZINC000618814318	ref	4.67	-25.76	0	290.323	1.104	0	6	5	COc1cccc(C(=O)N(C)Cc2cn(C)nn2)c1OC
214184302	ZINC000293558339	ref	6.48	-17.84	0	366.422	0.578	2	7	3	Cc1nc(NC(=O)C(=O)NC[C@H]2CCCN2C(=O)OC(C)(C)C)nn1C
365633309	ZINC000274356929	high	1.46	-10.21	0	277.372	1.168	3	3	4	Cc1n[nH]cc1CNC(=O)N[C@@H](C)C1=CCN(C)CC1
342078350	ZINC000625294391	low	2.96	-44.13	1	273.336	1.962	1	4	7	COC[C@@H]([NH2+]Cc1cncc(OC)n1)c1ccccc1
214184308	ZINC000293568152	ref	5.06	-19.97	0	368.459	0.939	1	8	5	CNc1nnc(CC(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)s1
342078351	ZINC000608846663	ref	4.7	-20.01	0	279.296	1.756	2	4	4	CC(=O)NC(C)(C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1
214184314	ZINC000293566428	ref	-3.07	-12.64	0	373.406	0.079	4	5	4	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
214184318	ZINC000293567463	ref	2.22	-26.32	0	360.374	0.741	3	7	6	CCn1nc(C)c(C(=O)Nc2ccc(OCC(=O)NC(N)=O)cc2C)n1
214184325	ZINC000293566442	ref	-2.58	-12.64	0	373.406	0.079	4	5	4	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1
214184333	ZINC000293559900	ref	0.86	-17.46	0	367.387	0.002	2	8	7	CCn1nncc1C(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1
214184338	ZINC000293568088	ref	8.57	-13.89	0	355.398	0.785	1	6	2	Cn1cnc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@@H]3COCC[C@H]32)n1
214184342	ZINC000293567987	ref	1.06	-16.87	0	370.427	0.596	1	6	4	COc1cc(NC(=O)C(=O)N2CC[C@H](S(C)(=O)=O)C2)cc(OC)c1C
214184346	ZINC000293567982	ref	1.11	-17.01	0	370.427	0.596	1	6	4	COc1cc(NC(=O)C(=O)N2CC[C@@H](S(C)(=O)=O)C2)cc(OC)c1C
214184349	ZINC000293556254	ref	4.31	-20.13	0	361.803	0.761	0	6	3	COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc(OC)c(Cl)c1
214184352	ZINC000293559770	ref	4.92	-13.96	0	370.475	0.754	0	7	7	CCOc1ccnc(N2CCN(S(=O)(=O)CC[C@@H]3CCOC3)CC2)n1
214184355	ZINC000293560585	ref	6.21	-51.92	1	370.453	0.972	2	3	3	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)C2=O)cc1
214184359	ZINC000293558340	ref	5.85	-18.18	0	366.422	0.578	2	7	3	Cc1nc(NC(=O)C(=O)NC[C@@H]2CCCN2C(=O)OC(C)(C)C)nn1C
214184363	ZINC000293560927	ref	0.8	-15.72	0	370.427	0.536	0	6	4	COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCCOC1
214184367	ZINC000293564806	ref	4.24	-35.84	1	356.386	0.741	2	7	6	COCCn1cc(CNC(=O)C(=O)Nc2cc(C)c3nccn3c2)cn1
365633320	ZINC000274355097	ref	9.61	-17.91	0	293.33	1.961	0	6	2	O=C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1
365633329	ZINC000274354355	ref	4.41	-12.67	0	298.346	1.316	1	5	4	O=C(Nc1cncnc1)[C@@H]1CN(Cc2ccccc2)CCO1
365633334	ZINC000274354355	low	6.85	-55.48	1	298.346	1.316	2	4	4	O=C(Nc1cncnc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1
365633342	ZINC000274354355	low	6.7	-51.89	1	298.346	1.316	2	4	4	O=C(Nc1cncnc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1
365633350	ZINC000274356816	ref	0.96	-12.22	0	280.324	1.464	2	4	5	COCCNC(=O)N[C@H]1CCOc2ccc(OC)cc21
365633359	ZINC000274355035	ref	3.13	-34.59	1	267.348	1.108	2	3	4	C[C@H](O)C[N@@H+]1CCN(Cc2cncc(F)c2)C[C@H]1C
365633366	ZINC000274355035	mid	2.57	-33.2	1	267.348	1.108	2	3	4	C[C@H](O)C[N@H+]1CCN(Cc2cncc(F)c2)C[C@H]1C
365633373	ZINC000274355035	mid	0.57	-4.9	0	267.348	1.108	1	4	4	C[C@H](O)CN1CCN(Cc2cncc(F)c2)C[C@H]1C
365633380	ZINC000274353817	ref	2.63	-7.11	0	278.356	1.381	2	5	4	CC(C)O[C@@H]1C[C@H](NC(=O)c2nccnc2N)C1(C)C
365633387	ZINC000274355913	ref	4.8	-8.78	0	296.33	1.527	2	4	2	Cc1ccc2c(c1)CC[C@H]2NC(=O)C(=O)Nc1cncnc1
365633396	ZINC000274355614	ref	3.49	-10.62	0	277.32	1.504	1	4	4	O=C1NCCCc2cc(OCCC3OCCO3)ccc21
343993806	ZINC000599268174	low	8.14	-103.54	2	282.428	1.894	2	2	4	CC(C)C[C@H](C(=O)OC(C)(C)C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
349534592	ZINC000621233660	ref	6.72	-7.52	0	295.423	2.465	0	3	5	CC(C)CCO[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3(C)C)C1
365633407	ZINC000274354184	ref	2.0	-15.09	0	297.355	1.157	3	3	4	NC(=O)[C@@H](NC(=O)N[C@@H]1CCSC1)c1ccc(F)cc1
365633417	ZINC000274354236	ref	3.71	-15.07	0	280.349	1.793	0	5	5	CCOc1ccc(S(=O)(=O)Cc2ccnn2C)cc1
365633433	ZINC000274355339	ref	3.77	-11.96	0	283.393	1.536	1	3	7	CCc1ccc(CS(=O)(=O)N(CCO)C2CC2)cc1
365633443	ZINC000274355695	ref	5.24	-15.48	0	263.297	1.394	1	5	3	COC(=O)C1CCC(C(=O)Nc2cncnc2)CC1
342078352	ZINC000617964304	ref	4.13	-11.92	0	260.297	1.207	2	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2ncnc3[nH]ccc23)C1
365633454	ZINC000274353816	ref	2.7	-8.58	0	278.356	1.381	2	5	4	CC(C)O[C@H]1C[C@H](NC(=O)c2nccnc2N)C1(C)C
365633463	ZINC000274356852	ref	4.53	-33.27	1	266.414	1.515	1	4	4	CS[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1[NH+](C)C
342078353	ZINC000625292556	ref	3.87	-10.51	0	286.416	1.273	1	4	7	CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1)C(C)C
342078354	ZINC000625292556	low	5.68	-43.6	1	286.416	1.273	2	3	7	CCO[C@H](C(=O)N[C@@H](C)[C@@H](C)[NH+]1CCOCC1)C(C)C
214184307	ZINC000278482995	mid	8.14	-52.8	1	308.447	2.077	2	3	9	CC[N@@H+](C)Cc1cccc(CNC(=O)CSCC(C)=O)c1
342078355	ZINC000625292162	ref	3.9	-18.31	0	284.385	1.508	0	5	2	Cc1nnc(CN(C)C(=O)N2C[C@H](C)O[C@H](C)C2)s1
343993808	ZINC000079911857	ref	4.84	-15.11	0	292.404	2.439	2	4	6	CC(C)[C@](C)(O)CNC(=O)c1cccc(SCC#N)c1
343994968	ZINC000139438495	ref	5.36	-9.98	0	157.282	2.066	0	1	0	CC(C)(C)C(=S)N1CCC1
342078356	ZINC000625290473	ref	0.62	-46.66	-1	291.319	1.322	2	3	4	Cc1ccc(S(=O)(=O)NC2CC(CO)C2)c(F)c1F
214184320	ZINC000278484370	ref	7.27	-44.49	1	314.393	1.161	3	4	5	C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ncnn1-c1ccccc1
214184322	ZINC000278484370	mid	8.05	-45.35	1	314.393	1.161	3	4	5	C[N@H+]1CCC[C@@H]1CNC(=O)NCc1ncnn1-c1ccccc1
214184326	ZINC000278484370	high	4.82	-10.24	0	314.393	1.161	2	5	5	CN1CCC[C@@H]1CNC(=O)NCc1ncnn1-c1ccccc1
214184331	ZINC000278484109	ref	6.43	-10.63	0	315.421	3.035	2	4	6	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)C[C@@H](C)C(C)C)n2)c1
282122223	ZINC000248970072	ref	6.31	-55.05	1	320.437	1.465	1	5	4	CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)C12CCOCC2
214184334	ZINC000278484400	ref	5.78	-19.04	0	320.389	2.098	2	4	6	CCNC(=O)COc1ccc(NC(=O)[C@H]2CCC(C)(C)O2)cc1
282122231	ZINC000248970250	ref	4.84	-34.47	1	312.454	1.231	3	3	6	C[C@H](O)C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H](C)CO
365633332	ZINC000617415712	low	4.24	-62.0	1	288.413	0.554	2	3	4	C[N@H+]1CCC[C@H](NC(=O)CS(=O)(=O)C2CCCC2)C1
214184339	ZINC000278483378	ref	6.0	-12.89	0	318.421	2.356	1	4	5	CCO[C@@H]1C[C@@H](N(C)C(=O)NCc2cccnn2)C12CCCC2
185087771	ZINC000096073081	ref	9.14	-33.47	1	279.424	2.837	1	2	5	C1CC(C[NH+]2CCC3(CC2)C[C@@H](OCC2CC2)CO3)C1
342078357	ZINC000625290473	high	0.62	-46.66	-1	291.319	1.322	1	3	4	Cc1ccc(S(=O)(=O)[N-]C2CC(CO)C2)c(F)c1F
342078358	ZINC000031717023	ref	5.0	-10.41	0	266.341	1.901	1	3	5	CC(C)[C@@H](C)N(C)C(=O)[C@@H](C)NC(=O)c1ccco1
192339518	ZINC000421439335	ref	5.8	-8.2	0	223.316	1.812	0	2	1	C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2C3)[C@H](C)CO1
342078359	ZINC000031730098	ref	2.52	-16.69	0	292.383	1.078	3	3	7	CC(=O)NCCCNC(=O)NCc1ccc(N(C)C)cc1
342078360	ZINC000608846414	ref	4.88	-17.81	0	292.335	1.635	2	4	4	COC(=O)c1ccc(C)c(NC(=O)C(C)(C)NC(C)=O)c1
342078361	ZINC000608846699	ref	2.8	-10.64	0	299.352	1.091	2	6	4	COC(=O)c1sc(NC(=O)C(C)(C)NC(C)=O)nc1C
342078362	ZINC000625290565	ref	1.5	-42.53	1	265.353	1.709	4	3	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cccc(O)c1
342595123	ZINC000590775342	ref	5.84	-8.44	0	293.367	1.799	1	5	5	Cc1cc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)c(C)nn1
365633336	ZINC000625068925	ref	6.13	-11.99	0	318.425	2.187	1	6	6	COC[C@@H]1CCCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
365633348	ZINC000625069632	ref	4.61	-7.88	0	313.41	2.497	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@H](C)[C@H]1C
365633353	ZINC000625069852	ref	6.74	-11.15	0	311.385	2.395	1	4	2	C[C@]1(NC(=O)c2cn3c(n2)COCC3)CCCc2ccccc21
185087773	ZINC000096072208	ref	5.75	-39.16	1	251.33	0.8	1	4	3	CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3cncn3C)C2)C1
349534593	ZINC000093281949	ref	1.02	-14.37	0	295.387	0.78	2	5	3	CC(C)(C)n1cc(NC(=O)N2CCN(CCO)CC2)cn1
342595124	ZINC000590774104	ref	5.11	-12.98	0	291.347	1.387	1	4	3	COC(=O)Cc1cccc(C(=O)N2CCC[C@H](O)[C@H]2C)c1
342595125	ZINC000590773822	ref	6.05	-12.18	0	293.363	1.947	1	4	7	CC[C@](C)(CNC(=O)c1cccc(CC(=O)OC)c1)OC
365633361	ZINC000625069712	ref	4.31	-6.8	0	308.397	2.143	0	4	5	Fc1ccccc1N1CCN(CCOC2CCOCC2)CC1
342595126	ZINC000590773809	ref	3.22	-15.46	0	283.393	1.969	1	3	6	CC[C@](C)(CNC(=O)c1ccc([S@](C)=O)cc1)OC
342595127	ZINC000590774113	ref	4.01	-15.33	0	297.318	1.749	2	5	2	N#Cc1cc(O)cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1
342595128	ZINC000590774113	mid	4.39	-19.26	0	297.318	1.749	2	5	2	N#Cc1cc(O)cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1
185087774	ZINC000096072208	mid	5.72	-39.08	1	251.33	0.8	1	4	3	CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3cncn3C)C2)C1
342595129	ZINC000590774113	mid	4.79	-42.63	-1	297.318	1.749	1	5	2	N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1
365633367	ZINC000625069712	mid	6.63	-36.81	1	308.397	2.143	1	3	5	Fc1ccccc1N1CC[NH+](CCOC2CCOCC2)CC1
365633376	ZINC000625068602	ref	5.63	-17.91	0	319.449	2.336	2	3	6	Cc1cccc(NC(=O)CN(C)CC(=O)NCC(C)(C)C)c1C
342595130	ZINC000590774113	high	5.15	-45.12	-1	297.318	1.749	1	5	2	N#Cc1cc([O-])cc(C(=O)N2CCCC[C@H]2c2nnc[nH]2)c1
342595131	ZINC000590775439	ref	6.29	-6.99	0	281.356	1.609	1	5	6	CCn1nccc1C(=O)N[C@H](C(=O)OC(C)C)C(C)C
365633390	ZINC000625069875	ref	5.49	-21.85	0	322.364	2.477	2	3	2	O=C1NC[C@@H](C(=O)Nc2ccc3c(c2)CCCO3)c2ccccc21
178305387	ZINC000019404324	low	7.04	-100.06	2	243.354	3.096	1	1	1	Cc1cc2[nH+]cn([C@@H]3CCCC[C@@H]3[NH3+])c2cc1C
282122224	ZINC000449153193	high	6.94	-9.92	0	270.38	2.327	1	4	6	CCn1nnc(C)c1CN[C@@H]1C[C@H]1Cc1ccccc1
214184312	ZINC000337620956	ref	6.51	-9.31	0	279.262	2.428	2	3	5	CC[C@@H](C)[C@@H](OC)C(=O)Nc1nc(C(F)(F)F)c[nH]1
342078363	ZINC000625290565	high	0.4	-6.26	0	265.353	1.709	4	4	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1cccc(O)c1
342078364	ZINC000625292046	ref	3.51	-8.43	0	252.358	1.012	1	3	4	C[C@H](NC(=O)C12CC(C1)C2)[C@@H](C)N1CCOCC1
185087776	ZINC000096072208	mid	2.5	-7.05	0	251.33	0.8	0	5	3	CO[C@@H]1CO[C@@]2(CCN(Cc3cncn3C)C2)C1
185087778	ZINC000096072543	ref	1.8	-13.01	0	299.334	1.083	0	7	3	c1cnc(O[C@@H]2CO[C@]3(CCN(c4cnccn4)C3)C2)nc1
185087780	ZINC000096073042	ref	4.37	-37.22	1	279.384	1.139	2	4	3	C[C@H](O)C[NH+]1CCC2(CC1)C[C@H](c1cnn(C)c1)CO2
293078012	ZINC000561316925	mid	9.03	-85.92	2	281.444	1.661	2	1	5	CN(CC1([NH+](C)C)CCC1)C(=O)C[N@H+]1CCC(C)(C)C1
365633337	ZINC000641596308	ref	2.63	-9.32	0	286.397	1.456	1	4	7	CCNS(=O)(=O)c1ccccc1N(C)C[C@H](C)OC
342078365	ZINC000625292046	low	5.39	-41.14	1	252.358	1.012	2	2	4	C[C@H](NC(=O)C12CC(C1)C2)[C@@H](C)[NH+]1CCOCC1
185087786	ZINC000096074120	ref	6.04	-47.8	1	293.367	1.308	1	4	2	Cc1nocc1C(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)CO2
185087788	ZINC000096074120	high	3.64	-9.0	0	293.367	1.308	0	5	2	Cc1nocc1C(=O)N1CCC2(CC1)C[C@H](N(C)C)CO2
185087789	ZINC000096073862	ref	1.93	-17.15	0	291.351	0.636	2	5	3	O=C(CO)N1CCC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1
185087792	ZINC000096072914	ref	2.39	-39.48	1	264.325	0.686	2	4	4	OCC[N@@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1
185087793	ZINC000096072914	mid	2.18	-39.62	1	264.325	0.686	2	4	4	OCC[N@H+]1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1
185087795	ZINC000096072914	high	-0.34	-7.38	0	264.325	0.686	1	5	4	OCCN1CC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1
365633346	ZINC000641596566	ref	3.8	-9.34	0	295.408	1.804	1	3	5	C[C@@H]1CCCCN1S(=O)(=O)NC/C=C\c1cccnc1
185087796	ZINC000096072970	ref	8.64	-35.91	1	292.398	3.248	1	2	3	CC(C)[C@H]1COC2(CC[NH+](Cc3ccncc3F)CC2)C1
342078366	ZINC000608849092	ref	8.2	-11.88	0	285.384	1.848	0	4	8	COC(=O)[C@@H](C)CN(C(=O)[C@H](C)OCC(C)C)C1CC1
185087799	ZINC000096072970	high	6.39	-4.1	0	292.398	3.248	0	3	3	CC(C)[C@H]1COC2(CCN(Cc3ccncc3F)CC2)C1
185087802	ZINC000096072985	ref	6.33	-9.25	0	281.396	2.221	0	3	4	COCC[C@@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1
185087805	ZINC000096072900	ref	4.09	-16.42	0	276.336	1.03	0	4	3	CO[C@H]1CO[C@]2(CCN(C(=O)Cc3ccccn3)C2)C1
365633357	ZINC000479864029	ref	6.18	-41.98	1	254.374	1.544	2	2	4	C[C@H]1CCCC[N@H+]1[C@H](C)CNC(=O)[C@@H]1CCCO1
365633339	ZINC000336550120	high	4.78	-10.26	0	298.39	2.289	2	3	3	C[C@@H]1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CCN1C
365633344	ZINC000336550687	ref	5.85	-13.38	0	290.754	2.409	0	4	2	O=C(c1ccncc1Cl)N1CCC[C@@H](n2cccn2)C1
187169289	ZINC000125100510	ref	6.71	-54.21	1	287.363	2.006	1	4	6	CCn1nccc1C[NH2+]CCc1ccc2c(c1)OCCO2
187169290	ZINC000125100510	high	5.29	-9.2	0	287.363	2.006	1	5	6	CCn1nccc1CNCCc1ccc2c(c1)OCCO2
178300840	ZINC000237168527	ref	5.35	-49.52	1	362.405	1.818	1	5	7	COCC[NH2+]CC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
178300843	ZINC000237168527	high	4.0	-13.3	0	362.405	1.818	1	6	7	COCCNCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1
187169291	ZINC000125096762	ref	6.23	-8.08	0	299.374	3.494	1	4	5	C[C@H](NC(=O)CC1CCCC1)c1noc(-c2ccccc2)n1
178300846	ZINC000237171677	ref	6.3	-93.85	2	360.502	1.374	4	2	9	C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1
178300852	ZINC000237171677	high	3.82	-50.95	1	360.502	1.374	3	3	9	CN(C)CCNC(=O)c1ccc(CNC(=O)CCC2CC[NH2+]CC2)cc1
124847151	ZINC000174008175	ref	7.82	-10.09	0	344.458	2.89	0	5	6	CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1
178300855	ZINC000237169011	ref	5.53	-40.62	1	363.433	1.555	2	3	5	COc1ccc(F)cc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178300858	ZINC000237173081	ref	4.11	-53.3	1	359.517	1.053	1	4	5	C[NH2+]C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
187169292	ZINC000125099002	ref	3.86	-10.47	0	277.43	2.303	1	3	9	CCCS(=O)(=O)NCC1(CCOCC)CCCC1
187169293	ZINC000125101247	ref	5.34	-9.98	0	286.322	2.266	2	2	5	CC(C)N(C[C@@H](C)O)C(=O)NCc1cc(F)ccc1F
187169294	ZINC000125099562	ref	5.45	-39.8	1	253.386	2.349	1	2	3	C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]12)C1CCOCC1
342078367	ZINC000625291146	ref	2.39	-42.0	-1	299.396	1.619	1	4	7	CCC(CC)CNC(=O)c1ccc([N-]S(C)(=O)=O)nc1
342078368	ZINC000625291146	mid	2.54	-15.05	0	299.396	1.619	2	4	7	CCC(CC)CNC(=O)c1ccc(NS(C)(=O)=O)nc1
342078369	ZINC000608849093	ref	8.33	-9.47	0	285.384	1.848	0	4	8	COC(=O)[C@H](C)CN(C(=O)[C@@H](C)OCC(C)C)C1CC1
342078370	ZINC000625294424	ref	3.84	-14.68	0	269.345	1.496	1	5	9	CCC[C@H](OCC)C(=O)NCCc1noc(CC)n1
342078371	ZINC000608849481	ref	6.13	-14.56	0	291.311	1.029	1	6	6	Cn1cc(CCCNC(=O)c2cc([N+](=O)[O-])cn2C)cn1
342078372	ZINC000625292557	ref	3.91	-10.5	0	286.416	1.273	1	4	7	CCO[C@H](C(=O)N[C@H](C)[C@H](C)N1CCOCC1)C(C)C
398248486	ZINC000651460125	ref	7.66	-7.48	0	250.386	3.149	1	1	1	C[C@@H]1CC(C)(C)CN1C(=O)NC1CC2(CCC2)C1
349534594	ZINC000621239901	ref	3.62	-9.84	0	295.383	2.335	2	3	7	CCCCN(C(=O)[C@H](C)NC(N)=O)[C@H](C)c1ccc(C)o1
342595132	ZINC000590774074	ref	4.36	-13.2	0	271.357	1.338	1	4	4	COC(=O)CC(C)(C)CC(=O)N1CCC[C@H](O)[C@@H]1C
398248492	ZINC000651459395	ref	7.47	-7.82	0	262.353	3.062	1	2	3	Cc1ccoc1CN(C)C(=O)NC1CC2(CCC2)C1
342595133	ZINC000590774870	ref	6.54	-13.12	0	285.384	1.849	0	4	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@H](OC)[C@@H](C)C1
398248497	ZINC000651460253	ref	6.75	-6.74	0	250.386	3.341	2	1	3	CCC1(NC(=O)NC2CC3(CCC3)C2)CCCC1
192037557	ZINC000418462273	ref	5.3	-51.11	1	249.358	1.813	2	1	6	CCN(Cc1ccccc1)C(=O)NC[C@H](C)C[NH3+]
342595134	ZINC000590773921	ref	4.63	-7.04	0	252.27	1.237	1	5	5	CC[C@@H]1C[C@H]1CNC(=O)c1cc(C(=O)OC)no1
342595135	ZINC000590774082	ref	4.37	-10.68	0	295.31	1.598	1	4	2	COC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@@H]2C)cc1F
214184316	ZINC000337620956	mid	6.43	-8.7	0	279.262	2.428	2	3	5	CC[C@@H](C)[C@@H](OC)C(=O)Nc1ncc(C(F)(F)F)[nH]1
342595136	ZINC000590774112	ref	3.96	-15.73	0	297.318	1.749	2	5	2	N#Cc1cc(O)cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1
342595137	ZINC000590774112	mid	4.38	-19.16	0	297.318	1.749	2	5	2	N#Cc1cc(O)cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1
342595138	ZINC000590774112	mid	4.72	-42.28	-1	297.318	1.749	1	5	2	N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1
214184319	ZINC000337624269	ref	6.49	-9.3	0	283.441	3.063	2	2	6	CCC[C@H](C)c1cc(=NC(=O)C(C)(C)CSC)[nH][nH]1
342595139	ZINC000590774112	high	5.23	-46.32	-1	297.318	1.749	1	5	2	N#Cc1cc([O-])cc(C(=O)N2CCCC[C@@H]2c2nnc[nH]2)c1
214184324	ZINC000337622293	ref	3.32	-9.81	0	295.379	0.927	2	4	8	Cc1ccc([C@@H](C)[C@H](O)C(=O)N(C)CCOCCO)cc1
197592104	ZINC000290094208	ref	1.78	-11.64	0	295.383	1.268	3	4	6	Cc1cc(N(C)C)ccc1NC(=O)N(CCO)C[C@H](C)O
303959966	ZINC000563541013	ref	3.52	-15.43	0	305.378	1.655	3	4	7	CCC[C@H](C)[C@@H](CO)NC(=O)Cn1c(=O)[nH]c2ccccc21
343994971	ZINC000235538193	ref	3.83	-6.98	0	210.664	2.147	0	3	2	C#C[C@H](C)Oc1nnc(Cl)c(C)c1C
168366007	ZINC000082410478	ref	2.57	-38.12	1	139.198	1.73	1	1	2	C[C@@H]([NH3+])[C@@H](C)c1ccco1
398248501	ZINC000651460020	ref	7.19	-9.25	0	290.329	3.303	1	1	2	CC1(CC(F)(F)F)CN(C(=O)NC2CC3(CCC3)C2)C1
214184327	ZINC000337621307	ref	3.25	-11.59	0	287.356	0.433	1	5	7	COC(=O)[C@H]1CCC[C@H](C(=O)N(C)CCOCCO)C1
214184330	ZINC000337622630	ref	8.39	-16.58	0	297.354	3.281	1	3	6	CCO[C@H](C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1
187169295	ZINC000125096650	ref	0.09	-11.36	0	268.288	1.51	3	3	3	C[C@]1(NC(=O)NCc2ccc(O)c(F)c2)CCOC1
187169296	ZINC000125096650	high	0.85	-47.59	-1	268.288	1.51	2	3	3	C[C@]1(NC(=O)NCc2ccc([O-])c(F)c2)CCOC1
178300841	ZINC000013679476	ref	5.18	-8.83	0	229.308	3.303	1	3	1	Cc1cc2nc(-c3cscn3)[nH]c2cc1C
398248487	ZINC000650869231	mid	7.03	-45.91	1	283.441	1.763	2	2	3	O=C(NCC[NH+]1CCSCC1)N1CCC12CCCC2
365633341	ZINC000617415482	ref	5.06	-43.8	1	281.4	0.892	3	2	4	C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCC[N@H+](C)C1
398248491	ZINC000650869080	ref	3.24	-43.11	1	285.432	1.57	4	2	10	CCCC[N@H+](C)CCNC(=O)NCCC1(CO)CCC1
299072169	ZINC000358087172	ref	8.76	-61.88	1	319.796	1.802	1	4	4	C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
259309359	ZINC000394173762	ref	4.04	-7.94	0	249.354	2.298	2	2	5	Cc1cccc(C(=O)NC[C@@H](CO)C(C)C)c1C
342595140	ZINC000590773824	ref	4.69	-11.61	0	273.373	1.897	1	4	8	CC[C@@](C)(CNC(=O)CC(C)(C)CC(=O)OC)OC
342595141	ZINC000590775413	ref	6.79	-8.75	0	295.379	1.649	1	4	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1[C@H]2CCCO[C@H]21
197592105	ZINC000162796086	ref	7.42	-43.05	1	304.434	2.846	2	2	10	CCCC[C@H](C[NH3+])NC(=O)CCC(=O)c1ccc(CC)cc1
197592107	ZINC000162796086	high	7.09	-6.74	0	304.434	2.846	2	3	10	CCCC[C@H](CN)NC(=O)CCC(=O)c1ccc(CC)cc1
342595142	ZINC000590775379	ref	2.27	-8.31	0	298.339	1.779	1	6	7	CCOc1nc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)co1
342595143	ZINC000590775341	ref	2.98	-11.32	0	266.297	1.526	1	5	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1cnco1
342595144	ZINC000590774430	ref	7.54	-12.11	0	297.395	1.851	0	4	4	COC[C@]1(C)CCN(C(=O)[C@H]2CCCC[C@@H]2C(=O)OC)C1
187169298	ZINC000125095945	ref	5.03	-49.84	1	262.357	1.145	2	3	3	CNc1ccc(C(=O)N2C[C@@H]([NH+](C)C)[C@H](C)C2)cn1
398248494	ZINC000650869080	mid	3.25	-43.13	1	285.432	1.57	4	2	10	CCCC[N@@H+](C)CCNC(=O)NCCC1(CO)CCC1
398248498	ZINC000650869080	high	0.94	-9.09	0	285.432	1.57	3	3	10	CCCCN(C)CCNC(=O)NCCC1(CO)CCC1
398249513	ZINC000100413412	mid	7.39	-30.87	1	226.408	3.031	2	1	8	CCCCCCCCC[N@@H+]1CCNC[C@@H]1C
187169299	ZINC000125098837	ref	2.28	-15.96	0	292.379	1.88	3	3	5	C[C@@H](O)C[C@@H]1CCCN1C(=O)NCCc1cccc(O)c1
178300856	ZINC000072416715	ref	5.4	-11.59	0	219.288	2.079	1	3	3	Cc1cc2n[nH]cc2c(=O)n1CCC(C)C
342595145	ZINC000590775276	ref	6.27	-10.28	0	289.335	1.659	1	5	5	CC(C)OC(=O)[C@@H](NC(=O)c1cccc(C#N)n1)C(C)C
342595146	ZINC000590774080	ref	4.54	-11.59	0	295.31	1.598	1	4	2	COC(=O)c1ccc(C(=O)N2CCC[C@@H](O)[C@H]2C)cc1F
398248503	ZINC000650869784	ref	4.38	-16.67	0	267.373	1.2	2	2	5	CCN1C[C@@H](CNC(=O)NC[C@@H]2CC2(C)C)CC1=O
342595147	ZINC000590775391	ref	5.86	-11.42	0	285.384	1.776	2	4	6	CCC[C@H](O)CC(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
398248506	ZINC000650870594	ref	5.34	-12.52	0	294.399	1.859	1	4	6	CCn1cc(CN(C(=O)NCC2(C)COC2)C(C)C)cn1
398248511	ZINC000650870585	ref	1.82	-11.37	0	270.373	1.073	2	3	4	C[C@H](CO)C1CCN(C(=O)NCC2(C)COC2)CC1
398248516	ZINC000650870311	ref	6.17	-15.53	0	273.336	1.747	1	4	5	CCC[C@@H](C)C(=O)NCc1cc(=O)n2ccccc2n1
398248520	ZINC000650869935	ref	3.59	-10.87	0	282.388	1.937	2	4	6	CC(C)n1cc([C@H](C)NC(=O)N(C)[C@H](C)CCO)cn1
222608377	ZINC000222457936	ref	11.82	-18.14	0	396.531	4.014	1	3	9	CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C
398248523	ZINC000650869182	ref	4.09	-43.56	1	259.394	1.131	3	2	9	CCCC[N@H+](C)CCNC(=O)N(C)[C@H](C)CCO
398248526	ZINC000650869182	mid	4.1	-43.6	1	259.394	1.131	3	2	9	CCCC[N@@H+](C)CCNC(=O)N(C)[C@H](C)CCO
398248528	ZINC000650869182	high	1.78	-9.05	0	259.394	1.131	2	3	9	CCCCN(C)CCNC(=O)N(C)[C@H](C)CCO
398248530	ZINC000650870723	ref	3.39	-7.8	0	270.373	1.527	2	3	7	C[C@@H](COCC1CC1)NC(=O)NC[C@@]1(C)CCOC1
398248534	ZINC000650870610	ref	2.56	-8.02	0	256.346	1.137	2	3	7	C[C@@H](COCC1CC1)NC(=O)NCC1(C)COC1
342595148	ZINC000590774482	ref	4.11	-10.97	0	289.291	1.137	1	6	5	COC(=O)c1cc(C(=O)NCCc2ncccc2C)on1
398248538	ZINC000650869269	ref	6.82	-43.86	1	285.432	1.927	2	2	7	CCCC[N@H+](C)CCNC(=O)N1C[C@H](CC)OC[C@@H]1C
398248541	ZINC000650869269	mid	6.81	-43.85	1	285.432	1.927	2	2	7	CCCC[N@@H+](C)CCNC(=O)N1C[C@H](CC)OC[C@@H]1C
398248542	ZINC000650869269	high	4.5	-8.25	0	285.432	1.927	1	3	7	CCCCN(C)CCNC(=O)N1C[C@H](CC)OC[C@@H]1C
398248546	ZINC000650870285	ref	6.74	-15.58	0	285.347	1.891	1	4	4	O=C(CC1CCCC1)NCc1cc(=O)n2ccccc2n1
342595149	ZINC000590775327	ref	2.76	-7.92	0	268.313	1.689	1	5	5	Cc1nc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)co1
342595150	ZINC000590774073	ref	4.16	-13.33	0	271.357	1.338	1	4	4	COC(=O)CC(C)(C)CC(=O)N1CCC[C@H](O)[C@H]1C
168366009	ZINC000047845244	ref	-1.62	-40.87	1	124.134	-0.074	2	1	2	C[C@@H]([NH3+])[C@@H](N)C(F)F
398248549	ZINC000650869714	ref	2.9	-10.55	0	290.367	1.395	2	4	4	CC1(C)C[C@H]1CNC(=O)NCc1ncc2c(n1)CCOC2
343994974	ZINC000625565435	ref	9.36	-33.89	1	225.376	2.779	1	1	7	CCO[C@@H](C[N@H+](C)C[C@H]1CC1(C)C)C1CC1
398248553	ZINC000650869782	ref	2.46	-8.44	0	254.374	1.884	3	2	6	CC1(C)C[C@H]1CNC(=O)NCCC1(CO)CCC1
342078373	ZINC000625292557	low	5.73	-43.65	1	286.416	1.273	2	3	7	CCO[C@H](C(=O)N[C@H](C)[C@H](C)[NH+]1CCOCC1)C(C)C
342078374	ZINC000600311671	ref	6.33	-50.35	1	255.387	1.091	2	3	5	C[N@@H+]1CCCC[C@@H](CNC(=O)CSCC#N)C1
349534595	ZINC000106892758	ref	4.69	-15.73	0	291.413	1.684	1	4	6	COC(=O)C1CCC(NS(=O)(=O)CCC(C)C)CC1
342078375	ZINC000600311671	mid	6.16	-50.3	1	255.387	1.091	2	3	5	C[N@H+]1CCCC[C@@H](CNC(=O)CSCC#N)C1
342078376	ZINC000625291181	ref	7.63	-18.81	0	294.395	1.415	0	3	5	CCO[C@H](C(=O)N1CCC(N2CCCC2=O)CC1)C1CC1
342078377	ZINC000625294390	ref	1.76	-6.2	0	273.336	1.962	1	5	7	COC[C@H](NCc1cncc(OC)n1)c1ccccc1
349534600	ZINC000618813794	ref	5.97	-41.63	1	279.388	1.038	1	4	4	C[C@H](C(=O)N(C)Cc1cn(C)nn1)[NH+]1CCCCCC1
349534602	ZINC000618813794	high	3.93	-20.13	0	279.388	1.038	0	5	4	C[C@H](C(=O)N(C)Cc1cn(C)nn1)N1CCCCCC1
214184323	ZINC000053454927	ref	7.15	-18.02	0	337.383	2.584	0	6	3	Cc1noc(C2CCN(C(=O)c3ccccc3-n3cccn3)CC2)n1
214184328	ZINC000053451646	ref	6.4	-10.98	0	349.46	2.353	1	7	7	CC(C)C[C@@H](C)N(C)C(=O)CSc1nnnn1-c1ccc(O)cc1
342078378	ZINC000625294390	low	2.98	-42.85	1	273.336	1.962	1	4	7	COC[C@H]([NH2+]Cc1cncc(OC)n1)c1ccccc1
342078379	ZINC000625292183	ref	5.14	-11.9	0	294.399	1.432	1	6	6	COCc1nnc(N2CC[C@@H](CO)C[C@H]2C)n1CC1CC1
214184332	ZINC000053448772	ref	8.33	-10.81	0	326.466	2.111	1	5	6	CCCn1c(SCC(=O)N(C)[C@@H]2CCCC[C@H]2C)n[nH]c1=O
342078380	ZINC000608849054	ref	8.15	-10.05	0	290.363	1.814	0	4	7	COC(=O)[C@H](C)CN(C(=O)CCc1cccnc1)C1CC1
293078019	ZINC000561316925	high	6.67	-27.6	1	281.444	1.661	1	2	5	CN(CC1([NH+](C)C)CCC1)C(=O)CN1CCC(C)(C)C1
342078381	ZINC000617964162	ref	4.25	-21.8	0	292.364	1.626	1	6	5	CCO[C@@H]1C[C@@H](NC(=O)c2sccc2-n2ccnn2)C1
342078382	ZINC000608846382	ref	3.89	-13.57	0	259.309	1.089	2	3	4	CC(=O)NC(C)(C)C(=O)NCc1cccc(C#N)c1
342078383	ZINC000625292488	ref	3.25	-6.77	0	296.333	1.8	1	3	5	C[C@H](NC(=O)C[C@H](C)C(F)(F)F)[C@@H](C)N1CCOCC1
349534607	ZINC000618812566	ref	5.88	-23.64	0	295.346	1.944	0	5	3	Cc1cc(C(=O)N(C)Cc2cn(C)nn2)c2ccccc2n1
349534610	ZINC000618813359	ref	4.07	-24.11	0	290.323	1.104	0	6	5	COc1ccc(OC)c(C(=O)N(C)Cc2cn(C)nn2)c1
214184336	ZINC000053456722	ref	8.79	-15.24	0	333.391	2.536	1	3	4	Cc1ccc(N2CC[C@H](C(=O)NCc3cccc(C#N)c3)C2=O)cc1
342078384	ZINC000625292488	mid	5.13	-40.84	1	296.333	1.8	2	2	5	C[C@H](NC(=O)C[C@H](C)C(F)(F)F)[C@@H](C)[NH+]1CCOCC1
349534596	ZINC000621493371	ref	7.79	-9.8	0	288.382	3.499	1	1	4	CC(C)(C)C[C@@H]1CCN(C(=O)NCC[C@H]2CC2(F)F)C1
342595151	ZINC000590775627	ref	5.28	-9.73	0	298.383	1.139	2	4	5	CCC(=O)N[C@@H](C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
342595152	ZINC000590775322	ref	7.4	-9.24	0	253.342	1.88	1	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C
365633345	ZINC000617415482	mid	5.58	-45.3	1	281.4	0.892	3	2	4	C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCC[N@@H+](C)C1
342595153	ZINC000590775334	ref	6.76	-10.68	0	295.383	1.538	1	5	7	CCn1cc(CC(=O)N[C@H](C(=O)OC(C)C)C(C)C)cn1
365633351	ZINC000617415482	mid	2.7	-8.79	0	281.4	0.892	2	3	4	C[C@H](NC(=O)C1CCCC1)C(=O)N[C@@H]1CCCN(C)C1
178300860	ZINC000031943798	ref	8.35	-10.24	0	240.281	3.986	1	1	1	Cc1cc2nc(-c3cccc(F)c3)[nH]c2cc1C
365633358	ZINC000617415425	ref	5.45	-42.36	1	250.346	0.792	2	3	4	Cc1cnn(CCC(=O)N[C@H]2CCC[N@@H+](C)C2)c1
342595154	ZINC000590774084	ref	1.36	-13.31	0	260.293	1.249	2	4	1	C[C@@H]1[C@H](O)CCCN1C(=O)c1cc(O)cc(C#N)c1
282122226	ZINC000330246451	ref	5.36	-39.51	1	311.426	1.265	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCC3)C2)CCO1
342595155	ZINC000590774084	mid	2.12	-39.33	-1	260.293	1.249	1	4	1	C[C@@H]1[C@H](O)CCCN1C(=O)c1cc([O-])cc(C#N)c1
190493500	ZINC000269424281	ref	9.7	-11.46	0	287.403	3.035	0	2	3	C[C@@H]1[C@H](Cc2ccccc2)CCN1C(=O)[C@@H]1CCCCO1
342595156	ZINC000590774868	ref	6.78	-12.78	0	285.384	1.849	0	4	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@H](OC)[C@H](C)C1
342595157	ZINC000590774869	ref	6.77	-12.81	0	285.384	1.849	0	4	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@@H](OC)[C@@H](C)C1
282122247	ZINC000330246451	high	2.81	-9.05	0	311.426	1.265	1	4	3	CN(C)C[C@@H]1CN(C(=O)N[C@H]2CCOC3(CCC3)C2)CCO1
398248504	ZINC000649442683	ref	4.74	-9.2	0	221.304	1.728	0	4	3	CCO[C@H]1CCN(c2cccnn2)C[C@H]1C
349534599	ZINC000621493195	ref	7.52	-13.22	0	286.322	3.165	1	2	6	CCN(Cc1occc1C)C(=O)NCC[C@@H]1CC1(F)F
190493502	ZINC000269423294	ref	0.55	-20.26	0	280.28	-0.516	2	5	4	NC(=O)[C@@H]1CN(C(=O)COc2ccccc2O)CCO1
185087807	ZINC000096074631	ref	5.4	-35.86	1	290.411	1.486	2	3	4	c1nc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)c[nH]1
342595158	ZINC000590774102	ref	5.29	-15.05	0	291.347	1.387	1	4	3	COC(=O)Cc1cccc(C(=O)N2CCC[C@@H](O)[C@H]2C)c1
342595159	ZINC000590775542	ref	7.96	-6.55	0	280.368	1.971	1	4	7	CC(C)OC(=O)[C@@H](NC(=O)CCn1cccc1)C(C)C
349534604	ZINC000621494173	ref	8.2	-9.92	0	286.366	3.253	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CC[C@@H](C2CCCC2)C1
178300862	ZINC000237168556	ref	5.34	-50.8	1	362.405	1.818	1	5	7	COCC[NH2+]CC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1
365633354	ZINC000336550232	ref	4.68	-8.25	0	284.4	2.012	1	3	2	CC(C)(C)[C@H]1CN(C(=O)NC[C@]2(C)CCCO2)CCO1
365633363	ZINC000336550086	ref	1.76	-11.96	0	294.33	2.239	2	3	3	C[C@@H](NC(=O)N1CC[C@](C)(C(N)=O)C1)c1cncc(F)c1
214184340	ZINC000053464616	ref	4.42	-20.01	0	329.425	2.028	2	4	5	C[C@@H](CNC(=O)c1cc(C(N)=O)cs1)N1CCc2ccccc21
398249514	ZINC000390798777	ref	1.85	-97.46	2	211.309	-0.146	3	1	3	C[C@@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCC[NH2+]1
178300865	ZINC000237168556	high	3.99	-14.59	0	362.405	1.818	1	6	7	COCCNCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1
178300869	ZINC000237159014	ref	5.51	-94.22	2	354.564	1.148	3	3	5	CN1CCC(CNC(=O)C[C@@H]2CSCC[NH2+]2)([NH+]2CCCCC2)CC1
178300871	ZINC000237159014	low	7.89	-182.48	3	354.564	1.148	4	2	5	C[NH+]1CCC(CNC(=O)C[C@@H]2CSCC[NH2+]2)([NH+]2CCCCC2)CC1
214184343	ZINC000053461193	ref	7.57	-11.21	0	333.432	2.687	0	4	3	CN(Cc1cccnc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
178300873	ZINC000237159014	high	4.28	-41.27	1	354.564	1.148	3	4	5	CN1CCC(CNC(=O)C[C@@H]2CSCCN2)([NH+]2CCCCC2)CC1
178300876	ZINC000237166705	ref	6.7	-52.1	1	353.413	1.933	2	2	7	C[NH2+]C[C@@H]1CCCN(C(=O)CCCNC(=O)c2ccc(F)cc2F)C1
178300879	ZINC000237161616	ref	7.82	-97.17	2	352.91	1.968	3	2	9	C[NH2+]CCCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1
214184345	ZINC000053455360	ref	4.96	-19.43	0	344.396	1.711	2	5	3	O=C(Nc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)Nc1nccs1
178300883	ZINC000237161616	mid	5.45	-45.75	1	352.91	1.968	2	3	9	C[NH2+]CCCC(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
214184348	ZINC000053454139	ref	7.4	-17.27	0	343.387	1.211	0	7	4	O=C(COc1ccc(-n2cnnn2)cc1)N1CCO[C@@H]2CCCC[C@H]21
214184350	ZINC000053450709	ref	8.99	-42.31	1	330.472	2.564	2	2	7	Cc1cc(C)cc(C2(C(=O)NCCCC[NH+]3CCOCC3)CC2)c1
214184353	ZINC000053450709	mid	6.59	-8.79	0	330.472	2.564	1	3	7	Cc1cc(C)cc(C2(C(=O)NCCCCN3CCOCC3)CC2)c1
214184357	ZINC000053459856	ref	9.04	-17.88	0	343.471	3.229	2	3	5	CC(=O)N[C@H](C(=O)Nc1ccc(N2CCCC2)cc1C)C1CCCC1
214184360	ZINC000053458235	ref	2.42	-21.12	0	334.397	2.355	2	5	6	COc1ccc([C@@H](C)NC(=O)c2cc(C(N)=O)cs2)cc1OC
214184362	ZINC000053464584	ref	6.74	-9.18	0	331.46	2.106	2	3	6	C[C@@H](CNC(=O)CNC(=O)CC(C)(C)C)N1CCc2ccccc21
342595160	ZINC000590774087	ref	1.34	-12.17	0	260.293	1.249	2	4	1	C[C@H]1[C@@H](O)CCCN1C(=O)c1cc(O)cc(C#N)c1
342595161	ZINC000590774087	mid	2.1	-39.85	-1	260.293	1.249	1	4	1	C[C@H]1[C@@H](O)CCCN1C(=O)c1cc([O-])cc(C#N)c1
342595162	ZINC000590775595	ref	6.61	-8.27	0	283.368	1.649	1	4	5	CCO[C@@H]1C[C@H]1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
342595163	ZINC000590774852	ref	3.85	-10.55	0	274.32	1.761	1	4	2	CO[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@H]1C
342595164	ZINC000590774852	mid	4.61	-43.38	-1	274.32	1.761	0	4	2	CO[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H]1C
342595165	ZINC000590773832	ref	3.19	-23.72	0	283.393	1.969	1	3	6	CC[C@@](C)(CNC(=O)c1cccc([S@@](C)=O)c1)OC
303959968	ZINC000335952656	ref	6.17	-5.69	0	251.37	2.642	1	2	2	O=C(N[C@H]1CCCOCC1)[C@@H]1CC12CCCCC2
342595166	ZINC000590773807	ref	3.22	-19.92	0	283.393	1.969	1	3	6	CC[C@](C)(CNC(=O)c1ccc([S@@](C)=O)cc1)OC
342595167	ZINC000590775386	ref	2.01	-8.61	0	254.286	1.381	1	5	5	CC(C)OC(=O)[C@@H](NC(=O)c1cocn1)C(C)C
214184344	ZINC000337622934	ref	1.59	-23.31	0	290.327	0.04	3	5	5	CC(C)(CNC(=O)NCc1nnc2ccccn12)C(N)=O
282122228	ZINC000183877904	high	5.24	-13.32	0	319.467	1.911	1	5	7	CCC(CC)(CN[C@H]1CCCC[C@H]1S(C)(=O)=O)C(=O)OC
214184351	ZINC000337620817	ref	2.24	-11.54	0	284.381	0.652	1	5	5	C[C@@H]1CN(C(=O)COc2ccsc2)CCN1CCO
214184354	ZINC000337620817	mid	4.19	-45.61	1	284.381	0.652	2	4	5	C[C@@H]1CN(C(=O)COc2ccsc2)CC[N@@H+]1CCO
214184356	ZINC000337620817	mid	4.36	-44.17	1	284.381	0.652	2	4	5	C[C@@H]1CN(C(=O)COc2ccsc2)CC[N@H+]1CCO
214184358	ZINC000337620470	ref	1.85	-15.86	0	286.217	0.554	1	6	3	Cn1nnnc1CNC(=O)c1ccncc1C(F)(F)F
342595168	ZINC000590774086	ref	1.17	-12.04	0	260.293	1.249	2	4	1	C[C@H]1[C@H](O)CCCN1C(=O)c1cc(O)cc(C#N)c1
282122233	ZINC000263105040	ref	9.71	-38.07	0	267.413	3.436	1	2	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H](C2CC2)C1)C(=O)[O-]
282122250	ZINC000263007489	ref	8.54	-37.26	0	255.402	3.436	1	2	6	CCC(CC)(C[NH2+][C@H]1CCCC(C)(C)C1)C(=O)[O-]
342595169	ZINC000590774086	mid	1.93	-35.99	-1	260.293	1.249	1	4	1	C[C@H]1[C@H](O)CCCN1C(=O)c1cc([O-])cc(C#N)c1
178300864	ZINC000336606985	ref	4.59	-9.1	0	245.326	2.71	2	3	3	Cc1cc2n[nH]cc2cc1NC[C@H]1CCCOC1
342595170	ZINC000590774405	ref	2.92	-10.57	0	292.31	1.76	2	4	4	N#Cc1cc(O)cc(C(=O)NCC2(CF)CCOCC2)c1
342595171	ZINC000590774405	mid	3.67	-38.55	-1	292.31	1.76	1	4	4	N#Cc1cc([O-])cc(C(=O)NCC2(CF)CCOCC2)c1
342595172	ZINC000590775432	ref	2.13	-7.96	0	254.286	1.381	1	5	5	CC(C)OC(=O)[C@@H](NC(=O)c1cnco1)C(C)C
187169300	ZINC000125091788	ref	7.2	-58.6	1	250.302	1.737	1	4	6	O=[N+]([O-])c1cnn(CC[NH2+]C[C@H]2CC=CCC2)c1
282122229	ZINC000151646892	mid	4.17	-11.69	0	306.406	2.065	1	4	7	CCC(=O)N[C@@H]1CCCN(CCOc2cccc(OC)c2)C1
282122234	ZINC000151643074	ref	6.82	-13.87	0	322.453	2.347	1	4	7	Cc1cc(C)n(CCCNC(=O)N2CC[C@@H](OCC(C)C)C2)n1
342595173	ZINC000590775366	ref	7.51	-37.08	1	282.384	1.176	2	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CC[N@H+](C)C1
398248505	ZINC000651459633	ref	7.42	-7.48	0	272.339	3.006	1	1	1	C[C@H]1CN(C(=O)NC2CC3(CCC3)C2)CCC1(F)F
178300872	ZINC000004291309	ref	4.54	-7.51	0	201.22	2.202	1	3	1	Cc1cc2n(n1)[C@H](C(F)F)C[C@H](C)N2
214184366	ZINC000337620495	ref	2.5	-19.11	0	293.323	0.761	1	6	7	CN(CCOCCO)C(=O)c1cn(C)nc1-c1ccoc1
178300875	ZINC000285072742	ref	6.92	-9.54	0	240.31	2.889	1	3	1	Cc1cc2nc(-c3c(C)cnn3C)[nH]c2cc1C
178300881	ZINC000000393644	ref	5.82	-10.51	0	238.29	3.552	2	2	1	Cc1cc2nc(-c3ccccc3O)[nH]c2cc1C
282122239	ZINC000151663902	ref	6.66	-8.78	0	306.41	2.187	1	4	6	CCCCn1ncc(NC(=O)C(=O)N(C)[C@@H](C)C2CC2)c1C
187169301	ZINC000125096245	ref	6.79	-39.29	1	276.38	2.326	2	3	5	c1ccc(N[C@H]2CCC[N@@H+](CCC3OCCO3)C2)cc1
187169302	ZINC000125096245	mid	7.23	-38.94	1	276.38	2.326	2	3	5	c1ccc(N[C@H]2CCC[N@H+](CCC3OCCO3)C2)cc1
178300885	ZINC000103276688	ref	6.12	-10.72	0	243.291	2.126	0	5	1	Cc1cc2nc(-c3ccccc3)sc(=O)n2n1
282122253	ZINC000151647161	ref	5.0	-12.65	0	321.417	2.058	2	4	7	CC[C@H](Oc1ccccc1C)C(=O)NCC1(CO)CCOCC1
178300890	ZINC000031943797	ref	8.5	-12.73	0	240.281	3.986	1	1	1	Cc1cc2nc(-c3ccccc3F)[nH]c2cc1C
365633360	ZINC000565363084	mid	6.02	-50.47	1	289.383	1.297	2	5	5	C[N@@H+](CC[C@@H]1CCCO1)C[C@@H]1CNc2c(C#N)cnn2C1
187169303	ZINC000125101667	ref	4.41	-12.98	0	296.305	2.402	1	4	3	Cc1cncc(CNC(=O)c2cc(F)cc3nccnc23)c1
187169304	ZINC000125098947	ref	5.21	-60.44	1	289.379	1.015	2	2	4	C[C@H](CC(=O)N1CC[NH2+]C[C@H]1C)NC(=O)c1ccccc1
342595174	ZINC000590775366	mid	7.51	-37.44	1	282.384	1.176	2	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CC[N@@H+](C)C1
185087809	ZINC000096074631	mid	5.38	-35.63	1	290.411	1.486	2	3	4	c1nc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)c[nH]1
178300897	ZINC000012357570	ref	5.47	-42.06	-1	245.16	1.755	0	5	1	Cc1cc2nc(C(=O)[O-])cc(C(F)(F)F)n2n1
214184369	ZINC000337623547	ref	7.26	-10.24	0	294.358	3.278	1	5	6	CCOc1ncccc1NCc1ccc(-n2ccnc2)cc1
365633364	ZINC000354703576	ref	-1.0	-8.9	0	284.36	1.347	3	5	5	COc1nn(C)cc1NC(=O)NC[C@H](O)CC(C)(C)C
365633372	ZINC000354701994	ref	4.51	-49.66	1	280.412	1.53	3	2	4	O=C1C[C@@]2(CCC[N@@H+](C[C@@H](O)CC3CCCC3)C2)CN1
342595175	ZINC000590774851	ref	3.64	-11.93	0	274.32	1.761	1	4	2	CO[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@H]1C
365633377	ZINC000354701994	mid	4.43	-50.78	1	280.412	1.53	3	2	4	O=C1C[C@@]2(CCC[N@H+](C[C@@H](O)CC3CCCC3)C2)CN1
365633385	ZINC000354702772	ref	3.41	-7.46	0	280.372	1.651	1	5	5	CC(C)[C@@H](C)CNC(=O)c1cn(C2CCOCC2)nn1
365633397	ZINC000457195946	ref	7.02	-39.66	1	286.379	1.866	2	3	7	Cc1nc(C(=O)NCCCC[N@@H+](C)C2CC2)ccc1C#N
398248507	ZINC000649442935	ref	3.23	-48.68	1	230.267	1.394	2	2	1	O=C1COc2cc(C3=CC[NH2+]CC3)ccc2N1
342595176	ZINC000590774851	mid	4.4	-36.82	-1	274.32	1.761	0	4	2	CO[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@H]1C
365633406	ZINC000457195946	mid	7.01	-39.53	1	286.379	1.866	2	3	7	Cc1nc(C(=O)NCCCC[N@H+](C)C2CC2)ccc1C#N
342595177	ZINC000590774871	ref	6.52	-13.16	0	285.384	1.849	0	4	5	COC(=O)CC(C)(C)CC(=O)N1CC[C@@H](OC)[C@H](C)C1
365633412	ZINC000354703772	ref	3.77	-8.98	0	262.353	1.81	2	3	6	C/C=C\C[C@H](CO)NC(=O)c1cccc(N(C)C)c1
342595178	ZINC000590773834	ref	3.19	-13.26	0	283.393	1.969	1	3	6	CC[C@@](C)(CNC(=O)c1cccc([S@](C)=O)c1)OC
342595179	ZINC000590774849	ref	3.64	-11.78	0	274.32	1.761	1	4	2	CO[C@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H]1C
342595180	ZINC000590774849	mid	4.4	-36.99	-1	274.32	1.761	0	4	2	CO[C@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1C
342595181	ZINC000590775409	ref	6.78	-8.91	0	295.379	1.649	1	4	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21
342595182	ZINC000590774581	ref	4.41	-9.76	0	288.25	1.626	1	5	4	COC(=O)c1cc(C(=O)NC[C@@H]2CCCC2(F)F)on1
342595183	ZINC000590774072	ref	4.33	-13.0	0	271.357	1.338	1	4	4	COC(=O)CC(C)(C)CC(=O)N1CCC[C@@H](O)[C@H]1C
365633420	ZINC000354701732	ref	4.31	-6.43	0	257.374	1.979	1	3	6	CCOC[C@H](NC(=O)[C@H]1CCO[C@@H](C)C1)C(C)C
214184368	ZINC000053454721	ref	5.05	-20.9	0	349.435	1.478	0	5	2	Cc1noc(C2CCN(C(=O)C3CCN(C(=O)N(C)C)CC3)CC2)n1
214190416	ZINC000053605134	ref	2.04	-12.77	0	336.417	1.792	1	6	4	CC(C)c1nc(CN2c3ccc(S(N)(=O)=O)cc3C[C@@H]2C)no1
214190420	ZINC000053595357	ref	3.55	-13.88	0	328.368	2.82	3	4	6	COC(=O)Nc1ccc(CNC(=O)CCc2ccccc2O)cc1
214190425	ZINC000053601093	ref	8.58	-9.66	0	347.459	3.077	0	4	4	CCN(Cc1ccncc1)C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
342078385	ZINC000625292128	ref	6.35	-11.79	0	270.398	1.821	0	3	2	C[C@H]1CN(C(=O)N(C)CC2=CCSC2)C[C@@H](C)O1
185087811	ZINC000096074631	mid	5.38	-37.33	1	290.411	1.486	2	3	4	c1ncc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)[nH]1
185087813	ZINC000096074631	mid	5.35	-36.16	1	290.411	1.486	2	3	4	c1ncc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)[nH]1
282122230	ZINC000533469453	ref	1.21	-12.2	0	262.265	1.252	2	4	5	Cc1ccc(CCNC(=O)c2ccc(C(N)=O)o2)o1
282122237	ZINC000533467974	ref	5.72	-11.2	0	261.329	1.03	1	6	2	Cc1nnc2c(N3CCC[C@@H]([C@@H](C)O)C3)nccn12
342078386	ZINC000625290568	ref	1.5	-43.2	1	265.353	1.709	4	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cccc(O)c1
282122242	ZINC000533468235	ref	7.62	-11.44	0	262.292	1.717	1	6	3	C[C@H](Nc1ncc(F)cn1)c1nnc2n1CCCC2
342078387	ZINC000625290568	high	0.4	-5.67	0	265.353	1.709	4	4	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1cccc(O)c1
185087817	ZINC000096074631	high	4.38	-6.61	0	290.411	1.486	1	4	4	c1nc(CN2CCC3(CC2)COCCN3CC2CC2)c[nH]1
282122248	ZINC000533469740	ref	0.48	-13.53	0	261.237	1.034	2	5	4	COc1cccnc1NC(=O)c1ccc(C(N)=O)o1
342078388	ZINC000608846218	ref	4.05	-15.26	0	265.269	1.448	2	4	4	CC(=O)NC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1
185386243	ZINC000096747965	ref	2.04	-15.59	0	311.407	2.203	4	4	4	CC(C)(C)OC(=O)NCCNC(=S)Nc1ccc(O)cc1
185087822	ZINC000096073782	ref	6.17	-40.6	1	288.395	1.922	2	4	4	c1cnc(N[C@H]2CO[C@@]3(CCC[N@@H+](CC4CC4)C3)C2)cn1
342078389	ZINC000625290885	ref	4.51	-10.27	0	293.404	1.955	0	3	4	CC1(C)C[C@H](S(=O)(=O)N2CCC[C@@H](CCF)C2)CO1
342078390	ZINC000608846393	ref	4.57	-17.46	0	259.309	1.606	2	3	4	CC(=O)NC(C)(C)C(=O)Nc1ccc(CC#N)cc1
342078391	ZINC000625290886	ref	4.3	-10.0	0	293.404	1.955	0	3	4	CC1(C)C[C@@H](S(=O)(=O)N2CCC[C@H](CCF)C2)CO1
342078392	ZINC000031705459	ref	1.76	-18.01	0	259.265	1.348	0	5	4	O=C(COc1ccc(-c2nnco2)cc1)N1CCC1
342078393	ZINC000165689289	ref	4.7	-13.21	0	282.34	1.091	1	4	2	CC(C)(C)OC(=O)N1CC[C@H](NC(=O)C2CC2)C(=O)C1
342078394	ZINC000625294488	ref	2.76	-38.52	1	291.391	1.94	3	3	7	COc1ccc(C2([NH2+]C[C@@H](O)CC3(O)CCC3)CC2)cc1
185087823	ZINC000096073782	mid	6.08	-40.49	1	288.395	1.922	2	4	4	c1cnc(N[C@H]2CO[C@@]3(CCC[N@H+](CC4CC4)C3)C2)cn1
349534597	ZINC000621234686	ref	4.14	-9.17	0	266.341	2.26	0	4	5	Cc1nc(C(=O)N2CC[C@@H](OCCC(C)C)C2)co1
342078395	ZINC000625294488	high	1.64	-5.58	0	291.391	1.94	3	4	7	COc1ccc(C2(NC[C@@H](O)CC3(O)CCC3)CC2)cc1
365633365	ZINC000617415425	mid	5.99	-43.71	1	250.346	0.792	2	3	4	Cc1cnn(CCC(=O)N[C@H]2CCC[N@H+](C)C2)c1
349534598	ZINC000093281949	low	3.31	-47.29	1	295.387	0.78	3	4	3	CC(C)(C)n1cc(NC(=O)N2CC[NH+](CCO)CC2)cn1
365633374	ZINC000617415425	high	3.1	-8.9	0	250.346	0.792	1	4	4	Cc1cnn(CCC(=O)N[C@H]2CCCN(C)C2)c1
349534603	ZINC000093287514	ref	4.64	-9.44	0	274.324	0.99	0	6	6	COC(=O)CN(Cc1ccccc1)Cc1cnnn1C
349534606	ZINC000093260930	ref	4.86	-10.24	0	282.344	0.416	1	5	6	CCOCCN(C)C(=O)C(=O)Nc1cc(CC)nn1C
178305389	ZINC000037694322	ref	5.48	-11.43	0	204.273	2.034	1	3	2	Cc1cc2ncn(C[C@@H](C)O)c2cc1C
197592137	ZINC000290092647	ref	6.21	-9.54	0	286.379	2.085	1	4	5	CCc1ccc(C(C)(C)CNC(=O)c2cn(C)nn2)cc1
365633382	ZINC000617423182	ref	5.6	-23.06	0	272.312	0.857	1	6	2	C[C@H]1C[C@H](NC(=O)c2cnc3n2CCC3)c2ncnn21
342595184	ZINC000590774850	ref	3.88	-11.74	0	274.32	1.761	1	4	2	CO[C@@H]1CCN(C(=O)c2cc(O)cc(C#N)c2)C[C@@H]1C
342595185	ZINC000590774850	mid	4.64	-36.87	-1	274.32	1.761	0	4	2	CO[C@@H]1CCN(C(=O)c2cc([O-])cc(C#N)c2)C[C@@H]1C
365633388	ZINC000617423548	ref	3.79	-16.97	0	273.3	0.491	1	7	4	C=CCn1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)nn1
349534611	ZINC000093260637	ref	0.96	-12.81	0	274.324	0.937	1	5	5	N#CCCN1CCC(Oc2ccnc(C(N)=O)c2)CC1
342595186	ZINC000590773810	ref	3.2	-15.6	0	283.393	1.969	1	3	6	CC[C@@](C)(CNC(=O)c1ccc([S@](C)=O)cc1)OC
342595187	ZINC000616962719	ref	2.71	-17.94	0	271.32	1.403	3	2	2	Cc1ccc2[nH]c(C(=O)N[C@H]3CCNC3=O)c(C)c2c1
349534617	ZINC000093260637	low	3.34	-55.32	1	274.324	0.937	2	4	5	N#CCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1
342595188	ZINC000616962714	ref	2.71	-17.93	0	271.32	1.403	3	2	2	Cc1ccc2[nH]c(C(=O)N[C@@H]3CCNC3=O)c(C)c2c1
365633398	ZINC000617415544	ref	5.93	-46.64	1	250.346	0.563	2	3	4	Cn1cc(CCC(=O)N[C@H]2CCC[N@H+](C)C2)cn1
342595189	ZINC000590774227	ref	4.26	-6.93	0	252.27	1.403	1	5	5	C=CC(C)(C)CNC(=O)c1cc(C(=O)OC)no1
342595190	ZINC000590773806	ref	2.61	-7.34	0	270.285	1.006	1	6	6	CC[C@@](C)(CNC(=O)c1cc(C(=O)OC)no1)OC
365633404	ZINC000617415544	mid	5.39	-44.85	1	250.346	0.563	2	3	4	Cn1cc(CCC(=O)N[C@H]2CCC[N@@H+](C)C2)cn1
197592152	ZINC000290091801	ref	1.28	-8.49	0	250.298	1.754	3	3	6	C=C[C@@H](CO)NC(=O)Nc1ccccc1OCC
342595191	ZINC000590775598	ref	6.61	-8.85	0	283.368	1.649	1	4	5	CCO[C@H]1C[C@@H]1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
365633410	ZINC000617415544	high	3.03	-11.46	0	250.346	0.563	1	4	4	CN1CCC[C@H](NC(=O)CCc2cnn(C)c2)C1
178300887	ZINC000237169749	ref	3.46	-50.34	1	369.412	1.721	2	4	9	COc1cc(/C=C/C(=O)NCCCN2CC[NH2+]CC2)ccc1OC(F)F
178300889	ZINC000237163974	ref	5.4	-66.76	1	366.849	1.669	2	5	10	COc1cc(C[NH2+]CCCc2cnn(C)c2)cc(Cl)c1OCC(N)=O
178300893	ZINC000237156270	ref	5.86	-45.59	1	354.336	1.505	1	5	3	C[NH2+]C1CCN(C(=O)c2cn(-c3ccc(C(F)(F)F)cn3)nn2)CC1
370645352	ZINC000236879807	mid	6.4	-42.1	1	299.378	2.143	3	3	4	CC(C)c1nnc(-c2ccccc2NC(=O)[C@@H]2CC[NH2+]C2)[nH]1
214184370	ZINC000337623547	low	7.77	-36.95	1	294.358	3.278	1	4	6	CCOc1ncccc1NCc1ccc(-n2cc[nH+]c2)cc1
361823413	ZINC000351630703	ref	3.87	-10.78	0	279.38	1.831	2	3	8	COC[C@@](C)(CCO)NC(=O)CCc1ccc(C)cc1
282122232	ZINC000449153020	ref	4.9	-34.59	1	254.418	2.265	1	2	6	CC[C@H]([NH2+]CC1(N(C)C)CCOCC1)C1CCC1
361823419	ZINC000351630945	ref	1.4	-12.75	0	266.341	1.68	2	4	6	CC[C@@](C)(CCO)NC(=O)c1ccc(C)nc1OC
178300895	ZINC000237156181	ref	5.8	-56.58	1	352.46	1.893	2	6	7	COC(=O)CCCc1nnc(NC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)s1
178300899	ZINC000237156226	ref	4.88	-50.79	1	354.472	1.8	2	4	7	COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1
178300901	ZINC000237173560	ref	6.08	-44.99	1	357.376	1.893	2	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)C1
361823426	ZINC000351630761	ref	8.1	-37.89	1	274.368	1.712	2	4	5	C[C@H]1CC[C@H]([N@H+](CCO)Cc2cn3cccnc3n2)C1
361823430	ZINC000351630761	mid	7.94	-36.17	1	274.368	1.712	2	4	5	C[C@H]1CC[C@H]([N@@H+](CCO)Cc2cn3cccnc3n2)C1
214184372	ZINC000337621932	ref	7.98	-13.14	0	278.302	3.264	1	1	4	CCN(Cc1c(F)cccc1F)C(=O)c1c[nH]cc1C
136229151	ZINC000292810016	ref	6.37	-5.21	0	225.238	3.145	1	1	4	C=CCC(F)(F)C(=O)Nc1cccc(C)c1
136229152	ZINC000292820271	ref	6.35	-10.56	0	236.319	1.595	1	4	5	C=CCC(C)(C)C(=O)N[C@H](C)c1nncn1C
178305806	ZINC000058584336	low	8.36	-47.45	1	245.326	1.943	1	3	2	Cc1cc2ncn(C[NH+]3CCOCC3)c2cc1C
214184374	ZINC000337622228	ref	8.36	-8.69	0	283.375	3.461	2	2	5	O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1ccn[nH]1
214184375	ZINC000337622945	ref	4.61	-14.56	0	260.341	2.061	3	2	5	CC(C)CNC(=O)NCCc1c[nH]c2ncccc12
214184377	ZINC000337621377	ref	8.4	-12.69	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@H]2CC[C@@H](C)C2)n1
214184378	ZINC000337622860	ref	1.94	-14.27	0	288.369	0.076	1	6	8	Cc1csc(=O)n1CCC(=O)N(C)CCOCCO
187169305	ZINC000125098947	mid	3.88	-16.22	0	289.379	1.015	2	3	4	C[C@H](CC(=O)N1CCNC[C@H]1C)NC(=O)c1ccccc1
187169306	ZINC000125099911	ref	6.32	-6.46	0	272.736	1.417	1	6	5	CNc1c(Cl)ncnc1N(C)C[C@H](C)C(=O)OC
187169307	ZINC000125099057	ref	2.56	-10.18	0	296.367	2.224	2	4	5	COC[C@@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccco1
187169308	ZINC000125095171	ref	7.6	-10.95	0	295.382	2.879	1	2	4	O=C(Cc1ccc(-c2ccccc2)cc1)N1CCC[C@H]1CO
342595192	ZINC000590775384	ref	5.86	-11.57	0	285.384	1.776	2	4	6	CCC[C@@H](O)CC(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
342595193	ZINC000590774433	ref	6.84	-10.96	0	297.395	1.851	0	4	4	COC[C@]1(C)CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)OC)C1
365633368	ZINC000479864029	mid	6.85	-40.38	1	254.374	1.544	2	2	4	C[C@H]1CCCC[N@@H+]1[C@H](C)CNC(=O)[C@@H]1CCCO1
187169309	ZINC000125091559	ref	8.79	-8.32	0	281.45	3.496	0	5	4	CSC[C@@H](C)N(C)c1nc(C)nc2scc(C)c12
306234642	ZINC000557904703	ref	7.8	-22.36	0	343.431	1.55	0	6	5	Cc1ccnc(N2CCN(C(=O)CO[C@@H](C)c3nccn3C)CC2)c1
306234643	ZINC000557904703	mid	8.09	-52.07	1	343.431	1.55	0	5	5	Cc1cc[nH+]c(N2CCN(C(=O)CO[C@@H](C)c3nccn3C)CC2)c1
365633375	ZINC000479864029	high	4.13	-9.23	0	254.374	1.544	1	3	4	C[C@H]1CCCCN1[C@H](C)CNC(=O)[C@@H]1CCCO1
342595194	ZINC000590775380	ref	4.53	-6.67	0	270.354	1.849	1	5	5	CC(C)OC(=O)[C@@H](NC(=O)c1nccs1)C(C)C
187169310	ZINC000125097254	ref	6.4	-10.48	0	290.407	3.012	2	2	3	C[C@H]1CCN(C(=O)NCCc2cccc(O)c2)C[C@H](C)C1
187169311	ZINC000125097908	ref	6.05	-42.89	1	284.407	2.267	1	3	6	CCn1nccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1
187169312	ZINC000125097908	mid	7.65	-42.77	1	284.407	2.267	2	3	6	CCn1nccc1CN[C@H]1CC[N@H+](Cc2ccccc2)C1
187169313	ZINC000125097908	mid	7.69	-42.59	1	284.407	2.267	2	3	6	CCn1nccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C1
197592165	ZINC000162791275	ref	3.38	-9.54	0	304.575	2.188	2	3	3	O=C1CC[C@H](CNc2ncc(Cl)cc2Br)N1
187169314	ZINC000125097908	high	4.82	-5.32	0	284.407	2.267	1	4	6	CCn1nccc1CN[C@H]1CCN(Cc2ccccc2)C1
342595195	ZINC000590775425	ref	5.37	-9.5	0	296.371	1.394	1	6	7	CCCn1cc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)nn1
214184371	ZINC000293564806	mid	4.24	-35.84	1	356.386	0.741	2	6	6	COCCn1cc(CNC(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)cn1
342595196	ZINC000590774103	ref	5.27	-16.12	0	291.347	1.387	1	4	3	COC(=O)Cc1cccc(C(=O)N2CCC[C@H](O)[C@@H]2C)c1
197592154	ZINC000290091315	ref	0.4	-25.38	0	271.338	0.269	2	4	5	C[C@@H](NC(=O)CS(C)(=O)=O)[C@H](O)c1ccccc1
365633369	ZINC000172891982	ref	0.41	-11.68	0	279.296	1.177	0	7	5	COC[C@@H]1CN(Cc2nc(-c3ccco3)no2)CCO1
365633378	ZINC000172891055	ref	4.92	-42.29	1	281.352	1.421	0	5	7	COC[C@H]1CN(CCOc2ccc(OC)cc2)CCO1
365633386	ZINC000172891055	mid	4.53	-40.65	1	281.352	1.421	1	4	7	COC[C@H]1C[N@H+](CCOc2ccc(OC)cc2)CCO1
365633392	ZINC000172891055	mid	4.92	-42.29	1	281.352	1.421	1	4	7	COC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2)CCO1
365633400	ZINC000172888818	ref	3.02	-8.49	0	272.37	1.83	1	3	6	CC(C)OCc1ccc(NS(=O)(=O)N(C)C)cc1
349534601	ZINC000621230758	ref	3.75	-8.27	0	275.274	2.493	1	3	4	Cc1cnc(C(=O)NCC(C)(C)CC(F)(F)F)cn1
349534605	ZINC000621229991	ref	3.95	-15.16	0	276.258	2.496	2	2	4	CC(C)(CNC(=O)c1ccc[nH]c1=O)CC(F)(F)F
282122235	ZINC000248970250	mid	1.21	-10.64	0	312.454	1.231	3	3	6	C[C@H](O)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H](C)CO
365633409	ZINC000172890150	ref	6.6	-45.26	1	287.363	1.719	0	5	5	COC[C@H]1CN(Cc2cnn(-c3ccccc3)c2)CCO1
349534609	ZINC000621234600	ref	5.69	-12.59	0	271.401	2.201	1	3	8	CCC[C@@H](O)CC(=O)N1CC[C@@H](OCCC(C)C)C1
365633425	ZINC000172890150	low	7.04	-46.03	1	287.363	1.719	1	4	5	COC[C@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1
349534613	ZINC000621233948	ref	8.66	-11.55	0	279.384	2.18	0	4	6	CCn1cnc(C(=O)N2CC[C@@H](OCCC(C)C)C2)c1
365633429	ZINC000172890150	low	7.04	-46.03	1	287.363	1.719	1	4	5	COC[C@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1
365633436	ZINC000172890934	ref	5.31	-12.27	0	290.367	1.828	1	5	5	Cc1cc(CNC(=O)[C@@H](C)Cc2c(C)nn(C)c2C)on1
365633451	ZINC000172891986	ref	0.31	-12.12	0	279.296	1.177	0	7	5	COC[C@H]1CN(Cc2nc(-c3ccco3)no2)CCO1
282122236	ZINC000248970250	mid	1.21	-10.64	0	312.454	1.231	2	4	6	C[C@H](O)CN(CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H](C)CO
365633460	ZINC000172887977	ref	3.9	-13.61	0	256.367	1.722	1	3	5	Cc1ccc(CCS(=O)(=O)[C@H](C)[C@H](C)O)cc1
365633468	ZINC000172888353	ref	4.06	-9.76	0	290.363	1.405	2	3	6	CNC(=O)C1(C(=O)NC[C@@H](C)Oc2ccccc2C)CC1
398248509	ZINC000651461153	ref	7.9	-7.4	0	292.423	3.062	1	2	1	C[C@H]1CN(C(=O)NC2CC3(CCC3)C2)CC2(CCCC2)O1
178305808	ZINC000027655239	ref	7.96	-11.66	0	242.257	2.547	0	4	1	Cc1cc2nnc(C)n2nc1-c1ccc(F)cc1
323004470	ZINC000531119533	ref	2.92	-7.75	0	225.332	1.722	2	2	3	C[C@@H](C(=O)N[C@@H]1C=C[C@H](CO)C1)C(C)(C)C
398248510	ZINC000649442994	ref	4.55	-10.06	0	239.274	2.618	0	3	1	c1cc2c(cc1-c1cnc3c(c1)CCO3)CCO2
398248515	ZINC000649443014	ref	0.93	-43.88	1	219.284	1.048	3	2	3	OCc1ccc(C2=CC[NH2+]CC2)cc1CO
398248519	ZINC000649442956	ref	5.79	-48.14	1	229.279	2.028	1	2	1	O=C1CCOc2c1cccc2C1=CC[NH2+]CC1
342595197	ZINC000590774083	ref	4.52	-11.53	0	295.31	1.598	1	4	2	COC(=O)c1ccc(C(=O)N2CCC[C@H](O)[C@@H]2C)cc1F
342600496	ZINC000616999860	ref	7.22	-46.04	1	278.4	1.199	2	3	4	Cn1cncc1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
398248521	ZINC000649443003	ref	3.99	-44.44	1	204.273	1.605	1	2	3	COCc1cccc(C2=CC[NH2+]CC2)n1
398248524	ZINC000649442659	ref	7.98	-5.6	0	239.318	3.846	0	2	4	Cc1ccccc1-c1cccnc1OCC1CC1
342600497	ZINC000616999860	mid	7.22	-46.6	1	278.4	1.199	2	3	4	Cn1cncc1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365633370	ZINC000336550688	ref	5.82	-14.49	0	290.754	2.409	0	4	2	O=C(c1ccncc1Cl)N1CCC[C@H](n2cccn2)C1
398248527	ZINC000649442944	ref	2.8	-48.83	1	202.257	1.393	1	2	1	C1=C(c2cnc3c(c2)CCO3)CC[NH2+]C1
342600498	ZINC000616999860	low	7.73	-78.59	2	278.4	1.199	2	2	4	Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
398248531	ZINC000649442927	ref	7.76	-39.78	1	219.353	3.175	1	1	3	CCSc1ccccc1C1=CC[NH2+]CC1
398248533	ZINC000649443009	ref	5.5	-49.09	1	242.322	2.293	2	1	1	CC1(C)C(=O)Nc2ccc(C3=CC[NH2+]CC3)cc21
398248536	ZINC000649443016	ref	4.0	-48.14	1	244.294	1.783	2	2	1	C[C@H]1Oc2ccc(C3=CC[NH2+]CC3)cc2NC1=O
398248540	ZINC000649442962	ref	0.95	-52.04	1	238.312	0.711	2	2	2	NS(=O)(=O)c1ccc(C2=CC[NH2+]CC2)cc1
398248543	ZINC000649442682	ref	4.59	-7.97	0	221.304	1.728	0	4	3	CCO[C@@H]1CCN(c2cccnn2)C[C@H]1C
342600499	ZINC000616999860	low	7.73	-78.81	2	278.4	1.199	2	2	4	Cn1c[nH+]cc1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
282122240	ZINC000449153020	mid	6.95	-113.35	2	254.418	2.265	2	1	6	CC[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC1
282122244	ZINC000449152474	ref	6.13	-40.47	1	260.381	2.499	1	1	3	Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](C(C)C)C1
214184373	ZINC000293563997	ref	1.85	-21.0	0	367.431	0.369	2	7	9	O=C(NCCS(=O)(=O)NCC1CCC1)c1cc(Cn2cccn2)on1
398248545	ZINC000649442946	ref	7.59	-45.9	1	227.307	2.121	1	1	1	O=C1CCc2cc(C3=CC[NH2+]CC3)ccc2C1
398248548	ZINC000649442998	ref	4.06	-43.2	1	203.285	1.864	2	1	2	Cc1cc(C2=CC[NH2+]CC2)ccc1CO
398248551	ZINC000649442947	ref	6.56	-44.4	1	215.296	2.387	1	1	1	C[C@H]1Cc2cc(C3=CC[NH2+]CC3)ccc2O1
214184376	ZINC000293568084	ref	8.65	-14.33	0	355.398	0.785	1	6	2	Cn1cnc(NC(=O)C(=O)N2C[C@H](c3ccccc3)[C@H]3COCC[C@@H]32)n1
282122241	ZINC000248970320	ref	3.65	-18.13	0	323.414	1.836	1	4	2	C[C@@H]1OCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)c2ccccc21
343993809	ZINC000599268174	low	8.18	-103.25	2	282.428	1.894	2	2	4	CC(C)C[C@H](C(=O)OC(C)(C)C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
342078396	ZINC000608849091	ref	8.36	-10.24	0	285.384	1.848	0	4	8	COC(=O)[C@@H](C)CN(C(=O)[C@@H](C)OCC(C)C)C1CC1
214184379	ZINC000293566377	ref	3.82	-9.32	0	362.386	0.219	2	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2
342078397	ZINC000600311874	ref	7.93	-39.33	1	298.427	1.814	2	3	6	CCOC(=O)C(C)(C)CC(=O)NC[C@@H]1CCCC[N@H+](C)C1
214184382	ZINC000293556358	ref	3.01	-15.28	0	358.442	0.368	2	4	6	O=C1CN(CCCNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)CCN1
342078398	ZINC000600311874	mid	8.11	-39.54	1	298.427	1.814	2	3	6	CCOC(=O)C(C)(C)CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342078399	ZINC000625292207	ref	2.84	-11.02	0	257.359	1.195	1	4	3	Cc1ncc(S(=O)(=O)NC2CC(C)(C)C2)n1C
214184383	ZINC000293556358	low	5.58	-52.74	1	358.442	0.368	3	3	6	O=C1C[N@H+](CCCNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)CCN1
323004471	ZINC000561593846	ref	6.19	-5.44	0	241.331	1.882	1	3	6	CCOC(=O)C(C)(C)CC(=O)NCC1CCC1
214184384	ZINC000293556358	low	5.58	-52.26	1	358.442	0.368	3	3	6	O=C1C[N@@H+](CCCNC(=O)[C@H]2CCCN(c3ccccc3)C2=O)CCN1
214184387	ZINC000293568154	ref	4.84	-9.09	0	371.191	0.656	1	6	2	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC=C(Br)C1
214184389	ZINC000293565133	ref	3.89	-51.34	1	354.426	0.747	3	4	8	CC[C@H](C)[C@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCCN1CCOCC1
342078400	ZINC000625292348	ref	2.2	-12.02	0	297.298	1.538	1	3	7	Cc1ccc(S(=O)(=O)NCCOCCF)c(F)c1F
178305811	ZINC000096032994	ref	6.02	-10.48	0	202.261	1.867	1	3	1	Cc1cc2ncnc(N3CCCC3)c2[nH]1
343993813	ZINC000599269839	ref	5.25	-44.74	1	252.358	1.542	2	3	6	CCOC1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1
214184391	ZINC000293565133	low	3.89	-51.34	1	354.426	0.747	4	3	8	CC[C@H](C)[C@H](NC(=O)c1cc(F)c[nH]1)C(=O)NCC[NH+]1CCOCC1
214184393	ZINC000293564891	ref	-0.54	-15.25	0	354.428	0.696	3	5	4	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1cccc(S(C)(=O)=O)c1
230236215	ZINC000336649366	ref	-3.42	-11.63	0	254.352	-1.181	1	5	9	COCCN(CCO)CCS(=O)(=O)N(C)C
230236224	ZINC000336649366	mid	-1.17	-42.47	1	254.352	-1.181	2	4	9	COCC[N@H+](CCO)CCS(=O)(=O)N(C)C
230236229	ZINC000336649366	mid	-1.19	-42.86	1	254.352	-1.181	2	4	9	COCC[N@@H+](CCO)CCS(=O)(=O)N(C)C
136229153	ZINC000097441641	ref	2.51	-9.13	0	238.331	1.595	2	3	5	C[C@@H](CCO)CNC(=O)C1(C#N)CCCCC1
178300902	ZINC000095950027	ref	5.67	-5.03	0	242.141	3.676	0	2	0	Cc1cc2nc(Br)sc2cc1C
178300906	ZINC000336538974	ref	5.73	-12.37	0	241.294	2.92	2	2	2	Cc1cc2n[nH]cc2cc1NC(=O)C1=CCCC1
365633379	ZINC000336550051	ref	4.5	-12.61	0	263.337	2.118	1	3	3	COC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2O)C1
185087825	ZINC000096073864	ref	1.92	-18.0	0	291.351	0.636	2	5	3	O=C(CO)N1CCC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1
178300912	ZINC000336538974	mid	5.63	-10.57	0	241.294	2.92	2	2	2	Cc1cc2[nH]ncc2cc1NC(=O)C1=CCCC1
365633384	ZINC000336550051	high	5.39	-61.06	-1	263.337	2.118	0	3	3	COC[C@H]1CCN(C(=O)c2ccc(C)c(C)c2[O-])C1
398248513	ZINC000651460827	ref	8.14	-38.99	1	259.393	3.326	1	1	4	CCC1(C[NH2+][C@@H]2c3ccccc3CC[C@H]2C)COC1
342595198	ZINC000590776276	ref	2.0	-12.12	0	258.277	1.337	2	4	3	C=C[C@@H]1OCC[C@H]1NC(=O)c1cc(O)cc(C#N)c1
197592172	ZINC000162789411	ref	9.51	-46.66	1	322.399	2.916	2	1	5	C[NH+]1CCC(CCNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1
342595199	ZINC000590776276	mid	2.76	-35.23	-1	258.277	1.337	1	4	3	C=C[C@@H]1OCC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1
342595200	ZINC000590775645	ref	7.41	-11.1	0	297.351	1.034	1	5	4	COC(=O)[C@H]1C[C@@H]1C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
342595201	ZINC000590776027	ref	3.08	-21.8	0	279.361	1.497	1	3	4	C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc([S@@](C)=O)cc1
342595202	ZINC000590776265	ref	3.06	-14.43	0	279.361	1.497	1	3	4	C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc([S@](C)=O)c1
342595203	ZINC000590776250	ref	5.55	-12.39	0	272.348	1.72	1	3	4	CC[C@@H]1[C@@H](CO)CCN1C(=O)Cc1cccc(C#N)c1
168366011	ZINC000074308573	ref	4.34	-45.28	1	175.235	1.224	1	2	2	C[C@@H]([NH3+])Cc1cnc2ccccn12
133428354	ZINC000306488466	ref	4.93	-7.34	0	199.319	1.963	1	2	3	C=C[C@H](C)NC(=O)[C@@H]1CCCCS1
214184394	ZINC000337621012	ref	6.84	-9.26	0	264.306	3.247	0	5	4	Cc1nc(COc2ccc([N+](=O)[O-])cc2)c(C)s1
214184396	ZINC000337624147	ref	0.55	-17.21	0	293.385	-0.331	1	5	9	CN(CCOCCO)C(=O)CC1(CS(C)(=O)=O)CC1
214184397	ZINC000337621756	ref	5.51	-19.12	0	289.335	0.953	1	5	7	CN(CCOCCO)C(=O)c1cccc(-n2ccnc2)c1
214184399	ZINC000337621756	low	6.02	-44.93	1	289.335	0.953	1	4	7	CN(CCOCCO)C(=O)c1cccc(-n2cc[nH+]c2)c1
214184401	ZINC000337621658	ref	-1.06	-15.69	0	289.376	-0.641	2	5	9	CN(CCOCCO)C(=O)NCCCN1CCOCC1
214184403	ZINC000337621658	mid	1.34	-49.89	1	289.376	-0.641	3	4	9	CN(CCOCCO)C(=O)NCCC[NH+]1CCOCC1
365633381	ZINC000576587768	ref	3.17	-8.7	0	227.304	1.097	1	3	7	CCO[C@H]1C[C@@H]1NC(=O)CC1(COC)CC1
343993812	ZINC000079916389	ref	7.85	-13.99	0	292.427	2.251	0	5	6	C[C@H]1CCCC[C@H]1OCCN(C)Cc1nnc2n1CCC2
178300904	ZINC000237168345	ref	5.35	-50.97	1	362.405	1.818	1	5	7	COCC[NH2+]CC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1
365633389	ZINC000576588800	ref	6.21	-46.94	-1	249.314	1.899	0	5	3	CC(C)c1nccnc1N1CC[C@H](C(=O)[O-])[C@@H]1C
365633395	ZINC000576587921	ref	3.33	-6.36	0	238.331	2.71	1	3	3	CCc1nc(C(=O)N[C@H](C)C(C)(C)C)c(C)o1
365633403	ZINC000576588832	ref	2.68	-11.17	0	248.286	1.405	2	4	3	COc1cncc(NC(=O)N[C@H]2[C@H]3CCC[C@H]32)n1
178300907	ZINC000237168345	high	4.0	-14.56	0	362.405	1.818	1	6	7	COCCNCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1
365633414	ZINC000576589415	ref	3.17	-36.54	1	227.348	1.72	2	2	7	CCC[C@H](C)[C@@H](CO)[NH2+]CC1=CCCOC1
365633421	ZINC000576595033	ref	-0.55	-17.32	0	249.332	-0.159	2	4	4	CC[C@](C)(O)CNC(=O)[C@H]1CCCS1(=O)=O
365633432	ZINC000576588093	ref	7.57	-8.21	0	221.344	3.132	0	1	1	CC1=C(C)C[C@@H](C(=O)N2[C@@H](C)C[C@H]2C)CC1
365633440	ZINC000576588083	ref	7.49	-8.33	0	221.344	3.132	0	1	1	CC1=C(C)C[C@H](C(=O)N2[C@@H](C)C[C@H]2C)CC1
178300910	ZINC000237162771	ref	7.21	-96.73	2	372.557	1.698	3	2	7	CN(C)CC[NH+]1CCC(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1
178300913	ZINC000237162771	mid	7.3	-87.7	2	372.557	1.698	3	2	7	C[NH+](C)CCN1CCC(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1
365633446	ZINC000576588799	ref	6.22	-46.47	-1	249.314	1.899	0	5	3	CC(C)c1nccnc1N1CC[C@@H](C(=O)[O-])[C@H]1C
178300915	ZINC000237174783	ref	6.06	-62.89	1	355.438	1.512	2	3	8	CN(C)C(=O)COc1cccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)c1
178300917	ZINC000237174783	high	5.55	-17.53	0	355.438	1.512	2	4	8	CN(C)C(=O)COc1cccc(CNC(=O)[C@H](CN)c2ccccc2)c1
365633453	ZINC000576588161	ref	5.86	-6.47	0	217.378	2.682	1	2	6	CNC(=O)CCSCCCC(C)(C)C
178300920	ZINC000237157451	ref	3.13	-48.37	1	363.842	1.81	2	3	5	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)c(NC(C)=O)cc1F
365633459	ZINC000576588314	ref	5.41	-8.68	0	229.364	2.431	1	2	3	CN(C(=O)C[C@@H](O)CC(C)(C)C)C(C)(C)C
365633466	ZINC000576589414	ref	3.18	-36.24	1	227.348	1.72	2	2	7	CCC[C@@H](C)[C@@H](CO)[NH2+]CC1=CCCOC1
365633473	ZINC000576587157	ref	1.03	-10.28	0	225.292	0.65	2	4	5	CCn1ccc(C(=O)NC[C@@H](O)C(C)C)n1
365633477	ZINC000576589863	ref	7.88	-29.43	0	227.329	2.606	1	3	6	CCC[N@H+](CC)[C@H](C(=O)[O-])c1ccsc1
365633482	ZINC000576589863	mid	7.86	-28.38	0	227.329	2.606	1	3	6	CCC[N@@H+](CC)[C@H](C(=O)[O-])c1ccsc1
185087828	ZINC000096073250	ref	8.36	-33.27	1	263.381	3.307	1	2	3	CC(C)[C@H]1COC2(CC[NH+](Cc3ccoc3)CC2)C1
185087831	ZINC000096073250	high	6.12	-3.65	0	263.381	3.307	0	3	3	CC(C)[C@H]1COC2(CCN(Cc3ccoc3)CC2)C1
343993814	ZINC000605434601	ref	2.87	-48.87	-1	232.214	2.179	2	3	2	O=C(Nc1c(O)cccc1F)c1cccnc1
349534608	ZINC000621493369	ref	7.77	-9.79	0	288.382	3.499	1	1	4	CC(C)(C)C[C@H]1CCN(C(=O)NCC[C@H]2CC2(F)F)C1
282122243	ZINC000248969136	ref	6.75	-10.26	0	310.438	1.812	1	4	4	COC(=O)[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C
349534612	ZINC000621493589	ref	9.09	-11.25	0	296.361	3.49	1	1	5	Cc1ccc(CN(C)C(=O)NCC[C@@H]2CC2(F)F)cc1C
349534616	ZINC000621493288	ref	3.84	-15.79	0	298.346	3.333	2	4	5	CCC1(NC(=O)Nc2ccc(Oc3cccnn3)cc2)CC1
365633383	ZINC000641596440	ref	5.24	-10.24	0	279.286	1.661	1	2	2	O=C([C@@H]1C[C@@H]1c1cc(F)ccc1F)N1C[C@@H]2C[C@]2(O)C1
342078401	ZINC000625292348	high	2.09	-50.42	-1	297.298	1.538	0	3	7	Cc1ccc(S(=O)(=O)[N-]CCOCCF)c(F)c1F
342078402	ZINC000608849441	ref	8.12	-9.3	0	273.398	1.928	0	4	7	COC(=O)[C@H](C)CN(C(=O)CSC(C)C)C1CC1
197592188	ZINC000290094138	ref	4.91	-10.12	0	299.252	2.726	1	4	3	Cc1onc(-c2ccccn2)c1C(=O)N[C@@H](C)C(F)(F)F
282122249	ZINC000248969136	mid	8.49	-41.19	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C
282122252	ZINC000248969136	mid	8.93	-45.48	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@H]1C
342078403	ZINC000608846671	ref	3.44	-16.53	0	295.295	1.457	2	5	5	COc1ccc([N+](=O)[O-])cc1NC(=O)C(C)(C)NC(C)=O
342088348	ZINC000121445008	ref	8.06	-26.43	0	298.346	1.418	1	5	6	C[C@H](Oc1ccccc1C#N)C(=O)NCCc1cncn1C
342088349	ZINC000121445008	low	8.58	-50.65	1	298.346	1.418	1	4	6	C[C@H](Oc1ccccc1C#N)C(=O)NCCc1c[nH+]cn1C
342088350	ZINC000121310263	ref	2.51	-48.48	1	293.367	1.463	2	3	6	CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H]([NH3+])CC
342088351	ZINC000121310263	high	2.19	-17.2	0	293.367	1.463	2	4	6	CCOc1ccc(C(=O)N(C)C)cc1NC(=O)[C@H](N)CC
342088352	ZINC000121396300	ref	7.38	-16.7	0	267.373	1.53	1	4	8	CC(C)CCO[C@@H](C)C(=O)NCCc1cncn1C
342088353	ZINC000121396300	low	7.89	-41.24	1	267.373	1.53	1	3	8	CC(C)CCO[C@@H](C)C(=O)NCCc1c[nH+]cn1C
342088354	ZINC000621363301	ref	0.84	-9.51	0	283.397	1.552	2	5	4	CC(=O)Nc1nc(CN2CC[C@@H](C)[C@@H](CO)C2)cs1
342088355	ZINC000621363301	low	3.13	-35.58	1	283.397	1.552	3	4	4	CC(=O)Nc1nc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cs1
342078404	ZINC000625294275	ref	4.03	-7.93	0	294.395	1.999	1	4	6	C[C@H](NC(=O)C[C@@H](C)c1ccco1)[C@@H](C)N1CCOCC1
342078405	ZINC000625294275	mid	5.93	-41.02	1	294.395	1.999	2	3	6	C[C@H](NC(=O)C[C@@H](C)c1ccco1)[C@@H](C)[NH+]1CCOCC1
342078406	ZINC000600311693	ref	5.97	-51.31	1	293.367	1.263	3	3	4	COC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c[nH]1
342078407	ZINC000600311693	mid	5.87	-52.28	1	293.367	1.263	3	3	4	COC(=O)c1cc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c[nH]1
214184395	ZINC000293562705	ref	-0.68	-17.68	0	356.4	0.037	2	6	8	NC(=O)CNC(=O)c1cccc(OS(=O)(=O)CC[C@H]2CCOC2)c1
342078408	ZINC000625294000	ref	5.41	-10.2	0	273.398	1.616	0	3	6	CCO[C@@H](CS(=O)(=O)N1CC2CC1(C)C2)C1CC1
214184400	ZINC000293565725	ref	1.64	-55.3	1	355.385	0.693	2	5	6	O=C1C[C@@H](NCc2c(F)ccc(O)c2F)CN1CCN1CCOCC1
214184402	ZINC000293565725	low	1.21	-44.51	-1	355.385	0.693	2	4	6	O=C1C[C@@H]([NH2+]Cc2c(F)ccc(O)c2F)CN1CCN1CCOCC1
365633391	ZINC000641600196	ref	4.44	-15.96	0	276.34	1.627	2	5	6	CCOCC(C)(C)CNc1ccc2nc[nH]c(=O)c2n1
342078409	ZINC000608847734	ref	3.19	-14.24	0	275.308	1.42	2	4	4	COc1ccc(C#N)cc1NC(=O)C(C)(C)NC(C)=O
342078410	ZINC000608846797	ref	4.75	-14.62	0	273.336	1.65	2	3	4	CC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccc(C#N)cc1
342078411	ZINC000608847998	ref	8.3	-20.65	0	256.309	1.557	0	4	4	CCN(CC#N)C(=O)Cc1cn2cccc(C)c2n1
282122245	ZINC000449152474	mid	5.8	-7.55	0	260.381	2.499	1	2	3	Cc1ccccc1[C@@H](N)C(=O)N1CC[C@@H](C(C)C)C1
185087842	ZINC000096074574	ref	2.22	-46.87	1	260.297	0.837	2	4	2	Cc1ncccc1NC(=O)C1=NO[C@]2(CC[NH2+]C2)C1
185087844	ZINC000096072431	ref	3.85	-13.42	0	296.392	1.748	0	5	3	CC(=O)N1CC[C@]2(C[C@H](OCc3csc(C)n3)CO2)C1
185087847	ZINC000096072309	ref	3.1	-16.6	0	291.351	0.582	1	5	4	CNC(=O)CO[C@@H]1CO[C@@]2(CCN(c3cccnc3)C2)C1
342078412	ZINC000608847998	low	8.59	-36.13	1	256.309	1.557	0	3	4	CCN(CC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1
342078413	ZINC000625293831	ref	7.55	-10.47	0	294.399	1.697	0	6	8	CCOCc1nnc(N(C)CC2(C)COC2)n1CC1CC1
185087849	ZINC000096072161	ref	7.77	-12.08	0	282.347	2.025	0	5	2	c1cnc(N2CC[C@]3(C[C@H](c4cccnc4)CO3)C2)nc1
342078414	ZINC000608846724	ref	4.15	-14.35	0	296.298	1.466	2	4	4	COC(=O)c1ccc(F)c(NC(=O)C(C)(C)NC(C)=O)c1
342078415	ZINC000625294158	ref	3.7	-39.4	1	279.38	1.63	3	3	8	COC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccccc1
398249515	ZINC000370236414	ref	7.08	-40.48	1	220.32	1.81	1	3	3	Cc1nnc2n1CCC[C@@H]2[NH2+][C@H](C)C1CC1
214184404	ZINC000337621289	ref	5.52	-11.69	0	271.401	2.06	1	3	9	CCN(CCOCCO)C(=O)[C@@H](C)CC1CCCC1
365633393	ZINC000336550543	ref	5.39	-14.04	0	295.333	2.158	1	2	2	O=C(N[C@@H]1CCCN(c2ccccc2F)C1)N1CC(F)C1
214184406	ZINC000337621083	ref	5.52	-9.13	0	290.26	3.123	2	1	4	C[C@H](NC(=O)NC1(C(F)F)CC1)c1ccc(F)cc1F
349534614	ZINC000618812796	ref	6.77	-11.61	0	276.315	1.545	0	4	5	CN(Cc1cn(C)nn1)C(=O)CCc1ccccc1F
398248518	ZINC000651460085	ref	7.83	-7.47	0	288.366	3.256	2	1	3	O=C(NC1CC2(CCC2)C1)N[C@@H]1C[C@@]1(F)c1ccccc1
214184408	ZINC000337620623	ref	5.68	-28.27	0	295.306	0.385	2	6	5	N#Cc1ncn(CC(=O)NCCc2c[nH]c3ncccc23)n1
178300916	ZINC000012803932	ref	4.61	-6.19	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@H](C)C[C@H](C(F)(F)F)N2
178300919	ZINC000012803926	ref	4.61	-6.19	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@@H](C)C[C@@H](C(F)(F)F)N2
214184411	ZINC000337623713	ref	6.18	-12.25	0	268.401	2.186	1	2	3	CC(C)C(=O)N[C@@H]1CCCN(C(=O)CC(C)(C)C)C1
178300927	ZINC000011363900	ref	5.16	-15.35	0	239.278	2.535	2	2	1	Cc1cc2nc(-c3ccc(=O)[nH]c3)[nH]c2cc1C
214184413	ZINC000337622537	ref	7.92	-6.39	0	266.772	3.391	1	2	3	CN(C)c1ccc(Cl)cc1NC(=O)[C@H]1CC1(C)C
214184415	ZINC000337621522	ref	3.81	-17.98	0	281.356	0.572	1	3	2	O=C(N[C@@H]1CCOC1)N1CCC(N2CCCC2=O)CC1
214184416	ZINC000337622695	ref	5.85	-12.11	0	273.38	3.056	3	1	6	CC(C)CCNC(=O)NCCc1cccc2[nH]ccc12
214184418	ZINC000337622344	ref	9.2	-13.49	0	277.372	2.256	1	4	2	Cc1cc(N(C)C)nc(NC(=O)N2[C@@H](C)CC[C@H]2C)n1
214184420	ZINC000337620897	ref	0.74	-10.76	0	259.327	0.64	2	5	8	COCC[C@@H](CO)NC(=O)COc1ccsc1
214184421	ZINC000337624157	ref	5.43	-14.55	0	274.368	2.449	3	2	5	CC(C)[C@H](C)NC(=O)NCCc1c[nH]c2ncccc12
214184422	ZINC000337623539	ref	9.45	-18.05	0	281.355	3.318	0	2	4	CCN(C)C(=O)c1ccccc1C(=O)c1ccc(C)cc1
214184423	ZINC000337621802	ref	5.92	-15.14	0	293.33	2.405	1	5	4	C[C@H](C(=O)Nc1cnccc1-n1cccn1)c1cccnc1
214184424	ZINC000337621802	mid	6.36	-39.85	1	293.33	2.405	1	4	4	C[C@H](C(=O)Nc1c[nH+]ccc1-n1cccn1)c1cccnc1
214184425	ZINC000337622834	ref	5.07	-15.58	0	299.305	3.242	1	4	4	Cc1noc2ncc(NC(=O)CCc3ccc(F)cc3)cc12
214184426	ZINC000337622921	ref	4.49	-13.76	0	295.343	0.388	2	6	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@H]2COCCO2)n1
214184427	ZINC000337620377	ref	2.96	-43.75	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12
342595204	ZINC000590775899	ref	4.48	-13.35	0	273.373	1.443	1	4	7	COC(=O)CC(C)(C)CC(=O)N(C)CC(C)(C)CO
349534615	ZINC000621233447	ref	3.67	-13.4	0	271.401	2.059	1	3	7	CC[C@](C)(CO)C(=O)N1CC[C@@H](OCCC(C)C)C1
187169315	ZINC000125100296	ref	4.63	-41.13	1	279.277	3.095	2	1	5	CC[C@@](C)(CO)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
187169316	ZINC000125100296	high	3.41	-3.5	0	279.277	3.095	2	2	5	CC[C@@](C)(CO)NCc1cc(F)cc(C(F)(F)F)c1
342595205	ZINC000590776292	ref	8.56	-14.16	0	281.356	1.009	0	5	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)Cc1cncn1C
187169317	ZINC000125092005	ref	7.2	-58.49	1	250.302	1.737	1	4	6	O=[N+]([O-])c1cnn(CC[NH2+]C[C@@H]2CC=CCC2)c1
187169318	ZINC000125101067	ref	2.69	-16.07	0	253.682	1.803	0	4	5	O=S(=O)(CCCF)Oc1ccc(Cl)nc1
306234644	ZINC000557915840	ref	7.09	-23.95	0	339.395	1.908	1	4	6	C[C@H]1C[C@@H](NC(=O)COCc2cccnc2)C(=O)N1c1ccccc1
187169319	ZINC000125101097	ref	5.47	-40.44	1	286.778	2.289	1	2	5	C[C@@H](CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1F
197592187	ZINC000162791113	ref	10.3	-34.1	0	317.305	1.54	1	7	5	O=C(COc1cccc([N+](=O)[O-])c1)Nc1nnc2n1CCCC2
342595206	ZINC000590776292	low	9.06	-36.24	1	281.356	1.009	0	4	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)Cc1c[nH+]cn1C
342595207	ZINC000590775691	ref	7.57	-16.64	0	278.352	1.918	1	4	4	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CC1(C#N)CC1
199273006	ZINC000181260277	ref	5.9	-38.23	1	309.406	2.727	1	4	9	COCOc1ccc(OC)cc1C[NH2+]CC[C@@H]1CCCCO1
187169320	ZINC000125101097	high	4.35	-5.33	0	286.778	2.289	1	3	5	C[C@@H](CN1CCOCC1)NCc1cccc(Cl)c1F
342595208	ZINC000590775769	ref	4.79	-8.76	0	285.347	1.48	2	4	6	N#Cc1cccc(C(=O)N[C@H](C2CC2)[C@H](CO)C2CC2)n1
342595209	ZINC000590775775	ref	5.31	-16.67	0	262.353	1.594	2	3	7	N#CC1(CC(=O)N[C@H](C2CC2)[C@@H](CO)C2CC2)CC1
342595210	ZINC000590776123	ref	7.63	-14.46	0	295.383	1.57	0	5	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)c1cnn(C)c1
342595211	ZINC000590775680	ref	6.05	-14.06	0	279.34	1.272	1	5	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccn(C)n1
342595212	ZINC000590775912	ref	1.75	-11.76	0	274.32	1.497	2	4	3	CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc(O)cc(C#N)c1
199273008	ZINC000181260277	high	4.53	-5.6	0	309.406	2.727	1	5	9	COCOc1ccc(OC)cc1CNCC[C@@H]1CCCCO1
214184405	ZINC000293565725	high	1.21	-44.51	-1	355.385	0.693	1	5	6	O=C1C[C@@H](NCc2c(F)ccc([O-])c2F)CN1CCN1CCOCC1
187169321	ZINC000125098796	ref	5.96	-7.15	0	262.378	2.993	1	3	4	O=C(NCc1nc(C2CC2)cs1)[C@@H]1CC=CCC1
398248522	ZINC000651459970	ref	7.61	-7.41	0	250.386	3.005	1	1	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)[C@@H](C)[C@@H]1C
136229154	ZINC000292815537	ref	5.75	-10.67	0	228.361	1.957	1	2	4	C=CCNC(=O)N1CCC[C@@H](CSC)C1
398248525	ZINC000651460513	ref	7.58	-36.36	1	284.403	3.405	2	1	6	CC[C@@H]([NH2+][C@@H](C)CC(=O)NC)c1cccc2ccccc12
398248529	ZINC000651459996	ref	6.83	-6.51	0	262.397	3.341	2	1	3	O=C(NC1CC2(CCC2)C1)NC1(C2CCC2)CCC1
190493516	ZINC000269429424	ref	3.57	-11.77	0	251.33	1.451	1	4	4	CCC(CC)n1ccc(C(=O)N2CC[C@@H](O)C2)n1
398248532	ZINC000651459605	ref	8.17	-10.29	0	284.35	3.006	1	1	1	C[C@@]12CCN(C(=O)NC3CC4(CCC4)C3)C[C@@H]1C2(F)F
178300921	ZINC000237171172	ref	3.46	-61.56	1	361.467	1.504	2	3	7	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)c2ccc(C[NH3+])cc2)cc1
178300925	ZINC000237170720	ref	4.96	-48.44	1	365.499	1.121	2	3	6	Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CC23CC[NH2+]CC3)cc1
398248535	ZINC000651459288	ref	8.45	-6.95	0	262.397	3.295	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC2(CCC2)CC1
398248537	ZINC000651461025	ref	8.11	-7.92	0	262.397	3.293	1	1	1	O=C(NC1CC2(CCC2)C1)N1CC[C@@H]2CCCC[C@@H]21
398248539	ZINC000651459400	ref	8.82	-6.79	0	262.397	3.151	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H](C2CC2)C1
398248544	ZINC000651459150	ref	8.61	-8.84	0	264.413	3.395	1	1	2	CC(C)[C@H]1N(C(=O)NC2CC3(CCC3)C2)CC1(C)C
398248547	ZINC000651460086	ref	8.0	-9.41	0	288.366	3.256	2	1	3	O=C(NC1CC2(CCC2)C1)N[C@H]1C[C@@]1(F)c1ccccc1
398248550	ZINC000651460218	ref	9.27	-9.13	0	274.408	3.149	1	1	3	O=C(NC1CC2(CCC2)C1)N1C[C@@H](C2CC2)[C@H]1C1CC1
136229155	ZINC000232465729	ref	5.35	-37.06	1	236.384	2.467	2	2	3	c1cc2c(s1)CCC[C@H]2NC[C@H]1CCC[NH2+]1
398248552	ZINC000651460137	ref	7.81	-7.23	0	294.439	3.307	1	2	3	CN(C(=O)NC1CC2(CCC2)C1)C1CC(OC(C)(C)C)C1
398248555	ZINC000651459846	ref	8.81	-8.87	0	262.397	3.149	1	1	2	CC1(C)CN(C(=O)NC2CC3(CCC3)C2)[C@@H]1C1CC1
136229156	ZINC000232465729	low	6.43	-123.84	2	236.384	2.467	2	1	3	c1cc2c(s1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1
398248558	ZINC000651460199	ref	7.32	-8.06	0	250.386	3.007	1	1	1	CC(C)(C)C1CN(C(=O)NC2CC3(CCC3)C2)C1
349534618	ZINC000618814081	ref	6.46	-19.1	0	264.373	1.99	0	4	4	C[C@@H]1CCCC[C@@H]1CC(=O)N(C)Cc1cn(C)nn1
178305813	ZINC000096032994	low	6.47	-26.0	1	202.261	1.867	1	2	1	Cc1cc2[nH+]cnc(N3CCCC3)c2[nH]1
230236209	ZINC000354870686	ref	2.23	-52.62	1	258.318	-0.489	2	5	6	COC(=O)C[C@@H]1C(=O)NCCN1CCC[C@H](C)O
398248560	ZINC000651460930	ref	7.16	-9.68	0	272.339	3.006	1	1	3	CC1(CC(F)F)CN(C(=O)NC2CC3(CCC3)C2)C1
214184407	ZINC000293559312	ref	6.51	-48.65	1	362.43	0.615	3	4	5	COC(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@@H+]3CC(=O)N(C)C)[nH]1
214184409	ZINC000293559312	mid	6.86	-51.19	1	362.43	0.615	3	4	5	COC(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)[N@H+]3CC(=O)N(C)C)[nH]1
214184410	ZINC000293559312	high	4.56	-16.01	0	362.43	0.615	2	5	5	COC(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)N3CC(=O)N(C)C)[nH]1
214184412	ZINC000293557088	ref	0.8	-12.73	0	358.276	0.1	3	4	5	O=C(NCCCN1C(=O)CNC1=O)C(=O)Nc1cc(F)cc(F)c1F
197592200	ZINC000290091325	ref	5.56	-6.8	0	289.331	2.32	1	4	3	Cc1ccc([C@@H](O)CN2C(=O)OC3(CCCC3)C2=O)cc1
342078416	ZINC000625294158	high	2.49	-5.65	0	279.38	1.63	3	4	8	COC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccccc1
214184417	ZINC000293558134	ref	3.97	-15.63	0	364.446	0.532	2	6	7	CCCNC(=O)CN1CCC(NC(=O)c2ccc(C(=O)OC)n2C)CC1
214184419	ZINC000293558134	mid	6.1	-51.26	1	364.446	0.532	3	5	7	CCCNC(=O)C[NH+]1CCC(NC(=O)c2ccc(C(=O)OC)n2C)CC1
398248554	ZINC000649442979	ref	6.96	-51.94	1	213.28	2.192	1	1	1	O=C1CCc2c1cccc2C1=CC[NH2+]CC1
214190422	ZINC000337635903	ref	6.67	-11.19	0	281.315	2.301	1	4	3	C[C@@H](Cc1ccncc1)n1c(=O)[nH]c2ccccc2c1=O
214190424	ZINC000337635051	ref	0.21	-17.72	0	293.314	0.957	3	3	6	CC(C)(CNC(=O)N[C@@H]1CCC[C@@H]1OC(F)F)C(N)=O
214190426	ZINC000337632962	ref	4.99	-20.61	0	258.26	0.883	1	5	2	Cn1cc2c(=NCc3ccc(F)cn3)ncnc-2[nH]1
214190430	ZINC000337632767	ref	1.11	-22.31	0	287.36	-0.04	2	4	7	COCCOCCNC(=O)N1CCC[C@@H](NC(C)=O)C1
214190436	ZINC000337636519	ref	3.53	-44.5	1	287.404	0.511	3	3	9	CCN(CCOCCO)C(=O)NCC1([NH+](C)C)CCC1
185087851	ZINC000096072206	ref	1.33	-5.42	0	254.355	1.523	0	5	3	CO[C@H]1CO[C@@]2(CCN(Cc3nccs3)C2)C1
214190438	ZINC000337636519	high	1.49	-12.54	0	287.404	0.511	2	4	9	CCN(CCOCCO)C(=O)NCC1(N(C)C)CCC1
214190442	ZINC000337632677	ref	5.19	-14.67	0	287.323	2.201	3	5	3	Cc1cc(N(C)C)nc(NC(=O)Nc2ccc(O)cc2)n1
214190446	ZINC000337635355	ref	5.16	-5.5	0	273.442	2.385	1	3	7	CSCC(C)(C)C(=O)N(CC1CCC1)[C@@H](C)CO
214190450	ZINC000337634204	ref	5.78	-17.29	0	290.363	2.177	1	4	6	CC(=O)CCCC(=O)N[C@@H]1CCCO[C@@H]1c1ccncc1
214190453	ZINC000337636735	ref	-2.23	-9.12	0	282.34	0.602	2	5	6	COc1cc(C(=O)N(C[C@H](C)O)[C@@H](C)CO)cc(C)n1
342078417	ZINC000608847414	ref	6.35	-10.95	0	265.313	1.064	0	5	6	CCc1ncncc1C(=O)N(CC)CCC(=O)OC
365633394	ZINC000625069833	ref	1.37	-17.16	0	303.337	2.321	1	4	4	NC(=O)[C@@H]1CCCCN1Cc1coc(-c2ccccc2F)n1
365633401	ZINC000625069833	low	3.59	-41.19	1	303.337	2.321	2	3	4	NC(=O)[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccccc2F)n1
365633405	ZINC000625069833	low	3.38	-41.79	1	303.337	2.321	2	3	4	NC(=O)[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccccc2F)n1
365633413	ZINC000625069118	ref	6.93	-11.36	0	318.425	2.185	1	6	5	CO[C@@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC[C@H]1C
343993816	ZINC000079916389	low	10.19	-42.29	1	292.427	2.251	1	4	6	C[C@H]1CCCC[C@H]1OCC[N@H+](C)Cc1nnc2n1CCC2
178300929	ZINC000237165131	ref	5.14	-59.26	1	359.451	1.559	1	3	3	C[NH2+]C1CCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)CC1
343993820	ZINC000079916389	low	10.24	-45.16	1	292.427	2.251	1	4	6	C[C@H]1CCCC[C@H]1OCC[N@@H+](C)Cc1nnc2n1CCC2
178300932	ZINC000237167815	ref	5.38	-44.31	1	365.518	1.69	2	3	7	COCCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCCC1
343993824	ZINC000079911534	ref	4.75	-18.96	0	290.388	2.193	2	4	5	N#CCSc1cccc(C(=O)NC[C@H]2CCC[C@H]2O)c1
365633418	ZINC000625068450	ref	6.72	-41.78	1	308.397	2.143	1	3	5	Fc1ccc(N2CC[NH+](CCOC3CCOCC3)CC2)cc1
365633430	ZINC000625068450	mid	4.39	-5.48	0	308.397	2.143	0	4	5	Fc1ccc(N2CCN(CCOC3CCOCC3)CC2)cc1
365633435	ZINC000625068221	ref	6.66	-10.19	0	318.425	2.185	1	6	5	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCO[C@@H](C(C)C)C1
365633441	ZINC000625069874	ref	5.48	-21.84	0	322.364	2.477	2	3	2	O=C1NC[C@H](C(=O)Nc2ccc3c(c2)CCCO3)c2ccccc21
365633445	ZINC000625067196	ref	6.79	-11.93	0	305.374	2.45	1	4	6	CCO[C@@H](C(=O)N[C@H]1CCOc2c(OC)cccc21)C1CC1
365633450	ZINC000625070483	ref	6.92	-10.55	0	318.425	2.33	1	6	7	CCN(C[C@@H]1CCCO1)c1nnc(-c2cn[nH]c2)n1CC(C)C
365633456	ZINC000625069799	ref	7.24	-10.73	0	318.425	2.33	1	6	6	CCC[C@@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CCO1
365633461	ZINC000625069079	ref	6.99	-46.33	1	306.406	2.052	1	4	5	CN(CC(=O)NCC(C)(C)C)Cc1ccc2c(c1)OCCO2
365633472	ZINC000625069079	mid	7.0	-46.24	1	306.406	2.052	2	3	5	C[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc2c(c1)OCCO2
365633478	ZINC000625069079	mid	6.99	-46.33	1	306.406	2.052	2	3	5	C[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc2c(c1)OCCO2
365633483	ZINC000625069134	ref	7.31	-11.02	0	318.425	2.33	1	6	5	CC[C@@]1(C)CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CCO1
197592203	ZINC000162790344	ref	2.43	-51.49	1	324.446	1.264	2	3	7	C[C@H](C(=O)NCC1(CS(C)(=O)=O)CC1)[C@@H]([NH3+])c1ccccc1
197592205	ZINC000162790344	high	2.16	-21.14	0	324.446	1.264	2	4	7	C[C@H](C(=O)NCC1(CS(C)(=O)=O)CC1)[C@@H](N)c1ccccc1
187169322	ZINC000125102075	ref	4.25	-16.89	0	287.323	2.331	3	4	3	CC(=O)Nc1cc(NC(=O)Nc2ccnn2C)ccc1C
187169323	ZINC000125101126	ref	7.55	-37.64	1	294.37	2.066	1	2	4	CC[C@H](C(=O)N1CCO[C@@H](c2ccccc2F)C1)[NH+](C)C
365633399	ZINC000641596586	ref	3.89	-10.8	0	295.408	1.805	1	3	5	O=S(=O)(NC/C=C\c1cccnc1)N1CCCCCC1
214184428	ZINC000337620377	mid	2.96	-39.97	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12
187169324	ZINC000125101126	high	5.87	-11.29	0	294.37	2.066	0	3	4	CC[C@H](C(=O)N1CCO[C@@H](c2ccccc2F)C1)N(C)C
349534619	ZINC000093284128	ref	-0.19	-9.58	0	276.344	0.673	1	6	5	CCc1nc(CN2CCN(Cc3cc[nH]n3)CC2)no1
187169325	ZINC000125101762	ref	7.6	-13.89	0	265.303	3.127	1	1	3	CC1(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCC1
187169326	ZINC000125094667	ref	6.45	-53.53	1	277.261	2.971	1	1	4	Fc1cc(C[NH2+]C[C@H]2CCOC2)cc(C(F)(F)F)c1
187169327	ZINC000125098082	ref	1.09	-20.68	0	283.234	0.891	3	3	2	O=C1CC[C@H](NC(=O)Nc2c(F)cccc2F)C(=O)N1
187169328	ZINC000125091586	ref	5.02	-6.2	0	278.381	3.202	1	6	5	Cc1cnc([C@@H](C)Nc2cc(OC(C)C)ncn2)s1
342078418	ZINC000608848247	ref	9.39	-17.14	0	293.367	1.463	0	5	8	COC(=O)[C@@H](C)CN(C(=O)CCCn1ccnc1)C1CC1
342078419	ZINC000608848247	low	9.9	-41.11	1	293.367	1.463	0	4	8	COC(=O)[C@@H](C)CN(C(=O)CCCn1cc[nH+]c1)C1CC1
342078420	ZINC000625293376	ref	7.44	-11.09	0	280.372	1.238	0	6	6	CCOC[C@@H]1CN(c2nnc(C)n2CC2CC2)CCO1
342078421	ZINC000625295094	ref	7.84	-13.09	0	286.379	1.704	0	4	3	CN(c1cccnn1)C1CCN(C(=O)C23CC(C2)C3)CC1
342078422	ZINC000608847713	ref	8.67	-22.58	0	268.32	1.7	0	4	4	Cc1cccn2cc(CC(=O)N(CC#N)C3CC3)nc12
342078423	ZINC000608847713	low	8.95	-37.16	1	268.32	1.7	0	3	4	Cc1cccn2cc(CC(=O)N(CC#N)C3CC3)[nH+]c12
342078424	ZINC000031746695	ref	2.81	-14.43	0	298.408	1.791	2	3	8	CCCCCC(=O)NCc1cccc(S(=O)(=O)NC)c1
342078425	ZINC000625292927	ref	5.24	-13.33	0	294.317	1.95	1	2	4	CC(=O)N1CCC(CNC(=O)C[C@H](C)C(F)(F)F)CC1
342078426	ZINC000608847944	ref	7.37	-8.64	0	263.337	1.995	1	3	5	CC[C@](C)(NC(=O)Cc1cccc(C)c1)C(=O)OC
342078427	ZINC000617964360	ref	3.55	-11.31	0	296.333	1.847	2	3	7	CCO[C@@H]1C[C@@H](NC(=O)[C@@H](NCC(F)(F)F)C(C)C)C1
214184429	ZINC000337622640	ref	7.88	-10.68	0	285.391	2.197	1	3	5	O=C(c1ccc(NCC2CC2)nc1)N1CC[C@@H](C2CC2)C1
365633402	ZINC000336550737	ref	6.71	-7.17	0	271.426	2.405	0	3	3	CSC[C@@H](C)C(=O)N1CCCC2(CCOCC2)C1
190493518	ZINC000269428364	ref	3.28	-8.84	0	275.352	2.182	2	5	6	Cn1nccc1CNc1ccc(OCC(C)(C)O)cc1
190493519	ZINC000269428390	ref	2.19	-13.03	0	269.732	1.237	2	3	4	CNC(=O)C(C)(C)CNC(=O)c1ccc(Cl)cn1
365633411	ZINC000336550572	ref	4.36	-13.1	0	275.352	2.349	2	3	3	CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)nc1
342078428	ZINC000625293378	ref	6.07	-11.34	0	297.424	1.929	0	4	3	Cc1ncc(S(=O)(=O)N2CCC[C@@H](C3CCC3)C2)n1C
365633419	ZINC000336550118	ref	7.09	-44.79	1	298.39	2.289	3	2	3	C[C@H]1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1C
365633424	ZINC000336550118	mid	6.7	-45.37	1	298.39	2.289	3	2	3	C[C@H]1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@H+]1C
365633426	ZINC000336550118	high	4.78	-10.31	0	298.39	2.289	2	3	3	C[C@H]1C[C@@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CCN1C
365633431	ZINC000336550474	ref	6.55	-9.39	0	277.299	2.097	0	3	3	C[C@H]1C(=O)N([C@H](C)c2cncc(F)c2)C(=O)N1C1CC1
365633437	ZINC000336550629	ref	6.78	-7.95	0	275.327	2.245	1	3	3	CN(C)c1cc(C#N)cc(C(=O)N[C@@H]2CCC[C@@H]2F)c1
365633448	ZINC000336550234	ref	4.67	-7.96	0	284.4	2.012	1	3	2	CC(C)(C)[C@@H]1CN(C(=O)NC[C@@]2(C)CCCO2)CCO1
365633457	ZINC000336550357	ref	6.03	-12.44	0	291.322	2.036	0	3	2	O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccccc1F
282122246	ZINC000449153191	ref	8.47	-55.85	1	270.38	2.327	1	3	6	CCn1nnc(C)c1C[NH2+][C@H]1C[C@H]1Cc1ccccc1
342078429	ZINC000625292925	ref	5.24	-13.21	0	294.317	1.95	1	2	4	CC(=O)N1CCC(CNC(=O)C[C@@H](C)C(F)(F)F)CC1
342078430	ZINC000608847285	ref	5.02	-17.21	0	293.323	1.687	2	4	5	CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1cccc([N+](=O)[O-])c1
365639114	ZINC000354712861	ref	1.86	-8.86	0	282.344	1.46	1	5	2	COc1nn(C)cc1NC(=O)N1C[C@H](C)OC(C)(C)C1
214184430	ZINC000337621122	ref	6.59	-9.52	0	283.416	2.073	1	2	5	CC(C)CCC[C@@H](C)NC(=O)N1CC(=O)N(C)[C@@H](C)C1
214184431	ZINC000337622530	ref	0.99	-15.78	0	253.302	0.232	2	4	7	CN(CCOCCO)C(=O)NCc1ccccn1
214184432	ZINC000337620552	ref	7.59	-10.72	0	287.407	2.444	1	3	5	CC(C)[C@@H]1CCN(C(=O)c2ccc(NCC3CC3)nc2)C1
214184433	ZINC000337623202	ref	12.04	-17.18	0	272.352	3.032	1	4	6	CCCC[C@@H](C)C(=O)Nc1nncn1-c1ccccc1
214184434	ZINC000337622454	ref	7.64	-9.67	0	295.386	2.298	2	3	7	O=C(NCCc1ccccc1)c1ccc(NCC2CC2)nc1
365633408	ZINC000641600657	ref	6.62	-44.5	1	277.416	1.071	2	4	9	CN(C)CC[N@H+](C)CCCNc1cc(C2CC2)ncn1
365633416	ZINC000641600657	mid	6.6	-44.46	1	277.416	1.071	2	4	9	CN(C)CC[N@@H+](C)CCCNc1cc(C2CC2)ncn1
365633422	ZINC000641600657	mid	6.76	-39.62	1	277.416	1.071	2	4	9	CN(CCCNc1cc(C2CC2)ncn1)CC[NH+](C)C
365639116	ZINC000623071602	ref	3.46	-45.07	1	308.382	1.133	1	5	3	CCc1nc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)no1
365639121	ZINC000623071372	ref	3.39	-61.86	1	304.394	1.832	2	3	2	[NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2cccnc2)CC1
365639126	ZINC000623071594	ref	0.72	-71.43	1	308.382	1.511	2	4	2	Cc1nc(NC(=O)N2C[C@@H](C[NH3+])C3(CCOCC3)C2)oc1C
365639130	ZINC000623071731	ref	2.21	-49.11	1	316.224	1.905	2	3	2	[NH3+][C@H]1C[C@@H](NC(=O)c2ncc(Br)s2)C12CCC2
365639134	ZINC000623071413	ref	4.03	-47.77	1	304.394	1.974	2	3	2	[NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)Nc2cccnc2)C1
365639141	ZINC000623071224	ref	2.93	-50.07	1	310.423	1.205	1	5	2	Cc1nnc(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1
365639146	ZINC000623071730	ref	2.24	-48.89	1	316.224	1.905	2	3	2	[NH3+][C@H]1C[C@H](NC(=O)c2ncc(Br)s2)C12CCC2
365639150	ZINC000623071015	ref	2.47	-55.02	1	321.41	1.371	2	6	3	Cc1csc(NC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)n1
365639152	ZINC000623071015	high	2.06	-16.54	0	321.41	1.371	2	7	3	Cc1csc(NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)n1
178300934	ZINC000360462448	ref	4.02	-17.97	0	240.266	2.452	3	2	2	Cc1cc2n[nH]cc2cc1NC(=O)c1cc[nH]c1
178300939	ZINC000360462448	mid	3.92	-16.25	0	240.266	2.452	3	2	2	Cc1cc2[nH]ncc2cc1NC(=O)c1cc[nH]c1
365639157	ZINC000623071603	ref	3.28	-51.13	1	308.382	1.133	1	5	3	CCc1nc(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)no1
365639161	ZINC000623071411	ref	4.32	-48.71	1	304.394	1.974	2	3	2	[NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)Nc2cccnc2)C1
365639167	ZINC000623071733	ref	2.21	-49.09	1	316.224	1.905	2	3	2	[NH3+][C@@H]1C[C@H](NC(=O)c2ncc(Br)s2)C12CCC2
365639173	ZINC000623071053	ref	4.41	-54.0	1	314.393	1.914	2	4	3	Cc1ccc(NC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1
136229157	ZINC000184903185	ref	8.27	-7.44	0	247.313	2.834	0	1	4	C#CCC(C)(C)C(=O)N(C)Cc1cccc(F)c1
168364673	ZINC000368496839	mid	7.7	-46.52	1	329.469	3.264	2	3	4	Cc1nscc1C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1
365639180	ZINC000623071053	high	4.0	-15.8	0	314.393	1.914	2	5	3	Cc1ccc(NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)cc1
185087853	ZINC000096072206	mid	3.68	-34.23	1	254.355	1.523	1	4	3	CO[C@H]1CO[C@@]2(CC[N@H+](Cc3nccs3)C2)C1
185087855	ZINC000096072206	mid	3.83	-35.53	1	254.355	1.523	1	4	3	CO[C@H]1CO[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1
185087857	ZINC000096073849	ref	4.17	-20.19	0	286.357	0.034	0	6	2	CS(=O)(=O)N1CCC[C@@]2(C[C@H](n3cnnc3)CO2)C1
342595213	ZINC000590775912	mid	2.51	-37.9	-1	274.32	1.497	1	4	3	CC[C@@H]1[C@@H](CO)CCN1C(=O)c1cc([O-])cc(C#N)c1
185087860	ZINC000096073388	ref	5.6	-11.29	0	289.379	2.144	0	4	2	CC(C)[C@H]1CO[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
185087863	ZINC000096072926	ref	6.24	-36.16	0	295.314	0.951	2	5	4	O=C([O-])C[N@@H+]1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1
185087864	ZINC000096072926	mid	6.24	-34.14	0	295.314	0.951	2	5	4	O=C([O-])C[N@H+]1CC[C@]2(C[C@@H](Nc3ncccc3F)CO2)C1
398249518	ZINC000100413412	mid	7.51	-29.36	1	226.408	3.031	2	1	8	CCCCCCCCC[N@H+]1CCNC[C@@H]1C
295666251	ZINC000422152143	ref	6.13	-15.2	0	330.428	2.729	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[C@]12CCOC2
342595214	ZINC000590775646	ref	5.21	-10.12	0	267.329	1.126	1	5	5	CC(C)OC(=O)[C@@H](NC(=O)c1ccn(C)n1)C(C)C
295666256	ZINC000273533431	ref	9.6	-35.68	1	342.483	3.145	2	2	6	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H](C1CC1)[NH+]1CCCC1
342595215	ZINC000590775778	ref	5.53	-17.77	0	262.353	1.594	2	3	7	N#CC1(CC(=O)N[C@H](C2CC2)[C@H](CO)C2CC2)CC1
185386244	ZINC000096749083	ref	1.54	-21.57	0	315.276	2.513	2	4	3	NC(=O)c1ccc(NC(=O)c2scnc2C(F)(F)F)cc1
185087873	ZINC000096073319	ref	5.96	-34.67	1	276.38	2.481	1	3	3	COc1ncccc1C[N@@H+]1CCC[C@@]2(C[C@H](C)CO2)C1
185087876	ZINC000096073319	mid	5.98	-34.58	1	276.38	2.481	1	3	3	COc1ncccc1C[N@H+]1CCC[C@@]2(C[C@H](C)CO2)C1
185087878	ZINC000096073319	mid	3.63	-7.31	0	276.38	2.481	0	4	3	COc1ncccc1CN1CCC[C@@]2(C[C@H](C)CO2)C1
342595216	ZINC000590775822	ref	4.18	-8.99	0	289.379	1.972	2	4	6	CC(C)[C@H](CO)[C@H](NC(=O)c1cccc(C#N)n1)C(C)C
342595217	ZINC000590776211	ref	7.74	-10.1	0	295.383	1.871	0	5	6	CCn1nc(C)cc1C(=O)N(C)[C@H](CC(C)C)C(=O)OC
185087881	ZINC000096072379	ref	9.19	-34.56	1	287.403	2.847	1	2	5	c1ccc(CO[C@@H]2CO[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1
185087884	ZINC000096072379	mid	9.19	-35.16	1	287.403	2.847	1	2	5	c1ccc(CO[C@@H]2CO[C@]3(CC[N@@H+](CC4CC4)C3)C2)cc1
185087885	ZINC000096073865	ref	1.83	-17.94	0	291.351	0.636	2	5	3	O=C(CO)N1CCC[C@]2(C[C@H](Nc3cccnc3)CO2)C1
342595218	ZINC000590775713	ref	5.48	-19.2	0	292.335	1.639	2	4	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1ccc[nH]c1=O
178300936	ZINC000237164526	ref	5.37	-39.17	1	374.485	1.31	2	5	5	COC(=O)CN1CCN(c2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1
187169329	ZINC000125098720	ref	1.95	-10.47	0	294.351	1.68	2	4	5	COc1ccc(CNC(=O)N[C@@H]2CCO[C@H]2C)c(OC)c1
178300937	ZINC000237168066	ref	5.97	-52.79	1	369.469	1.625	2	3	3	C[NH2+]C1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc4n[nH]cc4c3)C2)CC1
178300940	ZINC000237173639	ref	5.69	-45.89	1	368.275	1.637	2	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)c2cccc(Br)c2)C1
187169330	ZINC000125095637	ref	2.86	-11.05	0	296.754	1.19	2	3	4	C[C@@H](CO)NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
178300944	ZINC000237174335	ref	6.03	-60.54	1	355.438	1.512	2	3	8	CN(C)C(=O)COc1cccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)c1
178300946	ZINC000237174335	high	5.64	-17.64	0	355.438	1.512	2	4	8	CN(C)C(=O)COc1cccc(CNC(=O)[C@@H](CN)c2ccccc2)c1
187169331	ZINC000125098104	ref	6.88	-50.7	1	279.277	3.217	1	1	6	COC[C@H](C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
178300948	ZINC000237173286	ref	5.79	-50.85	1	367.515	1.498	1	3	6	C[NH2+]C[C@@H](C)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
178300953	ZINC000237168980	ref	5.54	-47.12	1	363.433	1.555	2	3	5	COc1ccc(F)cc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
187169332	ZINC000125099862	ref	4.9	-10.72	0	267.394	2.581	2	3	6	CC[C@@H](SC)C(=O)N[C@@H](C)Cc1ccc(O)cc1
178300955	ZINC000237168856	ref	5.4	-50.04	-1	363.151	1.75	1	4	5	COc1ccc(C(=O)NC[C@H](C)C(=O)[O-])c(I)c1
178300958	ZINC000237158427	ref	6.74	-44.9	1	360.38	1.375	1	4	6	COCC[NH2+]CC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1
178300961	ZINC000237158427	high	5.4	-10.02	0	360.38	1.375	1	5	6	COCCNCC(=O)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1
187169333	ZINC000125091993	ref	2.3	-12.82	0	292.379	1.459	3	3	5	C[C@@H](CO)NC(=O)c1ccc(CNC(=O)C(C)(C)C)cc1
178300963	ZINC000237169605	ref	3.04	-63.23	1	368.377	1.306	1	4	7	CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O
178300967	ZINC000237169605	mid	2.73	-19.75	0	368.377	1.306	1	5	7	CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H](N)CCS(C)(=O)=O
342088356	ZINC000621363301	low	3.05	-36.77	1	283.397	1.552	3	4	4	CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cs1
187169334	ZINC000125091616	ref	3.35	-13.45	0	286.253	1.502	2	2	2	O=C(N[C@H]1CCCCNC1=O)c1cc(F)c(F)cc1F
230236219	ZINC000354870686	low	1.65	-45.39	1	258.318	-0.489	3	4	6	COC(=O)C[C@@H]1C(=O)NCC[N@H+]1CCC[C@H](C)O
136229158	ZINC000184916708	ref	8.06	-8.14	0	245.366	3.256	1	1	6	C=C(C)C[C@@H](C)C(=O)NCCc1ccccc1C
342595219	ZINC000590776298	ref	7.13	-9.36	0	281.356	1.563	0	5	6	CCn1nccc1C(=O)N(C)[C@H](CC(C)C)C(=O)OC
197592220	ZINC000290091530	ref	7.2	-22.75	0	289.339	0.693	0	6	5	CCOC1CC(N(C)C(=O)Cc2nc3ncccn3n2)C1
342595220	ZINC000590776067	ref	9.84	-15.73	0	295.383	1.709	0	5	8	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCCn1ccnc1
342595221	ZINC000590776067	low	10.36	-39.36	1	295.383	1.709	0	4	8	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCCn1cc[nH+]c1
187169335	ZINC000125100514	ref	6.08	-15.7	0	251.33	1.229	0	3	4	CC(C)n1cccc1C(=O)N(C)CC(=O)N(C)C
342595222	ZINC000590775768	ref	5.0	-9.12	0	285.347	1.48	2	4	6	N#Cc1cccc(C(=O)N[C@@H](C2CC2)[C@H](CO)C2CC2)n1
136229159	ZINC000184903484	ref	3.54	-13.31	0	208.261	0.138	1	2	3	CC#CCCCC(=O)N1CCNC(=O)C1
342595223	ZINC000590775915	ref	1.63	-11.38	0	274.32	1.497	2	4	3	CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc(O)cc(C#N)c1
342595224	ZINC000590775915	mid	2.38	-38.15	-1	274.32	1.497	1	4	3	CC[C@@H]1[C@H](CO)CCN1C(=O)c1cc([O-])cc(C#N)c1
342595225	ZINC000590776272	ref	5.91	-13.24	0	289.331	1.475	1	4	5	C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc(CC(=O)OC)c1
197592235	ZINC000290091834	ref	6.76	-48.38	1	266.389	1.199	2	3	8	CCCC[N@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1
365633415	ZINC000617423375	ref	4.05	-16.43	0	291.355	0.871	2	5	5	C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
197592236	ZINC000290091834	mid	6.78	-48.48	1	266.389	1.199	2	3	8	CCCC[N@@H+](C)C[C@H](C)NC(=O)Cc1cnn(C)c1
342595226	ZINC000590775823	ref	5.03	-8.95	0	289.379	1.972	2	4	6	CC(C)[C@H](NC(=O)c1cccc(C#N)n1)[C@H](CO)C(C)C
187169336	ZINC000125098136	ref	4.89	-40.54	1	287.363	2.603	1	4	7	COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2cnccn2)c1
342595227	ZINC000590776079	ref	4.11	-56.99	-1	283.328	1.083	1	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1n[nH]c(C)c1[O-]
342595228	ZINC000590776079	low	3.34	-11.84	0	283.328	1.083	2	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1n[nH]c(C)c1O
342595229	ZINC000590775908	ref	4.67	-16.17	0	297.326	1.703	1	4	5	COC(=O)c1ccc(C(=O)N(C)CC(C)(C)CO)cc1F
342595230	ZINC000590776264	ref	4.58	-12.61	0	269.341	1.425	1	4	6	C=C[C@@H]1OCC[C@H]1NC(=O)CC(C)(C)CC(=O)OC
342595231	ZINC000590776220	ref	8.2	-10.66	0	271.357	1.625	0	4	9	C=CCCOCC(=O)N(C)[C@H](CC(C)C)C(=O)OC
136229160	ZINC000232464421	ref	3.56	-35.01	1	200.351	1.224	2	2	3	C1CSC[C@@H](NC[C@H]2CCC[NH2+]2)C1
342595232	ZINC000590775762	ref	3.6	-11.19	0	280.324	1.835	1	5	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1coc(C)n1
342595233	ZINC000616959560	ref	2.6	-19.37	0	252.701	1.267	2	2	2	Cc1ccc(C(=O)N[C@H]2CCNC2=O)c(Cl)c1
342078431	ZINC000625294159	ref	2.41	-39.28	1	279.38	1.63	3	3	8	COC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccccc1
365633423	ZINC000639790096	ref	2.16	-13.03	0	278.352	1.409	3	3	5	O=C(NC[C@H](O)C1CCOCC1)c1c[nH]cc1C1CC1
342078432	ZINC000625294159	high	1.13	-6.04	0	279.38	1.63	3	4	8	COC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccccc1
342078433	ZINC000608847484	ref	8.48	-18.92	0	267.329	1.075	0	5	8	CCN(CCC(=O)OC)C(=O)CCCn1ccnc1
187169337	ZINC000125098136	high	3.67	-9.1	0	287.363	2.603	1	5	7	COc1cccc(O[C@H](C)CN[C@@H](C)c2cnccn2)c1
342078434	ZINC000608847484	low	8.99	-42.82	1	267.329	1.075	0	4	8	CCN(CCC(=O)OC)C(=O)CCCn1cc[nH+]c1
342078435	ZINC000046490576	ref	5.59	-17.77	0	286.335	1.513	0	5	1	O=C(c1cnn2cccnc12)N1CCO[C@@H]2CCCC[C@@H]21
342078436	ZINC000625293159	ref	4.5	-17.26	0	270.239	1.584	1	5	4	Cc1nnc(CNC(=O)c2coc(C(F)F)c2)n1C
342078437	ZINC000608847906	ref	4.18	-14.72	0	279.296	1.126	2	4	5	CC(=O)NC(C)(C)C(=O)NCc1cccc([N+](=O)[O-])c1
342078438	ZINC000625293374	ref	7.48	-11.44	0	280.372	1.238	0	6	6	CCOC[C@H]1CN(c2nnc(C)n2CC2CC2)CCO1
187169338	ZINC000125101736	ref	9.36	-8.82	0	279.361	3.004	0	5	6	CCOc1cc(C#N)ccc1OC(=O)[C@@H](CC)SC
365633427	ZINC000354701901	ref	5.76	-17.97	0	282.306	1.994	2	2	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)CC(F)(F)F
342078439	ZINC000625294156	ref	7.69	-51.08	1	264.373	1.182	2	3	6	Cc1cncn1CC(=O)NCC[N@@H+](C)C1CCCC1
349534620	ZINC000621230815	ref	6.69	-9.44	0	294.37	2.477	1	2	6	CCC(=O)N[C@H](C)C(=O)N(Cc1ccc(F)cc1)C(C)C
197592226	ZINC000162797551	ref	5.76	-15.22	0	318.417	1.875	2	3	6	CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@@H](O)c2ccccc2)C1
342078440	ZINC000625294156	mid	7.7	-51.05	1	264.373	1.182	2	3	6	Cc1cncn1CC(=O)NCC[N@H+](C)C1CCCC1
365633434	ZINC000639790081	ref	3.15	-13.88	0	250.331	1.096	0	7	5	CN(Cc1ccns1)Cc1nnnn1C1CC1
342078441	ZINC000625294156	mid	8.2	-87.56	2	264.373	1.182	2	2	6	Cc1c[nH+]cn1CC(=O)NCC[N@@H+](C)C1CCCC1
342078442	ZINC000625294156	mid	8.21	-87.27	2	264.373	1.182	2	2	6	Cc1c[nH+]cn1CC(=O)NCC[N@H+](C)C1CCCC1
136229161	ZINC000232464421	mid	4.92	-122.05	2	200.351	1.224	2	1	3	C1CSC[C@@H]([NH2+]C[C@H]2CCC[NH2+]2)C1
136229162	ZINC000292837305	ref	5.65	-39.23	1	245.326	1.291	3	1	5	C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ccc[nH]1
342078443	ZINC000625292828	ref	5.95	-17.53	0	284.4	1.422	1	3	6	CCO[C@@H](C(=O)NCC1CCN(C(C)=O)CC1)C(C)C
342078444	ZINC000608846913	ref	4.18	-14.85	0	279.296	1.126	2	4	5	CC(=O)NC(C)(C)C(=O)NCc1ccc([N+](=O)[O-])cc1
342595234	ZINC000590776112	ref	6.81	-9.51	0	293.367	1.753	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1cc(C)nnc1C
282122251	ZINC000449153191	high	7.2	-9.51	0	270.38	2.327	1	4	6	CCn1nnc(C)c1CN[C@H]1C[C@H]1Cc1ccccc1
342595235	ZINC000590775689	ref	7.44	-8.36	0	253.342	1.88	1	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1C
282122255	ZINC000449153034	ref	4.0	-40.66	1	255.402	2.188	2	2	4	C[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]C[C@@H](O)C1CCOCC1
214184438	ZINC000337620686	ref	-0.5	-10.89	0	279.287	0.71	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@@H]1OC(F)F
214184439	ZINC000337621937	ref	4.64	-11.38	0	297.358	2.259	2	3	4	O=C(N[C@@H](c1ccccc1)c1ccccn1)N[C@@H]1CCOC1
197592234	ZINC000162798954	ref	3.91	-16.46	0	324.45	2.294	2	4	5	CCC(=O)N[C@H]1CCCN(C(=O)N[C@@H](CC)c2nccs2)C1
214184440	ZINC000337623513	ref	6.75	-12.61	0	271.364	2.094	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CCC12CCC2
282122261	ZINC000449153039	ref	4.38	-44.76	1	265.353	2.099	2	3	5	C[C@H](O)CC[NH2+]Cc1ccc2c(c1)OCCCCO2
342595236	ZINC000590776082	ref	8.02	-9.09	0	297.395	1.849	0	4	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H]1CC12CCOCC2
214184442	ZINC000337622034	ref	7.18	-7.72	0	287.407	2.491	2	3	6	C[C@H]1CC[C@H](CNC(=O)c2ccc(NCC3CC3)nc2)C1
214184444	ZINC000337623942	ref	6.24	-8.15	0	289.354	3.293	2	2	4	Cc1[nH]nc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1C
214184445	ZINC000337623942	mid	6.28	-8.03	0	289.354	3.293	2	2	4	Cc1n[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1C
214184446	ZINC000337621841	ref	-0.89	-14.04	0	278.268	0.408	3	5	6	NC(=O)c1cc(CNC(=O)NCCc2ccco2)on1
282122266	ZINC000449153039	high	3.03	-6.53	0	265.353	2.099	2	4	5	C[C@H](O)CCNCc1ccc2c(c1)OCCCCO2
214184448	ZINC000337622035	ref	7.23	-7.65	0	287.407	2.491	2	3	6	C[C@@H]1CC[C@H](CNC(=O)c2ccc(NCC3CC3)nc2)C1
214184449	ZINC000337621807	ref	4.91	-9.94	0	289.379	2.497	2	3	6	O=C(CCC1CCCCC1)NCC(=O)Nc1cccnc1
303959969	ZINC000563541093	ref	5.69	-15.09	0	316.401	1.155	1	3	3	CC(=O)NC[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)CCO1
303959971	ZINC000563541736	ref	3.79	-14.44	0	324.808	1.401	2	3	5	CC(=O)N1CC[C@H](CNC(=O)[C@H](CO)c2ccc(Cl)cc2)C1
303959973	ZINC000563543449	ref	5.61	-46.45	1	308.378	1.486	2	4	9	CCCC[C@H](C[NH3+])NC(=O)c1cccc(OCC(=O)OC)c1
303959975	ZINC000563541437	ref	1.19	-28.71	0	320.44	1.278	2	6	9	CCCc1nnc(NC(=O)CCCCCS(N)(=O)=O)s1
133428358	ZINC000306474414	ref	4.12	-6.91	0	185.292	1.574	1	2	3	C=C(C)CS[C@@H]1CCCNC1=O
187169339	ZINC000125098657	ref	5.6	-17.22	0	277.368	1.767	1	3	3	CCc1n[nH]c(=O)c(C(=O)N2CCC[C@H](C)C2)c1CC
197592239	ZINC000162795560	ref	7.91	-46.79	1	322.424	2.75	1	2	7	CCN(C(=O)C[NH2+][C@H](C)[C@@H]1CCOC1)[C@H](C)c1ccc(F)cc1
187169340	ZINC000125093239	ref	3.67	-15.3	0	290.363	1.189	2	3	4	CNC(=O)C(C)(C)CNC(=O)[C@@H]1OCCc2ccccc21
187169341	ZINC000125100677	ref	7.69	-39.24	1	294.37	2.066	1	2	4	CC[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C
187169342	ZINC000125100677	high	5.84	-11.55	0	294.37	2.066	0	3	4	CC[C@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)N(C)C
365633428	ZINC000617415169	ref	5.06	-48.89	1	281.356	0.126	2	3	5	C[N@@H+]1CCC[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1
187169344	ZINC000125098384	ref	-1.07	-10.34	0	285.388	-0.136	3	4	4	CC(C)(C)NC(=O)CNC(=O)CN1CCC[C@](C)(O)C1
197592242	ZINC000162794192	ref	2.28	-15.34	0	320.414	1.815	2	4	5	O=S(=O)(Cc1cccc2cccnc12)NC[C@H]1CCC[C@H]1O
342595237	ZINC000590776278	ref	7.01	-23.95	0	294.351	1.343	1	4	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1c[nH]cc(C)c1=O
187169345	ZINC000125098384	mid	0.95	-36.26	1	285.388	-0.136	4	3	4	CC(C)(C)NC(=O)CNC(=O)C[N@@H+]1CCC[C@](C)(O)C1
187169346	ZINC000125098384	mid	1.15	-35.77	1	285.388	-0.136	4	3	4	CC(C)(C)NC(=O)CNC(=O)C[N@H+]1CCC[C@](C)(O)C1
187169347	ZINC000125093898	ref	1.05	-44.64	1	295.383	0.546	5	3	7	C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1cccc(O)c1
187169348	ZINC000125096968	ref	6.23	-8.06	0	299.374	3.494	1	4	5	C[C@@H](NC(=O)CC1CCCC1)c1noc(-c2ccccc2)n1
342595238	ZINC000590776040	ref	4.27	-10.12	0	254.286	1.334	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1cocn1
187169349	ZINC000125097272	ref	9.8	-8.29	0	298.434	3.193	0	4	6	Cn1ncnc1CN1CCCC[C@@H]1CCCc1ccccc1
187169350	ZINC000125097272	mid	12.0	-41.32	1	298.434	3.193	1	3	6	Cn1ncnc1C[N@@H+]1CCCC[C@@H]1CCCc1ccccc1
187169351	ZINC000125097272	mid	11.92	-42.85	1	298.434	3.193	1	3	6	Cn1ncnc1C[N@H+]1CCCC[C@@H]1CCCc1ccccc1
187169352	ZINC000125097429	ref	6.18	-10.59	0	290.407	3.012	2	2	3	C[C@@H]1CCN(C(=O)NCCc2cccc(O)c2)C[C@@H](C)C1
187169353	ZINC000125097089	ref	6.48	-11.99	0	254.696	1.897	1	4	4	Cn1cnnc1CNCc1cccc(Cl)c1F
230236226	ZINC000354870686	low	2.23	-52.62	1	258.318	-0.489	3	4	6	COC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CCC[C@H](C)O
342595239	ZINC000590775687	ref	7.4	-9.25	0	253.342	1.88	1	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C
342595240	ZINC000590775825	ref	4.17	-8.56	0	289.379	1.972	2	4	6	CC(C)[C@H](CO)[C@@H](NC(=O)c1cccc(C#N)n1)C(C)C
342595241	ZINC000590776328	ref	5.27	-21.57	0	251.33	1.197	1	3	7	CCN1C[C@H](NC(=O)CCCCCC#N)CC1=O
178300943	ZINC000359815727	ref	4.73	-9.72	0	227.267	3.076	2	3	3	Cc1cc2n[nH]cc2cc1NCc1ccco1
190493521	ZINC000269424405	ref	6.36	-14.7	0	251.326	2.418	1	3	6	CCC[C@H](C)N(C)C(=O)COc1ccccc1O
365633438	ZINC000617415169	mid	5.59	-50.9	1	281.356	0.126	2	3	5	C[N@H+]1CCC[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1
365633442	ZINC000617415169	high	2.7	-16.74	0	281.356	0.126	1	4	5	CN1CCC[C@H](NC(=O)CCCN2C(=O)CCC2=O)C1
365633447	ZINC000617424607	ref	3.74	-22.54	0	298.306	0.604	2	6	2	C[C@H]1C[C@H](NC(=O)c2ccnc3c2CC(=O)N3)c2ncnn21
365633452	ZINC000617423695	ref	4.88	-17.02	0	299.338	0.794	2	7	3	C[C@H]1C[C@@H](NC(=O)c2cnc(C3CC3)nc2N)c2ncnn21
342595242	ZINC000590776329	ref	5.28	-21.38	0	251.33	1.197	1	3	7	CCN1C[C@@H](NC(=O)CCCCCC#N)CC1=O
190493522	ZINC000269423502	ref	8.93	-8.49	0	295.473	3.178	1	3	6	C[C@@H](CSCc1ccccc1)C(=O)N[C@H]1CCSC1
365633458	ZINC000617415479	ref	1.49	-13.31	0	290.429	0.658	1	4	6	CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCCN(C)C1
365633465	ZINC000617415479	low	4.39	-48.54	1	290.429	0.658	2	3	6	CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCC[N@H+](C)C1
365633470	ZINC000617415479	low	3.86	-47.5	1	290.429	0.658	2	3	6	CC(C)CS(=O)(=O)CCC(=O)N[C@H]1CCC[N@@H+](C)C1
214184453	ZINC000337622036	ref	7.19	-7.64	0	287.407	2.491	2	3	6	C[C@@H]1CC[C@@H](CNC(=O)c2ccc(NCC3CC3)nc2)C1
349534621	ZINC000621494267	ref	7.11	-9.97	0	274.355	3.109	1	1	3	CC(C)(C)[C@@H]1CCN(C(=O)NCC[C@H]2CC2(F)F)C1
365633475	ZINC000617423183	ref	5.6	-23.08	0	272.312	0.857	1	6	2	C[C@@H]1C[C@@H](NC(=O)c2cnc3n2CCC3)c2ncnn21
365633486	ZINC000617415618	ref	3.15	-37.1	1	264.329	0.623	3	3	2	Cc1n[nH]c(=O)c(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1C
365633497	ZINC000617415618	mid	3.66	-35.14	1	264.329	0.623	3	3	2	Cc1n[nH]c(=O)c(C(=O)N[C@H]2CCC[N@H+](C)C2)c1C
365633503	ZINC000617415618	high	0.76	-8.53	0	264.329	0.623	2	4	2	Cc1n[nH]c(=O)c(C(=O)N[C@H]2CCCN(C)C2)c1C
365633511	ZINC000617423059	ref	4.55	-16.74	0	287.327	0.881	1	7	5	C=CCCn1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)nn1
365633520	ZINC000617415543	ref	5.4	-45.14	1	250.346	0.563	2	3	4	Cn1cc(CCC(=O)N[C@@H]2CCC[N@H+](C)C2)cn1
349534624	ZINC000621494683	ref	7.59	-9.24	0	272.339	3.007	1	1	3	O=C(NCC[C@@H]1CC1(F)F)N1CCC2(CCC2)CC1
365633525	ZINC000617415543	mid	5.93	-46.77	1	250.346	0.563	2	3	4	Cn1cc(CCC(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1
365633544	ZINC000617415543	high	3.03	-11.43	0	250.346	0.563	1	4	4	CN1CCC[C@@H](NC(=O)CCc2cnn(C)c2)C1
214184454	ZINC000337621754	ref	5.38	-14.45	0	292.354	2.308	2	2	4	CC(C)[C@H](NC(=O)[C@@H]1CCCC(=O)N1)c1ccc(F)cc1
365633439	ZINC000354703605	ref	3.41	-14.17	0	297.355	1.389	1	4	5	Cc1ccc(F)c(S(=O)(=O)NCCc2ccn(C)n2)c1
398248556	ZINC000649442908	ref	2.92	-47.14	1	234.299	1.484	1	3	5	COCCOc1ccc(C2=CC[NH2+]CC2)cn1
398248561	ZINC000649442926	ref	3.81	-44.96	1	223.703	2.209	2	1	2	OCc1cc(Cl)cc(C2=CC[NH2+]CC2)c1
365633444	ZINC000354703605	high	3.33	-58.23	-1	297.355	1.389	0	4	5	Cc1ccc(F)c(S(=O)(=O)[N-]CCc2ccn(C)n2)c1
365633449	ZINC000354703547	ref	3.21	-42.64	1	295.387	1.377	2	4	5	CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cn(C)nc2OC)C1
178300957	ZINC000004291312	ref	4.44	-8.71	0	219.21	2.499	1	3	0	Cc1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](C)N2
178300960	ZINC000360428040	ref	3.4	-13.38	0	242.238	2.112	2	4	2	Cc1cc2n[nH]cc2cc1NC(=O)c1ccon1
365633455	ZINC000354702291	ref	3.62	-12.6	0	273.402	1.318	1	4	8	CCC[C@H](C)CS(=O)(=O)NCCc1ccn(C)n1
365633462	ZINC000354701974	ref	6.62	-12.03	0	269.385	1.932	0	3	4	C[C@H]1C[C@@H](C)CN(C(=O)COC[C@H]2CCOC2)[C@H]1C
365633467	ZINC000354701906	ref	6.08	-16.08	0	282.306	1.994	2	2	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H](C)CC(F)(F)F
178300966	ZINC000360428040	mid	3.3	-11.15	0	242.238	2.112	2	4	2	Cc1cc2[nH]ncc2cc1NC(=O)c1ccon1
365633474	ZINC000354703089	ref	2.89	-10.34	0	271.32	1.98	2	4	6	COC[C@@H](Nc1ccc(C(N)=O)cn1)c1ccccc1
365633480	ZINC000354704308	ref	6.09	-8.09	0	290.367	1.832	1	5	7	O=C(CCOCC1CC1)Nc1cncnc1N1CCCC1
365633485	ZINC000354702041	ref	7.75	-17.53	0	276.336	1.487	0	4	4	CCOC(=O)[C@@H]1CCCN1C(=O)Cc1cccnc1C
365633492	ZINC000354703232	ref	4.82	-41.7	1	283.416	1.585	3	2	4	C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCO[C@H](C)C2)C1
365633496	ZINC000354703232	mid	4.84	-41.25	1	283.416	1.585	3	2	4	C[C@@H]1CCC[N@@H+](CCNC(=O)N[C@@H]2CCO[C@H](C)C2)C1
178300970	ZINC000000122990	ref	4.37	-9.32	0	238.29	3.694	1	3	1	Cc1cc2nc(-c3cccc(N)c3)oc2cc1C
178300977	ZINC000336394150	ref	6.06	-12.98	0	243.31	2.856	2	2	3	Cc1cc2n[nH]cc2cc1NC(=O)C[C@@H]1C[C@H]1C
178300981	ZINC000336394150	mid	5.96	-11.09	0	243.31	2.856	2	2	3	Cc1cc2[nH]ncc2cc1NC(=O)C[C@@H]1C[C@H]1C
214184455	ZINC000337622924	ref	7.87	-6.72	0	251.292	3.079	0	1	4	CC(C)CN(CC(F)(F)F)C(=O)[C@@H]1CC1(C)C
365633500	ZINC000354703232	high	2.29	-8.6	0	283.416	1.585	2	3	4	C[C@@H]1CCCN(CCNC(=O)N[C@@H]2CCO[C@H](C)C2)C1
365633507	ZINC000354703706	ref	4.59	-17.55	0	281.352	1.866	1	2	4	O=C(C/C=C\c1ccccc1F)N[C@@H]1CC[S@](=O)C1
187169354	ZINC000125097089	low	7.85	-51.21	1	254.696	1.897	1	3	4	Cn1cnnc1C[NH2+]Cc1cccc(Cl)c1F
187169355	ZINC000125101537	ref	8.52	-9.1	0	265.328	2.765	0	2	7	C=CCCO[C@H](C)C(=O)N(C)Cc1ccccc1F
299072170	ZINC000352073597	ref	8.6	-37.57	1	311.47	2.316	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCCO1
187169356	ZINC000125096343	ref	5.36	-11.17	0	270.279	2.606	1	2	1	C[C@@H]1OCCN(C(=O)Nc2c(F)cccc2F)[C@@H]1C
187169357	ZINC000125093498	ref	6.24	-9.17	0	269.385	2.077	0	3	6	COCCCOC1CCN(C(=O)[C@H]2CC2(C)C)CC1
187169358	ZINC000125095628	ref	1.92	-10.36	0	291.342	0.699	1	3	5	CC[C@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCN1CC(F)F
187169359	ZINC000125092159	ref	4.12	-13.15	0	294.351	1.269	2	4	4	CCc1[nH]c(C(=O)N2CCC[C@H]2CO)c(C)c1C(=O)OC
187169360	ZINC000125097188	ref	4.48	-50.74	1	265.25	2.563	2	1	5	C[C@@H](CO)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
187169361	ZINC000125097188	high	3.11	-4.9	0	265.25	2.563	2	2	5	C[C@@H](CO)CNCc1cc(F)cc(C(F)(F)F)c1
187169362	ZINC000125092871	ref	5.93	-5.81	0	286.734	3.12	1	2	1	C[C@@H]1OCCN(C(=O)Nc2ccc(F)cc2Cl)[C@@H]1C
187169363	ZINC000125101036	ref	0.23	-8.63	0	280.324	0.911	3	4	6	CC[C@H](O)CCNC(=O)C(=O)Nc1ccc(OC)cc1
342078445	ZINC000625294277	ref	3.57	-7.43	0	294.395	1.999	1	4	6	C[C@H](CC(=O)N[C@H](C)[C@@H](C)N1CCOCC1)c1ccco1
299072178	ZINC000352073597	high	6.21	-7.74	0	311.47	2.316	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@@H]1CCCCO1
342078446	ZINC000625294277	mid	5.9	-40.33	1	294.395	1.999	2	3	6	C[C@H](CC(=O)N[C@H](C)[C@@H](C)[NH+]1CCOCC1)c1ccco1
342078447	ZINC000625293768	ref	5.29	-18.0	0	269.304	1.908	2	3	2	Cc1cccc2c1CC[C@H]2NC(=O)c1cc(=O)[nH]cn1
187169366	ZINC000125093126	ref	4.59	-10.66	0	288.363	2.55	0	3	4	CC[C@H]1CN(C(=O)c2cccs2)CCN1CC(F)F
214184459	ZINC000337624177	ref	3.39	-28.27	0	275.312	0.282	2	3	3	Cc1c[nH]cc1C(=O)N=c1ccn(CC(=O)N(C)C)[nH]1
187169367	ZINC000125101769	ref	4.16	-7.1	0	298.818	2.915	3	5	6	CNc1c(Cl)ncnc1NCCC[C@H]1CCCC[C@H]1O
187169368	ZINC000125098631	ref	2.6	-11.75	0	292.379	1.88	3	3	5	C[C@H](O)C[C@@H]1CCCN1C(=O)NCCc1cccc(O)c1
214184460	ZINC000337621434	ref	6.85	-11.07	0	272.352	3.032	1	4	6	CCC(CC)CC(=O)Nc1cnccc1-n1cccn1
342078448	ZINC000625293768	high	4.13	-45.51	-1	269.304	1.908	1	3	2	Cc1cccc2c1CC[C@H]2NC(=O)c1cc(=O)[n-]cn1
342078449	ZINC000608848246	ref	9.5	-14.99	0	293.367	1.463	0	5	8	COC(=O)[C@H](C)CN(C(=O)CCCn1ccnc1)C1CC1
187169369	ZINC000125091519	ref	1.42	-13.87	0	290.776	1.161	2	6	4	CNc1c(Cl)ncnc1NC[C@H]1CCCS1(=O)=O
349534622	ZINC000618813200	ref	4.5	-12.05	0	285.347	1.881	2	3	3	CC1(CNC(=O)N[C@H]2CCc3cc(C#N)ccc32)COC1
365633464	ZINC000336550117	ref	7.43	-47.37	1	298.39	2.289	3	2	3	C[C@H]1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@@H+]1C
342078450	ZINC000608848246	low	10.02	-38.9	1	293.367	1.463	0	4	8	COC(=O)[C@H](C)CN(C(=O)CCCn1cc[nH+]c1)C1CC1
365633469	ZINC000336550117	mid	6.77	-46.07	1	298.39	2.289	3	2	3	C[C@H]1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CC[N@H+]1C
282122254	ZINC000533469635	ref	7.42	-22.22	0	268.386	1.324	0	5	5	CC[C@@H](SC)C(=O)N(C)Cc1nnc2n1CCC2
342078451	ZINC000625293028	ref	4.68	-9.6	0	275.414	1.862	0	3	4	CN(C[C@@H]1CC1(C)C)S(=O)(=O)[C@@H]1COC(C)(C)C1
365633476	ZINC000336550117	high	5.14	-9.48	0	298.39	2.289	2	3	3	C[C@H]1C[C@H](NC(=O)c2cnc(-c3ccccc3)[nH]2)CCN1C
365633481	ZINC000336550245	ref	4.21	-13.35	0	294.42	2.4	1	4	2	O=C([C@@H]1CCC[C@H](O)C1)N1CCC(c2nccs2)CC1
365633487	ZINC000336550164	ref	6.47	-8.85	0	287.359	2.205	0	3	2	Cc1ccccc1C(=O)N1CCOC[C@@H]1[C@H]1CCCC1=O
342078452	ZINC000625293022	ref	4.59	-9.04	0	275.414	1.862	0	3	4	CN(C[C@H]1CC1(C)C)S(=O)(=O)[C@H]1COC(C)(C)C1
342078453	ZINC000608847948	ref	4.12	-13.75	0	289.335	1.81	2	4	5	CCOc1ccc(C#N)cc1NC(=O)C(C)(C)NC(C)=O
342078454	ZINC000031766020	ref	2.02	-16.23	0	292.32	1.18	0	7	3	Cc1nc(Cn2c(S(C)(=O)=O)nc3ccccc32)no1
342078455	ZINC000608847945	ref	7.34	-8.45	0	263.337	1.995	1	3	5	CC[C@@](C)(NC(=O)Cc1cccc(C)c1)C(=O)OC
342078456	ZINC000625294165	ref	6.58	-10.58	0	280.372	1.307	0	6	7	COCc1nnc(N(C)CC2(C)COC2)n1CC1CC1
342078457	ZINC000046490581	ref	5.3	-16.8	0	286.335	1.513	0	5	1	O=C(c1cnn2cccnc12)N1CCO[C@@H]2CCCC[C@H]21
342078458	ZINC000625293635	ref	4.04	-13.56	0	267.329	1.106	1	5	8	CCO[C@@H](C(=O)NCCc1noc(CC)n1)C1CC1
342078459	ZINC000608847410	ref	3.42	-17.59	0	294.307	1.329	2	5	3	COC(=O)c1c[nH]c(=O)c(NC(=O)C2(C)CCOCC2)c1
342078460	ZINC000625293565	ref	3.2	-9.36	0	259.371	1.368	0	3	2	CC1(C)C[C@@H](S(=O)(=O)N2CC3CC2(C)C3)CO1
342078461	ZINC000625293639	ref	3.91	-13.84	0	267.329	1.106	1	5	8	CCO[C@H](C(=O)NCCc1noc(CC)n1)C1CC1
342078462	ZINC000625293176	ref	4.53	-14.23	0	270.239	1.584	1	5	4	Cc1nnc(CNC(=O)c2ccc(C(F)F)o2)n1C
342078463	ZINC000046490574	ref	5.38	-16.7	0	286.335	1.513	0	5	1	O=C(c1cnn2cccnc12)N1CCO[C@H]2CCCC[C@@H]21
342078464	ZINC000625293396	ref	3.4	-15.66	0	290.363	1.689	2	3	3	CC(=O)N1CCC(CNC(=O)c2c(C)cccc2O)CC1
342078465	ZINC000625293396	high	4.17	-58.12	-1	290.363	1.689	1	3	3	CC(=O)N1CCC(CNC(=O)c2c(C)cccc2[O-])CC1
342078466	ZINC000608846758	ref	5.01	-13.11	0	257.33	1.215	0	4	5	COC(=O)CCCN(C)C(=O)C1(C)CCOCC1
342078467	ZINC000625293988	ref	2.99	-10.67	0	279.262	1.879	1	4	6	CCc1nc(CCNC(=O)C[C@@H](C)C(F)(F)F)no1
342078468	ZINC000625293567	ref	3.4	-9.56	0	259.371	1.368	0	3	2	CC1(C)C[C@H](S(=O)(=O)N2CC3CC2(C)C3)CO1
214184461	ZINC000337621434	mid	7.31	-35.39	1	272.352	3.032	1	3	6	CCC(CC)CC(=O)Nc1c[nH+]ccc1-n1cccn1
214184462	ZINC000337622375	ref	3.05	-15.63	0	278.316	-0.139	3	5	3	Cc1cc(N(C)C)nc(NC(=O)N[C@H]2CNC(=O)C2)n1
365633471	ZINC000274356852	high	2.66	-5.13	0	266.414	1.515	0	5	4	CS[C@@H]1CN([C@@H](C)c2cnccn2)C[C@H]1N(C)C
214184463	ZINC000337620616	ref	7.73	-12.45	0	290.33	2.015	1	6	3	Cc1cccc2nc(CNc3ncnc4ccncc34)cn12
342078469	ZINC000077826321	ref	5.75	-15.44	0	264.373	1.86	2	3	5	CC[C@H](C)NC(=O)NCCc1cn2c(n1)CCCC2
214184464	ZINC000337620616	low	8.17	-35.47	1	290.33	2.015	1	5	3	Cc1cccc2[nH+]c(CNc3ncnc4ccncc34)cn12
214184467	ZINC000337622903	ref	5.15	-11.26	0	262.334	2.147	1	4	5	Cc1cnccc1CNC(=O)COc1ccsc1
412491562	ZINC000548582973	ref	0.7	-8.65	0	310.354	-0.082	2	7	6	COCCO[C@H]1COCC[C@H]1NC(=O)c1cnc(C)nc1N
214184470	ZINC000337624098	ref	8.19	-10.1	0	283.375	3.461	2	2	5	O=C(N[C@H](CC1CCCC1)c1ccccc1)c1cnc[nH]1
342078470	ZINC000077826321	low	6.17	-33.7	1	264.373	1.86	2	2	5	CC[C@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2
214184472	ZINC000337621404	ref	1.73	-14.96	0	275.345	0.038	1	5	9	C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)CCOCCO
214184473	ZINC000337622269	ref	1.86	-14.0	0	290.266	0.764	1	5	8	CN(CCOCCO)C(=O)c1ccc(OC(F)F)cn1
214184476	ZINC000337623318	ref	8.38	-12.91	0	286.379	3.201	1	4	6	CCCCn1ncc(C(=O)Nc2ncccc2CC)c1C
178305815	ZINC000062949150	ref	7.82	-44.93	1	243.354	2.966	1	2	1	Cc1cc2ncn([C@@H]3CC[C@H](C)[NH2+]C3)c2cc1C
214184479	ZINC000337621302	ref	3.33	-15.34	0	287.356	0.433	1	5	7	COC(=O)[C@H]1CCC[C@@H](C(=O)N(C)CCOCCO)C1
342078471	ZINC000625293031	ref	4.59	-9.5	0	275.414	1.862	0	3	4	CN(C[C@@H]1CC1(C)C)S(=O)(=O)[C@H]1COC(C)(C)C1
342078472	ZINC000600311696	ref	5.78	-51.43	1	293.367	1.263	3	3	4	COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c[nH]1
187169370	ZINC000125097671	ref	4.62	-54.75	1	278.249	2.07	2	1	5	CNC(=O)CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
342595243	ZINC000590776306	ref	5.36	-10.0	0	273.373	1.584	1	4	7	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCC(C)(C)O
187169371	ZINC000125097671	high	3.26	-8.58	0	278.249	2.07	2	2	5	CNC(=O)CCNCc1cc(F)cc(C(F)(F)F)c1
342595244	ZINC000590776234	ref	4.6	-12.68	0	285.384	1.585	1	4	6	CC[C@H]1[C@H](CO)CCN1C(=O)CC(C)(C)CC(=O)OC
197592263	ZINC000162798865	ref	6.35	-39.0	1	320.824	2.773	2	3	7	CCCC[C@H](C[NH3+])NC(=O)c1ccn(-c2cccc(Cl)c2)n1
342595245	ZINC000590776284	ref	4.3	-10.32	0	298.339	1.481	0	6	7	COCc1nc(C(=O)N(C)[C@H](CC(C)C)C(=O)OC)co1
342595246	ZINC000590776269	ref	6.67	-8.93	0	293.363	1.981	1	4	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)Cc1ccccc1O
342595247	ZINC000590776114	ref	6.21	-9.53	0	279.34	1.445	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccnnc1C
342595248	ZINC000590775644	ref	7.46	-15.73	0	297.351	1.034	1	5	4	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1C[C@H]1C(=O)OC
342595249	ZINC000590775631	ref	5.46	-7.0	0	279.34	1.491	1	5	5	Cc1nccc(C(=O)N[C@H](C(=O)OC(C)C)C(C)C)n1
197592274	ZINC000162787739	ref	6.59	-16.97	0	317.389	2.776	3	3	5	Cc1[nH]c2ccccc2c1CCNC(=O)NO[C@@H]1CCCCO1
398248557	ZINC000650869249	ref	4.51	-14.15	0	286.322	1.92	2	2	6	C[C@H](CCO)N(C)C(=O)NCCc1cccc(F)c1F
197592276	ZINC000162794681	ref	0.37	-10.38	0	319.81	1.788	2	4	5	COc1ccc(Cl)c(S(=O)(=O)NC[C@H]2CCC[C@H]2O)c1
197592278	ZINC000162794681	high	0.53	-51.56	-1	319.81	1.788	1	4	5	COc1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2O)c1
342595250	ZINC000590775903	ref	3.83	-7.26	0	257.293	1.335	1	4	3	C=C[C@@H]1OCC[C@H]1NC(=O)c1ncc(C#N)cc1C
187169372	ZINC000125092951	ref	6.39	-5.88	0	265.307	3.032	1	3	5	CCn1nccc1CN[C@H](C)c1ccc(F)cc1F
282122258	ZINC000183879338	ref	8.84	-54.85	1	332.448	2.976	1	5	7	CCC(CC)(C[NH2+][C@H](C)c1cnc2cc(C)nn2c1C)C(=O)OC
187169373	ZINC000125092951	mid	7.56	-49.37	1	265.307	3.032	1	2	5	CCn1nccc1C[NH2+][C@H](C)c1ccc(F)cc1F
187169374	ZINC000125100185	ref	4.8	-15.71	0	284.306	2.598	0	3	5	CC[C@@H]1CCN(C(=O)c2ccnc(OCC(F)F)c2)C1
187169375	ZINC000125098441	ref	8.25	-6.72	0	252.358	3.127	0	3	4	Cc1cc(C(=O)N(CC(C)C)CC(C)(C)C)no1
349534623	ZINC000621241014	ref	7.21	-55.73	-1	285.303	2.248	1	5	4	Cn1nc(C(=O)Nc2ccccc2C(=O)[O-])cc1C1CC1
282122268	ZINC000183879338	high	7.84	-10.57	0	332.448	2.976	1	6	7	CCC(CC)(CN[C@H](C)c1cnc2cc(C)nn2c1C)C(=O)OC
178300969	ZINC000237160346	ref	5.72	-49.12	1	374.268	1.514	1	3	6	COCC[NH2+]CC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
365633479	ZINC000274354903	ref	5.59	-7.38	0	288.351	1.596	1	4	2	O=C(Nc1cncnc1)C(=O)N1CCC[C@@H]1C1CCCC1
365633490	ZINC000274354892	ref	3.38	-12.14	0	297.351	1.479	1	5	12	COCCOCCOCCCNC(=O)/C=C/c1ccco1
365633498	ZINC000274355549	ref	4.82	-9.89	0	290.266	1.76	0	6	6	CCOC(=O)c1cnn(CCC2OCCO2)c1C(F)F
178300972	ZINC000237160346	high	4.36	-13.94	0	374.268	1.514	1	4	6	COCCNCC(=O)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
365633505	ZINC000274352911	ref	5.73	-5.61	0	263.337	1.835	1	4	5	COC(=O)[C@@H](NC[C@@H]1CCOC1)c1ccccc1C
365633512	ZINC000274352911	low	6.65	-39.02	1	263.337	1.835	1	3	5	COC(=O)[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1C
365633517	ZINC000274355793	ref	5.27	-43.72	1	277.372	1.098	3	2	3	Cc1n[nH]cc1CNC(=O)N1CC[NH+](C2CCC2)CC1
282122259	ZINC000248970248	ref	4.66	-29.54	1	312.454	1.231	3	3	6	C[C@H](O)C[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H](C)CO
365633558	ZINC000274355793	mid	2.83	-9.55	0	277.372	1.098	2	3	3	Cc1n[nH]cc1CNC(=O)N1CCN(C2CCC2)CC1
365633566	ZINC000274355309	ref	4.41	-15.1	0	274.345	1.719	1	3	2	CNC(=O)C1CN(C(=O)c2cccc3ccsc23)C1
178300974	ZINC000237161911	ref	4.5	-44.52	1	355.866	1.099	1	4	9	COCC[NH2+]CC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
342078473	ZINC000600311696	mid	5.96	-51.29	1	293.367	1.263	3	3	4	COC(=O)c1cc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c[nH]1
365633574	ZINC000274355209	ref	2.98	-40.25	1	295.408	1.172	3	3	4	C[C@H]1C[C@H](NS(=O)(=O)c2cccc(N)c2)C[N@@H+]1C1CC1
178300976	ZINC000237161911	low	6.75	-106.26	2	355.866	1.099	2	3	9	COCC[NH2+]CC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1
365633582	ZINC000274355209	mid	2.72	-40.26	1	295.408	1.172	3	3	4	C[C@H]1C[C@H](NS(=O)(=O)c2cccc(N)c2)C[N@H+]1C1CC1
343993817	ZINC000599269839	high	2.93	-10.68	0	252.358	1.542	1	4	6	CCOC1CCN(C[C@@H](O)CC2(C#N)CC2)CC1
178300980	ZINC000237161911	high	3.15	-11.01	0	355.866	1.099	1	5	9	COCCNCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
178300982	ZINC000237174084	ref	4.41	-54.32	1	350.438	1.152	2	3	6	C[NH2+]C[C@@H](C)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1
214184465	ZINC000053491715	ref	4.51	-18.87	0	349.435	0.823	1	5	6	Cc1cc(CN2CCN(C(=O)NCCCN3CCCC3=O)CC2)on1
365633588	ZINC000274355209	mid	0.43	-8.74	0	295.408	1.172	2	4	4	C[C@H]1C[C@H](NS(=O)(=O)c2cccc(N)c2)CN1C1CC1
342078474	ZINC000031748927	ref	2.36	-14.21	0	296.392	1.401	2	3	5	CNS(=O)(=O)c1cccc(CNC(=O)C2CCCC2)c1
365633484	ZINC000576588421	ref	1.56	-18.8	0	246.27	0.325	1	5	1	C[C@@H]1C[C@H](O)CN1C(=O)c1cnc2cccnn12
342078475	ZINC000625293353	ref	5.03	-21.22	0	292.383	1.2	1	4	4	CCn1cc(C(=O)NCC2CCN(C(C)=O)CC2)c(C)n1
365633491	ZINC000576595036	ref	-0.53	-17.23	0	249.332	-0.159	2	4	4	CC[C@](C)(O)CNC(=O)[C@@H]1CCCS1(=O)=O
432002728	ZINC000129237425	ref	4.86	-14.17	0	313.687	3.341	2	3	4	O=C(COc1ccc(F)cc1Cl)Nc1cccc(O)c1F
365633508	ZINC000576587772	ref	3.33	-6.14	0	227.304	1.097	1	3	7	CCO[C@H]1C[C@H]1NC(=O)CC1(COC)CC1
342078476	ZINC000625293990	ref	2.99	-10.73	0	279.262	1.879	1	4	6	CCc1nc(CCNC(=O)C[C@H](C)C(F)(F)F)no1
365633513	ZINC000576591269	ref	10.53	-36.69	1	243.394	3.957	1	0	3	C[C@@H]1[C@H]([NH2+][C@@H]2CCC2(C)C)C[C@H]1c1ccccc1
365633519	ZINC000576592451	ref	9.76	-39.58	1	239.378	3.827	1	0	5	FC1(CC[NH2+][C@H]2CCC[C@H](C3CC3)C2)CCC1
365633551	ZINC000576591268	ref	10.25	-35.64	1	243.394	3.957	1	0	3	C[C@H]1[C@@H](c2ccccc2)C[C@H]1[NH2+][C@H]1CCC1(C)C
398248559	ZINC000650869134	ref	2.56	-13.55	0	290.285	1.527	3	2	7	O=C(NCCc1cccc(F)c1F)N[C@H](CO)CCF
365633553	ZINC000576589254	ref	-1.02	-6.99	0	229.276	-0.323	2	4	4	CO[C@@H]1COC[C@H]1NC(=O)[C@](C)(O)C1CC1
398248562	ZINC000650869936	ref	3.59	-11.02	0	282.388	1.937	2	4	6	CC(C)n1cc([C@@H](C)NC(=O)N(C)[C@@H](C)CCO)cn1
365633560	ZINC000576587494	ref	6.36	-51.43	-1	239.315	1.794	1	3	5	CC1(C)C[C@@H]1CNC(=O)C1(CC(=O)[O-])CCC1
342078477	ZINC000089764348	ref	2.68	-20.79	0	255.277	1.452	2	3	2	O=C1CC[C@H](C(=O)Nc2cncc3ccccc23)N1
365633565	ZINC000576587498	ref	6.36	-51.33	-1	239.315	1.794	1	3	5	CC1(C)C[C@H]1CNC(=O)C1(CC(=O)[O-])CCC1
342078478	ZINC000608847761	ref	4.67	-16.04	0	259.309	1.72	2	3	3	CC(=O)NC(C)(C)C(=O)Nc1cc(C#N)ccc1C
197592290	ZINC000290093492	ref	2.11	-7.21	0	287.363	2.653	1	5	6	COc1ccc(CN[C@H](C)c2cncc(C)c2)c(OC)n1
365633570	ZINC000576589597	ref	7.69	-40.3	1	238.375	1.881	2	1	7	C[NH+](C)CCCCNC(=O)[C@@H]1C[C@H]1C1CCC1
365633575	ZINC000576589695	ref	7.94	-5.55	0	239.403	3.898	1	1	6	CCC[C@@H](CC)NC(=O)C(C)(C)C1CCCC1
197592292	ZINC000290093492	mid	3.23	-44.26	1	287.363	2.653	1	4	6	COc1ccc(C[NH2+][C@H](C)c2cncc(C)c2)c(OC)n1
365633583	ZINC000576587237	ref	4.65	-48.42	1	244.404	1.634	2	2	5	CC[C@H](SC)C(=O)NCC1(C)CC[NH2+]CC1
365633590	ZINC000576589413	ref	3.18	-36.15	1	227.348	1.72	2	2	7	CCC[C@H](C)[C@H](CO)[NH2+]CC1=CCCOC1
365633596	ZINC000576589483	ref	5.89	-6.93	0	239.315	1.779	1	3	4	COC(=O)CC1(NC(=O)C2CCCCC2)CC1
178300984	ZINC000237166123	ref	5.27	-94.58	2	359.474	1.84	5	2	4	C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1
342078479	ZINC000608847512	ref	7.02	-16.41	0	293.323	1.468	1	4	5	CC(=O)NC(C)(C)C(=O)N(C)Cc1ccccc1[N+](=O)[O-]
342078480	ZINC000608848277	ref	7.65	-11.86	0	269.341	1.379	0	4	9	C=CCCOCC(=O)N(C[C@H](C)C(=O)OC)C1CC1
214184471	ZINC000278486208	ref	4.95	-15.35	0	320.784	1.42	1	6	5	O=C(NCCCc1nnc2n1CCCC2)c1cnc(Cl)cn1
214184474	ZINC000278486070	ref	5.31	-11.21	0	309.366	2.677	2	3	5	Cc1ccc(CS(=O)(=O)Nc2cc(C3CC3)n[nH]2)c(F)c1
214184477	ZINC000278486070	mid	5.39	-56.01	-1	309.366	2.677	1	3	5	Cc1ccc(CS(=O)(=O)[N-]c2cc(C3CC3)[nH]n2)c(F)c1
214184480	ZINC000278486070	mid	5.35	-13.17	0	309.366	2.677	2	3	5	Cc1ccc(CS(=O)(=O)Nc2cc(C3CC3)[nH]n2)c(F)c1
214184482	ZINC000278485538	ref	5.73	-46.02	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)c1
214184485	ZINC000278485538	mid	5.85	-46.94	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c1
214184488	ZINC000278485538	mid	3.6	-10.81	0	309.385	2.053	2	3	3	Cc1cc(F)cc(NC(=O)N2CCN(C[C@H](C)O)C[C@H]2C)c1
214184490	ZINC000278485142	ref	6.48	-16.74	0	312.417	3.127	3	2	4	O=C(NCCc1nc2ccccc2[nH]1)NC1CCC2(CC1)CC2
214184493	ZINC000278484931	ref	5.02	-16.6	0	321.327	1.575	1	4	3	Cn1nccc1CC(=O)N1C[C@H](O)C[C@@H]1c1cc(F)ccc1F
343993818	ZINC000605434601	mid	2.87	-48.87	-1	232.214	2.179	1	3	2	O=C(Nc1c([O-])cccc1F)c1cccnc1
365633488	ZINC000625070467	ref	3.93	-10.22	0	305.346	2.071	0	3	2	Cc1ccc(S(=O)(=O)N2CCO[C@@H](C)[C@@H]2C)c(F)c1F
295666249	ZINC000151096966	ref	6.89	-7.49	0	255.383	2.425	0	3	2	CS[C@H]1CCCCN(C(=O)C2=COCCC2)C1
343993822	ZINC000625560795	ref	0.53	-11.46	0	215.278	0.274	1	4	4	C/C=C\CNS(=O)(=O)c1cnn(C)c1
214184505	ZINC000278485480	ref	7.74	-17.55	0	305.399	3.284	0	4	5	Cc1cc(C)cc(CS(=O)(=O)Cc2cnoc2C2CC2)c1
214184508	ZINC000278484898	ref	11.34	-106.86	2	324.472	3.397	2	2	6	C[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-n2cccn2)cc1
214184511	ZINC000278486399	ref	1.72	-11.95	0	308.743	1.299	2	5	7	O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NCCCCO
214184514	ZINC000278486399	mid	1.51	-47.49	-1	308.743	1.299	1	5	7	O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCCO
343993825	ZINC000235525445	ref	-2.21	-6.31	0	201.27	-0.174	3	4	3	C[C@H](O)C1CCN(C/C(N)=N/O)CC1
365639425	ZINC000354712681	ref	5.07	-17.08	0	266.366	1.336	1	3	4	Cc1ccc(CCC(=O)N[C@H]2CCN(C)C2=O)s1
187169376	ZINC000125093301	ref	4.1	-20.31	0	288.347	2.264	2	3	5	CC(=O)CCC(C)(C)C(=O)Nc1ccc2c(c1)C(=O)NC2
282122260	ZINC000533467973	ref	5.6	-12.03	0	261.329	1.03	1	6	2	Cc1nnc2c(N3CCC[C@H]([C@@H](C)O)C3)nccn12
282122265	ZINC000533469471	ref	2.45	-12.69	0	298.302	1.527	2	4	4	CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(C(N)=O)o1
187169377	ZINC000125101927	ref	5.12	-6.4	0	261.365	2.6	2	2	5	CCC[C@](C)(O)C(=O)NC1CC(c2ccccc2)C1
187169378	ZINC000125095226	ref	-2.81	-7.93	0	259.35	-0.223	3	4	6	CC[C@H](CO)NC(=O)NC[C@@H](C)N1CCOCC1
282122270	ZINC000533467814	ref	4.03	-10.91	0	260.341	1.864	2	4	2	Cc1nc(N2CCC[C@@H]([C@@H](C)O)C2)c2cc[nH]c2n1
282122275	ZINC000533467814	low	4.26	-26.1	1	260.341	1.864	2	3	2	Cc1nc2[nH]ccc2c(N2CCC[C@@H]([C@@H](C)O)C2)[nH+]1
342595251	ZINC000590775643	ref	7.41	-9.78	0	297.351	1.034	1	5	4	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C(=O)OC
197592295	ZINC000162793559	ref	9.97	-23.55	0	318.352	2.333	1	5	5	COc1ccc(CCC(=O)Nc2nnc3n2CCCC3)cc1F
187169379	ZINC000125095226	low	-0.64	-40.38	1	259.35	-0.223	4	3	6	CC[C@H](CO)NC(=O)NC[C@@H](C)[NH+]1CCOCC1
342595252	ZINC000590775776	ref	5.2	-16.05	0	262.353	1.594	2	3	7	N#CC1(CC(=O)N[C@@H](C2CC2)[C@@H](CO)C2CC2)CC1
342595253	ZINC000590775759	ref	5.41	-12.7	0	279.34	1.57	2	4	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1n[nH]cc1C
342595254	ZINC000590776253	ref	7.24	-15.51	0	281.356	1.009	0	5	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)Cc1ccn(C)n1
342595255	ZINC000590776065	ref	8.04	-9.38	0	289.335	1.613	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccc(C#N)cn1
342595256	ZINC000590776072	ref	9.33	-8.34	0	280.368	1.924	0	4	7	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCn1cccc1
187169380	ZINC000125100048	ref	6.02	-6.72	0	273.233	3.19	1	3	3	Cn1cc(NCc2cc(F)cc(C(F)(F)F)c2)cn1
342595257	ZINC000590775652	ref	7.61	-8.05	0	285.384	1.894	1	4	8	CC(C)OC(=O)[C@@H](NC(=O)[C@H](C)OCC1CC1)C(C)C
342595258	ZINC000590776315	ref	8.09	-17.94	0	266.341	1.726	0	4	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CC1(C#N)CC1
342595259	ZINC000590775806	ref	5.39	-9.78	0	282.365	1.995	1	5	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)c1nccs1
342595260	ZINC000590776333	ref	2.97	-6.27	0	275.414	1.422	2	4	6	COC[C@@](C)(O)C(=O)NC1CCC(CSC)CC1
342595261	ZINC000590776240	ref	7.18	-10.3	0	296.371	1.348	0	6	7	CCCn1cc(C(=O)N(C)[C@H](CC(C)C)C(=O)OC)nn1
323004472	ZINC000531119412	ref	5.07	-21.85	0	240.307	0.524	2	4	7	CC(C)CO[C@@H](C)C(=O)NCCc1nnc[nH]1
342595262	ZINC000590775654	ref	6.16	-11.85	0	298.383	1.091	1	4	7	CC(C)OC(=O)[C@@H](NC(=O)CCN1CCCC1=O)C(C)C
365633489	ZINC000565362195	ref	2.16	-56.39	1	266.301	1.104	3	4	6	CNc1ccc(C(=O)NCC[C@@H](C)[NH3+])cc1[N+](=O)[O-]
365633504	ZINC000172891558	ref	4.55	-35.89	1	281.352	1.551	0	5	6	COC[C@H]1CN(Cc2cc(OC)ccc2OC)CCO1
365633510	ZINC000172891558	low	4.17	-34.42	1	281.352	1.551	1	4	6	COC[C@H]1C[N@H+](Cc2cc(OC)ccc2OC)CCO1
342595263	ZINC000590776266	ref	3.06	-24.9	0	279.361	1.497	1	3	4	C=C[C@@H]1OCC[C@H]1NC(=O)c1cccc([S@@](C)=O)c1
342595264	ZINC000590775628	ref	5.3	-11.26	0	298.383	1.139	2	4	5	CCC(=O)N[C@H](C)C(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
365633516	ZINC000172891558	low	4.55	-35.89	1	281.352	1.551	1	4	6	COC[C@H]1C[N@@H+](Cc2cc(OC)ccc2OC)CCO1
365633522	ZINC000172889220	ref	1.84	-9.71	0	298.408	1.1	1	5	6	COC[C@@H]1CN([C@H](C)C(=O)NCc2cccs2)CCO1
365633534	ZINC000172888360	ref	2.74	-13.38	0	296.342	1.501	1	4	6	COC[C@H]1CN(CCC(=O)Nc2cccc(F)c2)CCO1
365633536	ZINC000172888360	mid	4.59	-52.81	1	296.342	1.501	2	3	6	COC[C@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CCO1
365633539	ZINC000172888360	mid	5.01	-50.22	1	296.342	1.501	2	3	6	COC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CCO1
365633543	ZINC000172890700	ref	5.1	-39.09	1	279.336	1.305	0	5	4	COC[C@H]1CN(Cc2cccc3c2OCCO3)CCO1
365633559	ZINC000172890700	low	4.71	-36.56	1	279.336	1.305	1	4	4	COC[C@H]1C[N@H+](Cc2cccc3c2OCCO3)CCO1
365633563	ZINC000172890700	low	5.1	-39.09	1	279.336	1.305	1	4	4	COC[C@H]1C[N@@H+](Cc2cccc3c2OCCO3)CCO1
365633569	ZINC000172889084	ref	3.84	-14.62	0	256.367	1.988	1	3	4	Cc1cc(C)cc(CS(=O)(=O)[C@H](C)[C@@H](C)O)c1
178305817	ZINC000062949150	low	8.3	-97.93	2	243.354	2.966	1	1	1	Cc1cc2[nH+]cn([C@@H]3CC[C@H](C)[NH2+]C3)c2cc1C
342595265	ZINC000590776233	ref	4.92	-12.97	0	285.384	1.585	1	4	6	CC[C@@H]1[C@H](CO)CCN1C(=O)CC(C)(C)CC(=O)OC
365633576	ZINC000172888803	ref	3.05	-8.82	0	283.324	1.222	0	6	5	COC[C@@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CCO1
365633580	ZINC000172888803	low	5.5	-46.38	1	283.324	1.222	1	5	5	COC[C@@H]1C[N@H+](Cc2cc(C(=O)OC)c(C)o2)CCO1
214184475	ZINC000053465576	ref	2.32	-16.65	0	345.852	0.623	0	5	2	Cn1cc(Cl)cc1C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1
365633587	ZINC000172888803	low	5.54	-46.62	1	283.324	1.222	1	5	5	COC[C@@H]1C[N@@H+](Cc2cc(C(=O)OC)c(C)o2)CCO1
342595266	ZINC000590776275	ref	4.73	-8.59	0	298.339	1.733	0	6	7	CCOc1nc(C(=O)N(C)[C@H](CC(C)C)C(=O)OC)co1
342595267	ZINC000590776231	ref	4.57	-11.61	0	285.384	1.585	1	4	6	CC[C@H]1[C@@H](CO)CCN1C(=O)CC(C)(C)CC(=O)OC
365633493	ZINC000336550675	ref	6.94	-18.58	0	260.341	2.116	0	4	3	CCn1ccnc1[C@H]1CCCCN1C(=O)[C@H](C)C#N
342078481	ZINC000608847172	ref	5.02	-18.04	0	293.323	1.687	2	4	5	CC(=O)NC(C)(C)C(=O)N[C@H](C)c1cccc([N+](=O)[O-])c1
342078482	ZINC000608847193	ref	4.41	-12.29	0	298.364	1.614	1	6	4	COC(=O)Cc1csc(NC(=O)C2(C)CCOCC2)n1
365633494	ZINC000336550675	low	7.36	-33.01	1	260.341	2.116	0	3	3	CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@H](C)C#N
342078483	ZINC000625293380	ref	5.9	-10.56	0	297.424	1.929	0	4	3	Cc1ncc(S(=O)(=O)N2CCC[C@H](C3CCC3)C2)n1C
342078484	ZINC000625294276	ref	4.04	-7.93	0	294.395	1.999	1	4	6	C[C@@H]([C@@H](C)NC(=O)C[C@@H](C)c1ccco1)N1CCOCC1
365633501	ZINC000336550675	high	6.94	-18.58	0	260.341	2.116	0	4	3	CCn1ccnc1[C@H]1CCCCN1C(=O)C(C)C#N
398248563	ZINC000649442912	ref	4.08	-42.95	1	203.285	1.598	2	1	3	OCCc1cccc(C2=CC[NH2+]CC2)c1
365633506	ZINC000336550181	ref	7.56	-14.15	0	292.354	2.008	0	2	2	CC(=O)N1CCN(C(=O)[C@H](C)c2ccccc2F)[C@H](C)C1
342078485	ZINC000625294276	mid	5.91	-41.06	1	294.395	1.999	2	3	6	C[C@@H]([C@@H](C)NC(=O)C[C@@H](C)c1ccco1)[NH+]1CCOCC1
365633515	ZINC000336550184	ref	3.98	-13.53	0	295.766	2.189	1	3	1	C[C@]1(O)CCN(C(=O)[C@H]2CCOc3ccc(Cl)cc32)C1
342078486	ZINC000608847894	ref	7.72	-16.65	0	299.374	1.988	1	3	6	C=CCN(Cc1cccc(C#N)c1)C(=O)C(C)(C)NC(C)=O
365633523	ZINC000336550734	ref	5.03	-15.55	0	288.347	2.034	1	3	3	CC(=O)N(C)c1cccc(NC(=O)[C@H]2C[C@]23CCOC3)c1
398248565	ZINC000649442874	ref	7.46	-45.35	1	247.725	2.846	1	1	1	O=C1CCc2c(Cl)cc(C3=CC[NH2+]CC3)cc21
365633526	ZINC000336550308	ref	10.17	-44.9	1	283.375	2.485	1	3	3	c1cn(-c2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2)cn1
365633528	ZINC000336550308	mid	10.17	-44.9	1	283.375	2.485	1	3	3	c1cn(-c2ccc(C[N@H+]3CCOCC4(CC4)C3)cc2)cn1
365633530	ZINC000336550308	low	10.68	-84.67	2	283.375	2.485	1	2	3	c1cn(-c2ccc(C[N@@H+]3CCOCC4(CC4)C3)cc2)c[nH+]1
365633542	ZINC000336550308	low	10.68	-84.41	2	283.375	2.485	1	2	3	c1cn(-c2ccc(C[N@H+]3CCOCC4(CC4)C3)cc2)c[nH+]1
365633546	ZINC000336550308	high	7.93	-7.27	0	283.375	2.485	0	4	3	c1cn(-c2ccc(CN3CCOCC4(CC4)C3)cc2)cn1
365633549	ZINC000336550655	ref	5.72	-11.43	0	263.247	2.497	1	3	3	C[C@H](C(=O)Nc1cncnc1)c1c(F)cccc1F
342078487	ZINC000046490579	ref	5.63	-17.62	0	286.335	1.513	0	5	1	O=C(c1cnn2cccnc12)N1CCO[C@H]2CCCC[C@H]21
398248568	ZINC000649442902	ref	3.86	-44.76	1	203.285	1.864	2	1	2	Cc1cc(CO)ccc1C1=CC[NH2+]CC1
365633495	ZINC000625069317	ref	5.2	-11.86	0	322.409	2.159	1	7	9	COCCCN(C)c1nnc(-c2ccc(CO)o2)n1CC(C)C
365633502	ZINC000625067711	ref	4.34	-10.2	0	319.373	2.461	0	3	2	Cc1ccc(S(=O)(=O)N2CCOC(C)(C)[C@@H]2C)c(F)c1F
197592305	ZINC000290093540	ref	2.86	-15.09	0	277.332	0.938	2	6	5	CC[C@@H](C)c1nnc([C@@H](C)NC(=O)c2cn(C)nn2)[nH]1
197592307	ZINC000290093540	mid	2.35	-12.55	0	277.332	0.938	2	6	5	CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cn(C)nn2)n[nH]1
187169381	ZINC000125101686	ref	3.24	-6.67	0	259.231	2.155	2	4	4	CC[C@H](O)CNc1nc(C(F)(F)F)ccc1C#N
342078488	ZINC000608846844	ref	4.18	-9.09	0	298.364	1.993	1	6	3	COC(=O)c1sc(NC(=O)C2(C)CCOCC2)nc1C
342078489	ZINC000617964366	ref	4.5	-13.55	0	271.32	1.927	1	4	4	CCO[C@@H]1C[C@@H](NC(=O)c2ccc3cccnc3n2)C1
197592325	ZINC000290091619	ref	6.16	-8.38	0	257.692	2.987	1	2	2	O=C(Nc1cccc(F)c1Cl)[C@@H]1CCCCO1
342078490	ZINC000625293242	ref	5.95	-17.98	0	284.4	1.566	1	3	7	CCC[C@@H](OCC)C(=O)NCC1CCN(C(C)=O)CC1
282122263	ZINC000151649400	ref	7.64	-18.23	0	324.371	2.416	1	2	6	O=C(Cc1ccc(F)c(F)c1)NCCCN1CCCCCC1=O
342078491	ZINC000608846948	ref	6.29	-14.34	0	273.336	1.431	1	3	4	CC(=O)NC(C)(C)C(=O)N(C)Cc1ccc(C#N)cc1
187169384	ZINC000125094072	ref	1.93	-10.79	0	283.299	1.294	2	4	7	COc1ccc(C(=O)CCC(=O)N[C@@H](C)CO)cc1F
282122276	ZINC000151653765	ref	6.99	-8.73	0	309.753	2.32	0	5	6	COCCN(Cc1ccco1)C(=O)c1nc(C)ncc1Cl
282122287	ZINC000151662518	ref	4.55	-7.52	0	307.39	2.033	1	4	6	COC[C@H](NC(=O)[C@@H]1COc2ccc(OC)cc2C1)C(C)C
342078492	ZINC000625293767	ref	5.77	-41.53	1	284.791	1.678	2	3	5	Cn1cc(Cl)c(C(=O)NCC[N@H+](C)C2CCCC2)n1
342078493	ZINC000625293767	mid	5.77	-41.64	1	284.791	1.678	2	3	5	Cn1cc(Cl)c(C(=O)NCC[N@@H+](C)C2CCCC2)n1
342078494	ZINC000608846779	ref	6.29	-20.5	0	291.307	1.399	1	4	3	CC(=O)NC(C)(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc21
342078495	ZINC000077826320	ref	5.75	-15.5	0	264.373	1.86	2	3	5	CC[C@@H](C)NC(=O)NCCc1cn2c(n1)CCCC2
342078496	ZINC000077826320	low	6.17	-33.7	1	264.373	1.86	2	2	5	CC[C@@H](C)NC(=O)NCCc1cn2c([nH+]1)CCCC2
342078497	ZINC000625293319	ref	7.98	-11.39	0	268.336	1.561	0	5	5	Cc1nnc(N2CCO[C@@H](CCF)C2)n1CC1CC1
342078498	ZINC000625294001	ref	4.96	-10.07	0	273.398	1.616	0	3	6	CCO[C@H](CS(=O)(=O)N1CC2CC1(C)C2)C1CC1
342078499	ZINC000625292895	ref	1.57	-24.04	0	297.38	1.052	2	5	5	CC[C@@H](NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)c1nc(C)cs1
398248564	ZINC000651460826	ref	8.26	-40.73	1	259.393	3.326	1	1	4	CCC1(C[NH2+][C@@H]2c3ccccc3CC[C@@H]2C)COC1
214184478	ZINC000053466939	ref	5.68	-17.74	0	341.342	4.128	3	3	4	CCOC(=O)Nc1ccc(NC(=O)c2cc3c(F)cccc3[nH]2)cc1
342595268	ZINC000590775679	ref	7.64	-11.51	0	283.368	1.817	1	4	7	C=CCCOCC(=O)N[C@H]1CCCCC[C@H]1C(=O)OC
342595269	ZINC000616959561	ref	2.6	-19.38	0	252.701	1.267	2	2	2	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c(Cl)c1
214184483	ZINC000053492349	ref	6.44	-21.12	0	342.403	1.235	2	5	4	C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(-n2cncn2)cc1
214184486	ZINC000053491412	ref	5.84	-15.25	0	343.349	2.517	2	2	6	O=C(NCCCN1CCCC1=O)NCc1ccc(C(F)(F)F)cc1
398248567	ZINC000651459008	ref	8.48	-7.17	0	294.439	3.166	1	2	5	COCCN(C(=O)NC1CC2(CCC2)C1)[C@@H]1CC[C@@H](C)C1
214184503	ZINC000053493322	ref	4.26	-10.67	0	348.424	2.524	2	5	4	COc1ccc(OC)c2c1CN(C(=O)NCc1cccs1)C[C@@H]2O
214184507	ZINC000053482959	ref	2.94	-30.2	0	336.413	1.968	0	5	4	CCS(=O)(=O)CC(=O)N1CCC[C@H](c2nc3ccccc3o2)C1
214184512	ZINC000053492058	ref	6.2	-15.68	0	329.4	2.806	2	3	6	C[C@@H](NC(=O)NCCCN1CCCC1=O)c1cc2ccccc2o1
214184516	ZINC000053492898	ref	5.21	-19.15	0	348.403	0.76	1	4	5	O=C1CCCN1CCCNC(=O)N1CCN(C(=O)c2ccco2)CC1
214184520	ZINC000053472668	ref	7.88	-12.27	0	331.803	3.167	1	3	3	Cn1cc(Cl)cc1C(=O)Nc1ccccc1C(=O)N1CCCC1
214184524	ZINC000053493220	ref	6.63	-42.97	1	346.475	1.935	3	2	7	CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCC(C(N)=O)CC1
214184528	ZINC000053477930	ref	10.67	-24.23	0	349.39	2.324	1	5	5	O=C1O[C@H](C(=O)NCCCn2cnc3ccccc32)Cc2ccccc21
214184533	ZINC000053492062	ref	7.35	-17.97	0	330.325	2.225	1	7	3	Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnc2sccn2c1=O
323004473	ZINC000531119412	mid	4.67	-16.88	0	240.307	0.524	2	4	7	CC(C)CO[C@@H](C)C(=O)NCCc1nc[nH]n1
214184537	ZINC000053467844	ref	6.06	-16.33	0	340.339	2.452	2	5	6	COc1cccc(CCNC(=O)c2[nH]nc3ccc([N+](=O)[O-])cc23)c1
342595270	ZINC000590775688	ref	7.44	-8.41	0	253.342	1.88	1	3	3	COC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C
342595271	ZINC000590776109	ref	6.4	-10.69	0	273.373	1.584	1	4	8	CCC[C@@H](O)CC(=O)N(C)[C@H](CC(C)C)C(=O)OC
342595272	ZINC000590775824	ref	3.48	-11.35	0	289.379	1.972	2	4	6	CC(C)[C@@H](CO)[C@H](NC(=O)c1cccc(C#N)n1)C(C)C
342595273	ZINC000590775913	ref	1.69	-11.49	0	274.32	1.497	2	4	3	CC[C@H]1[C@H](CO)CCN1C(=O)c1cc(O)cc(C#N)c1
178300987	ZINC000237166123	high	2.88	-55.1	1	359.474	1.84	4	3	4	CN1CCC(NC(=O)Nc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1
342595274	ZINC000590775913	mid	2.45	-38.03	-1	274.32	1.497	1	4	3	CC[C@H]1[C@H](CO)CCN1C(=O)c1cc([O-])cc(C#N)c1
187169385	ZINC000125095431	ref	7.5	-42.93	1	267.735	2.854	1	2	5	C[C@H](Cn1cccn1)[NH2+]Cc1cccc(Cl)c1F
342595275	ZINC000590776046	ref	7.52	-15.64	0	298.383	1.045	0	4	7	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCN1CCCC1=O
342595276	ZINC000590775777	ref	5.73	-16.46	0	262.353	1.594	2	3	7	N#CC1(CC(=O)N[C@@H](C2CC2)[C@H](CO)C2CC2)CC1
282122264	ZINC000248970248	mid	1.95	-11.34	0	312.454	1.231	3	3	6	C[C@H](O)C[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H](C)CO
412491686	ZINC000655152164	ref	0.95	-16.31	0	290.245	0.454	2	3	2	Cc1c[nH]nc1C(=O)N1C[C@H](C(N)=O)[C@@H](C(F)(F)F)C1
197592333	ZINC000162790491	ref	6.97	-44.08	1	308.382	1.908	2	4	8	CCCC[C@H](C[NH3+])NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C
342595277	ZINC000590775901	ref	5.08	-6.54	0	264.369	1.937	1	3	4	CN(CC(C)(C)CO)C(=O)[C@]1(C#N)CC12CCCC2
342595278	ZINC000590776122	ref	7.4	-15.82	0	295.383	1.57	0	5	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)c1cnn(C)c1
342595279	ZINC000590776073	ref	5.17	-14.54	0	293.294	1.686	1	4	4	C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc(C(=O)OC)c(F)c1
197592342	ZINC000162789280	ref	2.31	-16.02	0	320.389	1.603	3	4	4	O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H]1CC[C@@H](O)CC1
197592344	ZINC000162794257	ref	7.54	-12.74	0	324.446	2.075	0	5	4	CCc1noc(CC)c1CC(=O)N1CCS[C@H]2COCC[C@@H]21
197592346	ZINC000162798499	ref	3.75	-48.64	1	305.353	1.914	3	2	6	CCCC[C@@H](C[NH3+])NC(=O)c1cc(=O)[nH]c2cc(F)ccc12
187169386	ZINC000125095431	mid	6.13	-10.07	0	267.735	2.854	1	3	5	C[C@H](Cn1cccn1)NCc1cccc(Cl)c1F
187169387	ZINC000125093035	ref	4.32	-42.88	1	273.336	1.353	3	2	5	CC[N@H+](CC(=O)Nc1ccc2c(c1)C(=O)NC2)C1CC1
342595280	ZINC000616959587	ref	3.5	-23.33	0	298.745	1.761	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1cccc(Cl)c1F
187169388	ZINC000125093035	mid	4.42	-46.62	1	273.336	1.353	3	2	5	CC[N@@H+](CC(=O)Nc1ccc2c(c1)C(=O)NC2)C1CC1
187169389	ZINC000125093035	mid	2.36	-21.09	0	273.336	1.353	2	3	5	CCN(CC(=O)Nc1ccc2c(c1)C(=O)NC2)C1CC1
342595281	ZINC000590775900	ref	5.2	-9.85	0	264.369	1.937	1	3	4	CN(CC(C)(C)CO)C(=O)[C@@]1(C#N)CC12CCCC2
342595282	ZINC000590776083	ref	8.03	-9.42	0	297.395	1.849	0	4	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H]1CC12CCOCC2
365633509	ZINC000625069070	ref	6.88	-10.11	0	318.425	2.33	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)C[C@@H]1CCCCO1
365633518	ZINC000625068928	ref	6.98	-10.23	0	318.425	2.187	1	6	6	COC[C@H]1CCCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
365633538	ZINC000625068495	ref	6.63	-41.46	1	307.39	2.085	1	4	6	C[N@H+](CCOC1CCOCC1)Cc1ccc2c(c1)OCCO2
365633547	ZINC000625068495	mid	6.65	-41.68	1	307.39	2.085	1	4	6	C[N@@H+](CCOC1CCOCC1)Cc1ccc2c(c1)OCCO2
365633550	ZINC000625068495	high	4.27	-8.41	0	307.39	2.085	0	5	6	CN(CCOC1CCOCC1)Cc1ccc2c(c1)OCCO2
365633552	ZINC000625069117	ref	7.11	-9.97	0	318.425	2.185	1	6	5	CO[C@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC[C@H]1C
398248566	ZINC000650870662	ref	4.29	-8.69	0	270.373	1.622	1	3	4	CC[C@H]1CN(C(=O)NCC2(C)COC2)[C@@H](CC)CO1
365633555	ZINC000625069068	ref	6.6	-11.89	0	321.442	2.059	1	3	7	CCO[C@H](CS(=O)(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C1CC1
365633561	ZINC000625069645	ref	4.61	-7.92	0	313.41	2.497	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCO[C@@H](C)[C@@H]1C
365633567	ZINC000625069721	ref	3.33	-5.78	0	312.417	2.424	0	5	4	COc1cncc(CN2CCN(c3cccc(C)c3C)CC2)n1
365633571	ZINC000625069721	low	6.43	-42.53	1	312.417	2.424	1	4	4	COc1cncc(C[NH+]2CCN(c3cccc(C)c3C)CC2)n1
365633578	ZINC000625067978	ref	6.75	-10.87	0	318.425	2.33	1	6	5	CO[C@]1(C)CCCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
365633581	ZINC000625068982	ref	7.34	-10.85	0	318.425	2.328	1	6	5	CC[C@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C[C@@H](C)O1
365633585	ZINC000625069602	ref	7.38	-9.67	0	306.439	2.266	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCSC[C@H]1C
282122267	ZINC000248970248	mid	1.95	-11.34	0	312.454	1.231	2	4	6	C[C@H](O)CN(CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H](C)CO
178305819	ZINC000061448216	ref	8.98	-50.37	-1	234.259	1.23	0	6	5	Cc1cc2nnc(CCCCC(=O)[O-])n2cn1
282122272	ZINC000248970275	ref	4.92	-43.56	1	301.412	1.021	0	5	6	Cc1nccn1CCCN(C)S(=O)(=O)[C@H]1CCO[C@H]1C
282122280	ZINC000248970275	mid	4.92	-43.56	1	301.412	1.021	0	4	6	Cc1[nH+]ccn1CCCN(C)S(=O)(=O)[C@H]1CCO[C@H]1C
282122284	ZINC000248969618	ref	2.94	-14.01	0	300.399	1.831	2	4	5	CO[C@H](C)CNC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C
282122290	ZINC000248969567	ref	5.7	-18.07	0	318.373	1.03	1	4	3	C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@H](C)[C@H]2CO)C1=O
178305822	ZINC000128178925	ref	8.85	-10.89	0	206.264	3.013	0	2	3	Cc1cc2ncn(CCCF)c2cc1C
299072171	ZINC000567665162	high	4.0	-6.89	0	268.744	2.429	2	3	6	CCOc1cc(Cl)ccc1NC(=O)CNC1CC1
342078500	ZINC000608846745	ref	3.91	-13.96	0	259.309	1.089	2	3	4	CC(=O)NC(C)(C)C(=O)NCc1ccc(C#N)cc1
178300989	ZINC000237161066	ref	5.41	-52.69	1	359.451	1.802	1	3	4	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C
342078501	ZINC000625292826	ref	5.95	-17.31	0	284.4	1.422	1	3	6	CCO[C@H](C(=O)NCC1CCN(C(C)=O)CC1)C(C)C
187169393	ZINC000125097640	ref	6.58	-10.7	0	290.407	3.012	2	2	3	C[C@H]1C[C@@H](C)CCN(C(=O)NCCc2cccc(O)c2)C1
187169394	ZINC000125098589	ref	7.97	-44.59	1	293.773	3.38	1	2	3	Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(Cl)c1F
178300993	ZINC000237160857	ref	5.72	-56.64	1	373.375	1.226	1	3	6	COCC[NH2+]CC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
178300996	ZINC000237160857	high	4.37	-17.44	0	373.375	1.226	1	4	6	COCCNCC(=O)N1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1
187169395	ZINC000125098589	mid	6.61	-11.26	0	293.773	3.38	1	3	3	Cn1ncc2c1CCC[C@H]2NCc1cccc(Cl)c1F
178300998	ZINC000237155656	ref	7.61	-52.79	1	366.483	1.767	1	4	7	COC(=O)c1ccccc1CS(=O)(=O)N1CCC([NH2+]CC2CC2)CC1
187169396	ZINC000125098742	ref	6.79	-5.17	0	298.18	2.575	0	3	3	Brc1ccc2c(c1)CCN2CCC1OCCO1
178301000	ZINC000237175844	ref	6.78	-89.44	2	372.513	1.515	4	2	7	C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1
187169397	ZINC000125100242	ref	5.23	-10.92	0	267.394	2.581	2	3	6	CC[C@@H](SC)C(=O)N[C@H](C)Cc1ccc(O)cc1
187169398	ZINC000125091572	ref	3.34	-50.35	1	277.434	1.037	1	2	7	CCCN(C)S(=O)(=O)N(CCC)C1CC[NH2+]CC1
212166761	ZINC000335490402	ref	6.3	-11.0	0	264.373	2.091	1	3	3	CCn1ccc(CNC(=O)N2CC[C@@H](C)[C@@H](C)C2)n1
342078502	ZINC000625293161	ref	6.52	-15.15	0	286.326	1.955	1	4	4	Cc1nnc(CNC(=O)CC2CCC(F)(F)CC2)n1C
342078503	ZINC000625294160	ref	3.69	-39.55	1	279.38	1.63	3	3	8	COC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccccc1
342078504	ZINC000625294160	high	2.59	-5.72	0	279.38	1.63	3	4	8	COC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccccc1
342078505	ZINC000625294278	ref	3.9	-7.98	0	294.395	1.999	1	4	6	C[C@H](NC(=O)C[C@@H](C)c1ccco1)[C@H](C)N1CCOCC1
342078506	ZINC000625294278	mid	5.91	-40.3	1	294.395	1.999	2	3	6	C[C@H](NC(=O)C[C@@H](C)c1ccco1)[C@H](C)[NH+]1CCOCC1
342078507	ZINC000617964361	ref	5.23	-18.05	0	263.341	1.444	1	4	6	CCO[C@@H]1C[C@@H](NC(=O)Cn2cc(C3CC3)cn2)C1
398248569	ZINC000651460377	ref	6.73	-6.75	0	262.397	3.341	2	1	2	O=C(NC1CC2(CCC2)C1)NC12CCC(CC1)CC2
365633514	ZINC000354701711	ref	4.91	-10.74	0	298.452	1.309	0	4	3	CC[C@@H]1CN(C(=O)[C@@H]2CCSC2)C[C@H]1N1CCOCC1
365633521	ZINC000354701711	mid	7.12	-43.23	1	298.452	1.309	1	3	3	CC[C@@H]1CN(C(=O)[C@@H]2CCSC2)C[C@H]1[NH+]1CCOCC1
342595283	ZINC000590775892	ref	5.42	-15.64	0	293.363	1.493	1	4	6	COC(=O)Cc1cccc(C(=O)N(C)CC(C)(C)CO)c1
342595284	ZINC000616959586	ref	3.5	-19.64	0	298.745	1.761	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1cccc(Cl)c1F
365633524	ZINC000354703012	ref	6.5	-41.97	1	282.428	1.872	2	2	6	C[C@H](O)CCC[NH+]1CCC(CN2CCCCC2=O)CC1
365633527	ZINC000354702187	ref	3.87	-9.88	0	290.429	1.512	1	3	8	CN(CC1CC1)S(=O)(=O)NCCC[C@H]1CCCCO1
398248572	ZINC000651459454	ref	8.55	-8.71	0	297.402	3.213	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC=C(c2ccncc2)C1
365633529	ZINC000354703546	ref	3.19	-10.86	0	269.238	1.652	1	2	3	O=C(N1CC[C@](O)(C(F)(F)F)C1)C1(CCF)CC1
365633531	ZINC000354703707	ref	4.77	-16.7	0	281.352	1.866	1	2	4	O=C(C/C=C/c1ccccc1F)N[C@@H]1CC[S@](=O)C1
342595285	ZINC000590776185	ref	8.83	-11.15	0	285.384	1.848	0	4	8	COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@@H](C)OCC1CC1
342595286	ZINC000590775914	ref	1.56	-12.08	0	274.32	1.497	2	4	3	CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc(O)cc(C#N)c1
282123680	ZINC000449156106	ref	4.64	-42.96	1	272.295	2.3	2	2	6	CCC[NH2+][C@@H](C)C(=O)Nc1cc(F)cc(F)c1OC
342595287	ZINC000590775914	mid	2.31	-38.09	-1	274.32	1.497	1	4	3	CC[C@H]1[C@@H](CO)CCN1C(=O)c1cc([O-])cc(C#N)c1
192339521	ZINC000421444137	ref	8.54	-6.76	0	248.37	3.25	0	2	3	CCN(C(=O)c1ccc(C(C)(C)C)cn1)C(C)C
197592356	ZINC000290093473	ref	5.2	-10.45	0	272.732	1.47	0	4	7	COCCOCCN(C)C(=O)c1ccc(Cl)cn1
290622414	ZINC000357279190	ref	5.68	-8.21	0	307.419	2.121	2	4	2	C[C@H]1CC[C@@H]1NC(=O)C(=O)Nc1nc2c(s1)C[C@H](C)CC2
293078072	ZINC000292917488	mid	3.82	-5.18	0	342.281	2.387	0	4	6	CC(C)OCCN1CCN(Cc2ccnc(Br)c2)CC1
365633532	ZINC000354702769	ref	4.9	-15.48	0	281.308	1.104	0	5	5	COC[C@H]1CCN(C(=O)c2ccoc2CC(=O)OC)C1
365633533	ZINC000354703003	ref	1.32	-11.11	0	262.353	1.627	2	3	5	C[C@@H](O)CCCN1CC[C@@H](C(N)=O)c2ccccc21
323004500	ZINC000126915861	ref	7.1	-6.87	0	235.249	2.586	0	1	3	CC1(C)C[C@@H]1C(=O)N(CC(F)(F)F)C1CC1
349534625	ZINC000093275084	ref	-0.27	-15.01	0	282.344	0.911	3	5	3	CC(C)(C)n1cc(NC(=O)NC[C@]2(O)CCOC2)cn1
365633535	ZINC000354703378	ref	4.48	-13.99	0	299.318	1.912	1	4	6	CC[C@H](CC(F)(F)F)NS(=O)(=O)c1cncn1CC
214184484	ZINC000337623066	ref	3.75	-8.74	0	276.308	3.03	2	3	4	O=C(Nc1ccsc1)N[C@@H]1CCC[C@@H]1OC(F)F
343993821	ZINC000599269838	ref	5.48	-45.43	1	252.358	1.542	2	3	6	CCOC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1
214184489	ZINC000337623840	ref	-0.16	-24.81	0	286.238	0.53	4	4	4	CC(=O)Nc1cc(F)c(F)cc1NCC(=O)NC(N)=O
214184491	ZINC000337623738	ref	4.68	-10.79	0	283.318	2.49	2	2	5	C[C@H](CC(=O)NCC1(O)CCC1)c1ccc(F)cc1F
214184494	ZINC000337620892	ref	8.78	-18.69	0	290.75	3.315	1	3	5	CCc1cccnc1NC(=O)COc1ccccc1Cl
214184495	ZINC000337622902	ref	5.21	-16.72	0	277.311	2.412	1	3	7	CC(=O)CCCC(=O)N[C@H]1CCCC[C@H]1OC(F)F
214184497	ZINC000337620497	ref	1.34	-14.41	0	275.345	0.039	1	5	10	CN(CCOCCO)C(=O)CCOC[C@H]1CCCO1
342078508	ZINC000625293241	ref	5.96	-17.99	0	284.4	1.566	1	3	7	CCC[C@H](OCC)C(=O)NCC1CCN(C(C)=O)CC1
342078509	ZINC000625293167	ref	6.78	-10.05	0	292.383	1.594	0	6	6	CCOCc1nnc(N2CC3(CCCO3)C2)n1CC1CC1
342078510	ZINC000608848276	ref	7.87	-10.26	0	269.341	1.379	0	4	9	C=CCCOCC(=O)N(C[C@@H](C)C(=O)OC)C1CC1
342078511	ZINC000608846792	ref	4.74	-14.05	0	273.336	1.65	2	3	4	CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc(C#N)cc1
342078512	ZINC000625293769	ref	5.29	-18.25	0	269.304	1.908	2	3	2	Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(=O)[nH]cn1
342078513	ZINC000625293769	high	4.14	-44.83	-1	269.304	1.908	1	3	2	Cc1cccc2c1CC[C@@H]2NC(=O)c1cc(=O)[n-]cn1
214184499	ZINC000337622268	ref	4.76	-17.38	0	290.323	0.348	1	6	7	CN(CCOCCO)C(=O)c1cc(-n2ccnc2)ccn1
214184501	ZINC000337622268	low	5.28	-46.77	1	290.323	0.348	1	5	7	CN(CCOCCO)C(=O)c1cc(-n2cc[nH+]c2)ccn1
342078514	ZINC000608847167	ref	4.96	-18.7	0	293.323	1.168	2	4	6	CC(=O)NC(C)(C)C(=O)NCCc1ccc([N+](=O)[O-])cc1
214184504	ZINC000337623721	ref	2.55	-55.76	-1	280.328	0.248	1	4	6	CN(CCOCCO)C(=O)N=c1ccc(C2CC2)n[n-]1
214184506	ZINC000337623721	low	1.69	-19.93	0	280.328	0.248	2	4	6	CN(CCOCCO)C(=O)N=c1ccc(C2CC2)n[nH]1
214184509	ZINC000337623237	ref	8.02	-14.3	0	294.236	2.481	2	3	3	N#Cc1ccc(CC(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1
214184510	ZINC000337623237	mid	7.94	-13.36	0	294.236	2.481	2	3	3	N#Cc1ccc(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1
323004501	ZINC000393626171	ref	5.89	-34.9	1	214.397	2.743	1	1	9	CCCC[C@H](C)[C@H](C)[NH2+]CCN(C)CC
342078515	ZINC000625293024	ref	4.68	-9.16	0	275.414	1.862	0	3	4	CN(C[C@H]1CC1(C)C)S(=O)(=O)[C@@H]1COC(C)(C)C1
342078516	ZINC000625293317	ref	8.0	-11.92	0	268.336	1.561	0	5	5	Cc1nnc(N2CCO[C@H](CCF)C2)n1CC1CC1
365633537	ZINC000354703013	ref	6.51	-41.91	1	282.428	1.872	2	2	6	C[C@@H](O)CCC[NH+]1CCC(CN2CCCCC2=O)CC1
342595288	ZINC000590776248	ref	5.58	-11.59	0	272.348	1.72	1	3	4	CC[C@H]1[C@@H](CO)CCN1C(=O)Cc1cccc(C#N)c1
365633540	ZINC000639790106	ref	5.31	-11.09	0	267.398	1.977	0	4	4	CN(CC(=O)N1CCCCCC1)Cc1ccns1
295666255	ZINC000412987430	ref	8.37	-14.35	0	303.362	2.822	0	4	3	Cc1cnc(S[C@@H]2CCN(c3ccc(F)cc3)C2=O)nc1
342595289	ZINC000590776188	ref	8.7	-12.9	0	285.384	1.848	0	4	8	COC(=O)[C@@H](CC(C)C)N(C)C(=O)[C@H](C)OCC1CC1
342595290	ZINC000590776291	ref	5.0	-9.09	0	268.313	1.643	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1coc(C)n1
342595291	ZINC000590776251	ref	5.88	-12.41	0	272.348	1.72	1	3	4	CC[C@@H]1[C@H](CO)CCN1C(=O)Cc1cccc(C#N)c1
197592366	ZINC000162797057	ref	4.21	-10.39	0	312.797	3.116	2	3	4	COc1ccc(Cl)c(NC(=O)N2CCC[C@H]2C[C@@H](C)O)c1
342595292	ZINC000590775767	ref	4.56	-9.1	0	285.347	1.48	2	4	6	N#Cc1cccc(C(=O)N[C@H](C2CC2)[C@@H](CO)C2CC2)n1
342595293	ZINC000590776026	ref	3.08	-16.1	0	279.361	1.497	1	3	4	C=C[C@@H]1OCC[C@H]1NC(=O)c1ccc([S@](C)=O)cc1
342595294	ZINC000590775664	ref	7.1	-8.64	0	271.357	1.671	1	4	9	C=CCCOCC(=O)N[C@H](C(=O)OC(C)C)C(C)C
214184513	ZINC000337620959	ref	6.69	-8.76	0	279.262	2.428	2	3	5	CC[C@H](C)[C@H](OC)C(=O)Nc1nc(C(F)(F)F)c[nH]1
342595295	ZINC000590776235	ref	4.59	-12.68	0	285.384	1.585	1	4	6	CC[C@@H]1[C@@H](CO)CCN1C(=O)CC(C)(C)CC(=O)OC
214184515	ZINC000337620959	mid	6.61	-8.15	0	279.262	2.428	2	3	5	CC[C@H](C)[C@H](OC)C(=O)Nc1ncc(C(F)(F)F)[nH]1
342595296	ZINC000590776305	ref	8.25	-13.84	0	295.383	1.492	0	5	7	CCn1cc(CC(=O)N(C)[C@H](CC(C)C)C(=O)OC)cn1
365633541	ZINC000639790106	low	7.6	-46.27	1	267.398	1.977	1	3	4	C[N@H+](CC(=O)N1CCCCCC1)Cc1ccns1
365633545	ZINC000639790106	low	7.59	-46.26	1	267.398	1.977	1	3	4	C[N@@H+](CC(=O)N1CCCCCC1)Cc1ccns1
342595297	ZINC000590776039	ref	9.43	-40.87	1	286.416	1.764	1	3	9	COC(=O)[C@@H](CC(C)C)N(C)C(=O)CCCC[NH+](C)C
342595298	ZINC000590775770	ref	4.46	-8.8	0	285.347	1.48	2	4	6	N#Cc1cccc(C(=O)N[C@@H](C2CC2)[C@@H](CO)C2CC2)n1
342595299	ZINC000590775653	ref	7.61	-8.07	0	285.384	1.894	1	4	8	CC(C)OC(=O)[C@@H](NC(=O)[C@@H](C)OCC1CC1)C(C)C
214184518	ZINC000337622068	ref	4.55	-9.75	0	277.368	2.257	2	3	4	CC(C)CNC(=O)N[C@@H]1CCCO[C@@H]1c1ccncc1
342595300	ZINC000590775910	ref	1.56	-13.28	0	262.309	1.354	2	4	4	CN(CC(C)(C)CO)C(=O)c1cc(O)cc(C#N)c1
342595301	ZINC000590775910	mid	2.32	-38.45	-1	262.309	1.354	1	4	4	CN(CC(C)(C)CO)C(=O)c1cc([O-])cc(C#N)c1
178301002	ZINC000237175844	high	4.31	-45.66	1	372.513	1.515	3	3	7	CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1
178301005	ZINC000237167761	ref	5.36	-44.53	1	365.518	1.69	2	3	7	COCCC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCC1
178301007	ZINC000237174754	ref	2.37	-57.17	1	350.44	1.69	2	4	9	COCCOc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1
178301009	ZINC000237174754	high	2.02	-12.05	0	350.44	1.69	2	5	9	COCCOc1ccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)cc1
178301012	ZINC000237164330	ref	5.08	-46.53	1	357.248	1.585	1	3	6	COCC[NH2+]CC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1
178301014	ZINC000237164330	high	3.73	-10.26	0	357.248	1.585	1	4	6	COCCNCC(=O)N1CCO[C@@H](c2ccc(Br)cc2)C1
178301015	ZINC000237175682	ref	5.24	-46.69	1	357.414	1.171	1	6	3	C[NH2+]C1CCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)CC1
178301019	ZINC000237156872	ref	8.1	-58.09	-1	355.188	1.345	0	4	4	CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1
178301021	ZINC000237172920	ref	5.5	-45.98	1	373.906	1.418	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)C1
187169399	ZINC000125094568	ref	2.9	-10.1	0	256.252	1.664	2	3	5	COc1cc(F)c(NCC(=O)NC2CC2)cc1F
187169400	ZINC000125096347	ref	3.55	-53.13	-1	253.273	1.518	1	3	2	C[C@]1(CO)CCCN1C(=O)c1c([O-])cccc1F
178301023	ZINC000237169609	ref	6.64	-41.92	1	350.459	1.402	3	5	9	COC(=O)COc1c(C)cc(CNC[C@@H](O)C[NH+]2CCCC2)cc1C
178301025	ZINC000237169609	mid	8.07	-119.8	2	350.459	1.402	3	4	9	COC(=O)COc1c(C)cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C
342595302	ZINC000590776005	ref	5.54	-19.82	0	280.324	1.447	1	4	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccc[nH]c1=O
187169401	ZINC000125096347	mid	2.77	-13.01	0	253.273	1.518	2	3	2	C[C@]1(CO)CCCN1C(=O)c1c(O)cccc1F
342595303	ZINC000590776249	ref	5.54	-12.21	0	272.348	1.72	1	3	4	CC[C@H]1[C@H](CO)CCN1C(=O)Cc1cccc(C#N)c1
342595304	ZINC000590776313	ref	6.47	-7.95	0	270.354	1.803	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1nccs1
178301027	ZINC000237156838	ref	7.46	-52.63	-1	355.188	1.345	0	4	4	CN(CC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1
187169402	ZINC000125099482	ref	8.94	-45.38	1	267.735	2.854	1	2	5	C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1F
178301029	ZINC000237177838	ref	8.39	-59.76	1	363.483	1.611	1	6	8	COc1ccccc1SC[C@@H](C)C[NH2+]Cc1cn(C)c(=O)n(C)c1=O
342595305	ZINC000590776043	ref	6.97	-10.61	0	294.351	1.75	0	5	6	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1cc(OC)ccn1
365633548	ZINC000617415483	ref	5.58	-45.25	1	281.4	0.892	3	2	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCC[N@H+](C)C1
342595306	ZINC000590776108	ref	6.41	-10.73	0	273.373	1.584	1	4	8	CCC[C@H](O)CC(=O)N(C)[C@H](CC(C)C)C(=O)OC
342600500	ZINC000616999523	ref	3.55	-39.96	1	294.399	1.279	2	4	4	COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nn1C
365633554	ZINC000617415483	mid	5.06	-43.68	1	281.4	0.892	3	2	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCC[N@@H+](C)C1
365633557	ZINC000617415483	mid	2.7	-8.78	0	281.4	0.892	2	3	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N[C@H]1CCCN(C)C1
365633564	ZINC000617415920	ref	4.1	-45.38	1	272.399	0.841	2	5	4	C[N@@H+]1CCC[C@@H](NC(=O)CSc2nncs2)C1
365633573	ZINC000617415920	mid	3.56	-44.14	1	272.399	0.841	2	5	4	C[N@H+]1CCC[C@@H](NC(=O)CSc2nncs2)C1
365633577	ZINC000617415920	mid	1.21	-9.86	0	272.399	0.841	1	6	4	CN1CCC[C@@H](NC(=O)CSc2nncs2)C1
365633584	ZINC000617423387	ref	3.67	-17.76	0	282.344	0.843	1	6	8	COCCCOCCC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365633592	ZINC000617423546	ref	3.8	-17.18	0	273.3	0.491	1	7	4	C=CCn1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)nn1
349534626	ZINC000621233693	ref	6.47	-10.19	0	283.412	2.465	0	3	6	CO[C@H]1CC[C@H](C(=O)N2CC[C@@H](OCCC(C)C)C2)C1
349534630	ZINC000621233665	ref	5.93	-12.71	0	282.409	2.349	0	4	6	CC(C)CCO[C@@H]1CCN(C(=O)Cc2cscn2)C1
197592373	ZINC000290091383	ref	6.24	-42.68	1	283.375	2.384	2	1	1	O=C(c1cccc2cc[nH]c12)N1CCC[C@@]2(CC[NH2+]C2)C1
342600501	ZINC000616999523	mid	3.49	-39.77	1	294.399	1.279	2	4	4	COc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)nn1C
365633602	ZINC000617415813	ref	3.45	-47.27	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCC[N@H+](C)C1
365633607	ZINC000617415813	mid	3.97	-48.79	1	279.34	0.608	3	3	4	C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCC[N@@H+](C)C1
342600502	ZINC000616999792	ref	5.36	-41.99	1	281.425	1.922	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cncs2)C1
342600503	ZINC000616999792	mid	5.42	-42.38	1	281.425	1.922	2	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2cncs2)C1
365633612	ZINC000617415813	mid	1.09	-12.02	0	279.34	0.608	2	4	4	C[C@H](NC(=O)c1ccoc1)C(=O)N[C@@H]1CCCN(C)C1
342600504	ZINC000590840971	ref	4.93	-12.69	0	283.347	1.839	1	3	2	CC1(C)C[C@H](CNC(=O)N2CC[C@](F)(C#N)C2)CCO1
365633617	ZINC000617424197	ref	5.7	-46.67	1	263.345	0.74	2	4	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2ncnn21
365633622	ZINC000617424197	mid	5.95	-45.88	1	263.345	0.74	2	4	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2ncnn21
365633626	ZINC000617418352	ref	3.41	-24.48	0	286.353	0.662	0	4	4	CN(Cc1ccoc1)C(=O)[C@H]1CCCN1S(C)(=O)=O
342078517	ZINC000625292856	ref	7.6	-9.79	0	250.346	1.469	0	5	5	Cc1nnc(N(C)CC2(C)COC2)n1CC1CC1
187169403	ZINC000125099482	low	9.46	-105.56	2	267.735	2.854	1	1	5	C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1F
187169404	ZINC000125099482	high	7.7	-7.97	0	267.735	2.854	1	3	5	C[C@@H](Cn1ccnc1)NCc1cccc(Cl)c1F
282122271	ZINC000265349124	ref	9.28	-38.35	1	348.512	2.881	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CCO1
282122289	ZINC000265349124	high	6.79	-7.05	0	348.512	2.881	0	4	5	CN(C)C[C@@H]1CN(C(=O)C2(Sc3ccccc3)CCCC2)CCO1
342078518	ZINC000608847525	ref	4.27	-14.5	0	279.296	1.126	2	4	5	CC(=O)NC(C)(C)C(=O)NCc1ccccc1[N+](=O)[O-]
282122301	ZINC000410578750	ref	5.31	-37.97	1	295.383	-0.214	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]32)CCO1
343993826	ZINC000599269838	high	3.16	-10.67	0	252.358	1.542	1	4	6	CCOC1CCN(C[C@H](O)CC2(C#N)CC2)CC1
365633556	ZINC000336550423	ref	5.72	-48.92	1	290.338	2.371	2	2	3	C[C@@H]1C[C@H](NC(=O)Cc2coc3cc(F)ccc23)CC[NH2+]1
282122321	ZINC000410578750	high	2.82	-7.56	0	295.383	-0.214	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]32)CCO1
342078519	ZINC000608847435	ref	4.95	-11.77	0	257.33	1.215	0	4	5	CCN(CCC(=O)OC)C(=O)C1(C)CCOCC1
342078520	ZINC000625293740	ref	5.3	-40.11	1	277.372	1.217	2	4	6	C[N@H+](CCNC(=O)c1cn(C2CC2)nn1)C1CCCC1
187169405	ZINC000125096118	ref	3.7	-17.37	0	296.392	0.779	2	4	5	C[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)Cc1cccs1
187169406	ZINC000125100614	ref	6.55	-10.1	0	294.351	2.017	1	5	6	CCOC(=O)CCCNC(=O)c1noc2c1CCCCC2
342078521	ZINC000625293740	mid	5.3	-40.08	1	277.372	1.217	2	4	6	C[N@@H+](CCNC(=O)c1cn(C2CC2)nn1)C1CCCC1
342078522	ZINC000625294161	ref	2.4	-39.53	1	279.38	1.63	3	3	8	COC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccccc1
342078523	ZINC000625294161	high	1.25	-6.17	0	279.38	1.63	3	4	8	COC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccccc1
342088357	ZINC000046825202	ref	3.73	-13.03	0	256.252	1.171	1	2	3	C[C@H](NC(=O)c1c(F)cccc1F)C(=O)N(C)C
342088358	ZINC000121260014	ref	5.48	-96.08	2	297.443	1.134	3	2	6	C[C@H]1C[N@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342088359	ZINC000121260014	mid	5.44	-95.78	2	297.443	1.134	3	2	6	C[C@H]1C[N@@H+](CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342088360	ZINC000121260014	high	3.02	-44.55	1	297.443	1.134	2	3	6	C[C@H]1CN(CCCCNC(=O)[C@]2(C)CCC[NH2+]2)C[C@@H](C)O1
342088361	ZINC000121435000	ref	9.01	-15.32	0	267.332	1.585	1	3	4	O=C(Cn1ccnc1)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21
342595307	ZINC000590776992	low	1.75	-17.35	0	271.32	1.363	2	4	5	N#CC1CN(C[C@@H](O)COc2cccc3[nH]ccc23)C1
365633562	ZINC000336550598	ref	3.23	-10.04	0	270.214	2.373	1	4	3	Cc1cc(C(=O)Nc2cncc(F)c2)nn1C(F)F
365633568	ZINC000336550231	ref	5.27	-10.25	0	279.405	2.393	1	3	3	CSCc1ccc(C(=O)N2C[C@H](O)C(C)(C)C2)cc1
342595308	ZINC000590777099	low	3.85	-13.8	0	286.375	1.897	1	4	5	N#CC1CN(C[C@H](O)CO[C@@H]2CCCc3ccccc32)C1
365633572	ZINC000336550464	ref	2.77	-15.41	0	259.309	2.155	3	2	1	C[C@@H]1C[C@@H](O)CN1C(=O)Nc1ccc2cc[nH]c2c1
365633579	ZINC000336550495	ref	3.11	-14.33	0	265.704	2.088	3	3	3	Cc1n[nH]cc1CNC(=O)Nc1ccc(Cl)cn1
365633586	ZINC000336550495	mid	3.06	-13.99	0	265.704	2.088	3	3	3	Cc1[nH]ncc1CNC(=O)Nc1ccc(Cl)cn1
365633593	ZINC000336550670	ref	5.12	-11.73	0	270.336	2.133	1	3	2	Cc1cc(C(=O)N2CCC(c3cc[nH]n3)CC2)ccn1
342595309	ZINC000590776946	low	4.24	-13.59	0	274.28	1.379	1	5	5	N#CC1CN(CCC(=O)Nc2ccccc2[N+](=O)[O-])C1
342595310	ZINC000616962737	low	3.46	-17.29	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cc(F)ccc1F
342595311	ZINC000590777016	low	4.74	-51.5	1	267.373	1.472	3	2	4	CC(C)[C@H]1[N@H+](CCC(=O)NC(N)=O)CC12CCCC2
365633599	ZINC000336550636	ref	6.99	-14.58	0	291.351	2.484	0	4	2	CSc1c(C(=O)N2CCc3ccc(F)cc32)cnn1C
365633604	ZINC000336550614	ref	3.83	-11.98	0	291.376	2.198	1	5	3	Cc1ccc(Cc2noc([C@]3(C)CCCNC3=O)n2)s1
342595312	ZINC000590777016	low	4.4	-51.3	1	267.373	1.472	3	2	4	CC(C)[C@H]1[N@@H+](CCC(=O)NC(N)=O)CC12CCCC2
342595313	ZINC000590777120	low	3.03	-13.27	0	260.337	1.499	1	4	5	Cc1cccc(C)c1OC[C@@H](O)CN1CC(C#N)C1
365633610	ZINC000336550153	ref	6.39	-7.39	0	269.41	2.301	0	3	1	CC1(C(=O)N2CCSC3(CCOCC3)C2)CCC1
365633618	ZINC000336550710	ref	5.71	-7.97	0	260.337	2.21	0	3	3	CO[C@@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1
290622416	ZINC000492521831	ref	6.02	-11.45	0	258.321	2.114	0	3	3	COc1cncc(/C=C/C(=O)N2C[C@@H]3CCC[C@@H]32)c1
290622418	ZINC000492519893	ref	5.93	-12.9	0	258.321	2.257	0	3	3	COc1cncc(/C=C\C(=O)N2C3CCC2CC3)c1
365633625	ZINC000336550420	ref	5.71	-48.92	1	290.338	2.371	2	2	3	C[C@H]1C[C@@H](NC(=O)Cc2coc3cc(F)ccc23)CC[NH2+]1
342595314	ZINC000590776666	low	3.38	-17.06	0	281.377	1.721	1	3	4	CO[C@@H]1CCC[C@H]1NC(=O)c1ccc([S@](C)=O)cc1
342595315	ZINC000590777086	low	2.1	-15.38	0	266.728	1.535	1	4	5	N#CC1CN(C[C@H](O)COc2ccccc2Cl)C1
214184519	ZINC000337622229	ref	7.74	-8.86	0	283.375	3.461	2	2	5	O=C(N[C@H](CC1CCCC1)c1ccccc1)c1ccn[nH]1
214184522	ZINC000337621870	ref	6.37	-9.18	0	287.338	3.051	1	3	4	Cc1cc(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)cnn1
282122273	ZINC000449153343	ref	7.08	-47.45	1	252.402	2.41	1	1	3	CC(C)N1C[C@@H]([NH2+][C@H]2C[C@H](C)CC[C@@H]2C)CC1=O
214184526	ZINC000337624102	ref	3.94	-11.18	0	259.302	0.44	1	5	9	CCOC(=O)[C@H](CCOC)NC(=O)CCC(C)=O
342078524	ZINC000172511324	ref	1.53	-11.4	0	255.362	1.518	3	2	5	CCC(CC)NC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1
343993828	ZINC000079911546	ref	7.56	-7.9	0	286.375	2.128	1	2	5	CCC[C@@H]1C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc21
342078525	ZINC000608852505	ref	5.94	-10.67	0	283.368	1.605	0	4	3	CCOC(=O)C1CCN(C(=O)C2(C)CCOCC2)CC1
214184530	ZINC000337622901	ref	4.8	-16.4	0	277.311	2.412	1	3	7	CC(=O)CCCC(=O)N[C@H]1CCCC[C@@H]1OC(F)F
214184532	ZINC000337621933	ref	4.67	-9.93	0	297.358	2.259	2	3	4	O=C(N[C@H]1CCOC1)N[C@H](c1ccccc1)c1ccccn1
343993832	ZINC000079919329	ref	1.82	-10.56	0	273.336	2.336	1	5	7	OCCCN(Cc1nnc(C2CC2)o1)c1ccccc1
187169407	ZINC000125094878	ref	0.56	-13.22	0	257.315	0.22	1	4	4	Cc1ccc(NC(=O)CN(C)S(C)(=O)=O)cn1
214184536	ZINC000337624096	ref	9.75	-16.27	0	279.343	3.078	1	3	4	CCc1cccc(CC(=O)Nc2cccc3nccn23)c1
342078526	ZINC000625295837	ref	-0.79	-15.02	0	286.238	1.53	1	6	6	CCc1nc(CCNC(=O)c2ocnc2C(F)F)no1
214184538	ZINC000337624096	low	10.24	-33.43	1	279.343	3.078	1	2	4	CCc1cccc(CC(=O)Nc2cccc3[nH+]ccn23)c1
214184540	ZINC000337624229	ref	4.15	-22.14	0	291.355	0.964	1	5	5	COCCn1ccc(=NC(=O)[C@H](C)n2nc(C)cc2C)[nH]1
342078527	ZINC000625295752	ref	4.47	-41.94	1	250.342	1.928	1	3	6	C[C@@H]([NH2+]CCOC1CCOCC1)c1cccnc1
342078528	ZINC000625295752	high	3.31	-7.25	0	250.342	1.928	1	4	6	C[C@@H](NCCOC1CCOCC1)c1cccnc1
342078529	ZINC000608853456	ref	7.7	-19.87	0	270.336	1.994	1	4	5	CCC[C@@H](C#N)NC(=O)Cc1cn2cccc(C)c2n1
342078530	ZINC000608853456	low	7.99	-36.48	1	270.336	1.994	1	3	5	CCC[C@@H](C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1
214184543	ZINC000337622188	ref	4.42	-13.34	0	285.344	0.202	1	4	5	CCOC(=O)CCCNC(=O)N1CC(=O)N(C)[C@H](C)C1
342078531	ZINC000608853721	ref	1.7	-14.57	0	251.311	1.269	2	4	5	CCC[C@@H](C#N)NC(=O)c1ccc(C(N)=O)s1
342078532	ZINC000625295885	ref	5.35	-48.59	1	250.346	1.035	2	3	3	CCn1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c(C)n1
342595316	ZINC000616959706	low	1.9	-17.4	0	279.365	1.419	2	4	3	O=C(N[C@@H]1CCNC1=O)c1scnc1C1CCCC1
187169408	ZINC000125095605	ref	5.45	-7.97	0	285.347	3.104	1	4	4	C[C@@H](NC(=O)C1CCCC1)c1noc(-c2ccccc2)n1
342595317	ZINC000616959781	low	3.05	-19.65	0	266.728	1.575	2	2	2	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c(Cl)c1C
197592405	ZINC000162795863	ref	7.56	-46.9	1	324.509	3.112	2	2	8	CCCCO[C@@H]1C[C@H](NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1(C)C
342595318	ZINC000590776664	low	4.89	-13.79	0	271.357	1.649	1	4	6	COC(=O)CC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1OC
214184521	ZINC000278486077	ref	1.84	-12.97	0	315.377	1.534	3	5	8	COCCNc1ccccc1CNC(=O)NCc1cccnn1
187169409	ZINC000125091697	ref	3.83	-13.84	0	283.343	2.262	2	3	9	CC[C@H](O)CCNC(=O)CCCOc1ccc(F)cc1
342595319	ZINC000590777107	low	3.34	-13.33	0	265.263	1.749	1	3	4	N#CC1CN(CCC(=O)Nc2cc(F)cc(F)c2)C1
342595320	ZINC000590776458	low	8.58	-9.93	0	280.368	1.993	0	4	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1ccn(C)c1C
342595321	ZINC000590777028	low	1.26	-15.68	0	276.336	1.028	1	5	7	COc1ccc(COC[C@H](O)CN2CC(C#N)C2)cc1
255763844	ZINC000273558940	ref	4.18	-15.48	0	357.41	2.742	3	4	5	CCN1C(=O)CCc2cc(NC(=O)NC[C@@H](O)c3ccc(C)o3)ccc21
282122274	ZINC000183878118	ref	4.03	-54.75	1	342.461	1.964	2	4	8	CCC(CC)(C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC
342595322	ZINC000590776888	low	4.57	-22.69	0	288.369	1.055	0	6	6	CCOC(=O)c1cc(CC)n(C[C@@H](C)S(C)(=O)=O)n1
342595323	ZINC000590776491	low	7.82	-19.51	0	294.307	1.393	0	5	6	CCN(C(=O)Cc1ccc(OC)c([N+](=O)[O-])c1)C1COC1
299072172	ZINC000459275378	ref	5.79	-8.99	0	309.435	2.551	1	4	4	CO[C@H]1C[C@@H](NC(=O)N(C)Cc2scnc2C)C12CCC2
299072176	ZINC000459274528	ref	3.82	-9.55	0	314.323	2.514	3	2	6	CC[C@H](NC(=O)NC1CCC(C(F)F)CC1)[C@@H](O)C(F)F
282122279	ZINC000183878118	high	3.12	-12.28	0	342.461	1.964	2	5	8	CCC(CC)(CN[C@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC
282122285	ZINC000424410282	ref	5.25	-44.02	0	270.373	1.524	2	3	6	CCC(CC)(C[NH2+][C@H]1CCC(=O)NC1(C)C)C(=O)[O-]
282122291	ZINC000263079014	ref	6.56	-42.09	0	297.317	2.577	1	3	6	CCC(CC)(C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)C(=O)[O-]
282122299	ZINC000422797716	ref	7.05	-37.46	1	316.489	3.101	2	2	8	CCC(CC)(C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1)c1ccccc1
282122313	ZINC000422797716	low	8.42	-118.08	2	316.489	3.101	2	1	8	CCC(CC)(C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1
342595324	ZINC000616959755	low	2.5	-20.06	0	258.277	1.36	2	3	2	Cc1oc2ccccc2c1C(=O)N[C@@H]1CCNC1=O
178301032	ZINC000237159051	ref	4.34	-50.9	1	353.488	1.203	2	3	8	C[NH2+]CCCC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
178301034	ZINC000237165880	ref	5.32	-41.15	-1	363.151	1.893	1	4	4	COc1ccc(C(=O)NC(C)(C)C(=O)[O-])c(I)c1
187169410	ZINC000125097997	ref	5.73	-10.0	0	298.333	2.644	1	3	4	COc1cc(F)c(NCC(=O)N2CCC[C@H](C)C2)cc1F
178301036	ZINC000237167909	ref	5.95	-55.3	1	364.486	1.792	2	5	9	COC(=O)COc1c(C)cc(C[NH2+]CCCN2CCC(O)CC2)cc1C
187169411	ZINC000125091809	ref	5.94	-54.33	1	278.249	2.022	1	1	4	CN(C)C(=O)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
178301038	ZINC000237167909	mid	8.31	-125.43	2	364.486	1.792	3	4	9	COC(=O)COc1c(C)cc(C[NH2+]CCC[NH+]2CCC(O)CC2)cc1C
187169412	ZINC000125091809	mid	4.6	-10.28	0	278.249	2.022	1	2	4	CN(C)C(=O)CNCc1cc(F)cc(C(F)(F)F)c1
187169413	ZINC000125092178	ref	3.69	-10.49	0	253.367	2.299	2	3	6	CC[C@H](O)CCNC(=O)c1ccc(SC)cc1
187169414	ZINC000125099055	ref	6.43	-10.18	0	281.762	3.372	1	3	4	Cc1c([C@@H](C)NCc2cccc(Cl)c2F)cnn1C
187169415	ZINC000125099055	mid	7.56	-44.38	1	281.762	3.372	1	2	4	Cc1c([C@@H](C)[NH2+]Cc2cccc(Cl)c2F)cnn1C
342595325	ZINC000590776851	low	5.39	-41.82	1	295.379	1.797	2	4	9	CCOC(=O)CC[C@@H](O)C[NH2+]Cc1cc(C)ccc1OC
342595326	ZINC000590776851	high	3.94	-8.01	0	295.379	1.797	2	5	9	CCOC(=O)CC[C@@H](O)CNCc1cc(C)ccc1OC
178301040	ZINC000237167909	mid	6.96	-44.58	1	364.486	1.792	3	5	9	COC(=O)COc1c(C)cc(CNCCC[NH+]2CCC(O)CC2)cc1C
342595327	ZINC000590776374	low	7.29	-36.75	1	258.431	1.974	2	2	5	CSCC1CCC(NC(=O)[C@H](C)[NH+](C)C)CC1
178301042	ZINC000237168651	ref	4.24	-51.29	1	373.544	1.581	2	4	9	C[NH2+]CCCC(=O)NCCc1ccc(S(=O)(=O)N2CCCCC2)s1
178301045	ZINC000237154856	ref	6.61	-56.77	1	354.476	1.998	2	6	8	COC(=O)CCCc1nnc(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)s1
178301047	ZINC000237157869	ref	6.44	-59.73	1	353.85	1.251	1	3	6	COCC[NH2+]CC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1
342595328	ZINC000590777017	low	4.17	-51.13	1	267.373	1.472	3	2	4	CC(C)[C@@H]1[N@H+](CCC(=O)NC(N)=O)CC12CCCC2
178301049	ZINC000237157869	high	5.09	-16.64	0	353.85	1.251	1	4	6	COCCNCC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1
214184525	ZINC000278485068	ref	5.78	-18.0	0	319.879	2.778	1	3	6	C[C@@H](CC[S@@](C)=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1
192339526	ZINC000421441802	ref	4.44	-16.36	0	238.331	1.207	2	2	6	CC[C@H](C)NC(=O)CCNC(=O)[C@H]1CC12CC2
214184529	ZINC000278485507	ref	4.7	-7.09	0	300.181	3.389	0	5	3	Cc1nc([C@H](C)Sc2ccc(Br)cn2)no1
365633589	ZINC000625069797	ref	7.36	-11.03	0	318.425	2.33	1	6	6	CCC[C@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CCO1
342078533	ZINC000625295885	mid	5.87	-52.14	1	250.346	1.035	2	3	3	CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c(C)n1
365633595	ZINC000625069037	ref	6.95	-10.5	0	318.425	2.187	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)C[C@H]1CCCOC1
342078534	ZINC000625295885	mid	2.98	-13.18	0	250.346	1.035	1	4	3	CCn1cc(C(=O)N[C@@H]2CCCN(C)C2)c(C)n1
365633600	ZINC000625069884	ref	1.87	-10.95	0	319.373	2.104	2	3	6	Cc1ccc(S(=O)(=O)NCC2(CCO)CCC2)c(F)c1F
342078535	ZINC000608852689	ref	5.01	-11.38	0	271.357	1.653	1	4	7	COC(=O)CCCCCNC(=O)C1(C)CCOCC1
342078536	ZINC000608853533	ref	6.23	-24.92	0	256.309	1.685	1	4	4	CC[C@](C)(C#N)NC(=O)Cc1cn2ccccc2n1
365633606	ZINC000625069884	high	1.8	-47.63	-1	319.373	2.104	1	3	6	Cc1ccc(S(=O)(=O)[N-]CC2(CCO)CCC2)c(F)c1F
342078537	ZINC000608853533	low	6.52	-37.96	1	256.309	1.685	1	3	4	CC[C@](C)(C#N)NC(=O)Cc1cn2ccccc2[nH+]1
342078538	ZINC000031789627	ref	6.3	-11.81	0	285.229	1.634	2	6	3	Nc1nc(N)nc(COc2ccccc2C(F)(F)F)n1
342078539	ZINC000625295913	ref	3.59	-14.58	0	269.345	1.352	1	5	8	CCO[C@@H](C(=O)NCCc1noc(CC)n1)C(C)C
365633614	ZINC000625069724	ref	2.97	-13.77	0	314.389	2.173	1	5	6	COc1cncc(CN(C)CC(=O)Nc2cccc(C)c2C)n1
349534627	ZINC000618814024	ref	7.12	-13.24	0	288.351	1.033	0	5	7	CN(Cc1cn(C)nn1)C(=O)COCCc1ccccc1
342078540	ZINC000625295887	ref	5.87	-52.13	1	250.346	1.035	2	3	3	CCn1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c(C)n1
365633620	ZINC000625069570	ref	6.37	-10.78	0	318.425	2.328	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCOC(C)(C)[C@@H]1C
214184531	ZINC000278485477	ref	10.12	-11.23	0	317.418	3.319	0	7	3	Cc1cc2nnc(SCc3cc(C(C)(C)C)on3)n2c(C)n1
365633624	ZINC000625069114	ref	7.26	-10.22	0	318.425	2.185	1	6	5	CO[C@@H]1CN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC[C@@H]1C
365633627	ZINC000625069568	ref	6.5	-10.85	0	318.425	2.328	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCOC(C)(C)[C@H]1C
365633635	ZINC000625069066	ref	6.74	-12.32	0	321.442	2.059	1	3	7	CCO[C@H](CS(=O)(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)C1CC1
342078541	ZINC000625295887	mid	5.35	-48.66	1	250.346	1.035	2	3	3	CCn1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c(C)n1
323004502	ZINC000393626171	low	8.22	-107.93	2	214.397	2.743	2	0	9	CCCC[C@H](C)[C@H](C)[NH2+]CC[N@H+](C)CC
342078542	ZINC000625295887	mid	2.98	-13.26	0	250.346	1.035	1	4	3	CCn1cc(C(=O)N[C@H]2CCCN(C)C2)c(C)n1
342595329	ZINC000590777017	low	4.77	-51.57	1	267.373	1.472	3	2	4	CC(C)[C@@H]1[N@@H+](CCC(=O)NC(N)=O)CC12CCCC2
342595330	ZINC000590776889	low	4.42	-22.7	0	288.369	1.055	0	6	6	CCOC(=O)c1cc(CC)n(C[C@H](C)S(C)(=O)=O)n1
342595331	ZINC000616959708	low	1.9	-17.38	0	279.365	1.419	2	4	3	O=C(N[C@H]1CCNC1=O)c1scnc1C1CCCC1
187169417	ZINC000125095366	ref	0.61	-59.59	1	262.313	0.611	3	2	2	C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(NC(N)=O)c1
342595332	ZINC000590777075	low	2.93	-14.19	0	260.337	1.444	1	4	6	CCc1cccc(OC[C@H](O)CN2CC(C#N)C2)c1
197592417	ZINC000290091502	ref	7.68	-6.88	0	251.395	3.438	1	2	4	Cc1ccc(CCC(=O)NC2CCCCC2)s1
295666258	ZINC000273533431	high	7.26	-11.09	0	342.483	3.145	1	3	6	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H](C1CC1)N1CCCC1
342595333	ZINC000590777079	low	1.77	-17.15	0	250.273	1.021	1	4	5	N#CC1CN(C[C@@H](O)COc2ccccc2F)C1
187169418	ZINC000125095366	mid	-0.72	-18.64	0	262.313	0.611	3	3	2	C[C@@H]1CNCCN1C(=O)c1cccc(NC(N)=O)c1
342595334	ZINC000590777101	low	3.86	-13.64	0	286.375	1.897	1	4	5	N#CC1CN(C[C@H](O)CO[C@H]2CCCc3ccccc32)C1
187169419	ZINC000125096024	ref	7.23	-39.21	1	276.38	2.326	2	3	5	c1ccc(N[C@@H]2CCC[N@@H+](CCC3OCCO3)C2)cc1
342595335	ZINC000616959821	low	3.01	-18.71	0	298.346	1.312	3	3	3	Cc1ccc(-c2cc(C(=O)N[C@H]3CCNC3=O)[nH]n2)c(C)c1
342595336	ZINC000590776662	low	3.36	-15.24	0	281.377	1.721	1	3	4	CO[C@@H]1CCC[C@H]1NC(=O)c1cccc([S@](C)=O)c1
342595337	ZINC000590776993	low	1.6	-17.28	0	271.32	1.363	2	4	5	N#CC1CN(C[C@H](O)COc2cccc3[nH]ccc23)C1
197592436	ZINC000290093460	ref	2.32	-14.46	0	291.351	1.308	3	4	4	O=C(Nc1cc(C2CC2)ccn1)N1[C@@H](CO)CC[C@@H]1CO
187169420	ZINC000125096024	mid	6.79	-39.15	1	276.38	2.326	2	3	5	c1ccc(N[C@@H]2CCC[N@H+](CCC3OCCO3)C2)cc1
187169421	ZINC000125095392	ref	3.61	-10.03	0	280.372	1.582	2	4	5	CCC[C@@H](C)c1cc(NC(=O)[C@@H]2CN(C)CCO2)n[nH]1
197592438	ZINC000290093496	ref	2.12	-7.57	0	287.363	2.653	1	5	6	COc1ccc(CN[C@@H](C)c2cncc(C)c2)c(OC)n1
187169422	ZINC000125095392	low	6.04	-47.79	1	280.372	1.582	3	3	5	CCC[C@@H](C)c1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1
197592440	ZINC000290093496	mid	3.23	-44.56	1	287.363	2.653	1	4	6	COc1ccc(C[NH2+][C@@H](C)c2cncc(C)c2)c(OC)n1
342595338	ZINC000616959742	low	4.6	-17.26	0	270.332	1.113	2	2	3	O=C1NCC[C@H]1NC(=O)C12CC(c3ccccc3)(C1)C2
342595339	ZINC000616959723	low	2.53	-17.87	0	252.701	1.267	2	2	2	Cc1c(Cl)cccc1C(=O)N[C@@H]1CCNC1=O
290622420	ZINC000492521619	ref	6.61	-9.86	0	292.404	2.457	0	4	4	CC[C@@H]1CN(C(=O)/C=C/c2cncc(OC)c2)CCS1
282122277	ZINC000533468230	ref	7.6	-11.35	0	262.292	1.717	1	6	3	C[C@@H](Nc1ncc(F)cn1)c1nnc2n1CCCC2
365633591	ZINC000172889143	ref	2.08	-18.09	0	294.319	1.972	1	4	6	C[C@H](O)[C@@H](C)S(=O)(=O)Cc1ccccc1OC(F)F
365633597	ZINC000172890561	ref	4.41	-45.17	1	256.371	1.341	0	5	5	COC[C@@H]1CN(CCc2scnc2C)CCO1
365633605	ZINC000172890561	mid	4.45	-45.2	1	256.371	1.341	1	4	5	COC[C@@H]1C[N@H+](CCc2scnc2C)CCO1
365633609	ZINC000172890561	mid	4.41	-45.17	1	256.371	1.341	1	4	5	COC[C@@H]1C[N@@H+](CCc2scnc2C)CCO1
365633615	ZINC000643091968	ref	2.63	-55.98	1	297.424	1.177	2	2	7	CCc1ccccc1[C@H]([NH3+])CNS(=O)(=O)N(C)C1CC1
365633619	ZINC000643091968	high	2.28	-9.12	0	297.424	1.177	2	3	7	CCc1ccccc1[C@H](N)CNS(=O)(=O)N(C)C1CC1
365633629	ZINC000172888628	ref	3.04	-11.42	0	278.352	1.281	1	4	5	COC[C@@H]1CN(CC(=O)Nc2ccccc2C)CCO1
282122281	ZINC000533469815	ref	2.59	-15.63	0	292.383	1.589	3	3	2	C[C@H](O)[C@H]1CCCN(C(=O)N[C@@H]2CCCc3c[nH]nc32)C1
365633643	ZINC000172892090	ref	3.34	-5.76	0	257.28	1.812	0	3	4	COC[C@@H]1CN(Cc2cc(F)ccc2F)CCO1
365633653	ZINC000172889150	ref	2.57	-14.25	0	294.319	1.972	1	4	6	C[C@H](O)[C@H](C)S(=O)(=O)Cc1ccccc1OC(F)F
365633664	ZINC000172893039	ref	2.33	-8.45	0	256.733	1.582	0	4	4	COC[C@H]1CN(Cc2cccnc2Cl)CCO1
365633674	ZINC000172890692	ref	5.04	-39.21	1	279.336	1.305	0	5	4	COC[C@@H]1CN(Cc2cccc3c2OCCO3)CCO1
365633684	ZINC000172890692	low	5.19	-39.61	1	279.336	1.305	1	4	4	COC[C@@H]1C[N@H+](Cc2cccc3c2OCCO3)CCO1
365633687	ZINC000172890692	low	5.04	-39.21	1	279.336	1.305	1	4	4	COC[C@@H]1C[N@@H+](Cc2cccc3c2OCCO3)CCO1
365633697	ZINC000172889156	ref	2.11	-17.78	0	294.319	1.972	1	4	6	C[C@@H]([C@@H](C)O)S(=O)(=O)Cc1ccccc1OC(F)F
212166766	ZINC000335490415	ref	6.38	-21.14	0	264.325	2.321	1	3	2	C[C@@H]1C[C@H](NC(=O)c2cccc(F)c2C#N)CS1
365633704	ZINC000172893404	ref	0.74	-13.06	0	288.365	1.26	1	5	8	CCOc1ccc(OCCS(=O)(=O)[C@H](C)CO)cc1
282122286	ZINC000533469815	mid	2.49	-11.82	0	292.383	1.589	3	3	2	C[C@H](O)[C@H]1CCCN(C(=O)N[C@@H]2CCCc3cn[nH]c32)C1
168364676	ZINC000368496839	high	6.4	-8.61	0	329.469	3.264	1	4	4	Cc1nscc1C(=O)NC[C@H]1CCCN(C)[C@@H]1c1ccccc1
365633716	ZINC000172891123	ref	4.65	-7.98	0	293.363	1.638	0	5	6	CCOC(=O)[C@H](c1ccccc1)N1CCO[C@H](COC)C1
365633730	ZINC000172888901	ref	3.61	-10.91	0	266.297	1.629	2	5	6	CCOC(=O)CNc1cc(OC)ccc1NC(C)=O
365633594	ZINC000274353286	ref	3.89	-12.35	0	254.334	1.286	2	3	7	CCOCCN(CC)C(=O)NCc1c[nH]nc1C
282122278	ZINC000449153256	ref	4.81	-40.65	1	253.386	2.086	2	2	4	O[C@@H](C[NH2+][C@H]1CCCC12CCC2)C1CCOCC1
365633598	ZINC000274353286	mid	3.9	-12.0	0	254.334	1.286	2	3	7	CCOCCN(CC)C(=O)NCc1cn[nH]c1C
342078543	ZINC000067659915	ref	0.37	-44.96	-1	299.327	1.124	1	5	5	Cc1ccc(S(=O)(=O)[N-]c2cnn(CCO)c2)cc1F
343993829	ZINC000235525445	mid	-0.03	-38.77	1	201.27	-0.174	4	3	3	C[C@H](O)C1CC[NH+](C/C(N)=N/O)CC1
178301052	ZINC000082795268	ref	3.12	-10.95	0	257.135	1.838	1	4	3	C[C@@H](C[C@@](C)(N)C#N)n1cc(Br)cn1
290622421	ZINC000453449525	ref	9.0	-13.11	0	292.427	2.928	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3CC[C@@H](C)C(C)(C)C3)n2C)O1
178301054	ZINC000082795268	mid	3.38	-57.42	1	257.135	1.838	1	3	3	C[C@@H](C[C@@](C)([NH3+])C#N)n1cc(Br)cn1
342078544	ZINC000067659915	low	0.36	-13.13	0	299.327	1.124	2	5	5	Cc1ccc(S(=O)(=O)Nc2cnn(CCO)c2)cc1F
342078545	ZINC000625295376	ref	4.76	-9.06	0	256.39	1.648	2	2	6	CCO[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)C(C)C
365633603	ZINC000274355085	ref	3.63	-14.47	0	292.36	1.801	1	4	5	CCC(=O)CNS(=O)(=O)c1ccc(C)c2ncccc12
187169423	ZINC000125095392	low	5.85	-40.57	1	280.372	1.582	3	3	5	CCC[C@@H](C)c1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1
365633611	ZINC000274352719	ref	4.03	-35.78	1	290.363	1.422	2	3	7	CC[C@H](CO)[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O
342078546	ZINC000625295376	mid	6.8	-43.03	1	256.39	1.648	2	2	6	CCO[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)C(C)C
187169424	ZINC000125101275	ref	3.76	-11.76	0	278.23	2.796	2	4	5	CC[C@H](O)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
187169425	ZINC000125094425	ref	1.52	-15.87	0	299.689	1.406	3	3	2	O=C1CC[C@H](NC(=O)Nc2ccc(F)cc2Cl)C(=O)N1
342078547	ZINC000625295376	high	4.76	-9.06	0	256.39	1.648	1	3	6	CCO[C@H](C(=O)N[C@H]1CCCN(CC)C1)C(C)C
398248570	ZINC000650870547	ref	6.12	-18.89	0	291.395	1.972	2	3	5	CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NCCn1ccccc1=O
342078548	ZINC000402852660	ref	6.44	-46.47	1	287.363	1.998	1	4	5	CCN(CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCOC1
398248573	ZINC000650870557	ref	3.31	-8.55	0	256.346	1.233	1	3	4	CCN(C(=O)NCC1(C)COC1)[C@@H]1CCCOC1
187169426	ZINC000125101234	ref	0.23	-8.64	0	280.324	0.911	3	4	6	CC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(OC)cc1
290622429	ZINC000335601585	ref	7.09	-10.79	0	256.143	2.972	0	2	1	C[C@H]1CC[C@@H](n2cccc(Br)c2=O)C1
342078549	ZINC000402852660	mid	6.35	-45.34	1	287.363	1.998	2	3	5	CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCOC1
398249519	ZINC000381269813	ref	-0.57	-43.26	1	210.281	0.862	1	4	2	Cc1noc([C@@H](C)N2CCC[C@H]([NH3+])C2)n1
185087887	ZINC000096073781	ref	5.97	-40.69	1	288.395	1.922	2	4	4	c1cnc(N[C@@H]2CO[C@]3(CCC[N@@H+](CC4CC4)C3)C2)cn1
187169427	ZINC000125091650	ref	1.69	-15.95	0	266.253	0.156	1	5	3	COC(=O)c1ccc(C(=O)N2CCC[C@H]2C(N)=O)o1
187169428	ZINC000125094864	ref	3.82	-7.17	0	292.77	2.626	3	5	5	CNc1c(Cl)ncnc1NC[C@@H](O)c1cccc(C)c1
187169429	ZINC000125099397	ref	7.59	-39.68	1	281.352	2.546	1	4	5	COC(=O)c1oc([C@H](C)[N@H+](C)C[C@@H]2CCCO2)cc1C
187169430	ZINC000125099397	mid	7.92	-36.59	1	281.352	2.546	1	4	5	COC(=O)c1oc([C@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1C
365633601	ZINC000175966449	ref	4.12	-10.03	0	214.309	1.605	1	2	4	COC(C)(C)C[C@@H](C)NC(=O)N1CCC1
342595340	ZINC000616962740	low	3.54	-18.46	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cc(F)ccc1F
342595341	ZINC000590777027	low	1.17	-15.58	0	276.336	1.028	1	5	7	COc1ccc(COC[C@@H](O)CN2CC(C#N)C2)cc1
342595342	ZINC000590776994	low	2.71	-15.6	0	280.755	1.843	1	4	5	Cc1ccc(Cl)c(OC[C@H](O)CN2CC(C#N)C2)c1
342595343	ZINC000590776380	low	5.36	-10.21	0	286.441	1.939	2	3	5	CSCC1CCC(NC(=O)C(C)(C)NC(C)=O)CC1
342595344	ZINC000590776950	low	5.38	-44.03	1	285.384	1.049	2	4	7	CCOC(=O)CC[C@@H](O)C[NH+]1CC(C2CCOCC2)C1
342595345	ZINC000590776950	high	2.21	-6.9	0	285.384	1.049	1	5	7	CCOC(=O)CC[C@@H](O)CN1CC(C2CCOCC2)C1
342595346	ZINC000590776523	low	8.76	-53.82	1	293.298	1.51	1	3	2	C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21
187169431	ZINC000125099397	mid	5.2	-8.63	0	281.352	2.546	0	5	5	COC(=O)c1oc([C@H](C)N(C)C[C@@H]2CCCO2)cc1C
187169432	ZINC000125101663	ref	1.01	-16.0	0	258.281	2.329	2	4	3	CNC(=O)Nc1ccc(Oc2nccc(C)n2)cc1
398248571	ZINC000649442869	ref	2.92	-47.23	1	234.299	1.484	1	3	5	COCCOc1cccc(C2=CC[NH2+]CC2)n1
178301051	ZINC000237175239	ref	3.23	-49.01	1	356.488	1.898	2	4	9	COCCOc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1
187169434	ZINC000125096144	ref	5.18	-50.42	1	262.357	1.145	2	3	3	CNc1ccc(C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)cn1
187169435	ZINC000125094265	ref	1.88	-16.06	0	269.37	1.207	2	4	5	CCc1ncsc1C(=O)NCC(C)(C)C(=O)NC
178301053	ZINC000237169969	ref	6.81	-54.05	1	357.376	1.845	1	2	4	C[NH2+]C[C@@H](C)C(=O)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
212166830	ZINC000275168944	ref	5.37	-20.81	0	311.179	1.518	1	2	2	Cc1cc(Br)c2c(c1)CN(C(=O)CC(N)=O)CC2
212166833	ZINC000275168384	ref	4.18	-10.4	0	304.39	2.161	2	3	4	CC[C@]1(C)CCCN(C(=O)CNC(=O)c2cccc(O)c2)C1
342595347	ZINC000590776523	low	8.82	-50.04	1	293.298	1.51	1	3	2	C[N@H+]1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21
342595348	ZINC000590776523	high	6.5	-13.05	0	293.298	1.51	0	4	2	CN1CC[C@@H]2CN(C(=O)c3ccc(F)cc3[N+](=O)[O-])C[C@@H]21
342595349	ZINC000590776850	low	5.34	-41.67	1	295.379	1.797	2	4	9	CCOC(=O)CC[C@H](O)C[NH2+]Cc1cc(C)ccc1OC
365633608	ZINC000576588423	ref	1.55	-18.67	0	246.27	0.325	1	5	1	C[C@H]1C[C@H](O)CN1C(=O)c1cnc2cccnn12
365633613	ZINC000576592455	ref	9.76	-39.94	1	239.378	3.827	1	0	5	FC1(CC[NH2+][C@@H]2CCC[C@@H](C3CC3)C2)CCC1
290622422	ZINC000492521306	ref	0.71	-12.99	0	285.303	2.233	2	5	5	CCOc1ncccc1NC(=O)/C=C\c1cncc(O)c1
290622424	ZINC000492521306	high	1.47	-53.59	-1	285.303	2.233	1	5	5	CCOc1ncccc1NC(=O)/C=C\c1cncc([O-])c1
342595350	ZINC000590776850	high	3.96	-8.01	0	295.379	1.797	2	5	9	CCOC(=O)CC[C@H](O)CNCc1cc(C)ccc1OC
342595351	ZINC000590776479	low	7.92	-11.08	0	289.335	1.613	0	5	5	COC(=O)[C@@H](CC(C)C)N(C)C(=O)c1cccc(C#N)n1
342600505	ZINC000616999834	ref	5.04	-39.81	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1
342600506	ZINC000616999834	mid	5.09	-40.02	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@]2(C)CCOC2)C1
342600507	ZINC000617000037	ref	5.03	-42.4	1	297.443	1.529	3	2	7	CNC(=O)CCCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600508	ZINC000617000037	mid	4.96	-42.01	1	297.443	1.529	3	2	7	CNC(=O)CCCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600509	ZINC000617000001	ref	2.02	-36.1	1	295.383	1.923	2	4	5	CCOc1nc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)co1
342600510	ZINC000617000001	mid	1.97	-36.02	1	295.383	1.923	2	4	5	CCOc1nc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)co1
365633616	ZINC000576589259	ref	-1.4	-7.14	0	229.276	-0.323	2	4	4	CO[C@@H]1COC[C@H]1NC(=O)[C@@](C)(O)C1CC1
230236236	ZINC000336726432	ref	-0.8	-46.7	1	266.363	-1.039	2	4	7	C[N@H+](CCOCCO)[C@H]1CCN(S(C)(=O)=O)C1
230236241	ZINC000336726432	mid	-0.53	-47.28	1	266.363	-1.039	2	4	7	C[N@@H+](CCOCCO)[C@H]1CCN(S(C)(=O)=O)C1
230236246	ZINC000336726432	mid	-3.34	-13.68	0	266.363	-1.039	1	5	7	CN(CCOCCO)[C@H]1CCN(S(C)(=O)=O)C1
230236250	ZINC000336682430	ref	-1.99	-14.03	0	268.335	-1.496	1	5	7	CN(CCOCCO)S(=O)(=O)N1CCOCC1
230236276	ZINC000334035928	ref	-2.28	-14.03	0	259.306	-1.086	3	4	6	COCC[C@@H](CO)NC(=O)N[C@H]1CC(=O)N(C)C1
230236285	ZINC000334512024	ref	1.48	-10.16	0	271.342	-1.091	1	4	1	CS[C@@H]1CCN(C(=O)C(=O)N2CCNC(=O)C2)C1
230236293	ZINC000333256044	ref	-0.57	-19.87	0	268.317	-1.893	1	4	3	CN1CCN(CC(=O)N[C@@H]2CC(=O)N(C)C2)CC1=O
178301055	ZINC000237173508	ref	5.1	-44.82	1	360.38	1.421	2	4	7	COCC[NH2+]CC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
178301058	ZINC000237173508	high	3.77	-10.05	0	360.38	1.421	2	5	7	COCCNCC(=O)NC1CCN(c2ccc(C(F)(F)F)cn2)CC1
178301061	ZINC000237168307	ref	5.35	-49.56	1	362.405	1.818	1	5	7	COCC[NH2+]CC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
178301063	ZINC000237168307	high	4.0	-13.31	0	362.405	1.818	1	6	7	COCCNCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1
178301066	ZINC000237162616	ref	10.99	-57.72	-1	360.454	1.963	0	4	7	CCc1ccc(CCC(=O)N(C)CC(=O)N2CCC(C(=O)[O-])CC2)cc1
178301069	ZINC000237154829	ref	6.61	-62.82	1	354.476	1.998	2	6	8	COC(=O)CCCc1nnc(NC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)s1
178301071	ZINC000237159513	ref	3.87	-56.94	1	356.43	1.431	3	5	4	CNC(=O)c1cc(C)ccc1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C
178301073	ZINC000237165150	ref	5.0	-45.18	1	357.248	1.585	1	3	6	COCC[NH2+]CC(=O)N1CCO[C@H](c2ccccc2Br)C1
178301075	ZINC000237165150	high	3.65	-11.62	0	357.248	1.585	1	4	6	COCCNCC(=O)N1CCO[C@H](c2ccccc2Br)C1
365633621	ZINC000576591783	ref	6.53	-5.12	0	234.343	3.661	0	3	4	CCC(CC)c1noc([C@@]2(C)C[C@@H]3C[C@@H]3C2)n1
365633628	ZINC000576588730	ref	7.12	-32.36	1	226.408	2.741	1	1	7	CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C
398248574	ZINC000649442634	ref	9.49	-40.8	1	240.35	3.161	1	1	4	Cc1ccc(-c2ccc(CC[NH+](C)C)cc2)cn1
365633634	ZINC000576588730	mid	8.68	-108.76	2	226.408	2.741	2	0	7	CCC(C)(C)[C@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C
365633648	ZINC000175968185	ref	2.49	-22.03	0	235.287	0.984	2	2	4	C[C@@H](C1CC1)N(C)C(=O)c1cc(C(N)=O)c[nH]1
365633660	ZINC000576591182	ref	7.84	-29.02	0	234.299	1.939	1	3	6	CC[N@H+](CC1CC1)[C@H](C(=O)[O-])c1cccnc1
178301077	ZINC000237163618	ref	4.4	-48.87	1	350.444	1.253	1	5	6	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1cnn(-c2ccccc2OC)c1
398248575	ZINC000649442968	ref	6.95	-44.35	1	229.323	2.733	1	1	1	CC1(C)COc2ccc(C3=CC[NH2+]CC3)cc21
178301080	ZINC000237175738	ref	5.87	-94.77	2	372.513	1.515	4	2	8	C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
365633666	ZINC000576591182	mid	7.86	-30.68	0	234.299	1.939	1	3	6	CC[N@@H+](CC1CC1)[C@H](C(=O)[O-])c1cccnc1
178305823	ZINC000128178925	low	9.33	-34.8	1	206.264	3.013	0	1	3	Cc1cc2[nH+]cn(CCCF)c2cc1C
365633673	ZINC000576588424	ref	1.56	-22.02	0	246.27	0.325	1	5	1	C[C@@H]1C[C@@H](O)CN1C(=O)c1cnc2cccnn12
290622423	ZINC000228068620	ref	0.98	-22.81	0	321.399	-0.816	1	5	6	CNC(=O)[C@]1(C)CCN(S(=O)(=O)N(C)CCC(=O)OC)C1
349534628	ZINC000093261772	ref	2.44	-14.23	0	265.313	0.62	2	4	1	C[C@H]1CCN(C(=O)Nc2cccn(C)c2=O)C[C@H]1O
187169436	ZINC000125098931	ref	3.85	-63.14	1	299.289	1.979	1	2	5	CS(=O)(=O)CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
365633623	ZINC000274356543	ref	2.31	-11.05	0	257.355	1.003	1	3	6	CCc1ccc(CS(=O)(=O)N(C)CCO)cc1
342078550	ZINC000402852660	mid	6.35	-45.34	1	287.363	1.998	2	3	5	CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@H]1CCCOC1
197592467	ZINC000162794493	ref	7.52	-13.32	0	324.446	2.075	0	5	4	CCc1noc(CC)c1CC(=O)N1CCS[C@H]2COCC[C@H]21
214184534	ZINC000278485125	ref	2.24	-16.29	0	318.377	1.323	3	6	7	COc1cc(CCO)ccc1NCC(=O)Nc1cc(C)nn1C
187169437	ZINC000125098931	mid	2.5	-13.14	0	299.289	1.979	1	3	5	CS(=O)(=O)CCNCc1cc(F)cc(C(F)(F)F)c1
187169438	ZINC000125091395	ref	1.73	-15.97	0	266.253	0.156	1	5	3	COC(=O)c1ccc(C(=O)N2CCC[C@@H]2C(N)=O)o1
342078551	ZINC000625295490	ref	4.38	-10.79	0	292.326	1.572	0	3	1	C[C@H]1CN(C(=O)N2CCO[C@](C)(C(F)F)C2)C[C@@H](C)O1
342078552	ZINC000089764523	ref	0.85	-22.92	0	293.348	1.111	2	4	4	C[C@@H](NS(C)(=O)=O)C(=O)Nc1cncc2ccccc12
342078553	ZINC000625295613	ref	8.47	-89.03	2	290.411	1.354	2	3	3	CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1
342078554	ZINC000625295613	mid	7.95	-84.33	2	290.411	1.354	2	3	3	CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1
342078555	ZINC000625295613	low	5.3	-10.77	0	290.411	1.354	2	2	3	CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1
342078556	ZINC000625295613	low	7.95	-84.33	2	290.411	1.354	2	2	3	CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1
342078557	ZINC000625295613	high	5.3	-10.77	0	290.411	1.354	1	4	3	CCN1CCC[C@@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1
342078558	ZINC000402852874	ref	6.2	-5.97	0	251.326	1.656	1	3	4	CC[C@@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)OC
342078559	ZINC000608852853	ref	6.12	-11.67	0	298.383	1.093	1	4	5	CCOC(=O)CC1CCN(C(=O)C(C)(C)NC(C)=O)CC1
342078560	ZINC000625296373	ref	3.9	-13.55	0	283.416	1.091	1	3	3	CC(=O)N1CCN(CC(=O)NCC(C)(C)C)C(C)(C)C1
342078561	ZINC000625296373	low	5.89	-42.59	1	283.416	1.091	2	2	3	CC(=O)N1CC[N@H+](CC(=O)NCC(C)(C)C)C(C)(C)C1
342078562	ZINC000625296373	low	5.88	-41.02	1	283.416	1.091	2	2	3	CC(=O)N1CC[N@@H+](CC(=O)NCC(C)(C)C)C(C)(C)C1
342078563	ZINC000172511328	ref	1.95	-12.99	0	255.362	1.518	3	2	5	CCC(CC)NC(=O)N[C@H]1CCC[C@H](C(N)=O)C1
342078564	ZINC000608853455	ref	7.7	-21.73	0	270.336	1.994	1	4	5	CCC[C@H](C#N)NC(=O)Cc1cn2cccc(C)c2n1
342078565	ZINC000608853455	low	7.99	-36.17	1	270.336	1.994	1	3	5	CCC[C@H](C#N)NC(=O)Cc1cn2cccc(C)c2[nH+]1
342078566	ZINC000625295610	ref	7.95	-83.13	2	290.411	1.354	2	3	3	CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1
342078567	ZINC000625295610	mid	8.47	-88.7	2	290.411	1.354	2	3	3	CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1
342078568	ZINC000625295610	low	5.16	-10.67	0	290.411	1.354	2	2	3	CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1
187169439	ZINC000125093394	ref	0.98	-13.24	0	280.328	0.348	2	5	4	Cn1cc([C@@]2(C)NC(=O)N(CCC(C)(C)O)C2=O)cn1
342078569	ZINC000625295610	low	8.47	-88.7	2	290.411	1.354	2	2	3	CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCn3cc(C)[nH+]c3C2)C1
342078570	ZINC000625295610	high	5.16	-10.67	0	290.411	1.354	1	4	3	CCN1CCC[C@H](NC(=O)[C@@H]2CCn3cc(C)nc3C2)C1
342078571	ZINC000608852667	ref	4.27	-13.69	0	257.33	1.261	1	4	5	CC(C)OC(=O)CCNC(=O)C1(C)CCOCC1
342078572	ZINC000608852642	ref	7.35	-15.08	0	263.337	1.995	1	3	6	Cc1cccc(CC(=O)NCCC(=O)OC(C)C)c1
342078573	ZINC000077828543	ref	2.55	-39.91	1	271.405	1.321	4	2	6	CC[C@H](CO)NC(=O)NCC1([NH+](C)C)CCCCC1
187169440	ZINC000125097504	ref	9.89	-7.93	0	298.434	3.193	0	4	6	Cn1ncnc1CN1CCCC[C@H]1CCCc1ccccc1
342078574	ZINC000077829547	ref	1.36	-10.52	0	269.345	1.669	3	4	5	Cc1noc(C)c1[C@H](C)NC(=O)N[C@H](C)[C@@H](C)CO
342078575	ZINC000046492929	ref	6.28	-18.74	0	276.336	1.018	0	4	2	O=C(Cn1ccccc1=O)N1CCO[C@H]2CCCC[C@H]21
178301085	ZINC000082795337	ref	4.31	-11.74	0	285.189	2.455	1	4	3	Cc1nn([C@@H](C)C[C@](C)(N)C#N)c(C)c1Br
178301086	ZINC000082795337	mid	4.58	-60.92	1	285.189	2.455	1	3	3	Cc1nn([C@@H](C)C[C@](C)([NH3+])C#N)c(C)c1Br
342078576	ZINC000608852484	ref	4.37	-9.96	0	257.33	1.263	1	4	6	CCOC(=O)CCCNC(=O)C1(C)CCOCC1
342078577	ZINC000608853132	ref	6.58	-12.77	0	297.395	1.995	0	4	4	CCOC(=O)CC1CCN(C(=O)C2(C)CCOCC2)CC1
342078578	ZINC000625296296	ref	2.96	-15.05	0	295.364	1.514	2	4	5	COc1c(C)cc(S(=O)(=O)NCc2c[nH]cn2)cc1C
342078579	ZINC000625296296	mid	2.93	-13.99	0	295.364	1.514	2	4	5	COc1c(C)cc(S(=O)(=O)NCc2cnc[nH]2)cc1C
342078580	ZINC000625296296	low	3.44	-45.27	1	295.364	1.514	2	3	5	COc1c(C)cc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1C
342078581	ZINC000625296296	low	3.42	-45.33	1	295.364	1.514	2	3	5	COc1c(C)cc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1C
342595352	ZINC000616967466	ref	2.64	-20.03	0	271.32	1.024	3	2	3	Cc1[nH]c2ccccc2c1CC(=O)N[C@H]1CCNC1=O
365633630	ZINC000123035434	ref	6.99	-11.06	0	260.337	2.039	1	2	6	C#CCNC(=O)N(C)CCCOc1ccccc1C
185087889	ZINC000096073781	mid	6.14	-38.2	1	288.395	1.922	2	4	4	c1cnc(N[C@@H]2CO[C@]3(CCC[N@H+](CC4CC4)C3)C2)cn1
342595353	ZINC000616959943	ref	3.52	-20.97	0	298.745	1.761	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1ccc(Cl)cc1F
365633640	ZINC000123051580	ref	5.79	-10.12	0	256.39	2.487	1	2	4	CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(C)C(C)C
365633661	ZINC000122969256	ref	6.2	-15.52	0	299.208	2.4	1	4	3	N#CC1(NC(=O)c2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1
342595354	ZINC000194417884	ref	4.24	-11.84	0	273.3	1.252	1	8	5	CCCc1noc(Cn2ncc3c(NC)ncnc32)n1
365633677	ZINC000122982176	ref	7.53	-47.29	1	298.452	2.388	2	3	6	C#CCSCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
365633691	ZINC000123044350	ref	4.46	-9.39	0	274.364	2.087	1	3	2	CC1(C)C[C@@H]1C(=O)N1CCN(c2cccc(O)c2)CC1
342595355	ZINC000194417884	low	4.65	-40.37	1	273.3	1.252	1	7	5	CCCc1noc(Cn2ncc3c(NC)[nH+]cnc32)n1
290622425	ZINC000492520032	ref	4.33	-9.92	0	292.379	2.113	1	4	7	CCCN(CC(C)(C)O)C(=O)/C=C/c1cncc(OC)c1
365633706	ZINC000122981688	ref	7.34	-46.98	1	298.452	2.388	2	3	6	C#CCSCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
365633718	ZINC000122974895	ref	6.63	-38.26	1	275.396	2.348	2	2	4	CC[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+](C)C
365633734	ZINC000122974895	mid	3.89	-9.39	0	275.396	2.348	1	3	4	CC[C@H](C(=O)Nc1ccc2c(c1)CCCN2C)N(C)C
365633747	ZINC000123060228	ref	8.92	-37.78	1	291.439	2.443	2	1	3	C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1
365633763	ZINC000123060228	mid	9.15	-40.19	1	291.439	2.443	2	1	3	C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1
342595356	ZINC000616965809	ref	3.48	-15.57	0	252.358	1.598	2	2	4	C[C@H](CC(=O)N[C@H]1CCNC1=O)C1CCCCC1
365633774	ZINC000123123818	ref	5.71	-42.04	1	253.39	2.042	2	1	3	C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(N)=O)CC1
365633795	ZINC000123123818	mid	6.02	-41.5	1	253.39	2.042	2	1	3	C[C@@H]1CCCC[N@H+]1CCC1CCN(C(N)=O)CC1
365633803	ZINC000123028994	ref	6.05	-9.02	0	275.739	2.491	1	3	2	Cn1nccc1C(=O)N[C@H]1CCc2c(Cl)cccc21
349534629	ZINC000621494572	ref	7.66	-9.72	0	286.366	3.252	1	1	3	CC1(C)CN(C(=O)NCC[C@@H]2CC2(F)F)[C@@H]2CCC[C@@H]21
365633824	ZINC000123090658	ref	5.0	-7.78	0	277.364	2.145	1	3	2	O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)C1=COCCC1
365633631	ZINC000623065424	ref	1.42	-53.0	1	311.407	1.352	3	3	3	C[C@@H]1C[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1
365633641	ZINC000623066196	ref	2.53	-47.62	1	312.345	1.949	2	4	4	C[C@H]([NH3+])[C@H](C)NC(=O)c1nnc(-c2c(F)cccc2F)s1
185087891	ZINC000096073512	ref	3.29	-6.09	0	280.343	1.991	0	4	3	CO[C@H]1CO[C@@]2(CCCN(Cc3ccncc3F)C2)C1
365633663	ZINC000623065475	ref	1.42	-50.48	1	316.361	1.08	4	3	2	CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365633671	ZINC000623065475	high	-0.39	-77.45	0	316.361	1.08	3	3	2	CC1(C)C[NH2+]CC[C@@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365633682	ZINC000623065943	ref	2.58	-60.47	1	310.423	1.339	3	4	2	[NH3+]CC1(O)CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
365633693	ZINC000623066199	ref	2.62	-51.67	1	312.345	1.949	2	4	4	C[C@H](NC(=O)c1nnc(-c2c(F)cccc2F)s1)[C@@H](C)[NH3+]
365633701	ZINC000623066380	ref	0.5	-49.86	1	304.35	1.209	4	3	6	CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365633712	ZINC000623066380	high	-1.31	-73.27	0	304.35	1.209	3	3	6	CCCC[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365633719	ZINC000623066092	ref	2.47	-41.24	1	304.213	1.776	2	3	2	C[C@H]1C[C@@H](NC(=O)c2ncc(Br)s2)CC[NH2+]1
365633728	ZINC000623065794	ref	4.37	-54.63	1	302.403	1.661	1	4	3	Cc1nnc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1
365633741	ZINC000623066095	ref	2.81	-41.47	1	304.213	1.776	2	3	2	C[C@@H]1C[C@@H](NC(=O)c2ncc(Br)s2)CC[NH2+]1
290622438	ZINC000336426072	ref	2.16	-20.28	0	276.402	0.82	1	3	3	CNC(=O)[C@]1(C)CCN(S(=O)(=O)CC(C)(C)C)C1
178301082	ZINC000237175738	high	3.39	-50.47	1	372.513	1.515	3	3	8	CN(C)CCNC(=O)c1ccc(CNC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
185087893	ZINC000096073512	mid	5.62	-40.07	1	280.343	1.991	1	3	3	CO[C@H]1CO[C@@]2(CCC[N@H+](Cc3ccncc3F)C2)C1
342600511	ZINC000616999631	ref	4.24	-48.75	1	283.416	1.139	3	2	6	CNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
185087895	ZINC000096073512	mid	5.6	-38.32	1	280.343	1.991	1	3	3	CO[C@H]1CO[C@@]2(CCC[N@@H+](Cc3ccncc3F)C2)C1
323004503	ZINC000393626171	low	8.22	-107.91	2	214.397	2.743	2	0	9	CCCC[C@H](C)[C@H](C)[NH2+]CC[N@@H+](C)CC
342600512	ZINC000616999631	mid	4.19	-48.26	1	283.416	1.139	3	2	6	CNC(=O)CCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600513	ZINC000590841519	ref	4.69	-11.47	0	271.336	1.839	1	3	5	CCC(C)(C)OCCNC(=O)N1CC[C@@](F)(C#N)C1
342600514	ZINC000616999853	ref	8.28	-51.38	1	264.329	1.766	1	4	3	CC(C)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@@H+]1C
342600515	ZINC000616999853	mid	8.55	-50.62	1	264.329	1.766	1	4	3	CC(C)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CC[N@H+]1C
187169441	ZINC000125097504	mid	12.23	-42.86	1	298.434	3.193	1	3	6	Cn1ncnc1C[N@@H+]1CCCC[C@H]1CCCc1ccccc1
398248576	ZINC000651460216	ref	9.47	-9.38	0	274.408	3.149	1	1	3	O=C(NC1CC2(CCC2)C1)N1C[C@@H](C2CC2)[C@@H]1C1CC1
342595357	ZINC000616965314	ref	2.06	-17.21	0	275.283	1.234	3	2	2	Cc1cc(F)cc2[nH]c(C(=O)N[C@H]3CCNC3=O)cc12
342595358	ZINC000590777179	ref	2.22	-13.55	0	266.728	1.535	1	4	5	N#CC1CN(C[C@@H](O)COc2ccc(Cl)cc2)C1
197592488	ZINC000290092735	ref	3.14	-12.64	0	271.386	1.367	1	4	7	CCCCS(=O)(=O)NCc1ncccc1N(C)C
342595359	ZINC000616965898	ref	4.5	-17.56	0	272.348	1.34	2	2	3	Cc1cc(C)cc(C2(C(=O)N[C@H]3CCNC3=O)CC2)c1
187169442	ZINC000125097504	mid	11.63	-43.46	1	298.434	3.193	1	3	6	Cn1ncnc1C[N@H+]1CCCC[C@H]1CCCc1ccccc1
342595360	ZINC000616965826	ref	3.4	-16.79	0	264.3	1.324	2	2	4	C[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1
187169443	ZINC000125099997	ref	0.38	-14.75	0	264.281	0.517	3	4	3	C[C@@H](CO)NC(=O)c1cccc2c1O[C@@H](C)C(=O)N2
293078415	ZINC000561321745	ref	5.09	-10.93	0	261.281	1.821	1	5	5	Cc1cc(CCNC(=O)c2cc(C3CC3)no2)on1
342595361	ZINC000616967497	ref	4.88	-20.19	0	283.331	1.024	2	3	4	O=C(Cc1ccc(-n2cccc2)cc1)N[C@H]1CCNC1=O
342595362	ZINC000616965318	ref	4.33	-18.44	0	280.393	1.856	2	3	7	O=C(CCCCCc1cccs1)N[C@@H]1CCNC1=O
342595363	ZINC000616965827	ref	3.4	-16.1	0	264.3	1.324	2	2	4	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1
342595364	ZINC000590777165	ref	6.7	-15.81	0	294.376	1.829	0	5	4	COC(=O)c1cccnc1SC[C@H]1CCCN(C)C1=O
187169444	ZINC000125099167	ref	7.58	-39.8	1	281.352	2.546	1	4	5	COC(=O)c1oc([C@@H](C)[N@H+](C)C[C@@H]2CCCO2)cc1C
342595365	ZINC000590777164	ref	6.71	-15.82	0	294.376	1.829	0	5	4	COC(=O)c1cccnc1SC[C@@H]1CCCN(C)C1=O
342595366	ZINC000616965828	ref	3.4	-16.11	0	264.3	1.324	2	2	4	C[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1
342595367	ZINC000590777430	ref	3.86	-12.11	0	281.703	1.262	1	7	4	COC(=O)c1cc(NCc2nnn(C)n2)ccc1Cl
342595368	ZINC000194435008	ref	5.6	-20.46	0	258.237	1.946	1	5	3	Cc1ccc(C(=O)Nc2cnccn2)cc1[N+](=O)[O-]
342595369	ZINC000616965883	ref	3.0	-18.23	0	276.336	1.021	2	3	5	CC(C)Oc1ccccc1CC(=O)N[C@@H]1CCNC1=O
214184539	ZINC000053467844	mid	6.03	-16.79	0	340.339	2.452	2	5	6	COc1cccc(CCNC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1
361823657	ZINC000635539159	ref	2.81	-8.05	0	271.32	1.707	2	2	1	NC(=O)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1
187169445	ZINC000125099167	mid	7.92	-38.51	1	281.352	2.546	1	4	5	COC(=O)c1oc([C@@H](C)[N@@H+](C)C[C@@H]2CCCO2)cc1C
187169446	ZINC000125099167	mid	5.64	-8.27	0	281.352	2.546	0	5	5	COC(=O)c1oc([C@@H](C)N(C)C[C@@H]2CCCO2)cc1C
342595370	ZINC000616965884	ref	3.0	-19.44	0	276.336	1.021	2	3	5	CC(C)Oc1ccccc1CC(=O)N[C@H]1CCNC1=O
342595371	ZINC000590777471	ref	5.42	-47.4	1	253.367	1.951	1	3	5	COc1ccc2c(c1)C[C@H]([NH2+]CCSC)CO2
214184541	ZINC000278486639	ref	9.5	-105.26	2	306.425	3.359	2	1	6	COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F
178301084	ZINC000237167346	ref	5.22	-55.86	1	368.499	1.707	1	4	8	C[NH2+]C[C@@H]1CCCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)C1
398248577	ZINC000650870663	ref	4.29	-8.72	0	270.373	1.622	1	3	4	CC[C@@H]1CN(C(=O)NCC2(C)COC2)[C@H](CC)CO1
342595372	ZINC000590777128	ref	3.06	-11.84	0	250.729	1.699	1	3	4	N#CC1CN(C[C@H](O)Cc2cccc(Cl)c2)C1
398248580	ZINC000650869271	ref	6.63	-43.09	1	285.432	1.927	2	2	7	CCCC[N@H+](C)CCNC(=O)N1C[C@@H](CC)OC[C@@H]1C
214184547	ZINC000278485739	ref	6.44	-11.15	0	321.417	2.84	1	4	7	CCOc1cc2c(cc1CNC(=O)CC(C)(C)OC)O[C@H](C)C2
342595373	ZINC000616965789	ref	3.52	-15.94	0	292.335	1.967	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)sc2ccc(F)cc12
187169447	ZINC000125094918	ref	6.66	-11.05	0	298.342	2.096	1	3	3	CC(=O)Nc1cccc(CN2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1
187169448	ZINC000125092469	ref	6.36	-15.59	0	274.364	1.87	1	2	4	CCC(=O)N1CC[C@H](C(=O)NCc2cccc(C)c2)C1
187169449	ZINC000125095736	ref	4.85	-46.45	1	262.357	1.145	2	3	3	CNc1ccc(C(=O)N2C[C@H](C)[C@@H]([NH+](C)C)C2)cn1
187169450	ZINC000125098160	ref	1.85	-14.57	0	287.429	0.455	2	4	6	CC[C@@H](SC)C(=O)NC1CCN(CC(=O)NC)CC1
187169451	ZINC000125098160	mid	4.0	-47.6	1	287.429	0.455	3	3	6	CC[C@@H](SC)C(=O)NC1CC[NH+](CC(=O)NC)CC1
365633632	ZINC000641601798	ref	2.99	-11.31	0	298.346	1.908	2	5	5	NC(=O)c1nccnc1NC[C@H]1CC[C@H](c2ccccc2)O1
178301087	ZINC000237169066	ref	5.38	-46.35	1	374.51	1.69	1	5	8	COCC[NH2+]CC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
187169452	ZINC000125101436	ref	4.31	-8.46	0	286.322	2.266	2	2	5	CC(C)N(C[C@H](C)O)C(=O)NCc1cc(F)ccc1F
197600955	ZINC000290118662	ref	0.35	-15.59	0	284.337	-0.078	2	5	6	C[C@H](O)CN(CCO)S(=O)(=O)c1cccc(C#N)c1
187169453	ZINC000125091421	ref	3.22	-15.21	0	291.756	2.013	0	5	4	O=S(=O)(C[C@H]1CCCCO1)Oc1ccc(Cl)nc1
259308246	ZINC000322978611	ref	7.54	-40.63	1	233.355	3.105	1	1	7	CC[C@](C)(C[NH2+]C/C=C/c1ccccc1)OC
178301088	ZINC000082795273	ref	5.31	-9.22	0	271.162	2.098	1	4	4	CN[C@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
365633633	ZINC000354705505	ref	2.44	-30.37	1	286.46	1.705	3	3	8	C[C@H](O)CCC[N@H+]1CCN(CCC[C@@H](C)O)C(C)(C)C1
365633637	ZINC000354705505	mid	2.75	-31.02	1	286.46	1.705	3	3	8	C[C@H](O)CCC[N@@H+]1CCN(CCC[C@@H](C)O)C(C)(C)C1
178301090	ZINC000082795273	low	4.97	-52.61	1	271.162	2.098	1	3	4	C[NH2+][C@](C)(C#N)C[C@@H](C)n1cc(Br)cn1
185087897	ZINC000096073307	ref	9.83	-34.36	1	259.393	3.12	1	1	3	C[C@@H]1CO[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1
398248578	ZINC000649442684	ref	4.25	-9.64	0	221.304	1.728	0	4	3	CCO[C@H]1CCN(c2cccnn2)C[C@@H]1C
365633644	ZINC000354705505	mid	2.44	-30.37	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@H+](CCC[C@@H](C)O)C(C)(C)C1
365633650	ZINC000354705505	mid	2.75	-31.02	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@@H+](CCC[C@@H](C)O)C(C)(C)C1
365633656	ZINC000354704359	ref	1.68	-8.5	0	252.318	1.739	2	4	5	CCC[C@H]1C[C@@H]1NC(=O)Nc1cn(C)nc1OC
365633669	ZINC000354704815	ref	4.86	-10.39	0	292.335	1.344	2	4	5	COC(=O)C[C@]1(NC(=O)c2cc[nH]c2C2CC2)CCOC1
365633683	ZINC000354704192	ref	1.68	-16.89	0	278.23	1.378	2	3	5	C[C@@H](CC(F)(F)F)NC(=O)c1ccoc1CC(N)=O
365633694	ZINC000354705006	ref	6.16	-12.62	0	274.361	1.395	1	4	8	CCOC(=O)CC[C@@H](C)NC(=O)N(C)C[C@@H](C)OC
365633708	ZINC000457191767	ref	4.2	-12.87	0	292.32	1.727	1	6	5	Cc1cnc(CCNC(=O)c2ccc([N+](=O)[O-])s2)cn1
365633715	ZINC000354704633	ref	1.68	-19.62	0	293.323	1.02	1	4	2	O=C(N[C@@H]1CC[S@](=O)C1)c1cc(F)cc2nccnc12
365633727	ZINC000354705457	ref	4.71	-20.8	0	292.27	1.151	1	6	4	COC(=O)c1cn(CC(=O)Nc2cccc(F)c2C)nn1
365633739	ZINC000354704506	ref	3.61	-25.97	0	297.376	1.101	1	4	6	CCOc1ccc(OCC(=O)N[C@@H]2CC[S@@](=O)C2)cc1
365633754	ZINC000354704173	ref	7.1	-17.79	0	273.214	1.89	1	4	4	Cn1c(NC(=O)COC(F)F)nc2ccc(F)cc21
365633767	ZINC000354704405	ref	4.64	-16.87	0	283.291	1.732	1	5	4	CN(Cc1ccon1)C(=O)c1c[nH]nc1-c1ccccn1
342078582	ZINC000625295496	ref	4.41	-9.97	0	292.326	1.572	0	3	1	C[C@H]1CN(C(=O)N2CCO[C@@](C)(C(F)F)C2)C[C@@H](C)O1
185087899	ZINC000096073307	mid	9.91	-37.99	1	259.393	3.12	1	1	3	C[C@@H]1CO[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1
365633779	ZINC000354704405	mid	4.62	-13.73	0	283.291	1.732	1	5	4	CN(Cc1ccon1)C(=O)c1cn[nH]c1-c1ccccn1
365633787	ZINC000354704350	ref	1.81	-8.3	0	252.318	1.739	2	4	5	CCC[C@@H]1C[C@@H]1NC(=O)Nc1cn(C)nc1OC
365633794	ZINC000354705196	ref	4.94	-10.6	0	278.356	1.688	1	5	6	COC[C@@H](C)CC(=O)Nc1cncnc1N1CCCC1
282122282	ZINC000449152966	ref	6.24	-37.61	1	294.439	2.325	1	2	3	CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCOC3(CCC3)C2)C1
282122288	ZINC000449153257	ref	4.55	-40.66	1	253.386	2.086	2	2	4	O[C@H](C[NH2+][C@H]1CCCC12CCC2)C1CCOCC1
187169454	ZINC000125100428	ref	4.79	-15.67	0	284.306	2.598	0	3	5	CC[C@H]1CCN(C(=O)c2ccnc(OCC(F)F)c2)C1
187169455	ZINC000125093565	ref	5.95	-5.82	0	286.734	3.12	1	2	1	C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccc(F)cc1Cl
349534631	ZINC000618813703	ref	7.69	-11.33	0	284.363	1.894	0	4	4	CN(Cc1cn(C)nn1)C(=O)C[C@@H]1CCc2ccccc21
398248579	ZINC000651459032	ref	7.01	-7.69	0	271.364	3.165	1	4	6	Cc1nc2ccccc2nc1N[C@H](C)COCC1CC1
197592506	ZINC000290093338	ref	4.05	-8.45	0	279.336	1.424	2	4	6	COC(=O)C[C@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
197592507	ZINC000290091578	ref	6.37	-38.95	1	278.396	2.727	2	2	8	CC[C@@H](C[NH2+][C@H](C)CC(=O)Nc1ccccc1C)OC
342595374	ZINC000616965968	ref	5.14	-17.4	0	274.364	1.713	2	2	6	Cc1ccc(CCCCC(=O)N[C@@H]2CCNC2=O)cc1
178301089	ZINC000237169066	high	4.03	-13.43	0	374.51	1.69	1	6	8	COCCNCC(=O)N1CCN(Cc2csc(-c3ccccc3)n2)CC1
192339528	ZINC000273863044	ref	2.46	-9.87	0	273.292	2.471	1	5	4	NC(=O)c1cc(-c2nc(CC3=CCCCC3)no2)co1
178301091	ZINC000237154946	ref	5.65	-48.76	1	352.456	1.518	1	4	5	COC(=O)c1ccccc1CS(=O)(=O)N(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178301093	ZINC000237175799	ref	5.02	-55.03	1	359.451	1.802	1	3	3	C[NH2+]C1CCN(S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)CC1
178301096	ZINC000237158912	ref	5.97	-64.66	1	358.485	1.687	1	5	6	COC(=O)c1sccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1
178301099	ZINC000237155827	ref	6.72	-45.72	1	358.36	1.761	1	3	7	COCC[NH2+]CC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
192339531	ZINC000273861266	ref	4.38	-13.64	0	283.278	3.118	0	5	7	CCCCc1nc(-c2cccnc2OCC(F)F)no1
398248583	ZINC000651459606	ref	8.17	-10.13	0	284.35	3.006	1	1	1	C[C@]12CCN(C(=O)NC3CC4(CCC4)C3)C[C@H]1C2(F)F
398248587	ZINC000651459634	ref	7.42	-7.37	0	272.339	3.006	1	1	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)CCC1(F)F
398248591	ZINC000651460084	ref	8.02	-9.4	0	288.366	3.256	2	1	3	O=C(NC1CC2(CCC2)C1)N[C@@H]1C[C@]1(F)c1ccccc1
192339534	ZINC000273863738	ref	5.3	-62.74	0	284.306	1.692	1	2	2	C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@H]1[NH+](C)C
342595375	ZINC000590777268	ref	2.39	-51.47	-1	291.267	1.262	1	6	4	CCc1nn(C)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]
342078583	ZINC000046492931	ref	6.0	-17.95	0	276.336	1.018	0	4	2	O=C(Cn1ccccc1=O)N1CCO[C@@H]2CCCC[C@H]21
342078584	ZINC000031780487	ref	4.98	-23.87	0	277.711	1.844	1	4	3	Cc1c(Cl)cccc1NC(=O)Cn1cccnc1=O
290622427	ZINC000492521218	ref	5.35	-13.67	0	293.363	2.299	1	4	8	CCOCCN(C)C(=O)/C=C\c1ccc(O)c(OCC)c1
342078585	ZINC000172511332	ref	1.95	-13.0	0	255.362	1.518	3	2	5	CCC(CC)NC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1
342078586	ZINC000625295386	ref	0.04	-10.4	0	273.283	1.826	2	3	4	CC[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1
342078587	ZINC000625295386	mid	2.92	-46.75	1	273.283	1.826	2	3	4	CC[N@H+]1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1
343993830	ZINC000599270303	ref	5.25	-41.57	1	252.358	1.542	2	3	6	C[N@H+](C[C@@H](O)CC1(C#N)CC1)C[C@H]1CCCCO1
365633636	ZINC000336550542	ref	5.69	-14.24	0	299.305	2.382	1	3	2	CN1C(=O)CCc2cc(C(=O)Nc3cncc(F)c3)ccc21
343993834	ZINC000599270303	mid	5.55	-42.11	1	252.358	1.542	2	3	6	C[N@@H+](C[C@@H](O)CC1(C#N)CC1)C[C@H]1CCCCO1
365633646	ZINC000336550355	ref	5.98	-12.33	0	291.322	2.036	0	3	2	O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1ccccc1F
342078588	ZINC000625295386	mid	0.04	-10.4	0	273.283	1.826	1	4	4	CCN1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1
185087909	ZINC000096072843	ref	5.29	-12.71	0	288.307	1.117	0	6	2	O=C(c1ccno1)N1CC[C@@]2(C[C@@H](n3ccnc3)CO2)C1
185087910	ZINC000096072843	low	6.08	-42.04	1	288.307	1.117	0	5	2	O=C(c1ccno1)N1CC[C@@]2(C[C@@H](n3cc[nH+]c3)CO2)C1
185087912	ZINC000096074255	ref	7.99	-36.28	1	287.407	2.527	2	3	4	c1ccc(N[C@@H]2COC3(CC[NH+](CC4CC4)CC3)C2)nc1
185087914	ZINC000096074255	low	8.47	-78.19	2	287.407	2.527	2	2	4	c1ccc(N[C@@H]2COC3(CC[NH+](CC4CC4)CC3)C2)[nH+]c1
185087916	ZINC000096074708	ref	3.43	-35.58	1	281.425	1.748	1	4	2	Cc1nc(CN2CCC3(CC2)COCC[N@H+]3C)cs1
185087918	ZINC000096074708	mid	3.43	-35.15	1	281.425	1.748	1	4	2	Cc1nc(CN2CCC3(CC2)COCC[N@@H+]3C)cs1
185087920	ZINC000096074708	mid	2.25	-4.23	0	281.425	1.748	0	5	2	Cc1nc(CN2CCC3(CC2)COCCN3C)cs1
185386245	ZINC000096752989	ref	0.96	-14.13	0	323.34	1.614	1	5	5	O=C(NCCCN1CCOCC1)c1scnc1C(F)(F)F
185087923	ZINC000096072311	ref	2.3	-15.9	0	292.339	-0.023	1	6	4	CNC(=O)CO[C@@H]1CO[C@]2(CCN(c3cnccn3)C2)C1
342078589	ZINC000625296136	ref	6.05	-13.78	0	297.358	1.877	1	4	5	CCc1nc(CCNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)no1
342078590	ZINC000618606976	ref	3.49	-9.63	0	262.3	1.454	2	2	7	CCCNC(=O)CCC(=O)NC[C@]1(C)CC1(F)F
178301101	ZINC000237155827	high	5.37	-12.74	0	358.36	1.761	1	4	7	COCCNCC(=O)N1CCC(C(=O)c2c(F)cc(F)cc2F)CC1
178301103	ZINC000237162983	ref	5.25	-54.36	1	351.472	1.358	1	3	4	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O
190493533	ZINC000269428642	ref	1.96	-17.96	0	270.276	1.048	2	3	7	C=CC(=O)NCCC(=O)NCCSC(F)(F)F
365633638	ZINC000617415619	ref	3.64	-35.27	1	264.329	0.623	3	3	2	Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1C
349534632	ZINC000093284777	ref	4.36	-16.15	0	289.339	0.866	2	5	6	COc1ccc(CCNC(=O)NCc2ncn(C)n2)cc1
365633645	ZINC000617415619	mid	3.13	-37.41	1	264.329	0.623	3	3	2	Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1C
349534638	ZINC000093285733	ref	5.57	-40.43	1	294.403	0.879	3	4	5	Cn1cnc(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)n1
365633651	ZINC000617415619	high	0.77	-8.49	0	264.329	0.623	2	4	2	Cc1n[nH]c(=O)c(C(=O)N[C@@H]2CCCN(C)C2)c1C
178301105	ZINC000237165041	ref	9.07	-55.93	1	374.51	1.937	1	5	4	C[NH2+]C1CCN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)CC1
282122283	ZINC000246179758	ref	5.77	-47.21	1	318.425	0.826	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CC2
282122303	ZINC000246179758	mid	6.18	-47.17	1	318.425	0.826	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CC2
295666259	ZINC000094087063	ref	7.57	-9.9	0	285.453	2.934	0	3	2	CS[C@H]1CCCCN(C(=O)C2C[C@H](C)O[C@@H](C)C2)C1
295666261	ZINC000154491457	ref	8.35	-11.51	0	349.5	3.331	2	3	4	CS[C@H]1CCCCN(C(=O)C(C)(C)NC(=O)Nc2ccccc2)C1
295666267	ZINC000334490900	ref	8.35	-6.36	0	273.467	3.016	0	3	3	CS[C@H]1CCCCN(C(=O)C2(SC)CCC2)C1
365633657	ZINC000617423374	ref	4.05	-18.6	0	291.355	0.871	2	5	5	C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365633668	ZINC000617423710	ref	3.17	-16.87	0	273.3	0.225	2	7	2	Cc1ncc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c(N)n1
365633679	ZINC000617415801	ref	-0.06	-23.27	0	262.375	0.02	1	4	4	CC(C)S(=O)(=O)CC(=O)N[C@H]1CCCN(C)C1
365633688	ZINC000617415801	low	2.84	-61.24	1	262.375	0.02	2	3	4	CC(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@H+](C)C1
365633698	ZINC000617415801	low	2.3	-57.38	1	262.375	0.02	2	3	4	CC(C)S(=O)(=O)CC(=O)N[C@H]1CCC[N@@H+](C)C1
365633707	ZINC000617424741	ref	2.28	-16.56	0	252.318	0.809	2	5	4	CC[C@](C)(CO)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
259308248	ZINC000215074267	ref	8.78	-45.19	1	234.387	3.485	1	1	5	CC(C)[C@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1
365633720	ZINC000617423697	ref	4.89	-17.21	0	299.338	0.794	2	7	3	C[C@H]1C[C@H](NC(=O)c2cnc(C3CC3)nc2N)c2ncnn21
365633639	ZINC000274352715	ref	6.57	-18.3	0	299.334	1.832	2	5	5	Cc1oc2ccccc2c1CNC(=O)NCCn1cncn1
365633649	ZINC000274355978	ref	3.2	-11.47	0	282.344	1.105	2	6	4	C[C@H](CNC(=O)OC(C)(C)C)Nc1nccn(C)c1=O
365633662	ZINC000274355886	ref	2.92	-11.72	0	294.399	1.969	3	3	5	Cc1n[nH]cc1CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C
342078591	ZINC000076457007	ref	6.43	-11.8	0	299.374	1.491	0	4	5	N#Cc1cccc(OCCN2CCN(C(=O)C3CC3)CC2)c1
365633670	ZINC000274355886	mid	2.88	-11.29	0	294.399	1.969	3	3	5	Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCCO[C@@H]1C(C)C
342078592	ZINC000076457007	low	8.76	-54.0	1	299.374	1.491	1	3	5	N#Cc1cccc(OCC[NH+]2CCN(C(=O)C3CC3)CC2)c1
365633678	ZINC000274356758	ref	3.53	-15.01	0	269.304	1.053	1	3	2	CNC(=O)C1CN(C(=O)c2cncc3ccccc23)C1
365633689	ZINC000274352710	ref	4.33	-35.82	1	290.363	1.422	2	3	7	CC[C@H](CO)[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O
365633699	ZINC000274354904	ref	5.59	-7.26	0	288.351	1.596	1	4	2	O=C(Nc1cncnc1)C(=O)N1CCC[C@H]1C1CCCC1
342078593	ZINC000625295427	ref	8.09	-11.07	0	294.399	1.492	0	6	7	CCOC[C@H]1CN(c2nnc(CC)n2CC2CC2)CCO1
342078594	ZINC000625296002	ref	4.55	-49.92	1	269.389	1.145	1	2	1	CC(C)[C@@H]1CN(C(=O)N2C[C@H](C)O[C@H](C)C2)CC[NH2+]1
136229163	ZINC000292837305	mid	5.53	-42.29	1	245.326	1.291	3	1	5	C#CCNC(=O)CC[N@H+]1CCC[C@H]1c1ccc[nH]1
365633710	ZINC000274356387	ref	3.58	-21.44	0	276.336	1.107	2	3	5	COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CC(N)=O
136229164	ZINC000292837305	high	3.31	-9.75	0	245.326	1.291	2	2	5	C#CCNC(=O)CCN1CCC[C@H]1c1ccc[nH]1
365633722	ZINC000274352912	ref	5.74	-6.48	0	263.337	1.835	1	4	5	COC(=O)[C@@H](NC[C@H]1CCOC1)c1ccccc1C
342078595	ZINC000625296002	high	3.41	-8.58	0	269.389	1.145	1	3	1	CC(C)[C@@H]1CN(C(=O)N2C[C@H](C)O[C@H](C)C2)CCN1
342078596	ZINC000608853532	ref	6.23	-22.7	0	256.309	1.685	1	4	4	CC[C@@](C)(C#N)NC(=O)Cc1cn2ccccc2n1
342078597	ZINC000608853532	low	6.52	-38.09	1	256.309	1.685	1	3	4	CC[C@@](C)(C#N)NC(=O)Cc1cn2ccccc2[nH+]1
365633726	ZINC000274352912	low	6.67	-41.5	1	263.337	1.835	1	3	5	COC(=O)[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1C
168366014	ZINC000074308573	low	4.83	-96.13	2	175.235	1.224	1	1	2	C[C@@H]([NH3+])Cc1c[nH+]c2ccccn12
342078598	ZINC000625296279	ref	3.95	-39.95	1	257.374	1.587	1	3	6	C[C@H]([NH2+]CCOC1CCOCC1)C1CCOCC1
342078599	ZINC000625295370	ref	4.47	-8.91	0	256.39	1.648	2	2	6	CCO[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)C(C)C
398248581	ZINC000649442906	ref	4.89	-47.98	1	242.322	1.667	2	1	2	O=C1NCC[C@@H]1c1cccc(C2=CC[NH2+]CC2)c1
398248585	ZINC000649442943	ref	6.68	-51.31	1	225.295	2.315	1	2	1	Cc1ncnc2ccc(C3=CC[NH2+]CC3)cc12
178301108	ZINC000237155066	ref	5.37	-53.07	1	365.499	1.685	1	3	4	C[NH2+]C1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)CC1
178301110	ZINC000237163026	ref	5.24	-55.0	1	351.472	1.357	1	3	4	C[NH2+]C[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O
178301112	ZINC000237154886	ref	6.64	-59.21	1	354.476	1.998	2	6	8	COC(=O)CCCc1nnc(NC(=O)C[C@H](C)C2CC[NH2+]CC2)s1
178301115	ZINC000237157159	ref	8.42	-71.57	-1	361.373	1.72	1	6	6	COC[C@](C)(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C(=O)[O-]
398248589	ZINC000649442958	ref	6.11	-45.55	1	245.366	2.623	2	1	4	CC(C)[C@@H](O)Cc1ccccc1C1=CC[NH2+]CC1
178301117	ZINC000237158958	ref	5.17	-51.01	1	362.474	1.591	3	3	8	COCC[NH2+]CC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1
398248592	ZINC000649442685	ref	4.39	-7.57	0	221.304	1.728	0	4	3	CCO[C@@H]1CCN(c2cccnn2)C[C@@H]1C
178301118	ZINC000237158958	high	3.8	-14.64	0	362.474	1.591	3	4	8	COCCNCC(=O)N1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1
178301120	ZINC000237164793	ref	5.44	-57.72	1	362.518	1.855	3	2	5	C[NH2+]C1CCN(C(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)CC1
178301123	ZINC000237154914	ref	6.6	-56.77	1	354.476	1.998	2	6	8	COC(=O)CCCc1nnc(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)s1
398248595	ZINC000649442651	ref	10.48	-38.16	1	245.391	3.828	1	1	4	Cc1sccc1-c1ccc(CC[NH+](C)C)cc1
398248597	ZINC000649443030	ref	3.82	-42.35	1	203.285	1.598	2	1	3	OCCc1ccccc1C1=CC[NH2+]CC1
398248599	ZINC000649442870	ref	6.18	-45.45	1	232.327	2.636	1	2	2	CC(C)(C)Oc1cccc(C2=CC[NH2+]CC2)n1
398248602	ZINC000649442877	ref	7.22	-7.35	0	225.291	3.3	0	2	1	Cc1cnc(-c2ccc3c(c2)CCO3)c(C)c1
178301126	ZINC000237167875	ref	5.33	-43.53	1	365.518	1.69	2	3	7	COCCC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCCC1
398248605	ZINC000649442948	ref	6.59	-44.58	1	215.296	2.387	1	1	1	C[C@@H]1Cc2cc(C3=CC[NH2+]CC3)ccc2O1
197592510	ZINC000290091670	ref	10.01	-17.58	0	264.354	2.202	0	6	5	CCCC(=O)CSc1nnc2nc(C)cc(C)n12
349534633	ZINC000621235837	ref	6.17	-7.08	0	268.401	2.328	1	2	6	CCC(=O)N[C@@H](C)C(=O)N(CC(C)C)C1CCCC1
398248608	ZINC000649442884	ref	5.86	-45.1	1	244.338	2.78	1	2	3	C1=C(c2ccc(OC3CCCC3)nc2)CC[NH2+]C1
398248582	ZINC000650869271	mid	6.64	-43.17	1	285.432	1.927	2	2	7	CCCC[N@@H+](C)CCNC(=O)N1C[C@@H](CC)OC[C@@H]1C
398248584	ZINC000650869271	high	4.33	-7.49	0	285.432	1.927	1	3	7	CCCCN(C)CCNC(=O)N1C[C@@H](CC)OC[C@@H]1C
398248586	ZINC000650869183	ref	4.11	-43.57	1	259.394	1.131	3	2	9	CCCC[N@H+](C)CCNC(=O)N(C)[C@@H](C)CCO
398248588	ZINC000650869183	mid	4.11	-43.59	1	259.394	1.131	3	2	9	CCCC[N@@H+](C)CCNC(=O)N(C)[C@@H](C)CCO
398248590	ZINC000650869183	high	1.78	-9.09	0	259.394	1.131	2	3	9	CCCCN(C)CCNC(=O)N(C)[C@@H](C)CCO
398248593	ZINC000650869989	ref	1.43	-10.47	0	270.373	1.263	3	3	5	CC1(C)C[C@H]1CNC(=O)NCC[C@@]1(O)CCCOC1
342078600	ZINC000625295370	mid	7.31	-45.6	1	256.39	1.648	2	2	6	CCO[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)C(C)C
398248596	ZINC000650869929	ref	1.07	-15.64	0	293.371	1.088	3	4	5	CC(C)n1cc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)cn1
398248600	ZINC000650869476	ref	4.7	-8.28	0	266.385	1.979	2	2	3	CC1(C)C[C@H]1CNC(=O)N1CCC(C2(O)CC2)CC1
398248603	ZINC000650870611	ref	2.56	-8.04	0	256.346	1.137	2	3	7	C[C@H](COCC1CC1)NC(=O)NCC1(C)COC1
398248606	ZINC000650870661	ref	3.8	-8.1	0	270.373	1.622	1	3	4	CC[C@H]1CO[C@H](CC)CN1C(=O)NCC1(C)COC1
398248609	ZINC000650870778	ref	5.29	-16.57	0	293.342	1.919	2	2	2	O=C(NCc1cc2c([nH]c1=O)CCC2)N1CCC[C@@H](F)C1
398248612	ZINC000650870721	ref	3.48	-8.43	0	270.373	1.527	2	3	7	C[C@@H](COCC1CC1)NC(=O)NC[C@]1(C)CCOC1
398248615	ZINC000650870489	ref	5.45	-18.51	0	275.352	1.48	2	3	4	O=C(NCCn1ccccc1=O)NC1CC2(CCC2)C1
398248619	ZINC000650870703	ref	1.63	-17.35	0	288.351	1.61	3	4	7	C[C@H](CCO)CCNC(=O)c1ccnc(-c2ncc[nH]2)c1
398248622	ZINC000650870301	ref	2.77	-11.98	0	298.358	1.646	3	3	8	COc1cccc(C[C@@H](C)NC(=O)N[C@H](CO)CCF)c1
398248628	ZINC000650870554	ref	3.14	-8.21	0	256.346	1.232	1	3	3	CC[C@H]1CN(C(=O)NCC2(C)COC2)[C@H](C)CO1
398249434	ZINC000097163154	mid	4.57	-18.15	0	217.228	1.34	1	3	1	O=C(c1cccc2[nH]cnc12)N1CCCO1
398249439	ZINC000285191548	ref	8.0	-3.93	0	233.239	3.126	0	3	4	CCSCc1c(F)cc([N+](=O)[O-])cc1F
365633642	ZINC000641600758	ref	5.29	-41.86	1	294.424	1.897	3	5	6	CCc1cc2c(N[C@H](CO)C[NH+](C)C)nc(C)nc2s1
398249448	ZINC000390796978	ref	1.52	-8.9	0	238.312	1.411	2	4	2	C[C@@H]1SCC[C@H]1NC(=O)c1cncc(O)c1
398249454	ZINC000390796978	mid	2.27	-43.19	-1	238.312	1.411	1	4	2	C[C@@H]1SCC[C@H]1NC(=O)c1cncc([O-])c1
398249458	ZINC000650440317	ref	5.25	-12.06	0	237.328	2.335	2	3	4	CSc1cccnc1NC(=O)NCC1CC1
398249466	ZINC000390800190	ref	5.25	-40.85	1	237.372	2.33	1	3	3	Cc1nccnc1[C@H](C)[NH2+][C@H]1CCS[C@H]1C
365633647	ZINC000625067964	ref	6.1	-12.94	0	316.409	2.083	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCC2(CCO2)CC1
365633655	ZINC000625069911	ref	3.07	-12.81	0	314.389	2.173	1	5	6	COc1cncc(CN(C)CC(=O)Nc2c(C)cccc2C)n1
365633665	ZINC000625069039	ref	7.17	-10.48	0	318.425	2.187	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)C[C@@H]1CCCOC1
365633675	ZINC000625069725	ref	6.22	-15.04	0	300.402	2.269	2	2	3	C[C@H](C(=O)N[C@@]1(C)CCCc2ccccc21)[C@H]1CCC(=O)N1
282122292	ZINC000533469470	ref	6.06	-40.63	1	279.428	1.631	2	2	6	CC1=C(C(=O)NCCCC[NH+]2CCN(C)CC2)CCC1
282122296	ZINC000533469470	mid	6.03	-38.15	1	279.428	1.631	2	2	6	CC1=C(C(=O)NCCCCN2CC[NH+](C)CC2)CCC1
365633680	ZINC000625069360	ref	5.23	-12.7	0	318.425	2.33	1	6	6	COC[C@H]1CCCCN1c1nnc(-c2cn[nH]c2)n1CC(C)C
365633690	ZINC000625068168	ref	2.64	-13.19	0	314.389	2.118	1	5	7	CCc1ccccc1NC(=O)CN(C)Cc1cncc(OC)n1
365633700	ZINC000625069418	ref	2.95	-9.45	0	319.467	2.067	1	4	6	CCC1(CC)[C@@H](OC)C[C@H]1NS(=O)(=O)[C@@H]1COC(C)(C)C1
365633709	ZINC000625069419	ref	2.62	-9.3	0	319.467	2.067	1	4	6	CCC1(CC)[C@H](NS(=O)(=O)[C@@H]2COC(C)(C)C2)C[C@H]1OC
342078601	ZINC000625295370	high	4.47	-8.91	0	256.39	1.648	1	3	6	CCO[C@H](C(=O)N[C@@H]1CCCN(CC)C1)C(C)C
365633717	ZINC000625069361	ref	5.71	-12.23	0	318.425	2.33	1	6	6	CCN(c1nnc(-c2cn[nH]c2)n1CC(C)C)[C@H]1CCCOC1
365633724	ZINC000625069445	ref	7.03	-11.64	0	318.425	2.187	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC1CCOCC1
365633733	ZINC000625069292	ref	5.28	-9.45	0	321.442	2.059	1	3	4	CC1(C)C[C@H](S(=O)(=O)NC[C@H]2[C@H]3c4ccccc4C[C@H]32)CO1
136229165	ZINC000184903663	ref	4.33	-9.2	0	213.321	2.13	1	2	7	C=CC[C@@H](C)NC(=O)C(C)(C)CCOC
365633742	ZINC000625067124	ref	7.46	-11.36	0	306.439	2.266	1	6	5	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)[C@H]1CCSC1
365633752	ZINC000625069727	ref	6.2	-12.23	0	300.402	2.269	2	2	3	C[C@H](C(=O)N[C@]1(C)CCCc2ccccc21)[C@H]1CCC(=O)N1
365633759	ZINC000625070346	ref	6.99	-11.12	0	318.425	2.187	1	6	6	COCC1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC1
365633768	ZINC000625068574	ref	6.6	-11.08	0	316.409	2.083	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCOC2(CCC2)C1
259308251	ZINC000394126507	ref	5.05	-40.63	1	239.334	2.488	2	1	6	Cc1cccc(C[NH2+]C[C@@H](CO)C(C)C)c1F
136229166	ZINC000184904635	ref	6.25	-8.0	0	245.322	2.231	1	2	6	C#CCC(C)(C)C(=O)NCCOc1ccccc1
214184544	ZINC000337623211	ref	1.97	-14.45	0	260.403	0.746	1	3	7	CCN(CC)CC(=O)NCC1([S@](C)=O)CCC1
214184546	ZINC000337623211	mid	3.97	-49.19	1	260.403	0.746	2	2	7	CC[NH+](CC)CC(=O)NCC1([S@](C)=O)CCC1
214184549	ZINC000337623663	ref	1.53	-17.55	0	268.313	0.567	2	4	7	CCN(CCOCCO)C(=O)c1c[nH]c(=O)cc1C
214184551	ZINC000337621305	ref	3.4	-15.18	0	287.356	0.433	1	5	7	COC(=O)[C@@H]1CCC[C@H](C(=O)N(C)CCOCCO)C1
214184553	ZINC000337621169	ref	8.85	-8.36	0	273.376	3.106	1	2	6	CC[C@@H]1C[C@@]1(NC(=O)CCC(C)=O)c1cccc(C)c1
136229167	ZINC000137096846	ref	5.61	-10.91	0	223.276	1.639	2	3	7	C=CCOCCCC(=O)Nc1nc(C)c[nH]1
214184556	ZINC000337622420	ref	4.42	-11.83	0	294.351	3.115	2	3	4	CC(C)[C@@H](NC(=O)c1csc(=O)[nH]1)c1ccc(F)cc1
342078602	ZINC000625295183	ref	4.35	-25.18	0	288.347	1.131	2	3	3	Cc1cccc2c1CC[C@H]2NC(=O)[C@@H]1CC[C@H](C(N)=O)O1
343993831	ZINC000139198441	ref	4.94	-31.03	1	162.236	1.801	1	1	2	C/[NH+]=C/c1ccc(N(C)C)cc1
365633652	ZINC000641600758	high	2.78	-7.33	0	294.424	1.897	2	6	6	CCc1cc2c(N[C@H](CO)CN(C)C)nc(C)nc2s1
342078603	ZINC000172511336	ref	1.53	-11.41	0	255.362	1.518	3	2	5	CCC(CC)NC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1
214184560	ZINC000337622420	high	3.43	-33.26	-1	294.351	3.115	1	3	4	CC(C)[C@@H](NC(=O)c1csc(=O)[n-]1)c1ccc(F)cc1
214184562	ZINC000337622449	ref	4.09	-10.9	0	285.771	2.038	1	3	6	Cc1cc(Cl)c(C(=O)N(C)CCOCCO)cc1C
365633659	ZINC000641601062	ref	3.68	-11.2	0	275.414	1.911	1	3	7	COC1CC(CCNS(=O)(=O)CC2(C)CCC2)C1
214184565	ZINC000337622670	ref	6.96	-7.12	0	294.345	3.205	2	1	5	O=C(NCC1(c2ccccc2)CCC1)NC1(C(F)F)CC1
214184568	ZINC000337621372	ref	8.41	-12.7	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2CC[C@H](C)C2)n1
365633672	ZINC000641601515	ref	2.59	-11.33	0	298.408	1.529	1	4	5	C[C@H](CNS(=O)(=O)[C@@H]1CCOC[C@H]1C)c1ccccn1
342078604	ZINC000625295368	ref	4.27	-9.9	0	256.39	1.648	2	2	6	CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)C(C)C
214184571	ZINC000337621459	ref	8.69	-9.87	0	297.28	3.227	2	2	3	Cc1cccc(C)c1CC(=O)Nc1nc(C(F)(F)F)c[nH]1
342078605	ZINC000625295368	mid	7.29	-45.62	1	256.39	1.648	2	2	6	CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)C(C)C
214184573	ZINC000337621459	mid	8.61	-9.05	0	297.28	3.227	2	2	3	Cc1cccc(C)c1CC(=O)Nc1ncc(C(F)(F)F)[nH]1
342078606	ZINC000625295368	high	4.27	-9.9	0	256.39	1.648	1	3	6	CCO[C@@H](C(=O)N[C@@H]1CCCN(CC)C1)C(C)C
342078607	ZINC000089764516	ref	3.28	-28.11	0	292.36	1.996	1	4	4	CC(C)S(=O)(=O)CC(=O)Nc1cncc2ccccc12
136229168	ZINC000184906487	ref	3.47	-14.49	0	238.331	1.313	1	2	4	C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](C(N)=O)C1
190493536	ZINC000269427840	ref	2.75	-10.7	0	251.326	1.513	2	3	6	CC(C)Oc1cccc(CC(=O)N[C@H](C)CO)c1
290622434	ZINC000492521113	ref	6.32	-17.6	0	297.314	2.224	1	5	4	COC(=O)c1ccc(/C=C\C(=O)Nc2ccnnc2C)cc1
342078608	ZINC000402852661	ref	6.44	-46.18	1	287.363	1.998	1	4	5	CCN(CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCOC1
290622437	ZINC000492521827	ref	2.16	-17.06	0	273.292	2.166	3	4	5	CCOc1cc(/C=C\C(=O)Nc2cn[nH]c2)ccc1O
349534634	ZINC000621493426	ref	7.38	-9.1	0	274.355	3.3	2	1	7	CCC[C@H](NC(=O)NCC[C@H]1CC1(F)F)C1CCC1
290622440	ZINC000492521728	ref	4.11	-13.5	0	271.32	2.394	2	4	3	Cc1cccc(O)c1NC(=O)/C=C\c1cnn(C)c1C
290622441	ZINC000492521728	high	5.44	-61.68	-1	271.32	2.394	1	4	3	Cc1cccc([O-])c1NC(=O)/C=C\c1cnn(C)c1C
342078609	ZINC000402852661	mid	6.35	-45.96	1	287.363	1.998	2	3	5	CC[N@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCOC1
185087933	ZINC000096072535	ref	6.12	-11.51	0	298.346	1.688	0	6	3	c1cncc(O[C@@H]2CO[C@@]3(CCN(c4ccncn4)C3)C2)c1
282122293	ZINC000449153345	ref	7.2	-50.74	1	252.402	2.41	1	1	3	CC(C)N1C[C@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1=O
342078610	ZINC000402852661	mid	6.35	-45.96	1	287.363	1.998	2	3	5	CC[N@@H+](CC(=O)Nc1ccc(C#N)cc1)[C@@H]1CCCOC1
342078611	ZINC000625295296	ref	5.38	-42.72	1	254.374	1.402	2	2	6	COC1CC(C(=O)NCC[N@H+](C)C2CCCC2)C1
342078612	ZINC000625295296	mid	5.38	-42.72	1	254.374	1.402	2	2	6	COC1CC(C(=O)NCC[N@@H+](C)C2CCCC2)C1
282122298	ZINC000449153358	ref	6.22	-9.79	0	279.405	2.364	2	3	6	Cc1ccc(SCCNC(=O)[C@@H](O)C2CCC2)cc1
282122304	ZINC000449153258	ref	4.83	-40.73	1	253.386	2.086	2	2	4	O[C@@H](C[NH2+][C@@H]1CCCC12CCC2)C1CCOCC1
185087942	ZINC000096074489	ref	6.05	-45.64	1	287.363	1.196	2	3	4	CNC(=O)C1=NO[C@@]2(CC[N@H+](CCc3ccccc3)C2)C1
185087944	ZINC000096074489	mid	6.05	-45.55	1	287.363	1.196	2	3	4	CNC(=O)C1=NO[C@@]2(CC[N@@H+](CCc3ccccc3)C2)C1
185087945	ZINC000096074489	mid	3.57	-7.06	0	287.363	1.196	1	4	4	CNC(=O)C1=NO[C@@]2(CCN(CCc3ccccc3)C2)C1
185087947	ZINC000096073519	ref	4.34	-7.67	0	291.395	1.96	1	4	5	c1cc(CN2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
187169457	ZINC000125096893	ref	5.53	-7.51	0	261.369	2.116	1	4	2	Cc1cc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)nc(C(C)C)n1
293078441	ZINC000561317883	high	2.02	-55.94	-1	277.349	1.706	1	5	5	C[C@@H](CNC(=O)Cc1cncc([O-])c1)c1nccs1
365633654	ZINC000336550624	ref	5.23	-8.13	0	297.349	2.373	1	2	3	CC[C@@H](NC(=O)N1CCN(C)CC1)c1cc(F)ccc1F
282122294	ZINC000248969477	ref	5.45	-46.56	1	310.35	1.685	2	5	7	COc1ccc(OCC[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1
282122297	ZINC000248969477	mid	5.97	-43.18	1	310.35	1.685	2	5	7	COc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1
282122302	ZINC000248969477	high	3.33	-10.98	0	310.35	1.685	1	6	7	COc1ccc(OCCN2CC[C@@H](C)[C@@H]2CO)c([N+](=O)[O-])c1
187169458	ZINC000125096893	low	6.01	-23.97	1	261.369	2.116	1	3	2	Cc1cc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)nc(C(C)C)[nH+]1
282122308	ZINC000248970278	ref	4.95	-38.67	1	301.412	1.021	0	5	6	Cc1nccn1CCCN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C
282122314	ZINC000248970278	mid	4.95	-38.67	1	301.412	1.021	0	4	6	Cc1[nH+]ccn1CCCN(C)S(=O)(=O)[C@@H]1CCO[C@H]1C
282122318	ZINC000248970338	ref	6.87	-40.81	1	310.438	1.657	0	4	3	CC[C@]1(C)CN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1
365633658	ZINC000336550624	mid	7.58	-45.39	1	297.349	2.373	2	1	3	CC[C@@H](NC(=O)N1CC[NH+](C)CC1)c1cc(F)ccc1F
365633667	ZINC000336550085	ref	1.71	-13.64	0	294.33	2.239	2	3	3	C[C@H](NC(=O)N1CC[C@@](C)(C(N)=O)C1)c1cncc(F)c1
365633676	ZINC000336550310	ref	5.99	-10.67	0	291.322	2.036	0	3	2	O=C1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(F)c1
290622439	ZINC000454966494	ref	8.88	-8.17	0	272.392	2.985	1	1	1	C[C@H]1CC[C@@H]1NC(=O)N1CCCc2ccccc2CC1
365633685	ZINC000336550673	ref	6.94	-18.58	0	260.341	2.116	0	4	3	CCn1ccnc1[C@H]1CCCCN1C(=O)[C@@H](C)C#N
187169459	ZINC000125099902	ref	4.48	-9.6	0	297.424	2.35	1	5	6	CCOCC(=O)Nc1nc(CN2CCC(C)CC2)cs1
365633695	ZINC000336550673	low	7.33	-33.47	1	260.341	2.116	0	3	3	CCn1cc[nH+]c1[C@H]1CCCCN1C(=O)[C@@H](C)C#N
365633702	ZINC000336550673	high	6.94	-18.58	0	260.341	2.116	0	4	3	CCn1ccnc1[C@H]1CCCCN1C(=O)C(C)C#N
342595376	ZINC000590777268	low	4.23	-20.14	0	291.267	1.262	2	6	4	CCc1nn(C)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
168366015	ZINC000054526474	ref	5.5	-51.03	1	194.282	1.283	1	3	3	C[C@@H]([NH3+])Cc1nncn1C1CCCC1
187169460	ZINC000125099902	low	7.24	-39.7	1	297.424	2.35	2	4	6	CCOCC(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1
259308253	ZINC000394126507	high	3.87	-4.52	0	239.334	2.488	2	2	6	Cc1cccc(CNC[C@@H](CO)C(C)C)c1F
342595377	ZINC000590777470	ref	5.42	-47.38	1	253.367	1.951	1	3	5	COc1ccc2c(c1)C[C@@H]([NH2+]CCSC)CO2
342595378	ZINC000616959914	ref	5.33	-17.29	0	288.391	1.993	2	2	5	CC(C)Cc1ccc([C@H](C)C(=O)N[C@H]2CCNC2=O)cc1
185087950	ZINC000096073519	mid	6.65	-35.04	1	291.395	1.96	2	3	5	c1cc(C[N@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
178301132	ZINC000237175874	ref	6.58	-89.38	2	372.513	1.515	4	2	7	C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1
178301134	ZINC000237175874	high	4.09	-45.45	1	372.513	1.515	3	3	7	CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1
185087952	ZINC000096073519	mid	6.37	-35.99	1	291.395	1.96	2	3	5	c1cc(C[N@@H+]2CCC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
178301137	ZINC000237175009	ref	2.34	-55.44	1	350.44	1.69	2	4	9	COCCOc1ccc(S(=O)(=O)NC[C@H]([NH3+])c2ccccc2)cc1
178301138	ZINC000237175009	high	1.87	-11.54	0	350.44	1.69	2	5	9	COCCOc1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)cc1
178305298	ZINC000237268525	ref	7.55	-55.22	1	372.469	1.443	1	3	7	C[NH2+]CCN(C)C(=O)CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C
185087955	ZINC000096072935	ref	2.91	-42.4	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@@H+](CCO)C3)C2)n1
178305302	ZINC000237277576	ref	3.92	-46.24	1	351.491	1.061	3	3	10	COCC[NH2+]CCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
185087956	ZINC000096072935	mid	2.69	-41.81	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@@H]2CO[C@]3(CC[N@H+](CCO)C3)C2)n1
185087959	ZINC000096072935	high	0.41	-10.72	0	288.351	0.591	2	6	4	N#Cc1cccc(N[C@@H]2CO[C@]3(CCN(CCO)C3)C2)n1
398248594	ZINC000651459824	ref	8.63	-9.7	0	274.339	3.231	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2cc(F)ccc21
136229169	ZINC000292818367	ref	-0.2	-8.04	0	206.192	0.188	2	2	5	C=CCC(F)(F)C(=O)N[C@@H](C)C(N)=O
185087963	ZINC000096073922	ref	7.62	-39.99	1	264.394	2.192	1	2	2	CN1CC[C@]2(CCC[N@H+](Cc3cccs3)C2)C1=O
178305305	ZINC000237277576	high	2.58	-8.41	0	351.491	1.061	3	4	10	COCCNCCNC(=O)CNC(=O)CC12CC3CC(CC(C3)C1)C2
185087965	ZINC000096073922	mid	7.9	-36.24	1	264.394	2.192	1	2	2	CN1CC[C@]2(CCC[N@@H+](Cc3cccs3)C2)C1=O
185087968	ZINC000096074127	ref	7.91	-46.43	1	292.383	0.745	1	4	2	Cn1cnc(C(=O)N2CCC3(CC2)C[C@@H]([NH+](C)C)CO3)c1
178305307	ZINC000237275718	ref	2.96	-47.65	1	353.369	1.905	2	4	10	COCC[NH2+]CCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
185087970	ZINC000096074127	high	5.53	-11.07	0	292.383	0.745	0	5	2	CN(C)[C@H]1COC2(CCN(C(=O)c3cn(C)cn3)CC2)C1
230236248	ZINC000354852471	ref	0.56	-19.28	0	267.333	-0.212	3	4	7	CNC(=O)CCCNC(=O)NCCc1ccn(C)n1
192339529	ZINC000421444528	ref	7.19	-6.63	0	221.344	2.729	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@H]1CC12CC2
342595379	ZINC000616967599	ref	3.02	-17.86	0	276.336	1.077	2	3	5	Cc1cccc(OCCC(=O)N[C@@H]2CCNC2=O)c1C
214184545	ZINC000053485039	ref	1.79	-59.1	-1	344.415	2.214	2	4	3	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
214184548	ZINC000053485039	low	3.61	-18.51	0	344.415	2.214	3	4	3	CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
214184552	ZINC000053465553	ref	7.35	-12.89	0	328.412	3.305	2	3	5	CC(=O)N[C@@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CCCC1
214184555	ZINC000053484983	ref	6.81	-11.73	0	344.386	2.777	2	3	6	O=C(CNC(=O)c1ccoc1)NCC1(c2ccc(F)cc2)CCCC1
214184559	ZINC000053466809	ref	4.52	-18.09	0	349.431	3.136	3	4	7	CCOC(=O)Nc1ccc(NC(=O)CCCNC(=O)C(C)(C)C)cc1
214184566	ZINC000053485034	ref	2.47	-58.83	-1	344.415	2.214	2	4	3	CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
214184570	ZINC000053485034	low	4.28	-17.88	0	344.415	2.214	3	4	3	CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
197592513	ZINC000290093810	ref	4.8	-13.83	0	277.324	2.861	1	5	5	CC[C@H](C)[C@H](NC(C)=O)c1nc(-c2ccoc2C)no1
398248598	ZINC000651460028	ref	8.15	-8.39	0	292.423	3.062	1	2	3	O=C(NC1CC2(CCC2)C1)N1CCC(OC2CCC2)CC1
365633681	ZINC000576588309	ref	3.51	-6.8	0	227.348	2.09	2	2	5	CC[C@@H](CCO)NC(=O)[C@@H]1CC[C@@H](C)CC1
214184580	ZINC000053473082	ref	6.95	-12.36	0	338.432	4.116	1	4	5	O=C(CSc1nc2ccccc2o1)NC1(c2ccccc2)CCC1
214184584	ZINC000053485552	ref	7.7	-15.52	0	344.436	3.698	1	4	5	CCc1ccsc1C(=O)Nc1ccc(OC)c(N2CCCC2=O)c1
214184588	ZINC000053478735	ref	6.97	-24.36	0	345.464	2.758	1	3	7	CCS(=O)(=O)CC(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1
214184593	ZINC000053491881	ref	4.1	-14.18	0	329.322	2.112	2	2	3	NC(=O)C1CCN(C(=O)NCc2ccc(C(F)(F)F)cc2)CC1
214184599	ZINC000053476740	ref	8.4	-17.23	0	334.375	2.395	1	3	3	Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@@H]1CCc3ccccc31)C2=O
214184604	ZINC000053477941	ref	8.26	-17.53	0	346.39	2.698	2	4	5	O=C(NCCCn1cnc2ccccc21)c1cc2ccccc2c(=O)[nH]1
214184609	ZINC000053478780	ref	4.78	-15.57	0	333.407	1.227	2	3	6	O=C(Cc1ccccc1F)NC1CCN(CC(=O)NC2CC2)CC1
187169461	ZINC000125098291	ref	4.88	-41.88	1	287.363	2.603	1	4	7	COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2cnccn2)c1
398249435	ZINC000370236413	ref	7.19	-40.76	1	220.32	1.81	1	3	3	Cc1nnc2n1CCC[C@H]2[NH2+][C@@H](C)C1CC1
398248601	ZINC000651461152	ref	7.66	-7.21	0	292.423	3.062	1	2	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)CC2(CCCC2)O1
187169462	ZINC000125098291	high	3.7	-9.07	0	287.363	2.603	1	5	7	COc1cccc(O[C@@H](C)CN[C@H](C)c2cnccn2)c1
398248604	ZINC000651460295	ref	8.4	-14.72	0	298.386	3.247	1	2	2	CC(=O)c1ccc2c(c1)CN(C(=O)NC1CC3(CCC3)C1)C2
398248607	ZINC000651459069	ref	5.8	-6.4	0	281.44	3.259	2	2	3	CC(C)(O)C1CCC(C(=O)N[C@H]2CCCC2(C)C)CC1
365633686	ZINC000641601078	ref	1.9	-11.28	0	291.413	1.432	1	4	5	CC1(C)C[C@@H](NS(=O)(=O)CC[C@@H]2CCCCO2)CO1
398248611	ZINC000651459591	ref	8.29	-6.74	0	252.402	3.397	1	1	3	CCN(CC(C)(C)C)C(=O)NC1CC2(CCC2)C1
398248614	ZINC000651460087	ref	7.83	-7.56	0	288.366	3.256	2	1	3	O=C(NC1CC2(CCC2)C1)N[C@H]1C[C@]1(F)c1ccccc1
342595380	ZINC000616967474	ref	4.17	-19.54	0	296.411	1.468	2	3	5	CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@H]1CCNC1=O
342595381	ZINC000616959913	ref	5.33	-17.9	0	288.391	1.993	2	2	5	CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
398248617	ZINC000651459847	ref	8.34	-7.46	0	262.397	3.149	1	1	2	CC1(C)CN(C(=O)NC2CC3(CCC3)C2)[C@H]1C1CC1
398248620	ZINC000651460307	ref	7.95	-6.18	0	250.386	3.149	1	1	1	C[C@@H]1CCN(C(=O)NC2CC3(CCC3)C2)[C@H](C)C1
398248627	ZINC000651460227	ref	8.7	-7.72	0	286.419	3.173	1	1	1	C[C@@]12CN(C(=O)NC3CC4(CCC4)C3)C[C@@H]1[C@@H]1C=C[C@H]2C1
398248633	ZINC000651459009	ref	8.02	-7.46	0	294.439	3.166	1	2	5	COCCN(C(=O)NC1CC2(CCC2)C1)[C@H]1CC[C@H](C)C1
398248637	ZINC000651459444	ref	8.79	-8.59	0	274.408	3.293	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC2(CCC2)[C@H]1C1CC1
398248641	ZINC000651459938	ref	6.51	-45.69	1	281.346	3.093	2	1	3	O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCc2c(F)cc(F)cc21
398248645	ZINC000651461200	ref	8.17	-7.69	0	252.402	3.397	1	1	3	CN(CCC(C)(C)C)C(=O)NC1CC2(CCC2)C1
398248649	ZINC000651459006	ref	8.07	-7.29	0	294.439	3.166	1	2	5	COCCN(C(=O)NC1CC2(CCC2)C1)[C@@H]1CC[C@H](C)C1
398248654	ZINC000651459260	ref	7.85	-9.81	0	274.364	3.07	1	2	1	O=C(NC1CC2(CCC2)C1)N1CCCc2occc2C1
398248658	ZINC000651460217	ref	9.16	-7.84	0	274.408	3.149	1	1	3	O=C(NC1CC2(CCC2)C1)N1C[C@H](C2CC2)[C@H]1C1CC1
349534635	ZINC000618812895	ref	5.63	-11.43	0	292.314	1.382	0	5	6	CN(Cc1cn(C)nn1)C(=O)CCOc1ccc(F)cc1
398248663	ZINC000651459033	ref	7.01	-7.65	0	271.364	3.165	1	4	6	Cc1nc2ccccc2nc1N[C@@H](C)COCC1CC1
398248666	ZINC000651459969	ref	7.47	-6.78	0	250.386	3.005	1	1	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)[C@H](C)[C@@H]1C
365633692	ZINC000576590184	ref	7.55	-43.8	0	239.319	1.314	1	4	7	CC(C)C[C@H](C(=O)[O-])[N@H+](C)CCn1cccn1
342078613	ZINC000625296278	ref	3.85	-40.21	1	257.374	1.587	1	3	6	C[C@@H]([NH2+]CCOC1CCOCC1)C1CCOCC1
365633696	ZINC000576590184	mid	7.52	-33.41	0	239.319	1.314	1	4	7	CC(C)C[C@H](C(=O)[O-])[N@@H+](C)CCn1cccn1
365633705	ZINC000576592439	ref	7.82	-61.08	0	239.34	2.819	1	3	3	C[C@H]1CC[C@H](C)[NH+]1Cc1csc(C(=O)[O-])c1
365633711	ZINC000576592439	high	5.77	-48.3	-1	239.34	2.819	0	4	3	C[C@H]1CC[C@H](C)N1Cc1csc(C(=O)[O-])c1
365633721	ZINC000576591544	ref	7.73	-9.86	0	224.333	1.475	0	5	2	Cc1nnc(N2CCSCC2)n1C1CC1
365633729	ZINC000175968198	ref	2.43	-21.6	0	235.287	0.984	2	2	4	C[C@H](C1CC1)N(C)C(=O)c1cc(C(N)=O)c[nH]1
365633737	ZINC000576591267	ref	10.32	-35.77	1	243.394	3.957	1	0	3	C[C@H]1[C@@H](c2ccccc2)C[C@H]1[NH2+][C@@H]1CCC1(C)C
365633745	ZINC000576588733	ref	6.44	-31.65	1	226.408	2.741	1	1	7	CCC(C)(C)[C@H](C)[NH2+]C[C@H](C1CC1)N(C)C
365633751	ZINC000576588733	mid	8.68	-102.83	2	226.408	2.741	2	0	7	CCC(C)(C)[C@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C
365633760	ZINC000576592452	ref	9.53	-40.91	1	239.378	3.827	1	0	5	FC1(CC[NH2+][C@H]2CCC[C@@H](C3CC3)C2)CCC1
365633769	ZINC000576587917	ref	4.97	-7.97	0	249.31	2.227	0	3	4	COc1ccc(N(C)C(=O)C2(OC)CCC2)cc1
365633778	ZINC000576592488	ref	6.8	-8.09	0	215.312	2.629	0	1	3	CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@H](F)C1
365633786	ZINC000175967261	ref	3.5	-13.66	0	243.328	0.29	0	3	2	O=C([C@@H]1C[C@@H]1C1CC1)N1CCS(=O)(=O)CC1
282122295	ZINC000151662875	ref	6.21	-8.14	0	322.474	2.316	1	4	6	Cc1cccc(OC[C@H](C)NC(=O)[C@@H](C)N2CCSCC2)c1
365633797	ZINC000576587767	ref	3.17	-8.6	0	227.304	1.097	1	3	7	CCO[C@@H]1C[C@H]1NC(=O)CC1(COC)CC1
342078614	ZINC000625296057	ref	7.34	-9.49	0	262.357	1.62	0	5	4	CCc1nnc(N2CC3(CCCO3)C2)n1CC1CC1
365633802	ZINC000576588306	ref	3.51	-6.77	0	227.348	2.09	2	2	5	CC[C@H](CCO)NC(=O)[C@@H]1CC[C@@H](C)CC1
365633809	ZINC000576588422	ref	1.5	-19.06	0	246.27	0.325	1	5	1	C[C@H]1C[C@@H](O)CN1C(=O)c1cnc2cccnn12
342078615	ZINC000077828541	ref	2.53	-40.23	1	271.405	1.321	4	2	6	CC[C@@H](CO)NC(=O)NCC1([NH+](C)C)CCCCC1
342078616	ZINC000623714624	ref	4.29	-16.35	0	285.413	1.192	2	3	4	CNC(=O)CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)S2
365633817	ZINC000576588803	ref	5.7	-46.37	-1	249.314	1.899	0	5	3	CC(C)c1nccnc1N1CC[C@H](C(=O)[O-])[C@H]1C
365633825	ZINC000576588833	ref	2.25	-11.65	0	248.286	1.405	2	4	3	COc1cncc(NC(=O)N[C@@H]2[C@H]3CCC[C@H]32)n1
365633830	ZINC000576595007	ref	3.26	-19.99	0	219.248	0.414	3	3	4	Cc1[nH]ccc1C(=O)NCCc1nnc[nH]1
185087972	ZINC000096072165	ref	7.99	-37.54	1	275.396	2.169	1	3	3	Cn1cc([C@@H]2CO[C@@]3(CC[N@H+](CC4CCC4)C3)C2)cn1
185087974	ZINC000096072165	mid	7.92	-38.18	1	275.396	2.169	1	3	3	Cn1cc([C@@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)cn1
185087977	ZINC000096072913	ref	2.37	-39.62	1	264.325	0.686	2	4	4	OCC[N@@H+]1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
185087979	ZINC000096072913	mid	2.15	-39.33	1	264.325	0.686	2	4	4	OCC[N@H+]1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
185087980	ZINC000096072913	high	-0.03	-7.31	0	264.325	0.686	1	5	4	OCCN1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
185087982	ZINC000096073364	ref	10.27	-32.96	1	291.41	3.853	1	1	3	CC(C)[C@H]1CO[C@@]2(CCC[N@H+](Cc3ccccc3F)C2)C1
342595382	ZINC000590777518	ref	4.16	-6.18	0	266.345	1.986	2	4	6	CSCCN[C@@H](c1ccc(F)cc1)c1cn[nH]n1
185087984	ZINC000096073364	mid	10.24	-30.6	1	291.41	3.853	1	1	3	CC(C)[C@H]1CO[C@@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1
185087986	ZINC000096073364	mid	7.94	-4.24	0	291.41	3.853	0	2	3	CC(C)[C@H]1CO[C@@]2(CCCN(Cc3ccccc3F)C2)C1
342595383	ZINC000590777518	mid	4.24	-9.01	0	266.345	1.986	2	4	6	CSCCN[C@@H](c1ccc(F)cc1)c1c[nH]nn1
290622443	ZINC000492521777	ref	8.68	-20.88	0	296.326	2.331	1	3	3	Cc1ccc(/C=C\C(=O)NN2CCc3ccccc3C2=O)o1
290622444	ZINC000492520458	ref	8.34	-14.89	0	275.258	2.431	0	3	3	CN(C(=O)/C=C\c1ccncn1)c1cc(F)ccc1F
187169463	ZINC000125097530	ref	8.26	-33.39	1	282.79	3.053	2	1	5	Fc1c(Cl)cccc1CNC[C@H]1CC[N@@H+](C2CC2)C1
187169464	ZINC000125097530	mid	8.19	-33.09	1	282.79	3.053	2	1	5	Fc1c(Cl)cccc1CNC[C@H]1CC[N@H+](C2CC2)C1
342595384	ZINC000590777518	low	5.17	-57.95	1	266.345	1.986	2	3	6	CSCC[NH2+][C@@H](c1ccc(F)cc1)c1cnn[nH]1
282122300	ZINC000533469470	high	3.67	-7.74	0	279.428	1.631	1	3	6	CC1=C(C(=O)NCCCCN2CCN(C)CC2)CCC1
342595385	ZINC000590777518	low	5.31	-46.53	1	266.345	1.986	2	3	6	CSCC[NH2+][C@@H](c1ccc(F)cc1)c1cn[nH]n1
342595386	ZINC000590777518	low	5.39	-47.39	1	266.345	1.986	2	3	6	CSCC[NH2+][C@@H](c1ccc(F)cc1)c1c[nH]nn1
342595387	ZINC000616967498	ref	4.87	-20.22	0	283.331	1.024	2	3	4	O=C(Cc1ccc(-n2cccc2)cc1)N[C@@H]1CCNC1=O
187169465	ZINC000125097530	low	9.61	-103.83	2	282.79	3.053	2	0	5	Fc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1
282122306	ZINC000533469814	ref	2.66	-15.05	0	292.383	1.589	3	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CCCc3c[nH]nc32)C1
282122309	ZINC000533469814	mid	2.64	-11.05	0	292.383	1.589	3	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1
342078617	ZINC000608853720	ref	1.7	-14.54	0	251.311	1.269	2	4	5	CCC[C@H](C#N)NC(=O)c1ccc(C(N)=O)s1
214184550	ZINC000278485127	ref	3.24	-11.33	0	314.361	3.41	0	6	4	CCc1csc([C@@H]2CCCN(c3nnc(C(F)F)o3)C2)n1
342078618	ZINC000625295999	ref	4.66	-49.81	1	269.389	1.145	1	2	1	CC(C)[C@H]1CN(C(=O)N2C[C@H](C)O[C@H](C)C2)CC[NH2+]1
214184554	ZINC000278486249	ref	7.25	-24.9	0	316.357	1.847	2	4	7	COC(=O)c1[nH]ccc1OCC(=O)NCCc1ccccc1C
214184557	ZINC000278485571	ref	4.62	-11.05	0	305.802	2.772	2	3	7	CCCSCC(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1
214184558	ZINC000278485393	ref	4.74	-12.72	0	317.32	2.847	3	5	5	O=[N+]([O-])c1ccc2c(c1NC[C@H](O)c1cccc(F)c1)CCN2
214184563	ZINC000278485508	ref	4.7	-7.1	0	300.181	3.389	0	5	3	Cc1nc([C@@H](C)Sc2ccc(Br)cn2)no1
342078619	ZINC000625295999	high	3.69	-9.21	0	269.389	1.145	1	3	1	CC(C)[C@H]1CN(C(=O)N2C[C@H](C)O[C@H](C)C2)CCN1
214184564	ZINC000278485273	ref	9.54	-16.47	0	322.376	1.57	2	8	8	N#Cc1ccc(NCCn2ccnc2)nc1NCCn1ccnc1
259308255	ZINC000089150659	ref	3.53	-110.47	2	248.37	1.307	3	1	6	[NH3+]C[C@H]1CCC[C@H]1[NH2+][C@H](CO)Cc1ccccc1
342078620	ZINC000625296339	ref	4.19	-36.81	1	259.39	1.666	2	3	10	CCCC[N@H+](CCCO)CCOC1CCOCC1
342078621	ZINC000625296339	mid	4.21	-36.82	1	259.39	1.666	2	3	10	CCCC[N@@H+](CCCO)CCOC1CCOCC1
214184567	ZINC000278485273	low	10.56	-84.91	2	322.376	1.57	2	6	8	N#Cc1ccc(NCCn2cc[nH+]c2)nc1NCCn1cc[nH+]c1
342078622	ZINC000625295612	ref	8.47	-88.73	2	290.411	1.354	2	3	3	CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1
214184572	ZINC000278485273	low	10.05	-47.25	1	322.376	1.57	2	7	8	N#Cc1ccc(NCCn2cc[nH+]c2)nc1NCCn1ccnc1
342078623	ZINC000625295612	mid	7.95	-83.12	2	290.411	1.354	2	3	3	CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1
214184574	ZINC000278485273	low	10.05	-44.5	1	322.376	1.57	2	7	8	N#Cc1ccc(NCCn2ccnc2)nc1NCCn1cc[nH+]c1
342078624	ZINC000625295612	low	5.3	-10.68	0	290.411	1.354	2	2	3	CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1
214184578	ZINC000278484848	ref	9.46	-12.39	0	316.453	3.096	1	6	7	CC(C)CC[C@H](C)Nc1cnn(Cc2nnc3n2CCCC3)c1
214184582	ZINC000278485101	ref	-0.56	-15.99	0	300.38	1.086	3	4	8	CCC(=O)Nc1ccc(S(=O)(=O)NCCCCO)cc1
342078625	ZINC000625295612	low	7.95	-83.12	2	290.411	1.354	2	2	3	CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1
398248610	ZINC000649442938	ref	4.44	-46.99	1	228.295	1.349	2	1	1	O=C1NCCc2ccc(C3=CC[NH2+]CC3)cc21
187169466	ZINC000125097530	low	9.55	-103.39	2	282.79	3.053	2	0	5	Fc1c(Cl)cccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1
398248613	ZINC000649442878	ref	6.34	-7.14	0	217.293	3.053	0	3	1	Cc1cc(-c2ccc3c(c2)CCO3)sn1
398248616	ZINC000649442922	ref	5.49	-43.76	1	233.311	2.088	1	2	5	COCCOc1cccc(C2=CC[NH2+]CC2)c1
398248618	ZINC000649442978	ref	4.45	-12.64	0	201.229	1.417	0	4	1	Cn1cc(-c2ccc3c(c2)CCO3)nn1
398248621	ZINC000649442940	ref	5.57	-45.04	1	225.238	2.665	1	1	3	FC(F)Oc1ccc(C2=CC[NH2+]CC2)cc1
398248626	ZINC000649442887	ref	6.15	-49.95	1	227.271	1.039	1	4	2	C1=C(c2cccc(-n3cnnn3)c2)CC[NH2+]C1
398248632	ZINC000649442649	ref	3.81	-11.41	0	244.294	1.691	1	4	2	Cc1nn(C)cc1-c1ccc2c(c1)C[C@@H](CO)O2
365633703	ZINC000641601248	ref	2.71	-12.4	0	277.32	1.219	1	4	3	COc1cc(C)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1OC
398248636	ZINC000649442980	ref	7.66	-83.59	2	246.354	2.004	2	1	5	C[NH+](C)CCOc1cccc(C2=CC[NH2+]CC2)c1
398248639	ZINC000649442980	high	5.2	-42.32	1	246.354	2.004	1	2	5	CN(C)CCOc1cccc(C2=CC[NH2+]CC2)c1
398248643	ZINC000649442920	ref	7.38	-52.42	1	227.307	2.753	1	1	1	C[C@H]1CC(=O)c2cccc(C3=CC[NH2+]CC3)c21
398248646	ZINC000649443005	ref	4.95	-50.77	1	230.311	1.731	2	1	2	CNC(=O)c1cc(C2=CC[NH2+]CC2)ccc1C
342595388	ZINC000590777141	ref	2.04	-16.12	0	268.313	1.055	0	4	4	N#CC1CN(CCS(=O)(=O)c2ccc(F)cc2)C1
342595389	ZINC000616965808	ref	3.48	-15.8	0	252.358	1.598	2	2	4	C[C@@H](CC(=O)N[C@H]1CCNC1=O)C1CCCCC1
306234645	ZINC000557905442	ref	7.1	-23.31	0	346.427	1.692	1	4	4	C[C@H](NC(=O)[C@@H]1CC[C@H](C(=O)N(C)C)O1)[C@@H]1Oc2ccccc2[C@H]1C
398248648	ZINC000649442974	ref	5.0	-48.78	1	215.252	1.638	1	2	1	O=C1COc2cc(C3=CC[NH2+]CC3)ccc21
398248650	ZINC000649442974	high	4.16	-83.65	0	215.252	1.638	1	2	1	[O-]c1coc2cc(C3=CC[NH2+]CC3)ccc12
398248653	ZINC000649442632	ref	5.49	-7.05	0	227.267	2.327	0	4	4	c1cnc(OCC2CC2)c(-c2cncnc2)c1
178301142	ZINC000006522188	ref	4.42	-7.17	0	207.258	3.006	1	4	2	Cc1cc2nc(NN=O)sc2cc1C
398248656	ZINC000649443029	ref	5.39	-41.83	1	231.339	2.377	2	1	3	CC(C)(O)Cc1ccc(C2=CC[NH2+]CC2)cc1
398248660	ZINC000649443011	ref	5.14	-43.22	1	229.323	1.913	2	1	1	O[C@@H]1CCc2cc(C3=CC[NH2+]CC3)ccc2C1
398248662	ZINC000649442637	ref	5.89	-9.69	0	246.31	2.421	0	4	5	COCCOc1ccc(-c2cn(C)nc2C)cc1
398248667	ZINC000649442949	ref	7.32	-47.5	1	213.284	1.95	1	2	1	Cn1cnc2cc(C3=CC[NH2+]CC3)ccc21
398248623	ZINC000076875870	ref	5.75	-16.22	0	230.267	1.535	0	3	2	CN(CC#N)C(=O)[C@H]1CCOc2ccccc21
178301143	ZINC000006522188	high	4.25	-43.5	-1	207.258	3.006	0	4	2	Cc1cc2nc([N-]N=O)sc2cc1C
398249520	ZINC000370236414	high	5.81	-10.13	0	220.32	1.81	1	4	3	Cc1nnc2n1CCC[C@@H]2N[C@H](C)C1CC1
136229170	ZINC000292818367	high	-1.73	-42.02	-1	206.192	0.188	1	2	5	C=CCC(F)(F)C(=O)[N-][C@@H](C)C(N)=O
349534636	ZINC000621234399	ref	3.85	-20.4	0	285.347	2.416	2	2	5	CC(C)CN(C(=O)c1c[nH]c(C(N)=O)c1)c1ccccc1
349534639	ZINC000621230741	ref	4.14	-8.77	0	296.333	2.244	2	2	5	CC(C)(CNC(=O)CNC(=O)C(C)(C)C)CC(F)(F)F
349534641	ZINC000621229725	ref	5.52	-19.41	0	290.285	2.094	1	3	4	Cn1ccc(C(=O)NCC(C)(C)CC(F)(F)F)cc1=O
361823429	ZINC000614363786	ref	7.74	-14.77	0	318.421	1.968	0	4	4	CCn1ccnc1[C@@H]1CCCCN1C(=O)C[C@@H]1CCC(=O)N1C
178301146	ZINC000015731932	ref	9.01	-44.41	1	247.298	1.582	1	4	2	Cc1cc2nc(C[NH+]3CCCCC3)cc(=O)n2o1
349534644	ZINC000621234696	ref	4.54	-9.1	0	271.401	2.201	1	3	7	CC(C)CCO[C@@H]1CCN(C(=O)CCC(C)(C)O)C1
361823436	ZINC000614363786	low	8.18	-32.49	1	318.421	1.968	0	3	4	CCn1cc[nH+]c1[C@@H]1CCCCN1C(=O)C[C@@H]1CCC(=O)N1C
361823441	ZINC000614362631	ref	7.95	-12.49	0	300.366	1.223	1	6	3	CC1=C[C@@H](C)CN(C(=O)CCn2cnc3c(N)ncnc32)C1
361823446	ZINC000614363120	ref	6.36	-10.62	0	311.422	1.986	0	4	3	CO[C@H](C(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1)C1CCC1
361823452	ZINC000614362011	ref	3.82	-19.98	0	305.285	1.643	2	5	5	O=C(NCCCc1nnc[nH]1)c1scnc1C(F)(F)F
361823459	ZINC000614362011	mid	3.43	-17.71	0	305.285	1.643	2	5	5	O=C(NCCCc1nc[nH]n1)c1scnc1C(F)(F)F
361823463	ZINC000614361354	ref	6.86	-18.01	0	322.438	1.597	2	6	7	CC(C)(C)n1ccnc1SCC(=O)NCCCc1nnc[nH]1
361823468	ZINC000614361354	mid	6.47	-15.24	0	322.438	1.597	2	6	7	CC(C)(C)n1ccnc1SCC(=O)NCCCc1nc[nH]n1
361823474	ZINC000614362263	ref	5.41	-9.62	0	308.378	1.792	0	5	3	C[C@H]1CN(C(=O)CCc2ccon2)C[C@]2(CCO[C@H](C)C2)O1
361823478	ZINC000614363384	ref	8.37	-47.64	1	313.405	1.376	3	3	7	O=C(NCCCc1nnc[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1
361823484	ZINC000614363384	mid	8.47	-47.68	1	313.405	1.376	3	3	7	O=C(NCCCc1nnc[nH]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1
361823490	ZINC000614363384	mid	7.99	-44.75	1	313.405	1.376	3	3	7	O=C(NCCCc1nc[nH]n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1
361823494	ZINC000614363384	mid	8.08	-44.83	1	313.405	1.376	3	3	7	O=C(NCCCc1nc[nH]n1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1
214184561	ZINC000293575093	ref	2.0	-15.11	0	370.475	0.721	2	5	4	Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCO[C@@H]2C)C1
299072522	ZINC000567666960	ref	6.54	-44.73	1	258.365	2.02	1	1	3	Cc1ccc(C[C@@H]2CCCN2C(=O)C2([NH3+])CC2)cc1
214184569	ZINC000293576900	ref	2.27	-15.6	0	373.45	0.477	2	5	9	CCOCCS(=O)(=O)NCC(=O)N[C@@H]1CCN(c2ccccc2F)C1
214184577	ZINC000293576906	ref	2.26	-18.76	0	373.45	0.477	2	5	9	CCOCCS(=O)(=O)NCC(=O)N[C@H]1CCN(c2ccccc2F)C1
349534637	ZINC000621494174	ref	8.2	-9.88	0	286.366	3.253	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CC[C@@H](C2CCCC2)C1
187169469	ZINC000125097780	ref	5.05	-12.61	0	294.424	2.247	1	3	3	CN1C(=S)N=NC1CNC(=O)C=C1CCC(C)(C)CC1
214184581	ZINC000293578622	ref	3.69	-22.08	0	355.398	0.45	1	5	1	Cn1[nH]cc2/c(=N\C(=O)C(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)ccnc1-2
214184586	ZINC000293578622	mid	3.54	-42.41	-1	355.398	0.45	0	5	1	Cn1[n-]cc2/c(=N\C(=O)C(=O)N3C[C@@]4(CCCO4)[C@@H]3C3CC3)ccnc1-2
214184590	ZINC000293582983	ref	3.76	-27.08	0	370.475	0.57	1	6	6	Cc1cc(N2CCC[C@@H](NS(=O)(=O)CC[C@H]3CCOC3)C2=O)n(C)n1
187169470	ZINC000125097967	ref	1.77	-14.17	0	287.429	0.455	2	4	6	CC[C@H](SC)C(=O)NC1CCN(CC(=O)NC)CC1
214184597	ZINC000293582983	high	3.87	-54.18	-1	370.475	0.57	0	6	6	Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)CC[C@H]3CCOC3)C2=O)n(C)n1
214184600	ZINC000293581762	ref	5.3	-25.88	0	363.439	0.868	1	6	4	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2ccccc2c1=O
214184608	ZINC000293572537	ref	0.85	-13.48	0	354.388	0.643	1	8	7	CCc1nc(CCNS(=O)(=O)c2cnc(C)c(C(=O)OC)c2)no1
214184615	ZINC000293579010	ref	3.29	-15.12	0	374.441	0.574	2	5	5	COC[C@H]1CCN1C(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1
187169471	ZINC000125097967	mid	3.93	-47.35	1	287.429	0.455	3	3	6	CC[C@H](SC)C(=O)NC1CC[NH+](CC(=O)NC)CC1
214184622	ZINC000293582626	ref	4.36	-12.53	0	352.318	0.713	1	6	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)C1
187169472	ZINC000125093093	ref	6.92	-11.39	0	288.395	2.91	1	4	4	Cc1cc(C(=O)N[C@@H](C)c2cnn(C)c2)c(C)n1C(C)C
214184628	ZINC000293575137	ref	2.5	-14.17	0	358.402	0.483	3	6	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(-n2nccn2)cc1)C(C)C
214184634	ZINC000293576555	ref	4.29	-22.99	0	361.354	0.378	2	8	7	COC(=O)[C@H](NC(=O)CCn1cnccc1=O)c1ccc(OC)c(O)c1
187169473	ZINC000125100805	ref	9.15	-11.19	0	280.412	3.365	0	3	5	Cc1noc(C)c1CC(=O)N(CC(C)C)CC(C)(C)C
282122305	ZINC000151662875	mid	8.09	-37.7	1	322.474	2.316	2	3	6	Cc1cccc(OC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCSCC2)c1
306234646	ZINC000557899667	ref	4.86	-16.09	0	327.406	1.208	2	5	5	C[C@H](C(=O)Nc1nc(C2CC2)c[nH]1)S(=O)(=O)C1CCOCC1
343993833	ZINC000625560847	ref	3.7	-7.51	0	243.303	1.989	1	2	4	C/C=C\CNS(=O)(=O)c1ccc(F)cc1C
295666262	ZINC000412985867	ref	7.58	-10.8	0	311.403	2.894	0	6	7	COC(=O)c1cccnc1SCCCO[C@@H]1CCCCO1
306234647	ZINC000557902602	ref	3.49	-13.4	0	327.45	1.351	2	3	4	O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1
185088009	ZINC000096072963	ref	5.22	-8.95	0	275.352	1.898	0	4	2	CC[C@@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1
282122311	ZINC000151638414	ref	7.6	-6.1	0	306.41	2.269	1	4	5	CCN(C(=O)C(=O)Nc1ccnn1CC(C)C)C1CCCC1
185088013	ZINC000096074254	ref	7.98	-38.25	1	287.407	2.527	2	3	4	c1ccc(N[C@H]2COC3(CC[NH+](CC4CC4)CC3)C2)nc1
185088015	ZINC000096074254	low	8.46	-76.39	2	287.407	2.527	2	2	4	c1ccc(N[C@H]2COC3(CC[NH+](CC4CC4)CC3)C2)[nH+]c1
398248624	ZINC000380257067	ref	0.91	-92.88	2	201.314	0.086	3	1	7	CC[NH2+]CCNC(=O)C[C@@H]([NH3+])C(C)C
185088020	ZINC000096072380	ref	9.17	-35.32	1	287.403	2.847	1	2	5	c1ccc(CO[C@H]2CO[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1
185088023	ZINC000096072380	mid	9.26	-35.63	1	287.403	2.847	1	2	5	c1ccc(CO[C@H]2CO[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cc1
343993837	ZINC000073742251	ref	4.45	-17.65	0	242.296	2.008	0	4	6	CCCCS(=O)(=O)Oc1ccc(C=O)cc1
178301151	ZINC000082797953	ref	4.08	-39.42	0	261.372	1.471	1	6	6	C[NH2+][C@@](C)(C[C@@H](C)Sc1nncs1)C(=O)[O-]
185088026	ZINC000096072423	ref	2.58	-39.97	1	254.355	1.489	1	4	3	Cc1nc(CO[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)cs1
185088028	ZINC000096074226	ref	10.35	-76.38	2	290.411	1.865	2	3	4	Cn1cc[nH+]c1N[C@H]1COC2(CC[NH+](CC3CC3)CC2)C1
342078626	ZINC000625295612	high	5.3	-10.68	0	290.411	1.354	1	4	3	CCN1CCC[C@@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1
178301154	ZINC000082797654	ref	2.85	-38.78	1	258.412	2.082	2	3	6	C[NH2+][C@@](C)(C[C@H](C)Sc1cccs1)C(N)=O
178301155	ZINC000082797654	high	2.45	-7.26	0	258.412	2.082	2	4	6	CN[C@@](C)(C[C@H](C)Sc1cccs1)C(N)=O
185088030	ZINC000096074226	high	9.89	-39.56	1	290.411	1.865	2	4	4	Cn1ccnc1N[C@H]1COC2(CC[NH+](CC3CC3)CC2)C1
168366018	ZINC000043379331	ref	3.53	-48.18	1	194.16	0.729	1	3	2	C[C@@H]([NH3+])[C@@H](n1cncn1)C(F)(F)F
168366022	ZINC000020216742	ref	-0.21	-41.27	1	157.238	1.129	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1ccsc1
343993841	ZINC000625560817	ref	3.56	-10.92	0	225.313	1.682	1	2	5	C/C=C\CNS(=O)(=O)Cc1ccccc1
398248625	ZINC000457192830	ref	6.2	-7.92	0	241.375	2.744	1	2	3	C[C@@H](CC(C)(C)C)NC(=O)[C@H]1CCCOCC1
187169474	ZINC000125099328	ref	2.76	-12.43	0	250.323	1.147	2	4	5	C[C@@H](CO)NC(=O)CSc1ccc(C#N)cc1
365633713	ZINC000336550711	ref	5.72	-9.27	0	260.337	2.21	0	3	3	CO[C@H]1CCCN(C(=O)c2ccnc(C3CC3)c2)C1
398248631	ZINC000286168222	ref	7.25	-44.47	1	247.338	2.686	1	2	5	CC#CC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C
398248638	ZINC000286168222	high	6.14	-6.68	0	247.338	2.686	1	3	5	CC#CCN[C@H](C)c1ccc(OC)c(OC)c1C
187169475	ZINC000125096183	ref	3.44	-10.47	0	269.366	2.159	2	4	6	CC[C@@H](SC)C(=O)NCc1ccc(OC)c(O)c1
214184576	ZINC000337621943	ref	0.63	-17.08	0	271.361	0.614	3	3	9	CC(C)(CNC(=O)NCCCOCC1CC1)C(N)=O
342595390	ZINC000616966021	ref	5.16	-17.66	0	282.343	1.777	2	2	4	O=C(CCc1ccc2ccccc2c1)N[C@H]1CCNC1=O
342595391	ZINC000590777187	ref	2.73	-14.36	0	260.337	1.499	1	4	5	Cc1cc(C)cc(OC[C@@H](O)CN2CC(C#N)C2)c1
214184579	ZINC000337620534	ref	7.04	-9.37	0	298.321	2.465	1	5	5	C[C@H](CNc1ncnc2ccncc12)Oc1ccc(F)cc1
398248642	ZINC000399007946	ref	9.31	-43.4	1	242.366	3.277	1	1	5	C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC1(C)C
214184583	ZINC000337622675	ref	4.7	-12.1	0	271.401	2.06	1	3	8	CCN(CCOCCO)C(=O)C(C)(C)C1CCCC1
365633723	ZINC000336550313	ref	6.03	-10.75	0	291.322	2.036	0	3	2	O=C1CCC[C@@H]1[C@H]1COCCN1C(=O)c1cccc(F)c1
398248647	ZINC000062283332	ref	3.3	-48.71	1	202.261	1.094	1	3	3	Cc1c(C[NH3+])nnn1Cc1ccccc1
342595392	ZINC000590777509	ref	4.08	-6.62	0	266.345	1.986	2	4	6	CSCCN[C@H](c1ccc(F)cc1)c1cn[nH]n1
342595393	ZINC000590777509	mid	4.16	-9.96	0	266.345	1.986	2	4	6	CSCCN[C@H](c1ccc(F)cc1)c1c[nH]nn1
342595394	ZINC000590777509	low	5.16	-57.95	1	266.345	1.986	2	3	6	CSCC[NH2+][C@H](c1ccc(F)cc1)c1cnn[nH]1
187169476	ZINC000125095372	ref	5.47	-7.89	0	285.347	3.104	1	4	4	C[C@H](NC(=O)C1CCCC1)c1noc(-c2ccccc2)n1
342595395	ZINC000590777509	low	5.31	-46.59	1	266.345	1.986	2	3	6	CSCC[NH2+][C@H](c1ccc(F)cc1)c1cn[nH]n1
365633732	ZINC000336550230	ref	5.26	-12.92	0	279.405	2.393	1	3	3	CSCc1ccc(C(=O)N2C[C@@H](O)C(C)(C)C2)cc1
187169477	ZINC000125095649	ref	7.14	-11.72	0	252.317	3.06	1	2	3	Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cn1
214184585	ZINC000337620380	ref	3.27	-40.75	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
398248651	ZINC000062283332	high	2.9	-9.57	0	202.261	1.094	1	4	3	Cc1c(CN)nnn1Cc1ccccc1
214184587	ZINC000278486245	ref	7.17	-18.65	0	318.392	3.446	2	2	8	CCCCCN(CCO)C(=O)c1c[nH]cc1-c1ccccc1F
178301148	ZINC000015731932	mid	5.96	-13.29	0	247.298	1.582	0	5	2	Cc1cc2nc(CN3CCCCC3)cc(=O)n2o1
365633714	ZINC000641600708	ref	7.37	-12.45	0	274.368	1.844	1	4	2	CC(=O)N1C[C@@H]2CCC[C@@H](Nc3ncncc3C)[C@H]2C1
365633725	ZINC000641599291	ref	-1.16	-14.76	0	288.369	1.315	1	5	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)[C@H]1CCOC1
343993835	ZINC000139286069	ref	2.35	-6.13	0	195.218	2.655	1	3	1	Oc1ccc(-c2cscn2)c(F)c1
398248629	ZINC000076870258	ref	2.55	-42.0	1	246.31	1.389	3	2	5	C[C@H](O)CC[NH2+]Cc1cc2ccccc2[nH]c1=O
343993839	ZINC000139286069	high	3.11	-41.54	-1	195.218	2.655	0	3	1	[O-]c1ccc(-c2cscn2)c(F)c1
343993842	ZINC000139208613	ref	4.5	-10.86	0	185.223	0.416	0	3	2	CC(C)OC(=O)[C@H]1CCN(C)C1=O
299072173	ZINC000354602574	low	3.41	-55.97	1	348.313	0.943	2	5	5	Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1cnn(CC(N)=O)c1
299072175	ZINC000354602326	ref	0.16	-15.29	0	346.387	0.115	2	6	8	COC[C@H](C(N)=O)N(C)C(=O)c1cnn(CCO)c1-c1ccccc1
214184592	ZINC000278485760	ref	7.94	-13.82	0	320.408	2.726	1	3	4	CC1(C)CC[C@H](C(=O)NC[C@@H]2CCN(c3ccc(F)cc3)C2)O1
398248635	ZINC000076870258	high	1.19	-9.53	0	246.31	1.389	3	3	5	C[C@H](O)CCNCc1cc2ccccc2[nH]c1=O
300267331	ZINC000377408346	ref	1.88	-4.86	0	305.369	0.505	0	4	3	C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1C(=O)C(C)(F)F
398248640	ZINC000076853259	ref	6.43	-15.42	0	244.294	1.925	0	3	3	CN(CCC#N)C(=O)[C@@H]1CCOc2ccccc21
398248644	ZINC000069838876	ref	4.03	-55.26	1	224.279	2.2	2	1	4	Cc1ccc(F)cc1NC(=O)CC[C@H](C)[NH3+]
178301167	ZINC000001565103	ref	4.55	-18.26	0	243.222	1.783	0	6	2	Cc1cc2nc(Oc3ccccc3)nc(=O)n2o1
178301171	ZINC000004384282	ref	7.33	-53.46	-1	232.283	2.587	1	3	4	Cc1cc2nc(CCCC(=O)[O-])[nH]c2cc1C
178301175	ZINC000004384282	low	7.77	-49.03	0	232.283	2.587	1	2	4	Cc1cc2[nH]c(CCCC(=O)[O-])[nH+]c2cc1C
365633735	ZINC000641601343	ref	5.68	-13.94	0	264.325	1.31	0	5	7	COCCOCCN(C)c1ccc2c(n1)C(=O)CC2
178301178	ZINC000000337454	ref	8.61	-35.1	1	238.314	2.516	1	1	2	Cc1cc2nc(C[n+]3ccccc3)[nH]c2cc1C
178301183	ZINC000000535211	ref	10.4	-18.43	0	237.266	2.147	0	5	0	Cc1cc2nc(C)n3c4ccccc4nc3n2n1
178301187	ZINC000000535211	low	10.87	-26.19	1	237.266	2.147	0	4	0	Cc1cc2nc(C)n3c4ccccc4[nH+]c3n2n1
343993848	ZINC000139208613	high	4.58	-10.83	0	185.223	0.416	0	3	2	CC(C)OC(=O)C1CCN(C)C1=O
398248630	ZINC000380246690	ref	5.59	-52.38	1	216.235	1.092	1	3	3	Cn1ncnc1C[NH2+][C@@H]1CCC(F)(F)C1
342595396	ZINC000590777509	low	5.39	-47.42	1	266.345	1.986	2	3	6	CSCC[NH2+][C@H](c1ccc(F)cc1)c1c[nH]nn1
342595397	ZINC000616967600	ref	3.02	-17.84	0	276.336	1.077	2	3	5	Cc1cccc(OCCC(=O)N[C@H]2CCNC2=O)c1C
398248634	ZINC000380246690	mid	4.38	-9.46	0	216.235	1.092	1	4	3	Cn1ncnc1CN[C@@H]1CCC(F)(F)C1
398249436	ZINC000100407079	ref	5.26	-33.54	-1	246.163	2.481	0	2	1	O=c1cc(C(F)(F)F)[n-]n1-c1cccc(F)c1
398249441	ZINC000135409818	ref	3.61	-9.79	0	247.294	2.533	2	3	6	C#CCCCCC(=O)Nc1ccc(OC)cc1O
282122307	ZINC000246179758	high	4.01	-15.8	0	318.425	0.826	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@@H](C)N(C3CC3)C1)CC2
282122315	ZINC000344235267	ref	6.14	-52.08	1	306.414	0.683	3	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)CC2
214184589	ZINC000337620380	mid	2.93	-42.37	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214184591	ZINC000337622741	ref	4.15	-14.07	0	271.357	0.993	1	4	8	CCN(CCOCCO)C(=O)CC1CCC(=O)CC1
398249461	ZINC000135409818	high	4.37	-43.41	-1	247.294	2.533	1	3	6	C#CCCCCC(=O)Nc1ccc(OC)cc1[O-]
342595398	ZINC000616967492	ref	4.63	-14.54	0	290.338	1.642	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccccc2F)CCCC1
342595399	ZINC000616959944	ref	3.52	-18.07	0	298.745	1.761	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1ccc(Cl)cc1F
187169478	ZINC000125100378	ref	0.56	-6.5	0	274.752	0.599	3	6	6	CNc1c(Cl)ncnc1N(C)CC(C)(CO)CO
282122331	ZINC000344235267	mid	5.13	-48.85	1	306.414	0.683	3	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)CC2
342595400	ZINC000590777263	ref	2.39	-51.47	-1	291.267	1.262	1	6	4	CCc1nn(C)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]
342595401	ZINC000590777263	low	4.23	-20.14	0	291.267	1.262	2	6	4	CCc1nn(C)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]
187169479	ZINC000125092688	ref	6.35	-16.88	0	274.364	1.87	1	2	4	CCC(=O)N1CC[C@@H](C(=O)NCc2cccc(C)c2)C1
365633731	ZINC000617422116	ref	3.74	-11.33	0	296.367	0.88	2	4	6	COC(=O)[C@@H](CC1CCCCC1)NC(=O)C1(C(N)=O)CC1
342595402	ZINC000590777129	ref	3.23	-11.96	0	250.729	1.699	1	3	4	N#CC1CN(C[C@@H](O)Cc2cccc(Cl)c2)C1
398249467	ZINC000190671339	ref	2.15	-8.21	0	243.303	0.461	2	4	4	COC(=O)C[C@H](C)C(=O)N[C@H]1C[C@H](O)C1(C)C
303959978	ZINC000563541925	ref	5.96	-17.44	0	315.402	1.589	1	6	2	O=C(N[C@@H]1CSc2ccccc21)[C@H]1CCc2nnnn2CC1
398249474	ZINC000062361323	ref	1.6	-50.46	1	229.28	-0.318	3	3	5	C[N@H+](CCC(=O)NC(N)=O)C[C@@H]1CCCO1
185088032	ZINC000096073387	ref	5.45	-10.8	0	289.379	2.144	0	4	2	CC(C)[C@@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1
178301156	ZINC000082798375	ref	2.99	-51.94	1	261.774	2.24	1	2	4	C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccc(Cl)cc1
185088034	ZINC000096072178	ref	6.61	-32.55	1	265.328	2.205	1	2	3	CO[C@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1
342078627	ZINC000608853671	ref	5.86	-11.22	0	271.357	1.603	0	4	3	CN(CC(=O)OC(C)(C)C)C(=O)C1(C)CCOCC1
342078628	ZINC000625295916	ref	3.79	-13.83	0	269.345	1.352	1	5	8	CCO[C@H](C(=O)NCCc1noc(CC)n1)C(C)C
282122310	ZINC000449153293	ref	5.92	-44.02	1	298.408	2.228	2	4	8	CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-]
282122316	ZINC000449153038	ref	4.39	-44.47	1	265.353	2.099	2	3	5	C[C@@H](O)CC[NH2+]Cc1ccc2c(c1)OCCCCO2
185088036	ZINC000096072178	mid	6.44	-34.43	1	265.328	2.205	1	2	3	CO[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)C1
185088038	ZINC000096072178	mid	3.95	-5.1	0	265.328	2.205	0	3	3	CO[C@H]1CO[C@@]2(CCN(Cc3ccccc3F)C2)C1
282122319	ZINC000449153038	high	3.03	-6.49	0	265.353	2.099	2	4	5	C[C@@H](O)CCNCc1ccc2c(c1)OCCCCO2
185088041	ZINC000096073391	ref	6.52	-10.56	0	288.391	2.749	0	3	2	CC(C)[C@@H]1CO[C@]2(CCCN(C(=O)c3ccncc3)C2)C1
342078629	ZINC000608853971	ref	7.01	-23.74	0	289.335	1.111	1	5	5	COC(=O)[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2n1
342078630	ZINC000608853971	low	7.29	-37.19	1	289.335	1.111	1	4	5	COC(=O)[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1
185088044	ZINC000096073044	ref	4.28	-38.42	1	279.384	1.139	2	4	3	C[C@H](O)C[NH+]1CCC2(CC1)C[C@@H](c1cnn(C)c1)CO2
185088046	ZINC000096073484	ref	5.61	-37.68	1	291.395	1.586	2	4	3	CC(C)(O)C[N@@H+]1CCC[C@]2(C[C@H](c3cncnc3)CO2)C1
178301170	ZINC000082797655	ref	2.99	-44.14	1	258.412	2.082	2	3	6	C[NH2+][C@@](C)(C[C@@H](C)Sc1cccs1)C(N)=O
178301172	ZINC000082797655	high	1.99	-7.32	0	258.412	2.082	2	4	6	CN[C@@](C)(C[C@@H](C)Sc1cccs1)C(N)=O
178301174	ZINC000082798380	ref	2.87	-49.37	1	261.774	2.24	1	2	4	C[C@@H](C[C@@H](C)[NH3+])S(=O)(=O)c1ccccc1Cl
342078631	ZINC000625296006	ref	3.33	-12.06	0	273.402	1.759	1	4	7	CCn1nccc1CNS(=O)(=O)CC(C)(C)CC
178301179	ZINC000082797966	ref	2.77	-48.0	1	261.372	1.299	1	6	5	COC(=O)[C@](C)([NH3+])C[C@@H](C)Sc1nncs1
342078632	ZINC000046492928	ref	6.27	-18.43	0	276.336	1.018	0	4	2	O=C(Cn1ccccc1=O)N1CCO[C@@H]2CCCC[C@@H]21
342078633	ZINC000625295960	ref	2.81	-17.34	0	277.328	1.129	1	6	6	CCc1nc(CCNC(=O)c2cn(CC)nc2C)no1
342078634	ZINC000625296130	ref	6.15	-11.47	0	297.358	1.877	1	4	5	CCc1nc(CCNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)no1
178301159	ZINC000237184158	ref	4.33	-48.58	1	359.474	1.866	1	5	5	COc1nn(C)c2nc(C)c(CCC(=O)N3CCCC[C@@H]3C[NH3+])c(C)c12
398248652	ZINC000076865340	ref	5.51	-45.07	1	247.367	3.006	1	3	4	Cc1nc(C)c(C[NH2+][C@H](C)c2cccnc2)s1
187169480	ZINC000125097822	ref	6.86	-39.75	1	257.736	3.136	1	1	4	C[C@H]([NH2+]Cc1cccc(Cl)c1F)[C@@H]1CCCO1
214184595	ZINC000278486702	ref	1.57	-17.85	0	317.769	1.23	2	5	9	COC[C@H](C)OC[C@@H](O)COc1ccc(Cl)cc1C(N)=O
214184601	ZINC000278485842	ref	6.44	-9.71	0	318.417	2.983	1	3	4	Cc1ccc(NC(=O)[C@]2(C)CCCO2)cc1C(=O)N(C)C(C)C
214184605	ZINC000278486224	ref	3.34	-8.56	0	302.172	1.337	1	4	2	C[C@@H]1COCC[C@@H]1NC(=O)c1cnn(C)c1Br
214184607	ZINC000278486507	ref	8.51	-9.32	0	321.373	3.317	0	5	6	COC[C@H](OC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)c1nccs1
178301164	ZINC000237198809	ref	6.63	-53.92	1	361.421	1.801	1	5	6	Cc1c(C(=O)N(C)CCOc2ccccc2F)nnn1C1CC[NH2+]CC1
342595403	ZINC000616967476	ref	4.66	-18.26	0	296.411	1.468	2	3	5	CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@H]1CCNC1=O
342595404	ZINC000616965807	ref	3.48	-15.55	0	252.358	1.598	2	2	4	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)C1CCCCC1
349534640	ZINC000618812838	ref	5.25	-18.0	0	285.307	1.157	0	6	4	CN(Cc1cn(C)nn1)C(=O)Cc1noc2ccccc12
214184612	ZINC000278485179	ref	5.95	-11.16	0	312.377	2.119	0	7	3	Cc1nc(C[C@H]2CCCN(c3ccnc4c3cnn4C)C2)no1
349534643	ZINC000618813711	ref	6.44	-23.89	0	297.362	1.806	1	4	4	Cc1cccc2[nH]cc(CC(=O)N(C)Cc3cn(C)nn3)c12
214184616	ZINC000278486601	ref	6.3	-12.59	0	315.348	2.608	0	4	3	Cc1cccc(C(=O)N2CCC(Oc3ncccc3F)CC2)n1
398248657	ZINC000076865340	mid	4.4	-6.82	0	247.367	3.006	1	4	4	Cc1nc(C)c(CN[C@H](C)c2cccnc2)s1
178301169	ZINC000237194807	ref	5.89	-53.21	1	358.486	1.474	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1
214184620	ZINC000278486705	ref	1.57	-17.84	0	317.769	1.23	2	5	9	COC[C@@H](C)OC[C@@H](O)COc1ccc(Cl)cc1C(N)=O
178301173	ZINC000237194807	mid	8.24	-97.71	2	358.486	1.474	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1
168366026	ZINC000002034463	ref	-3.91	-47.26	1	183.207	0.478	4	3	2	C[C@@H]([NH3+])[C@@H](O)c1ccc(O)cc1O
178301177	ZINC000237194807	high	4.55	-13.34	0	358.486	1.474	2	4	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)CC1
398248661	ZINC000390783300	ref	4.57	-35.37	1	210.321	1.241	1	1	1	C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2[NH2+]CC2(C)C)C1
398248655	ZINC000336779772	ref	-0.78	-53.73	1	230.308	-0.359	3	3	6	CCOC[C@H](O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C
187169481	ZINC000125097822	high	5.61	-7.1	0	257.736	3.136	1	2	4	C[C@H](NCc1cccc(Cl)c1F)[C@@H]1CCCO1
136229171	ZINC000292806339	ref	4.81	-13.18	0	238.331	1.326	1	2	6	C=CCC(C)(C)C(=O)N(C)CC(=O)NC1CC1
343993836	ZINC000599270303	high	3.25	-12.17	0	252.358	1.542	1	4	6	CN(C[C@@H](O)CC1(C#N)CC1)C[C@H]1CCCCO1
136229172	ZINC000292803232	ref	6.34	-37.14	1	237.343	2.327	2	2	8	C=CC[N@@H+](CCc1ccco1)C[C@H](O)C(C)C
187169482	ZINC000125100064	ref	6.79	-8.97	0	285.434	2.58	0	3	6	CN(C)S(=O)(=O)c1cccc(CSCC2CC2)c1
398248659	ZINC000336779760	ref	8.4	-96.23	2	230.371	2.446	2	0	8	C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]1CCF
398248665	ZINC000286174093	ref	5.72	-11.95	0	234.299	2.175	1	3	7	C=CCCC(=O)Nc1cc(CCOC)ccn1
398248671	ZINC000286151684	ref	4.41	-10.52	0	209.245	0.323	1	3	3	C#C[C@H](C)NC(=O)[C@@H]1CC[C@@H]1C(=O)OC
398248677	ZINC000286147085	ref	3.46	-6.89	0	235.331	2.063	2	4	3	CCc1nc(C)cc(N[C@@H]2CC[C@@H](O)CC2)n1
398248683	ZINC000286147085	mid	3.97	-28.15	1	235.331	2.063	2	3	3	CCc1nc(N[C@@H]2CC[C@@H](O)CC2)cc(C)[nH+]1
199273007	ZINC000294964762	low	5.07	-50.11	1	292.379	1.17	2	3	7	COCCOCc1ccc(C[N@@H+]2CC(=O)N[C@@H](C)C2)cc1
199273010	ZINC000294964750	ref	6.31	-8.48	0	288.391	3.197	2	3	6	CCCC[C@H](C)Nc1cccc(C2CC(=O)NC(=O)C2)c1
398248686	ZINC000336779771	ref	-0.78	-53.86	1	230.308	-0.359	3	3	6	CCOC[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@@H]1C
187169483	ZINC000125098396	ref	6.84	-36.41	1	257.736	3.136	1	1	4	C[C@@H]([NH2+]Cc1cccc(Cl)c1F)[C@H]1CCCO1
342078635	ZINC000625295430	ref	8.04	-10.69	0	294.399	1.492	0	6	7	CCOC[C@@H]1CN(c2nnc(CC)n2CC2CC2)CCO1
342078636	ZINC000625295374	ref	4.56	-9.85	0	256.39	1.648	2	2	6	CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)C(C)C
398248691	ZINC000286151679	ref	4.5	-9.79	0	209.245	0.323	1	3	3	C#C[C@H](C)NC(=O)[C@@H]1CC[C@H]1C(=O)OC
398248694	ZINC000336779762	ref	5.25	-41.42	1	220.316	1.913	1	2	5	CCc1ccc(C[NH2+]C[C@H]2CCCO2)cn1
398248697	ZINC000336779762	high	3.9	-4.98	0	220.316	1.913	1	3	5	CCc1ccc(CNC[C@H]2CCCO2)cn1
398248699	ZINC000286151513	ref	5.94	-7.4	0	243.306	1.792	1	2	3	C#Cc1cccc(N(C)C(=O)[C@](C)(O)C2CC2)c1
187169484	ZINC000125098396	high	5.94	-4.41	0	257.736	3.136	1	2	4	C[C@@H](NCc1cccc(Cl)c1F)[C@H]1CCCO1
342078637	ZINC000625295374	mid	6.79	-43.14	1	256.39	1.648	2	2	6	CCO[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)C(C)C
342078638	ZINC000625295374	high	4.56	-9.85	0	256.39	1.648	1	3	6	CCO[C@@H](C(=O)N[C@H]1CCCN(CC)C1)C(C)C
398248704	ZINC000399006459	ref	3.6	-8.2	0	245.326	1.859	1	4	1	Cc1cc(N2CC[C@H](O)C(C)(C)C2)c(C#N)cn1
282122312	ZINC000533467957	ref	9.28	-11.98	0	289.383	1.845	1	6	3	CC(C)c1cc(N2CCC[C@@H]([C@H](C)O)C2)n2ncnc2n1
282122317	ZINC000533469643	ref	8.17	-21.68	0	260.341	1.683	0	4	3	CC1=C(C(=O)N(C)Cc2nnc3n2CCC3)CCC1
282123633	ZINC000368301884	ref	3.96	-14.95	0	317.309	0.217	2	8	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])cnc1N)CC2
299072174	ZINC000358087172	mid	7.89	-14.08	0	319.796	1.802	1	5	4	C[C@@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
349534642	ZINC000621492267	ref	8.51	-9.55	0	286.366	3.253	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC(C2CCC2)CC1
187169486	ZINC000125092701	ref	2.86	-15.55	0	258.347	0.535	1	4	6	CC[C@H](C)OCC(=O)NCC1N=NC(=S)N1C
342595405	ZINC000616965315	ref	2.06	-17.2	0	275.283	1.234	3	2	2	Cc1cc(F)cc2[nH]c(C(=O)N[C@@H]3CCNC3=O)cc12
342595406	ZINC000616965319	ref	4.34	-18.18	0	280.393	1.856	2	3	7	O=C(CCCCCc1cccs1)N[C@H]1CCNC1=O
342595407	ZINC000616965967	ref	5.14	-17.4	0	274.364	1.713	2	2	6	Cc1ccc(CCCCC(=O)N[C@H]2CCNC2=O)cc1
398248664	ZINC000390783300	high	3.0	-9.18	0	210.321	1.241	1	2	1	C[C@@H]1C[C@@H](C)N(C(=O)[C@H]2NCC2(C)C)C1
187169487	ZINC000125092737	ref	-1.67	-51.36	1	294.336	0.094	3	5	6	[NH3+]CC(=O)NCC(=O)NCc1csc(-c2ccco2)n1
187169488	ZINC000125092737	mid	-2.07	-14.13	0	294.336	0.094	3	6	6	NCC(=O)NCC(=O)NCc1csc(-c2ccco2)n1
187169489	ZINC000125098603	ref	5.53	-7.85	0	296.436	2.727	2	3	4	Cc1ccsc1C(=O)NC(C)(C)C(=O)NCC(C)(C)C
187169490	ZINC000125100216	ref	6.13	-10.44	0	250.346	2.366	2	3	2	C[C@@H]1CC[C@H](NC(=O)Nc2ccnn2C)[C@H](C)C1
187169491	ZINC000125094961	ref	2.91	-50.9	1	263.407	0.647	1	2	6	CCCN(C1CC[NH2+]CC1)S(=O)(=O)N(C)CC
230236263	ZINC000354976942	ref	1.06	-17.88	0	268.235	-0.011	1	3	2	CC(=O)N1C[C@H](O)C[C@H]1C(=O)N(C)CC(F)(F)F
230236281	ZINC000354883959	ref	2.02	-22.12	0	291.369	-0.172	0	5	5	COCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1
230236312	ZINC000354962039	ref	-4.24	-11.28	0	273.314	-0.75	4	6	4	Cc1cc(NC(=O)C(=O)NC[C@@](C)(O)CO)sn1
230236319	ZINC000355037999	ref	2.07	-10.36	0	297.355	-0.782	1	4	5	COC[C@@H](C)CNC(=O)C(=O)N1CCN(C2CC2)C(=O)C1
230236344	ZINC000355015898	ref	1.86	-19.93	0	259.302	-0.16	2	5	5	COC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](C)[C@H](C)CO)O1
230236354	ZINC000355040754	ref	-1.31	-18.24	0	287.36	-0.304	3	4	7	CC[C@@H](CCO)NC(=O)NCCC(=O)N1CCOCC1
230236360	ZINC000354887239	ref	-0.33	-15.68	0	270.333	-0.582	3	3	5	CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)N(C)CCC(N)=O
230236373	ZINC000354968609	ref	-0.39	-17.05	0	290.385	-0.599	1	5	4	CCN1CCO[C@H](C(=O)NC[C@H]2CCCS2(=O)=O)C1
187169492	ZINC000125095473	ref	8.59	-9.04	0	277.412	3.043	1	2	4	CC(C)CN(CC(C)(C)C)C(=O)c1n[nH]c2c1CCC2
199273009	ZINC000181262426	ref	8.43	-6.69	0	302.422	3.091	1	5	8	CCOc1ccccc1[C@@H](CC(C)C)NCc1ncnn1C
365633736	ZINC000274353464	ref	1.61	-15.04	0	276.344	1.18	4	3	5	Cc1cc(C[C@@H](C)NC(=O)NCc2c[nH]nc2C)[nH]n1
342595408	ZINC000616965947	ref	3.83	-17.31	0	289.36	1.216	2	4	4	O=C(N[C@@H]1CCNC1=O)c1cccn1Cc1cccs1
303959980	ZINC000563543196	ref	2.78	-17.35	0	320.286	1.895	2	3	5	NCC(F)(F)CC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1
214184602	ZINC000337620499	ref	1.42	-14.49	0	275.345	0.039	1	5	10	CN(CCOCCO)C(=O)CCOC[C@@H]1CCCO1
342600516	ZINC000616999853	mid	6.56	-13.41	0	264.329	1.766	0	5	3	CC(C)[C@@H]1CN(c2cccnc2[N+](=O)[O-])CCN1C
185088048	ZINC000096073484	mid	5.45	-39.39	1	291.395	1.586	2	4	3	CC(C)(O)C[N@H+]1CCC[C@]2(C[C@H](c3cncnc3)CO2)C1
214184603	ZINC000337621872	ref	6.36	-9.2	0	287.338	3.051	1	3	4	Cc1cc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)cnn1
214184606	ZINC000337622706	ref	1.62	-9.31	0	293.367	0.453	3	5	9	CCOC[C@@H](O)CNC(=O)c1ccc(NCC2CC2)nc1
214184610	ZINC000337621310	ref	7.37	-9.9	0	273.727	2.051	1	5	3	Cn1ccnc1CNc1ncnc2cc(Cl)ccc12
187169493	ZINC000125096317	ref	8.39	-39.89	1	277.437	3.111	1	3	5	Cn1ccc(C[NH2+]CCc2nc(C(C)(C)C)cs2)c1
214184611	ZINC000337621310	low	7.85	-39.09	1	273.727	2.051	1	4	3	Cn1cc[nH+]c1CNc1ncnc2cc(Cl)ccc12
214184614	ZINC000337621123	ref	6.57	-9.55	0	283.416	2.073	1	2	5	CC(C)CCC[C@H](C)NC(=O)N1CC(=O)N(C)[C@H](C)C1
214184617	ZINC000337622638	ref	7.89	-10.82	0	285.391	2.197	1	3	5	O=C(c1ccc(NCC2CC2)nc1)N1CC[C@H](C2CC2)C1
282122320	ZINC000422797717	ref	7.08	-35.63	1	316.489	3.101	2	2	8	CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)c1ccccc1
214184619	ZINC000337621121	ref	6.56	-9.62	0	283.416	2.073	1	2	5	CC(C)CCC[C@@H](C)NC(=O)N1CC(=O)N(C)[C@H](C)C1
214184623	ZINC000337620807	ref	5.17	-43.8	1	282.388	0.344	2	2	4	C[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC(=O)N1C
214184626	ZINC000337621175	ref	5.77	-8.56	0	276.384	2.296	1	3	2	CC1(C)CCC(CC(=O)N2CCc3n[nH]nc3C2)CC1
214184629	ZINC000337621175	mid	5.82	-9.99	0	276.384	2.296	1	3	2	CC1(C)CCC(CC(=O)N2CCc3[nH]nnc3C2)CC1
214184631	ZINC000337622631	ref	1.67	-10.41	0	267.329	0.793	2	4	7	C[C@@H](NC(=O)N(C)CCOCCO)c1ccccn1
282122322	ZINC000422797717	low	8.45	-115.87	2	316.489	3.101	2	1	8	CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1
342595409	ZINC000616965830	ref	4.47	-18.66	0	289.379	1.541	2	3	6	CCCN(CC)c1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
187169496	ZINC000125095711	ref	2.88	-12.24	0	280.328	0.614	1	5	6	COCCCCN1C(=O)N[C@](C)(c2cnn(C)c2)C1=O
187169497	ZINC000125097449	ref	0.08	-50.56	1	287.266	0.344	3	3	7	[NH3+]CC(=O)NCC(=O)Nc1ccccc1OCC(F)F
185088050	ZINC000096073444	ref	5.02	-12.05	0	293.363	2.327	0	4	4	COCC[C@H]1CO[C@@]2(CCCN(C(=O)c3ccoc3)C2)C1
342595410	ZINC000616967486	ref	1.27	-16.67	0	267.354	1.193	2	4	3	Cc1nc(C(C)C)sc1C(=O)N[C@H]1CCNC1=O
342595411	ZINC000616965897	ref	4.51	-15.32	0	272.348	1.34	2	2	3	Cc1cc(C)cc(C2(C(=O)N[C@@H]3CCNC3=O)CC2)c1
185088052	ZINC000096073420	ref	4.11	-10.35	0	279.384	1.817	1	4	5	COCC[C@H]1CO[C@@]2(CCCN(Cc3c[nH]cn3)C2)C1
185088054	ZINC000096073420	mid	6.59	-35.53	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
342595412	ZINC000616965825	ref	3.4	-16.77	0	264.3	1.324	2	2	4	C[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1
185088056	ZINC000096073420	mid	6.42	-35.28	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
187169498	ZINC000125097449	mid	-0.33	-14.03	0	287.266	0.344	3	4	7	NCC(=O)NCC(=O)Nc1ccccc1OCC(F)F
187169499	ZINC000125099273	ref	2.54	-11.84	0	292.379	1.88	3	3	5	C[C@@H](O)C[C@H]1CCCN1C(=O)NCCc1cccc(O)c1
398248668	ZINC000069838742	ref	4.08	-54.16	1	238.356	2.474	2	2	5	CSc1cccc(NC(=O)CC[C@@H](C)[NH3+])c1
185088058	ZINC000096073420	mid	6.23	-42.28	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
185088060	ZINC000096073420	mid	6.72	-41.6	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
342595413	ZINC000590777133	ref	1.1	-13.84	0	252.339	1.081	1	5	6	N#CC1CN(C[C@H](O)COCc2cccs2)C1
197592553	ZINC000290093638	ref	6.92	-35.81	1	292.423	3.035	2	2	8	CC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1C)OC
187169501	ZINC000125100286	ref	5.46	-45.37	1	278.425	2.357	1	4	7	CCn1nccc1C[NH2+]C[C@H](c1cccs1)N(C)C
185088062	ZINC000096073420	high	4.38	-9.2	0	279.384	1.817	1	4	5	COCC[C@H]1CO[C@@]2(CCCN(Cc3cnc[nH]3)C2)C1
187169502	ZINC000125100286	high	4.87	-5.37	0	278.425	2.357	1	5	7	CCn1nccc1CNC[C@H](c1cccs1)N(C)C
299072177	ZINC000567661180	ref	4.89	-53.12	1	275.439	2.279	1	3	7	Cc1cc(C[NH2+]CCCCS(C)(=O)=O)c(C)s1
187169503	ZINC000125095981	ref	3.36	-10.58	0	269.366	2.159	2	4	6	CC[C@H](SC)C(=O)NCc1ccc(OC)c(O)c1
398248672	ZINC000650439960	ref	2.39	-9.44	0	220.244	1.918	1	3	4	CC(F)(F)CCNC(=O)c1nccs1
178301180	ZINC000237179176	ref	9.61	-102.84	2	359.518	1.298	2	3	6	C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1
398248669	ZINC000651459151	ref	7.9	-7.04	0	264.413	3.395	1	1	2	CC(C)[C@@H]1N(C(=O)NC2CC3(CCC3)C2)CC1(C)C
361823435	ZINC000351630761	high	5.36	-16.21	0	274.368	1.712	1	5	5	C[C@H]1CC[C@H](N(CCO)Cc2cn3cccnc3n2)C1
361823440	ZINC000351629991	ref	2.39	-11.21	0	288.351	1.548	2	5	6	CC[C@](C)(CCO)NC(=O)c1cnn(-c2cccnc2)c1
361823448	ZINC000351631469	ref	5.35	-43.36	1	295.383	1.216	3	4	7	Cc1cc(NC(=O)CC[N@@H+](CCO)[C@H]2CC[C@H](C)C2)no1
361823451	ZINC000351631469	mid	4.98	-42.26	1	295.383	1.216	3	4	7	Cc1cc(NC(=O)CC[N@H+](CCO)[C@H]2CC[C@H](C)C2)no1
361823458	ZINC000351631103	ref	1.02	-12.22	0	292.383	1.389	0	6	5	CC(=O)CCC(C)(C)c1nc([C@@H]2CN3CCN2CC3)no1
361823464	ZINC000351631099	ref	6.32	-11.58	0	259.349	1.944	1	2	4	O=C(C[C@H]1CCOC1)NCC1Cc2ccccc2C1
361823471	ZINC000351630763	ref	8.41	-36.72	1	274.368	1.712	2	4	5	C[C@@H]1CC[C@@H]([N@H+](CCO)Cc2cn3cccnc3n2)C1
361823476	ZINC000351630763	mid	7.88	-36.33	1	274.368	1.712	2	4	5	C[C@@H]1CC[C@@H]([N@@H+](CCO)Cc2cn3cccnc3n2)C1
361823480	ZINC000351630763	high	5.93	-15.26	0	274.368	1.712	1	5	5	C[C@@H]1CC[C@@H](N(CCO)Cc2cn3cccnc3n2)C1
361823485	ZINC000351631472	ref	5.38	-43.3	1	295.383	1.216	3	4	7	Cc1cc(NC(=O)CC[N@@H+](CCO)[C@H]2CC[C@@H](C)C2)no1
361823491	ZINC000351631472	mid	5.0	-42.25	1	295.383	1.216	3	4	7	Cc1cc(NC(=O)CC[N@H+](CCO)[C@H]2CC[C@@H](C)C2)no1
361823496	ZINC000351633598	ref	2.26	-10.88	0	297.424	1.874	3	4	8	C/C=C\C[C@H](CO)NC(=O)NCCc1ncc(CC)s1
361823498	ZINC000351629979	ref	6.28	-46.31	1	270.417	1.896	2	2	6	C[NH+](C)CC[C@H](NC(=O)C[C@H]1CCOC1)C(C)(C)C
361823501	ZINC000351631599	ref	5.6	-44.69	1	263.385	1.927	2	3	6	C=CCC[C@@H](O)C[N@H+]1CCC[C@H](c2ccnn2C)C1
361823504	ZINC000351631599	mid	6.06	-44.21	1	263.385	1.927	2	3	6	C=CCC[C@@H](O)C[N@@H+]1CCC[C@H](c2ccnn2C)C1
361823512	ZINC000351631033	ref	7.71	-39.94	1	253.39	1.768	2	1	4	C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CC1
361823516	ZINC000351631033	high	5.32	-8.8	0	253.39	1.768	1	2	4	C[C@H](C1CCN(C)CC1)N(C)C(=O)NCC1CC1
361823523	ZINC000351630137	ref	0.86	-8.13	0	256.346	1.182	3	3	6	C/C=C\C[C@H](CO)NC(=O)NC[C@@]1(C)CCCO1
361823529	ZINC000351630089	ref	3.05	-14.48	0	256.269	1.172	3	4	3	C[C@@H](NC(=O)c1cccc2n[nH]cc12)c1nc[nH]n1
361823535	ZINC000351630089	mid	3.54	-14.82	0	256.269	1.172	3	4	3	C[C@@H](NC(=O)c1cccc2n[nH]cc12)c1nnc[nH]1
398248670	ZINC000649442886	ref	3.47	-46.69	1	216.284	1.091	2	1	3	NC(=O)Cc1ccc(C2=CC[NH2+]CC2)cc1
398248673	ZINC000649442997	ref	5.0	-47.47	1	230.311	1.699	2	1	3	CC(=O)NCc1cccc(C2=CC[NH2+]CC2)c1
398248675	ZINC000649442983	ref	3.47	-55.69	1	214.268	1.307	2	1	1	O=C1NCc2c1cccc2C1=CC[NH2+]CC1
398248679	ZINC000649442924	ref	7.98	-42.02	1	229.348	3.586	1	1	1	Cc1csc2c(C3=CC[NH2+]CC3)cccc12
178301181	ZINC000237179176	high	7.62	-54.32	1	359.518	1.298	1	4	6	C[NH2+]C[C@@H](C)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
178301184	ZINC000237189297	ref	5.14	-58.03	1	358.442	1.347	3	4	5	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](C[NH3+])C3CCCCC3)ccc21
178301186	ZINC000237197138	ref	5.24	-53.52	1	355.236	1.241	2	3	4	C[NH2+]CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1
398248681	ZINC000649442892	ref	4.98	-46.31	1	215.252	1.638	1	2	1	O=C1COc2ccc(C3=CC[NH2+]CC3)cc21
398248684	ZINC000649442892	high	4.15	-78.67	0	215.252	1.638	1	2	1	[O-]c1coc2ccc(C3=CC[NH2+]CC3)cc12
398248688	ZINC000649442660	ref	5.68	-11.19	0	241.294	2.28	1	3	1	Cc1nn(C)cc1-c1ccc2c(c1)NC(=O)CC2
398248690	ZINC000649442875	ref	7.07	-49.36	1	224.307	2.92	1	1	1	Cc1ccc(C2=CC[NH2+]CC2)c2cccnc12
178301191	ZINC000237197138	high	3.79	-13.48	0	355.236	1.241	2	4	4	CNCC(=O)N1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1
398249437	ZINC000650871478	ref	4.0	-8.13	0	296.411	1.917	2	3	5	C[C@]1(CNC(=O)N[C@H](C2CCOCC2)C2CC2)CCOC1
398249442	ZINC000650875351	ref	7.96	-47.12	1	291.37	1.864	1	2	3	O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H](F)C1
398249447	ZINC000650875351	mid	7.69	-45.73	1	291.37	1.864	1	2	3	O=C([C@H]1CCC[N@@H+](Cc2cccnc2)C1)N1CC[C@H](F)C1
178301194	ZINC000237192273	ref	4.84	-62.73	1	358.486	1.162	1	3	4	CN1CCN(C(=O)CC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1
398249449	ZINC000650875351	high	5.48	-9.98	0	291.37	1.864	0	3	3	O=C([C@H]1CCCN(Cc2cccnc2)C1)N1CC[C@H](F)C1
365633738	ZINC000643091967	ref	2.6	-52.09	1	297.424	1.177	2	2	7	CCc1ccccc1[C@@H]([NH3+])CNS(=O)(=O)N(C)C1CC1
398249451	ZINC000650875437	ref	4.35	-14.89	0	266.345	1.092	1	4	4	CC[C@H]1CN(C(=O)NCCn2cccn2)[C@@H](C)CO1
178305303	ZINC000048248875	ref	7.14	-15.43	0	247.367	2.89	1	3	3	Cc1cc2ncn([C@@H](C)CC(N)=S)c2cc1C
398249453	ZINC000650875436	ref	4.19	-13.92	0	266.345	1.092	1	4	4	CC[C@@H]1CN(C(=O)NCCn2cccn2)[C@@H](C)CO1
398249457	ZINC000650871671	ref	2.75	-11.48	0	284.4	1.463	2	3	4	C[C@@H](CO)C1CCN(C(=O)NC[C@]2(C)CCOC2)CC1
178301182	ZINC000082797966	mid	2.57	-7.66	0	261.372	1.299	1	7	5	COC(=O)[C@](C)(N)C[C@@H](C)Sc1nncs1
214184613	ZINC000053478780	mid	6.95	-48.05	1	333.407	1.227	3	2	6	O=C(Cc1ccccc1F)NC1CC[NH+](CC(=O)NC2CC2)CC1
214184618	ZINC000053466035	ref	4.14	-47.15	-1	334.759	3.866	2	4	4	CCOC(=O)Nc1ccc(NC(=O)c2ccc([O-])c(Cl)c2)cc1
178301185	ZINC000082797657	ref	2.88	-38.76	1	258.412	2.082	2	3	6	C[NH2+][C@](C)(C[C@@H](C)Sc1cccs1)C(N)=O
214184621	ZINC000053466035	mid	3.37	-17.24	0	334.759	3.866	3	4	4	CCOC(=O)Nc1ccc(NC(=O)c2ccc(O)c(Cl)c2)cc1
178301188	ZINC000082797657	high	1.7	-5.53	0	258.412	2.082	2	4	6	CN[C@](C)(C[C@@H](C)Sc1cccs1)C(N)=O
214184625	ZINC000053482378	ref	6.66	-18.35	0	344.436	3.368	1	4	6	C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(C(N)=O)cs2)C2CC2)o1
178301190	ZINC000082796563	ref	4.56	-47.15	1	262.309	0.551	2	3	3	COC(=O)[C@@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21
398248674	ZINC000651459693	ref	7.7	-9.05	0	262.353	3.062	1	2	3	Cc1ccc(CN(C)C(=O)NC2CC3(CCC3)C2)o1
178301192	ZINC000082796563	high	3.05	-7.77	0	262.309	0.551	2	4	3	COC(=O)[C@@H](C)NC(=O)[C@H]1CNCc2ccccc21
342078639	ZINC000625295602	ref	7.95	-84.35	2	290.411	1.354	2	3	3	CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1
214184633	ZINC000053473539	ref	5.88	-13.2	0	340.855	1.305	0	4	5	CCN(CC)C(=O)CN1CCN(C(=O)c2cc(Cl)cn2C)CC1
342078640	ZINC000625295602	mid	8.47	-89.05	2	290.411	1.354	2	3	3	CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1
342078641	ZINC000625295602	low	5.16	-10.7	0	290.411	1.354	2	2	3	CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1
365633740	ZINC000617415945	ref	6.03	-52.5	1	288.351	0.952	3	3	3	C[N@@H+]1CCC[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1
342078642	ZINC000625295602	low	8.47	-89.05	2	290.411	1.354	2	2	3	CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)[nH+]c3C2)C1
214184640	ZINC000053492893	ref	9.46	-16.14	0	343.471	2.663	1	2	6	O=C1CCCN1CCCNC(=O)N1CCC(Cc2ccccc2)CC1
306234648	ZINC000557898934	ref	9.99	-54.14	1	348.451	1.597	2	5	10	CCc1nncn1CCNC(=O)N(C)CCC[N@H+](C)Cc1ccco1
342078643	ZINC000625295602	high	5.16	-10.7	0	290.411	1.354	1	4	3	CCN1CCC[C@H](NC(=O)[C@H]2CCn3cc(C)nc3C2)C1
342078644	ZINC000625295976	ref	1.21	-12.86	0	275.308	1.619	2	5	5	CCc1nc(CCNC(=O)c2c(C)cccc2O)no1
342078645	ZINC000625295976	high	1.98	-54.09	-1	275.308	1.619	1	5	5	CCc1nc(CCNC(=O)c2c(C)cccc2[O-])no1
185088064	ZINC000096073099	ref	6.98	-7.75	0	281.396	2.363	0	3	5	CCCC(=O)N1CCC2(CC1)C[C@@H](OCC1CC1)CO2
185088067	ZINC000096073176	ref	5.1	-11.58	0	290.363	1.768	0	4	3	CC(=O)N1CCC2(CC1)C[C@H](OCc1cccnc1)CO2
185088069	ZINC000096073320	ref	5.97	-33.32	1	276.38	2.481	1	3	3	COc1ncccc1C[N@@H+]1CCC[C@]2(C[C@@H](C)CO2)C1
342595414	ZINC000590777186	ref	3.97	-12.91	0	261.3	1.918	1	3	4	Cc1c(F)cccc1NC(=O)CCN1CC(C#N)C1
185088070	ZINC000096073320	mid	5.79	-34.98	1	276.38	2.481	1	3	3	COc1ncccc1C[N@H+]1CCC[C@]2(C[C@@H](C)CO2)C1
136229173	ZINC000292803232	mid	5.88	-36.56	1	237.343	2.327	2	2	8	C=CC[N@H+](CCc1ccco1)C[C@H](O)C(C)C
342595415	ZINC000194442024	ref	4.17	-8.76	0	293.396	1.453	0	7	6	Cn1nnc(CN(Cc2cccs2)C[C@H]2CCCO2)n1
187169504	ZINC000125097006	ref	8.24	-51.38	1	272.396	2.519	1	3	8	CCn1nccc1C[NH2+]CCCN(C)c1ccccc1
342595416	ZINC000590777132	ref	1.25	-13.85	0	252.339	1.081	1	5	6	N#CC1CN(C[C@@H](O)COCc2cccs2)C1
185088071	ZINC000096073320	mid	3.42	-5.99	0	276.38	2.481	0	4	3	COc1ncccc1CN1CCC[C@]2(C[C@@H](C)CO2)C1
349535955	ZINC000621246084	ref	2.96	-89.16	2	266.389	2.048	2	3	6	CC(C)C[C@H]([NH3+])c1noc(CC[C@@H]2CCC[NH2+]C2)n1
342595417	ZINC000590777239	ref	2.88	-16.98	0	268.338	1.402	0	5	6	Cc1cc(C)nc(S(=O)(=O)CCOCCC#N)c1
361823728	ZINC000439692088	mid	8.18	-47.7	1	284.4	1.566	2	3	7	CCOC(=O)CC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C
398248676	ZINC000390784200	ref	4.93	-34.8	1	212.337	1.489	1	1	4	CCN(CC(C)C)C(=O)[C@H]1[NH2+]CC1(C)C
342595418	ZINC000590777196	ref	3.63	-12.12	0	274.364	1.807	1	4	5	Cc1ccc(C)c(OC[C@@H](O)CN2CC(C#N)C2)c1C
342595419	ZINC000616967477	ref	3.79	-22.39	0	276.311	1.252	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2cccc(F)c2)CCC1
342595420	ZINC000616966033	ref	3.66	-20.62	0	296.754	1.42	2	3	4	Cc1cc(O[C@H](C)C(=O)N[C@@H]2CCNC2=O)ccc1Cl
398248680	ZINC000390784200	high	3.39	-8.01	0	212.337	1.489	1	2	4	CCN(CC(C)C)C(=O)[C@H]1NCC1(C)C
342595421	ZINC000616962746	ref	2.71	-18.4	0	297.152	1.376	2	2	2	Cc1ccc(Br)c(C(=O)N[C@H]2CCNC2=O)c1
185088078	ZINC000096073321	ref	6.06	-32.42	1	276.38	2.481	1	3	3	COc1ncccc1C[N@@H+]1CCC[C@]2(C[C@H](C)CO2)C1
342595422	ZINC000590777620	ref	4.79	-11.92	0	295.73	1.652	1	7	5	CCOC(=O)c1cc(NCc2nnn(C)n2)ccc1Cl
342595423	ZINC000616962747	ref	2.71	-18.47	0	297.152	1.376	2	2	2	Cc1ccc(Br)c(C(=O)N[C@@H]2CCNC2=O)c1
342595424	ZINC000194434783	ref	5.0	-14.39	0	257.249	1.515	1	5	3	COC(=O)c1ccc(C(=O)Nc2cnccn2)cc1
282122323	ZINC000449152721	ref	6.76	-49.28	1	276.38	2.103	1	2	5	COc1cc(C)ccc1C[NH2+][C@@H]1CC(=O)N(C(C)C)C1
199273011	ZINC000181262426	low	9.4	-41.62	1	302.422	3.091	1	4	8	CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1ncnn1C
282122328	ZINC000449152721	mid	5.53	-8.53	0	276.38	2.103	1	3	5	COc1cc(C)ccc1CN[C@@H]1CC(=O)N(C(C)C)C1
214184632	ZINC000278484807	ref	8.23	-46.89	1	301.434	2.716	3	1	6	C[C@H](CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1
214184636	ZINC000278484807	mid	8.32	-47.49	1	301.434	2.716	3	1	6	C[C@H](CC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1
214184638	ZINC000278484807	high	5.67	-8.57	0	301.434	2.716	2	2	6	C[C@H](CCN1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1
342595425	ZINC000616965908	ref	3.24	-18.0	0	274.32	1.094	2	3	5	O=C(N[C@H]1CCNC1=O)c1ccc(OCC2CC2)cc1
214184641	ZINC000278485038	ref	6.79	-11.02	0	302.426	2.981	2	6	7	CC(C)c1cc(NCCNc2ccn(C)n2)nc(C(C)C)n1
187169505	ZINC000125097006	high	6.82	-7.29	0	272.396	2.519	1	4	8	CCn1nccc1CNCCCN(C)c1ccccc1
214184645	ZINC000278485038	low	7.25	-30.27	1	302.426	2.981	2	5	7	CC(C)c1cc(NCCNc2ccn(C)n2)nc(C(C)C)[nH+]1
214184649	ZINC000278485823	ref	1.54	-15.99	0	301.387	1.043	1	4	4	CNS(=O)(=O)C1CCN(Cc2ccc(F)nc2C)CC1
214184655	ZINC000278485823	mid	3.19	-63.8	1	301.387	1.043	2	3	4	CNS(=O)(=O)C1CC[NH+](Cc2ccc(F)nc2C)CC1
282122332	ZINC000449152967	ref	6.43	-45.82	1	294.439	2.325	1	2	3	CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)C1
214184658	ZINC000278485771	ref	6.62	-15.68	0	316.401	2.321	2	3	5	CC(=O)N[C@H](CC1CCC1)C(=O)N[C@H]1CCOc2ccccc21
214184661	ZINC000278486723	ref	4.43	-17.9	0	313.386	1.88	1	6	3	O=C(NC[C@H]1CCc2nccn2C1)c1nc2cccnc2s1
214184664	ZINC000278486723	mid	4.9	-41.45	1	313.386	1.88	1	5	3	O=C(NC[C@H]1CCc2[nH+]ccn2C1)c1nc2cccnc2s1
214184668	ZINC000278485228	ref	6.82	-48.62	1	324.222	2.66	1	3	6	Cc1ccccc1OCC[NH2+]Cc1c(Br)cnn1C
214184670	ZINC000278485228	mid	5.47	-7.23	0	324.222	2.66	1	4	6	Cc1ccccc1OCCNCc1c(Br)cnn1C
214184675	ZINC000278485661	ref	3.69	-43.73	1	304.365	2.916	2	3	5	OC1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1
349534645	ZINC000093285733	high	3.67	-11.52	0	294.403	0.879	2	5	5	Cn1cnc(CNC(=O)NCC(C)(C)N2CCCCC2)n1
187169506	ZINC000125095452	ref	0.25	-10.9	0	272.732	1.53	3	3	6	COc1ccc(CNC(=O)NCCCO)cc1Cl
185088080	ZINC000096073321	mid	5.78	-34.46	1	276.38	2.481	1	3	3	COc1ncccc1C[N@H+]1CCC[C@]2(C[C@H](C)CO2)C1
185088082	ZINC000096073321	mid	3.52	-5.93	0	276.38	2.481	0	4	3	COc1ncccc1CN1CCC[C@]2(C[C@H](C)CO2)C1
185088083	ZINC000096073286	ref	6.03	-8.44	0	292.379	1.825	0	4	3	CCO[C@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1
185088084	ZINC000096075000	ref	4.61	-22.19	0	288.351	1.414	1	3	2	CN(C)C(=O)N1CC[C@]2(C[C@@H]2C(=O)Nc2cccnc2)C1
185386246	ZINC000096752989	mid	3.38	-52.19	1	323.34	1.614	2	4	5	O=C(NCCC[NH+]1CCOCC1)c1scnc1C(F)(F)F
185088086	ZINC000096073309	ref	9.82	-38.05	1	259.393	3.12	1	1	3	C[C@@H]1CO[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1
185088087	ZINC000096073309	mid	9.82	-35.65	1	259.393	3.12	1	1	3	C[C@@H]1CO[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1
178301196	ZINC000223770910	ref	2.57	-12.37	0	219.288	1.618	2	4	3	Cc1cc2nc(C)n(CCCO)c2cc1N
178301200	ZINC000223770910	mid	3.01	-28.63	1	219.288	1.618	2	3	3	Cc1cc2[nH+]c(C)n(CCCO)c2cc1N
185088088	ZINC000096074603	ref	6.19	-37.72	1	292.383	0.747	1	4	2	CC[N@@H+]1CCOCC12CCN(C(=O)c1nccn1C)CC2
185088089	ZINC000096074603	mid	6.19	-37.61	1	292.383	0.747	1	4	2	CC[N@H+]1CCOCC12CCN(C(=O)c1nccn1C)CC2
185088090	ZINC000096074603	mid	4.12	-7.98	0	292.383	0.747	0	5	2	CCN1CCOCC12CCN(C(=O)c1nccn1C)CC2
398248678	ZINC000651460745	ref	6.96	-5.74	0	250.386	3.197	2	1	3	CC(C)(NC(=O)NC1CC2(CCC2)C1)C1CCC1
185088091	ZINC000096072971	ref	8.69	-35.6	1	292.398	3.248	1	2	3	CC(C)[C@@H]1COC2(CC[NH+](Cc3ccncc3F)CC2)C1
214184635	ZINC000337620661	ref	8.64	-13.38	0	298.39	2.487	2	3	6	CC[C@H]1C[C@@]1(NC(=O)CCc1nnc[nH]1)c1cccc(C)c1
398248682	ZINC000651459007	ref	8.13	-5.52	0	294.439	3.166	1	2	5	COCCN(C(=O)NC1CC2(CCC2)C1)[C@H]1CC[C@@H](C)C1
214184637	ZINC000337620661	mid	8.25	-12.74	0	298.39	2.487	2	3	6	CC[C@H]1C[C@@]1(NC(=O)CCc1nc[nH]n1)c1cccc(C)c1
178301209	ZINC000040308851	ref	4.79	-13.71	0	229.283	2.059	1	4	3	Cc1cc2nc(CO)n(CCC#N)c2cc1C
185088092	ZINC000096072971	high	6.45	-4.06	0	292.398	3.248	0	3	3	CC(C)[C@@H]1COC2(CCN(Cc3ccncc3F)CC2)C1
178301213	ZINC000006796972	ref	7.76	-30.91	1	229.287	1.46	3	2	1	Cc1cc2nc(NC(N)=[NH2+])nc(C)c2cc1C
178301217	ZINC000006796972	mid	7.7	-10.98	0	229.287	1.46	3	3	1	Cc1cc2nc(NC(=N)N)nc(C)c2cc1C
282122324	ZINC000151662440	ref	4.55	-7.81	0	307.39	2.033	1	4	6	COC[C@@H](NC(=O)[C@@H]1COc2ccc(OC)cc2C1)C(C)C
365633743	ZINC000336550122	ref	6.03	-8.98	0	281.396	2.221	0	3	2	O=C(C1CCOCC1)N1CCO[C@@H](C2CCCCC2)C1
342595426	ZINC000616967491	ref	4.64	-16.47	0	290.338	1.642	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccccc2F)CCCC1
342595427	ZINC000590777174	ref	2.69	-13.85	0	280.755	1.673	1	4	6	N#CC1CN(C[C@@H](O)COCc2ccc(Cl)cc2)C1
282122325	ZINC000248970338	low	6.84	-40.79	1	310.438	1.657	1	3	3	CC[C@]1(C)C[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1
187169507	ZINC000125096632	ref	7.81	-6.63	0	277.27	2.416	0	2	2	O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(F)cc1F
185091427	ZINC000096081291	ref	6.18	-15.1	0	274.368	1.005	0	4	4	Cn1ccnc1CN1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1
365633753	ZINC000336550312	ref	7.23	-14.38	0	291.322	2.036	0	3	2	O=C1CCC[C@H]1[C@H]1COCCN1C(=O)c1cccc(F)c1
342595428	ZINC000616967478	ref	3.81	-18.83	0	276.311	1.252	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCC1
342595429	ZINC000616965840	ref	2.47	-20.02	0	290.216	1.463	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(F)c(C(F)(F)F)c1
365633764	ZINC000336550623	ref	5.32	-8.33	0	297.349	2.373	1	2	3	CC[C@H](NC(=O)N1CCN(C)CC1)c1cc(F)ccc1F
365633773	ZINC000336550623	mid	7.68	-45.64	1	297.349	2.373	2	1	3	CC[C@H](NC(=O)N1CC[NH+](C)CC1)c1cc(F)ccc1F
365633781	ZINC000336550331	ref	7.85	-12.24	0	264.373	2.342	1	4	2	C[C@H]1CCCC[C@H]1NC(=O)c1ncn(C(C)(C)C)n1
365633789	ZINC000336550654	ref	5.74	-11.43	0	263.247	2.497	1	3	3	C[C@@H](C(=O)Nc1cncnc1)c1c(F)cccc1F
365633799	ZINC000336550599	ref	7.39	-10.46	0	275.323	2.294	1	2	3	O=C1CC(C(=O)N[C@@H]2CCC[C@@H]2F)(c2ccccc2)C1
365633807	ZINC000336550057	ref	5.88	-10.97	0	278.377	2.367	0	3	3	CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cccc(C#N)c1
365633814	ZINC000336550721	ref	4.1	-11.03	0	271.719	2.242	1	2	2	Cc1c(F)ccc(Cl)c1C(=O)N1CC[C@H](CO)C1
365633822	ZINC000336550125	ref	6.2	-7.49	0	299.436	2.07	0	4	3	O=C(CC[C@@H]1CCCO1)N1CCSC2(CCOCC2)C1
342595430	ZINC000590777138	ref	4.81	-54.41	1	253.346	1.083	3	2	4	NC(=O)NC(=O)CC[NH+]1CC(C2CCCCC2)C1
187169508	ZINC000125101194	ref	4.16	-7.07	0	298.818	2.915	3	5	6	CNc1c(Cl)ncnc1NCCC[C@@H]1CCCC[C@@H]1O
365633832	ZINC000336550492	ref	5.75	-13.83	0	294.42	2.433	1	3	3	CC(=O)N[C@H](C)C1CCN(C(=O)c2ccc(C)s2)CC1
342595431	ZINC000590777138	high	1.62	-16.08	0	253.346	1.083	2	3	4	NC(=O)NC(=O)CCN1CC(C2CCCCC2)C1
365633842	ZINC000336550664	ref	7.3	-10.37	0	290.407	2.25	1	2	3	O=C(N[C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)C1CC=CC1
178301198	ZINC000237192273	mid	7.18	-106.69	2	358.486	1.162	2	2	4	C[NH+]1CCN(C(=O)CC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1
214184639	ZINC000337623095	ref	6.61	-9.66	0	288.416	3.468	1	3	4	Cc1ncc(C(=O)NCC(C)(C)c2ccccc2C)s1
178301202	ZINC000237178906	ref	10.13	-70.43	-1	369.299	1.716	0	6	4	Cc1cc(=O)c(C(=O)N(C)CC(=O)[O-])nn1-c1ccccc1C(F)(F)F
282122326	ZINC000248970338	low	6.84	-40.79	1	310.438	1.657	1	3	3	CC[C@]1(C)C[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCO1
185088096	ZINC000096073928	ref	7.73	-46.4	1	273.38	1.916	1	2	3	CCN1CC[C@]2(CCC[N@H+](Cc3ccncc3)C2)C1=O
185088097	ZINC000096073928	mid	8.01	-41.55	1	273.38	1.916	1	2	3	CCN1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)C1=O
214184642	ZINC000337621010	ref	7.13	-7.22	0	287.407	2.491	2	3	7	CC(C)C1(CNC(=O)c2ccc(NCC3CC3)nc2)CC1
282122330	ZINC000248970385	ref	8.78	-48.6	0	305.378	1.904	2	4	5	CC[C@@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1
185088098	ZINC000096073928	high	6.17	-11.46	0	273.38	1.916	0	3	3	CCN1CC[C@]2(CCCN(Cc3ccncc3)C2)C1=O
185088099	ZINC000096072177	ref	6.67	-35.11	1	265.328	2.205	1	2	3	CO[C@@H]1CO[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1
185088100	ZINC000096072177	mid	6.37	-34.98	1	265.328	2.205	1	2	3	CO[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3F)C2)C1
178301207	ZINC000237185728	ref	3.26	-59.43	1	359.474	1.77	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)N[C@@H]3CCC[C@H]3C[NH3+])c(C)c12
178301212	ZINC000237183167	ref	4.13	-48.84	1	360.863	1.875	1	4	4	COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1
178301216	ZINC000237198872	ref	2.98	-49.2	1	359.879	1.32	2	3	5	CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c1
178301218	ZINC000237186034	ref	7.52	-49.07	1	361.486	1.908	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccccc2OC)C(C)C)C1
185088101	ZINC000096072177	mid	3.88	-5.53	0	265.328	2.205	0	3	3	CO[C@@H]1CO[C@]2(CCN(Cc3ccccc3F)C2)C1
185088102	ZINC000096074581	ref	5.61	-35.04	1	275.396	1.687	1	3	2	Cc1cccc(C[NH+]2CCC3(CC2)COCCN3C)n1
185088103	ZINC000096074581	mid	4.44	-36.03	1	275.396	1.687	1	3	2	Cc1cccc(CN2CCC3(CC2)COCC[N@H+]3C)n1
178301221	ZINC000237193270	ref	4.38	-57.21	1	358.486	1.603	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)CC1
187169509	ZINC000125092874	ref	5.59	-8.85	0	288.363	2.55	0	3	4	CC[C@@H]1CN(C(=O)c2cccs2)CCN1CC(F)F
168366028	ZINC000044460821	ref	1.72	-44.69	1	176.672	1.686	1	2	2	C[C@@H]([NH3+])Cc1cnc(Cl)s1
295666263	ZINC000368817259	ref	7.2	-9.95	0	318.417	2.586	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCCOCC1
187169510	ZINC000125101409	ref	7.5	-8.25	0	265.303	3.127	1	1	3	CC1(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CCC1
343993838	ZINC000079920758	ref	5.65	-15.41	0	275.352	2.295	1	4	8	CC(C)C[C@H](C#N)NC(=O)CCCOc1cccnc1
365633744	ZINC000274353464	mid	1.6	-15.4	0	276.344	1.18	4	3	5	Cc1cc(C[C@@H](C)NC(=O)NCc2c[nH]nc2C)n[nH]1
365633755	ZINC000274356388	ref	3.58	-21.47	0	276.336	1.107	2	3	5	COc1ccc2c(c1)CCC[C@H]2CNC(=O)CC(N)=O
349534646	ZINC000621233639	ref	8.69	-9.85	0	293.411	2.498	0	4	7	CC(C)CCO[C@@H]1CCN(C(=O)C[C@@H](C)n2ccnc2)C1
365633762	ZINC000274355036	ref	3.06	-34.35	1	267.348	1.108	2	3	4	C[C@H]1CN(Cc2cncc(F)c2)CC[N@H+]1C[C@@H](C)O
187169511	ZINC000125096197	ref	4.99	-9.24	0	255.318	2.192	1	3	1	O=C(Nc1ccc(F)nc1)N1CCCSCC1
365633772	ZINC000274355036	mid	2.69	-31.92	1	267.348	1.108	2	3	4	C[C@H]1CN(Cc2cncc(F)c2)CC[N@@H+]1C[C@@H](C)O
299072179	ZINC000358088764	ref	3.75	-12.3	0	309.41	1.792	2	3	5	CN(C(=O)CCC[C@@]1(C)NC(=O)NC1=O)[C@@H]1CCC(C)(C)C1
365633780	ZINC000274355036	mid	0.51	-5.22	0	267.348	1.108	1	4	4	C[C@H]1CN(Cc2cncc(F)c2)CCN1C[C@@H](C)O
299072187	ZINC000358087056	ref	6.64	-51.13	1	303.366	1.596	2	5	7	COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCn1cncn1
365633788	ZINC000274354336	ref	2.98	-12.49	0	274.276	1.937	1	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1ccon1)CCO2
365633801	ZINC000274354639	ref	2.16	-6.72	0	255.339	1.36	1	4	3	C[C@@H](O)C[C@H]1COCCN1C(=O)c1cccs1
282122327	ZINC000151639122	ref	6.54	-44.62	1	313.486	2.301	3	2	6	CC(C)(C)CCCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1
282122334	ZINC000151639122	mid	4.78	-9.24	0	313.486	2.301	2	3	6	CC(C)(C)CCCCNC(=O)N1CCN(CC(C)(C)O)CC1
214184643	ZINC000293577363	ref	3.66	-13.4	0	367.377	0.828	3	5	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)ccc1F)C(C)C
365633813	ZINC000274355205	ref	2.97	-39.96	1	295.408	1.172	3	3	4	C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(N)c2)C[N@@H+]1C1CC1
365633823	ZINC000274355205	mid	2.74	-40.39	1	295.408	1.172	3	3	4	C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(N)c2)C[N@H+]1C1CC1
365633831	ZINC000274355205	mid	0.8	-9.33	0	295.408	1.172	2	4	4	C[C@H]1C[C@@H](NS(=O)(=O)c2cccc(N)c2)CN1C1CC1
349534651	ZINC000621233639	low	9.36	-37.25	1	293.411	2.498	0	3	7	CC(C)CCO[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2)C1
365633840	ZINC000274355887	ref	3.06	-10.19	0	294.399	1.969	3	3	5	Cc1n[nH]cc1CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)C
178301210	ZINC000082796499	ref	4.92	-50.62	1	253.305	1.907	2	2	2	O=C(Nc1cccnc1)[C@H]1C[NH2+]Cc2ccccc21
365633746	ZINC000643091967	high	2.14	-9.15	0	297.424	1.177	2	3	7	CCc1ccccc1[C@@H](N)CNS(=O)(=O)N(C)C1CC1
365633756	ZINC000172893146	ref	3.82	-11.74	0	286.353	1.01	1	4	6	COC(=O)CCc1ccc(NS(=O)(=O)N(C)C)cc1
178301211	ZINC000082796499	high	3.23	-9.7	0	253.305	1.907	2	3	2	O=C(Nc1cccnc1)[C@H]1CNCc2ccccc21
365633766	ZINC000172889089	ref	3.9	-14.69	0	256.367	1.988	1	3	4	Cc1cc(C)cc(CS(=O)(=O)[C@@H](C)[C@H](C)O)c1
365633775	ZINC000172889838	ref	1.16	-12.12	0	291.76	1.517	2	3	4	CC(=O)Nc1ccc(Cl)cc1NS(=O)(=O)N(C)C
365633790	ZINC000172888122	ref	1.74	-10.11	0	288.369	1.32	1	4	8	COCCCOc1ccccc1NS(=O)(=O)N(C)C
342078646	ZINC000625295545	ref	5.56	-11.47	0	272.352	1.467	2	3	2	Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c2nccn2c1
365633798	ZINC000172891127	ref	2.36	-8.3	0	258.343	1.441	1	3	6	CCOCc1cccc(NS(=O)(=O)N(C)C)c1
343993840	ZINC000599271143	ref	1.78	-13.45	0	260.359	1.023	1	4	4	CC(C)(C#N)CNS(=O)(=O)[C@H]1COC(C)(C)C1
365633805	ZINC000565363086	ref	6.04	-52.29	1	289.383	1.297	2	5	5	C[N@H+](CC[C@H]1CCCO1)C[C@H]1CNc2c(C#N)cnn2C1
185088104	ZINC000096074581	mid	4.44	-35.58	1	275.396	1.687	1	3	2	Cc1cccc(CN2CCC3(CC2)COCC[N@@H+]3C)n1
343993845	ZINC000599270304	ref	5.21	-41.49	1	252.358	1.542	2	3	6	C[N@H+](C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CCCCO1
343993846	ZINC000599270304	mid	5.18	-43.42	1	252.358	1.542	2	3	6	C[N@@H+](C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CCCCO1
185088105	ZINC000096074581	high	3.36	-4.68	0	275.396	1.687	0	4	2	Cc1cccc(CN2CCC3(CC2)COCCN3C)n1
342078647	ZINC000625295545	mid	7.93	-39.14	1	272.352	1.467	2	3	2	Cc1cc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c2nccn2c1
343993849	ZINC000599270304	high	2.81	-12.4	0	252.358	1.542	1	4	6	CN(C[C@@H](O)CC1(C#N)CC1)C[C@@H]1CCCCO1
343993854	ZINC000599269492	ref	1.6	-14.39	0	290.367	1.96	1	6	5	Cc1nc([C@H]2CCCCN2C[C@@H](O)CC2(C#N)CC2)no1
342078648	ZINC000625295545	mid	5.56	-11.47	0	272.352	1.467	1	4	2	Cc1cc(C(=O)N[C@@H]2CCCN(C)C2)c2nccn2c1
342078649	ZINC000625295753	ref	4.48	-42.07	1	250.342	1.928	1	3	6	C[C@H]([NH2+]CCOC1CCOCC1)c1cccnc1
342078650	ZINC000625295753	high	3.29	-6.32	0	250.342	1.928	1	4	6	C[C@H](NCCOC1CCOCC1)c1cccnc1
343993857	ZINC000599269492	low	3.7	-36.08	1	290.367	1.96	2	5	5	Cc1nc([C@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CC2)no1
365633808	ZINC000565363086	mid	6.06	-52.93	1	289.383	1.297	2	5	5	C[N@@H+](CC[C@H]1CCCO1)C[C@H]1CNc2c(C#N)cnn2C1
214184644	ZINC000337620608	ref	6.43	-6.05	0	282.334	3.481	2	1	5	CC(C)[C@H](NC(=O)NC1(C(F)F)CC1)c1ccccc1
187169512	ZINC000125095716	ref	0.81	-10.11	0	280.324	1.294	3	4	5	COC(=O)NC(C)(C)C(=O)Nc1ccc(CCO)cc1
214184648	ZINC000337620896	ref	1.78	-6.87	0	274.43	0.901	1	4	5	CSCC(C)(C)C(=O)N1CCN(CCO)[C@@H](C)C1
365633748	ZINC000641600898	ref	5.03	-7.76	0	285.351	1.278	1	5	5	CN(C)c1ccccc1CN(C)c1cc(C(N)=O)ncn1
187169513	ZINC000125093668	ref	7.61	-38.36	1	250.342	1.97	1	2	5	CC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1
214184651	ZINC000337620896	mid	3.9	-40.35	1	274.43	0.901	2	3	5	CSCC(C)(C)C(=O)N1CC[N@H+](CCO)[C@@H](C)C1
187169514	ZINC000125093668	mid	7.68	-38.85	1	250.342	1.97	1	2	5	CC[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1
214184654	ZINC000337620896	mid	4.05	-41.06	1	274.43	0.901	2	3	5	CSCC(C)(C)C(=O)N1CC[N@@H+](CCO)[C@@H](C)C1
365633758	ZINC000641600889	ref	5.87	-11.22	0	289.383	1.774	1	6	7	CCOCC(C)(C)CNc1ccc(-c2ccnn2C)nn1
214184657	ZINC000337622961	ref	4.82	-12.09	0	286.213	2.084	2	4	3	COc1ncccc1C(=O)Nc1nc(C(F)(F)F)c[nH]1
214184659	ZINC000337622961	mid	4.75	-11.42	0	286.213	2.084	2	4	3	COc1ncccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1
187169515	ZINC000125093668	high	5.29	-11.24	0	250.342	1.97	0	3	5	CC[C@@H]1CCN(CC(=O)N(C)Cc2ccco2)C1
398248685	ZINC000644905887	ref	6.94	-10.08	0	244.338	2.347	1	2	5	C[C@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)c1ccncc1
187169516	ZINC000125097873	ref	1.2	-21.07	0	283.234	0.891	3	3	2	O=C1CC[C@@H](NC(=O)Nc2c(F)cccc2F)C(=O)N1
282122329	ZINC000129182239	ref	8.24	-37.92	1	293.411	2.44	1	4	8	CCC(CC)(C[NH2+][C@H](c1nccn1C)C1CC1)C(=O)OC
342595432	ZINC000616965907	ref	3.24	-18.02	0	274.32	1.094	2	3	5	O=C(N[C@@H]1CCNC1=O)c1ccc(OCC2CC2)cc1
323004511	ZINC000150981908	ref	9.09	-14.89	0	236.319	1.97	1	4	3	C[C@@H]1CCC[C@H](CC(=O)Nc2ncnn2C)C1
214184666	ZINC000337621931	ref	4.67	-9.61	0	297.358	2.259	2	3	4	O=C(N[C@@H]1CCOC1)N[C@H](c1ccccc1)c1ccccn1
214184671	ZINC000337623720	ref	4.12	-16.5	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC(=O)[C@H](C)C1
214184674	ZINC000337620713	ref	7.14	-8.09	0	273.38	2.34	1	3	5	CC[C@H]1CCCN1C(=O)c1ccc(NCC2CC2)nc1
128584712	ZINC000336810558	ref	3.41	-10.59	0	281.318	2.632	2	2	4	CC(C)(O)CCNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1
230236380	ZINC000354968609	low	2.01	-49.75	1	290.385	-0.599	2	4	4	CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCCS2(=O)=O)C1
342595433	ZINC000616967465	ref	2.64	-21.94	0	271.32	1.024	3	2	3	Cc1[nH]c2ccccc2c1CC(=O)N[C@@H]1CCNC1=O
398248687	ZINC000651459440	ref	7.81	-9.05	0	294.439	3.308	1	2	3	CCN(C(=O)NC1CC2(CCC2)C1)[C@H]1CCOC(C)(C)C1
398248692	ZINC000651459726	ref	7.52	-10.63	0	272.339	3.148	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCCC[C@@H]1C(F)F
398248693	ZINC000651459968	ref	7.78	-7.49	0	250.386	3.005	1	1	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)[C@H](C)[C@H]1C
178301237	ZINC000211871240	ref	8.13	-48.64	-1	232.283	2.207	0	4	3	Cc1cc2nc(CCC(=O)[O-])n(C)c2cc1C
365633749	ZINC000623066270	ref	7.59	-42.45	1	303.41	1.154	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1
185088106	ZINC000096072144	ref	6.3	-8.8	0	283.375	2.558	1	3	3	c1ccc([C@H]2CO[C@@]3(CCN(Cc4c[nH]cn4)C3)C2)cc1
185088107	ZINC000096072144	mid	8.7	-37.49	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@@]3(CC[N@@H+](Cc4c[nH]cn4)C3)C2)cc1
178301242	ZINC000211871240	low	8.57	-38.86	0	232.283	2.207	0	3	3	Cc1cc2[nH+]c(CCC(=O)[O-])n(C)c2cc1C
178301245	ZINC000048356692	ref	7.23	-7.75	0	200.285	3.447	1	1	1	Cc1cc2nc(C3CCC3)[nH]c2cc1C
178301249	ZINC000048356692	low	7.64	-24.67	1	200.285	3.447	1	0	1	Cc1cc2[nH]c(C3CCC3)[nH+]c2cc1C
185088108	ZINC000096072144	mid	8.78	-37.25	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@@]3(CC[N@H+](Cc4c[nH]cn4)C3)C2)cc1
398248696	ZINC000651459664	ref	5.9	-7.68	0	291.395	3.158	2	3	3	Cc1noc(C)c1C(C)(C)NC(=O)NC1CC2(CCC2)C1
185088109	ZINC000096072144	mid	8.67	-43.36	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cc1
185088110	ZINC000096072144	mid	8.73	-43.15	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cc1
214184647	ZINC000293572295	ref	3.72	-8.35	0	351.407	0.086	1	7	3	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@H](C)N(C)[C@H](C)C1
398248701	ZINC000651460724	ref	8.14	-7.35	0	262.397	3.151	1	1	1	O=C(NC1CC2(CCC2)C1)N1C[C@H]2CCCC[C@H]2C1
185088111	ZINC000096072144	high	6.26	-7.46	0	283.375	2.558	1	3	3	c1ccc([C@H]2CO[C@@]3(CCN(Cc4cnc[nH]4)C3)C2)cc1
398248703	ZINC000651460130	ref	8.49	-7.79	0	262.397	3.151	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC[C@@H](C2CCC2)C1
299072180	ZINC000459275573	ref	8.59	-9.74	0	310.438	2.94	1	3	5	CCC[C@H](NC(=O)N1CCC[C@@H](C(=O)OC)C1)C1CCCC1
398248707	ZINC000651459503	ref	6.25	-5.89	0	252.402	3.443	2	1	2	CC(C)(C)C(C)(C)NC(=O)NC1CC2(CCC2)C1
178301269	ZINC000061828758	ref	8.23	-51.55	-1	246.31	2.833	1	3	4	Cc1cc2nc(C[C@@H](C)CC(=O)[O-])[nH]c2cc1C
178301278	ZINC000061828758	low	8.14	-49.46	0	246.31	2.833	1	2	4	Cc1cc2[nH]c(C[C@@H](C)CC(=O)[O-])[nH+]c2cc1C
365633750	ZINC000617415945	mid	5.49	-49.64	1	288.351	0.952	3	3	3	C[N@H+]1CCC[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1
185088113	ZINC000096072318	ref	1.72	-19.83	0	286.328	-0.845	1	5	5	CNC(=O)CO[C@H]1CO[C@@]2(CCN(C(=O)COC)C2)C1
365633757	ZINC000617415945	high	3.13	-17.54	0	288.351	0.952	2	4	3	CN1CCC[C@@H](NC(=O)Cn2c(=O)[nH]c3ccccc32)C1
282122333	ZINC000344235267	high	3.99	-13.89	0	306.414	0.683	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCN(C)[C@H]1C)CC2
282122343	ZINC000237829730	ref	3.27	-48.37	1	277.372	0.535	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)CC2
342595434	ZINC000616967485	ref	1.27	-16.65	0	267.354	1.193	2	4	3	Cc1nc(C(C)C)sc1C(=O)N[C@@H]1CCNC1=O
197592572	ZINC000290091406	ref	7.7	-48.13	1	299.378	1.272	2	4	5	CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(-n2cncn2)cc1
187169517	ZINC000125097999	ref	6.59	-36.69	1	257.736	3.136	1	1	4	C[C@@H]([NH2+]Cc1cccc(Cl)c1F)[C@@H]1CCCO1
136229174	ZINC000292803232	high	4.13	-3.79	0	237.343	2.327	1	3	8	C=CCN(CCc1ccco1)C[C@H](O)C(C)C
342595435	ZINC000616967473	ref	4.66	-18.03	0	296.411	1.468	2	3	5	CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)N[C@@H]1CCNC1=O
185088117	ZINC000096072176	ref	6.57	-33.41	1	265.328	2.205	1	2	3	CO[C@H]1CO[C@]2(CC[N@H+](Cc3ccccc3F)C2)C1
185088118	ZINC000096072176	mid	6.44	-33.74	1	265.328	2.205	1	2	3	CO[C@H]1CO[C@]2(CC[N@@H+](Cc3ccccc3F)C2)C1
185088119	ZINC000096072176	mid	3.96	-5.16	0	265.328	2.205	0	3	3	CO[C@H]1CO[C@]2(CCN(Cc3ccccc3F)C2)C1
282122357	ZINC000237829690	ref	4.04	-47.24	1	263.345	0.16	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)CC2
185088121	ZINC000096073306	ref	9.96	-34.89	1	259.393	3.12	1	1	3	C[C@H]1CO[C@]2(CCC[N@H+](CCc3ccccc3)C2)C1
187169518	ZINC000125097999	high	5.38	-5.74	0	257.736	3.136	1	2	4	C[C@@H](NCc1cccc(Cl)c1F)[C@@H]1CCCO1
185088122	ZINC000096073306	mid	9.79	-38.28	1	259.393	3.12	1	1	3	C[C@H]1CO[C@]2(CCC[N@@H+](CCc3ccccc3)C2)C1
187169519	ZINC000125099619	ref	4.81	-10.95	0	292.379	3.022	2	3	6	CCCOc1ccc(NC(=O)N[C@H](C)[C@H]2CCOC2)cc1
136229175	ZINC000184916262	ref	5.72	-6.02	0	221.325	2.414	1	2	4	C#CCC(C)(C)C(=O)NCc1cccs1
187169520	ZINC000125096295	ref	8.28	-44.63	1	283.303	1.883	1	4	4	COc1cc(N2CC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F
342595436	ZINC000194442994	ref	0.79	-14.93	0	251.33	1.004	3	3	7	Cc1ccc(CCNC(=O)NCCCCO)cn1
342595437	ZINC000616967475	ref	4.17	-19.64	0	296.411	1.468	2	3	5	CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)N[C@@H]1CCNC1=O
214184652	ZINC000293572295	mid	5.52	-40.04	1	351.407	0.086	2	6	3	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@H](C)[N@H+](C)[C@H](C)C1
187169521	ZINC000125101161	ref	1.16	-14.82	0	287.319	2.492	1	5	6	COCCC1(C(=O)Nc2ccc(-c3nnco3)cc2)CC1
214184656	ZINC000293572295	mid	5.91	-39.7	1	351.407	0.086	2	6	3	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@H](C)[N@@H+](C)[C@H](C)C1
214184660	ZINC000293577408	ref	3.7	-23.21	0	365.455	0.494	0	5	4	CN1C(=O)C[C@H](C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)[C@@H]1c1cccnc1
214184665	ZINC000293577411	ref	3.69	-21.7	0	365.455	0.494	0	5	4	CN1C(=O)C[C@H](C(=O)N2CC[C@H](CS(C)(=O)=O)C2)[C@@H]1c1cccnc1
187169522	ZINC000125100413	ref	7.47	-37.03	1	294.37	2.066	1	2	4	CC[C@@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)[NH+](C)C
214184669	ZINC000293573660	ref	2.73	-17.19	0	350.326	0.324	1	7	3	Cn1cc(S(=O)(=O)N[C@H]2CCc3ncnn3C2)c(C(F)(F)F)n1
349534647	ZINC000618813761	ref	6.31	-10.89	0	256.309	1.113	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@H]1Cc2ccccc21
214184673	ZINC000293573660	mid	2.42	-43.39	-1	350.326	0.324	0	7	3	Cn1cc(S(=O)(=O)[N-][C@H]2CCc3ncnn3C2)c(C(F)(F)F)n1
214184677	ZINC000293579047	ref	3.62	-12.11	0	353.35	0.778	1	6	6	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2cccnc2OCC)C1
185088123	ZINC000096072644	ref	5.51	-11.78	0	297.362	1.722	1	6	3	c1cncc(N[C@H]2CO[C@@]3(CCN(c4ccncn4)C3)C2)c1
214184684	ZINC000293582308	ref	4.27	-16.08	0	350.419	0.094	1	6	5	COC(=O)c1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)n1C
214184688	ZINC000293582308	mid	6.42	-50.96	1	350.419	0.094	2	5	5	COC(=O)c1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)n1C
342595438	ZINC000616965790	ref	3.52	-15.94	0	292.335	1.967	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)sc2ccc(F)cc12
214184693	ZINC000293583708	ref	3.39	-11.83	0	350.415	0.986	2	5	8	CCN(CCOCCO)C(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1
214184701	ZINC000293571564	ref	-0.42	-17.86	0	352.366	0.14	4	4	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C(N)=O)ccc1F)C(C)C
187169523	ZINC000125100413	high	5.1	-11.41	0	294.37	2.066	0	3	4	CC[C@@H](C(=O)N1CCO[C@H](c2ccccc2F)C1)N(C)C
349534652	ZINC000618813245	ref	6.0	-12.47	0	262.288	1.155	0	4	4	CN(Cc1cn(C)nn1)C(=O)Cc1ccc(F)cc1
214184714	ZINC000293583281	ref	5.28	-45.97	1	366.462	0.798	1	6	8	CCCc1nc(C)c(C(=O)N(CCN2CC[NH+](C)CC2)CC(=O)OC)o1
282122335	ZINC000356113575	ref	4.13	-40.58	1	254.33	0.122	1	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C2=CCOCC2)CCO1
365633761	ZINC000623066197	ref	2.62	-51.68	1	312.345	1.949	2	4	4	C[C@H]([NH3+])[C@@H](C)NC(=O)c1nnc(-c2c(F)cccc2F)s1
178301225	ZINC000237193270	mid	6.73	-101.08	2	358.486	1.603	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C3([NH3+])CCCCC3)cc2)CC1
365633771	ZINC000623066266	ref	4.48	-44.64	1	321.425	1.383	2	4	5	COCCn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1
178301229	ZINC000237193270	high	4.44	-16.28	0	358.486	1.603	2	4	4	CN1CCN(C(=O)Cc2ccc(NC(=O)C3(N)CCCCC3)cc2)CC1
365633782	ZINC000623065492	ref	1.97	-55.99	1	318.402	1.512	4	4	4	O=C(NC[C@H]1C[NH2+]C[C@@H]1O)Nc1ncc(-c2ccccc2)s1
178301231	ZINC000237190341	ref	4.48	-48.25	1	355.416	1.507	1	5	5	COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365633793	ZINC000623065692	ref	7.19	-47.74	1	303.41	1.298	1	4	2	Cn1nc(C2CC2)nc1C(=O)N1CCC2(CC[NH2+]CC2)CC1
178301236	ZINC000237193237	ref	3.93	-56.09	1	360.52	1.064	1	4	8	COCCCN(C(=O)C[C@@H](C)C1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1
178301239	ZINC000237197122	ref	4.26	-47.14	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1
214184653	ZINC000053484732	ref	4.02	-19.4	0	329.425	2.103	2	4	5	NC(=O)c1csc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)c1
178301241	ZINC000237197122	mid	6.6	-92.51	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1
178301244	ZINC000237198033	ref	5.43	-40.62	1	358.486	1.331	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)CC1
365633804	ZINC000623065347	ref	4.1	-53.76	1	308.407	1.228	2	4	1	O=C(Nc1nc2c(s1)CCCC2)N1CCOC2(C[NH2+]C2)C1
178301248	ZINC000237198033	mid	7.78	-86.84	2	358.486	1.331	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCC[NH2+]C3)c2)CC1
365633812	ZINC000623065347	high	2.38	-14.74	0	308.407	1.228	2	5	1	O=C(Nc1nc2c(s1)CCCC2)N1CCOC2(CNC2)C1
365633819	ZINC000623065527	ref	1.93	-57.99	1	311.407	1.21	3	3	3	C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1
178301250	ZINC000237180368	ref	6.29	-67.25	0	351.428	1.304	1	6	7	CN(C)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1
178301254	ZINC000237180368	mid	6.29	-67.25	0	351.428	1.304	2	5	7	Cn1cc(S(=O)(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cc1C(=O)[O-]
214184662	ZINC000053491567	ref	7.32	-23.23	0	337.395	1.858	1	3	8	CN(CCOc1ccccc1F)C(=O)NCCCN1CCCC1=O
187169524	ZINC000125094621	ref	7.69	-40.23	1	289.423	2.723	3	2	6	CCCCNc1ccccc1C(=O)NC1CC[NH+](C)CC1
187169525	ZINC000125094621	high	5.3	-6.63	0	289.423	2.723	2	3	6	CCCCNc1ccccc1C(=O)NC1CCN(C)CC1
185088124	ZINC000096072921	ref	0.97	-17.97	0	277.324	0.246	2	5	3	O=C(CO)N1CC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1
282122336	ZINC000129182239	high	7.28	-7.57	0	293.411	2.44	1	5	8	CCC(CC)(CN[C@H](c1nccn1C)C1CC1)C(=O)OC
214184667	ZINC000053492931	ref	4.6	-13.87	0	339.461	1.63	1	3	2	CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
398248689	ZINC000337247745	ref	9.03	-55.01	1	248.395	3.1	1	2	7	CCSCCC[NH2+]Cc1ccc(C#N)c(C)c1
185088125	ZINC000096072204	ref	1.34	-5.09	0	254.355	1.523	0	5	3	CO[C@H]1CO[C@]2(CCN(Cc3nccs3)C2)C1
282122342	ZINC000423035140	ref	6.9	-108.85	2	270.417	1.943	2	2	6	CCC(CC)(C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C)C(=O)OC
185088126	ZINC000096072204	mid	3.67	-33.93	1	254.355	1.523	1	4	3	CO[C@H]1CO[C@]2(CC[N@H+](Cc3nccs3)C2)C1
185088127	ZINC000096072204	mid	3.83	-34.26	1	254.355	1.523	1	4	3	CO[C@H]1CO[C@]2(CC[N@@H+](Cc3nccs3)C2)C1
282122344	ZINC000423035140	high	5.64	-40.3	1	270.417	1.943	2	3	6	CCC(CC)(C[NH2+][C@H]1CCNCC[C@@H]1C)C(=O)OC
398248695	ZINC000076865055	ref	4.88	-42.36	1	233.34	2.445	1	3	4	Cc1nc(C)c(C[NH2+]Cc2ccccn2)s1
178301226	ZINC000082796498	ref	5.63	-48.98	1	253.305	1.907	2	2	2	O=C(Nc1ccccn1)[C@@H]1C[NH2+]Cc2ccccc21
185088129	ZINC000096072915	ref	2.4	-36.22	1	264.325	0.686	2	4	4	OCC[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
282122350	ZINC000423035140	high	6.26	-40.79	1	270.417	1.943	2	3	6	CCC(CC)(CN[C@H]1CC[NH2+]CC[C@@H]1C)C(=O)OC
185088130	ZINC000096072915	mid	2.15	-37.07	1	264.325	0.686	2	4	4	OCC[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
185088131	ZINC000096072915	high	-0.38	-7.6	0	264.325	0.686	1	5	4	OCCN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
342595439	ZINC000616965321	ref	1.14	-26.26	0	294.261	1.119	3	3	3	O=C(N[C@H]1CCNC1=O)c1ccc2[nH]c(C(F)F)nc2c1
342595440	ZINC000616965810	ref	3.48	-15.8	0	252.358	1.598	2	2	4	C[C@H](CC(=O)N[C@@H]1CCNC1=O)C1CCCCC1
282122356	ZINC000263105076	ref	9.12	-34.02	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@H]1CC(C)(C)C[C@H]1C)C(=O)[O-]
185088132	ZINC000096072922	ref	0.98	-18.7	0	277.324	0.246	2	5	3	O=C(CO)N1CC[C@]2(C[C@@H](Nc3cccnc3)CO2)C1
342595441	ZINC000194442007	ref	3.85	-10.37	0	293.396	1.453	0	7	6	Cn1nnc(CN(Cc2cccs2)C[C@@H]2CCCO2)n1
342595442	ZINC000616965829	ref	4.46	-18.62	0	289.379	1.541	2	3	6	CCCN(CC)c1ccc(C(=O)N[C@H]2CCNC2=O)cc1
187169528	ZINC000125093712	ref	1.03	-44.63	1	295.383	0.546	5	3	7	C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1cccc(O)c1
187169529	ZINC000125099917	ref	7.65	-39.39	1	290.407	2.604	2	2	6	CC[C@@H]1CC[N@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1
342595443	ZINC000590777188	ref	2.82	-14.39	0	260.337	1.499	1	4	5	Cc1cc(C)cc(OC[C@H](O)CN2CC(C#N)C2)c1
282122337	ZINC000449152842	ref	6.01	-10.11	0	276.405	2.209	2	3	4	O=C(Cc1ccc2c(c1)NCC2)NC[C@@H]1CCCS1
342595444	ZINC000590777173	ref	2.54	-13.87	0	280.755	1.673	1	4	6	N#CC1CN(C[C@H](O)COCc2ccc(Cl)cc2)C1
295666266	ZINC000412987476	ref	7.92	-9.18	0	304.419	2.761	0	6	5	Cc1ccc(CSc2nnnn2C[C@@H]2CCCO2)c(C)c1
342595445	ZINC000590777223	ref	1.74	-16.29	0	274.367	1.464	0	6	6	Cc1nc(S(=O)(=O)CCOCCC#N)sc1C
342595446	ZINC000616965320	ref	1.14	-26.0	0	294.261	1.119	3	3	3	O=C(N[C@@H]1CCNC1=O)c1ccc2[nH]c(C(F)F)nc2c1
295666269	ZINC000412987569	ref	8.81	-12.94	0	322.792	2.983	0	5	5	O=c1c2ccc(Cl)cc2ncn1CCCO[C@H]1CCCCO1
365633765	ZINC000617424605	ref	3.73	-21.68	0	298.306	0.604	2	6	2	C[C@H]1C[C@@H](NC(=O)c2ccnc3c2CC(=O)N3)c2ncnn21
342595447	ZINC000616966022	ref	5.15	-17.86	0	282.343	1.777	2	2	4	O=C(CCc1ccc2ccccc2c1)N[C@@H]1CCNC1=O
365633776	ZINC000617415934	ref	6.68	-44.06	1	281.4	0.989	2	2	3	C[N@@H+]1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1
365633783	ZINC000617415934	mid	7.21	-46.48	1	281.4	0.989	2	2	3	C[N@H+]1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1
365633792	ZINC000617415934	high	4.32	-13.58	0	281.4	0.989	1	3	3	CN1CCC[C@H](NC(=O)CN2CCCCCCC2=O)C1
342595448	ZINC000194434326	ref	5.6	-14.76	0	258.237	1.946	1	5	3	Cc1cc(C(=O)Nc2cnccn2)ccc1[N+](=O)[O-]
365633800	ZINC000617416879	ref	-1.08	-11.04	0	283.372	0.658	4	3	8	C=CCCC1(CNC(=O)[C@@H](CO)NC(N)=O)CCCC1
342595449	ZINC000616965839	ref	2.47	-20.02	0	290.216	1.463	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(F)c(C(F)(F)F)c1
187169530	ZINC000125099917	mid	7.72	-39.83	1	290.407	2.604	2	2	6	CC[C@@H]1CC[N@@H+](CC(=O)N[C@@H](C)c2ccccc2OC)C1
197592597	ZINC000162801933	ref	3.29	-10.63	0	322.405	2.019	2	4	5	COc1ccc(O[C@@H](C)CNC(=O)N2CCC[C@@](C)(O)C2)cc1
346818818	ZINC000611564942	ref	9.29	-37.76	1	273.296	1.29	1	5	2	C[NH+]1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1
349535956	ZINC000621501004	ref	7.71	-8.91	0	272.339	3.006	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CCC[C@@H]1C1CCC1
282122341	ZINC000449153346	ref	7.11	-47.36	1	252.402	2.41	1	1	3	CC(C)N1C[C@@H]([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)CC1=O
365633770	ZINC000641601647	ref	4.82	-9.22	0	276.365	1.991	1	6	6	COCc1nc(CNc2cc(C3CC3)ncn2)cs1
365633785	ZINC000641601304	ref	5.39	-11.96	0	265.378	1.972	1	3	4	Cc1ccc(CCCC(=O)N2C[C@H]3C[C@@]3(O)C2)s1
365633796	ZINC000641601435	ref	3.29	-11.83	0	297.367	1.766	1	3	7	COC1CC(CCNS(=O)(=O)C[C@@]2(C)CC2(F)F)C1
365633810	ZINC000641601989	ref	6.52	-48.61	1	289.383	1.685	3	4	7	CCCC[N@H+](C)C[C@@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365633815	ZINC000641601989	mid	6.57	-48.65	1	289.383	1.685	3	4	7	CCCC[N@@H+](C)C[C@@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365633820	ZINC000641601019	ref	2.23	-10.8	0	261.329	1.974	0	6	3	CCC(C)(C)c1nnc(N2CCn3cncc3C2)o1
365633833	ZINC000641601019	low	2.75	-39.76	1	261.329	1.974	0	5	3	CCC(C)(C)c1nnc(N2CCn3c[nH+]cc3C2)o1
295666270	ZINC000412988022	ref	6.89	-14.4	0	316.308	2.658	0	6	5	CC(=O)[C@H](Sc1nnnn1CC(F)(F)F)c1ccccc1
178301227	ZINC000082796498	high	4.69	-13.73	0	253.305	1.907	2	3	2	O=C(Nc1ccccn1)[C@@H]1CNCc2ccccc21
342595450	ZINC000590777267	ref	4.32	-18.93	0	296.348	1.582	0	6	5	COC(=O)c1cccnc1S(=O)(=O)CCC(C)(C)C#N
342595451	ZINC000590777213	ref	1.77	-14.09	0	250.273	1.021	1	4	5	N#CC1CN(C[C@@H](O)COc2ccc(F)cc2)C1
197592589	ZINC000290091300	ref	-0.29	-23.88	0	271.338	0.269	2	4	5	C[C@@H](NC(=O)CS(C)(=O)=O)[C@@H](O)c1ccccc1
365633843	ZINC000641600987	ref	3.01	-7.35	0	288.351	1.113	1	5	3	NC(=O)c1cc(N2CC3(CCC3)[C@H]2[C@@H]2CCCO2)ncn1
398248698	ZINC000076865055	mid	3.5	-6.7	0	233.34	2.445	1	4	4	Cc1nc(C)c(CNCc2ccccn2)s1
365633854	ZINC000641601434	ref	3.28	-11.58	0	297.367	1.766	1	3	7	COC1CC(CCNS(=O)(=O)C[C@]2(C)CC2(F)F)C1
185088134	ZINC000096073089	ref	6.56	-36.52	1	291.395	1.96	2	3	5	c1cc(C[NH+]2CCC3(CC2)C[C@@H](OCC2CC2)CO3)n[nH]1
365633858	ZINC000641601305	ref	5.39	-11.83	0	265.378	1.972	1	3	4	Cc1ccc(CCCC(=O)N2C[C@@H]3C[C@]3(O)C2)s1
365633866	ZINC000641601325	ref	1.18	-8.24	0	252.318	1.05	2	5	7	CCOCC(C)(C)CNc1nccnc1C(N)=O
398248700	ZINC000076865092	ref	5.55	-46.96	1	247.367	3.006	1	3	4	Cc1nc(C)c(C[NH2+][C@@H](C)c2ccncc2)s1
185088135	ZINC000096073089	mid	4.32	-8.16	0	291.395	1.96	1	4	5	c1cc(CN2CCC3(CC2)C[C@@H](OCC2CC2)CO3)n[nH]1
342595452	ZINC000590777197	ref	3.74	-12.02	0	274.364	1.807	1	4	5	Cc1ccc(C)c(OC[C@H](O)CN2CC(C#N)C2)c1C
342595453	ZINC000590777214	ref	1.62	-14.08	0	250.273	1.021	1	4	5	N#CC1CN(C[C@H](O)COc2ccc(F)cc2)C1
342595454	ZINC000590777180	ref	2.07	-13.52	0	266.728	1.535	1	4	5	N#CC1CN(C[C@H](O)COc2ccc(Cl)cc2)C1
282122338	ZINC000248970385	mid	8.78	-48.6	0	305.378	1.904	2	4	5	CC[C@@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1
342078651	ZINC000618606974	ref	3.48	-9.65	0	262.3	1.454	2	2	7	CCCNC(=O)CCC(=O)NC[C@@]1(C)CC1(F)F
342078652	ZINC000625294743	ref	5.25	-40.0	1	292.383	1.017	2	4	5	C[N@H+](CCNC(=O)c1cn2c(n1)COCC2)C1CCCC1
342078653	ZINC000625294743	mid	5.26	-39.95	1	292.383	1.017	2	4	5	C[N@@H+](CCNC(=O)c1cn2c(n1)COCC2)C1CCCC1
185088137	ZINC000096074486	ref	0.94	-8.22	0	274.324	0.548	1	5	3	CNC(=O)C1=NO[C@]2(CCN(Cc3cccnc3)C2)C1
342078654	ZINC000608853624	ref	2.83	-14.51	0	265.338	1.611	1	4	5	CC(C)N(CCC#N)C(=O)c1ccc(C(N)=O)s1
342078655	ZINC000077829535	ref	1.44	-9.81	0	269.345	1.813	3	4	6	CC[C@H](CCO)NC(=O)N[C@H](C)c1c(C)noc1C
342078656	ZINC000625294796	ref	6.66	-47.82	1	278.4	1.816	2	3	6	CCn1cc(C(=O)NCC[N@H+](C)C2CCCC2)c(C)n1
178301243	ZINC000082798509	ref	2.54	-44.88	1	251.392	1.214	1	3	9	CCC[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)CCOC
185088138	ZINC000096074486	low	3.36	-45.57	1	274.324	0.548	2	4	3	CNC(=O)C1=NO[C@]2(CC[N@H+](Cc3cccnc3)C2)C1
185088139	ZINC000096074486	low	3.39	-45.07	1	274.324	0.548	2	4	3	CNC(=O)C1=NO[C@]2(CC[N@@H+](Cc3cccnc3)C2)C1
185088140	ZINC000096072149	ref	5.09	-7.38	0	283.375	2.558	1	3	3	c1ccc([C@@H]2CO[C@@]3(CCN(Cc4cc[nH]n4)C3)C2)cc1
342078657	ZINC000625294796	mid	6.65	-47.92	1	278.4	1.816	2	3	6	CCn1cc(C(=O)NCC[N@@H+](C)C2CCCC2)c(C)n1
185088141	ZINC000096072149	mid	7.52	-36.63	1	283.375	2.558	2	2	3	c1ccc([C@@H]2CO[C@@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2)cc1
185088142	ZINC000096072149	mid	7.56	-36.28	1	283.375	2.558	2	2	3	c1ccc([C@@H]2CO[C@@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2)cc1
282122340	ZINC000248970772	ref	0.35	-10.37	0	310.398	1.888	3	5	4	C[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)c1nc(C(C)(C)C)no1
342078658	ZINC000625296162	ref	1.81	-15.02	0	281.337	1.035	2	4	6	COCc1ccc(S(=O)(=O)NCc2c[nH]cn2)cc1
342078659	ZINC000625296162	mid	1.77	-13.84	0	281.337	1.035	2	4	6	COCc1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1
342078660	ZINC000625296162	low	2.29	-43.82	1	281.337	1.035	2	3	6	COCc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1
342078661	ZINC000625296162	low	2.27	-43.79	1	281.337	1.035	2	3	6	COCc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1
342078662	ZINC000046492926	ref	6.03	-17.83	0	276.336	1.018	0	4	2	O=C(Cn1ccccc1=O)N1CCO[C@H]2CCCC[C@@H]21
342078663	ZINC000625295378	ref	0.18	-10.45	0	273.283	1.826	2	3	4	CC[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1
187169531	ZINC000125099917	high	5.33	-10.45	0	290.407	2.604	1	3	6	CC[C@@H]1CCN(CC(=O)N[C@@H](C)c2ccccc2OC)C1
214184676	ZINC000337622625	ref	4.77	-40.31	1	294.399	-0.543	1	3	4	CC[NH+]1CCN(CC(=O)N2CCN(C3CC3)C(=O)C2)CC1
178301257	ZINC000237182264	ref	6.73	-90.87	2	362.499	1.454	3	4	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSCN2)cc1)[C@@H]1CCC[N@H+](C)C1
259308257	ZINC000089150659	high	2.85	-42.26	1	248.37	1.307	3	2	6	[NH3+]C[C@H]1CCC[C@H]1N[C@H](CO)Cc1ccccc1
178301260	ZINC000237182264	mid	2.91	-12.05	0	362.499	1.454	3	4	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSCN2)cc1)[C@@H]1CCC[N@@H+](C)C1
187169532	ZINC000125093031	ref	2.88	-10.76	0	292.379	1.881	3	3	5	CN(CC1(O)CCCC1)C(=O)NCCc1cccc(O)c1
282122339	ZINC000151647232	ref	5.01	-12.87	0	321.417	2.058	2	4	7	CC[C@@H](Oc1ccccc1C)C(=O)NCC1(CO)CCOCC1
343993843	ZINC000625558982	ref	1.78	-8.06	0	218.322	0.739	1	2	4	C/C=C\CNS(=O)(=O)N1CC[C@@H](C)C1
187169533	ZINC000125095184	ref	6.94	-50.84	1	279.277	3.361	1	1	7	COCCCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
187169534	ZINC000125100311	ref	3.83	-12.89	0	277.368	2.453	3	3	4	Cc1cccc(NC(=O)NC[C@@H](O)C2CCCCC2)n1
214184681	ZINC000337622625	mid	2.36	-10.45	0	294.399	-0.543	0	4	4	CCN1CCN(CC(=O)N2CCN(C3CC3)C(=O)C2)CC1
197592594	ZINC000290093385	ref	4.18	-7.51	0	272.352	1.777	0	5	3	C[C@@H]1CO[C@@H](c2ccccc2)CN1Cc1cnn(C)n1
214184685	ZINC000337621852	ref	2.74	-21.68	0	255.281	0.831	3	4	3	OCc1cccc(CN=c2ncnc3[nH][nH]cc2-3)c1
214184689	ZINC000337621852	high	2.59	-36.95	-1	255.281	0.831	2	4	3	OCc1cccc(CN=c2ncnc3[nH][n-]cc2-3)c1
187169535	ZINC000125093277	ref	7.37	-6.97	0	290.363	1.581	1	4	6	COC(=O)C1(C(=O)NC[C@@H](C)N(C)c2ccccc2)CC1
342078664	ZINC000625295378	mid	2.4	-44.95	1	273.283	1.826	2	3	4	CC[N@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1
282122347	ZINC000151648925	ref	7.95	-18.36	0	320.355	2.436	0	2	6	CCC(=O)N1CC[C@@H](C(=O)N(CCC(F)(F)F)CC2CC2)C1
187169537	ZINC000125101790	ref	4.75	-39.56	1	297.33	2.283	3	3	5	CC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)OC)c1)[NH+](C)C
342078665	ZINC000625295378	mid	0.18	-10.45	0	273.283	1.826	1	4	4	CCN1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1
342078666	ZINC000623838470	ref	1.96	-37.96	1	264.369	1.16	2	3	6	COc1cc(C)ccc1C[NH2+]CCN1CC[C@H](O)C1
342078667	ZINC000623838470	high	0.58	-5.6	0	264.369	1.16	2	4	6	COc1cc(C)ccc1CNCCN1CC[C@H](O)C1
342078668	ZINC000625295947	ref	5.79	-48.91	1	272.352	1.645	1	4	6	COc1ccc(C2([NH2+]CCc3cn(C)nn3)CC2)cc1
349534648	ZINC000093284920	ref	4.42	-15.62	0	289.339	0.866	2	5	6	COc1ccccc1CCNC(=O)NCc1ncn(C)n1
349534655	ZINC000093262220	ref	4.64	-46.53	1	295.387	0.679	3	4	4	C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@H]1O
349534658	ZINC000093262220	high	2.17	-11.41	0	295.387	0.679	2	5	4	C[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1O
342078669	ZINC000625295947	high	4.76	-13.1	0	272.352	1.645	1	5	6	COc1ccc(C2(NCCc3cn(C)nn3)CC2)cc1
282122345	ZINC000248970340	ref	6.86	-40.8	1	310.438	1.657	0	4	3	CC[C@]1(C)CN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1
342078670	ZINC000608854146	ref	4.82	-15.01	0	278.308	1.201	1	4	5	COC(=O)[C@H](C)CN(C(=O)c1ccc[nH]c1=O)C1CC1
136229176	ZINC000184912156	ref	8.1	-12.41	0	243.306	3.021	1	2	5	CC#CCCCC(=O)Nc1ccccc1C(C)=O
136229177	ZINC000184906791	ref	6.1	-6.68	0	232.327	2.861	1	2	5	C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccccn1
185088146	ZINC000096072223	ref	4.68	-10.49	0	281.377	1.697	0	4	3	CO[C@@H]1CO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1
185088147	ZINC000096072422	ref	2.61	-41.6	1	254.355	1.489	1	4	3	Cc1nc(CO[C@H]2CO[C@@]3(CC[NH2+]C3)C2)cs1
349534663	ZINC000093286034	ref	3.77	-21.56	0	299.338	0.733	3	5	5	Cn1cnc(CNC(=O)NCCc2nc3ccccc3[nH]2)n1
342078671	ZINC000625296035	ref	4.15	-16.3	0	294.38	1.266	2	3	7	CCN(Cc1ccccc1)S(=O)(=O)NCc1c[nH]cn1
342078672	ZINC000625296035	mid	4.11	-14.97	0	294.38	1.266	2	3	7	CCN(Cc1ccccc1)S(=O)(=O)NCc1cnc[nH]1
185088148	ZINC000096075002	ref	4.67	-14.59	0	288.351	1.414	1	3	2	CN(C)C(=O)N1CC[C@]2(C[C@H]2C(=O)Nc2cccnc2)C1
185386247	ZINC000096752773	ref	2.13	-53.14	-1	311.334	1.108	2	6	9	COc1ccc([C@H](O)CCC(=O)NCCC(=O)[O-])c(OC)c1
342078673	ZINC000625296035	low	4.63	-46.06	1	294.38	1.266	2	2	7	CCN(Cc1ccccc1)S(=O)(=O)NCc1c[nH+]c[nH]1
185088150	ZINC000096073362	ref	10.44	-33.68	1	291.41	3.853	1	1	3	CC(C)[C@H]1CO[C@]2(CCC[N@H+](Cc3ccccc3F)C2)C1
349534669	ZINC000093284351	ref	3.95	-26.65	0	297.359	0.472	1	5	7	CCOCCN(C)C(=O)Nc1cnn(CC(=O)N(C)C)c1
199273012	ZINC000294964558	ref	3.78	-11.33	0	290.26	2.165	1	2	2	C[C@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC(=O)N1
349534675	ZINC000093283932	ref	0.69	-9.28	0	290.371	0.683	0	7	5	CCc1nc(CN2CCN(Cc3ccnn3C)CC2)no1
178301271	ZINC000082797133	ref	3.09	-8.61	0	256.4	2.301	1	6	6	CCN[C@@](C)(C#N)C[C@H](C)Sc1nncs1
136229178	ZINC000232469851	ref	4.74	-44.45	1	231.299	2.239	2	3	4	c1cc2occc2c(NCC[C@H]2CC[NH2+]C2)n1
365633777	ZINC000625069350	ref	6.24	-12.08	0	316.409	2.107	1	6	6	COCC1=CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC1
342595455	ZINC000194433616	ref	6.18	-14.54	0	275.304	1.633	1	4	4	COC(=O)C1(NC(=O)c2ccc(C)c(C(C)=O)c2)CC1
342595456	ZINC000616965948	ref	3.84	-16.88	0	289.36	1.216	2	4	4	O=C(N[C@H]1CCNC1=O)c1cccn1Cc1cccs1
365633784	ZINC000625067380	ref	6.64	-12.23	0	305.374	2.45	1	4	6	CCO[C@H](C(=O)N[C@H]1CCOc2c(OC)cccc21)C1CC1
365633791	ZINC000625067801	ref	4.76	-14.01	0	321.764	2.336	1	5	3	COc1cccc2c1OCC[C@H]2NC(=O)c1nn(C)cc1Cl
365639118	ZINC000354711942	ref	3.51	-41.01	1	295.387	1.234	2	4	4	COc1nn(C)cc1NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1
187169538	ZINC000125101790	mid	2.34	-7.34	0	297.33	2.283	2	4	5	CC[C@@H](C(=O)Nc1ccc(F)c(NC(=O)OC)c1)N(C)C
365639120	ZINC000354711942	mid	3.94	-40.21	1	295.387	1.234	2	4	4	COc1nn(C)cc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1
365639125	ZINC000354711942	high	1.26	-9.78	0	295.387	1.234	1	5	4	COc1nn(C)cc1NC(=O)N(C)C[C@H]1CCCN(C)C1
365639129	ZINC000354712626	ref	3.97	-15.65	0	289.379	1.979	2	3	4	CC(C)c1cccc(C(=O)N[C@H]2CCCC[C@H]2C(N)=O)n1
365639138	ZINC000354713614	ref	2.62	-12.91	0	287.307	1.397	1	3	7	CC[C@H](CC(F)(F)F)NS(=O)(=O)N(C)CCC#N
365639145	ZINC000354712815	ref	9.15	-101.64	2	288.439	1.995	1	3	2	Cc1ccnc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1
187169539	ZINC000125092038	ref	3.37	-8.09	0	287.41	2.307	2	5	5	COCc1csc(NC(=O)NC[C@@H]2CCCS2)n1
214184678	ZINC000053476912	ref	8.79	-13.86	0	344.455	3.437	1	3	2	CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H]2CCc3ccccc32)CC1
365639151	ZINC000354712815	mid	6.38	-33.24	1	288.439	1.995	1	3	2	Cc1ccnc(N2CC[N@H+](C3CCN(C)CC3)[C@@H](C)C2)c1
365639155	ZINC000354712815	mid	6.75	-34.06	1	288.439	1.995	1	3	2	Cc1ccnc(N2CC[N@@H+](C3CCN(C)CC3)[C@@H](C)C2)c1
365639158	ZINC000354712815	low	8.78	-102.1	2	288.439	1.995	2	2	2	Cc1ccnc(N2CC[N@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1
365639163	ZINC000354712815	low	9.15	-101.64	2	288.439	1.995	2	2	2	Cc1ccnc(N2CC[N@@H+](C3CC[NH+](C)CC3)[C@@H](C)C2)c1
187169540	ZINC000125091970	ref	3.83	-13.86	0	283.343	2.262	2	3	9	CC[C@@H](O)CCNC(=O)CCCOc1ccc(F)cc1
365639169	ZINC000354712528	ref	6.92	-18.34	0	287.363	1.855	1	4	6	Cc1cccc(O[C@H](C)C(=O)NCCc2ccn(C)n2)c1
342600517	ZINC000616999719	ref	3.21	-38.49	1	256.39	1.241	3	2	4	CC(C)(CO)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365633806	ZINC000354705376	ref	4.9	-22.75	0	281.352	1.866	1	2	4	O=C(C/C=C/c1cccc(F)c1)N[C@@H]1CC[S@@](=O)C1
178301262	ZINC000237182264	low	6.67	-90.89	2	362.499	1.454	3	3	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1
365633818	ZINC000354705846	ref	3.21	-9.15	0	251.33	1.302	2	3	5	CCN(C[C@H](C)O)C(=O)NCc1cncc(C)c1
214184679	ZINC000278485826	ref	5.59	-5.68	0	314.252	3.437	0	4	4	C[C@H](c1cccs1)N(C)Cc1c(Br)cnn1C
178301264	ZINC000237182264	low	6.73	-90.87	2	362.499	1.454	3	3	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1
178301268	ZINC000237182264	high	2.91	-12.05	0	362.499	1.454	2	5	4	CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)[C@H]3CSCN3)cc2)C1
214184682	ZINC000278485826	low	7.66	-33.72	1	314.252	3.437	1	3	4	C[C@H](c1cccs1)[N@H+](C)Cc1c(Br)cnn1C
178301272	ZINC000237190960	ref	6.35	-53.76	1	369.443	1.756	1	5	7	COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC([NH2+]CC2CC2)CC1
178301274	ZINC000237180964	ref	0.76	-9.64	0	359.22	1.071	2	5	5	COc1cc(Br)c(CNC(=O)[C@@H]2COCCN2)cc1OC
178301276	ZINC000237180964	mid	2.12	-41.2	1	359.22	1.071	2	4	5	COc1cc(Br)c(CNC(=O)[C@@H]2COCC[NH2+]2)cc1OC
365633826	ZINC000354705187	ref	-0.22	-14.33	0	290.327	1.351	3	5	3	COc1nn(C)cc1NC(=O)N[C@@H]1CCCc2c[nH]nc21
178301281	ZINC000237187908	ref	4.94	-50.84	1	368.499	1.563	1	4	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)C1
214184683	ZINC000278485826	low	7.82	-38.5	1	314.252	3.437	1	3	4	C[C@H](c1cccs1)[N@@H+](C)Cc1c(Br)cnn1C
178301284	ZINC000237182030	ref	3.94	-11.5	0	358.486	1.933	3	2	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1
178301289	ZINC000237182030	mid	7.72	-86.56	2	358.486	1.933	3	2	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1)[C@@H]1CCC[N@@H+](C)C1
178301291	ZINC000237182030	high	5.28	-47.55	1	358.486	1.933	2	3	4	CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1
342078674	ZINC000625296035	low	4.61	-46.17	1	294.38	1.266	2	2	7	CCN(Cc1ccccc1)S(=O)(=O)NCc1c[nH]c[nH+]1
136229179	ZINC000184912647	ref	4.64	-6.79	0	213.321	2.131	1	2	8	C=C(C)C[C@H](C)C(=O)NCCCOCC
214184691	ZINC000278485676	ref	6.5	-16.24	0	324.808	2.938	1	3	3	CN(C)C(=O)c1cc(NC(=O)[C@H]2CCC(C)(C)O2)ccc1Cl
259308259	ZINC000089150659	high	3.14	-32.24	1	248.37	1.307	3	2	6	NC[C@H]1CCC[C@H]1[NH2+][C@H](CO)Cc1ccccc1
136229180	ZINC000232465565	ref	4.81	-124.07	2	200.351	1.224	2	1	3	C1C[NH2+][C@H](C[NH2+]C2CCSCC2)C1
342595457	ZINC000616966084	ref	1.12	-17.62	0	267.354	1.059	2	4	2	CC(C)(C)c1ncc(C(=O)N[C@H]2CCNC2=O)s1
185088151	ZINC000096073362	mid	10.07	-34.23	1	291.41	3.853	1	1	3	CC(C)[C@H]1CO[C@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1
185088152	ZINC000096073362	mid	7.6	-4.19	0	291.41	3.853	0	2	3	CC(C)[C@H]1CO[C@]2(CCCN(Cc3ccccc3F)C2)C1
349534649	ZINC000621491218	ref	6.59	-9.53	0	294.37	3.02	1	2	3	COc1ccc(F)c(CNC(=O)N2C[C@H](C)[C@@H](C)[C@H]2C)c1
295666278	ZINC000334262311	ref	7.35	-6.65	0	255.383	2.1	0	3	3	CS[C@H]1CCCCN(C(=O)C2(C(C)=O)CC2)C1
282122346	ZINC000449152475	ref	6.1	-40.93	1	260.381	2.499	1	1	3	Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](C(C)C)C1
349534654	ZINC000621492572	ref	7.72	-13.22	0	298.308	3.327	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CC[C@H]1c1ccc(F)cc1
185088156	ZINC000096073644	ref	3.64	-12.16	0	273.336	1.607	0	5	3	N#CCN1CCC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1
185088157	ZINC000096072859	ref	6.5	-19.33	0	299.334	0.919	0	6	2	O=C(c1ccncc1)N1CC[C@@]2(C[C@@H](n3cnnc3)CO2)C1
185088158	ZINC000096073393	ref	6.53	-10.46	0	288.391	2.749	0	3	2	CC(C)[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1
342595458	ZINC000616966556	ref	4.83	-16.28	0	274.364	1.747	2	2	5	CC(C)c1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1
349534661	ZINC000621492096	ref	7.74	-10.14	0	272.339	3.029	1	1	5	C=CC[C@@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
187169541	ZINC000125099201	ref	5.09	-8.37	0	262.353	2.356	1	3	5	Cc1cncc(CNC(=O)CC[C@H]2CCCCO2)c1
185088161	ZINC000096074126	ref	7.93	-46.77	1	292.383	0.745	1	4	2	Cn1cnc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)CO3)c1
185088162	ZINC000096074126	high	5.51	-11.46	0	292.383	0.745	0	5	2	CN(C)[C@@H]1COC2(CCN(C(=O)c3cn(C)cn3)CC2)C1
185088163	ZINC000096073978	ref	6.81	-18.74	0	299.374	1.722	0	3	3	C=CCN1CC[C@]2(CCCN(C(=O)c3cccnc3)C2)C1=O
342595459	ZINC000616966269	ref	0.56	-17.78	0	297.742	1.14	2	4	4	CC(C)Oc1ncc(C(=O)N[C@H]2CCNC2=O)cc1Cl
190493557	ZINC000269423085	ref	2.59	-10.07	0	266.366	1.837	2	4	3	CSc1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccn1
282122348	ZINC000449152475	mid	5.7	-6.29	0	260.381	2.499	1	2	3	Cc1ccccc1[C@H](N)C(=O)N1CC[C@H](C(C)C)C1
342595460	ZINC000616966220	ref	5.02	-24.22	0	299.374	1.916	2	3	4	CC(C)Cn1cc(C(=O)N[C@@H]2CCNC2=O)c2ccccc21
342595461	ZINC000616966603	ref	3.66	-15.57	0	260.337	1.359	2	2	4	CC(C)(CC(=O)N[C@H]1CCNC1=O)c1ccccc1
342595462	ZINC000616966390	ref	2.44	-20.87	0	262.309	1.094	2	3	5	CCCOc1cccc(C(=O)N[C@H]2CCNC2=O)c1
398248702	ZINC000076865092	mid	4.45	-7.05	0	247.367	3.006	1	4	4	Cc1nc(C)c(CN[C@@H](C)c2ccncc2)s1
214184686	ZINC000053472012	ref	3.97	-22.38	0	340.383	2.15	4	3	5	C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(NC(=O)NC2CC2)cc1
187169542	ZINC000125093240	ref	6.92	-11.4	0	288.395	2.91	1	4	4	Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2)c(C)n1C(C)C
342595463	ZINC000616966389	ref	2.44	-20.87	0	262.309	1.094	2	3	5	CCCOc1cccc(C(=O)N[C@@H]2CCNC2=O)c1
178301273	ZINC000082797133	low	4.31	-51.3	1	256.4	2.301	1	5	6	CC[NH2+][C@@](C)(C#N)C[C@H](C)Sc1nncs1
187169543	ZINC000125096938	ref	4.48	-50.82	1	265.25	2.563	2	1	5	C[C@H](CO)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
398248705	ZINC000390784968	ref	3.64	-35.75	1	210.321	1.433	2	1	3	CCC1(NC(=O)[C@H]2[NH2+]CC2(C)C)CCC1
214184695	ZINC000053492584	ref	6.41	-14.64	0	329.444	2.533	2	2	3	C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)CCCC2
349534650	ZINC000594968767	ref	7.43	-44.71	1	294.351	2.651	1	4	8	CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H](OCC)C1
342595464	ZINC000616966179	ref	2.38	-16.24	0	252.339	1.49	2	3	3	CC(C)c1ccsc1C(=O)N[C@@H]1CCNC1=O
214184698	ZINC000053490436	ref	7.51	-14.36	0	348.512	3.189	1	3	4	C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CSc1ccc(C(C)(C)C)cc1
342595465	ZINC000616966051	ref	3.98	-18.41	0	289.379	1.54	2	3	5	CCN(c1ccc(C(=O)N[C@H]2CCNC2=O)cc1)C(C)C
214184711	ZINC000053476626	ref	4.88	-20.65	0	325.455	1.71	1	4	4	O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2ccccc21
214184715	ZINC000053481525	ref	9.59	-14.14	0	342.399	3.258	0	5	4	CC[C@@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1
214184721	ZINC000053480628	ref	3.51	-11.94	0	336.457	2.199	2	4	6	CC(C)Sc1ccccc1C(=O)NCC1(C(N)=O)CCOCC1
342595466	ZINC000616966109	ref	1.74	-16.81	0	281.381	1.367	2	4	2	Cc1nc(C(C)(C)C)sc1C(=O)N[C@@H]1CCNC1=O
214184726	ZINC000053472558	ref	8.65	-25.24	0	344.411	2.414	1	4	5	CC(=O)N[C@H](C(=O)Oc1cccc(N2CCCC2=O)c1)C1CCCC1
214184730	ZINC000053478140	ref	4.79	-19.06	0	349.818	1.478	2	3	3	O=C1NCCCC[C@@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
214184734	ZINC000053477139	ref	3.29	-19.3	0	348.424	2.574	2	5	8	CCCOc1ccc(CNC(=O)c2cc(C(N)=O)cs2)cc1OC
342595467	ZINC000616966252	ref	3.77	-23.33	0	296.754	1.42	2	3	4	Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@H]2CCNC2=O)c1
342595468	ZINC000616966110	ref	1.74	-16.84	0	281.381	1.367	2	4	2	Cc1nc(C(C)(C)C)sc1C(=O)N[C@H]1CCNC1=O
365633811	ZINC000617423373	ref	4.05	-16.87	0	291.355	0.871	2	5	5	C=C(C)C[C@H](NC(C)=O)C(=O)N[C@H]1C[C@H](C)n2ncnc21
342078675	ZINC000089764522	ref	0.92	-19.38	0	293.348	1.111	2	4	4	C[C@H](NS(C)(=O)=O)C(=O)Nc1cncc2ccccc12
214184694	ZINC000337620689	ref	-0.91	-10.66	0	279.287	0.71	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@@H]1CCCC[C@H]1OC(F)F
342078676	ZINC000625295556	ref	5.56	-11.49	0	272.352	1.467	2	3	2	Cc1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c2nccn2c1
185088165	ZINC000096072542	ref	1.78	-13.63	0	299.334	1.083	0	7	3	c1cnc(O[C@H]2CO[C@]3(CCN(c4cnccn4)C3)C2)nc1
299072523	ZINC000358087403	high	6.82	-40.84	1	308.47	1.62	2	2	4	C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)C1=CCN(C)CC1
365633821	ZINC000617424740	ref	2.28	-16.5	0	252.318	0.809	2	5	4	CC[C@](C)(CO)C(=O)N[C@H]1C[C@H](C)n2ncnc21
365633827	ZINC000617423181	ref	5.6	-22.45	0	272.312	0.857	1	6	2	C[C@H]1C[C@@H](NC(=O)c2cnc3n2CCC3)c2ncnn21
365633835	ZINC000617423388	ref	3.66	-17.22	0	282.344	0.843	1	6	8	COCCCOCCC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365633845	ZINC000617424196	ref	5.7	-48.92	1	263.345	0.74	2	4	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c2ncnn21
342078677	ZINC000625295556	mid	8.44	-38.16	1	272.352	1.467	2	3	2	Cc1cc(C(=O)N[C@H]2CCC[N@H+](C)C2)c2nccn2c1
365633852	ZINC000617424196	mid	5.95	-48.1	1	263.345	0.74	2	4	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c2ncnn21
365633861	ZINC000617422728	ref	5.2	-18.62	0	283.295	0.937	2	6	2	C[C@@H]1C[C@H](NC(=O)c2ncnc3[nH]ccc23)c2ncnn21
365639122	ZINC000641608439	ref	3.72	-12.55	0	285.409	1.662	1	3	4	O=S(=O)(NC[C@@H]1CCC[C@H]2C[C@H]21)[C@H]1C[C@@H]2CC[C@H]1O2
365639128	ZINC000641608778	ref	2.94	-8.38	0	275.414	1.455	1	3	3	C[C@H]1CN(S(=O)(=O)CC2(C)CCC2)C[C@@H](C)[C@@H]1O
365639132	ZINC000641602531	ref	4.21	-6.51	0	258.325	1.344	1	4	3	NC(=O)c1cc(N2CC3(CCC3)[C@H]2C2CC2)ncn1
365639137	ZINC000641602342	ref	3.23	-12.64	0	293.429	1.632	0	4	8	CCO[C@]1(CS(=O)(=O)N(CC)[C@H](C)CC)CCOC1
342078678	ZINC000625295556	mid	5.56	-11.49	0	272.352	1.467	1	4	2	Cc1cc(C(=O)N[C@H]2CCCN(C)C2)c2nccn2c1
343993844	ZINC000079911419	ref	4.26	-10.85	0	294.395	2.396	2	4	7	CC[C@@H](C)[C@](C)(O)CNC(=O)c1ncccc1OC(C)C
365639142	ZINC000641602532	ref	3.6	-6.52	0	258.325	1.344	1	4	3	NC(=O)c1cc(N2CC3(CCC3)[C@@H]2C2CC2)ncn1
349534653	ZINC000594968767	high	6.13	-7.36	0	294.351	2.651	1	5	8	CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1C[C@@H](OCC)C1
365639147	ZINC000641608643	ref	5.29	-16.48	0	295.408	1.615	0	5	4	CS(=O)(=O)CC1CCN(c2cc(C3CC3)ncn2)CC1
365633816	ZINC000172893399	ref	0.75	-13.05	0	288.365	1.26	1	5	8	CCOc1ccc(OCCS(=O)(=O)[C@@H](C)CO)cc1
343993847	ZINC000625560496	ref	1.27	-8.26	0	204.295	0.493	1	2	4	C/C=C/CNS(=O)(=O)N1CCCC1
365633828	ZINC000565362479	ref	4.77	-13.1	0	258.281	1.449	0	6	2	CC(C)(C)c1cnc(Cn2cnc(C#N)cc2=O)o1
365633844	ZINC000172892328	ref	8.19	-50.31	1	287.363	1.719	0	5	5	COC[C@@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCO1
178301282	ZINC000013780589	ref	3.82	-7.7	0	245.326	2.196	0	4	1	Cc1cc2nc(N3CCN(C)CC3)oc2cc1C
178301286	ZINC000013780589	mid	6.19	-43.54	1	245.326	2.196	1	3	1	Cc1cc2nc(N3CC[NH+](C)CC3)oc2cc1C
365633853	ZINC000172892328	mid	8.75	-89.43	2	287.363	1.719	1	4	5	COC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CCO1
365633860	ZINC000172892328	mid	8.71	-89.75	2	287.363	1.719	1	4	5	COC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCO1
365633865	ZINC000172892328	low	8.75	-89.43	2	287.363	1.719	1	3	5	COC[C@@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1
185088166	ZINC000096073925	ref	3.97	-22.25	0	274.324	0.561	0	4	1	CN1CC[C@@]2(CCCN(C(=O)c3ccnnc3)C2)C1=O
365633871	ZINC000172892328	low	8.71	-89.75	2	287.363	1.719	1	3	5	COC[C@@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1
343993850	ZINC000073745909	ref	7.52	-9.33	0	244.338	2.886	0	2	3	CN(C(=O)/C=C/c1cccnc1)C1CCCCC1
178301290	ZINC000013832401	ref	5.63	-12.52	0	225.251	1.967	2	3	0	Cc1cc2nc(N)[nH]c(=O)c2c2ccccc12
178301297	ZINC000007572536	ref	9.77	-8.65	0	230.355	4.008	0	2	3	Cc1cc2nc(C)n(CCC(C)C)c2cc1C
178301300	ZINC000007572536	mid	10.21	-26.2	1	230.355	4.008	0	1	3	Cc1cc2[nH+]c(C)n(CCC(C)C)c2cc1C
365633879	ZINC000172889081	ref	3.19	-11.82	0	256.367	1.988	1	3	4	Cc1cc(C)cc(CS(=O)(=O)[C@@H](C)[C@@H](C)O)c1
178301304	ZINC000073737785	ref	3.41	-5.88	0	222.679	2.186	2	3	0	Cc1cc2nc(Cl)c(=NN)[nH]c2cc1C
365633888	ZINC000172891050	ref	4.87	-42.34	1	281.352	1.421	0	5	7	COC[C@@H]1CN(CCOc2ccc(OC)cc2)CCO1
178301311	ZINC000073737785	mid	3.22	-7.28	0	222.679	2.186	2	4	1	Cc1cc2nc(Cl)c(NN)nc2cc1C
365633891	ZINC000172891050	mid	4.94	-42.15	1	281.352	1.421	1	4	7	COC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2)CCO1
178301313	ZINC000073737785	low	3.71	-25.89	1	222.679	2.186	2	3	1	Cc1cc2nc(Cl)c(NN)[nH+]c2cc1C
398248706	ZINC000399006459	low	4.01	-44.13	1	245.326	1.859	1	3	1	Cc1cc(N2CC[C@H](O)C(C)(C)C2)c(C#N)c[nH+]1
365633894	ZINC000172891050	mid	4.87	-42.34	1	281.352	1.421	1	4	7	COC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2)CCO1
214184696	ZINC000278485618	ref	3.64	-14.21	0	311.349	1.698	3	5	4	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3cnc(C)[nH]3)n2)c1
342595469	ZINC000616966704	ref	3.65	-17.06	0	290.363	1.584	2	3	6	CC(C)c1ccc(OCCC(=O)N[C@H]2CCNC2=O)cc1
349534656	ZINC000621241709	ref	6.11	-50.38	-1	263.284	2.039	1	3	7	CC(C)(CC(=O)[O-])CC(=O)NCC[C@H]1CC1(F)F
349534660	ZINC000621233690	ref	6.45	-11.82	0	283.412	2.465	0	3	6	CO[C@H]1CC[C@@H](C(=O)N2CC[C@@H](OCCC(C)C)C2)C1
342595470	ZINC000616966111	ref	3.95	-18.52	0	290.363	1.549	2	3	7	Cc1cccc(OCCCCC(=O)N[C@H]2CCNC2=O)c1
214184699	ZINC000278485618	low	4.11	-38.99	1	311.349	1.698	3	4	4	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)c3c[nH+]c(C)[nH]3)n2)c1
187169544	ZINC000125096938	high	3.27	-4.82	0	265.25	2.563	2	2	5	C[C@H](CO)CNCc1cc(F)cc(C(F)(F)F)c1
214184702	ZINC000278484933	ref	8.19	-8.78	0	303.383	3.176	0	5	5	COC[C@H](OC(=O)c1ccc2c(c1)CCC2)c1nccs1
214184704	ZINC000278486011	ref	7.22	-51.4	1	321.367	3.462	2	2	8	Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1
342595471	ZINC000616966299	ref	4.21	-18.0	0	297.358	1.619	3	2	5	O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@H]1CCNC1=O
342595472	ZINC000616966036	ref	3.66	-20.83	0	296.754	1.42	2	3	4	Cc1cc(O[C@H](C)C(=O)N[C@H]2CCNC2=O)ccc1Cl
214184707	ZINC000278486011	high	5.79	-9.72	0	321.367	3.462	2	3	8	Cc1ccc([C@@H](O)CNCc2ccc(OCC(F)F)cc2)cc1
187169545	ZINC000125101365	ref	4.02	-7.07	0	298.818	2.915	3	5	6	CNc1c(Cl)ncnc1NCCC[C@H]1CCCC[C@@H]1O
214184716	ZINC000278486228	ref	2.92	-8.76	0	302.172	1.337	1	4	2	C[C@H]1COCC[C@@H]1NC(=O)c1cnn(C)c1Br
214184720	ZINC000278484919	ref	6.9	-39.78	1	305.451	2.505	1	5	4	Cc1nc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cs1
214184724	ZINC000278484919	mid	5.82	-6.02	0	305.451	2.505	1	6	4	Cc1nc([C@H](C)N[C@@H]2CCCN(c3ccnn3C)C2)cs1
190597590	ZINC000270096152	ref	5.31	-17.35	0	283.378	2.878	1	6	5	CS[C@@H](C)CC(=O)Nc1nnc(-c2ccco2)s1
214184729	ZINC000278484923	ref	6.68	-11.88	0	305.355	2.89	0	6	6	COC[C@H](OC(=O)c1ccc(C(C)=O)cc1)c1nccs1
342595473	ZINC000616966253	ref	3.77	-23.22	0	296.754	1.42	2	3	4	Cc1ccc(Cl)c(O[C@H](C)C(=O)N[C@@H]2CCNC2=O)c1
342595474	ZINC000616966300	ref	4.2	-17.77	0	297.358	1.619	3	2	5	O=C(CCc1ccc(-c2ccccc2)[nH]1)N[C@@H]1CCNC1=O
342595475	ZINC000616966682	ref	3.0	-20.01	0	296.754	1.504	2	3	6	O=C(CCCOc1ccc(Cl)cc1)N[C@@H]1CCNC1=O
365633829	ZINC000623066094	ref	2.48	-41.23	1	304.213	1.776	2	3	2	C[C@@H]1C[C@H](NC(=O)c2ncc(Br)s2)CC[NH2+]1
365633838	ZINC000623065369	ref	7.91	-23.43	0	313.361	1.461	1	5	4	Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)Cn1cncn1
185088170	ZINC000096074317	ref	4.56	-13.47	0	296.396	1.002	0	6	2	CN(C)C(=O)[C@@H]1COC2(CCN(c3nncs3)CC2)C1
214184700	ZINC000337623819	ref	4.84	-15.44	0	283.266	2.054	1	5	3	O=C(Nc1cnccc1-n1cccn1)c1ccncc1F
214184703	ZINC000337623819	mid	5.29	-40.65	1	283.266	2.054	1	4	3	O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccncc1F
185088171	ZINC000096072316	ref	1.74	-24.24	0	286.328	-0.845	1	5	5	CNC(=O)CO[C@H]1CO[C@]2(CCN(C(=O)COC)C2)C1
185088172	ZINC000096073844	ref	9.08	-51.14	1	299.378	1.669	1	5	3	c1cncc(C[N@@H+]2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)c1
342078679	ZINC000608853970	ref	7.01	-23.78	0	289.335	1.111	1	5	5	COC(=O)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2n1
342078680	ZINC000608853970	low	7.29	-37.16	1	289.335	1.111	1	4	5	COC(=O)[C@H](C)CNC(=O)Cc1cn2cccc(C)c2[nH+]1
342078681	ZINC000089764353	ref	2.16	-15.3	0	292.298	1.981	2	4	3	NC(=O)c1ccc(C(=O)Nc2cncc3ccccc23)cn1
365633846	ZINC000623065859	ref	5.72	-45.18	1	303.41	1.896	2	3	2	C[C@H]1CN(C(=O)Nc2cccnc2N2CCCC2)C[C@@H](C)[NH2+]1
178301292	ZINC000082798004	ref	3.44	-38.89	0	261.372	1.519	1	6	5	Cc1nnc(S[C@H](C)C[C@@](C)([NH3+])C(=O)[O-])s1
185088173	ZINC000096073844	mid	9.07	-51.31	1	299.378	1.669	1	5	3	c1cncc(C[N@H+]2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)c1
365633855	ZINC000623065859	high	4.55	-7.46	0	303.41	1.896	2	4	2	C[C@H]1CN(C(=O)Nc2cccnc2N2CCCC2)C[C@@H](C)N1
342078682	ZINC000625295707	ref	1.1	-39.11	1	267.329	1.287	2	4	6	COc1nc(C(=O)NCC[N@H+](C)C2CCCC2)co1
342078683	ZINC000625295707	mid	1.08	-39.17	1	267.329	1.287	2	4	6	COc1nc(C(=O)NCC[N@@H+](C)C2CCCC2)co1
365633864	ZINC000623066581	ref	2.57	-40.21	1	304.213	1.633	2	3	2	C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ncc(Br)s1
178301298	ZINC000082797984	ref	3.65	-47.36	0	260.384	2.124	1	5	5	Cc1csc(S[C@H](C)C[C@@](C)([NH3+])C(=O)[O-])n1
178301301	ZINC000082796561	ref	4.55	-48.67	1	262.309	0.551	2	3	3	COC(=O)[C@H](C)NC(=O)[C@H]1C[NH2+]Cc2ccccc21
185088174	ZINC000096073844	mid	6.78	-12.74	0	299.378	1.669	0	6	3	c1cncc(CN2CCC[C@]3(C[C@H](n4cnnc4)CO3)C2)c1
178301303	ZINC000082796561	high	3.05	-7.9	0	262.309	0.551	2	4	3	COC(=O)[C@H](C)NC(=O)[C@H]1CNCc2ccccc21
365639124	ZINC000175985579	ref	6.89	-7.59	0	239.359	2.735	0	2	3	C[C@@H]1CC[C@H](CCC(=O)N2CCCC2(C)C)O1
185088175	ZINC000096072429	ref	3.81	-11.68	0	296.392	1.748	0	5	3	CC(=O)N1CC[C@@]2(C[C@H](OCc3csc(C)n3)CO2)C1
365633834	ZINC000354705187	mid	-0.27	-11.56	0	290.327	1.351	3	5	3	COc1nn(C)cc1NC(=O)N[C@@H]1CCCc2cn[nH]c21
282122349	ZINC000248970340	low	6.82	-40.81	1	310.438	1.657	1	3	3	CC[C@]1(C)C[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1
282122351	ZINC000248970340	low	6.82	-40.81	1	310.438	1.657	1	3	3	CC[C@]1(C)C[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCO1
282122358	ZINC000248970384	ref	8.9	-37.46	0	305.378	1.904	2	4	5	CC[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1
185088179	ZINC000096072421	ref	2.55	-41.42	1	254.355	1.489	1	4	3	Cc1nc(CO[C@@H]2CO[C@]3(CC[NH2+]C3)C2)cs1
185088180	ZINC000096074580	ref	2.72	-7.67	0	279.34	0.92	0	5	1	Cc1cc(C(=O)N2CCC3(CC2)COCCN3C)no1
185088181	ZINC000096074580	mid	5.13	-42.38	1	279.34	0.92	1	4	1	Cc1cc(C(=O)N2CCC3(CC2)COCC[N@H+]3C)no1
185088182	ZINC000096074580	mid	5.1	-42.06	1	279.34	0.92	1	4	1	Cc1cc(C(=O)N2CCC3(CC2)COCC[N@@H+]3C)no1
282122359	ZINC000248970384	mid	8.9	-37.46	0	305.378	1.904	2	4	5	CC[C@H](C(=O)[O-])[N@H+]1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1
214184705	ZINC000337620537	ref	7.0	-9.46	0	298.321	2.465	1	5	5	C[C@@H](CNc1ncnc2ccncc12)Oc1ccc(F)cc1
187169547	ZINC000125096534	ref	6.37	-9.86	0	293.407	2.772	1	3	10	COCC(C)(C)C(=O)NCCCCOCc1ccccc1
282122363	ZINC000248969130	ref	7.1	-9.88	0	310.438	1.812	1	4	4	COC(=O)[C@@H]1CCN(CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1C
282122365	ZINC000248969130	mid	8.78	-35.19	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1C
185088186	ZINC000096073518	ref	3.95	-8.7	0	291.395	1.96	1	4	5	c1cc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
365633839	ZINC000354704621	ref	3.66	-13.02	0	279.365	1.25	1	4	5	Cc1cccc(S(=O)(=O)NCCc2ccn(C)n2)c1
185088187	ZINC000096073518	mid	6.46	-33.74	1	291.395	1.96	2	3	5	c1cc(C[N@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
185088188	ZINC000096073518	mid	6.46	-34.14	1	291.395	1.96	2	3	5	c1cc(C[N@@H+]2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
343993851	ZINC000139284557	ref	-0.48	-35.2	1	185.271	0.422	2	2	3	C[C@H]1CN(CCC(N)=[NH2+])[C@@H](C)CO1
185088190	ZINC000096073363	ref	10.49	-33.05	1	291.41	3.853	1	1	3	CC(C)[C@@H]1CO[C@]2(CCC[N@H+](Cc3ccccc3F)C2)C1
185088191	ZINC000096073363	mid	10.2	-33.38	1	291.41	3.853	1	1	3	CC(C)[C@@H]1CO[C@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1
343993853	ZINC000139284557	mid	1.84	-102.17	2	185.271	0.422	3	1	3	C[C@H]1C[N@H+](CCC(N)=[NH2+])[C@@H](C)CO1
342595476	ZINC000616966566	ref	3.17	-16.66	0	272.304	1.668	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)oc2c(C)cccc12
365633836	ZINC000576595007	mid	2.87	-15.79	0	219.248	0.414	3	3	4	Cc1[nH]ccc1C(=O)NCCc1nc[nH]n1
365633841	ZINC000576595031	ref	-0.55	-17.04	0	249.332	-0.159	2	4	4	CC[C@@](C)(O)CNC(=O)[C@H]1CCCS1(=O)=O
365633847	ZINC000576587495	ref	4.36	-55.45	-1	241.287	0.947	1	4	5	C=C(C)[C@H]1OCC[C@H]1C(=O)N[C@@H](CC)C(=O)[O-]
365633856	ZINC000576590048	ref	3.79	-90.05	2	245.37	1.126	2	1	3	C[NH2+][C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1
365633863	ZINC000576587242	ref	4.73	-48.71	1	244.404	1.634	2	2	5	CC[C@@H](SC)C(=O)NCC1(C)CC[NH2+]CC1
342595477	ZINC000616966559	ref	3.33	-17.18	0	260.337	1.277	2	2	3	Cc1ccccc1C(C)(C)C(=O)N[C@H]1CCNC1=O
365633869	ZINC000576592454	ref	9.54	-40.97	1	239.378	3.827	1	0	5	FC1(CC[NH2+][C@@H]2CCC[C@H](C3CC3)C2)CCC1
365633874	ZINC000576589697	ref	7.94	-5.61	0	239.403	3.898	1	1	6	CCC[C@H](CC)NC(=O)C(C)(C)C1CCCC1
365633878	ZINC000576587770	ref	3.33	-6.2	0	227.304	1.097	1	3	7	CCO[C@@H]1C[C@@H]1NC(=O)CC1(COC)CC1
187169548	ZINC000125093744	ref	4.7	-8.92	0	299.37	2.722	2	3	6	CO[C@@](C)(C(=O)Nc1ccc(CCO)cc1)c1ccccc1
187169549	ZINC000125095485	ref	2.89	-12.2	0	280.328	0.614	1	5	6	COCCCCN1C(=O)N[C@@](C)(c2cnn(C)c2)C1=O
365639131	ZINC000576613481	ref	6.94	-14.1	0	235.331	1.826	1	3	4	CC1(C)CCC[C@H]1CNC(=O)Cn1ccnc1
365639135	ZINC000576613481	low	7.45	-36.45	1	235.331	1.826	1	2	4	CC1(C)CCC[C@H]1CNC(=O)Cn1cc[nH+]c1
365639140	ZINC000175983253	ref	4.19	-13.36	0	222.288	0.381	1	2	2	O=C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CCN1
282122352	ZINC000151645243	ref	6.82	-11.95	0	318.398	2.417	1	5	7	COC(=O)CCCNC(=O)c1cnc(Cc2ccccc2)s1
282122361	ZINC000151639293	ref	5.08	-12.93	0	300.349	2.308	2	2	6	CC(C)N(C[C@H](C)O)C(=O)NCCc1cc(F)ccc1F
365639144	ZINC000576613480	ref	6.94	-14.11	0	235.331	1.826	1	3	4	CC1(C)CCC[C@@H]1CNC(=O)Cn1ccnc1
365639149	ZINC000576613480	low	7.45	-36.42	1	235.331	1.826	1	2	4	CC1(C)CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1
185088192	ZINC000096073363	mid	7.65	-4.2	0	291.41	3.853	0	2	3	CC(C)[C@@H]1CO[C@]2(CCCN(Cc3ccccc3F)C2)C1
365639156	ZINC000175985620	ref	6.91	-7.56	0	239.359	2.735	0	2	3	C[C@@H]1CC[C@@H](CCC(=O)N2CCCC2(C)C)O1
365639162	ZINC000576606122	ref	8.8	-7.8	0	249.398	3.461	0	1	2	CC1(C)CCC[C@@H](C(=O)N2CC(C3CCC3)C2)C1
365639170	ZINC000576626152	ref	4.61	-9.35	0	218.26	1.513	0	5	4	C[C@@H]1C[C@@H]1Cc1nc(Cn2cccn2)no1
365639176	ZINC000175986068	ref	6.15	-8.84	0	212.337	2.761	1	1	6	CCCC[C@H](CCC)NC(=O)N1CCC1
365633837	ZINC000123102117	ref	8.86	-37.69	1	272.458	2.317	1	2	4	CS[C@@H]1CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1
365633848	ZINC000123102117	high	6.87	-8.55	0	272.458	2.317	0	3	4	CS[C@@H]1CCCCN(C(=O)[C@H](C(C)C)N(C)C)C1
365633857	ZINC000122985744	ref	5.61	-9.09	0	296.455	2.382	0	3	6	CCC[C@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)C(C)C
365633868	ZINC000122985744	low	7.96	-36.15	1	296.455	2.382	1	2	6	CCC[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCOCC1)C(C)C
365633873	ZINC000122971304	ref	5.65	-36.98	1	258.163	2.198	1	2	5	C=C[C@H](C)[NH2+][C@H](C)Cn1cc(Br)cn1
365633882	ZINC000123078856	ref	4.27	-12.14	0	275.348	2.096	1	3	6	C=CCOc1ccc(C(=O)N2CC[C@H](CCO)C2)cc1
365633900	ZINC000123079084	ref	4.28	-11.35	0	275.348	2.096	1	3	6	C=CCOc1ccc(C(=O)N2CC[C@@H](CCO)C2)cc1
365633910	ZINC000123067541	ref	6.64	-15.79	0	286.291	2.086	1	5	5	C=C(C)CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
365633921	ZINC000123000721	ref	5.77	-10.61	0	259.353	2.459	2	2	4	C=CCNC(=O)N1CCC[C@H](Nc2ccccc2)C1
365633932	ZINC000123103467	ref	9.11	-18.44	0	298.452	2.131	0	3	4	CC[C@H](C(=O)N1CCCC[C@H](SC)C1)N1CCCC1=O
365633945	ZINC000123066834	ref	8.59	-13.07	0	294.395	2.161	1	3	6	C#CCN(C(=O)NC[C@H](C)C(=O)OC(C)C)C1CCCC1
365633958	ZINC000123030856	ref	4.1	-10.6	0	260.259	2.27	2	2	5	Nc1ccc(CC(=O)NCCCC(F)(F)F)cc1
365633974	ZINC000123074088	ref	7.54	-48.3	1	295.427	2.123	3	2	3	C[C@@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C
365633983	ZINC000123074088	mid	7.76	-49.19	1	295.427	2.123	3	2	3	C[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C
365633987	ZINC000123074088	high	4.85	-15.37	0	295.427	2.123	2	3	3	C[C@@H]1CCN(CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C
365633993	ZINC000123059786	ref	8.49	-41.23	1	291.439	2.443	2	1	3	C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CC1
187169550	ZINC000125099675	ref	6.73	-47.72	1	279.277	3.359	1	1	6	COCC[C@H](C)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
365639154	ZINC000641602372	ref	2.84	-11.54	0	267.391	1.098	0	4	9	CC[C@@H](C)N(CC)S(=O)(=O)C[C@@H](COC)OC
342595478	ZINC000616966281	ref	4.2	-18.9	0	280.755	1.667	2	2	5	O=C(CCCc1ccc(Cl)cc1)N[C@@H]1CCNC1=O
187169551	ZINC000125098673	ref	2.56	-10.01	0	296.367	2.224	2	4	5	COC[C@H](NC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccco1
230744846	ZINC000425613656	ref	7.21	-13.94	0	306.362	2.032	0	5	4	COC(=O)[C@H]1CCC[C@H](C(=O)N(C)c2cc(OC)ccn2)C1
342595479	ZINC000616966645	ref	4.46	-22.03	0	274.32	1.094	2	3	5	O=C(N[C@H]1CCNC1=O)c1ccccc1OCC1CC1
342595480	ZINC000616966262	ref	2.61	-16.21	0	272.757	1.339	2	3	4	O=C(CCc1ccc(Cl)s1)N[C@H]1CCNC1=O
178301293	ZINC000237182030	high	3.94	-11.5	0	358.486	1.933	2	4	4	CN1CCC[C@@H](N(C)C(=O)c2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1
299072181	ZINC000354602385	ref	2.0	-27.44	0	347.415	0.974	3	4	7	CC(=O)Nc1ccc(CC(=O)N[C@H](CC(N)=O)C2CCOCC2)cc1
187169552	ZINC000125099081	ref	2.35	-9.49	0	294.351	1.68	2	4	5	COc1ccc(CNC(=O)N[C@H]2CCO[C@H]2C)c(OC)c1
365633849	ZINC000274355887	mid	3.01	-9.83	0	294.399	1.969	3	3	5	Cc1[nH]ncc1CNC(=O)NC[C@@H]1CCCO[C@H]1C(C)C
214184706	ZINC000337620907	ref	8.87	-14.36	0	272.373	3.375	1	3	5	CCc1cccnc1NC(=O)CSc1ccccc1
214184708	ZINC000337622897	ref	4.8	-16.4	0	277.311	2.412	1	3	7	CC(=O)CCCC(=O)N[C@@H]1CCCC[C@H]1OC(F)F
214184709	ZINC000337624270	ref	7.14	-7.95	0	283.441	3.063	2	3	7	CCC[C@@H](C)c1cc(NC(=O)C(C)(C)CSC)[nH]n1
214184710	ZINC000337620989	ref	2.87	-48.21	-1	299.338	0.258	2	6	6	O=C(NC1(c2nnn[n-]2)CC1)c1ccc(NCC2CC2)nc1
214184712	ZINC000337620989	mid	2.84	-48.22	-1	299.338	0.258	2	6	6	O=C(NC1(c2nn[n-]n2)CC1)c1ccc(NCC2CC2)nc1
214184713	ZINC000337620989	mid	2.86	-13.11	0	299.338	0.258	3	6	6	O=C(NC1(c2nn[nH]n2)CC1)c1ccc(NCC2CC2)nc1
306234649	ZINC000557898934	mid	9.93	-54.67	1	348.451	1.597	2	5	10	CCc1nncn1CCNC(=O)N(C)CCC[N@@H+](C)Cc1ccco1
214184719	ZINC000337623212	ref	1.89	-14.08	0	260.403	0.746	1	3	7	CCN(CC)CC(=O)NCC1([S@@](C)=O)CCC1
214184722	ZINC000337623212	mid	3.86	-48.55	1	260.403	0.746	2	2	7	CC[NH+](CC)CC(=O)NCC1([S@@](C)=O)CCC1
214184723	ZINC000337620819	ref	1.91	-11.03	0	284.381	0.652	1	5	5	C[C@H]1CN(C(=O)COc2ccsc2)CCN1CCO
214184727	ZINC000337620819	mid	4.04	-45.05	1	284.381	0.652	2	4	5	C[C@H]1CN(C(=O)COc2ccsc2)CC[N@@H+]1CCO
214184728	ZINC000337620819	mid	4.23	-45.43	1	284.381	0.652	2	4	5	C[C@H]1CN(C(=O)COc2ccsc2)CC[N@H+]1CCO
214184731	ZINC000337620958	ref	6.66	-8.81	0	279.262	2.428	2	3	5	CC[C@@H](C)[C@H](OC)C(=O)Nc1nc(C(F)(F)F)c[nH]1
178305308	ZINC000048248875	low	7.61	-36.59	1	247.367	2.89	1	2	3	Cc1cc2[nH+]cn([C@@H](C)CC(N)=S)c2cc1C
187169553	ZINC000125094888	ref	2.84	-8.87	0	280.368	2.614	3	3	7	CCCOc1ccc(NC(=O)NC[C@@H](O)C(C)C)cc1
214184736	ZINC000337620958	mid	6.58	-8.04	0	279.262	2.428	2	3	5	CC[C@@H](C)[C@H](OC)C(=O)Nc1ncc(C(F)(F)F)[nH]1
214184739	ZINC000337622632	ref	1.67	-10.42	0	267.329	0.793	2	4	7	C[C@H](NC(=O)N(C)CCOCCO)c1ccccn1
214184741	ZINC000337621179	ref	-0.79	-17.95	0	291.373	-0.659	2	4	5	CCCNC(=O)CNC(=O)N1CC[C@@H](S(C)(=O)=O)C1
185088194	ZINC000096072964	ref	6.31	-8.11	0	263.337	2.701	0	3	2	CC[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
365633850	ZINC000336550330	ref	7.46	-12.48	0	264.373	2.342	1	4	2	C[C@H]1CCCC[C@@H]1NC(=O)c1ncn(C(C)(C)C)n1
185088195	ZINC000096072229	ref	1.73	-11.15	0	277.32	1.412	1	4	2	CO[C@@H]1CO[C@@]2(CCN(C(=O)c3cccc(O)c3)C2)C1
185088196	ZINC000096072229	high	2.48	-46.27	-1	277.32	1.412	0	4	2	CO[C@@H]1CO[C@@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1
185088197	ZINC000096072946	ref	9.93	-36.11	1	259.393	3.12	1	1	3	C[C@H]1COC2(CC[NH+](CCc3ccccc3)CC2)C1
398248708	ZINC000390784968	high	2.11	-8.5	0	210.321	1.433	2	2	3	CCC1(NC(=O)[C@H]2NCC2(C)C)CCC1
178301296	ZINC000237177855	ref	5.33	-60.44	1	365.455	1.902	2	4	7	COC(=O)c1cc(C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1
365639159	ZINC000641608663	ref	6.44	-42.15	1	298.394	1.409	1	5	2	Cn1nccc1-c1ccc(N2CC[C@@]3(CC[N@H+](C)C3)C2)nn1
178301299	ZINC000237177855	mid	4.21	-14.43	0	365.455	1.902	2	5	7	COC(=O)c1cc(CN[C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1
185088199	ZINC000096072381	ref	9.19	-33.48	1	287.403	2.847	1	2	5	c1ccc(CO[C@@H]2CO[C@@]3(CC[N@H+](CC4CC4)C3)C2)cc1
185088200	ZINC000096072381	mid	9.17	-32.82	1	287.403	2.847	1	2	5	c1ccc(CO[C@@H]2CO[C@@]3(CC[N@@H+](CC4CC4)C3)C2)cc1
178301302	ZINC000237178778	ref	9.98	-67.44	-1	369.299	1.716	0	6	4	Cc1cc(=O)c(C(=O)N(C)CC(=O)[O-])nn1-c1cccc(C(F)(F)F)c1
185088201	ZINC000096072965	ref	6.35	-8.08	0	263.337	2.701	0	3	2	CC[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
342078684	ZINC000402852870	ref	6.2	-6.12	0	251.326	1.656	1	3	4	CC[C@H](NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2)C(=O)OC
185088202	ZINC000096075003	ref	4.6	-21.5	0	288.351	1.414	1	3	2	CN(C)C(=O)N1CC[C@@]2(C[C@H]2C(=O)Nc2cccnc2)C1
185386248	ZINC000096752623	ref	5.98	-52.66	-1	309.362	2.007	1	5	10	COc1ccc(CC(=O)NCCCCCC(=O)[O-])c(OC)c1
185088204	ZINC000096075100	ref	7.9	-15.0	0	272.352	1.28	1	4	3	Cc1cnc(N2CC[C@]3(C[C@@H]3C(=O)NC3CC3)C2)nc1
293078445	ZINC000360712842	ref	5.21	-10.09	0	283.412	2.323	0	3	4	COC[C@H](C)[C@H](C)C(=O)N1CCC2(CCOCC2)[C@@H]1C
342078685	ZINC000608854156	ref	4.72	-18.37	0	278.308	1.201	1	4	5	COC(=O)[C@@H](C)CN(C(=O)c1ccc[nH]c1=O)C1CC1
185088206	ZINC000096074578	ref	6.71	-39.9	1	274.408	2.026	1	2	3	CN1CCOCC12CC[NH+](CCc1ccccc1)CC2
185088207	ZINC000096074578	low	8.97	-103.84	2	274.408	2.026	2	1	3	C[N@@H+]1CCOCC12CC[NH+](CCc1ccccc1)CC2
365633851	ZINC000457194065	ref	7.24	-15.89	0	268.317	1.883	1	5	4	C[C@H](CC(C)(C)C)NC(=O)c1nn(C)cc1[N+](=O)[O-]
342595481	ZINC000616966443	ref	1.92	-17.18	0	266.347	1.581	2	4	2	O=C(N[C@@H]1CCNC1=O)c1cc2sccc2s1
365633859	ZINC000354703888	ref	5.56	-48.59	1	288.342	1.447	2	3	7	Cc1nn(CC(F)F)c(C)c1C(=O)NCCC[NH+](C)C
349534657	ZINC000618813454	ref	5.73	-22.82	0	288.351	1.874	0	5	5	CC(C)Oc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1
349534662	ZINC000618814101	ref	6.04	-20.64	0	258.325	1.704	0	4	3	Cc1cccc(C(=O)N(C)Cc2cn(C)nn2)c1C
349534667	ZINC000618813734	ref	6.32	-18.59	0	261.329	1.226	0	5	5	C[C@H](CC(=O)N(C)Cc1cn(C)nn1)n1cccc1
349534672	ZINC000618813166	ref	5.66	-10.63	0	278.381	1.813	0	5	4	CN(Cc1cn(C)nn1)C(=O)C(C)(C)c1cccs1
349534677	ZINC000618812737	ref	6.0	-12.73	0	262.288	1.155	0	4	4	CN(Cc1cn(C)nn1)C(=O)Cc1cccc(F)c1
349534683	ZINC000618813684	ref	7.41	-19.64	0	272.352	1.715	0	4	5	Cc1ccc(CCC(=O)N(C)Cc2cn(C)nn2)cc1
214184718	ZINC000293583281	mid	2.92	-12.41	0	366.462	0.798	0	7	8	CCCc1nc(C)c(C(=O)N(CCN2CCN(C)CC2)CC(=O)OC)o1
365633870	ZINC000354704361	ref	1.68	-8.49	0	252.318	1.739	2	4	5	CCC[C@@H]1C[C@H]1NC(=O)Nc1cn(C)nc1OC
365633875	ZINC000354703808	ref	7.68	-44.79	1	278.4	1.953	2	4	6	C[C@@H](O)CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1
342078686	ZINC000625297215	ref	6.03	-41.83	1	290.363	1.427	2	3	2	C[N@@H+]1CCC[C@H](NC(=O)[C@@]2(C)COc3ccccc3O2)C1
187169554	ZINC000125098488	ref	2.34	-9.68	0	294.351	1.68	2	4	5	COc1ccc(CNC(=O)N[C@@H]2CCO[C@@H]2C)c(OC)c1
365633881	ZINC000354703808	mid	8.15	-43.78	1	278.4	1.953	2	4	6	C[C@@H](O)CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1
365633885	ZINC000354703808	high	5.92	-10.18	0	278.4	1.953	1	5	6	C[C@@H](O)CCCN1CCC[C@@H](c2nncn2C2CC2)C1
365639427	ZINC000336555889	low	8.29	-99.2	2	265.426	2.369	2	2	2	Cc1ncc(C[N@H+]2CC[C@@]3(CCC[NH+](C)C3)C2)s1
214184725	ZINC000293578422	ref	8.02	-41.07	1	362.449	0.931	2	3	6	C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2)CC1=O
342078687	ZINC000625297215	mid	6.57	-44.1	1	290.363	1.427	2	3	2	C[N@H+]1CCC[C@H](NC(=O)[C@@]2(C)COc3ccccc3O2)C1
342078688	ZINC000625297215	mid	3.68	-10.01	0	290.363	1.427	1	4	2	CN1CCC[C@H](NC(=O)[C@@]2(C)COc3ccccc3O2)C1
342078689	ZINC000402854247	ref	4.36	-13.48	0	287.363	1.998	1	4	5	CCN(CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCOC1
342078690	ZINC000402854247	mid	6.43	-45.23	1	287.363	1.998	2	3	5	CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCOC1
214184732	ZINC000293578422	high	5.55	-12.17	0	362.449	0.931	1	4	6	CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2)CC1=O
342078691	ZINC000402854247	mid	6.34	-44.7	1	287.363	1.998	2	3	5	CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@@H]1CCCOC1
214184735	ZINC000293577440	ref	4.05	-11.55	0	350.806	0.227	1	4	3	O=C(NC1CC1)C(=O)N1CCN(C(=O)Cc2cnccc2Cl)CC1
342078692	ZINC000625297074	ref	1.28	-42.92	1	250.342	1.398	3	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccnc1
214184743	ZINC000293579128	ref	2.37	-17.82	0	366.849	0.327	1	5	6	O=C(Cc1cnccc1Cl)N[C@H]1CC(=O)N(CCN2CCOCC2)C1
349534659	ZINC000594969072	ref	8.3	-48.53	1	271.32	2.631	1	3	6	Cc1ccncc1CC[NH2+]Cc1ccccc1[N+](=O)[O-]
214184748	ZINC000293579128	low	4.82	-53.87	1	366.849	0.327	2	4	6	O=C(Cc1cnccc1Cl)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1
214184751	ZINC000293575577	ref	3.62	-18.92	0	358.391	0.82	1	5	4	COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c(C)cc1F
190493568	ZINC000269428906	ref	4.26	-13.55	0	290.363	2.078	2	3	7	COCCC1(C(=O)Nc2ccc(CNC(C)=O)cc2)CC1
349534664	ZINC000594969072	high	7.1	-10.21	0	271.32	2.631	1	4	6	Cc1ccncc1CCNCc1ccccc1[N+](=O)[O-]
214184757	ZINC000293579616	ref	1.53	-48.11	1	374.441	0.318	5	4	6	C[C@@]1(c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)cc2)NC(=O)NC1=O
349534668	ZINC000594969831	ref	6.67	-47.57	1	283.412	2.913	1	1	4	Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1F
214184763	ZINC000293579616	high	-0.87	-13.3	0	374.441	0.318	4	5	6	C[C@@]1(c2ccc(C(=O)N[C@@H](CO)CN3CCCCC3)cc2)NC(=O)NC1=O
349534673	ZINC000594969831	high	5.48	-13.18	0	283.412	2.913	1	2	4	Cc1cccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c1F
342078693	ZINC000625297074	high	0.11	-6.76	0	250.342	1.398	3	4	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1cccnc1
342078694	ZINC000046503841	ref	6.92	-45.58	1	267.325	1.985	1	4	4	COC(=O)c1oc(C[NH+]2CCC(OC)CC2)cc1C
214184767	ZINC000293578698	ref	1.41	-10.23	0	351.403	0.919	3	5	7	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(OC)cc1OC)C(C)C
342078695	ZINC000046503841	mid	4.44	-8.29	0	267.325	1.985	0	5	4	COC(=O)c1oc(CN2CCC(OC)CC2)cc1C
214184773	ZINC000293572683	ref	1.35	-21.44	0	359.448	0.496	2	7	7	COC(=O)C1(CS(=O)(=O)NC[C@H](O)c2cnn(C)c2)CCCCC1
190493572	ZINC000269424736	ref	8.57	-16.06	0	284.363	3.085	1	4	4	CC/C=C(\C)C(=O)Nc1cccc(-c2nnc(C)n2C)c1
230236388	ZINC000354968609	low	1.85	-46.1	1	290.385	-0.599	2	4	4	CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2CCCS2(=O)=O)C1
282122353	ZINC000449152720	ref	6.7	-49.12	1	276.38	2.103	1	2	5	COc1cc(C)ccc1C[NH2+][C@H]1CC(=O)N(C(C)C)C1
282122355	ZINC000449152720	mid	5.54	-9.33	0	276.38	2.103	1	3	5	COc1cc(C)ccc1CN[C@H]1CC(=O)N(C(C)C)C1
342595482	ZINC000616966496	ref	2.5	-16.58	0	258.277	1.36	2	3	2	Cc1ccc2oc(C(=O)N[C@H]3CCNC3=O)cc2c1
185088208	ZINC000096074578	low	8.97	-104.17	2	274.408	2.026	2	1	3	C[N@H+]1CCOCC12CC[NH+](CCc1ccccc1)CC2
422733272	ZINC000636233648	ref	2.92	-11.73	0	317.32	1.932	1	4	3	NC(=O)c1cc(C(=O)N2CCC(c3ccc(F)cn3)CC2)co1
412491676	ZINC000655150924	ref	1.63	-12.0	0	292.335	0.943	1	5	2	C[C@@H]1C[C@H](CO)CN(C(=O)c2ccc3c(n2)OCCO3)C1
199273341	ZINC000294963214	ref	6.12	-7.49	0	272.377	3.433	1	5	4	CCn1nc(C)c(CNc2csc3ccccc23)n1
187169555	ZINC000125101579	ref	4.02	-7.16	0	298.818	2.915	3	5	6	CNc1c(Cl)ncnc1NCCC[C@@H]1CCCC[C@H]1O
185088209	ZINC000096072160	ref	7.77	-11.29	0	282.347	2.025	0	5	2	c1cnc(N2CC[C@]3(C[C@@H](c4cccnc4)CO3)C2)nc1
187169556	ZINC000125095656	ref	4.19	-45.98	1	262.357	1.888	1	4	7	CCn1nccc1C[NH2+]C[C@@H](c1ccco1)N(C)C
187169557	ZINC000125095656	high	3.4	-6.34	0	262.357	1.888	1	5	7	CCn1nccc1CNC[C@@H](c1ccco1)N(C)C
197592625	ZINC000162805334	ref	8.84	-17.38	0	311.385	3.063	1	3	2	Cc1cc(=O)n(C)cc1NC(=O)N1CCC[C@@H]1c1ccccc1
230236409	ZINC000354982308	ref	1.01	-17.13	0	283.328	-0.31	2	4	2	CC1(C)NC(=O)N(CC(=O)N2CCC[C@@H](O)CC2)C1=O
230236414	ZINC000354873767	ref	4.05	-26.88	0	284.312	-0.556	1	5	3	COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCCN(C)C2=O)O1
230236423	ZINC000354917348	ref	3.34	-16.33	0	283.372	-0.214	0	4	2	CCN1CCO[C@H](C(=O)N2CCN(C(C)=O)C[C@H]2C)C1
230236430	ZINC000354917348	mid	5.75	-58.76	1	283.372	-0.214	1	3	2	CC[N@@H+]1CCO[C@H](C(=O)N2CCN(C(C)=O)C[C@H]2C)C1
230236435	ZINC000354917348	mid	5.57	-50.7	1	283.372	-0.214	1	3	2	CC[N@H+]1CCO[C@H](C(=O)N2CCN(C(C)=O)C[C@H]2C)C1
230236440	ZINC000355024484	ref	1.34	-10.35	0	275.268	-0.073	1	7	4	COC(=O)c1cnc(C(=O)NCc2ccn(C)n2)cn1
230236451	ZINC000354895801	ref	4.41	-18.03	0	257.286	-0.046	0	5	3	COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC[C@@H](OC)C2)O1
230236460	ZINC000354974349	ref	-1.02	-53.58	1	281.316	-0.128	4	4	6	COc1ncc(NC(=O)NCC[NH+](C)C)cc1C(N)=O
230236468	ZINC000354974349	high	-3.5	-15.55	0	281.316	-0.128	3	5	6	COc1ncc(NC(=O)NCCN(C)C)cc1C(N)=O
230236474	ZINC000355039799	ref	-1.11	-18.87	0	287.36	-0.449	3	4	6	C[C@H](NC(=O)NCCC(=O)N1CCOCC1)[C@@H](C)CO
365633862	ZINC000274355888	ref	2.96	-11.66	0	294.399	1.969	3	3	5	Cc1n[nH]cc1CNC(=O)NC[C@H]1CCCO[C@H]1C(C)C
178301312	ZINC000237184262	ref	4.34	-48.63	1	359.474	1.866	1	5	5	COc1nn(C)c2nc(C)c(CCC(=O)N3CCCC[C@H]3C[NH3+])c(C)c12
178301315	ZINC000237193222	ref	5.24	-45.97	1	370.291	1.628	2	3	8	COCC[NH2+]CC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1
178301318	ZINC000237193222	high	3.89	-10.7	0	370.291	1.628	2	4	8	COCCNCC(=O)NC[C@@H]1CCN(c2ccc(Br)cc2)C1
178301320	ZINC000237192784	ref	10.33	-68.5	-1	367.405	1.88	1	6	7	CCn1c(=O)n(CC(=O)NCCc2ccc(C(=O)[O-])cc2)c2ccccc21
178301324	ZINC000237187881	ref	5.71	-50.02	1	356.463	1.693	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(F)cc2)C1
185088210	ZINC000096072453	ref	7.24	-37.24	1	288.391	2.494	1	3	4	c1cncc(O[C@@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)c1
178301326	ZINC000237192658	ref	7.76	-46.26	1	354.406	1.569	2	4	6	COC(=O)COc1cccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1
178301329	ZINC000237192658	mid	6.37	-13.96	0	354.406	1.569	2	5	6	COC(=O)COc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c1
178301331	ZINC000237186809	ref	4.33	-49.85	1	353.488	1.477	2	3	8	C[NH2+]CCCC(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
178301335	ZINC000237193745	ref	4.35	-56.34	1	374.392	1.95	1	6	4	CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1cn(C2CC[NH2+]CC2)nn1
365633867	ZINC000274355888	mid	2.91	-11.35	0	294.399	1.969	3	3	5	Cc1[nH]ncc1CNC(=O)NC[C@H]1CCCO[C@H]1C(C)C
178301339	ZINC000237184983	ref	7.54	-49.41	1	363.527	1.996	2	3	8	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](CCSC)NC(=O)c2ccccc2)C1
178301343	ZINC000237197395	ref	2.91	-46.53	1	361.236	1.319	2	4	9	COCC[NH2+]CC(=O)NCc1cc(Br)c(OC)c(OC)c1
342595483	ZINC000616966720	ref	2.98	-18.72	0	288.347	1.122	2	3	4	COc1ccc(C2(C(=O)N[C@@H]3CCNC3=O)CCC2)cc1
178301347	ZINC000237197395	high	1.56	-10.86	0	361.236	1.319	2	5	9	COCCNCC(=O)NCc1cc(Br)c(OC)c(OC)c1
349534665	ZINC000621235836	ref	6.45	-6.67	0	268.401	2.328	1	2	6	CCC(=O)N[C@H](C)C(=O)N(CC(C)C)C1CCCC1
178301349	ZINC000237193922	ref	5.58	-47.37	1	354.248	1.846	2	2	4	C[NH2+]CC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1
178301351	ZINC000237193922	high	4.14	-13.66	0	354.248	1.846	2	3	4	CNCC(=O)N1CCC(C(=O)Nc2ccc(Br)cc2)CC1
178301354	ZINC000237197443	ref	5.69	-53.66	1	358.486	1.474	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)c2)CC1
214184733	ZINC000278485853	ref	3.62	-11.12	0	320.368	1.613	1	5	7	CNC(=O)[C@H](C)CN(C)Cc1nc(Cc2cccc(F)c2)no1
343993852	ZINC000079917767	ref	4.57	-9.28	0	253.264	2.403	1	2	5	C[C@H](C[C@H]1CCCO1)NC(=O)CCC(F)(F)F
342078696	ZINC000600311849	ref	6.11	-52.15	1	280.328	1.385	3	3	4	C[N@@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1
214184737	ZINC000278485853	mid	5.41	-48.39	1	320.368	1.613	2	4	7	CNC(=O)[C@H](C)C[N@H+](C)Cc1nc(Cc2cccc(F)c2)no1
185088211	ZINC000096072453	mid	7.39	-37.79	1	288.391	2.494	1	3	4	c1cncc(O[C@@H]2CO[C@@]3(CC[N@H+](CC4CCC4)C3)C2)c1
343993856	ZINC000079914586	ref	7.77	-56.13	1	264.329	2.134	2	4	5	C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)C1
349534666	ZINC000621492911	ref	7.82	-10.26	0	280.318	3.318	1	1	3	C[C@H]1c2ccccc2CN1C(=O)NCC[C@H]1CC1(F)F
185088213	ZINC000096072148	ref	5.11	-7.55	0	283.375	2.558	1	3	3	c1ccc([C@H]2CO[C@@]3(CCN(Cc4cc[nH]n4)C3)C2)cc1
185088214	ZINC000096072148	mid	7.53	-37.69	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2)cc1
290622477	ZINC000332648752	ref	3.31	-13.48	0	310.423	1.434	1	5	2	CNC(=O)[C@]1(C)CCN(C(=O)c2snnc2C(C)(C)C)C1
185088215	ZINC000096072148	mid	7.59	-37.35	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2)cc1
185088216	ZINC000096072253	ref	2.92	-7.16	0	277.368	1.57	1	4	5	c1cc(CN2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
342078697	ZINC000600311849	mid	5.93	-52.2	1	280.328	1.385	3	3	4	C[N@H+]1CCCC[C@@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1
136229181	ZINC000232465565	mid	3.62	-37.22	1	200.351	1.224	2	2	3	C1C[NH2+][C@H](CNC2CCSCC2)C1
185088217	ZINC000096072253	mid	5.67	-36.11	1	277.368	1.57	2	3	5	c1cc(C[N@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
282122354	ZINC000356113575	high	1.59	-9.48	0	254.33	0.122	0	4	3	CN(C)C[C@@H]1CN(C(=O)C2=CCOCC2)CCO1
342078698	ZINC000625297076	ref	2.56	-43.09	1	250.342	1.398	3	3	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cccnc1
342078699	ZINC000625297076	high	1.47	-6.84	0	250.342	1.398	3	4	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1cccnc1
342078700	ZINC000625297146	ref	7.62	-14.09	0	295.383	1.306	0	3	6	CC[C@H](C)[C@H](C)N(C(=O)CN1CC(=O)N(C)C1=O)C1CC1
342078701	ZINC000625296586	ref	5.28	-42.3	1	292.383	1.059	2	4	3	C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)C1
342078702	ZINC000625296586	mid	4.76	-41.65	1	292.383	1.059	2	4	3	C[N@H+]1CCC[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)C1
342078703	ZINC000625296586	mid	2.4	-9.7	0	292.383	1.059	1	5	3	CN1CCC[C@@H](NC(=O)c2ccn(C3CCOCC3)n2)C1
187169558	ZINC000125099042	ref	9.68	-41.39	1	277.364	3.221	1	3	4	COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2C2CCCC2)o1
342595484	ZINC000616966270	ref	0.56	-17.8	0	297.742	1.14	2	4	4	CC(C)Oc1ncc(C(=O)N[C@@H]2CCNC2=O)cc1Cl
187169559	ZINC000125099042	mid	9.08	-40.19	1	277.364	3.221	1	3	4	COC(=O)c1ccc(C[N@H+]2CCC[C@H]2C2CCCC2)o1
342595485	ZINC000616966477	ref	1.04	-17.25	0	289.154	1.129	2	3	2	O=C(N[C@@H]1CCNC1=O)c1cc(Br)cs1
365633872	ZINC000623065493	ref	1.92	-54.18	1	318.402	1.512	4	4	4	O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ncc(-c2ccccc2)s1
365633880	ZINC000623065494	ref	2.12	-57.6	1	318.402	1.512	4	4	4	O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)Nc1ncc(-c2ccccc2)s1
365633886	ZINC000623066407	ref	4.51	-48.14	1	307.785	1.601	2	4	4	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
342595486	ZINC000616966261	ref	2.6	-15.49	0	272.757	1.339	2	3	4	O=C(CCc1ccc(Cl)s1)N[C@@H]1CCNC1=O
365633892	ZINC000623066005	ref	5.39	-52.95	1	300.362	1.137	2	3	2	CN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[NH2+]CC1
365633898	ZINC000623066005	mid	4.32	-79.19	0	300.362	1.137	1	3	2	CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCC[NH2+]CC1
365633902	ZINC000623065978	ref	2.72	-55.27	1	311.407	1.304	2	3	2	C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)[NH2+]1
187169560	ZINC000125099042	high	6.96	-6.15	0	277.364	3.221	0	4	4	COC(=O)c1ccc(CN2CCC[C@H]2C2CCCC2)o1
342595487	ZINC000616966098	ref	3.65	-16.76	0	286.331	1.976	2	3	2	Cc1ccc(C)c2c(C)c(C(=O)N[C@H]3CCNC3=O)oc12
365633906	ZINC000623065978	mid	1.55	-17.1	0	311.407	1.304	2	4	2	C[C@H]1CN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C[C@@H](C)N1
365633912	ZINC000623065405	ref	2.97	-44.5	1	304.213	1.633	2	3	2	C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ncc(Br)s1
365633920	ZINC000623065566	ref	4.87	-63.17	1	315.381	1.316	2	5	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC(C)([NH3+])CC1
342595488	ZINC000616966558	ref	3.33	-17.75	0	260.337	1.277	2	2	3	Cc1ccccc1C(C)(C)C(=O)N[C@@H]1CCNC1=O
365633927	ZINC000623066265	ref	4.54	-48.56	1	321.425	1.383	2	4	5	COCCn1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1
365633935	ZINC000623066273	ref	7.68	-42.97	1	303.41	1.154	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1
187169561	ZINC000125099442	ref	4.81	-10.93	0	292.379	3.022	2	3	6	CCCOc1ccc(NC(=O)N[C@@H](C)[C@H]2CCOC2)cc1
342600518	ZINC000616999719	mid	3.17	-37.98	1	256.39	1.241	3	2	4	CC(C)(CO)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
185088218	ZINC000096072253	mid	5.57	-34.51	1	277.368	1.57	2	3	5	c1cc(C[N@@H+]2CC[C@@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
185088219	ZINC000096073043	ref	4.41	-37.42	1	279.384	1.139	2	4	3	C[C@@H](O)C[NH+]1CCC2(CC1)C[C@H](c1cnn(C)c1)CO2
185088220	ZINC000096072332	ref	3.69	-19.99	0	298.383	0.555	1	4	5	CNC(=O)CO[C@@H]1CO[C@@]2(CCN(C(=O)CC(C)C)C2)C1
398248709	ZINC000286162567	ref	9.0	-5.27	0	243.35	2.919	0	2	5	C#Cc1cccc(N(C)CC2CC(OCC)C2)c1
185088221	ZINC000096072645	ref	5.53	-11.42	0	297.362	1.722	1	6	3	c1cncc(N[C@@H]2CO[C@@]3(CCN(c4ccncn4)C3)C2)c1
185088222	ZINC000096072420	ref	2.62	-40.82	1	254.355	1.489	1	4	3	Cc1nc(CO[C@H]2CO[C@]3(CC[NH2+]C3)C2)cs1
282122360	ZINC000237829690	high	2.72	-15.23	0	263.345	0.16	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCCN1)CC2
365633876	ZINC000274356557	ref	5.79	-14.16	0	281.377	1.744	0	3	4	CCc1ccc(CS(=O)(=O)N2CCC(=O)CC2)cc1
365633883	ZINC000274353907	ref	7.4	-38.81	1	257.769	1.489	2	4	5	CC(C)N(CC[NH+](C)C)c1cc(Cl)nc(N)n1
282122364	ZINC000333517796	ref	2.91	-16.19	0	344.404	1.57	3	7	3	Cc1nc2n(n1)C[C@H](NC(=O)Nc1c[nH]nc1-c1nccs1)CC2
342078704	ZINC000625296581	ref	8.57	-42.12	1	270.376	1.783	2	1	2	C[N@@H+]1CCC[C@H](NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)C1
185088226	ZINC000096074125	ref	6.2	-47.42	1	292.383	0.745	1	4	2	Cn1ccc(C(=O)N2CCC3(CC2)C[C@@H]([NH+](C)C)CO3)n1
185088227	ZINC000096074125	high	3.82	-10.93	0	292.383	0.745	0	5	2	CN(C)[C@H]1COC2(CCN(C(=O)c3ccn(C)n3)CC2)C1
185088228	ZINC000096074588	ref	5.52	-41.8	1	252.358	1.11	1	2	1	C[N@@H+]1CCOCC12CCN(C(=O)C1CCC1)CC2
342078705	ZINC000625296581	mid	9.11	-44.76	1	270.376	1.783	2	1	2	C[N@H+]1CCC[C@H](NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)C1
185088229	ZINC000096074588	mid	5.52	-43.94	1	252.358	1.11	1	2	1	C[N@H+]1CCOCC12CCN(C(=O)C1CCC1)CC2
185088230	ZINC000096074588	mid	3.27	-8.61	0	252.358	1.11	0	3	1	CN1CCOCC12CCN(C(=O)C1CCC1)CC2
346818819	ZINC000589954987	ref	7.77	-7.81	0	261.365	3.394	1	2	7	CCCCCOc1ccc(C(=O)N[C@@H]2C[C@H]2C)cc1
185088231	ZINC000096072902	ref	4.07	-13.49	0	276.336	1.03	0	4	3	CO[C@H]1CO[C@@]2(CCN(C(=O)Cc3ccccn3)C2)C1
185088232	ZINC000096073186	ref	3.52	-40.18	1	268.382	1.879	1	4	3	Cc1nc(CO[C@H]2COC3(CC[NH2+]CC3)C2)cs1
185088233	ZINC000096072317	ref	1.77	-20.18	0	286.328	-0.845	1	5	5	CNC(=O)CO[C@@H]1CO[C@]2(CCN(C(=O)COC)C2)C1
185088234	ZINC000096074019	ref	8.33	-39.72	1	287.407	2.304	1	2	3	CC(C)[N@@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1
214184738	ZINC000278485853	mid	5.68	-48.62	1	320.368	1.613	2	4	7	CNC(=O)[C@H](C)C[N@@H+](C)Cc1nc(Cc2cccc(F)c2)no1
214184740	ZINC000278486073	ref	3.97	-48.22	1	323.433	2.505	2	4	10	CCCCOc1cc(C[NH2+][C@]2(CCO)CCOC2)ccc1OC
214184744	ZINC000278486073	high	3.09	-8.29	0	323.433	2.505	2	5	10	CCCCOc1cc(CN[C@]2(CCO)CCOC2)ccc1OC
214184749	ZINC000278485814	ref	6.76	-11.03	0	305.374	3.482	1	4	4	COC(C)(C)CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2
214184752	ZINC000278484889	ref	9.14	-12.17	0	316.453	3.24	1	6	8	CCCC[C@@H](CC)Nc1cnn(Cc2nnc3n2CCCC3)c1
214184755	ZINC000278486197	ref	7.89	-10.83	0	319.449	3.377	1	3	5	Cc1cnccc1OC1CCN(C(=O)N[C@H](C)CC(C)C)CC1
342078706	ZINC000625296581	high	6.21	-9.44	0	270.376	1.783	1	2	2	CN1CCC[C@H](NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)C1
282122362	ZINC000424417764	ref	8.87	-36.86	0	255.402	3.292	1	2	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C(C)C)C(=O)[O-]
214184759	ZINC000278486197	mid	8.48	-43.12	1	319.449	3.377	1	2	5	Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@H](C)CC(C)C)CC1
214184761	ZINC000278485659	ref	4.41	-8.63	0	310.199	2.684	1	5	4	CCn1nc(C)c(CNc2cnc(Br)cn2)c1C
342078707	ZINC000625298864	ref	2.05	-40.29	1	253.346	1.47	2	4	9	CCCC[N@H+](CCCO)Cc1cncc(OC)n1
214184765	ZINC000278485572	ref	4.71	-10.96	0	305.802	2.772	2	3	7	CCCSCC(=O)NC[C@H](O)c1cc(F)cc(Cl)c1
342078708	ZINC000625298864	mid	2.03	-39.95	1	253.346	1.47	2	4	9	CCCC[N@@H+](CCCO)Cc1cncc(OC)n1
365633877	ZINC000641601500	ref	-1.32	-43.01	-1	271.361	1.642	0	5	8	CCC(C)(C)c1n[n-]c(=N[C@H](CCOC)COC)o1
214184775	ZINC000278485495	ref	7.26	-17.66	0	313.323	3.101	1	2	2	O=C(C1CC=CC1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
214184779	ZINC000278485495	mid	7.18	-12.71	0	313.323	3.101	1	2	2	O=C(C1CC=CC1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
214184783	ZINC000278485711	ref	7.04	-21.29	0	316.401	2.819	1	3	3	CC1(C)CC[C@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)O1
214184787	ZINC000278486317	ref	5.36	-9.79	0	312.391	2.319	1	6	5	CCOC(=O)c1csc(NC(=O)[C@H]2CCO[C@@H]2C(C)C)n1
365633884	ZINC000641601022	ref	3.9	-15.1	0	264.325	1.096	1	5	7	COCC[C@H](COC)Nc1ccc2c(n1)C(=O)CC2
214184793	ZINC000278485027	ref	3.35	-13.52	0	323.386	1.496	0	3	2	C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC[S@]1=O
342078709	ZINC000625298864	mid	-0.18	-6.15	0	253.346	1.47	1	5	9	CCCCN(CCCO)Cc1cncc(OC)n1
343993855	ZINC000625558721	ref	1.79	-9.67	0	231.239	1.434	1	2	5	C/C=C/CNS(=O)(=O)CCC(F)(F)F
365633887	ZINC000274353907	high	4.92	-4.93	0	257.769	1.489	1	5	5	CC(C)N(CCN(C)C)c1cc(Cl)nc(N)n1
342078710	ZINC000625297078	ref	2.57	-43.07	1	250.342	1.398	3	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cccnc1
185088235	ZINC000096074019	mid	8.6	-33.48	1	287.407	2.304	1	2	3	CC(C)[N@H+]1CCC[C@@]2(CCN(Cc3ccncc3)C2=O)C1
178301332	ZINC000082798372	ref	2.95	-51.82	1	261.774	2.24	1	2	4	C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccc(Cl)cc1
365633893	ZINC000274355889	ref	3.08	-10.24	0	294.399	1.969	3	3	5	Cc1n[nH]cc1CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C
178301334	ZINC000082796575	ref	7.5	-48.09	1	266.344	2.821	2	1	2	Cc1ccccc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21
178301337	ZINC000082796575	high	5.9	-9.38	0	266.344	2.821	2	2	2	Cc1ccccc1NC(=O)[C@H]1CNCc2ccccc21
365633897	ZINC000274355889	mid	3.03	-9.78	0	294.399	1.969	3	3	5	Cc1[nH]ncc1CNC(=O)NC[C@H]1CCCO[C@@H]1C(C)C
178301338	ZINC000082797965	ref	2.87	-45.49	1	261.372	1.299	1	6	5	COC(=O)[C@](C)([NH3+])C[C@H](C)Sc1nncs1
178301340	ZINC000082797965	mid	2.61	-9.53	0	261.372	1.299	1	7	5	COC(=O)[C@](C)(N)C[C@H](C)Sc1nncs1
365633905	ZINC000274356672	ref	2.66	-16.67	0	260.301	1.255	2	5	6	Cc1ncc(NC(=O)CCCCc2c[nH]nn2)cn1
365633909	ZINC000274356672	mid	2.58	-13.66	0	260.301	1.255	2	5	6	Cc1ncc(NC(=O)CCCCc2cn[nH]n2)cn1
365633915	ZINC000274356856	ref	4.5	-35.77	1	266.414	1.515	1	4	4	CS[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1[NH+](C)C
178301342	ZINC000082796573	ref	7.36	-49.69	1	266.344	2.821	2	1	2	Cc1ccccc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21
178301345	ZINC000082796573	high	5.93	-9.52	0	266.344	2.821	2	2	2	Cc1ccccc1NC(=O)[C@@H]1CNCc2ccccc21
342078711	ZINC000625297078	high	1.46	-6.3	0	250.342	1.398	3	4	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1cccnc1
365633917	ZINC000274356856	high	2.65	-4.97	0	266.414	1.515	0	5	4	CS[C@@H]1CN([C@H](C)c2cnccn2)C[C@H]1N(C)C
342078712	ZINC000608854382	ref	7.68	-21.71	0	270.336	1.931	1	4	5	CC(C)C[C@H](C#N)NC(=O)Cc1cn2ccccc2n1
365633923	ZINC000274352908	ref	5.73	-8.19	0	263.337	1.835	1	4	5	COC(=O)[C@H](NC[C@@H]1CCOC1)c1ccccc1C
178301350	ZINC000082796567	ref	4.4	-54.33	1	262.309	0.553	2	3	4	COC(=O)CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21
365633929	ZINC000274352908	low	6.71	-41.26	1	263.337	1.835	1	3	5	COC(=O)[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1C
349534670	ZINC000621233446	ref	3.67	-13.81	0	271.401	2.059	1	3	7	CC[C@@](C)(CO)C(=O)N1CC[C@@H](OCCC(C)C)C1
365633934	ZINC000274353854	ref	3.56	-43.44	1	297.424	1.372	2	3	3	C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@@H+]1C
185088236	ZINC000096072179	ref	6.67	-32.04	1	265.328	2.205	1	2	3	CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3ccccc3F)C2)C1
185088237	ZINC000096072179	mid	6.36	-31.49	1	265.328	2.205	1	2	3	CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccccc3F)C2)C1
185088238	ZINC000096072179	mid	3.59	-4.47	0	265.328	2.205	0	3	3	CO[C@@H]1CO[C@@]2(CCN(Cc3ccccc3F)C2)C1
398248710	ZINC000651460126	ref	7.53	-7.42	0	250.386	3.149	1	1	1	C[C@H]1CC(C)(C)CN1C(=O)NC1CC2(CCC2)C1
282122374	ZINC000151652198	ref	4.46	-10.84	0	311.447	2.285	2	4	7	Cc1ccsc1CCCC(=O)NCC1(CO)CCOCC1
282122378	ZINC000151656924	ref	5.46	-14.94	0	318.417	2.205	1	4	5	COc1cccc(N2CC[C@@H](CNC(=O)[C@@H]3CC[C@H](C)O3)C2)c1
282122388	ZINC000151648863	ref	8.38	-17.35	0	320.355	2.436	0	2	6	CCC(=O)N1CC[C@H](C(=O)N(CCC(F)(F)F)CC2CC2)C1
185088243	ZINC000096074590	ref	2.95	-8.76	0	280.393	1.685	0	4	1	CN1CCOCC12CCN(C(=O)c1ccsc1)CC2
282122391	ZINC000151653117	ref	8.21	-11.39	0	304.434	2.454	0	3	6	CC[C@@H](C)OCC(=O)N1CCN(Cc2cccc(C)c2)CC1
342595489	ZINC000616966615	ref	3.54	-18.89	0	275.352	1.151	2	3	5	CCCN(C)c1ccc(C(=O)N[C@H]2CCNC2=O)cc1
342595490	ZINC000616966664	ref	4.47	-21.55	0	290.363	1.582	2	3	5	CC(C)c1cccc(O[C@H](C)C(=O)N[C@@H]2CCNC2=O)c1
185088244	ZINC000096074590	mid	5.2	-41.55	1	280.393	1.685	1	3	1	C[N@@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2
365633889	ZINC000641601804	ref	2.46	-7.49	0	256.256	1.057	1	4	2	C[C@@H]1CN(c2cc(C(N)=O)ncn2)CCC1(F)F
185088245	ZINC000096074590	mid	5.2	-43.14	1	280.393	1.685	1	3	1	C[N@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2
342595491	ZINC000616966493	ref	4.0	-18.96	0	296.754	1.745	2	3	4	CC(C)Oc1ccc(Cl)cc1C(=O)N[C@H]1CCNC1=O
197592644	ZINC000162810442	ref	3.78	-8.62	0	322.988	2.351	1	3	2	CC(C)(Br)C(=O)Nc1cnc(Br)cn1
187169563	ZINC000125098849	ref	5.17	-10.65	0	297.42	2.158	1	4	8	Cc1ccc(CC(=O)NCCCOC[C@@H]2CCOC2)s1
365633896	ZINC000641601023	ref	3.9	-15.07	0	264.325	1.096	1	5	7	COCC[C@@H](COC)Nc1ccc2c(n1)C(=O)CC2
185088246	ZINC000096073924	ref	4.27	-23.32	0	274.324	0.561	0	4	1	CN1CC[C@]2(CCCN(C(=O)c3ccnnc3)C2)C1=O
342595492	ZINC000616966122	ref	4.78	-22.08	0	285.347	1.208	2	3	4	CCn1cc(CC(=O)N[C@H]2CCNC2=O)c2ccccc21
185088247	ZINC000096073093	ref	8.62	-32.95	1	265.397	2.447	1	2	5	C1CC1CO[C@H]1COC2(CC[NH+](CC3CC3)CC2)C1
187169564	ZINC000125101289	ref	5.18	-40.44	1	286.778	2.289	1	2	5	C[C@H](CN1CCOCC1)[NH2+]Cc1cccc(Cl)c1F
187169565	ZINC000125101289	high	3.8	-5.79	0	286.778	2.289	1	3	5	C[C@H](CN1CCOCC1)NCc1cccc(Cl)c1F
214184742	ZINC000053483456	ref	8.78	-11.5	0	344.48	3.723	1	3	7	CCc1ccsc1C(=O)NCc1ccc(C(=O)N(CC)CC)cc1
214184746	ZINC000053475110	ref	8.93	-13.23	0	325.408	3.901	1	3	6	CCOc1ccc(C(=O)N[C@@H]2CCc3ccccc32)cc1OCC
214184753	ZINC000053491830	ref	4.21	-13.9	0	325.434	1.456	1	3	3	CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1
282122367	ZINC000422794077	ref	7.72	-118.73	2	274.452	3.461	2	0	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccccc1
214184756	ZINC000053476624	ref	4.82	-20.12	0	325.455	1.71	1	4	4	O=C(CS[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCc2ccccc21
214184760	ZINC000053484951	ref	11.36	-15.26	0	338.386	3.11	1	4	4	O=C(NCC1(c2ccc(F)cc2)CCCC1)c1cn2cccnc2n1
214184764	ZINC000053492780	ref	7.95	-13.77	0	343.88	2.946	1	3	7	CCN(Cc1ccc(Cl)s1)C(=O)NCCCN1CCCC1=O
214184768	ZINC000053475270	ref	6.6	-10.94	0	326.396	2.838	2	3	5	CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCc2ccccc21
214184772	ZINC000053491169	ref	6.19	-13.11	0	335.835	2.698	2	2	4	NC(=O)C1CCN(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1
214184777	ZINC000053482986	ref	1.38	-65.59	-1	348.322	1.462	2	6	3	O=C(Nc1ccccc1-n1cccn1)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
214184784	ZINC000053482986	low	3.2	-21.47	0	348.322	1.462	3	6	3	O=C(Nc1ccccc1-n1cccn1)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
214184786	ZINC000053479951	ref	6.82	-16.41	0	332.448	1.916	1	4	6	CCCCNC(=O)C1CCN(C(=O)c2ccc(N(C)C)nc2)CC1
214184791	ZINC000053492347	ref	6.44	-21.13	0	342.403	1.235	2	5	4	C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(-n2cncn2)cc1
342595493	ZINC000616966497	ref	2.5	-16.58	0	258.277	1.36	2	3	2	Cc1ccc2oc(C(=O)N[C@@H]3CCNC3=O)cc2c1
214184794	ZINC000053477928	ref	10.68	-24.34	0	349.39	2.324	1	5	5	O=C1O[C@@H](C(=O)NCCCn2cnc3ccccc32)Cc2ccccc21
214184799	ZINC000053478011	ref	4.25	-17.41	0	338.458	1.822	2	6	3	CN(C)c1nc2sc(C(=O)N[C@@H]3CCCCNC3=O)cc2s1
214184803	ZINC000053492031	ref	5.96	-16.38	0	333.457	2.535	2	3	5	O=C(NCCCN1CCCC1=O)N[C@@H]1CCSc2ccccc21
282122369	ZINC000422794077	high	7.34	-40.76	1	274.452	3.461	2	1	7	CCC(CC)(C[NH2+][C@H]1CCC[C@@H]1CN)c1ccccc1
282122372	ZINC000263094539	ref	9.65	-36.58	0	267.413	3.436	1	2	7	CCC(CC)(C[NH2+][C@H]1CCCC[C@@H]1C1CC1)C(=O)[O-]
187169566	ZINC000125095601	ref	5.15	-8.32	0	289.31	2.286	2	3	4	CCc1n[nH]c(=O)c(C(=O)Nc2cccc(F)c2)c1CC
190493574	ZINC000269428753	ref	10.64	-19.62	0	285.347	2.439	1	4	4	O=C(Nc1nccn1Cc1ccccc1)[C@@H]1CCCCO1
342595494	ZINC000616966279	ref	3.44	-17.17	0	264.3	1.009	2	2	4	C[C@@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCNC1=O
342595495	ZINC000616966644	ref	4.46	-22.07	0	274.32	1.094	2	3	5	O=C(N[C@@H]1CCNC1=O)c1ccccc1OCC1CC1
365633890	ZINC000354703799	ref	7.3	-44.51	1	292.427	1.483	2	4	4	Cn1ccnc1N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1
365633895	ZINC000354703799	low	7.72	-93.21	2	292.427	1.483	2	3	4	Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)C2CCCCC2)CC1
365633899	ZINC000354703799	high	4.97	-9.09	0	292.427	1.483	1	5	4	Cn1ccnc1N1CCN(C[C@@H](O)C2CCCCC2)CC1
342595496	ZINC000616966665	ref	4.51	-20.94	0	290.363	1.582	2	3	5	CC(C)c1cccc(O[C@@H](C)C(=O)N[C@H]2CCNC2=O)c1
282122368	ZINC000248969130	mid	9.01	-47.48	1	310.438	1.812	2	3	4	COC(=O)[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)C[C@@H]1C
365633903	ZINC000354705374	ref	4.6	-16.6	0	281.352	1.866	1	2	4	O=C(C/C=C\c1cccc(F)c1)N[C@@H]1CC[S@](=O)C1
365633907	ZINC000354704968	ref	4.38	-8.53	0	296.333	1.895	0	3	4	CC[C@@H]1CO[C@H](C)CN1C(=O)[C@H](C)N(C)CC(F)(F)F
349534671	ZINC000621493953	ref	7.93	-9.61	0	298.377	3.109	1	1	3	C[C@]12CN(C(=O)NCC[C@@H]3CC3(F)F)C[C@H]1[C@@H]1CC[C@H]2C1
349534676	ZINC000621491454	ref	8.6	-14.41	0	294.345	3.467	1	1	4	C[C@@H](NC(=O)N1CC(CC2CC2)C1)c1cccc(F)c1F
365633913	ZINC000354704271	ref	3.61	-43.66	1	295.387	1.234	2	4	5	CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cn(C)nc2OC)C1
349534681	ZINC000621494575	ref	7.6	-9.96	0	286.366	3.252	1	1	3	CC1(C)CN(C(=O)NCC[C@@H]2CC2(F)F)[C@H]2CCC[C@@H]21
365633918	ZINC000354704271	mid	3.62	-43.49	1	295.387	1.234	2	4	5	CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cn(C)nc2OC)C1
365633924	ZINC000354704349	ref	2.75	-14.74	0	266.341	1.265	2	4	9	CC[C@H](O)CCCNC(=O)COCc1cccnc1
365633930	ZINC000354704649	ref	4.76	-16.33	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1C[C@@H]1c1c(F)cccc1F
365633937	ZINC000354705179	ref	6.3	-16.46	0	272.352	1.887	1	4	5	CCc1ccc(C(=O)NCCn2ccnc2C)c(C)n1
199273342	ZINC000294964709	ref	6.1	-43.29	1	259.397	2.147	1	2	5	Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1
365633941	ZINC000354705179	mid	6.76	-39.97	1	272.352	1.887	1	3	5	CCc1ccc(C(=O)NCCn2cc[nH+]c2C)c(C)n1
343993858	ZINC000139284557	mid	1.7	-103.87	2	185.271	0.422	3	1	3	C[C@H]1C[N@@H+](CCC(N)=[NH2+])[C@@H](C)CO1
343993859	ZINC000599269492	low	4.35	-36.42	1	290.367	1.96	2	5	5	Cc1nc([C@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CC2)no1
342078713	ZINC000608854382	low	7.97	-36.93	1	270.336	1.931	1	3	5	CC(C)C[C@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1
290622476	ZINC000492521293	ref	5.37	-16.77	0	269.304	2.446	1	4	4	COc1cncc(/C=C\C(=O)Nc2ccc(C)cn2)c1
342078714	ZINC000046502271	ref	5.59	-43.22	1	276.384	1.118	2	3	5	CC(C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1
349534674	ZINC000621232126	ref	8.7	-17.75	0	294.31	2.236	0	5	2	O=c1c2ccccc2ncn1C[C@@H]1COc2ccccc2O1
136229185	ZINC000292803833	ref	4.1	-8.03	0	202.685	1.933	1	1	3	C=C(Cl)CNC(=O)N1CC[C@H]1CC
178301341	ZINC000019737153	ref	5.93	-49.63	1	229.327	2.647	2	1	1	Cc1cc2nc(C3CC[NH2+]CC3)[nH]c2cc1C
290622478	ZINC000492520965	ref	3.09	-10.37	0	261.321	2.091	2	3	4	O=C(/C=C\c1ccc(O)cc1)NC[C@H]1CCCCO1
185088251	ZINC000096074586	ref	4.51	-43.33	1	275.352	1.018	1	3	1	C[N@@H+]1CCOCC12CCN(C(=O)c1ccncc1)CC2
185088252	ZINC000096074586	mid	4.51	-44.76	1	275.352	1.018	1	3	1	C[N@H+]1CCOCC12CCN(C(=O)c1ccncc1)CC2
185088253	ZINC000096074586	mid	2.27	-9.25	0	275.352	1.018	0	4	1	CN1CCOCC12CCN(C(=O)c1ccncc1)CC2
185088254	ZINC000096072308	ref	3.08	-14.78	0	291.351	0.582	1	5	4	CNC(=O)CO[C@H]1CO[C@@]2(CCN(c3cccnc3)C2)C1
365633901	ZINC000172893486	ref	1.4	-22.09	0	299.392	1.426	2	4	5	Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)CO)cc1C
178301344	ZINC000019737153	low	6.39	-93.84	2	229.327	2.647	2	0	1	Cc1cc2[nH]c(C3CC[NH2+]CC3)[nH+]c2cc1C
185088255	ZINC000096074032	ref	7.41	-16.69	0	272.348	2.052	0	2	1	CC(=O)N1CCC[C@]2(CCN(c3ccccc3)C2=O)C1
290622479	ZINC000492520309	ref	6.41	-12.31	0	267.288	2.331	1	4	4	CC(=O)c1ccc(NC(=O)C=Cc2ccncn2)cc1
290622481	ZINC000492520381	ref	5.58	-40.25	1	286.375	2.148	3	2	4	O=C(/C=C\c1ccc(O)cc1)NC1CC[NH+](C2CC2)CC1
282122370	ZINC000248969571	ref	3.65	-12.47	0	312.41	1.692	0	5	3	CC(C)(C)C[C@H]1CN(CN2CCO[C@@]3(CCOC3)C2)C(=O)O1
282122373	ZINC000248969474	ref	5.49	-46.54	1	310.35	1.685	2	5	7	COc1ccc(OCC[N@@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1
136229186	ZINC000292809105	ref	7.69	-10.17	0	248.717	2.653	0	4	3	Cc1nc(N(C)[C@@H](C)CC#N)c(Cl)cc1C#N
349534678	ZINC000621236404	ref	4.97	-13.03	0	299.374	2.412	2	2	6	CC(C)CN(Cc1ccccc1)C(=O)c1c[nH]c(C(N)=O)c1
290622482	ZINC000492520381	high	3.62	-10.11	0	286.375	2.148	2	3	4	O=C(/C=C\c1ccc(O)cc1)NC1CCN(C2CC2)CC1
282122371	ZINC000332192213	ref	3.76	-90.78	2	338.452	-0.639	2	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1
185088259	ZINC000096072984	ref	6.28	-8.85	0	281.396	2.221	0	3	4	COCC[C@H]1COC2(CCN(C(=O)C3CCC3)CC2)C1
398248711	ZINC000647170582	ref	2.9	-40.6	1	237.303	1.144	1	4	6	COc1ncncc1C[NH2+]CC[C@@H]1CCCO1
282122381	ZINC000332192213	high	1.25	-49.79	1	338.452	-0.639	1	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCO1
199273013	ZINC000181260730	ref	5.88	-9.86	0	317.433	2.972	2	3	2	Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@H](O)C1
282122387	ZINC000332648960	ref	4.03	-45.37	1	338.452	-0.528	1	4	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCN3CCCC[C@H]3C2)CCO1
185088262	ZINC000096073326	ref	6.49	-11.35	0	262.353	2.056	0	3	1	C[C@H]1CO[C@]2(CCCN(C(=O)c3cccn3C)C2)C1
185088263	ZINC000096073383	ref	5.53	-7.13	0	263.385	2.437	1	3	3	CC(C)[C@@H]1CO[C@]2(CCCN(Cc3c[nH]cn3)C2)C1
185088264	ZINC000096073383	mid	8.29	-31.41	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
199273015	ZINC000181262133	ref	5.69	-7.93	0	320.433	2.167	0	4	8	CO[C@@H](C)CCC(=O)N(CCN1CCOCC1)c1ccccc1
185088265	ZINC000096073383	mid	7.84	-33.5	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
185088266	ZINC000096073383	low	7.93	-38.77	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
185088267	ZINC000096073383	low	8.14	-40.61	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
185088268	ZINC000096073383	high	5.45	-6.26	0	263.385	2.437	1	3	3	CC(C)[C@@H]1CO[C@]2(CCCN(Cc3cnc[nH]3)C2)C1
293078450	ZINC000360598155	ref	6.96	-9.78	0	253.386	2.552	0	2	5	COC[C@H](C)[C@H](C)C(=O)N1CC(C)(C)[C@@H]1C1CC1
398248712	ZINC000647170582	high	1.52	-5.5	0	237.303	1.144	1	5	6	COc1ncncc1CNCC[C@@H]1CCCO1
185088270	ZINC000096074316	ref	4.53	-12.11	0	296.396	1.002	0	6	2	CN(C)C(=O)[C@H]1COC2(CCN(c3nncs3)CC2)C1
185088271	ZINC000096072449	ref	4.77	-39.46	1	278.352	1.34	1	4	5	COCC[N@@H+]1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
185088272	ZINC000096072449	mid	4.56	-39.43	1	278.352	1.34	1	4	5	COCC[N@H+]1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
185088273	ZINC000096072449	high	2.36	-6.46	0	278.352	1.34	0	5	5	COCCN1CC[C@@]2(C[C@H](Oc3cccnc3)CO2)C1
185088274	ZINC000096072838	ref	9.4	-42.97	1	283.375	2.489	1	3	3	c1ccc(C[N@@H+]2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1
185088275	ZINC000096072838	mid	9.38	-42.87	1	283.375	2.489	1	3	3	c1ccc(C[N@H+]2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1
365633904	ZINC000641599262	ref	4.52	-17.12	0	281.381	1.013	1	5	4	O=S1(=O)CCC[C@H](CNc2cc(C3CC3)ncn2)C1
342595497	ZINC000616966117	ref	3.82	-17.42	0	278.377	1.805	2	3	4	CC(C)Sc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
214184745	ZINC000337621450	ref	8.52	-42.83	1	291.326	2.183	2	3	6	CC[NH+](CC)CC(=O)Nc1cc(-c2ccccc2F)on1
282122375	ZINC000248969474	mid	5.85	-42.33	1	310.35	1.685	2	5	7	COc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1
282122377	ZINC000248969474	high	3.57	-13.22	0	310.35	1.685	1	6	7	COc1ccc(OCCN2CC[C@H](C)[C@@H]2CO)c([N+](=O)[O-])c1
342595498	ZINC000616966492	ref	4.0	-19.07	0	296.754	1.745	2	3	4	CC(C)Oc1ccc(Cl)cc1C(=O)N[C@@H]1CCNC1=O
187169567	ZINC000125092666	ref	6.56	-6.08	0	265.307	3.032	1	3	5	CCn1nccc1CN[C@@H](C)c1ccc(F)cc1F
282122380	ZINC000248971241	ref	3.49	-37.23	1	306.406	1.152	3	3	7	COCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1
365633916	ZINC000641599324	ref	4.92	-15.56	0	262.288	1.846	2	4	4	O=c1[nH]cnc2ccc(NCCC3(F)CCC3)nc12
214184747	ZINC000337621450	mid	6.45	-10.44	0	291.326	2.183	1	4	6	CCN(CC)CC(=O)Nc1cc(-c2ccccc2F)on1
187169568	ZINC000125092666	mid	7.6	-49.45	1	265.307	3.032	1	2	5	CCn1nccc1C[NH2+][C@@H](C)c1ccc(F)cc1F
342595499	ZINC000616966589	ref	2.99	-19.02	0	264.3	1.108	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1ccccc1F
187169569	ZINC000125099092	ref	5.18	-10.81	0	297.42	2.158	1	4	8	Cc1ccc(CC(=O)NCCCOC[C@H]2CCOC2)s1
185088276	ZINC000096072838	low	9.91	-98.83	2	283.375	2.489	1	2	3	c1ccc(C[N@@H+]2CC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1
214184750	ZINC000337624278	ref	0.84	-46.66	-1	282.325	0.7	2	5	7	O=C(COc1ccsc1)NCCCc1n[nH]c(=O)[n-]1
214184754	ZINC000337624278	low	1.99	-18.34	0	282.325	0.7	3	5	7	O=C(COc1ccsc1)NCCCc1n[nH]c(=O)[nH]1
365633922	ZINC000641601821	ref	2.09	-7.01	0	256.256	1.565	2	4	4	NC(=O)c1cc(NC2(C(F)F)CCCC2)ncn1
365633926	ZINC000641600709	ref	7.12	-10.89	0	274.368	1.844	1	4	2	CC(=O)N1C[C@H]2[C@@H](Nc3ncncc3C)CCC[C@H]2C1
365633931	ZINC000641601230	ref	4.33	-9.01	0	271.769	1.927	1	3	3	O=C(CCc1cc(Cl)cs1)N1C[C@H]2C[C@@]2(O)C1
342595500	ZINC000616966254	ref	3.8	-23.42	0	296.754	1.42	2	3	4	Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@H]2CCNC2=O)c1
214184758	ZINC000337620550	ref	7.59	-10.73	0	287.407	2.444	1	3	5	CC(C)[C@H]1CCN(C(=O)c2ccc(NCC3CC3)nc2)C1
342595501	ZINC000616966131	ref	3.85	-15.5	0	258.321	1.031	2	2	3	Cc1cccc(C2(C(=O)N[C@@H]3CCNC3=O)CC2)c1
178301353	ZINC000082796567	high	2.87	-14.88	0	262.309	0.553	2	4	4	COC(=O)CCNC(=O)[C@H]1CNCc2ccccc21
185088277	ZINC000096072838	low	9.9	-99.38	2	283.375	2.489	1	2	3	c1ccc(C[N@H+]2CC[C@]3(C[C@H](n4cc[nH+]c4)CO3)C2)cc1
342078715	ZINC000046502271	mid	3.17	-10.08	0	276.384	1.118	1	4	5	CC(C)NC(=O)CCN1CCN(c2ccccn2)CC1
214184762	ZINC000337623252	ref	-1.66	-10.54	0	282.3	0.14	3	5	5	C[C@@H](NC(=O)NCc1cc(C(N)=O)no1)[C@@H]1CCCO1
185088278	ZINC000096072838	high	7.0	-7.86	0	283.375	2.489	0	4	3	c1ccc(CN2CC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1
342078716	ZINC000625297432	ref	5.92	-41.46	1	284.4	1.125	1	3	4	CC(=O)N1CC[N@H+](CCOC2CCOCC2)C(C)(C)C1
214184766	ZINC000337622425	ref	8.36	-44.04	1	278.4	2.233	2	3	6	CC[NH+](CC)CC(=O)Nc1c2c(nn1C(C)C)CCC2
214184769	ZINC000337622425	mid	6.3	-11.39	0	278.4	2.233	1	4	6	CCN(CC)CC(=O)Nc1c2c(nn1C(C)C)CCC2
214184771	ZINC000337621481	ref	9.98	-34.42	1	268.445	3.146	1	1	8	CC[NH+](CC)CC(=O)N(CCC(C)C)C1CCCC1
214184774	ZINC000337621481	high	8.0	-6.77	0	268.445	3.146	0	2	8	CCN(CC)CC(=O)N(CCC(C)C)C1CCCC1
323004512	ZINC000566535706	ref	6.54	-8.92	0	208.309	1.849	0	4	3	CCc1nnc(N2CCC[C@@H]2C)n1CC
282122376	ZINC000340489680	ref	5.32	-54.25	1	319.467	1.911	1	4	7	CCC(CC)(C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)OC
214184782	ZINC000337622948	ref	3.35	-14.17	0	296.195	2.164	0	3	3	O=C(c1ccncc1C(F)(F)F)N1CC(OC(F)F)C1
214184785	ZINC000337622067	ref	3.99	-12.22	0	277.368	2.257	2	3	4	CC(C)CNC(=O)N[C@@H]1CCCO[C@H]1c1ccncc1
214184788	ZINC000337620658	ref	9.37	-13.52	0	298.39	2.487	2	3	6	CC[C@@H]1C[C@@]1(NC(=O)CCc1nnc[nH]1)c1cccc(C)c1
214184790	ZINC000337620658	mid	8.98	-12.67	0	298.39	2.487	2	3	6	CC[C@@H]1C[C@@]1(NC(=O)CCc1nc[nH]n1)c1cccc(C)c1
214184792	ZINC000337624101	ref	2.33	-14.64	0	289.763	0.621	1	5	7	Cc1nn(CC(=O)N(C)CCOCCO)c(C)c1Cl
214184796	ZINC000337622266	ref	1.89	-6.62	0	259.346	0.803	1	4	7	COC1(C(=O)N(C)CCOCCO)CCCCC1
178301358	ZINC000082797981	ref	3.65	-47.36	0	260.384	2.124	1	5	5	Cc1csc(S[C@@H](C)C[C@](C)([NH3+])C(=O)[O-])n1
290623562	ZINC000492530804	ref	7.71	-14.89	0	259.353	2.489	1	2	4	Cc1cc(=NC(=O)/C=C/C2CC2)[nH]n1[C@@H](C)C1CC1
214184802	ZINC000337623010	ref	7.65	-8.16	0	287.216	3.128	2	2	2	Cc1cc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)ccc1F
282122379	ZINC000336794160	ref	6.04	-37.07	1	257.418	2.985	1	2	7	CCC(CC)(C[NH2+][C@H]1CCO[C@H](C(C)C)C1)OC
349535957	ZINC000594973700	ref	8.05	-59.08	1	270.304	2.831	1	3	7	COc1ccc(C[NH2+]CCC(C)(C)F)cc1[N+](=O)[O-]
185088279	ZINC000096073358	ref	6.97	-10.77	0	274.364	2.503	0	3	2	CC[C@H]1CO[C@]2(CCCN(C(=O)c3ccccn3)C2)C1
178301357	ZINC000237197443	mid	8.04	-101.7	2	358.486	1.474	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)c2)CC1
185088280	ZINC000096073327	ref	6.49	-11.29	0	262.353	2.056	0	3	1	C[C@@H]1CO[C@]2(CCCN(C(=O)c3cccn3C)C2)C1
185088281	ZINC000096074954	ref	6.19	-34.92	1	275.396	1.687	1	3	2	Cc1cccc(CN2CCO[C@@]3(CCC[N@@H+](C)C3)C2)n1
185088282	ZINC000096074954	mid	5.97	-38.04	1	275.396	1.687	1	3	2	Cc1cccc(CN2CCO[C@@]3(CCC[N@H+](C)C3)C2)n1
185386249	ZINC000096747953	ref	5.86	-11.49	0	316.382	2.972	1	4	2	Cc1scc(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)c1C
178301361	ZINC000237197443	high	4.48	-15.18	0	358.486	1.474	2	4	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C)CCCCN3)c2)CC1
187169570	ZINC000125101708	ref	5.86	-8.2	0	272.414	2.091	1	3	3	CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)C[C@H](C)O1
185088285	ZINC000096074954	high	3.76	-5.46	0	275.396	1.687	0	4	2	Cc1cccc(CN2CCO[C@@]3(CCCN(C)C3)C2)n1
185088286	ZINC000096072962	ref	5.18	-9.03	0	275.352	1.898	0	4	2	CC[C@H]1COC2(CCN(C(=O)c3cnccn3)CC2)C1
185088287	ZINC000096072105	ref	5.47	-12.58	0	292.379	1.683	0	4	4	COCC[C@H]1CO[C@]2(CCN(C(=O)c3cccn3C)C2)C1
178301364	ZINC000237193397	ref	3.9	-57.96	1	360.52	1.064	1	4	8	COCCCN(C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1
178301367	ZINC000237189572	ref	5.39	-9.07	0	353.26	1.927	1	3	4	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1COCCN1
178301371	ZINC000237189572	mid	6.59	-38.36	1	353.26	1.927	1	2	4	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]1COCC[NH2+]1
214184778	ZINC000293572683	high	0.98	-52.42	-1	359.448	0.496	1	7	7	COC(=O)C1(CS(=O)(=O)[N-]C[C@H](O)c2cnn(C)c2)CCCCC1
214184781	ZINC000293581812	ref	5.66	-20.95	0	350.448	0.681	0	7	3	CC[C@@H]1CN(C(=O)c2nnn(-c3ccn(C)n3)c2C)C[C@H](C)[S@]1=O
178301373	ZINC000237178455	ref	7.67	-51.95	1	352.523	1.912	2	2	6	C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CCCN(C(=O)NCC(C)C)C2)C1
178301377	ZINC000237184257	ref	1.54	-41.77	1	355.744	1.485	2	4	9	COCC[NH2+]CC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl
185088288	ZINC000096072428	ref	3.77	-12.89	0	296.392	1.748	0	5	3	CC(=O)N1CC[C@@]2(C[C@@H](OCc3csc(C)n3)CO2)C1
178301382	ZINC000237184257	high	0.19	-9.56	0	355.744	1.485	2	5	9	COCCNCC(=O)NCCOc1ncc(C(F)(F)F)cc1Cl
185088289	ZINC000096074101	ref	8.99	-43.38	1	276.355	2.27	1	1	2	C[N@@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1
168364678	ZINC000368495091	ref	10.13	-12.05	0	339.414	3.337	0	3	5	O=C1CCCN1CC[C@@H]1CN(Cc2cncc(F)c2)c2ccccc21
168364682	ZINC000368499793	ref	8.61	-43.49	1	338.492	3.279	1	3	3	CC(C)(C)OC(=O)N1CCC(CC[N@@H+]2CCC[C@]23CCOC3)CC1
168364685	ZINC000368499793	mid	8.62	-42.95	1	338.492	3.279	1	3	3	CC(C)(C)OC(=O)N1CCC(CC[N@H+]2CCC[C@]23CCOC3)CC1
168364688	ZINC000368497000	ref	9.12	-34.92	1	328.387	3.251	1	2	5	C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc(Oc2ccccc2)c1
342595502	ZINC000616966052	ref	3.97	-18.5	0	289.379	1.54	2	3	5	CCN(c1ccc(C(=O)N[C@@H]2CCNC2=O)cc1)C(C)C
187169571	ZINC000125096846	ref	0.11	-11.34	0	268.288	1.51	3	3	3	C[C@@]1(NC(=O)NCc2ccc(O)c(F)c2)CCOC1
342595503	ZINC000616966225	ref	3.13	-17.5	0	276.336	1.023	2	3	6	CCOc1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1
361823447	ZINC000616604793	mid	2.73	-56.15	1	256.309	1.26	2	2	1	NC(=O)N1CC[NH2+]C[C@@H]1c1nccc2ccccc12
342595504	ZINC000616966666	ref	4.47	-21.81	0	290.363	1.582	2	3	5	CC(C)c1cccc(O[C@H](C)C(=O)N[C@H]2CCNC2=O)c1
187169572	ZINC000125096846	high	0.87	-48.27	-1	268.288	1.51	2	3	3	C[C@@]1(NC(=O)NCc2ccc([O-])c(F)c2)CCOC1
178301359	ZINC000031943792	ref	8.31	-7.18	0	228.339	4.227	1	1	1	Cc1cc2nc(C3CCCCC3)[nH]c2cc1C
187169573	ZINC000125097789	ref	4.36	-15.07	0	281.315	2.455	2	3	2	Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cn1
178301363	ZINC000031943792	low	8.78	-25.09	1	228.339	4.227	1	0	1	Cc1cc2[nH]c(C3CCCCC3)[nH+]c2cc1C
187169574	ZINC000125098979	ref	4.07	-10.48	0	284.356	2.178	2	3	3	CN(C(=O)NCc1ccc(O)c(F)c1)[C@H]1CCSC1
197592656	ZINC000162808904	ref	5.34	-16.43	0	320.349	1.892	2	4	3	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCNC(=O)[C@H]1C(C)C
342595505	ZINC000616966494	ref	4.05	-20.57	0	291.738	1.299	2	3	3	O=C(Cn1ccc2ccc(Cl)cc21)N[C@@H]1CCNC1=O
178301368	ZINC000227149635	ref	2.12	-6.86	0	218.264	0.818	4	4	0	Cc1cc2[nH]c(=NN)c(=NN)[nH]c2cc1C
187169575	ZINC000125098979	high	4.83	-45.99	-1	284.356	2.178	1	3	3	CN(C(=O)NCc1ccc([O-])c(F)c1)[C@H]1CCSC1
168366029	ZINC000054161312	ref	0.53	-38.53	1	193.206	1.219	1	4	3	C[C@@H]([NH3+])Cc1noc(-c2ccco2)n1
323004513	ZINC000126991567	ref	5.28	-10.27	0	231.361	1.623	0	3	5	CS[C@@H](C)CC(=O)N(C)C[C@H]1CCOC1
361823453	ZINC000616604816	ref	4.77	-58.81	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+]C[C@H]1c1cccc2cnccc12
361823457	ZINC000616604816	mid	3.49	-10.36	0	255.321	1.728	1	3	1	CC(=O)N1CCNC[C@H]1c1cccc2cnccc12
185088290	ZINC000096074101	mid	9.26	-34.1	1	276.355	2.27	1	1	2	C[N@H+]1CCC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1
185088291	ZINC000096074227	ref	10.35	-77.37	2	290.411	1.865	2	3	4	Cn1cc[nH+]c1N[C@@H]1COC2(CC[NH+](CC3CC3)CC2)C1
185088292	ZINC000096074227	high	9.89	-41.24	1	290.411	1.865	2	4	4	Cn1ccnc1N[C@@H]1COC2(CC[NH+](CC3CC3)CC2)C1
342078717	ZINC000625297432	mid	3.41	-9.31	0	284.4	1.125	1	3	4	CC(=O)N1CC[N@@H+](CCOC2CCOCC2)C(C)(C)C1
342078718	ZINC000625297432	mid	3.41	-9.31	0	284.4	1.125	0	4	4	CC(=O)N1CCN(CCOC2CCOCC2)C(C)(C)C1
185088293	ZINC000096073510	ref	2.96	-5.28	0	280.343	1.991	0	4	3	CO[C@H]1CO[C@]2(CCCN(Cc3ccncc3F)C2)C1
185088294	ZINC000096073510	mid	5.79	-38.51	1	280.343	1.991	1	3	3	CO[C@H]1CO[C@]2(CCC[N@H+](Cc3ccncc3F)C2)C1
185088295	ZINC000096073510	mid	5.43	-37.35	1	280.343	1.991	1	3	3	CO[C@H]1CO[C@]2(CCC[N@@H+](Cc3ccncc3F)C2)C1
185088296	ZINC000096072934	ref	2.91	-43.14	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@@H+](CCO)C3)C2)n1
185088297	ZINC000096072934	mid	2.68	-43.11	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@H]2CO[C@]3(CC[N@H+](CCO)C3)C2)n1
185088298	ZINC000096072934	high	0.4	-11.81	0	288.351	0.591	2	6	4	N#Cc1cccc(N[C@H]2CO[C@]3(CCN(CCO)C3)C2)n1
299072182	ZINC000567664086	ref	2.94	-48.87	1	256.733	2.272	2	2	4	COc1c(Cl)cccc1NC(=O)C(C)(C)C[NH3+]
185088300	ZINC000096072947	ref	9.81	-36.82	1	259.393	3.12	1	1	3	C[C@@H]1COC2(CC[NH+](CCc3ccccc3)CC2)C1
214184789	ZINC000293576420	ref	2.72	-18.84	0	363.395	0.147	3	6	3	COC(=O)[C@]1(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CCSC1
282122382	ZINC000248971241	mid	3.86	-35.99	1	306.406	1.152	3	3	7	COCc1ccc(CNC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1
342078719	ZINC000625300045	ref	2.74	-14.88	0	279.312	1.052	1	4	5	Cc1ncc(S(=O)(=O)NCC[C@@H]2CC2(F)F)n1C
342078720	ZINC000046513617	ref	7.57	-39.41	1	293.455	1.949	1	2	4	O=C(CCN1CC[NH+](C2CCCC2)CC1)N1CCCCC1
342078721	ZINC000046513617	high	5.42	-7.2	0	293.455	1.949	0	3	4	O=C(CCN1CCN(C2CCCC2)CC1)N1CCCCC1
178301370	ZINC000082796514	ref	5.02	-52.36	1	259.334	1.969	2	3	2	O=C(Nc1nccs1)[C@@H]1C[NH2+]Cc2ccccc21
190493578	ZINC000269424111	ref	3.74	-9.64	0	277.364	2.004	2	3	5	COc1cccc(C2(C(=O)N[C@H](C)CO)CCCC2)c1
185088301	ZINC000096073253	ref	6.18	-46.17	1	278.352	1.605	1	3	2	C[NH+](C)[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
299072185	ZINC000567663483	ref	5.23	-50.52	1	290.407	2.268	1	2	3	Cc1ccccc1[C@@H]1CN(C(=O)C(C)(C)C[NH3+])[C@H](C)CO1
187169576	ZINC000125092405	ref	4.25	-8.26	0	254.355	2.416	1	4	2	CC(C)(C)c1csc(NC(=O)[C@@H]2CCOC2)n1
365633908	ZINC000172888214	ref	4.79	-10.13	0	287.363	1.72	0	5	5	COC[C@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1
365633911	ZINC000172888214	mid	6.54	-46.76	1	287.363	1.72	1	4	5	COC[C@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CCO1
365633914	ZINC000172888214	mid	7.06	-48.57	1	287.363	1.72	1	4	5	COC[C@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CCO1
365633919	ZINC000172892332	ref	8.24	-50.24	1	287.363	1.719	0	5	5	COC[C@H]1CN(Cc2ccc(-n3ccnc3)cc2)CCO1
365633925	ZINC000172892332	mid	8.23	-88.48	2	287.363	1.719	1	4	5	COC[C@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)CCO1
342595506	ZINC000616966071	ref	3.53	-17.33	0	280.755	1.622	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1ccc(Cl)cc1
365633928	ZINC000172892332	mid	8.75	-89.31	2	287.363	1.719	1	4	5	COC[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CCO1
365633933	ZINC000172892332	low	8.23	-88.48	2	287.363	1.719	1	3	5	COC[C@H]1C[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1
365633936	ZINC000172892332	low	8.75	-89.31	2	287.363	1.719	1	3	5	COC[C@H]1C[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)CCO1
365633943	ZINC000172893033	ref	2.09	-8.21	0	256.733	1.582	0	4	4	COC[C@@H]1CN(Cc2cccnc2Cl)CCO1
365633949	ZINC000172890807	ref	3.19	-10.15	0	282.369	1.835	1	4	4	CC(C)n1ncc2ccc(NS(=O)(=O)N(C)C)cc21
365633954	ZINC000172888242	ref	2.74	-8.5	0	279.336	1.305	0	5	4	COC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1
365633959	ZINC000172888242	low	4.49	-43.4	1	279.336	1.305	1	4	4	COC[C@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1
342595507	ZINC000616966251	ref	3.8	-23.17	0	296.754	1.42	2	3	4	Cc1ccc(Cl)c(O[C@@H](C)C(=O)N[C@@H]2CCNC2=O)c1
365633964	ZINC000172888242	low	5.01	-44.07	1	279.336	1.305	1	4	4	COC[C@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1
342595508	ZINC000616966277	ref	3.44	-17.61	0	264.3	1.009	2	2	4	C[C@H](Cc1cccc(F)c1)C(=O)N[C@@H]1CCNC1=O
214184795	ZINC000293577410	ref	3.56	-20.07	0	365.455	0.494	0	5	4	CN1C(=O)C[C@H](C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)[C@H]1c1cccnc1
349534679	ZINC000594969053	ref	8.87	-46.55	1	298.386	2.565	1	3	6	COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1ccnc2ccccc12
282122383	ZINC000408003719	ref	5.35	-44.11	1	263.345	0.112	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)CC2
342595509	ZINC000616966542	ref	3.04	-22.48	0	296.754	1.504	2	3	6	O=C(CCCOc1ccccc1Cl)N[C@@H]1CCNC1=O
185088302	ZINC000096073253	high	3.67	-8.39	0	278.352	1.605	0	4	2	CN(C)[C@@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
365633938	ZINC000274353854	mid	3.95	-42.9	1	297.424	1.372	2	3	3	C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@H+]1C
185088303	ZINC000096072225	ref	4.64	-11.4	0	281.377	1.697	0	4	3	CO[C@@H]1CO[C@@]2(CCN(C(=O)Cc3ccsc3)C2)C1
185088304	ZINC000096072378	ref	9.16	-33.29	1	287.403	2.847	1	2	5	c1ccc(CO[C@H]2CO[C@]3(CC[N@H+](CC4CC4)C3)C2)cc1
178301372	ZINC000082796514	high	3.6	-13.03	0	259.334	1.969	2	4	2	O=C(Nc1nccs1)[C@@H]1CNCc2ccccc21
365633942	ZINC000274353854	mid	1.65	-8.74	0	297.424	1.372	1	4	3	C[C@@H]1C[C@H](N(C)S(=O)(=O)c2cccc(N)c2)CCN1C
342078722	ZINC000625297268	ref	8.52	-11.08	0	282.363	1.815	0	5	6	CCc1nnc(N2CCO[C@@H](CCF)C2)n1CC1CC1
365633948	ZINC000274352915	ref	5.74	-6.8	0	263.337	1.835	1	4	5	COC(=O)[C@H](NC[C@H]1CCOC1)c1ccccc1C
365633952	ZINC000274352915	low	6.74	-40.04	1	263.337	1.835	1	3	5	COC(=O)[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1C
185088305	ZINC000096072378	mid	9.27	-34.45	1	287.403	2.847	1	2	5	c1ccc(CO[C@H]2CO[C@]3(CC[N@@H+](CC4CC4)C3)C2)cc1
185088306	ZINC000096072306	ref	3.08	-16.27	0	291.351	0.582	1	5	4	CNC(=O)CO[C@H]1CO[C@]2(CCN(c3cccnc3)C2)C1
185088307	ZINC000096072903	ref	4.09	-15.12	0	276.336	1.03	0	4	3	CO[C@@H]1CO[C@@]2(CCN(C(=O)Cc3ccccn3)C2)C1
343993860	ZINC000625558748	ref	7.99	-32.2	1	223.36	2.676	1	1	2	C[C@H]1COC2(CCCC2)C[N@H+]1C[C@H]1C[C@H]1C
185088309	ZINC000096073442	ref	4.99	-11.87	0	293.363	2.327	0	4	4	COCC[C@H]1CO[C@]2(CCCN(C(=O)c3ccoc3)C2)C1
185088310	ZINC000096074593	ref	5.37	-35.93	1	289.423	2.077	1	3	3	CCN1CCOCC12CC[NH+](Cc1cccc(C)n1)CC2
185088311	ZINC000096074593	mid	5.07	-34.03	1	289.423	2.077	1	3	3	CC[N@@H+]1CCOCC12CCN(Cc1cccc(C)n1)CC2
185088312	ZINC000096074593	mid	5.05	-33.66	1	289.423	2.077	1	3	3	CC[N@H+]1CCOCC12CCN(Cc1cccc(C)n1)CC2
185088313	ZINC000096074593	high	2.98	-5.11	0	289.423	2.077	0	4	3	CCN1CCOCC12CCN(Cc1cccc(C)n1)CC2
282122384	ZINC000248971241	high	1.37	-9.83	0	306.406	1.152	2	4	7	COCc1ccc(CNC(=O)CN2CC[C@@H](C)[C@@H]2CO)cc1
342078723	ZINC000625297202	ref	2.2	-14.83	0	281.337	1.035	2	4	6	COCc1ccccc1S(=O)(=O)NCc1c[nH]cn1
343993863	ZINC000625558748	mid	8.14	-31.49	1	223.36	2.676	1	1	2	C[C@H]1COC2(CCCC2)C[N@@H+]1C[C@H]1C[C@H]1C
365633956	ZINC000274355213	ref	2.64	-41.07	1	295.408	1.172	3	3	4	C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(N)c2)C[N@@H+]1C1CC1
349534680	ZINC000093283932	low	2.93	-43.83	1	290.371	0.683	1	6	5	CCc1nc(CN2CC[NH+](Cc3ccnn3C)CC2)no1
214184797	ZINC000278485607	ref	6.09	-13.3	0	320.303	1.692	1	5	5	CN(Cc1ncnn1CC(F)F)C(=O)c1cccc2[nH]ncc12
187169577	ZINC000125092330	ref	6.17	-14.62	0	292.335	2.201	1	5	4	CCOc1cccc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)c1[N+](=O)[O-]
214184801	ZINC000278485607	mid	6.17	-18.36	0	320.303	1.692	1	5	5	CN(Cc1ncnn1CC(F)F)C(=O)c1cccc2n[nH]cc12
214184804	ZINC000278486541	ref	7.0	-10.68	0	303.406	2.433	1	2	3	CC(C)[C@@H]1CN(C(=O)N[C@H](C)C(=O)N(C)C)c2ccccc21
187169578	ZINC000125101991	ref	4.44	-39.2	1	297.33	2.283	3	3	5	CC[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC)c1)[NH+](C)C
349534682	ZINC000093260250	ref	4.71	-9.82	0	294.355	0.581	1	5	6	CCOCCN(C)C(=O)C(=O)Nc1ccc(N(C)C)nc1
214184807	ZINC000278486144	ref	7.12	-38.78	-1	310.716	2.823	2	4	3	O=C(Nc1nnc(C2CCC2)[nH]1)c1cc(F)c([O-])c(Cl)c1
214184810	ZINC000278486144	mid	6.55	-37.36	-1	310.716	2.823	2	4	3	O=C(Nc1nc(C2CCC2)n[nH]1)c1cc(F)c([O-])c(Cl)c1
214184812	ZINC000278486144	mid	6.58	-43.99	-1	310.716	2.823	2	4	3	O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(F)c([O-])c(Cl)c1
214184816	ZINC000278486014	ref	6.17	-56.43	-1	306.387	2.816	0	4	4	COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccc(C)cn1
342078724	ZINC000625297202	mid	2.17	-13.51	0	281.337	1.035	2	4	6	COCc1ccccc1S(=O)(=O)NCc1cnc[nH]1
214184818	ZINC000278486014	low	6.28	-13.86	0	306.387	2.816	1	4	4	COc1cc(C)cc(C)c1S(=O)(=O)Nc1ccc(C)cn1
214184822	ZINC000278484924	ref	4.94	-18.54	0	321.327	1.575	1	4	3	Cn1nccc1CC(=O)N1C[C@H](O)C[C@H]1c1cc(F)ccc1F
187169579	ZINC000125101991	mid	2.57	-8.23	0	297.33	2.283	2	4	5	CC[C@H](C(=O)Nc1ccc(F)c(NC(=O)OC)c1)N(C)C
214184826	ZINC000278485443	ref	7.36	-8.94	0	300.358	3.431	1	4	3	COc1cc(C)c(NC(=O)c2noc3c2CCCC3)cc1C
214184830	ZINC000278485015	ref	1.43	-30.86	0	324.331	2.493	1	4	6	FC(F)c1nnc([N-][C@@H](C[NH+]2CCOCC2)c2ccccc2)o1
342078725	ZINC000625297202	low	2.68	-45.1	1	281.337	1.035	2	3	6	COCc1ccccc1S(=O)(=O)NCc1c[nH+]c[nH]1
128584720	ZINC000336811808	ref	5.6	-43.21	1	281.318	2.645	1	2	5	FC(F)(F)[C@@H]1C[C@H]([NH2+]CCOC2CCCC2)CCO1
342078726	ZINC000625297202	low	2.66	-45.21	1	281.337	1.035	2	3	6	COCc1ccccc1S(=O)(=O)NCc1c[nH]c[nH+]1
342078727	ZINC000031853044	ref	7.23	-14.16	0	251.315	1.784	1	7	4	Cc1cc(CSc2nnc(N)n2C2CC2)no1
365633939	ZINC000641601249	ref	2.75	-11.42	0	277.32	1.219	1	4	3	COc1cc(C)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1OC
342078728	ZINC000625297145	ref	7.71	-14.14	0	295.383	1.306	0	3	6	CC[C@@H](C)[C@H](C)N(C(=O)CN1CC(=O)N(C)C1=O)C1CC1
199273014	ZINC000294964012	ref	5.98	-10.0	0	294.07	3.182	1	1	2	O=C(Nc1cc(F)ccc1Br)[C@H]1CC1(F)F
398248713	ZINC000651459399	ref	8.83	-7.44	0	262.397	3.151	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H](C2CC2)C1
398248716	ZINC000651459443	ref	9.05	-8.86	0	274.408	3.293	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC2(CCC2)[C@@H]1C1CC1
398248719	ZINC000651460254	ref	7.54	-6.78	0	252.402	3.443	2	1	3	C[C@H](CC(C)(C)C)NC(=O)NC1CC2(CCC2)C1
398248720	ZINC000651459068	ref	5.8	-6.53	0	281.44	3.259	2	2	3	CC(C)(O)C1CCC(C(=O)N[C@@H]2CCCC2(C)C)CC1
398248723	ZINC000651460215	ref	9.26	-8.59	0	274.408	3.149	1	1	3	O=C(NC1CC2(CCC2)C1)N1C[C@H](C2CC2)[C@@H]1C1CC1
398248726	ZINC000651460054	ref	8.06	-10.64	0	274.339	3.184	1	1	1	O=C(NC1CC2(CCC2)C1)N1Cc2cccc(F)c2C1
136229187	ZINC000184911982	ref	7.43	-6.15	0	231.339	3.214	1	1	5	C=C(C)C[C@@H](C)C(=O)NCc1ccc(C)cc1
398249443	ZINC000651466740	ref	6.11	-30.58	1	298.515	3.37	2	2	7	C[C@@H](CCCCO)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1
342078729	ZINC000625296831	ref	7.72	-11.06	0	294.399	1.492	0	6	6	CCc1nnc(N2CCO[C@](C)(COC)C2)n1CC1CC1
398249446	ZINC000651466495	ref	7.06	-8.86	0	277.364	3.006	0	3	2	C[C@@H]1CC[C@@H](C(=O)N2CCO[C@H](c3ccco3)C2)CC1
398249455	ZINC000651467972	ref	6.29	-8.85	0	291.782	3.341	1	4	4	COc1cc(CN[C@@H]2C[C@H](C)n3ccnc32)ccc1Cl
178301388	ZINC000062529936	ref	4.23	-45.55	1	230.311	2.912	1	2	1	Cc1cc2nc(C3CC[NH2+]CC3)oc2cc1C
398249460	ZINC000651467972	mid	7.6	-50.0	1	291.782	3.341	1	3	4	COc1cc(C[NH2+][C@@H]2C[C@H](C)n3ccnc32)ccc1Cl
398249464	ZINC000651466265	ref	5.97	-39.91	1	264.398	3.08	1	4	5	CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cnc(C)s2)cn1
365633946	ZINC000641601499	ref	-1.32	-43.01	-1	271.361	1.642	0	5	8	CCC(C)(C)c1n[n-]c(=N[C@@H](CCOC)COC)o1
199273017	ZINC000294964026	ref	9.18	-39.32	1	288.435	3.355	1	1	5	CCC[NH2+][C@@H](C)C(=O)N1CCC[C@H]1c1cccc(C)c1C
136229188	ZINC000184911961	ref	7.52	-6.01	0	231.339	3.214	1	1	5	C=C(C)C[C@H](C)C(=O)NCc1ccc(C)cc1
136229189	ZINC000184916217	ref	5.94	-5.69	0	223.341	2.967	1	2	5	C=C(C)C[C@H](C)C(=O)NCc1cccs1
398249469	ZINC000651466265	mid	5.01	-8.98	0	264.398	3.08	1	5	5	CCn1cc([C@@H](C)N[C@@H](C)c2cnc(C)s2)cn1
398249475	ZINC000651467834	ref	5.77	-36.3	1	274.311	3.184	1	3	5	Cc1cc([C@@H](C)[NH2+]C2CCC(OC(F)F)CC2)no1
178301379	ZINC000082797173	ref	4.4	-8.61	0	256.4	2.219	1	6	5	CN[C@@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1
365633940	ZINC000623065525	ref	6.29	-56.09	1	315.381	1.185	2	5	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@H](C)[NH2+][C@H](C)C1
282122385	ZINC000447887944	ref	7.28	-41.68	1	338.37	2.109	1	3	7	CCC(CC)(C[NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)OC
185088318	ZINC000096072162	ref	7.91	-36.88	1	275.396	2.169	1	3	3	Cn1cc([C@H]2CO[C@]3(CC[N@H+](CC4CCC4)C3)C2)cn1
185088319	ZINC000096072162	mid	7.87	-38.17	1	275.396	2.169	1	3	3	Cn1cc([C@H]2CO[C@]3(CC[N@@H+](CC4CCC4)C3)C2)cn1
343993861	ZINC000139259807	ref	2.0	-101.55	2	185.271	0.279	2	2	3	C[C@@H](CN1CCO[C@H](C)C1)C(N)=[NH2+]
185088321	ZINC000096073423	ref	2.83	-7.06	0	279.384	1.817	1	4	5	COCC[C@@H]1CO[C@]2(CCCN(Cc3cc[nH]n3)C2)C1
185088322	ZINC000096073423	mid	5.53	-34.69	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@]2(CCC[N@H+](Cc3cc[nH]n3)C2)C1
185088323	ZINC000096073423	mid	5.24	-35.92	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)C1
365633944	ZINC000623065525	mid	5.09	-20.12	0	315.381	1.185	2	6	2	Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@H](C)N[C@H](C)C1
365633953	ZINC000623065771	ref	4.72	-52.09	1	309.414	1.383	2	4	7	CC[NH2+]CC1CCN(C(=O)Nc2cnn(CCOC)c2)CC1
290622484	ZINC000453442038	ref	10.33	-12.51	0	324.428	3.107	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3Cc4ccccc4C4(CC4)C3)n2C)O1
290622493	ZINC000453450929	ref	8.62	-12.03	0	292.427	2.926	0	5	2	C[C@H]1CC[C@@H](c2nnc(N3C[C@H](C)C[C@@H](C)[C@H]3C)n2C)O1
290622497	ZINC000335618248	ref	7.07	-6.52	0	256.143	2.972	0	2	1	C[C@H]1CC[C@@H](n2cc(Br)ccc2=O)C1
178301381	ZINC000082797173	low	4.49	-48.89	1	256.4	2.219	1	5	5	C[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1
343993866	ZINC000139259807	mid	2.03	-102.13	2	185.271	0.279	3	1	3	C[C@@H](C[N@@H+]1CCO[C@H](C)C1)C(N)=[NH2+]
282122392	ZINC000447887944	high	6.24	-13.06	0	338.37	2.109	1	4	7	CCC(CC)(CN[C@H]1CCCN(CC(F)(F)F)C1=O)C(=O)OC
282122395	ZINC000263105038	ref	9.93	-40.83	0	267.413	3.436	1	2	7	CCC(CC)(C[NH2+][C@H]1CCC[C@H](C2CC2)C1)C(=O)[O-]
282122399	ZINC000424411872	ref	9.26	-35.42	0	253.386	3.19	1	2	6	CCC(CC)(C[NH2+][C@H]1CCCC12CCC2)C(=O)[O-]
282122401	ZINC000263081731	ref	5.11	-47.96	0	305.44	1.823	1	4	7	CCC(CC)(C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)C(=O)[O-]
282122404	ZINC000263017572	ref	7.98	-85.3	1	268.401	2.094	2	2	6	CCC(CC)(C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C(=O)[O-]
185088337	ZINC000096074953	ref	6.03	-38.57	1	275.396	1.687	1	3	2	Cc1cccc(CN2CCO[C@]3(CCC[N@@H+](C)C3)C2)n1
343993869	ZINC000139259807	mid	2.0	-101.55	2	185.271	0.279	3	1	3	C[C@@H](C[N@H+]1CCO[C@H](C)C1)C(N)=[NH2+]
365633947	ZINC000354704193	ref	1.68	-15.85	0	278.23	1.378	2	3	5	C[C@H](CC(F)(F)F)NC(=O)c1ccoc1CC(N)=O
349534684	ZINC000594969422	ref	5.07	-8.12	0	286.331	2.637	1	5	7	COC[C@@H](NCc1ccc(C#N)o1)c1cccc(OC)c1
349534690	ZINC000594969422	mid	6.16	-51.37	1	286.331	2.637	1	4	7	COC[C@@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(OC)c1
365633951	ZINC000354703963	ref	7.58	-11.69	0	266.385	1.892	0	2	2	C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)CN2CCCCC2=O)C1
365633955	ZINC000354705379	ref	4.69	-23.55	0	281.352	1.866	1	2	4	O=C(C/C=C\c1cccc(F)c1)N[C@@H]1CC[S@@](=O)C1
365633961	ZINC000354705499	ref	2.75	-30.55	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@H+](CCC[C@@H](C)O)CC1(C)C
214184798	ZINC000293581477	ref	4.24	-19.29	0	361.373	0.791	2	4	4	O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3CF)cc2)C(=O)N1
349534695	ZINC000594968745	ref	6.92	-43.84	1	297.439	2.639	2	3	8	COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C)C2(CO)CC2)C1
342595510	ZINC000616966395	ref	3.81	-19.68	0	278.377	1.805	2	3	4	CC(C)Sc1ccccc1C(=O)N[C@@H]1CCNC1=O
365633967	ZINC000354705499	mid	2.6	-31.51	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@@H+](CCC[C@@H](C)O)CC1(C)C
365633968	ZINC000354705499	mid	2.75	-30.55	1	286.46	1.705	3	3	8	C[C@H](O)CCC[N@H+]1CCN(CCC[C@@H](C)O)CC1(C)C
365633972	ZINC000354705499	mid	2.6	-31.51	1	286.46	1.705	3	3	8	C[C@H](O)CCC[N@@H+]1CCN(CCC[C@@H](C)O)CC1(C)C
365633978	ZINC000354704947	ref	3.26	-8.36	0	263.337	1.612	2	3	8	O=C(CCOCC1CC1)NCc1cccc(CO)c1
349534700	ZINC000594969830	ref	6.88	-50.36	1	283.412	2.913	1	1	4	Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1F
349534703	ZINC000594969830	high	6.08	-11.22	0	283.412	2.913	1	2	4	Cc1cccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1F
197592665	ZINC000162811653	ref	11.08	-21.78	0	300.337	2.796	1	4	3	C/C(=C/C(=O)Nc1nnc2n1CCCC2)c1ccc(F)cc1
342595511	ZINC000616966614	ref	3.53	-18.98	0	275.352	1.151	2	3	5	CCCN(C)c1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
349534706	ZINC000594969915	ref	6.16	-53.54	1	298.308	2.828	2	2	5	C[C@@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1
365633984	ZINC000354704348	ref	2.75	-14.76	0	266.341	1.265	2	4	9	CC[C@@H](O)CCCNC(=O)COCc1cccnc1
190493588	ZINC000269426079	ref	2.39	-12.88	0	261.325	1.213	2	3	3	CC(C)c1ccc(C(=O)N[C@@H]2CCC(=O)NC2)cn1
365633989	ZINC000354704270	ref	3.63	-43.5	1	295.387	1.234	2	4	5	CC[N@H+](C)C[C@H]1CCN(C(=O)Nc2cn(C)nc2OC)C1
342595512	ZINC000616966380	ref	4.23	-15.74	0	272.348	1.285	2	2	2	C[C@]1(C(=O)N[C@@H]2CCNC2=O)CCCc2ccccc21
178301384	ZINC000237181615	ref	6.18	-51.15	1	359.47	1.671	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)/C=C/c2ccc(OC)cc2)C1
282122386	ZINC000248969560	ref	5.53	-17.89	0	318.373	1.03	1	4	3	C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@@H](C)[C@H]2CO)C1=O
178301387	ZINC000237199758	ref	3.94	-55.1	1	358.46	1.965	2	5	7	COC(=O)c1cc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)c(C)o1
214184805	ZINC000337623010	mid	7.58	-7.0	0	287.216	3.128	2	2	2	Cc1cc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)ccc1F
178301390	ZINC000237197048	ref	5.22	-46.06	1	370.291	1.628	2	3	8	COCC[NH2+]CC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1
178301393	ZINC000237197048	high	3.88	-11.06	0	370.291	1.628	2	4	8	COCCNCC(=O)NC[C@H]1CCN(c2cccc(Br)c2)C1
214184809	ZINC000337622703	ref	1.57	-9.41	0	293.367	0.453	3	5	9	CCOC[C@H](O)CNC(=O)c1ccc(NCC2CC2)nc1
185088338	ZINC000096074953	mid	6.19	-35.3	1	275.396	1.687	1	3	2	Cc1cccc(CN2CCO[C@]3(CCC[N@H+](C)C3)C2)n1
178301395	ZINC000237191954	ref	7.73	-99.03	2	352.91	1.824	3	2	8	C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1
178301399	ZINC000237191954	mid	5.36	-46.05	1	352.91	1.824	2	3	8	C[NH2+]C[C@@H](C)C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1
178301402	ZINC000237194343	ref	5.69	-53.47	1	358.486	1.474	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1
178301405	ZINC000237194343	mid	8.04	-96.5	2	358.486	1.474	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1
306234650	ZINC000557898934	mid	7.58	-22.73	0	348.451	1.597	1	6	10	CCc1nncn1CCNC(=O)N(C)CCCN(C)Cc1ccco1
365633950	ZINC000641601605	ref	6.07	-8.86	0	296.172	1.88	0	5	4	Cc1cncnc1N(C)CCn1cc(Br)cn1
214184813	ZINC000337623940	ref	-4.81	-16.07	0	291.189	-0.035	5	5	3	O=C(Cc1[nH]c(O)nc1O)Nc1ncc(C(F)(F)F)[nH]1
178301408	ZINC000237194343	high	4.47	-15.37	0	358.486	1.474	2	4	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)CC1
178301411	ZINC000237191675	ref	7.18	-49.64	1	361.486	1.908	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccccc2OC)C(C)C)C1
178301416	ZINC000237184859	ref	3.59	-58.63	1	359.474	1.912	2	5	5	COc1nn(C)c2nc(C)c(CCC(=O)NC3CCC([NH3+])CC3)c(C)c12
185386250	ZINC000096749664	ref	9.72	-55.55	-1	308.337	3.368	1	4	5	O=C(CCn1ccc2ccccc21)Nc1ccc(C(=O)[O-])cc1
343993862	ZINC000079914586	mid	7.75	-56.87	1	264.329	2.134	2	4	5	C[C@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)C1
187169580	ZINC000125094208	ref	1.65	-16.62	0	299.689	1.406	3	3	2	O=C1CC[C@@H](NC(=O)Nc2ccc(F)cc2Cl)C(=O)N1
136229190	ZINC000232473448	ref	4.17	-35.27	1	220.316	1.999	2	2	3	c1cc2c(o1)CCC[C@@H]2NC[C@@H]1CCC[NH2+]1
349534685	ZINC000621241626	ref	6.5	-10.61	0	266.247	2.147	1	3	3	O=c1[nH]c2ccccc2c(=O)n1CC[C@H]1CC1(F)F
349534687	ZINC000621234480	ref	5.95	-9.05	0	288.351	2.254	1	4	6	CCOc1ccc(CN(C(=O)c2cn[nH]n2)C(C)C)cc1
349534692	ZINC000621233679	ref	6.18	-9.03	0	299.802	2.351	0	4	5	CC(C)CCO[C@@H]1CCN(C(=O)c2c(Cl)cnn2C)C1
187169581	ZINC000125095664	ref	-2.74	-7.83	0	259.35	-0.223	3	4	6	CC[C@H](CO)NC(=O)NC[C@H](C)N1CCOCC1
185386251	ZINC000096748056	ref	2.16	-13.17	0	311.407	2.203	4	4	4	CC(C)(C)OC(=O)NCCNC(=S)Nc1ccccc1O
349534696	ZINC000621238080	ref	6.72	-13.54	0	298.39	2.072	0	4	2	O=C(C1=CCCC1)N1CCc2nnc(N3CCCC3)cc2C1
185088342	ZINC000096074953	high	3.75	-5.61	0	275.396	1.687	0	4	2	Cc1cccc(CN2CCO[C@]3(CCCN(C)C3)C2)n1
185088344	ZINC000096072452	ref	7.31	-39.97	1	288.391	2.494	1	3	4	c1cncc(O[C@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)c1
185088346	ZINC000096072452	mid	7.38	-39.4	1	288.391	2.494	1	3	4	c1cncc(O[C@H]2CO[C@@]3(CC[N@H+](CC4CCC4)C3)C2)c1
187169582	ZINC000125095664	low	-0.7	-41.06	1	259.35	-0.223	4	3	6	CC[C@H](CO)NC(=O)NC[C@H](C)[NH+]1CCOCC1
185088349	ZINC000096074124	ref	6.23	-47.77	1	292.383	0.745	1	4	2	Cn1ccc(C(=O)N2CCC3(CC2)C[C@H]([NH+](C)C)CO3)n1
187169583	ZINC000125095803	ref	4.83	-46.18	1	262.357	1.888	1	4	7	CCn1nccc1C[NH2+]C[C@H](c1ccco1)N(C)C
185088350	ZINC000096074124	high	3.79	-11.23	0	292.383	0.745	0	5	2	CN(C)[C@@H]1COC2(CCN(C(=O)c3ccn(C)n3)CC2)C1
349535958	ZINC000602431472	low	7.72	-105.28	2	239.363	1.189	2	2	6	C[C@@H](CCC#N)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1
185088352	ZINC000096073385	ref	5.64	-9.21	0	263.385	2.437	1	3	3	CC(C)[C@@H]1CO[C@@]2(CCCN(Cc3c[nH]cn3)C2)C1
342078730	ZINC000046502623	ref	6.13	-44.39	1	262.353	1.819	2	2	8	C=CCOc1ccc(C[N@@H+](C)CCC(=O)NC)cc1
185088353	ZINC000096073385	mid	8.09	-34.15	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
187169584	ZINC000125095803	high	3.51	-6.9	0	262.357	1.888	1	5	7	CCn1nccc1CNC[C@H](c1ccco1)N(C)C
342078731	ZINC000046502623	mid	6.13	-44.48	1	262.353	1.819	2	2	8	C=CCOc1ccc(C[N@H+](C)CCC(=O)NC)cc1
342078732	ZINC000046502623	high	3.81	-8.98	0	262.353	1.819	1	3	8	C=CCOc1ccc(CN(C)CCC(=O)NC)cc1
365633957	ZINC000641600985	ref	2.62	-6.74	0	288.351	1.113	1	5	3	NC(=O)c1cc(N2CC3(CCC3)[C@@H]2[C@@H]2CCCO2)ncn1
398248714	ZINC000053097500	ref	6.49	-23.54	1	212.362	2.792	2	2	2	CCCNC1=[NH+]C2(CCCCC2)CS1
398248721	ZINC000053097500	high	5.79	-2.98	0	212.362	2.792	1	3	2	CCCNC1=NC2(CCCCC2)CS1
398248724	ZINC000266881419	ref	5.05	-5.65	0	239.25	2.671	2	4	3	Nc1c([N+](=O)[O-])ccc(NC2CCCC2)c1F
398248728	ZINC000286141186	ref	1.43	-43.22	1	237.303	-0.822	3	2	4	C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1
398248731	ZINC000286141186	mid	1.37	-43.16	1	237.303	-0.822	3	2	4	C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1
398248733	ZINC000286141186	high	-1.02	-13.47	0	237.303	-0.822	2	3	4	C#CCNC(=O)[C@H](C)N1C[C@@H](C)[C@H](C(N)=O)C1
398248735	ZINC000286146520	ref	6.52	-38.82	1	220.316	1.117	1	1	4	C#CC(C)(C)[N@H+](C)[C@@H]1CCN(CC=C)C1=O
342595513	ZINC000616966035	ref	3.69	-20.65	0	296.754	1.42	2	3	4	Cc1cc(O[C@@H](C)C(=O)N[C@@H]2CCNC2=O)ccc1Cl
187169585	ZINC000125098765	ref	4.14	-10.42	0	284.356	2.178	2	3	3	CN(C(=O)NCc1ccc(O)c(F)c1)[C@@H]1CCSC1
398248738	ZINC000286146520	mid	6.6	-38.22	1	220.316	1.117	1	1	4	C#CC(C)(C)[N@@H+](C)[C@@H]1CCN(CC=C)C1=O
398248739	ZINC000286146520	mid	4.33	-10.18	0	220.316	1.117	0	2	4	C#CC(C)(C)N(C)[C@@H]1CCN(CC=C)C1=O
398248741	ZINC000334512909	ref	3.67	-9.69	0	242.319	0.491	0	3	1	CC(C)N(C)C(=O)C(=O)N1CCOC(C)(C)C1
187169586	ZINC000125098765	high	4.9	-46.19	-1	284.356	2.178	1	3	3	CN(C(=O)NCc1ccc([O-])c(F)c1)[C@@H]1CCSC1
398248744	ZINC000399006455	ref	3.11	-8.54	0	245.326	1.859	1	4	1	Cc1cc(N2CC[C@@H](O)C(C)(C)C2)c(C#N)cn1
398248745	ZINC000399006455	low	3.52	-42.65	1	245.326	1.859	1	3	1	Cc1cc(N2CC[C@@H](O)C(C)(C)C2)c(C#N)c[nH+]1
342595514	ZINC000616966132	ref	3.84	-17.67	0	258.321	1.031	2	2	3	Cc1cccc(C2(C(=O)N[C@H]3CCNC3=O)CC2)c1
398248746	ZINC000286172068	ref	5.91	-6.95	0	219.284	2.463	1	2	3	C#C[C@H](C)NC(=O)c1cc(C(C)C)oc1C
178305828	ZINC000360727721	ref	7.53	-10.39	0	230.311	2.69	0	3	2	Cc1cc2ncn(CC3(C)COC3)c2cc1C
214184808	ZINC000053466659	ref	4.16	-15.86	0	341.367	2.624	3	4	6	CCOC(=O)Nc1ccc(NC(=O)CNC(=O)c2ccccc2)cc1
197592670	ZINC000290091710	ref	2.87	-11.92	0	281.345	0.273	0	9	5	Cn1ncc(CSc2nnnn2C[C@@H]2CCCO2)n1
398248749	ZINC000399007942	ref	9.94	-41.85	1	242.366	3.277	1	1	5	C[C@@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC1(C)C
398248751	ZINC000399007950	ref	10.08	-41.15	1	242.366	3.277	1	1	5	C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@H]1CC1(C)C
398248754	ZINC000286173216	ref	2.63	-11.47	0	221.304	0.496	1	2	2	C#CCN1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C
214184814	ZINC000293573935	ref	8.25	-18.38	0	351.403	0.452	0	7	7	CCOC(=O)[C@]1(COC)CCCN(C(=O)CCn2cnccc2=O)C1
214184821	ZINC000293582130	ref	1.58	-20.25	0	357.432	0.639	3	5	6	COC(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@H]2NS(C)(=O)=O)[nH]1
282122389	ZINC000408003719	mid	4.92	-46.82	1	263.345	0.112	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CC2
282122390	ZINC000408003719	mid	2.47	-14.21	0	263.345	0.112	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C)CC2
342078733	ZINC000625296907	ref	8.14	-9.49	0	264.373	1.723	0	5	6	CCc1nnc(N(C)CC2(C)COC2)n1CC1CC1
342078734	ZINC000077829193	ref	5.71	-43.72	1	297.443	1.978	3	2	7	O=C(NCCCC[NH+]1CCOCC1)NCC1CCCCC1
214184827	ZINC000293577062	ref	5.92	-24.8	0	366.443	0.259	1	7	7	Cc1ccc(S(=O)(=O)C[C@H](C)NC(=O)CCn2ncn(C)c2=O)cc1
214184834	ZINC000293581474	ref	4.24	-17.58	0	361.373	0.791	2	4	4	O=C1C[C@H](Cc2ccc(NC(=O)C(=O)N3CCC[C@H]3CF)cc2)C(=O)N1
178301394	ZINC000082798507	ref	2.3	-42.53	1	251.392	1.214	1	3	9	CCC[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)CCOC
214184840	ZINC000293581088	ref	4.08	-12.83	0	369.228	0.864	0	4	4	C[C@H](C[S@](C)=O)N(C)C(=O)c1cnn(C)c1I
342078735	ZINC000077829193	mid	3.32	-9.37	0	297.443	1.978	2	3	7	O=C(NCCCCN1CCOCC1)NCC1CCCCC1
342078736	ZINC000046503352	ref	7.25	-39.29	1	281.444	1.663	1	2	5	CC(C)C[NH+]1CCN(CCC(=O)N2CCCCC2)CC1
342078737	ZINC000046503352	high	5.2	-6.89	0	281.444	1.663	0	3	5	CC(C)CN1CCN(CCC(=O)N2CCCCC2)CC1
342078738	ZINC000625296939	ref	2.89	-15.53	0	295.364	1.514	2	4	5	COc1ccc(S(=O)(=O)NCc2c[nH]cn2)c(C)c1C
342078739	ZINC000625296939	mid	2.85	-14.13	0	295.364	1.514	2	4	5	COc1ccc(S(=O)(=O)NCc2cnc[nH]2)c(C)c1C
214184844	ZINC000293582505	ref	3.79	-54.37	1	366.487	0.936	2	4	4	CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)cn1
214184849	ZINC000293582505	mid	4.12	-53.96	1	366.487	0.936	2	4	4	CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)cn1
342078740	ZINC000625296939	low	3.36	-45.12	1	295.364	1.514	2	3	5	COc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c(C)c1C
214184853	ZINC000293582965	ref	2.95	-16.38	0	370.475	0.57	1	6	6	Cc1cc(N2CCC[C@H](NS(=O)(=O)CC[C@@H]3CCOC3)C2=O)n(C)n1
342078741	ZINC000625296939	low	3.35	-45.13	1	295.364	1.514	2	3	5	COc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c(C)c1C
342078742	ZINC000608854627	ref	5.17	-13.81	0	298.383	1.139	2	4	5	CCOC(=O)C1CCC(NC(=O)C(C)(C)NC(C)=O)CC1
185088355	ZINC000096073385	mid	7.94	-33.48	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
187169587	ZINC000125101980	ref	5.34	-8.61	0	270.279	2.606	1	2	1	C[C@@H]1OCCN(C(=O)Nc2ccc(F)c(F)c2)[C@@H]1C
178301392	ZINC000071475542	ref	4.81	-5.93	0	202.044	2.345	0	3	0	Cc1cc2nc(Cl)cc(Cl)n2n1
185088356	ZINC000096073385	low	7.73	-40.83	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
187169588	ZINC000125099543	ref	4.45	-6.52	0	258.163	2.462	1	3	5	C=C(Br)CN[C@@H](C)c1cnn(CC)c1
342595515	ZINC000616966640	ref	2.54	-22.23	0	291.351	1.097	3	3	5	CCCc1c(C(=O)N[C@@H]2CCNC2=O)[nH]c(C)c1C(C)=O
282122393	ZINC000332648960	mid	6.29	-96.27	2	338.452	-0.528	2	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCO1
185386252	ZINC000096748056	high	2.93	-45.93	-1	311.407	2.203	3	4	4	CC(C)(C)OC(=O)NCCNC(=S)Nc1ccccc1[O-]
185088358	ZINC000096073385	low	8.24	-39.74	1	263.385	2.437	2	2	3	CC(C)[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
342595516	ZINC000616966118	ref	3.82	-17.4	0	278.377	1.805	2	3	4	CC(C)Sc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
178301397	ZINC000034936062	ref	7.32	-40.23	1	249.383	2.887	2	3	4	Cc1cc2nc(NCC[NH+](C)C)sc2cc1C
185088360	ZINC000096073385	high	5.91	-7.97	0	263.385	2.437	1	3	3	CC(C)[C@@H]1CO[C@@]2(CCCN(Cc3cnc[nH]3)C2)C1
185088362	ZINC000096072150	ref	8.91	-41.16	1	297.402	2.569	1	3	3	Cn1cc(C[N@@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)cn1
342595517	ZINC000616966068	ref	2.53	-17.1	0	250.323	1.244	2	3	3	O=C(N[C@H]1CCNC1=O)c1sccc1C1CC1
365633960	ZINC000623065986	ref	2.82	-52.62	1	316.361	1.176	3	3	2	CN(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@@H]1CCC[NH2+]CC1
185088363	ZINC000096072150	mid	8.91	-40.6	1	297.402	2.569	1	3	3	Cn1cc(C[N@H+]2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)cn1
185088365	ZINC000096072150	mid	6.44	-7.15	0	297.402	2.569	0	4	3	Cn1cc(CN2CC[C@]3(C[C@H](c4ccccc4)CO3)C2)cn1
185088366	ZINC000096072312	ref	2.29	-15.83	0	292.339	-0.023	1	6	4	CNC(=O)CO[C@H]1CO[C@@]2(CCN(c3cnccn3)C2)C1
187169589	ZINC000125099543	mid	5.64	-39.52	1	258.163	2.462	1	2	5	C=C(Br)C[NH2+][C@@H](C)c1cnn(CC)c1
185088368	ZINC000096072310	ref	2.28	-17.98	0	292.339	-0.023	1	6	4	CNC(=O)CO[C@H]1CO[C@]2(CCN(c3cnccn3)C2)C1
349534686	ZINC000621491797	ref	6.45	-9.5	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2CC(C)(C)C[C@H]2C)c1
342595518	ZINC000616966495	ref	4.06	-22.77	0	291.738	1.299	2	3	3	O=C(Cn1ccc2ccc(Cl)cc21)N[C@H]1CCNC1=O
187169590	ZINC000125094382	ref	3.97	-13.82	0	274.324	1.4	2	5	5	CNC(=O)c1ccc(OC)c(NCc2cncn2C)c1
365633962	ZINC000274355213	mid	3.05	-40.1	1	295.408	1.172	3	3	4	C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(N)c2)C[N@H+]1C1CC1
365633965	ZINC000274355213	mid	0.42	-8.9	0	295.408	1.172	2	4	4	C[C@@H]1C[C@H](NS(=O)(=O)c2cccc(N)c2)CN1C1CC1
365633971	ZINC000274352716	ref	3.25	-8.54	0	251.305	1.273	0	3	3	CN(C)C(=O)[C@H]1CCCN1Cc1cncc(F)c1
199273016	ZINC000181262133	low	8.14	-36.49	1	320.433	2.167	1	3	8	CO[C@@H](C)CCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1
365633975	ZINC000274352716	low	5.7	-43.1	1	251.305	1.273	1	2	3	CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1cncc(F)c1
365633980	ZINC000274352716	low	5.48	-39.52	1	251.305	1.273	1	2	3	CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1cncc(F)c1
365633986	ZINC000274356855	ref	4.31	-34.89	1	266.414	1.515	1	4	4	CS[C@@H]1CN([C@H](C)c2cnccn2)C[C@@H]1[NH+](C)C
365633992	ZINC000274356855	high	2.62	-5.11	0	266.414	1.515	0	5	4	CS[C@@H]1CN([C@H](C)c2cnccn2)C[C@@H]1N(C)C
365633998	ZINC000274353971	ref	1.04	-10.33	0	297.351	1.172	1	6	6	COc1ccc(OC)c2c1CN(CC(OC)OC)C[C@H]2O
365634004	ZINC000274353971	low	2.34	-30.2	1	297.351	1.172	2	5	6	COc1ccc(OC)c2c1C[N@H+](CC(OC)OC)C[C@H]2O
365634009	ZINC000274353971	low	3.29	-35.78	1	297.351	1.172	2	5	6	COc1ccc(OC)c2c1C[N@@H+](CC(OC)OC)C[C@H]2O
187169591	ZINC000125094382	low	4.48	-38.32	1	274.324	1.4	2	4	5	CNC(=O)c1ccc(OC)c(NCc2c[nH+]cn2C)c1
342595519	ZINC000616966097	ref	3.65	-16.74	0	286.331	1.976	2	3	2	Cc1ccc(C)c2c(C)c(C(=O)N[C@@H]3CCNC3=O)oc12
342595520	ZINC000616966602	ref	3.66	-15.52	0	260.337	1.359	2	2	4	CC(C)(CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
342595521	ZINC000616966543	ref	3.05	-22.4	0	296.754	1.504	2	3	6	O=C(CCCOc1ccccc1Cl)N[C@H]1CCNC1=O
365634015	ZINC000274353836	ref	4.15	-33.57	1	292.402	1.432	1	3	4	CC[NH+]1CCN([C@H]2CCN(Cc3cncc(F)c3)C2)CC1
365634019	ZINC000274353836	low	7.02	-95.42	2	292.402	1.432	2	2	4	CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cncc(F)c3)C2)CC1
187169592	ZINC000125101904	ref	7.51	-8.47	0	265.303	3.127	1	1	3	CC1(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CCC1
398248715	ZINC000390783305	ref	4.44	-37.34	1	210.321	1.241	1	1	1	C[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1[NH2+]CC1(C)C
365634024	ZINC000274353836	low	7.1	-95.72	2	292.402	1.432	2	2	4	CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cncc(F)c3)C2)CC1
342595522	ZINC000616966721	ref	3.0	-16.79	0	288.347	1.122	2	3	4	COc1ccc(C2(C(=O)N[C@H]3CCNC3=O)CCC2)cc1
282122394	ZINC000151653117	mid	10.42	-50.14	1	304.434	2.454	1	2	6	CC[C@@H](C)OCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1
185088373	ZINC000096073485	ref	5.44	-39.71	1	291.395	1.586	2	4	3	CC(C)(O)C[N@@H+]1CCC[C@@]2(C[C@H](c3cncnc3)CO2)C1
178301401	ZINC000034936062	high	4.86	-6.53	0	249.383	2.887	1	4	4	Cc1cc2nc(NCCN(C)C)sc2cc1C
185088375	ZINC000096073485	mid	5.64	-39.39	1	291.395	1.586	2	4	3	CC(C)(O)C[N@H+]1CCC[C@@]2(C[C@H](c3cncnc3)CO2)C1
178301404	ZINC000051847962	ref	4.5	-38.06	1	203.289	2.069	2	1	2	Cc1cc2nc(C[C@H](C)[NH3+])[nH]c2cc1C
365633963	ZINC000641600880	ref	2.07	-12.57	0	277.368	1.316	2	4	5	CC(=O)NCC[C@H]1CCCN(c2cc(CO)ccn2)C1
185088379	ZINC000096073365	ref	10.3	-33.27	1	291.41	3.853	1	1	3	CC(C)[C@@H]1CO[C@@]2(CCC[N@H+](Cc3ccccc3F)C2)C1
185088380	ZINC000096073365	mid	10.3	-31.0	1	291.41	3.853	1	1	3	CC(C)[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3ccccc3F)C2)C1
185088382	ZINC000096073365	mid	8.0	-4.39	0	291.41	3.853	0	2	3	CC(C)[C@@H]1CO[C@@]2(CCCN(Cc3ccccc3F)C2)C1
185088384	ZINC000096072545	ref	1.81	-13.63	0	299.334	1.083	0	7	3	c1cnc(O[C@@H]2CO[C@@]3(CCN(c4cnccn4)C3)C2)nc1
185088386	ZINC000096074632	ref	4.26	-35.25	1	290.411	1.486	2	3	4	c1cc(CN2CCC3(CC2)COCC[N@H+]3CC2CC2)n[nH]1
178301409	ZINC000051847962	low	4.31	-104.76	2	203.289	2.069	2	0	2	Cc1cc2[nH]c(C[C@H](C)[NH3+])[nH+]c2cc1C
398248717	ZINC000390783305	high	2.82	-7.0	0	210.321	1.241	1	2	1	C[C@H]1C[C@@H](C)CN1C(=O)[C@@H]1NCC1(C)C
178301418	ZINC000059627544	ref	5.36	-6.09	0	216.071	2.653	0	3	0	Cc1cc2nc(Cl)c(C)c(Cl)n2n1
185088388	ZINC000096074632	mid	4.24	-34.81	1	290.411	1.486	2	3	4	c1cc(CN2CCC3(CC2)COCC[N@@H+]3CC2CC2)n[nH]1
365633970	ZINC000641600880	low	2.36	-39.37	1	277.368	1.316	2	3	5	CC(=O)NCC[C@H]1CCCN(c2cc(CO)cc[nH+]2)C1
185088391	ZINC000096074632	low	6.92	-98.41	2	290.411	1.486	3	2	4	c1cc(C[NH+]2CCC3(CC2)COCC[N@H+]3CC2CC2)n[nH]1
185088392	ZINC000096074632	low	6.9	-100.0	2	290.411	1.486	3	2	4	c1cc(C[NH+]2CCC3(CC2)COCC[N@@H+]3CC2CC2)n[nH]1
185386253	ZINC000096746197	ref	9.04	-13.22	0	319.405	2.655	0	3	3	CCN(CC)C(=O)N1CCCN(C(=O)Oc2ccccc2)CC1
365633976	ZINC000641601079	ref	1.99	-10.41	0	291.413	1.432	1	4	5	CC1(C)C[C@H](NS(=O)(=O)CC[C@H]2CCCCO2)CO1
185386254	ZINC000096752644	ref	0.18	-9.62	0	321.358	1.726	3	7	5	C[C@H](O)CNC(=O)c1csc(Nc2ccc3c(c2)OCO3)n1
185088396	ZINC000096074632	high	3.1	-5.55	0	290.411	1.486	1	4	4	c1cc(CN2CCC3(CC2)COCCN3CC2CC2)n[nH]1
299072183	ZINC000176524338	ref	7.4	-9.89	0	328.42	2.553	1	5	5	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1nnnn1-c1ccccc1
342595523	ZINC000616966557	ref	4.83	-16.26	0	274.364	1.747	2	2	5	CC(C)c1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1
398248718	ZINC000076855543	ref	2.69	-8.44	0	226.251	2.755	2	3	1	CC(C)(C)OC(=O)Nc1ccc(N)c(F)c1
365633966	ZINC000623065986	high	1.01	-80.19	0	316.361	1.176	2	3	2	CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCC[NH2+]CC1
398248722	ZINC000076876755	ref	5.5	-13.49	0	244.294	1.971	1	3	3	CC[C@H](C#N)NC(=O)[C@H]1CCOc2ccccc21
398248725	ZINC000449207432	ref	5.84	-49.08	1	249.358	2.265	1	3	4	C[C@H]1OCC[C@@H]1[NH2+]Cc1ccnn1C1CCCC1
398248727	ZINC000449207432	high	4.64	-6.57	0	249.358	2.265	1	4	4	C[C@H]1OCC[C@@H]1NCc1ccnn1C1CCCC1
365633973	ZINC000623065579	ref	4.61	-52.78	1	321.812	1.993	2	4	5	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC(C)(C)CC[NH3+]
398248729	ZINC000647170590	ref	1.48	-49.08	1	249.314	1.444	3	2	4	C[C@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CO1
365633979	ZINC000623065422	ref	1.41	-53.34	1	311.407	1.352	3	3	3	C[C@H]1C[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1
398248730	ZINC000647170590	high	0.23	-10.19	0	249.314	1.444	3	3	4	C[C@H]1C[C@H](NCc2ccc(NC(N)=O)cc2)CO1
342595524	ZINC000616966121	ref	4.78	-20.37	0	285.347	1.208	2	3	4	CCn1cc(CC(=O)N[C@@H]2CCNC2=O)c2ccccc21
290622488	ZINC000492521013	ref	5.57	-11.76	0	270.279	2.217	0	3	6	CCN(CC(F)F)C(=O)/C=C/c1cncc(OC)c1
398248732	ZINC000647170608	ref	6.08	-43.95	1	249.354	2.49	1	2	6	CCOCc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)cc1
398248734	ZINC000647170608	high	4.85	-4.63	0	249.354	2.49	1	3	6	CCOCc1ccc(CN[C@@H]2CO[C@H](C)C2)cc1
187169595	ZINC000125091574	ref	4.04	-54.46	1	264.222	1.68	2	1	4	CNC(=O)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
365633981	ZINC000623065484	ref	0.39	-45.68	1	311.794	1.26	3	4	3	O=C(NC[C@@H]1C[NH2+]C[C@H]1O)c1nc2cc(Cl)ccc2s1
398248736	ZINC000076866155	ref	4.33	-51.79	1	236.344	1.783	1	4	4	Cc1nc(C)c(C[NH2+]Cc2ccnn2C)s1
178305830	ZINC000360727721	low	8.0	-35.62	1	230.311	2.69	0	2	2	Cc1cc2[nH+]cn(CC3(C)COC3)c2cc1C
398248737	ZINC000076866155	mid	2.95	-9.11	0	236.344	1.783	1	5	4	Cc1nc(C)c(CNCc2ccnn2C)s1
342595525	ZINC000616966567	ref	3.17	-16.71	0	272.304	1.668	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)oc2c(C)cccc12
398248740	ZINC000449207439	ref	5.79	-49.07	1	249.358	2.265	1	3	4	C[C@@H]1OCC[C@H]1[NH2+]Cc1ccnn1C1CCCC1
398248742	ZINC000449207439	high	4.65	-6.3	0	249.358	2.265	1	4	4	C[C@@H]1OCC[C@H]1NCc1ccnn1C1CCCC1
214184815	ZINC000053465557	ref	7.2	-12.68	0	328.412	3.305	2	3	5	CC(=O)N[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)C1CCCC1
342078743	ZINC000625297218	ref	6.57	-44.1	1	290.363	1.427	2	3	2	C[N@@H+]1CCC[C@@H](NC(=O)[C@]2(C)COc3ccccc3O2)C1
342078744	ZINC000625297218	mid	6.03	-41.82	1	290.363	1.427	2	3	2	C[N@H+]1CCC[C@@H](NC(=O)[C@]2(C)COc3ccccc3O2)C1
214184819	ZINC000053475266	ref	8.63	-13.13	0	325.408	3.9	1	3	5	COc1cc(C(=O)N[C@@H]2CCc3ccccc32)ccc1OC(C)C
342078745	ZINC000625297218	mid	3.68	-9.99	0	290.363	1.427	1	4	2	CN1CCC[C@@H](NC(=O)[C@]2(C)COc3ccccc3O2)C1
342078746	ZINC000046511453	ref	5.17	-7.55	0	267.3	1.762	0	4	4	COC(=O)CCN1CCO[C@H](c2ccc(F)cc2)C1
342078747	ZINC000046511453	low	7.6	-47.84	1	267.3	1.762	1	3	4	COC(=O)CC[N@@H+]1CCO[C@H](c2ccc(F)cc2)C1
214184824	ZINC000053488193	ref	6.08	-19.68	0	329.74	1.22	1	5	6	C[C@@H](NC(=O)COc1ccc(Cl)cc1[N+](=O)[O-])C(=O)N(C)C
342078748	ZINC000046511453	low	7.19	-47.76	1	267.3	1.762	1	3	4	COC(=O)CC[N@H+]1CCO[C@H](c2ccc(F)cc2)C1
214184828	ZINC000053492066	ref	8.19	-14.96	0	343.471	2.938	2	2	6	C[C@H](NC(=O)NCCCN1CCCC1=O)c1ccc2c(c1)CCCC2
365633969	ZINC000172890939	ref	5.3	-12.6	0	290.367	1.828	1	5	5	Cc1cc(CNC(=O)[C@H](C)Cc2c(C)nn(C)c2C)on1
342078749	ZINC000600311851	ref	6.03	-53.02	1	280.328	1.385	3	3	4	C[N@@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1
214184833	ZINC000053479038	ref	3.49	-30.58	0	332.809	1.172	1	4	6	CCS(=O)(=O)CC(=O)N(C)CC(=O)Nc1cccc(Cl)c1
214184837	ZINC000053476627	ref	4.79	-21.27	0	325.455	1.71	1	4	4	O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@H]1CCc2ccccc21
342078750	ZINC000600311851	mid	6.11	-52.14	1	280.328	1.385	3	3	4	C[N@H+]1CCCC[C@H](CNC(=O)c2cc([N+](=O)[O-])c[nH]2)C1
342078751	ZINC000046502384	ref	5.47	-42.2	1	250.342	1.653	2	2	7	CCNC(=O)CC[N@H+](C)Cc1cccc(OC)c1
214184842	ZINC000053479892	ref	2.64	-14.49	0	331.42	0.76	3	4	6	O=C(CN1CCC(NC(=O)c2cc(C3CC3)n[nH]2)CC1)NC1CC1
214184846	ZINC000053479892	mid	4.8	-49.81	1	331.42	0.76	4	3	6	O=C(C[NH+]1CCC(NC(=O)c2cc(C3CC3)n[nH]2)CC1)NC1CC1
342078752	ZINC000046502384	mid	5.47	-42.11	1	250.342	1.653	2	2	7	CCNC(=O)CC[N@@H+](C)Cc1cccc(OC)c1
342078753	ZINC000046502384	high	3.15	-8.79	0	250.342	1.653	1	3	7	CCNC(=O)CCN(C)Cc1cccc(OC)c1
342078754	ZINC000625296475	ref	5.77	-49.01	1	264.316	1.259	2	2	8	C[N@H+](CCNC(=O)COCC(F)F)C1CCCC1
187169596	ZINC000125091574	mid	2.69	-10.32	0	264.222	1.68	2	2	4	CNC(=O)CNCc1cc(F)cc(C(F)(F)F)c1
185088398	ZINC000096073390	ref	6.66	-10.45	0	288.391	2.749	0	3	2	CC(C)[C@H]1CO[C@]2(CCCN(C(=O)c3ccncc3)C2)C1
185088400	ZINC000096073432	ref	5.42	-14.22	0	297.395	1.6	0	4	4	COCC[C@H]1CO[C@@]2(CCCN(C(=O)[C@@H]3CCCO3)C2)C1
185088403	ZINC000096072226	ref	1.65	-15.45	0	277.32	1.412	1	4	2	CO[C@H]1CO[C@]2(CCN(C(=O)c3cccc(O)c3)C2)C1
185088405	ZINC000096072226	high	2.41	-59.63	-1	277.32	1.412	0	4	2	CO[C@H]1CO[C@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1
343993864	ZINC000079914586	high	5.53	-11.47	0	264.329	2.134	1	5	5	C[C@H]1CCCN(CCNc2ccc([N+](=O)[O-])nc2)C1
187169597	ZINC000125091681	ref	1.87	-10.0	0	279.34	2.113	2	4	8	C=CCCOCCNC(=O)Nc1ccc(OC)nc1C
365633977	ZINC000172888657	ref	1.69	-19.67	0	285.321	1.619	1	6	5	C[C@@H](O)[C@@H](C)S(=O)(=O)Cc1cc(-c2ccco2)on1
300267432	ZINC000328909107	ref	-0.01	-19.01	0	324.468	-0.223	0	5	3	C[C@H]1CN(C[C@H]2CCCS(=O)(=O)C2)CCN1S(C)(=O)=O
342078755	ZINC000625296475	mid	5.79	-48.93	1	264.316	1.259	2	2	8	C[N@@H+](CCNC(=O)COCC(F)F)C1CCCC1
185088406	ZINC000096072319	ref	1.74	-23.93	0	286.328	-0.845	1	5	5	CNC(=O)CO[C@@H]1CO[C@@]2(CCN(C(=O)COC)C2)C1
282122396	ZINC000127772062	ref	6.13	-46.93	1	318.425	0.826	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CC2
282122407	ZINC000127772062	mid	5.85	-49.17	1	318.425	0.826	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H](C)[N@H+](C3CC3)C1)CC2
282122411	ZINC000127772062	high	3.6	-15.88	0	318.425	0.826	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1C[C@H](C)N(C3CC3)C1)CC2
282122414	ZINC000170719869	ref	6.95	-20.98	0	346.46	2.448	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1nc3c(s1)CCCCC3)CC2
282122418	ZINC000493898681	ref	2.37	-47.11	1	251.334	0.001	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])CC2
185088416	ZINC000096072111	ref	4.58	-18.4	0	293.367	0.927	0	5	5	COCC[C@@H]1CO[C@]2(CCN(C(=O)Cn3cccn3)C2)C1
185088418	ZINC000096072448	ref	4.81	-36.31	1	278.352	1.34	1	4	5	COCC[N@@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
398248743	ZINC000449206913	ref	7.65	-40.64	1	248.395	2.874	1	2	4	C[C@@H]1CSC[C@H]1[NH2+][C@@H](c1cccnc1)C1CC1
185088420	ZINC000096072448	mid	4.57	-36.96	1	278.352	1.34	1	4	5	COCC[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
187169598	ZINC000125093697	ref	5.72	-46.83	1	272.751	2.483	2	1	6	CC(C)NC(=O)CC[NH2+]Cc1cccc(Cl)c1F
342078756	ZINC000608855775	ref	7.86	-17.64	0	277.324	1.962	0	4	4	Cc1cccc([N+](=O)[O-])c1N(C)CC(=O)N1CCCC1
398248747	ZINC000390785277	ref	1.02	-41.21	1	231.336	0.79	2	3	8	COCC[C@H](CO)[NH2+]CCC1CCOCC1
178301420	ZINC000237192802	ref	5.16	-60.45	1	361.486	1.577	2	3	8	COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178301421	ZINC000237194043	ref	4.42	-53.6	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1
365633982	ZINC000641601533	ref	3.35	-12.86	0	289.383	1.387	2	6	6	CC(C)(C)c1ccnc(NCCCn2cc(CO)nn2)c1
398248748	ZINC000235683124	ref	-1.14	-43.21	1	221.304	0.875	2	3	2	Cc1ccc(O)c(CN2C[C@H](C)[C@@H]([NH3+])C2)n1
178301426	ZINC000237194043	mid	6.77	-97.32	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1
365633988	ZINC000641601533	mid	3.83	-38.01	1	289.383	1.387	2	5	6	CC(C)(C)c1cc[nH+]c(NCCCn2cc(CO)nn2)c1
398248750	ZINC000235683124	low	1.75	-114.89	2	221.304	0.875	3	2	2	Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H]([NH3+])C2)n1
365633997	ZINC000641601905	ref	3.59	-8.55	0	261.387	1.756	0	3	5	CC[C@H](C)N(CC)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2
178301428	ZINC000237185536	ref	3.05	-47.24	1	351.447	1.822	2	4	6	COCc1c(C(=O)NCCN2CC[NH2+]CC2)sc2cccc(F)c12
398248752	ZINC000235683124	low	1.58	-110.26	2	221.304	0.875	3	2	2	Cc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@@H]([NH3+])C2)n1
365634003	ZINC000641601232	ref	4.32	-8.9	0	271.769	1.927	1	3	3	O=C(CCc1cc(Cl)cs1)N1C[C@@H]2C[C@]2(O)C1
168364679	ZINC000044684002	ref	5.63	-37.63	1	210.365	2.249	1	1	6	CCC(CC)C[NH2+][C@H]1CCN(C2CC2)C1
398248753	ZINC000235683124	high	-0.35	-48.67	0	221.304	0.875	1	3	2	Cc1ccc([O-])c(CN2C[C@H](C)[C@@H]([NH3+])C2)n1
398248755	ZINC000650439969	ref	5.34	-13.08	0	230.258	2.109	1	2	4	Cc1c(C(=O)NCCC(C)(F)F)ccn1C
398248757	ZINC000337253174	ref	1.74	-9.17	0	234.303	1.557	2	5	6	CC[C@H](C[C@@H](C)CO)Nc1cnc(C#N)cn1
398248759	ZINC000157857951	ref	4.53	-17.76	0	238.291	0.268	2	4	4	CC1(CNC(=O)Cn2cn[nH]c2=O)CCCC1
398248762	ZINC000069838826	ref	5.65	-48.6	1	226.364	2.295	1	1	5	CCN(C(=O)CC[C@H](C)[NH3+])C1CCCCC1
398248764	ZINC000023070826	ref	3.3	-46.32	1	237.299	1.884	1	3	4	CCOC[C@@H]([NH3+])c1ccc2c(c1)OCCCO2
365634008	ZINC000641601678	ref	5.24	-14.4	0	282.347	1.706	1	5	4	CN(C)c1cccnc1CNc1ccc2c(n1)C(=O)CC2
349534688	ZINC000618814161	ref	7.89	-47.59	1	295.431	1.676	1	4	10	CCC[NH+](CCC)CCCC(=O)N(C)Cc1cn(C)nn1
398248767	ZINC000023070826	high	2.91	-6.7	0	237.299	1.884	1	4	4	CCOC[C@@H](N)c1ccc2c(c1)OCCCO2
398248769	ZINC000390785278	ref	1.02	-41.39	1	231.336	0.79	2	3	8	COCC[C@@H](CO)[NH2+]CCC1CCOCC1
197592684	ZINC000162807597	ref	5.01	-14.03	0	307.39	2.002	1	4	5	COc1cccc([C@H]2CN(C(=O)C[C@H](O)C(C)C)CCO2)c1
214184820	ZINC000337621315	ref	1.56	-56.3	-1	298.368	0.166	0	4	1	Cc1cc(=NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)[n-]nc1C
342595526	ZINC000616966442	ref	1.92	-17.16	0	266.347	1.581	2	4	2	O=C(N[C@H]1CCNC1=O)c1cc2sccc2s1
214184823	ZINC000337621315	low	0.66	-22.5	0	298.368	0.166	1	4	1	Cc1cc(=NC(=O)N2CC[C@@H](S(C)(=O)=O)C2)[nH]nc1C
342595527	ZINC000616966705	ref	3.65	-17.06	0	290.363	1.584	2	3	6	CC(C)c1ccc(OCCC(=O)N[C@@H]2CCNC2=O)cc1
214184825	ZINC000337622513	ref	5.87	-8.46	0	291.273	2.452	3	3	3	O=C(CC1(O)CCCCC1)Nc1nc(C(F)(F)F)c[nH]1
214184829	ZINC000337622513	mid	5.79	-7.32	0	291.273	2.452	3	3	3	O=C(CC1(O)CCCCC1)Nc1ncc(C(F)(F)F)[nH]1
214184831	ZINC000337620637	ref	2.15	-16.94	0	275.272	-0.673	2	7	4	Cn1ncc2c(NCCN3C(=O)CNC3=O)ncnc21
214184835	ZINC000337620637	low	2.55	-41.13	1	275.272	-0.673	2	6	4	Cn1ncc2c(NCCN3C(=O)CNC3=O)[nH+]cnc21
214184838	ZINC000337622758	ref	6.01	-9.06	0	264.36	2.468	0	2	9	CCCC[C@@H](C)C(=O)N(C)CCN(C)CC(F)F
342595528	ZINC000616966280	ref	3.44	-16.26	0	264.3	1.009	2	2	4	C[C@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCNC1=O
214184841	ZINC000337621749	ref	5.38	-14.87	0	292.354	2.308	2	2	4	CC(C)[C@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(F)cc1
214184845	ZINC000337623970	ref	8.75	-36.81	1	273.829	3.4	1	2	8	CC[N@H+](CCOC)CCSc1ccc(Cl)cc1
187169599	ZINC000125093697	mid	4.35	-10.3	0	272.751	2.483	2	2	6	CC(C)NC(=O)CCNCc1cccc(Cl)c1F
365633985	ZINC000172888208	ref	4.59	-9.98	0	287.363	1.72	0	5	5	COC[C@@H]1CN(Cc2ccc(-n3cccn3)cc2)CCO1
214184847	ZINC000337623970	mid	8.76	-36.98	1	273.829	3.4	1	2	8	CC[N@@H+](CCOC)CCSc1ccc(Cl)cc1
214184850	ZINC000337623970	high	6.6	-2.6	0	273.829	3.4	0	3	8	CCN(CCOC)CCSc1ccc(Cl)cc1
214184852	ZINC000337621308	ref	3.17	-11.89	0	287.356	0.433	1	5	7	COC(=O)[C@@H]1CCC[C@@H](C(=O)N(C)CCOCCO)C1
214184856	ZINC000337623258	ref	1.81	-14.62	0	264.329	0.886	2	4	2	Cn1ncc2c1CCC[C@@H]2NC(=O)N[C@@H]1CCOC1
303959982	ZINC000563543196	mid	3.16	-58.36	1	320.286	1.895	2	2	5	[NH3+]CC(F)(F)CC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1
214184859	ZINC000337623204	ref	12.04	-17.17	0	272.352	3.032	1	4	6	CCCC[C@H](C)C(=O)Nc1nncn1-c1ccccc1
178301432	ZINC000237190461	ref	1.69	-44.41	1	353.467	1.185	1	6	5	CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)n1
185088421	ZINC000096072448	high	2.02	-6.61	0	278.352	1.34	0	5	5	COCCN1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1
365633990	ZINC000172888208	mid	7.06	-48.48	1	287.363	1.72	1	4	5	COC[C@@H]1C[N@H+](Cc2ccc(-n3cccn3)cc2)CCO1
178301433	ZINC000002024718	ref	5.66	-52.61	-1	225.635	1.318	0	5	2	Cc1cc2nc(CC(=O)[O-])cn2nc1Cl
178301437	ZINC000071475117	ref	2.79	-38.48	-1	233.271	2.107	0	5	1	Cc1cc2n(n1)C(=O)C(C1CCCC1)C([O-])=N2
300267436	ZINC000248844673	ref	2.63	-9.55	0	261.387	0.922	0	4	2	C[C@H]1CN(C[C@H]2CCCCO2)CCS(=O)(=O)C1
185088426	ZINC000096074118	ref	5.43	-43.99	1	279.34	1.0	1	4	2	C[NH+](C)[C@H]1COC2(CCN(C(=O)c3ccno3)CC2)C1
185088428	ZINC000096074118	high	3.02	-6.13	0	279.34	1.0	0	5	2	CN(C)[C@H]1COC2(CCN(C(=O)c3ccno3)CC2)C1
185088430	ZINC000096073342	ref	7.01	-9.34	0	292.379	2.713	0	4	2	CC[C@H]1CO[C@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1
398248756	ZINC000286173216	mid	4.35	-48.51	1	221.304	0.496	2	1	2	C#CC[N@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C
185088432	ZINC000096072924	ref	6.12	-35.61	0	295.314	0.951	2	5	4	O=C([O-])C[N@@H+]1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1
398248758	ZINC000286173216	mid	4.72	-48.48	1	221.304	0.496	2	1	2	C#CC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C
214184832	ZINC000278485015	mid	0.83	-9.28	0	324.331	2.493	1	6	6	FC(F)c1nnc(N[C@@H](CN2CCOCC2)c2ccccc2)o1
136229191	ZINC000232473448	low	5.43	-120.36	2	220.316	1.999	2	1	3	c1cc2c(o1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1
185088434	ZINC000096072924	mid	6.19	-34.31	0	295.314	0.951	2	5	4	O=C([O-])C[N@H+]1CC[C@@]2(C[C@@H](Nc3ncccc3F)CO2)C1
185088435	ZINC000096072923	ref	1.01	-17.98	0	277.324	0.246	2	5	3	O=C(CO)N1CC[C@]2(C[C@H](Nc3cccnc3)CO2)C1
282122397	ZINC000332648960	mid	6.18	-89.05	2	338.452	-0.528	2	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CCO1
185088438	ZINC000096073187	ref	3.43	-40.17	1	268.382	1.879	1	4	3	Cc1nc(CO[C@@H]2COC3(CC[NH2+]CC3)C2)cs1
342595529	ZINC000616966083	ref	1.12	-17.62	0	267.354	1.059	2	4	2	CC(C)(C)c1ncc(C(=O)N[C@@H]2CCNC2=O)s1
185088440	ZINC000096072972	ref	7.36	-38.55	1	293.411	1.828	1	4	5	COCC[C@@H]1COC2(CC[NH+](Cc3nccn3C)CC2)C1
178301458	ZINC000048356738	ref	7.09	-11.08	0	237.306	3.166	1	2	2	Cc1cc2nc(Cc3ccncc3)[nH]c2cc1C
185088442	ZINC000096072972	mid	5.11	-9.17	0	293.411	1.828	0	5	5	COCC[C@@H]1COC2(CCN(Cc3nccn3C)CC2)C1
349535960	ZINC000621246084	mid	2.68	-42.45	1	266.389	2.048	2	4	6	CC(C)C[C@H](N)c1noc(CC[C@@H]2CCC[NH2+]C2)n1
187169600	ZINC000125097222	ref	3.46	-11.23	0	298.77	2.015	2	3	6	COc1ccc(CNC(=O)N(CCO)C2CC2)cc1Cl
187169601	ZINC000125100398	ref	6.33	-12.19	0	287.237	2.277	0	3	4	O=C1CCC(=O)N1Cc1cccc(OCC(F)(F)F)c1
365633991	ZINC000623065421	ref	1.77	-55.03	1	311.407	1.352	3	3	3	C[C@H]1C[C@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1
365633996	ZINC000623065486	ref	0.6	-48.03	1	311.794	1.26	3	4	3	O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)c1nc2cc(Cl)ccc2s1
365634002	ZINC000623066405	ref	4.6	-50.65	1	307.785	1.601	2	4	4	C[C@H]([NH3+])[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365634010	ZINC000623066105	ref	1.95	-56.89	1	301.749	1.797	3	2	2	[NH3+]CC1(O)CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
342595530	ZINC000616966219	ref	5.02	-24.47	0	299.374	1.916	2	3	4	CC(C)Cn1cc(C(=O)N[C@H]2CCNC2=O)c2ccccc21
365634016	ZINC000623065783	ref	2.67	-46.92	1	304.213	1.859	1	3	1	CC1([NH3+])CCN(C(=O)c2ncc(Br)s2)CC1
365634021	ZINC000623065663	ref	3.85	-56.51	1	300.362	1.446	1	4	4	CCc1nc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1
365634030	ZINC000623065691	ref	4.41	-51.93	1	323.393	1.926	2	4	4	COc1cc(NC(=O)N2C[C@H](C)[NH2+][C@H](C)C2)cc(OC)c1OC
365634034	ZINC000623065691	mid	3.24	-11.89	0	323.393	1.926	2	5	4	COc1cc(NC(=O)N2C[C@H](C)N[C@H](C)C2)cc(OC)c1OC
282122398	ZINC000151651480	ref	5.24	-37.37	1	311.466	2.445	2	3	8	CCC[N@H+](CC1(CO)COC1)[C@@H]1C[C@H](OCC)C12CCCC2
365634042	ZINC000623066271	ref	7.59	-44.19	1	303.41	1.154	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1
342595531	ZINC000616966381	ref	4.23	-17.43	0	272.348	1.285	2	2	2	C[C@@]1(C(=O)N[C@@H]2CCNC2=O)CCCc2ccccc21
365634047	ZINC000623066381	ref	0.53	-47.79	1	304.35	1.209	4	3	6	CCCC[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365634051	ZINC000623066381	high	-1.28	-68.61	0	304.35	1.209	3	3	6	CCCC[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365634056	ZINC000623065483	ref	0.61	-47.75	1	311.794	1.26	3	4	3	O=C(NC[C@H]1C[NH2+]C[C@H]1O)c1nc2cc(Cl)ccc2s1
342595532	ZINC000616966634	ref	2.62	-23.25	0	298.289	1.128	2	3	6	O=C(CCCOc1ccc(F)cc1F)N[C@@H]1CCNC1=O
342595533	ZINC000616966611	ref	2.95	-19.41	0	276.336	1.021	2	3	5	CC(C)Oc1cccc(CC(=O)N[C@H]2CCNC2=O)c1
365634062	ZINC000623065263	ref	6.38	-50.24	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1
342595534	ZINC000616966610	ref	2.95	-19.53	0	276.336	1.021	2	3	5	CC(C)Oc1cccc(CC(=O)N[C@@H]2CCNC2=O)c1
187169602	ZINC000125099787	ref	2.58	-16.54	0	265.313	0.367	1	4	3	CCc1n[nH]c(=O)c(C(=O)N2CCOCC2)c1CC
398248760	ZINC000457192831	ref	6.24	-7.8	0	241.375	2.744	1	2	3	C[C@H](CC(C)(C)C)NC(=O)[C@@H]1CCCOCC1
187169603	ZINC000125099339	ref	6.72	-47.41	1	261.369	1.874	1	2	2	Cc1cc(C(=O)N2CC[NH2+]C[C@H]2C)c(C)n1C1CC1
398248761	ZINC000417664869	ref	6.8	-35.26	0	243.347	1.892	1	3	7	CCOC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1C)C(=O)[O-]
187169604	ZINC000125099339	mid	5.39	-8.63	0	261.369	1.874	1	3	2	Cc1cc(C(=O)N2CCNC[C@H]2C)c(C)n1C1CC1
136229192	ZINC000097441665	ref	2.07	-8.84	0	224.304	1.205	2	3	5	C[C@@H](CCO)CNC(=O)C1(C#N)CCCC1
290622490	ZINC000492520576	ref	4.88	-15.38	0	286.331	2.364	1	4	6	COc1cncc(/C=C\C(=O)NCCc2ccc(C)o2)c1
214184836	ZINC000278485015	high	-0.87	-37.56	-1	324.331	2.493	0	5	6	FC(F)c1nnc([N-][C@@H](CN2CCOCC2)c2ccccc2)o1
178301434	ZINC000082797171	ref	2.9	-10.69	0	256.4	2.219	1	6	5	CN[C@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1
136229193	ZINC000184906454	ref	3.41	-14.37	0	238.331	1.313	1	2	4	C=C(C)C[C@H](C)C(=O)N1CCC[C@H](C(N)=O)C1
342078757	ZINC000625294977	ref	8.2	-18.35	0	291.399	1.307	0	5	5	CCc1nnc(N2CCC[C@H]2C(=O)N(C)C)n1CC1CC1
398248763	ZINC000417664872	ref	6.58	-35.2	0	243.347	1.892	1	3	7	CCOC[C@@H]([NH2+]C[C@@H]1CCCC[C@@H]1C)C(=O)[O-]
365633994	ZINC000172888208	mid	7.01	-48.52	1	287.363	1.72	1	4	5	COC[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)CCO1
398248765	ZINC000286164631	ref	8.26	-38.11	1	242.322	2.41	1	2	4	C#CC(C)(C)[N@@H+](C)Cc1ccc(C#N)cc1OC
398248766	ZINC000286164631	mid	8.1	-38.11	1	242.322	2.41	1	2	4	C#CC(C)(C)[N@H+](C)Cc1ccc(C#N)cc1OC
398248768	ZINC000286164631	mid	6.04	-6.8	0	242.322	2.41	0	3	4	C#CC(C)(C)N(C)Cc1ccc(C#N)cc1OC
398248770	ZINC000336779754	ref	5.38	-39.19	1	223.36	2.339	2	1	6	C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C
398248772	ZINC000286140330	ref	2.37	-16.71	0	228.292	0.301	1	3	8	C=CCCO[C@@H](C)C(=O)N(C)CCC(N)=O
178301435	ZINC000082797171	low	4.2	-53.63	1	256.4	2.219	1	5	5	C[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nnc(C)s1
178305834	ZINC000020429239	ref	6.8	-56.59	1	217.316	2.39	1	2	3	Cc1cc2ncn(CC[C@H](C)[NH3+])c2cc1C
136229194	ZINC000097443495	ref	3.77	-10.01	0	231.295	1.173	2	2	4	C[C@@H](CCO)CNC(=O)C#Cc1ccccc1
342078758	ZINC000625297147	ref	6.43	-16.0	0	295.383	1.306	0	3	6	CC[C@H](C)[C@@H](C)N(C(=O)CN1CC(=O)N(C)C1=O)C1CC1
342078759	ZINC000625297027	ref	1.34	-44.8	1	251.33	1.39	1	4	5	COc1cncc(C[NH2+][C@@H](C)C2CCOCC2)n1
342078760	ZINC000625297027	high	0.33	-5.75	0	251.33	1.39	1	5	5	COc1cncc(CN[C@@H](C)C2CCOCC2)n1
398248771	ZINC000390784969	ref	3.92	-37.39	1	210.321	1.433	2	1	3	CCC1(NC(=O)[C@@H]2[NH2+]CC2(C)C)CCC1
398248773	ZINC000390784969	high	2.3	-6.4	0	210.321	1.433	2	2	3	CCC1(NC(=O)[C@@H]2NCC2(C)C)CCC1
178301436	ZINC000237190461	high	1.36	-12.96	0	353.467	1.185	1	7	5	CO[C@H](C)c1noc(CN2CCCN(C(=O)[C@@H](N)C(C)(C)C)CC2)n1
365633995	ZINC000354704270	mid	3.61	-43.61	1	295.387	1.234	2	4	5	CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cn(C)nc2OC)C1
178301440	ZINC000237188794	ref	6.49	-52.82	1	361.486	1.672	1	3	7	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)cc1
398248774	ZINC000644905904	ref	1.26	-19.15	0	245.298	0.558	3	2	4	CNC(=O)[C@H]1CCC[C@@H]1NC(=O)N[C@@H](C)CF
178301442	ZINC000237188794	high	6.09	-12.17	0	361.486	1.672	1	4	7	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H](N)CC(C)C)CC2)cc1
178301445	ZINC000237195217	ref	10.93	-62.41	-1	367.405	1.635	1	6	7	CCn1c(=O)n(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c2ccccc21
178301448	ZINC000237189041	ref	5.2	-57.37	1	358.442	1.347	3	4	5	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)ccc21
136229195	ZINC000232473609	ref	7.25	-127.44	2	230.355	1.885	2	0	3	c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)C2
398248776	ZINC000069838782	ref	3.6	-48.27	1	240.734	2.084	2	1	5	C[C@@H]([NH3+])CCC(=O)NCc1ccccc1Cl
349534689	ZINC000093262217	ref	4.65	-46.11	1	295.387	0.679	3	4	4	C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1O
398248779	ZINC000390783296	ref	4.58	-35.37	1	210.321	1.241	1	1	1	C[C@H]1C[C@@H](C)CN1C(=O)[C@H]1[NH2+]CC1(C)C
398248781	ZINC000390783296	high	3.02	-9.1	0	210.321	1.241	1	2	1	C[C@H]1C[C@@H](C)CN1C(=O)[C@H]1NCC1(C)C
398248782	ZINC000650439977	ref	3.69	-9.68	0	248.298	2.535	1	3	4	Cc1nc(C(=O)NCCC(C)(F)F)sc1C
398248784	ZINC000650440006	ref	1.3	-13.25	0	241.316	1.306	3	4	4	CSc1cccnc1NC(=O)N[C@@H](C)CO
178301452	ZINC000237192052	ref	3.61	-15.46	0	373.457	1.923	1	7	7	CO[C@H](C)c1noc(CN2CCCN(C(=O)CNc3ccccc3)CC2)n1
365634000	ZINC000354705007	ref	5.77	-9.54	0	274.361	1.395	1	4	8	CCOC(=O)CC[C@@H](C)NC(=O)N(C)C[C@H](C)OC
178301455	ZINC000237192647	ref	5.18	-60.88	1	361.486	1.577	2	3	8	COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
398248786	ZINC000069838781	ref	3.6	-49.12	1	240.734	2.084	2	1	5	C[C@H]([NH3+])CCC(=O)NCc1ccccc1Cl
178305837	ZINC000020429239	low	7.28	-101.07	2	217.316	2.39	1	1	3	Cc1cc2[nH+]cn(CC[C@H](C)[NH3+])c2cc1C
398248789	ZINC000647170592	ref	1.46	-49.3	1	249.314	1.444	3	2	4	C[C@@H]1C[C@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CO1
342595535	ZINC000616966034	ref	3.69	-20.72	0	296.754	1.42	2	3	4	Cc1cc(O[C@@H](C)C(=O)N[C@H]2CCNC2=O)ccc1Cl
349534691	ZINC000621493956	ref	8.67	-9.33	0	298.377	3.109	1	1	3	C[C@]12CN(C(=O)NCC[C@@H]3CC3(F)F)C[C@@H]1[C@@H]1CC[C@H]2C1
187169607	ZINC000125094560	ref	3.9	-8.6	0	289.129	2.54	2	4	5	CC[C@H](O)CNc1ccc(Br)cc1[N+](=O)[O-]
185088443	ZINC000096072335	ref	3.7	-20.16	0	298.383	0.555	1	4	5	CNC(=O)CO[C@H]1CO[C@]2(CCN(C(=O)CC(C)C)C2)C1
342595536	ZINC000616966112	ref	3.95	-18.53	0	290.363	1.549	2	3	7	Cc1cccc(OCCCCC(=O)N[C@@H]2CCNC2=O)c1
349534699	ZINC000621492720	ref	8.52	-9.51	0	286.366	3.253	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CCC[C@@H](C2CCC2)C1
342595537	ZINC000616966382	ref	4.23	-15.73	0	272.348	1.285	2	2	2	C[C@@]1(C(=O)N[C@H]2CCNC2=O)CCCc2ccccc21
290622491	ZINC000492521836	ref	4.83	-14.42	0	258.321	2.114	0	3	3	COc1cncc(/C=C\C(=O)N2C[C@@H]3CCC[C@H]32)c1
323004514	ZINC000150982073	ref	9.09	-14.93	0	236.319	1.97	1	4	3	C[C@H]1CCC[C@@H](CC(=O)Nc2ncnn2C)C1
342595538	ZINC000616966396	ref	3.81	-19.71	0	278.377	1.805	2	3	4	CC(C)Sc1ccccc1C(=O)N[C@H]1CCNC1=O
282122400	ZINC000332648960	high	1.56	-9.65	0	338.452	-0.528	0	5	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCN3CCCC[C@H]3C2)CCO1
342595539	ZINC000616966683	ref	3.01	-20.01	0	296.754	1.504	2	3	6	O=C(CCCOc1ccc(Cl)cc1)N[C@H]1CCNC1=O
214184839	ZINC000278486135	ref	4.83	-9.74	0	307.39	2.178	1	4	6	COc1ccc(OC)c(CCC(=O)N[C@H]2CCOC[C@@H]2C)c1
349534704	ZINC000621493424	ref	7.38	-9.09	0	274.355	3.3	2	1	7	CCC[C@H](NC(=O)NCC[C@@H]1CC1(F)F)C1CCC1
187169608	ZINC000125097708	ref	1.6	-10.13	0	260.297	0.686	2	5	4	Cc1cccc(-n2cc(C(=O)N[C@@H](C)CO)nn2)c1
185088456	ZINC000096074487	ref	0.94	-9.06	0	274.324	0.548	1	5	3	CNC(=O)C1=NO[C@@]2(CCN(Cc3cccnc3)C2)C1
282122403	ZINC000371739923	ref	2.97	-37.05	1	256.346	0.081	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C2(O)CCCC2)CCO1
185088458	ZINC000096074487	low	3.4	-46.12	1	274.324	0.548	2	4	3	CNC(=O)C1=NO[C@@]2(CC[N@H+](Cc3cccnc3)C2)C1
282122409	ZINC000371739923	high	0.48	-6.63	0	256.346	0.081	1	4	3	CN(C)C[C@@H]1CN(C(=O)C2(O)CCCC2)CCO1
185386255	ZINC000096752606	ref	2.61	-9.22	0	300.399	1.521	2	4	3	CC(C)(CO)NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1
282122416	ZINC000180421142	ref	4.95	-37.07	1	269.172	0.969	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C(C)(Cl)Cl)CCO1
282122424	ZINC000180421142	high	2.4	-4.58	0	269.172	0.969	0	3	3	CN(C)C[C@@H]1CN(C(=O)C(C)(Cl)Cl)CCO1
282122428	ZINC000353890370	ref	5.27	-35.98	1	311.426	0.47	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC2(C)C)CCO1
398248775	ZINC000286161226	ref	4.31	-9.82	0	231.299	1.511	2	3	4	C#C[C@@H](NC(=O)c1ccc(NC)nc1)C(C)C
178301438	ZINC000082796505	ref	4.75	-48.75	1	256.305	1.783	2	2	3	O=C(NCc1ccco1)[C@@H]1C[NH2+]Cc2ccccc21
178301439	ZINC000082796505	high	3.26	-9.03	0	256.305	1.783	2	3	3	O=C(NCc1ccco1)[C@@H]1CNCc2ccccc21
398248777	ZINC000336779763	ref	5.25	-41.78	1	220.316	1.913	1	2	5	CCc1ccc(C[NH2+]C[C@@H]2CCCO2)cn1
178301443	ZINC000082798379	ref	2.93	-44.1	1	261.774	2.24	1	2	4	C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1ccccc1Cl
342078761	ZINC000608854383	ref	7.65	-19.94	0	270.336	1.931	1	4	5	CC(C)C[C@@H](C#N)NC(=O)Cc1cn2ccccc2n1
342078762	ZINC000608854383	low	7.94	-36.95	1	270.336	1.931	1	3	5	CC(C)C[C@@H](C#N)NC(=O)Cc1cn2ccccc2[nH+]1
398248778	ZINC000336779763	high	3.81	-6.17	0	220.316	1.913	1	3	5	CCc1ccc(CNC[C@@H]2CCCO2)cn1
342078763	ZINC000608850543	ref	5.6	-13.47	0	255.387	1.61	1	4	7	CC(C)SCC(=O)NCCCc1cnn(C)c1
398248780	ZINC000100407000	ref	5.75	-12.57	0	206.22	2.328	1	2	2	CCc1cc(=O)n(-c2ccc(F)cc2)[nH]1
178301451	ZINC000082798003	ref	3.58	-41.7	0	261.372	1.519	1	6	5	Cc1nnc(S[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-])s1
365633999	ZINC000172890114	ref	2.33	-13.81	0	296.342	1.5	1	4	5	COC[C@@H]1CN([C@@H](C)C(=O)Nc2cccc(F)c2)CCO1
398248783	ZINC000100407000	mid	5.65	-38.22	-1	206.22	2.328	0	2	2	CCc1cc(=O)n(-c2ccc(F)cc2)[n-]1
342078764	ZINC000625296568	ref	9.74	-50.96	1	299.378	1.15	2	4	4	C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(Cn3cncn3)c2)C1
343993865	ZINC000599270424	ref	6.15	-41.29	1	273.373	1.192	2	4	9	CCOC(=O)C[C@@H](O)C[N@H+](CCOC)C1CCCC1
342078765	ZINC000625296568	mid	9.21	-48.41	1	299.378	1.15	2	4	4	C[N@H+]1CCC[C@@H](NC(=O)c2cccc(Cn3cncn3)c2)C1
398248785	ZINC000336779455	ref	1.92	-37.72	1	233.262	1.527	2	3	6	C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccn(C(F)F)n1
365634007	ZINC000172893491	ref	1.62	-21.46	0	299.392	1.426	2	4	5	Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)[C@H](C)CO)cc1C
398248787	ZINC000336779455	mid	0.9	-7.09	0	233.262	1.527	2	4	6	C[C@@H](O)C[C@@H](C)NCc1ccn(C(F)F)n1
398248788	ZINC000053097396	ref	1.46	-6.34	0	201.266	0.444	2	4	4	COC(=O)CNC1(CO)CCCCC1
398248790	ZINC000053097396	low	2.28	-33.7	1	201.266	0.444	2	3	4	COC(=O)C[NH2+]C1(CO)CCCCC1
349535961	ZINC000602431472	high	3.25	-8.42	0	239.363	1.189	0	4	6	C[C@@H](CCC#N)CN1CCO[C@@H](CN(C)C)C1
398248792	ZINC000062357057	ref	2.78	-5.3	0	208.286	2.347	1	4	3	CCc1ccc([C@H](N)c2cscn2)o1
398248794	ZINC000062357057	low	3.09	-44.88	1	208.286	2.347	1	3	3	CCc1ccc([C@H]([NH3+])c2cscn2)o1
282122402	ZINC000151651480	mid	5.18	-36.55	1	311.466	2.445	2	3	8	CCC[N@@H+](CC1(CO)COC1)[C@@H]1C[C@H](OCC)C12CCCC2
365634001	ZINC000123059786	mid	9.02	-39.01	1	291.439	2.443	2	1	3	C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CC1
185088460	ZINC000096074487	low	3.39	-47.5	1	274.324	0.548	2	4	3	CNC(=O)C1=NO[C@@]2(CC[N@@H+](Cc3cccnc3)C2)C1
365634005	ZINC000123022371	ref	5.47	-9.44	0	294.782	2.389	1	2	3	CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)ccc1C
185088463	ZINC000096074601	ref	5.84	-39.65	1	294.42	2.075	1	3	2	CC[N@@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2
365634017	ZINC000123127320	ref	5.48	-4.91	0	277.368	2.413	0	5	4	COc1cc(N2CCC(OC3CCCC3)CC2)ncn1
365634028	ZINC000122986373	ref	5.72	-9.01	0	296.455	2.382	0	3	6	CCC[C@@H](C(=O)N1CCC[C@H]1CN1CCOCC1)C(C)C
365634033	ZINC000122986373	low	7.69	-34.6	1	296.455	2.382	1	2	6	CCC[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCOCC1)C(C)C
168364680	ZINC000044460701	ref	5.54	-42.79	1	191.299	2.791	1	1	2	C[C@@H]([NH3+])Cc1cc2ccccc2s1
365634039	ZINC000122991420	ref	6.47	-12.98	0	255.318	2.19	1	3	2	CN(C(=O)Nc1ccc(F)cn1)[C@H]1CCSC1
185088464	ZINC000096074601	mid	5.84	-41.18	1	294.42	2.075	1	3	2	CC[N@H+]1CCOCC12CCN(C(=O)c1ccsc1)CC2
365634054	ZINC000123103267	ref	9.39	-18.47	0	298.452	2.131	0	3	4	CC[C@@H](C(=O)N1CCCC[C@H](SC)C1)N1CCCC1=O
365634061	ZINC000122960611	ref	4.75	-33.67	1	269.348	2.123	1	2	3	CCCc1cc(N2CCNC(=O)C2)c2ccccc2[nH+]1
185088466	ZINC000096074601	mid	3.76	-8.62	0	294.42	2.075	0	4	2	CCN1CCOCC12CCN(C(=O)c1ccsc1)CC2
365634072	ZINC000122960611	high	4.44	-11.0	0	269.348	2.123	1	3	3	CCCc1cc(N2CCNC(=O)C2)c2ccccc2n1
365634078	ZINC000123039353	ref	8.63	-20.04	0	274.364	2.288	1	2	7	C=CCC[C@H](NC(=O)CC(=O)N(C)C)c1ccccc1
185088467	ZINC000096075001	ref	4.57	-13.99	0	288.351	1.414	1	3	2	CN(C)C(=O)N1CC[C@@]2(C[C@@H]2C(=O)Nc2cccnc2)C1
185386256	ZINC000096746994	ref	7.12	-11.44	0	301.346	1.46	1	5	3	CC(C)c1ccccc1NC(=O)c1cn(C)c(=O)n(C)c1=O
168364681	ZINC000039194777	ref	1.51	-43.21	1	151.213	0.841	2	2	3	C[C@@H]([NH3+])CNc1ccccn1
185088471	ZINC000096072973	ref	7.31	-38.8	1	293.411	1.828	1	4	5	COCC[C@H]1COC2(CC[NH+](Cc3nccn3C)CC2)C1
214184843	ZINC000278486271	ref	3.95	-13.75	0	317.389	2.23	3	4	5	CCOC1CC(O)(CNC(=O)Nc2cccc3ccn(C)c23)C1
365634084	ZINC000122955692	ref	6.5	-9.37	0	257.341	2.131	0	5	2	Cc1cnn([C@@H]2CCCN(c3nccc(C)n3)C2)c1
342078766	ZINC000625296568	mid	6.85	-14.28	0	299.378	1.15	1	5	4	CN1CCC[C@@H](NC(=O)c2cccc(Cn3cncn3)c2)C1
342078767	ZINC000625296832	ref	7.92	-10.68	0	294.399	1.492	0	6	6	CCc1nnc(N2CCO[C@@](C)(COC)C2)n1CC1CC1
342078768	ZINC000625297042	ref	3.56	-9.62	0	292.383	1.78	0	5	3	CC(=O)N1CCN(Cc2noc(C3CCC3)n2)C(C)(C)C1
342078769	ZINC000046503348	ref	7.97	-41.27	1	283.416	1.189	1	2	7	CCN(CC)C(=O)C[N@H+](C)CCC(=O)N1CCCCC1
342078770	ZINC000046503348	mid	7.97	-41.29	1	283.416	1.189	1	2	7	CCN(CC)C(=O)C[N@@H+](C)CCC(=O)N1CCCCC1
178301464	ZINC000082797982	ref	3.77	-34.85	0	260.384	2.124	1	5	5	Cc1csc(S[C@H](C)C[C@](C)([NH3+])C(=O)[O-])n1
342078771	ZINC000046503348	mid	5.7	-10.58	0	283.416	1.189	0	3	7	CCN(CC)C(=O)CN(C)CCC(=O)N1CCCCC1
398248791	ZINC000647170592	high	0.24	-10.3	0	249.314	1.444	3	3	4	C[C@@H]1C[C@H](NCc2ccc(NC(N)=O)cc2)CO1
214184858	ZINC000278484990	ref	7.51	-8.79	0	320.343	2.76	0	5	4	CCc1ncnc(N2CCC(Oc3ncccc3F)CC2)c1F
342078772	ZINC000625296493	ref	7.9	-42.76	1	268.401	1.792	2	2	8	CCO[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)C1CC1
349534693	ZINC000093262217	high	2.18	-11.34	0	295.387	0.679	2	5	4	C[C@@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1O
342078773	ZINC000625296493	mid	7.88	-42.78	1	268.401	1.792	2	2	8	CCO[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)C1CC1
342078774	ZINC000625298633	ref	4.53	-38.94	1	258.406	1.633	3	2	9	CCCC[N@H+](CCCO)CC(=O)NCC(C)(C)C
342078775	ZINC000625298633	mid	4.52	-38.92	1	258.406	1.633	3	2	9	CCCC[N@@H+](CCCO)CC(=O)NCC(C)(C)C
178301479	ZINC000082797131	ref	4.54	-8.17	0	256.4	2.301	1	6	6	CCN[C@@](C)(C#N)C[C@@H](C)Sc1nncs1
178301482	ZINC000082797131	low	4.62	-47.16	1	256.4	2.301	1	5	6	CC[NH2+][C@@](C)(C#N)C[C@@H](C)Sc1nncs1
259308261	ZINC000526042895	ref	5.71	-12.25	0	248.311	1.818	1	5	4	CCC[C@@H](C#N)NC(=O)c1cn2ccnc2s1
342078776	ZINC000625298633	high	2.56	-9.34	0	258.406	1.633	2	3	9	CCCCN(CCCO)CC(=O)NCC(C)(C)C
342078777	ZINC000608854388	ref	2.24	-14.41	0	265.338	1.515	2	4	5	CC(C)C[C@H](C#N)NC(=O)c1ccc(C(N)=O)s1
214184863	ZINC000278484851	ref	9.46	-12.4	0	316.453	3.096	1	6	7	CC(C)CC[C@@H](C)Nc1cnn(Cc2nnc3n2CCCC3)c1
214184864	ZINC000278485793	ref	6.45	-13.64	0	321.373	1.916	0	6	8	CCCN(CCC(=O)c1ccc2c(c1)OCCO2)CC(=O)OC
342078778	ZINC000031874914	ref	4.65	-12.98	0	273.321	1.928	1	6	3	CCc1nnc(NC(=O)c2ccc(C#N)c(C)n2)s1
342078779	ZINC000031874914	high	3.46	-43.46	-1	273.321	1.928	0	6	3	CCc1nnc([N-]C(=O)c2ccc(C#N)c(C)n2)s1
365634006	ZINC000354705019	ref	5.67	-9.75	0	255.358	1.827	0	3	4	CCOC1CC(C(=O)N2C[C@@H](C)OC[C@H]2CC)C1
349534694	ZINC000618812539	ref	7.37	-21.13	0	272.352	1.579	0	4	5	CCc1ccc(CC(=O)N(C)Cc2cn(C)nn2)cc1
185088472	ZINC000096072973	mid	5.06	-9.32	0	293.411	1.828	0	5	5	COCC[C@H]1COC2(CCN(Cc3nccn3C)CC2)C1
282122405	ZINC000151644189	ref	5.78	-40.1	1	305.422	2.458	3	2	6	CC[N@H+](CCNC(=O)N[C@H]1COc2ccc(C)cc21)C(C)C
282122410	ZINC000151644189	mid	5.69	-40.23	1	305.422	2.458	3	2	6	CC[N@@H+](CCNC(=O)N[C@H]1COc2ccc(C)cc21)C(C)C
365634011	ZINC000354703971	ref	4.87	-8.13	0	265.256	1.24	1	4	8	C/C=C/C[C@H](NC(=O)COC(F)F)C(=O)OCC
190493599	ZINC000269426946	ref	3.94	-11.68	0	287.319	1.84	1	5	4	Cc1ccccc1-c1nc(CNC(=O)[C@@H]2CCCO2)no1
365634013	ZINC000354705316	ref	5.15	-11.1	0	264.288	1.955	1	4	3	O=C(NCc1cccc2cccnc12)c1cncnc1
282122412	ZINC000151662947	ref	5.89	-7.82	0	322.474	2.316	1	4	6	Cc1cccc(OC[C@@H](C)NC(=O)[C@H](C)N2CCSCC2)c1
342078780	ZINC000625297265	ref	8.51	-11.66	0	282.363	1.815	0	5	6	CCc1nnc(N2CCO[C@H](CCF)C2)n1CC1CC1
187169609	ZINC000125098830	ref	9.04	-40.16	1	277.364	3.221	1	3	4	COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2C2CCCC2)o1
185088480	ZINC000096073219	ref	5.4	-37.7	1	292.379	1.73	1	4	5	COCC[NH+]1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2
168364683	ZINC000044684002	low	8.0	-107.66	2	210.365	2.249	2	0	6	CCC(CC)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1
185088482	ZINC000096073219	high	3.07	-6.71	0	292.379	1.73	0	5	5	COCCN1CCC2(CC1)C[C@@H](Oc1cccnc1)CO2
185088484	ZINC000096074589	ref	7.28	-43.96	1	288.391	1.552	1	2	2	C[N@@H+]1CCOCC12CCN(C(=O)Cc1ccccc1)CC2
185088486	ZINC000096074589	mid	7.28	-46.12	1	288.391	1.552	1	2	2	C[N@H+]1CCOCC12CCN(C(=O)Cc1ccccc1)CC2
185088488	ZINC000096074589	mid	5.03	-10.11	0	288.391	1.552	0	3	2	CN1CCOCC12CCN(C(=O)Cc1ccccc1)CC2
185088489	ZINC000096072122	ref	9.24	-41.93	1	294.398	3.23	1	2	3	c1ccc([C@H]2CO[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2)cc1
342078781	ZINC000608854285	ref	4.23	-13.6	0	257.33	1.263	1	4	6	COC(=O)CCCCNC(=O)C1(C)CCOCC1
185088491	ZINC000096072122	mid	9.17	-41.64	1	294.398	3.23	1	2	3	c1ccc([C@H]2CO[C@]3(CC[N@H+](Cc4cccnc4)C3)C2)cc1
168364687	ZINC000044684002	low	7.94	-107.34	2	210.365	2.249	2	0	6	CCC(CC)C[NH2+][C@H]1CC[N@H+](C2CC2)C1
342078782	ZINC000625296580	ref	8.66	-41.24	1	270.376	1.783	2	1	2	C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C1
365634012	ZINC000172888809	ref	3.3	-9.11	0	283.324	1.222	0	6	5	COC[C@H]1CN(Cc2cc(C(=O)OC)c(C)o2)CCO1
178301459	ZINC000237183022	ref	4.3	-52.93	1	360.863	1.875	1	4	4	COC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1
365634018	ZINC000172888809	low	5.05	-44.59	1	283.324	1.222	1	5	5	COC[C@H]1C[N@H+](Cc2cc(C(=O)OC)c(C)o2)CCO1
178301462	ZINC000237186313	ref	6.13	-50.72	1	373.457	1.039	2	5	4	CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H](C[NH3+])C3)cc(C(C)C)nc21
365634023	ZINC000172888809	low	5.59	-46.61	1	283.324	1.222	1	5	5	COC[C@H]1C[N@@H+](Cc2cc(C(=O)OC)c(C)o2)CCO1
365634029	ZINC000565362202	ref	2.16	-56.4	1	266.301	1.104	3	4	6	CNc1ccc(C(=O)NCC[C@H](C)[NH3+])cc1[N+](=O)[O-]
178301465	ZINC000237186313	high	4.32	-76.09	0	373.457	1.039	1	5	4	CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC[C@@H](C[NH3+])C3)cc(C(C)C)nc21
365634036	ZINC000172889003	ref	4.67	-6.47	0	279.38	1.975	0	4	7	CCc1cccc(OCCN2CCO[C@H](COC)C2)c1
365634041	ZINC000172889003	mid	7.09	-39.85	1	279.38	1.975	1	3	7	CCc1cccc(OCC[N@@H+]2CCO[C@H](COC)C2)c1
178305842	ZINC000065505646	ref	7.7	-10.94	0	238.294	2.741	0	4	1	Cc1cc2ncn(-c3nccnc3C)c2cc1C
365634045	ZINC000172889003	mid	7.03	-39.9	1	279.38	1.975	1	3	7	CCc1cccc(OCC[N@H+]2CCO[C@H](COC)C2)c1
365634050	ZINC000172892318	ref	3.62	-12.61	0	290.363	1.139	0	4	4	COC[C@@H]1CN([C@@H]2CCN(c3ccccc3)C2=O)CCO1
365634057	ZINC000172891388	ref	6.46	-45.37	1	279.336	1.32	0	5	5	COC[C@@H]1CN(Cc2cccc(C(=O)OC)c2)CCO1
365634064	ZINC000172891388	low	6.52	-45.6	1	279.336	1.32	1	4	5	COC[C@@H]1C[N@H+](Cc2cccc(C(=O)OC)c2)CCO1
365634069	ZINC000172891388	low	6.46	-45.37	1	279.336	1.32	1	4	5	COC[C@@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2)CCO1
365634076	ZINC000172889636	ref	6.73	-16.65	0	294.351	1.437	1	5	7	CCOC(=O)CNc1ccc(C)cc1OCC(=O)N(C)C
365634083	ZINC000172888662	ref	1.75	-19.01	0	285.321	1.619	1	6	5	C[C@H](O)[C@H](C)S(=O)(=O)Cc1cc(-c2ccco2)on1
262839517	ZINC000399589188	ref	8.64	-29.38	1	241.375	2.693	1	2	2	C[C@@H]1C[N@@H+]([C@H](C)C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C
343993867	ZINC000625558977	ref	1.85	-7.97	0	218.322	0.739	1	2	4	C/C=C/CNS(=O)(=O)N1CC[C@H](C)C1
168364684	ZINC000044463494	ref	2.74	-46.62	1	175.235	1.453	2	1	2	C[C@@H]([NH3+])Cc1ccc2n[nH]cc2c1
365634088	ZINC000172891394	ref	6.51	-45.45	1	279.336	1.32	0	5	5	COC[C@H]1CN(Cc2cccc(C(=O)OC)c2)CCO1
168364686	ZINC000044410963	ref	4.58	-63.16	0	179.219	1.275	1	2	3	C[C@@H]([NH3+])Cc1cccc(C(=O)[O-])c1
168364690	ZINC000036988468	ref	3.76	-38.46	1	171.284	1.929	1	1	3	C[C@@H]([NH3+])CO[C@@H]1CCCC[C@H]1C
398248793	ZINC000558905848	ref	4.48	-7.58	0	242.319	1.54	1	3	5	O=C(NCCOCC1CCC1)N1CCCCO1
398248796	ZINC000313447705	ref	10.04	-48.76	1	249.402	3.222	1	2	8	CCC[C@H]([NH2+]CCCn1ccnc1)C1CCCC1
197592704	ZINC000290094167	ref	6.65	-7.73	0	289.297	3.04	1	2	4	COc1ccccc1C(C)(C)C(=O)N[C@H](C)C(F)(F)F
398248797	ZINC000313447705	low	10.56	-97.28	2	249.402	3.222	1	1	8	CCC[C@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1
365634014	ZINC000641601094	ref	1.96	-12.03	0	258.281	1.121	1	5	2	NC(=O)c1nccnc1N1CCCc2occc2C1
398248799	ZINC000076876750	ref	5.61	-13.59	0	244.294	1.971	1	3	3	CC[C@H](C#N)NC(=O)[C@@H]1CCOc2ccccc21
398248800	ZINC000076875869	ref	5.69	-15.82	0	230.267	1.535	0	3	2	CN(CC#N)C(=O)[C@@H]1CCOc2ccccc21
398248801	ZINC000069838875	ref	4.03	-54.74	1	224.279	2.2	2	1	4	Cc1ccc(F)cc1NC(=O)CC[C@@H](C)[NH3+]
168364691	ZINC000368498906	ref	5.27	-11.97	0	335.839	3.083	1	6	5	COc1ncc([C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1Cl
398248803	ZINC000076851826	ref	1.89	-8.9	0	240.328	0.801	2	2	5	NS(=O)(=O)N[C@H](Cc1ccccc1)C1CC1
398248805	ZINC000647170589	ref	1.44	-48.69	1	249.314	1.444	3	2	4	C[C@@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CO1
187169610	ZINC000125098830	mid	9.76	-40.52	1	277.364	3.221	1	3	4	COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2C2CCCC2)o1
398248806	ZINC000647170589	high	0.21	-10.12	0	249.314	1.444	3	3	4	C[C@@H]1C[C@@H](NCc2ccc(NC(N)=O)cc2)CO1
136229196	ZINC000232473609	mid	6.17	-35.26	1	230.355	1.885	2	1	3	c1ccc2c(c1)CC[C@H](NC[C@@H]1CCC[NH2+]1)C2
365634020	ZINC000641600929	ref	5.08	-16.92	0	274.324	1.734	1	5	4	CCOC1CC(N(C)c2ccc3nc[nH]c(=O)c3n2)C1
214725017	ZINC000279233994	mid	5.72	-42.05	1	323.824	2.125	3	2	4	C[C@H]1C[C@@H](C(=O)NCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C
306234651	ZINC000557899652	ref	6.56	-10.41	0	346.456	1.574	2	4	3	C[C@H]1CN(C(=O)C(=O)NCCc2c[nH]c3ncccc23)C[C@H](C)S1
136229197	ZINC000292826038	ref	9.47	-9.49	0	238.335	2.149	0	5	4	C=C(C)Cn1c(N(C)OC)nnc1C(C)(C)C
365634025	ZINC000641601295	ref	4.0	-12.8	0	253.248	1.101	1	2	2	O=C(Cc1ccc(F)cc1F)N1C[C@@H]2C[C@]2(O)C1
398248808	ZINC000076859312	ref	3.01	-8.49	0	244.241	2.894	2	3	1	CC(C)(C)OC(=O)Nc1cc(F)c(F)cc1N
398248810	ZINC000449206914	ref	7.86	-42.58	1	248.395	2.874	1	2	4	C[C@@H]1CSC[C@@H]1[NH2+][C@H](c1cccnc1)C1CC1
259308264	ZINC000394128173	ref	5.09	-8.08	0	248.37	3.126	2	2	6	CC(C)C(CNc1cccc(C(N)=O)c1)C(C)C
398248812	ZINC000449207430	ref	6.19	-48.37	1	249.358	2.265	1	3	4	C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccnn1C1CCCC1
342595540	ZINC000616966278	ref	3.44	-16.16	0	264.3	1.009	2	2	4	C[C@@H](Cc1cccc(F)c1)C(=O)N[C@H]1CCNC1=O
199273018	ZINC000181265264	ref	6.76	-29.04	1	314.433	2.728	3	4	5	C[C@@H](O)C[N@H+](Cc1nc(N)c2ccccc2n1)C1CCCCC1
214184851	ZINC000053474980	ref	4.92	-9.14	0	345.468	2.563	1	5	5	Cc1nc(C)c(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)s1
349534697	ZINC000093260259	ref	0.23	-42.06	1	279.34	0.406	3	4	6	NC(=O)c1cc(OC2CC[NH+](CCCO)CC2)ccn1
342595541	ZINC000616966379	ref	4.23	-17.42	0	272.348	1.285	2	2	2	C[C@]1(C(=O)N[C@H]2CCNC2=O)CCCc2ccccc21
342595542	ZINC000616966641	ref	2.54	-21.07	0	291.351	1.097	3	3	5	CCCc1c(C(=O)N[C@H]2CCNC2=O)[nH]c(C)c1C(C)=O
214184855	ZINC000053476974	ref	9.01	-10.11	0	333.395	2.261	1	5	5	O=C(N[C@H]1CCc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1
342595543	ZINC000616966243	ref	4.36	-18.78	0	260.337	1.322	2	2	5	Cc1ccc(CCCC(=O)N[C@@H]2CCNC2=O)cc1
342595544	ZINC000616966635	ref	2.63	-23.22	0	298.289	1.128	2	3	6	O=C(CCCOc1ccc(F)cc1F)N[C@H]1CCNC1=O
214184860	ZINC000053476868	ref	7.45	-21.79	0	335.407	2.6	2	3	4	Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc21
342595545	ZINC000616966667	ref	4.5	-21.03	0	290.363	1.582	2	3	5	CC(C)c1cccc(O[C@@H](C)C(=O)N[C@@H]2CCNC2=O)c1
214184861	ZINC000053476868	high	6.38	-46.69	-1	335.407	2.6	1	3	4	Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@H]1CCc2ccccc21
342595546	ZINC000616966476	ref	1.04	-17.25	0	289.154	1.129	2	3	2	O=C(N[C@H]1CCNC1=O)c1cc(Br)cs1
214184862	ZINC000053480915	ref	5.48	-28.24	0	349.456	1.664	1	5	8	CCS(=O)(=O)CC(=O)NCCCc1cn(-c2ccccc2)nc1C
349534701	ZINC000093260259	high	-2.11	-9.28	0	279.34	0.406	2	5	6	NC(=O)c1cc(OC2CCN(CCCO)CC2)ccn1
342595547	ZINC000616966180	ref	2.38	-16.3	0	252.339	1.49	2	3	3	CC(C)c1ccsc1C(=O)N[C@H]1CCNC1=O
199273020	ZINC000181265264	mid	6.1	-29.21	1	314.433	2.728	3	4	5	C[C@@H](O)C[N@@H+](Cc1nc(N)c2ccccc2n1)C1CCCCC1
214184874	ZINC000053482381	ref	6.62	-18.51	0	344.436	3.368	1	4	6	C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cc(C(N)=O)cs2)C2CC2)o1
342595548	ZINC000616966226	ref	3.13	-17.75	0	276.336	1.023	2	3	6	CCOc1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1
342595549	ZINC000616966282	ref	4.21	-18.92	0	280.755	1.667	2	2	5	O=C(CCCc1ccc(Cl)cc1)N[C@H]1CCNC1=O
342595550	ZINC000616966067	ref	2.53	-17.08	0	250.323	1.244	2	3	3	O=C(N[C@@H]1CCNC1=O)c1sccc1C1CC1
178301461	ZINC000048356738	low	7.53	-34.93	1	237.306	3.166	1	1	2	Cc1cc2[nH]c(Cc3ccncc3)[nH+]c2cc1C
398248795	ZINC000286175164	ref	6.85	-12.05	0	226.279	1.721	0	2	1	CC#CC(=O)N1CCC=C(c2ccncc2)C1
398248798	ZINC000286174716	ref	2.44	-8.15	0	238.287	0.908	1	3	3	C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)N[C@@H](C)C1=O
185088492	ZINC000096072122	high	6.78	-5.41	0	294.398	3.23	0	3	3	c1ccc([C@H]2CO[C@]3(CCN(Cc4cccnc4)C3)C2)cc1
398248802	ZINC000286141976	ref	4.11	-8.4	0	243.31	3.497	1	4	6	C=CCC[C@@H](Nc1nnc(C)o1)c1ccccc1
365634022	ZINC000354704265	ref	0.12	-9.58	0	270.333	1.365	2	5	7	COc1nn(C)cc1NC(=O)NCCCOC(C)C
349534698	ZINC000618814210	ref	7.51	-15.27	0	298.35	1.213	0	6	5	CN(Cc1cn(C)nn1)C(=O)CCn1cnc2ccccc21
365634026	ZINC000354704367	ref	0.07	-12.71	0	295.368	1.558	2	6	5	COc1nn(C)cc1NC(=O)NCCc1csc(C)n1
342078783	ZINC000625296580	mid	9.2	-42.76	1	270.376	1.783	2	1	2	C[N@H+]1CCC[C@H](NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C1
365634032	ZINC000457198751	ref	8.54	-51.84	1	297.33	1.733	2	3	6	C[NH+](C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F
365634038	ZINC000457198751	high	6.51	-12.1	0	297.33	1.733	1	4	6	CN(C)CC(C)(C)NC(=O)Cc1ccc([N+](=O)[O-])cc1F
365634043	ZINC000354704358	ref	1.81	-8.29	0	252.318	1.739	2	4	5	CCC[C@H]1C[C@H]1NC(=O)Nc1cn(C)nc1OC
168364692	ZINC000021800383	ref	7.25	-1.91	0	211.736	4.188	1	1	5	CCC(CC)CNc1ccc(Cl)cc1
365634049	ZINC000354703847	ref	3.64	-45.19	1	295.427	1.187	3	2	6	C[C@@H]1CCCC[C@@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365634053	ZINC000354704321	ref	4.07	-43.48	1	291.395	1.148	3	3	5	C[C@H](CC(=O)NCC1(O)CC[NH+](C)CC1)c1cccnc1
178301480	ZINC000040310989	ref	5.48	-17.45	0	243.31	2.102	1	4	4	Cc1cc2nc(CCCO)n(CC#N)c2cc1C
290622495	ZINC000492520438	ref	1.72	-18.65	0	293.367	2.282	1	5	6	CC(C)c1nnc(/C=C\C(=O)NCC[C@H]2CCCCO2)o1
365634059	ZINC000354704321	high	1.7	-9.71	0	291.395	1.148	2	4	5	C[C@H](CC(=O)NCC1(O)CCN(C)CC1)c1cccnc1
365634065	ZINC000354705584	ref	4.08	-11.52	0	271.279	1.743	1	3	8	CCOC[C@@H](NC(=O)COCC(F)(F)F)C(C)C
178301486	ZINC000040310989	low	5.97	-39.35	1	243.31	2.102	1	3	4	Cc1cc2[nH+]c(CCCO)n(CC#N)c2cc1C
342078784	ZINC000625296580	high	6.3	-7.56	0	270.376	1.783	1	2	2	CN1CCC[C@H](NC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)C1
365634070	ZINC000354704432	ref	3.45	-46.13	1	268.386	1.533	2	4	5	CC(C)(C)[NH2+]CCNC(=O)c1snnc1C1CC1
168364698	ZINC000040773432	ref	4.41	-33.58	1	201.354	2.419	2	1	8	CCC(CC)C[NH2+][C@H](CO)CC(C)C
185088494	ZINC000096073384	ref	5.58	-9.18	0	263.385	2.437	1	3	3	CC(C)[C@H]1CO[C@@]2(CCCN(Cc3c[nH]cn3)C2)C1
185088496	ZINC000096073384	mid	8.05	-33.65	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
185088497	ZINC000096073384	mid	7.88	-33.38	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
185088500	ZINC000096073384	low	7.69	-40.33	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
185088502	ZINC000096073384	low	8.19	-39.58	1	263.385	2.437	2	2	3	CC(C)[C@H]1CO[C@@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
185088504	ZINC000096073384	high	5.85	-7.88	0	263.385	2.437	1	3	3	CC(C)[C@H]1CO[C@@]2(CCCN(Cc3cnc[nH]3)C2)C1
185088506	ZINC000096073328	ref	6.47	-10.54	0	262.353	2.056	0	3	1	C[C@H]1CO[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
178301468	ZINC000237198005	ref	5.87	-52.88	1	358.486	1.474	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCCC[NH2+]3)c2)CC1
185088508	ZINC000096073045	ref	4.32	-38.04	1	279.384	1.139	2	4	3	C[C@@H](O)C[NH+]1CCC2(CC1)C[C@@H](c1cnn(C)c1)CO2
185088509	ZINC000096073361	ref	6.81	-10.55	0	274.364	2.503	0	3	2	CC[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1
178301472	ZINC000237198005	mid	8.22	-101.64	2	358.486	1.474	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCCC[NH2+]3)c2)CC1
185088511	ZINC000096072643	ref	5.52	-11.76	0	297.362	1.722	1	6	3	c1cncc(N[C@@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)c1
282122406	ZINC000263017572	mid	8.72	-86.08	1	268.401	2.094	2	2	6	CCC(CC)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)[O-]
178301474	ZINC000237198005	high	4.55	-15.14	0	358.486	1.474	2	4	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@]3(C)CCCCN3)c2)CC1
178301478	ZINC000237187505	ref	8.55	-92.68	2	353.466	1.958	3	2	7	C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1
178301481	ZINC000237187505	mid	7.18	-41.2	1	353.466	1.958	3	3	7	C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1
178301483	ZINC000237187505	high	4.65	-9.77	0	353.466	1.958	2	4	7	CN(C)CCOc1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1
178305848	ZINC000058021492	ref	7.41	-46.11	-1	206.205	0.45	0	6	3	Cc1cc2nnc(CCC(=O)[O-])n2cn1
282122408	ZINC000263017572	high	6.62	-41.84	0	268.401	2.094	1	3	6	CCC(CC)(C[NH2+][C@H]1CCN2CCC[C@@H]2C1)C(=O)[O-]
282122413	ZINC000367082909	ref	8.05	-42.49	1	297.439	2.905	1	3	6	CCC(CC)(C[NH2+][C@H]1CCCC12CCOCC2)C(=O)OC
349534702	ZINC000618814072	ref	6.68	-19.09	0	264.373	1.99	0	4	4	C[C@H]1CCCC[C@@H]1CC(=O)N(C)Cc1cn(C)nn1
199273019	ZINC000294964033	ref	6.76	-8.27	0	290.754	2.463	0	4	2	CCn1nnc(C)c1C(=O)N1CCc2c(Cl)cccc21
398248804	ZINC000336779761	ref	8.76	-94.6	2	230.371	2.446	2	0	8	C[NH+](C)CCCC[NH2+][C@H]1CCC[C@H]1CCF
398248807	ZINC000286174736	ref	2.44	-8.15	0	238.287	0.908	1	3	3	C=C(C)[C@@H]1OCC[C@@H]1CN1C(=O)N[C@H](C)C1=O
199273021	ZINC000294964256	ref	7.88	-38.64	1	285.409	2.155	1	4	8	COC(=O)COC[C@H](C)[NH2+][C@H](C)Cc1ccc(C)s1
187169611	ZINC000125098830	high	6.58	-6.09	0	277.364	3.221	0	4	4	COC(=O)c1ccc(CN2CCC[C@@H]2C2CCCC2)o1
398248809	ZINC000336779770	ref	-0.68	-54.22	1	230.308	-0.359	3	3	6	CCOC[C@H](O)C[NH2+][C@H]1CCC(=O)N[C@H]1C
398248811	ZINC000286146226	ref	6.12	-38.19	1	235.302	2.203	2	1	4	C#CC(C)(C)[N@H+](C)C[C@@H](O)c1ccc(F)cc1
398248813	ZINC000286146226	mid	6.44	-38.39	1	235.302	2.203	2	1	4	C#CC(C)(C)[N@@H+](C)C[C@@H](O)c1ccc(F)cc1
136229198	ZINC000184904607	ref	6.38	-7.63	0	247.338	2.784	1	2	7	C=C(C)C[C@@H](C)C(=O)NCCOc1ccccc1
178301484	ZINC000082797952	ref	4.38	-35.79	0	261.372	1.471	1	6	6	C[NH2+][C@@](C)(C[C@H](C)Sc1nncs1)C(=O)[O-]
192339530	ZINC000081925993	ref	6.75	-10.32	0	316.426	3.618	0	4	2	Cc1ccc(-c2ocnc2C(=O)N2CCSC(C)(C)C2)cc1
342078785	ZINC000625300046	ref	2.74	-14.42	0	279.312	1.052	1	4	5	Cc1ncc(S(=O)(=O)NCC[C@H]2CC2(F)F)n1C
342078786	ZINC000608854621	ref	5.66	-12.98	0	283.368	1.605	0	4	3	COC(=O)CC1CCN(C(=O)C2(C)CCOCC2)CC1
398248815	ZINC000286146226	high	4.23	-5.5	0	235.302	2.203	1	2	4	C#CC(C)(C)N(C)C[C@@H](O)c1ccc(F)cc1
342078787	ZINC000625297139	ref	3.99	-18.88	0	279.365	1.646	2	3	5	Cc1ccc(CS(=O)(=O)NCc2c[nH]cn2)cc1C
187169612	ZINC000125097905	ref	4.86	-42.59	1	287.363	2.603	1	4	7	COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2cnccn2)c1
398248817	ZINC000019801161	ref	0.7	-52.38	-1	224.282	-0.508	1	4	5	CC(C)[C@@H](NS(=O)(=O)N(C)C)C(=O)[O-]
192339533	ZINC000081928109	ref	8.88	-11.3	0	322.474	3.446	1	3	4	CCCc1c(C(=O)N2CCSC(C)(C)C2)[nH]c(C)c1C(C)=O
192339536	ZINC000081925724	ref	5.91	-9.32	0	322.43	1.779	1	4	4	COc1ccc(C(=O)NCC(=O)N2CCSC(C)(C)C2)cc1
398248820	ZINC000286178056	ref	6.31	-31.94	1	205.305	2.513	2	1	4	C=C(C)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1
178301492	ZINC000082797356	ref	1.75	-16.48	0	264.416	1.044	1	5	7	CN[C@](C)(C#N)C[C@H](C)SCCS(C)(=O)=O
342078788	ZINC000625297139	mid	3.96	-17.44	0	279.365	1.646	2	3	5	Cc1ccc(CS(=O)(=O)NCc2cnc[nH]2)cc1C
342078789	ZINC000625297139	low	4.47	-47.54	1	279.365	1.646	2	2	5	Cc1ccc(CS(=O)(=O)NCc2c[nH+]c[nH]2)cc1C
342078790	ZINC000625297139	low	4.46	-47.7	1	279.365	1.646	2	2	5	Cc1ccc(CS(=O)(=O)NCc2c[nH]c[nH+]2)cc1C
342078791	ZINC000046510703	ref	7.3	-49.83	1	295.386	1.797	2	2	4	CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1CCc1ccncc1
349534705	ZINC000093282472	ref	3.69	-33.87	1	273.373	0.905	2	4	6	COC[C@@H](O)C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1
214184865	ZINC000293582965	high	2.63	-52.34	-1	370.475	0.57	0	6	6	Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)CC[C@@H]3CCOC3)C2=O)n(C)n1
187169613	ZINC000125097905	high	3.69	-8.93	0	287.363	2.603	1	5	7	COc1cccc(O[C@@H](C)CN[C@@H](C)c2cnccn2)c1
187169614	ZINC000125098861	ref	5.47	-15.7	0	277.368	1.767	1	3	3	CCc1n[nH]c(=O)c(C(=O)N2CCC[C@@H](C)C2)c1CC
398248814	ZINC000449207430	high	5.05	-6.57	0	249.358	2.265	1	4	4	C[C@@H]1OCC[C@@H]1NCc1ccnn1C1CCCC1
178301485	ZINC000237180071	ref	3.4	-51.8	1	373.457	1.245	1	6	7	C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2nc(-c3ccc(OC)cc3)no2)CC1
197592721	ZINC000290091359	ref	5.64	-12.31	0	261.321	1.985	1	3	2	Cc1cccc(NC(=O)[C@@H]2OC[C@H]3COCC[C@@H]32)c1
349534710	ZINC000093282472	mid	4.16	-38.24	1	273.373	0.905	2	4	6	COC[C@@H](O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1
398248816	ZINC000647170611	ref	6.09	-43.84	1	249.354	2.49	1	2	6	CCOCc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1
398248818	ZINC000647170611	high	4.84	-4.46	0	249.354	2.49	1	3	6	CCOCc1ccc(CN[C@@H]2CO[C@@H](C)C2)cc1
168364695	ZINC000082587803	ref	0.93	-47.71	1	176.219	1.718	1	2	2	C[C@@H]([NH3+])Cc1ccc2ncoc2c1
178301489	ZINC000237180337	ref	6.36	-70.08	0	369.418	1.444	1	6	7	CN(C)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1cccc(F)c1
342078792	ZINC000046510703	mid	7.51	-44.4	1	295.386	1.797	2	2	4	CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1CCc1ccncc1
168364696	ZINC000095930131	ref	0.94	-43.12	1	188.271	0.393	2	3	3	C[C@@H]([NH3+])C[C@H](N)C(=O)OC(C)(C)C
168364700	ZINC000095930131	low	1.24	-123.64	2	188.271	0.393	2	2	3	C[C@@H]([NH3+])C[C@H]([NH3+])C(=O)OC(C)(C)C
168364702	ZINC000044410403	ref	1.76	-40.71	1	124.187	0.904	2	0	2	C[C@@H]([NH3+])Cc1ccc[nH]1
168364705	ZINC000076790314	ref	1.58	-42.29	1	191.234	0.93	2	3	2	C[C@@H]([NH3+])Cc1cn2cccc(O)c2n1
168366034	ZINC000043297801	ref	0.86	-41.13	1	191.34	1.474	2	2	4	C[C@@H]([NH3+])[C@@H](SCCO)C(C)(C)C
342078793	ZINC000046510703	mid	5.36	-10.24	0	295.386	1.797	1	3	4	CNC(=O)[C@@H]1Cc2ccccc2CN1CCc1ccncc1
342078794	ZINC000625297757	ref	2.73	-14.61	0	294.38	1.263	2	4	5	Cc1ccc(S(=O)(=O)NCc2c[nH]cn2)cc1N(C)C
342078795	ZINC000625297757	mid	2.7	-13.06	0	294.38	1.263	2	4	5	Cc1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1N(C)C
342078796	ZINC000625297757	low	3.21	-43.68	1	294.38	1.263	2	3	5	Cc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1N(C)C
342078797	ZINC000625297757	low	3.19	-43.69	1	294.38	1.263	2	3	5	Cc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1N(C)C
342078798	ZINC000046503307	ref	4.31	-13.05	0	296.367	1.721	1	5	5	COC(=O)c1oc(CN(C)CC(=O)NC(C)(C)C)cc1C
168364694	ZINC000368498906	low	6.19	-51.04	1	335.839	3.083	1	5	5	COc1ncc([C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1Cl
168364697	ZINC000368498742	ref	6.59	-11.86	0	331.759	3.023	1	4	2	O=C(c1n[nH]c2ccc(Cl)cc12)N1CCOC[C@H]1c1ccco1
398248819	ZINC000076867630	ref	6.95	-44.4	1	236.384	3.206	1	2	4	Cc1nc(C)c(C[NH2+]C[C@H]2CC=CCC2)s1
178301496	ZINC000031943791	ref	7.66	-7.2	0	202.301	3.378	1	1	2	Cc1cc2nc(CC(C)C)[nH]c2cc1C
178301498	ZINC000031943791	low	7.58	-26.07	1	202.301	3.378	1	0	2	Cc1cc2[nH]c(CC(C)C)[nH+]c2cc1C
398248821	ZINC000076853266	ref	6.49	-15.22	0	244.294	1.925	0	3	3	CN(CCC#N)C(=O)[C@H]1CCOc2ccccc21
168366037	ZINC000016576645	ref	-4.84	-8.07	0	152.219	-0.989	2	4	2	C[C@@H](N)S(=O)(=O)[C@H](C)N
365634027	ZINC000274353836	high	1.76	-3.98	0	292.402	1.432	0	4	4	CCN1CCN([C@H]2CCN(Cc3cncc(F)c3)C2)CC1
365634031	ZINC000274354637	ref	2.01	-6.77	0	255.339	1.36	1	4	3	C[C@H](O)C[C@@H]1COCCN1C(=O)c1cccs1
365634037	ZINC000637719965	ref	5.72	-12.09	0	291.395	1.935	0	4	6	CCCCN(C(=O)[C@H]1COCCN1CC)c1ccccn1
365634044	ZINC000274355659	ref	5.43	-17.0	0	262.313	1.206	1	4	3	CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cncnc1
178301500	ZINC000097757452	ref	1.38	-9.7	0	227.607	2.28	1	5	1	Cc1cc2nc(N)oc2c([N+](=O)[O-])c1Cl
178301507	ZINC000001635517	ref	8.84	-9.02	0	236.318	3.771	1	1	2	Cc1cc2nc(Cc3ccccc3)[nH]c2cc1C
178301512	ZINC000001635517	low	9.29	-29.73	1	236.318	3.771	1	0	2	Cc1cc2[nH]c(Cc3ccccc3)[nH+]c2cc1C
398248822	ZINC000069838801	ref	4.76	-49.86	1	200.326	1.762	1	1	7	CCCCN(CC)C(=O)CC[C@@H](C)[NH3+]
398248825	ZINC000023070828	ref	3.32	-47.09	1	237.299	1.884	1	3	4	CCOC[C@H]([NH3+])c1ccc2c(c1)OCCCO2
398248826	ZINC000023070828	high	2.97	-5.93	0	237.299	1.884	1	4	4	CCOC[C@H](N)c1ccc2c(c1)OCCCO2
398248828	ZINC000076865338	ref	5.52	-44.92	1	247.367	3.006	1	3	4	Cc1nc(C)c(C[NH2+][C@@H](C)c2cccnc2)s1
178301533	ZINC000051943282	ref	4.03	-5.94	0	239.076	1.678	1	4	0	Cc1cc2nc(N)nnc2cc1Br
349534707	ZINC000618814020	ref	4.26	-19.97	0	277.353	1.204	0	6	4	CSc1cc(C(=O)N(C)Cc2cn(C)nn2)ccn1
398248829	ZINC000076865338	mid	4.43	-7.44	0	247.367	3.006	1	4	4	Cc1nc(C)c(CN[C@@H](C)c2cccnc2)s1
398248831	ZINC000069838850	ref	3.61	-94.6	2	229.368	0.962	3	1	9	CC[NH+](CC)CCCNC(=O)CC[C@H](C)[NH3+]
178301491	ZINC000237180337	mid	6.36	-70.08	0	369.418	1.444	2	5	7	Cn1cc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1C(=O)[O-]
178301495	ZINC000237190881	ref	3.42	-46.06	1	370.291	1.412	2	3	7	COc1ccc(CCC(=O)NCCN2CC[NH2+]CC2)cc1Br
349534708	ZINC000621492722	ref	8.5	-9.5	0	286.366	3.253	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CCC[C@H](C2CCC2)C1
349534712	ZINC000621494264	ref	7.11	-9.98	0	274.355	3.109	1	1	3	CC(C)(C)[C@@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349534716	ZINC000621492768	ref	7.37	-9.88	0	294.37	3.022	1	2	5	COc1ccc(F)c(CNC(=O)N(C)C[C@H]2CC2(C)C)c1
299072184	ZINC000459274567	ref	6.26	-44.43	1	305.422	2.686	3	2	6	COCc1ccccc1NC(=O)NCC[C@@H]1CCC[N@H+](C)C1
398248823	ZINC000286178056	mid	6.63	-29.61	1	205.305	2.513	2	1	4	C=C(C)CC[N@H+]1CCC[C@@H]1c1cc[nH]n1
178301502	ZINC000237191162	ref	4.21	-59.21	1	350.507	1.051	1	3	3	CN1CCN(C(=O)CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)CC1
168364699	ZINC000368498742	mid	6.36	-11.39	0	331.759	3.023	1	4	2	O=C(c1[nH]nc2ccc(Cl)cc12)N1CCOC[C@H]1c1ccco1
398248824	ZINC000286178056	high	3.93	-4.75	0	205.305	2.513	1	2	4	C=C(C)CCN1CCC[C@@H]1c1cc[nH]n1
178301504	ZINC000237191162	mid	6.56	-107.04	2	350.507	1.051	2	2	3	C[NH+]1CCN(C(=O)CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)CC1
323004515	ZINC000150981969	ref	8.87	-14.77	0	236.319	1.97	1	4	3	C[C@H]1CCC[C@H](CC(=O)Nc2ncnn2C)C1
168364703	ZINC000368497946	ref	9.16	-35.56	1	328.387	3.251	1	2	5	C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1ccc(Oc2ccccc2)cc1
398248827	ZINC000286175435	ref	6.21	-11.83	0	246.358	1.848	0	4	3	C#CC(C)(C)N(C)Cc1nnc2n1CCCCC2
178301505	ZINC000237191162	high	4.67	-10.58	0	350.507	1.051	1	4	3	CN1CCN(C(=O)CC2CCN(C(=O)C3(N)CCCCC3)CC2)CC1
398248830	ZINC000286175435	low	8.57	-38.32	1	246.358	1.848	1	3	3	C#CC(C)(C)[N@H+](C)Cc1nnc2n1CCCCC2
168366041	ZINC000036904311	ref	-0.46	-47.25	1	195.218	0.796	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)OCO2
398248832	ZINC000286175435	low	8.38	-39.02	1	246.358	1.848	1	3	3	C#CC(C)(C)[N@@H+](C)Cc1nnc2n1CCCCC2
398248833	ZINC000100406991	ref	5.68	-48.71	-1	206.22	2.328	0	2	2	CCc1cc(=O)n(-c2ccccc2F)[n-]1
398248835	ZINC000100406991	mid	5.83	-15.71	0	206.22	2.328	1	2	2	CCc1cc(=O)n(-c2ccccc2F)[nH]1
398248837	ZINC000100406995	ref	5.75	-16.06	0	206.22	2.328	1	2	2	CCc1cc(=O)n(-c2cccc(F)c2)[nH]1
398248838	ZINC000100406995	mid	5.65	-40.02	-1	206.22	2.328	0	2	2	CCc1cc(=O)n(-c2cccc(F)c2)[n-]1
365634035	ZINC000641599232	ref	3.31	-32.17	1	269.345	1.192	3	3	4	C[NH+](C)C[C@@H](CO)N=c1[nH]c2ccc(F)cc2s1
365634040	ZINC000641599232	mid	0.93	-6.67	0	269.345	1.192	2	4	4	CN(C)C[C@@H](CO)N=c1[nH]c2ccc(F)cc2s1
214184866	ZINC000337624217	ref	4.14	-21.96	0	291.355	0.964	1	5	5	COCCn1ccc(=NC(=O)[C@@H](C)n2nc(C)cc2C)[nH]1
365634046	ZINC000641601277	ref	2.44	-10.09	0	270.288	1.548	1	4	2	O=C(c1coc(-c2ccccc2)n1)N1C[C@H]2C[C@@]2(O)C1
365634052	ZINC000641601081	ref	1.9	-11.28	0	291.413	1.432	1	4	5	CC1(C)C[C@@H](NS(=O)(=O)CC[C@H]2CCCCO2)CO1
178301494	ZINC000082798424	ref	3.83	-42.55	1	261.412	2.298	1	3	6	CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)c1cccs1
214184870	ZINC000337623718	ref	3.93	-16.73	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC(=O)[C@@H](C)C1
214184873	ZINC000337623013	ref	7.87	-10.38	0	286.297	3.363	0	2	5	CCN(CCC1CC1)C(=O)c1ccncc1C(F)(F)F
178301497	ZINC000082796496	ref	6.72	-47.51	1	252.317	2.512	2	1	2	O=C(Nc1ccccc1)[C@H]1C[NH2+]Cc2ccccc21
214184877	ZINC000337622291	ref	3.41	-9.08	0	295.379	0.927	2	4	8	Cc1ccc([C@H](C)[C@@H](O)C(=O)N(C)CCOCCO)cc1
178301499	ZINC000082796496	high	4.99	-9.34	0	252.317	2.512	2	2	2	O=C(Nc1ccccc1)[C@H]1CNCc2ccccc21
342078799	ZINC000046503307	low	6.47	-49.72	1	296.367	1.721	2	4	5	COC(=O)c1oc(C[N@H+](C)CC(=O)NC(C)(C)C)cc1C
365634058	ZINC000641601680	ref	4.39	-12.09	0	257.359	1.361	1	3	5	CN(Cc1c[nH]cn1)S(=O)(=O)CC1(C)CCC1
365634063	ZINC000641601680	mid	4.48	-12.45	0	257.359	1.361	1	3	5	CN(Cc1cnc[nH]1)S(=O)(=O)CC1(C)CCC1
214184879	ZINC000337621277	ref	3.28	-17.03	0	286.295	0.888	3	5	3	C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1nc[nH]n1
342078800	ZINC000046503307	low	6.57	-49.46	1	296.367	1.721	2	4	5	COC(=O)c1oc(C[N@@H+](C)CC(=O)NC(C)(C)C)cc1C
214184883	ZINC000337621277	mid	3.77	-16.92	0	286.295	0.888	3	5	3	C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1nnc[nH]1
342078801	ZINC000608854389	ref	2.28	-14.42	0	265.338	1.515	2	4	5	CC(C)C[C@@H](C#N)NC(=O)c1ccc(C(N)=O)s1
365634068	ZINC000641601680	low	4.99	-38.1	1	257.359	1.361	1	2	5	CN(Cc1c[nH+]c[nH]1)S(=O)(=O)CC1(C)CCC1
214184885	ZINC000337622129	ref	5.58	-8.39	0	281.44	3.26	2	2	4	CC1(C)CCC(CC(=O)NC[C@H]2CCCC[C@@H]2O)CC1
214184889	ZINC000337621900	ref	4.76	-8.43	0	263.328	2.431	1	2	5	CCCC[C@H](C)C(=O)N1CCC(O)(C(F)F)CC1
365634073	ZINC000641601680	low	5.01	-37.64	1	257.359	1.361	1	2	5	CN(Cc1c[nH]c[nH+]1)S(=O)(=O)CC1(C)CCC1
365634079	ZINC000479906350	ref	2.59	-10.41	0	292.379	1.827	2	4	7	CC[C@@H](O)CCCNC(=O)[C@H]1CCO[C@@H]1c1cccnc1
349534709	ZINC000618813737	ref	5.64	-19.25	0	250.346	1.6	0	4	3	C[C@@H]1CCC[C@@H](C(=O)N(C)Cc2cn(C)nn2)C1
365634048	ZINC000274353517	ref	4.42	-6.97	0	288.351	1.812	2	4	4	O=C(NCCC1=CCCCCC1)C(=O)Nc1cncnc1
282122415	ZINC000151662947	mid	7.99	-39.65	1	322.474	2.316	2	3	6	Cc1cccc(OC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCSCC2)c1
365634055	ZINC000274353453	ref	4.25	-11.33	0	299.317	1.506	1	3	4	C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1cccc(F)c1F
282122419	ZINC000151663018	ref	5.89	-7.93	0	322.474	2.316	1	4	6	Cc1cccc(OC[C@H](C)NC(=O)[C@H](C)N2CCSCC2)c1
178301508	ZINC000237194039	ref	3.92	-55.73	1	360.52	1.064	1	4	8	COCCCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1
365634060	ZINC000637719964	ref	6.07	-12.23	0	291.395	1.935	0	4	6	CCCCN(C(=O)[C@@H]1COCCN1CC)c1ccccn1
178301510	ZINC000237196992	ref	5.22	-46.35	1	370.291	1.628	2	3	8	COCC[NH2+]CC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1
178301515	ZINC000237196992	high	3.87	-11.28	0	370.291	1.628	2	4	8	COCCNCC(=O)NC[C@H]1CCN(c2ccc(Br)cc2)C1
178301518	ZINC000237184073	ref	4.4	-57.37	1	359.474	1.724	1	5	5	COc1nn(C)c2nc(C)c(CCC(=O)N3CCC(C[NH3+])CC3)c(C)c12
365634066	ZINC000274354636	ref	1.64	-7.03	0	255.339	1.36	1	4	3	C[C@H](O)C[C@H]1COCCN1C(=O)c1cccs1
342078802	ZINC000608854284	ref	9.1	-24.91	0	270.336	1.947	0	4	5	CCCN(CC#N)C(=O)Cc1cn2cccc(C)c2n1
365634071	ZINC000274355321	ref	3.0	-46.3	1	295.379	1.819	2	4	7	COC[C@H](CCO)[NH2+]Cc1ccc2c(c1)COC(C)(C)O2
365634075	ZINC000274355321	high	1.55	-8.73	0	295.379	1.819	2	5	7	COC[C@H](CCO)NCc1ccc2c(c1)COC(C)(C)O2
342078803	ZINC000608854284	low	9.39	-37.66	1	270.336	1.947	0	3	5	CCCN(CC#N)C(=O)Cc1cn2cccc(C)c2[nH+]1
178301520	ZINC000237190876	ref	2.93	-41.98	1	355.866	1.066	2	4	9	COCC[NH2+]CC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1
349534714	ZINC000618813822	ref	5.16	-14.29	0	266.251	1.366	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1c(F)cccc1F
349534717	ZINC000618814115	ref	3.77	-35.23	0	287.323	1.046	1	5	4	CC(=O)Nc1cccc(C(=O)N(C)Cc2cn(C)nn2)c1
365634081	ZINC000274355777	ref	-0.06	-15.45	0	284.266	1.62	4	3	4	Cc1ccc(NC(=O)NCC(F)(F)CO)c2n[nH]cc12
282952174	ZINC000345204843	ref	4.4	-16.93	0	316.467	1.887	1	3	5	CCS(=O)(=O)NC1CCN(C(=O)CC2(C)CCCC2)CC1
168364717	ZINC000134568627	ref	5.63	-8.05	0	249.358	2.632	1	3	6	CCC(CC)CNc1ccc(C(=O)N(C)C)cn1
342078804	ZINC000625296515	ref	6.05	-42.97	1	252.28	1.785	2	1	3	C[C@@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)C(F)(F)F
342078805	ZINC000625296515	mid	5.52	-41.07	1	252.28	1.785	2	1	3	C[C@@H](CC(=O)N[C@H]1CCC[N@@H+](C)C1)C(F)(F)F
342078806	ZINC000625296515	high	3.15	-6.44	0	252.28	1.785	1	2	3	C[C@@H](CC(=O)N[C@H]1CCCN(C)C1)C(F)(F)F
342078807	ZINC000625297013	ref	6.67	-40.97	1	287.367	1.333	2	4	5	C[N@H+](CCNC(=O)c1ccnc2ccnn12)C1CCCC1
282122417	ZINC000423041143	ref	4.6	-35.42	1	298.427	1.322	2	4	8	CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1CNCCO1)C(=O)OC
185088524	ZINC000096072163	ref	7.97	-37.91	1	275.396	2.169	1	3	3	Cn1cc([C@@H]2CO[C@]3(CC[N@H+](CC4CCC4)C3)C2)cn1
178301517	ZINC000082798002	ref	3.57	-41.76	0	261.372	1.519	1	6	5	Cc1nnc(S[C@H](C)C[C@](C)([NH3+])C(=O)[O-])s1
185088526	ZINC000096072163	mid	7.93	-39.33	1	275.396	2.169	1	3	3	Cn1cc([C@@H]2CO[C@]3(CC[N@@H+](CC4CCC4)C3)C2)cn1
185088528	ZINC000096072958	ref	6.7	-8.07	0	262.353	2.056	0	3	1	C[C@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1
185088530	ZINC000096074707	ref	3.1	-36.44	1	267.398	1.44	1	4	2	C[N@@H+]1CCOCC12CCN(Cc1nccs1)CC2
342078808	ZINC000625297013	mid	6.68	-40.94	1	287.367	1.333	2	4	5	C[N@@H+](CCNC(=O)c1ccnc2ccnn12)C1CCCC1
342078809	ZINC000067631413	ref	6.55	-40.06	1	278.4	1.428	2	3	6	Cc1cnn(CCC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1
185088531	ZINC000096074707	mid	3.1	-34.97	1	267.398	1.44	1	4	2	C[N@H+]1CCOCC12CCN(Cc1nccs1)CC2
185088533	ZINC000096074707	mid	0.86	-3.92	0	267.398	1.44	0	5	2	CN1CCOCC12CCN(Cc1nccs1)CC2
342078810	ZINC000067631413	mid	6.47	-39.8	1	278.4	1.428	2	3	6	Cc1cnn(CCC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)c1
342078811	ZINC000608855991	ref	4.96	-11.63	0	286.339	1.455	2	7	4	N#CCCn1ncc2c(N[C@H]3CCCC[C@@H]3O)ncnc21
342078812	ZINC000608855991	low	5.34	-39.84	1	286.339	1.455	2	6	4	N#CCCn1ncc2c(N[C@H]3CCCC[C@@H]3O)[nH+]cnc21
178301532	ZINC000082796503	ref	4.8	-51.57	1	253.305	1.907	2	2	2	O=C(Nc1ccncc1)[C@@H]1C[NH2+]Cc2ccccc21
168364706	ZINC000368499190	ref	7.72	-58.12	1	326.396	3.219	2	3	6	O=C1CC[C@@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@H](C2CC2)N1
178301535	ZINC000082796503	high	3.28	-10.73	0	253.305	1.907	2	3	2	O=C(Nc1ccncc1)[C@@H]1CNCc2ccccc21
178301536	ZINC000082798376	ref	2.74	-49.33	1	261.774	2.24	1	2	4	C[C@@H](C[C@@H](C)[NH3+])S(=O)(=O)c1ccc(Cl)cc1
342078813	ZINC000046513806	ref	4.19	-15.13	0	279.292	1.921	1	5	5	CCOc1cc(NC(=O)C2=COCCO2)ccc1OC
398248834	ZINC000069838825	ref	5.65	-48.19	1	226.364	2.295	1	1	5	CCN(C(=O)CC[C@@H](C)[NH3+])C1CCCCC1
398248836	ZINC000650439963	ref	6.08	-11.55	0	219.275	2.728	1	1	7	CC(F)(F)CCNC(=O)CCCC1CC1
398248839	ZINC000313447706	ref	10.08	-49.14	1	249.402	3.222	1	2	8	CCC[C@@H]([NH2+]CCCn1ccnc1)C1CCCC1
398248840	ZINC000313447706	low	10.59	-97.53	2	249.402	3.222	1	1	8	CCC[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CCCC1
398248842	ZINC000408150493	ref	2.46	-22.94	0	247.36	0.972	1	3	3	C[C@@H]1CC[C@@H](NC(=O)CS(C)(=O)=O)[C@H](C)C1
398248848	ZINC000076868712	ref	3.68	-9.31	0	236.344	1.783	1	5	4	Cc1nc(C)c(CNCc2nccn2C)s1
178301523	ZINC000237190876	high	1.58	-9.01	0	355.866	1.066	2	5	9	COCCNCC(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1
398248851	ZINC000076868712	mid	5.06	-46.76	1	236.344	1.783	1	4	4	Cc1nc(C)c(C[NH2+]Cc2nccn2C)s1
398248854	ZINC000097975349	ref	7.9	-45.86	-1	229.235	1.844	0	4	2	Cc1cc(C(=O)[O-])cn(-c2ccccc2)c1=O
398248858	ZINC000408150494	ref	2.23	-22.92	0	247.36	0.972	1	3	3	C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)CS(C)(=O)=O
398248861	ZINC000644905886	ref	6.94	-10.08	0	244.338	2.347	1	2	5	C[C@@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)c1ccncc1
398248866	ZINC000650440005	ref	1.3	-13.26	0	241.316	1.306	3	4	4	CSc1cccnc1NC(=O)N[C@H](C)CO
398248870	ZINC000647170609	ref	6.06	-43.72	1	249.354	2.49	1	2	6	CCOCc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)cc1
398248873	ZINC000647170609	high	4.85	-4.31	0	249.354	2.49	1	3	6	CCOCc1ccc(CN[C@H]2CO[C@H](C)C2)cc1
398248876	ZINC000390783294	ref	4.42	-37.33	1	210.321	1.241	1	1	1	C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2[NH2+]CC2(C)C)C1
178301524	ZINC000237191311	ref	5.9	-46.85	1	360.502	1.968	3	2	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](NC(=O)NCc2ccccc2)C(C)C)C1
398248879	ZINC000390783294	high	2.79	-6.95	0	210.321	1.241	1	2	1	C[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2NCC2(C)C)C1
398248883	ZINC000076879067	ref	5.88	-9.21	0	231.295	2.077	1	2	2	C[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCOc2ccccc21
398248887	ZINC000069838741	ref	4.08	-53.43	1	238.356	2.474	2	2	5	CSc1cccc(NC(=O)CC[C@H](C)[NH3+])c1
398248890	ZINC000390788469	ref	1.33	-37.71	1	212.293	0.28	2	2	2	CC1(C)C[NH2+][C@@H]1C(=O)NC1CCOCC1
398248895	ZINC000390788469	high	-0.25	-6.45	0	212.293	0.28	2	3	2	CC1(C)CN[C@@H]1C(=O)NC1CCOCC1
398248898	ZINC000069838877	ref	-1.52	-51.84	1	229.324	-0.438	2	3	6	C[C@H]([NH3+])CCC(=O)NCCN1CCOCC1
398248902	ZINC000069838877	low	0.92	-99.97	2	229.324	-0.438	3	2	6	C[C@H]([NH3+])CCC(=O)NCC[NH+]1CCOCC1
398248906	ZINC000644905905	ref	1.59	-10.53	0	245.298	0.558	3	2	4	CNC(=O)[C@H]1CCC[C@H]1NC(=O)N[C@@H](C)CF
398248908	ZINC000076865115	ref	6.7	-44.28	1	232.352	3.05	1	2	4	Cc1nc(C)c(C[NH2+]Cc2ccccc2)s1
178301528	ZINC000237185695	ref	3.69	-61.84	1	359.474	1.77	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])c(C)c12
168364708	ZINC000368499190	high	6.55	-10.17	0	326.396	3.219	2	4	6	O=C1CC[C@@H](NCc2ccc(Oc3ccccc3)o2)[C@H](C2CC2)N1
178301531	ZINC000237186457	ref	6.17	-51.48	1	373.457	1.039	2	5	4	CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H](C[NH3+])C3)cc(C(C)C)nc21
214184867	ZINC000278485793	low	8.44	-49.61	1	321.373	1.916	1	5	8	CCC[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC(=O)OC
178301534	ZINC000237186457	high	4.35	-78.23	0	373.457	1.039	1	5	4	CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC[C@H](C[NH3+])C3)cc(C(C)C)nc21
178301538	ZINC000237187500	ref	8.09	-95.13	2	358.486	1.933	3	2	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1)[C@H]1CCC[N@H+](C)C1
178301540	ZINC000237187500	mid	7.67	-86.49	2	358.486	1.933	3	2	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1)[C@H]1CCC[N@@H+](C)C1
178301546	ZINC000237187500	high	5.28	-47.54	1	358.486	1.933	2	3	4	CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1
214184868	ZINC000278485793	low	8.42	-50.05	1	321.373	1.916	1	5	8	CCC[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)CC(=O)OC
342078814	ZINC000625298860	ref	5.22	-33.26	1	257.374	1.683	1	3	5	COC1(C)CC[NH+](CCOC2CCOCC2)CC1
168364710	ZINC000368496391	ref	9.28	-37.71	1	331.46	3.392	2	2	4	O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC2(CCC2)CC1
214184876	ZINC000278485584	ref	6.19	-9.26	0	322.412	3.471	1	5	7	Cc1ccncc1CCCNCc1noc(-c2ccccc2C)n1
178301548	ZINC000237187500	high	3.92	-11.62	0	358.486	1.933	2	4	4	CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)[C@H]3CCCCN3)cc2)C1
178301551	ZINC000237197589	ref	4.99	-52.2	1	366.465	1.642	2	3	5	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])c3ccccc3)c2)CC1
214184880	ZINC000278485584	mid	7.54	-46.53	1	322.412	3.471	1	4	7	Cc1ccncc1CCC[NH2+]Cc1noc(-c2ccccc2C)n1
168366046	ZINC000037452810	ref	-0.1	-48.9	1	194.198	-0.256	2	5	3	C[C@@H]([NH3+])Cc1nc(-c2nc[nH]n2)no1
214184884	ZINC000278485584	low	7.99	-92.12	2	322.412	3.471	1	3	7	Cc1cc[nH+]cc1CCC[NH2+]Cc1noc(-c2ccccc2C)n1
214184887	ZINC000278484804	ref	6.53	-56.04	1	319.405	2.419	1	4	6	Cc1c([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-]
349534711	ZINC000594969915	high	5.43	-8.14	0	298.308	2.828	2	3	5	C[C@@H](NCc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1
365634067	ZINC000623065407	ref	2.96	-44.51	1	304.213	1.633	2	3	2	C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ncc(Br)s1
365634074	ZINC000623066406	ref	4.51	-48.22	1	307.785	1.601	2	4	4	C[C@H]([NH3+])[C@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
214184871	ZINC000293583770	ref	0.04	-8.39	0	365.43	0.476	2	6	5	COc1cc(NC(=O)C(=O)N2CCN(C[C@@H](C)O)CC2)cc(OC)c1C
187169615	ZINC000125098870	ref	4.25	-15.26	0	297.706	1.388	2	8	6	CNc1c(Cl)ncnc1NCCn1cc([N+](=O)[O-])cn1
197592728	ZINC000162800586	ref	4.57	-12.34	0	323.414	2.125	1	4	5	CC(=O)c1ccc(S(=O)(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)cc1
365634080	ZINC000623065711	ref	4.06	-56.17	1	321.425	1.527	2	4	4	COCCn1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1
365634085	ZINC000623065722	ref	3.66	-49.94	1	300.362	1.041	3	3	2	CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1
365634089	ZINC000623065722	mid	2.6	-74.81	0	300.362	1.041	2	3	2	CC1(C)C[NH2+]CC[C@@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1
342595551	ZINC000616966072	ref	3.53	-17.71	0	280.755	1.622	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1ccc(Cl)cc1
365634094	ZINC000623065495	ref	2.14	-57.53	1	318.402	1.512	4	4	4	O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1ncc(-c2ccccc2)s1
365634101	ZINC000623065907	ref	5.44	-51.52	1	314.389	1.385	2	3	4	CC[NH2+]CC1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1
342595552	ZINC000616966545	ref	3.73	-19.7	0	290.363	1.031	2	3	8	O=C(CCCOCCc1ccccc1)N[C@@H]1CCNC1=O
365634106	ZINC000623065907	mid	4.37	-75.29	0	314.389	1.385	1	3	4	CC[NH2+]CC1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1
365634110	ZINC000623065404	ref	2.56	-43.98	1	304.213	1.633	2	3	2	C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ncc(Br)s1
290622499	ZINC000280715239	ref	2.82	-16.74	0	281.381	1.358	1	4	2	CNC(=O)[C@]1(C)CCN(C(=O)c2sc(C)nc2C)C1
342595553	ZINC000616966244	ref	4.36	-18.78	0	260.337	1.322	2	2	5	Cc1ccc(CCCC(=O)N[C@H]2CCNC2=O)cc1
365634116	ZINC000623065528	ref	1.92	-58.84	1	311.407	1.21	3	3	3	C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1
398248841	ZINC000336779453	ref	7.65	-53.01	1	240.376	1.436	1	4	4	C[C@@H]([NH2+]Cc1nncn1C)C1CCSCC1
199273022	ZINC000181265264	high	3.99	-8.41	0	314.433	2.728	2	5	5	C[C@@H](O)CN(Cc1nc(N)c2ccccc2n1)C1CCCCC1
342595554	ZINC000616967501	ref	3.65	-19.55	0	298.346	1.107	2	4	3	Cc1cccc(-n2ncc(C(=O)N[C@H]3CCNC3=O)c2C)c1
342595555	ZINC000616966544	ref	3.74	-19.68	0	290.363	1.031	2	3	8	O=C(CCCOCCc1ccccc1)N[C@H]1CCNC1=O
365634077	ZINC000354703964	ref	4.79	-8.34	0	265.256	1.24	1	4	8	C/C=C\C[C@H](NC(=O)COC(F)F)C(=O)OCC
365634082	ZINC000354704704	ref	3.78	-15.03	0	297.355	1.221	1	4	6	Cn1ccc(CCNS(=O)(=O)Cc2ccc(F)cc2)n1
365634086	ZINC000354705377	ref	4.81	-16.64	0	281.352	1.866	1	2	4	O=C(C/C=C/c1cccc(F)c1)N[C@@H]1CC[S@](=O)C1
365634091	ZINC000354704204	ref	1.51	-8.18	0	296.367	1.718	1	5	4	Cc1oc(C(C)C)nc1C(=O)N1CCOC[C@H]1C[C@@H](C)O
282122420	ZINC000423041143	low	5.96	-115.62	2	298.427	1.322	2	3	8	CCC(CC)(C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)C(=O)OC
365634095	ZINC000354705195	ref	4.94	-10.6	0	278.356	1.688	1	5	6	COC[C@H](C)CC(=O)Nc1cncnc1N1CCCC1
365634099	ZINC000354704171	ref	5.82	-14.38	0	283.368	1.651	1	4	6	COC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC[C@@H]1CCCCO1
365634105	ZINC000354704509	ref	3.62	-21.38	0	297.376	1.101	1	4	6	CCOc1ccc(OCC(=O)N[C@H]2CC[S@@](=O)C2)cc1
365634111	ZINC000354704203	ref	1.93	-7.55	0	296.367	1.718	1	5	4	Cc1oc(C(C)C)nc1C(=O)N1CCOC[C@@H]1C[C@@H](C)O
342078815	ZINC000625298860	high	2.92	-4.01	0	257.374	1.683	0	4	5	COC1(C)CCN(CCOC2CCOCC2)CC1
342078816	ZINC000625297414	ref	0.8	-5.59	0	251.33	1.486	1	4	4	COc1cncc(C[NH+]2CCC(C)(OC)CC2)n1
365634115	ZINC000354704319	ref	0.55	-14.65	0	295.339	1.19	2	5	8	COc1ncc(NC(=O)CCOCC(C)C)cc1C(N)=O
342078817	ZINC000625297414	mid	0.8	-5.59	0	251.33	1.486	0	5	4	COc1cncc(CN2CCC(C)(OC)CC2)n1
185386257	ZINC000096747865	ref	6.41	-7.68	0	311.765	3.892	1	2	4	O=S(=O)(/C=C\c1ccccc1)Nc1ccc(Cl)cc1F
290622500	ZINC000333229393	ref	4.93	-14.65	0	319.409	1.302	1	6	2	C[C@H]1CC[C@@H](c2nnc(N3CC(=O)N[C@@H]4CCCC[C@H]43)n2C)O1
365634119	ZINC000354704314	ref	5.22	-43.74	1	294.37	1.502	3	2	4	C[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1F
365634122	ZINC000354704314	high	2.85	-9.26	0	294.37	1.502	2	3	4	C[C@@H](C(=O)NCC1(O)CCN(C)CC1)c1ccccc1F
178301547	ZINC000082797954	ref	4.06	-39.38	0	261.372	1.471	1	6	6	C[NH2+][C@](C)(C[C@H](C)Sc1nncs1)C(=O)[O-]
365634128	ZINC000354704623	ref	7.82	-23.2	0	292.249	1.38	2	5	3	Cc1nc2cc(F)c(F)cc2n1CC(=O)Nc1nc[nH]n1
178301550	ZINC000082796501	ref	4.98	-50.68	1	253.305	1.907	2	2	2	O=C(Nc1ccncc1)[C@H]1C[NH2+]Cc2ccccc21
365634134	ZINC000354704623	low	8.26	-46.42	1	292.249	1.38	2	4	3	Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)Nc1nc[nH]n1
365634136	ZINC000354704323	ref	4.07	-43.47	1	291.395	1.148	3	3	5	C[C@@H](CC(=O)NCC1(O)CC[NH+](C)CC1)c1cccnc1
398248843	ZINC000650874267	ref	2.3	-10.57	0	284.4	1.796	3	3	5	C[C@@H](NC(=O)NCC[C@@]1(O)CCCOC1)C1CCCC1
178301549	ZINC000005379687	ref	3.72	-25.93	1	205.261	1.584	3	2	3	Cc1cc2[nH]c(NCCO)[nH+]c2cc1C
168364709	ZINC000076790314	high	2.31	-62.61	0	191.234	0.93	1	3	2	C[C@@H]([NH3+])Cc1cn2cccc([O-])c2n1
343993868	ZINC000599270424	mid	5.52	-40.88	1	273.373	1.192	2	4	9	CCOC(=O)C[C@@H](O)C[N@@H+](CCOC)C1CCCC1
178301552	ZINC000005379687	mid	3.24	-10.44	0	205.261	1.584	3	3	3	Cc1cc2nc(NCCO)[nH]c2cc1C
343993872	ZINC000599269741	ref	6.99	-11.89	0	298.383	1.633	0	4	2	COC(=O)C[C@H]1CCCCN1C(=O)N1C[C@H](C)O[C@H](C)C1
282122421	ZINC000151663018	mid	8.0	-39.21	1	322.474	2.316	2	3	6	Cc1cccc(OC[C@H](C)NC(=O)[C@H](C)[NH+]2CCSCC2)c1
282122423	ZINC000151651558	ref	5.37	-35.21	1	311.466	2.445	2	3	8	CCC[N@H+](CC1(CO)COC1)[C@H]1C[C@H](OCC)C12CCCC2
282122427	ZINC000151651558	mid	5.36	-34.82	1	311.466	2.445	2	3	8	CCC[N@@H+](CC1(CO)COC1)[C@H]1C[C@H](OCC)C12CCCC2
343993875	ZINC000599270302	ref	5.85	-40.91	1	252.358	1.542	2	3	6	C[N@@H+](C[C@@H]1CCCCO1)C[C@H](O)CC1(C#N)CC1
185088550	ZINC000096074602	ref	7.58	-39.65	1	294.439	2.28	1	2	3	CC[N@@H+]1CCOCC12CCN(C(=O)CC1CCCC1)CC2
185088552	ZINC000096074602	mid	7.58	-41.68	1	294.439	2.28	1	2	3	CC[N@H+]1CCOCC12CCN(C(=O)CC1CCCC1)CC2
214190604	ZINC000337634922	ref	5.51	-16.0	0	280.331	2.239	2	3	4	Cc1ccnc(C(=O)NCCc2cccc3[nH]ccc23)n1
178301560	ZINC000041580071	ref	4.02	-7.61	0	203.289	2.241	1	2	2	Cc1cc2nc(CN(C)C)[nH]c2cc1C
185088554	ZINC000096074602	mid	5.51	-8.16	0	294.439	2.28	0	3	3	CCN1CCOCC12CCN(C(=O)CC1CCCC1)CC2
185088557	ZINC000096072450	ref	7.31	-38.77	1	288.391	2.494	1	3	4	c1cncc(O[C@H]2CO[C@]3(CC[N@@H+](CC4CCC4)C3)C2)c1
168364715	ZINC000006036874	ref	4.17	-34.18	1	153.2	1.715	1	0	2	C[C@@H]([NH3+])Cc1ccccc1F
185088559	ZINC000096072450	mid	7.36	-37.54	1	288.391	2.494	1	3	4	c1cncc(O[C@H]2CO[C@]3(CC[N@H+](CC4CCC4)C3)C2)c1
185088562	ZINC000096072959	ref	6.75	-8.04	0	262.353	2.056	0	3	1	C[C@@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1
185088563	ZINC000096073424	ref	2.98	-9.03	0	279.384	1.817	1	4	5	COCC[C@H]1CO[C@@]2(CCCN(Cc3cc[nH]n3)C2)C1
168364719	ZINC000002004611	ref	-3.07	-35.78	1	75.111	-0.674	2	1	1	C[C@@H]([NH3+])CO
178301565	ZINC000041580071	mid	6.5	-40.06	1	203.289	2.241	2	1	2	Cc1cc2nc(C[NH+](C)C)[nH]c2cc1C
185088565	ZINC000096073424	mid	5.31	-35.74	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@@]2(CCC[N@H+](Cc3cc[nH]n3)C2)C1
214184875	ZINC000293583770	low	2.3	-43.86	1	365.43	0.476	3	5	5	COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@@H](C)O)CC2)cc(OC)c1C
178301553	ZINC000082796501	high	3.24	-10.53	0	253.305	1.907	2	3	2	O=C(Nc1ccncc1)[C@H]1CNCc2ccccc21
214184881	ZINC000293579083	ref	1.0	-16.77	0	360.48	0.493	2	6	8	COCC(C)(C)CNC(=O)[C@@H](C)NS(=O)(=O)c1c(C)nn(C)c1C
342078818	ZINC000625297216	ref	6.03	-43.34	1	290.363	1.427	2	3	2	C[N@@H+]1CCC[C@H](NC(=O)[C@]2(C)COc3ccccc3O2)C1
342078819	ZINC000625297216	mid	6.57	-45.14	1	290.363	1.427	2	3	2	C[N@H+]1CCC[C@H](NC(=O)[C@]2(C)COc3ccccc3O2)C1
178301561	ZINC000082796586	ref	7.31	-47.82	1	266.344	2.821	2	1	2	Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1
178301562	ZINC000082796586	high	5.67	-9.43	0	266.344	2.821	2	2	2	Cc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1
342078820	ZINC000625297216	mid	3.67	-9.9	0	290.363	1.427	1	4	2	CN1CCC[C@H](NC(=O)[C@]2(C)COc3ccccc3O2)C1
214184886	ZINC000293578630	ref	3.58	-29.43	0	355.398	0.45	1	5	1	Cn1[nH]cc2/c(=N\C(=O)C(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)ccnc1-2
214184891	ZINC000293578630	mid	3.43	-48.3	-1	355.398	0.45	0	5	1	Cn1[n-]cc2/c(=N\C(=O)C(=O)N3C[C@]4(CCCO4)[C@H]3C3CC3)ccnc1-2
178301567	ZINC000082797978	ref	-0.11	-45.81	1	259.4	1.525	2	4	5	Cc1csc(S[C@H](C)C[C@](C)([NH3+])C(N)=O)n1
178301569	ZINC000082797978	high	-0.28	-8.7	0	259.4	1.525	2	5	5	Cc1csc(S[C@H](C)C[C@](C)(N)C(N)=O)n1
178301572	ZINC000082797979	ref	-0.1	-45.51	1	259.4	1.525	2	4	5	Cc1csc(S[C@@H](C)C[C@@](C)([NH3+])C(N)=O)n1
214184894	ZINC000293582890	ref	5.33	-53.97	1	358.446	0.815	2	6	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1
214184898	ZINC000293582890	mid	5.58	-52.87	1	358.446	0.815	2	6	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1
361823461	ZINC000035973251	ref	6.27	-10.3	0	294.351	2.153	1	4	3	CC(C)(C)OC(=O)[C@H]1CCN(C(=O)NCc2ccco2)C1
361823469	ZINC000035781572	ref	2.47	-12.68	0	287.291	2.16	1	5	4	Cn1cc(Nc2ccc(S(=O)(=O)C(F)F)cc2)cn1
178301573	ZINC000082797979	high	-0.38	-7.46	0	259.4	1.525	2	5	5	Cc1csc(S[C@@H](C)C[C@@](C)(N)C(N)=O)n1
178301576	ZINC000082797130	ref	3.1	-10.18	0	256.4	2.301	1	6	6	CCN[C@](C)(C#N)C[C@@H](C)Sc1nncs1
361823481	ZINC000035928890	ref	5.89	-43.37	-1	285.299	2.36	2	4	4	COC(=O)c1ccc(O)c(NC(=O)Cc2ccccc2)c1
361823489	ZINC000035928890	mid	5.89	-43.37	-1	285.299	2.36	1	4	4	COC(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2)c1
342595556	ZINC000616966588	ref	3.0	-21.84	0	264.3	1.108	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1ccccc1F
342600519	ZINC000616999969	ref	5.56	-36.91	1	262.357	1.327	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccncn2)C1
342600520	ZINC000616999969	mid	5.53	-36.54	1	262.357	1.327	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccncn2)C1
214184878	ZINC000053465306	ref	3.45	-23.43	0	328.357	1.383	2	7	4	Cc1ccc(NC(=O)c2cc(C(N)=O)cs2)cc1-n1cnnn1
214184882	ZINC000053476380	ref	9.64	-20.89	0	336.391	3.178	1	4	5	O=C(CCCn1c(=O)oc2ccccc21)N[C@@H]1CCc2ccccc21
214184888	ZINC000053486934	ref	5.15	-8.47	0	326.422	2.01	0	6	2	CN(C(=O)c1cnsn1)C1CCN(C(=O)OC(C)(C)C)CC1
214184895	ZINC000053486296	ref	6.91	-10.12	0	342.464	3.499	1	4	4	O=C(NC[C@@H]1CCOC1)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1
342600521	ZINC000590841078	ref	4.91	-21.24	0	287.367	1.663	1	4	3	Cc1cnc(CCNC(=O)N2CCC[C@@](C)(C#N)C2)cn1
214184900	ZINC000053466028	ref	4.12	-15.19	0	340.335	2.981	0	7	7	COC(=O)c1ccc(OCCOc2ccc(-c3nnco3)cc2)cc1
342600522	ZINC000616999952	ref	5.78	-37.33	1	280.412	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@]23CCOC3)C1
214184905	ZINC000053486306	ref	7.76	-9.82	0	342.464	3.499	1	4	4	O=C(NC[C@@H]1CCOC1)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1
214184909	ZINC000053493323	ref	3.0	-11.1	0	348.424	2.524	2	5	4	COc1ccc(OC)c2c1CN(C(=O)NCc1cccs1)C[C@H]2O
214184914	ZINC000053465555	ref	7.35	-12.54	0	328.412	3.305	2	3	5	CC(=O)N[C@@H](C(=O)N[C@H](C)c1cc2ccccc2o1)C1CCCC1
214184925	ZINC000053471674	ref	2.21	-14.22	0	341.371	1.957	4	4	5	C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(NC(=O)NC2CC2)cc1
187169616	ZINC000125095172	ref	7.25	-9.6	0	261.365	3.077	1	2	6	CCCOc1cccc(CC(=O)NC2(C)CCC2)c1
214184928	ZINC000053477065	ref	7.28	-19.93	0	346.427	2.223	1	4	8	CNC(=O)COc1ccc(C(=O)N(C2CC2)[C@H](C)C2CC2)cc1OC
293078524	ZINC000360632021	ref	5.8	-7.71	0	283.412	2.321	0	3	5	COC[C@H](C)[C@H](C)C(=O)N1CC(C)(C)[C@H]1[C@H]1CCCO1
342600523	ZINC000616999952	mid	5.78	-36.66	1	280.412	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@]23CCOC3)C1
342600524	ZINC000616999781	ref	6.51	-40.01	1	278.4	1.579	3	2	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]cn2)C1
342600525	ZINC000616999781	mid	6.47	-39.41	1	278.4	1.579	3	2	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]cn2)C1
398248844	ZINC000336779453	high	6.57	-10.66	0	240.376	1.436	1	5	4	C[C@@H](NCc1nncn1C)C1CCSCC1
178301554	ZINC000237197589	mid	4.68	-17.05	0	366.465	1.642	2	4	5	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H](N)c3ccccc3)c2)CC1
398248845	ZINC000100330090	ref	1.31	-51.29	-1	201.609	1.862	1	4	2	COc1cc(Cl)cc(/C=N/[O-])c1O
178301557	ZINC000237197589	low	7.34	-99.61	2	366.465	1.642	3	2	5	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]([NH3+])c3ccccc3)c2)CC1
398248849	ZINC000100330090	mid	0.29	-6.75	0	201.609	1.862	2	4	2	COc1cc(Cl)cc(/C=N/O)c1O
178301558	ZINC000237178668	ref	7.27	-91.55	2	353.894	1.904	3	2	9	COCC[NH2+]CC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1
365634087	ZINC000274354774	ref	1.53	-9.94	0	294.355	1.428	2	5	4	Cc1cnc(C(=O)N[C@H](C)CNC(=O)OC(C)(C)C)cn1
398248852	ZINC000286159751	ref	2.18	-7.75	0	238.674	1.495	1	3	3	C#C[C@H](C)NC(=O)c1cnc(OC)c(Cl)c1
398248857	ZINC000286164623	ref	6.91	-31.38	1	246.354	2.551	1	2	4	C#CC(C)(C)[N@@H+](C)Cc1ncc(C)c(OC)c1C
398248860	ZINC000286164623	mid	7.45	-30.85	1	246.354	2.551	1	2	4	C#CC(C)(C)[N@H+](C)Cc1ncc(C)c(OC)c1C
365634098	ZINC000274355091	ref	2.83	-9.95	0	266.32	1.068	1	3	3	CCNC(=O)N1CCN(Cc2cncc(F)c2)CC1
290623563	ZINC000265823170	ref	3.29	-12.47	0	313.423	1.194	1	4	3	CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C)cn1C
178301563	ZINC000237178668	high	3.63	-10.66	0	353.894	1.904	2	4	9	COCCNCC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
398248863	ZINC000286164623	mid	4.73	-6.11	0	246.354	2.551	0	3	4	C#CC(C)(C)N(C)Cc1ncc(C)c(OC)c1C
178301566	ZINC000237178668	high	4.97	-43.47	1	353.894	1.904	2	3	9	COCC[NH2+]CC(=O)NCC1CCN(Cc2ccccc2Cl)CC1
178301568	ZINC000237180123	ref	7.06	-52.39	1	357.458	1.8	1	5	7	Cc1c(C(=O)N(C)CCOCc2ccccc2)nnn1C1CC[NH2+]CC1
178301571	ZINC000237193189	ref	2.11	-60.18	1	355.402	1.662	2	7	4	CN(C)c1nc2cc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)ccc2o1
178301574	ZINC000237185522	ref	9.47	-88.53	2	355.486	1.354	2	3	6	C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1
398248865	ZINC000286164623	mid	6.0	-31.3	1	246.354	2.551	0	2	4	C#CC(C)(C)N(C)Cc1[nH+]cc(C)c(OC)c1C
262839518	ZINC000399589188	mid	8.8	-28.8	1	241.375	2.693	1	2	2	C[C@@H]1C[N@H+]([C@H](C)C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C
398248869	ZINC000286164623	low	7.79	-97.25	2	246.354	2.551	1	1	4	C#CC(C)(C)[N@@H+](C)Cc1[nH+]cc(C)c(OC)c1C
398248871	ZINC000286164623	low	7.77	-98.02	2	246.354	2.551	1	1	4	C#CC(C)(C)[N@H+](C)Cc1[nH+]cc(C)c(OC)c1C
365634090	ZINC000641601194	ref	4.99	-14.56	0	281.739	1.62	1	3	3	Cc1c(Cl)cccc1OCC(=O)N1C[C@@H]2C[C@]2(O)C1
365634096	ZINC000641601077	ref	3.99	-9.43	0	298.346	1.33	2	5	5	NC(=O)c1cc(NC[C@H]2CC[C@@H](c3ccccc3)O2)ncn1
365634100	ZINC000641601518	ref	5.9	-45.68	1	275.356	1.293	3	4	5	CC(C)[N@@H+](C)C[C@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365634103	ZINC000641601518	mid	5.59	-46.09	1	275.356	1.293	3	4	5	CC(C)[N@H+](C)C[C@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365634108	ZINC000641601513	ref	2.66	-14.83	0	298.408	1.529	1	4	5	C[C@H]1COCC[C@@H]1S(=O)(=O)NC[C@@H](C)c1ccccn1
365634117	ZINC000641601153	ref	5.32	-10.67	0	279.388	1.704	1	4	3	CC(C)NC(=O)N1CCC(n2cc(N(C)C)cn2)CC1
365634121	ZINC000641601904	ref	3.53	-12.5	0	261.387	1.756	0	3	5	CC[C@@H](C)N(CC)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2
365634125	ZINC000641601590	ref	4.87	-7.74	0	268.32	1.763	2	4	5	NC(=O)c1cc(NC2(Cc3ccccc3)CC2)ncn1
365634132	ZINC000641601278	ref	2.44	-10.1	0	270.288	1.548	1	4	2	O=C(c1coc(-c2ccccc2)n1)N1C[C@@H]2C[C@]2(O)C1
365634137	ZINC000641599231	ref	3.36	-32.21	1	269.345	1.192	3	3	4	C[NH+](C)C[C@H](CO)N=c1[nH]c2ccc(F)cc2s1
365634143	ZINC000641599231	mid	0.79	-6.61	0	269.345	1.192	2	4	4	CN(C)C[C@H](CO)N=c1[nH]c2ccc(F)cc2s1
365634150	ZINC000641601600	ref	5.68	-11.92	0	289.364	1.892	1	5	2	O=C(Nc1ccccc1)N1CCN(c2ncns2)CC1
365634158	ZINC000641600759	ref	5.31	-42.07	1	294.424	1.897	3	5	6	CCc1cc2c(N[C@@H](CO)C[NH+](C)C)nc(C)nc2s1
365634162	ZINC000641600759	high	2.77	-7.25	0	294.424	1.897	2	6	6	CCc1cc2c(N[C@@H](CO)CN(C)C)nc(C)nc2s1
365634169	ZINC000641601765	ref	4.33	-42.08	1	265.361	1.108	3	4	8	CCCC[N@H+](C)C[C@H](C)Nc1cc(C(N)=O)ncn1
365634174	ZINC000641601765	mid	4.32	-42.15	1	265.361	1.108	3	4	8	CCCC[N@@H+](C)C[C@H](C)Nc1cc(C(N)=O)ncn1
342595557	ZINC000616963340	ref	3.73	-15.54	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1C1CCCCC1
365634181	ZINC000641601969	ref	4.2	-9.48	0	298.346	1.15	2	5	6	COc1cccc(C2(CNc3cc(C(N)=O)ncn3)CC2)c1
342595558	ZINC000616963036	ref	3.91	-20.49	0	290.363	1.467	2	3	6	Cc1ccc(OCCCC(=O)N[C@@H]2CCNC2=O)c(C)c1
342595559	ZINC000616962899	ref	2.49	-16.41	0	290.216	1.463	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(F)cc(C(F)(F)F)c1
342595560	ZINC000616967502	ref	3.64	-19.27	0	298.346	1.107	2	4	3	Cc1cccc(-n2ncc(C(=O)N[C@@H]3CCNC3=O)c2C)c1
342595561	ZINC000616967350	ref	2.43	-16.6	0	278.274	1.36	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@H]1CCC[C@H](C(F)(F)F)C1
187169617	ZINC000125100365	ref	5.81	-13.42	0	264.248	1.721	0	7	3	N#Cc1cnc(Oc2cccc(-n3cncn3)c2)cn1
365634092	ZINC000172891394	low	6.0	-45.83	1	279.336	1.32	1	4	5	COC[C@H]1C[N@H+](Cc2cccc(C(=O)OC)c2)CCO1
214184890	ZINC000278484804	high	6.43	-8.07	0	319.405	2.419	1	5	6	Cc1c([C@@H](C)NCC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-]
365634097	ZINC000172891394	low	6.51	-45.45	1	279.336	1.32	1	4	5	COC[C@H]1C[N@@H+](Cc2cccc(C(=O)OC)c2)CCO1
342595562	ZINC000616963335	ref	4.25	-19.14	0	278.327	1.399	2	2	5	C[C@@H](CCc1ccccc1F)C(=O)N[C@@H]1CCNC1=O
365634104	ZINC000172892320	ref	5.26	-7.89	0	292.354	1.82	0	3	4	CN(C(=O)[C@@H](c1cccc(F)c1)N1CCOCC1)C1CC1
342595563	ZINC000616962886	ref	3.83	-21.58	0	276.336	1.157	2	3	5	CC[C@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCNC1=O
365634112	ZINC000565361785	ref	5.25	-26.88	0	283.295	1.201	2	6	2	N#Cc1cccc(NC(=O)N[C@H]2CCCn3ncnc32)n1
365634124	ZINC000172889369	ref	-0.02	-13.17	0	286.357	1.046	3	3	5	CCNC(=O)Nc1cccc(NS(=O)(=O)N(C)C)c1
365634131	ZINC000172893414	ref	2.71	-13.26	0	298.77	1.626	1	4	5	COC[C@H]1CN(CC(=O)Nc2cccc(Cl)c2)CCO1
365634140	ZINC000172888939	ref	2.27	-11.01	0	278.352	1.361	1	4	5	COC[C@@H]1CN([C@@H](C)C(=O)Nc2ccccc2)CCO1
398248846	ZINC000650874867	ref	3.07	-9.7	0	269.345	1.71	2	4	6	CC(C)c1cc(CNC(=O)N(C)[C@H](C)CCO)on1
365634149	ZINC000172890566	ref	4.46	-45.18	1	256.371	1.341	0	5	5	COC[C@H]1CN(CCc2scnc2C)CCO1
342595564	ZINC000616963113	ref	1.98	-21.9	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1cccc(F)c1Cl
365634153	ZINC000172890566	mid	4.03	-46.33	1	256.371	1.341	1	4	5	COC[C@H]1C[N@H+](CCc2scnc2C)CCO1
342595565	ZINC000616962938	ref	2.54	-18.39	0	282.39	1.083	2	4	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1SCCc2sccc21
365634159	ZINC000172890566	mid	4.46	-45.18	1	256.371	1.341	1	4	5	COC[C@H]1C[N@@H+](CCc2scnc2C)CCO1
342595566	ZINC000616962939	ref	2.53	-17.28	0	282.39	1.083	2	4	2	O=C1NCC[C@@H]1NC(=O)[C@H]1SCCc2sccc21
214184892	ZINC000278486385	ref	7.81	-44.19	1	302.418	2.437	2	2	4	C[C@@H]1COCC[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1
365634166	ZINC000172888416	ref	3.8	-7.23	0	276.336	1.157	2	3	5	Cc1ccccc1O[C@@H](C)CNC(=O)C(=O)NC1CC1
365634177	ZINC000172888349	ref	4.02	-9.43	0	290.363	1.405	2	3	6	CNC(=O)C1(C(=O)NC[C@H](C)Oc2ccccc2C)CC1
365634185	ZINC000172889058	ref	3.72	-8.14	0	279.336	1.248	0	5	5	COC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2)CCO1
365634093	ZINC000122971732	ref	5.62	-35.93	1	258.163	2.198	1	2	5	C=C[C@@H](C)[NH2+][C@H](C)Cn1cc(Br)cn1
185088568	ZINC000096073424	mid	5.29	-35.38	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)C1
365634102	ZINC000123115138	ref	7.65	-44.89	1	295.427	2.264	3	2	3	C[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C
185088570	ZINC000096073360	ref	6.95	-11.07	0	274.364	2.503	0	3	2	CC[C@H]1CO[C@@]2(CCCN(C(=O)c3ccccn3)C2)C1
185088572	ZINC000096073359	ref	6.8	-10.54	0	274.364	2.503	0	3	2	CC[C@@H]1CO[C@]2(CCCN(C(=O)c3ccccn3)C2)C1
185088574	ZINC000096072760	ref	4.49	-12.23	0	298.35	1.117	1	7	3	c1cc(N2CC[C@]3(C[C@H](Nc4cnccn4)CO3)C2)ncn1
365634109	ZINC000123115138	mid	7.28	-42.99	1	295.427	2.264	3	2	3	C[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C
185088578	ZINC000096074618	high	0.82	-8.49	0	294.399	0.723	1	5	5	COCCN1CCOCC12CCN(Cc1c[nH]cn1)CC2
365634113	ZINC000123115138	high	5.44	-15.45	0	295.427	2.264	2	3	3	C[C@H]1CC[C@@H](C)N1CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C
342595567	ZINC000616967349	ref	2.42	-17.3	0	278.274	1.36	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1
185088580	ZINC000096074618	high	1.12	-7.71	0	294.399	0.723	1	5	5	COCCN1CCOCC12CCN(Cc1cnc[nH]1)CC2
342595568	ZINC000616963045	ref	3.09	-18.62	0	276.336	1.482	2	3	5	CC[C@@H](C)Oc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
197592748	ZINC000290091704	ref	2.81	-13.63	0	281.345	0.273	0	9	5	Cn1ncc(CSc2nnnn2C[C@H]2CCCO2)n1
185088583	ZINC000096073080	ref	9.03	-33.03	1	279.424	2.837	1	2	5	C1CC(C[NH+]2CCC3(CC2)C[C@H](OCC2CC2)CO3)C1
365634118	ZINC000123048823	ref	5.91	-8.5	0	287.367	2.302	0	6	4	CC(C)Oc1cncc(N2CCC(n3ccnc3)CC2)n1
398248847	ZINC000367282783	ref	2.95	-4.95	0	239.702	2.152	1	3	2	Clc1cccc2c1[C@@H](N[C@@H]1CCOC1)CO2
282122422	ZINC000263105078	ref	8.77	-34.62	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@H]1CC(C)(C)C[C@@H]1C)C(=O)[O-]
282122425	ZINC000263022399	ref	7.88	-38.9	0	283.412	2.816	1	3	6	CCC(CC)(C[NH2+][C@H]1CCCC12CCOCC2)C(=O)[O-]
342595569	ZINC000616963318	ref	1.97	-18.77	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(F)c(Cl)c1
282122429	ZINC000263113478	ref	7.56	-42.54	0	271.401	2.671	1	3	7	CCC(CC)(C[NH2+][C@H]1CCO[C@H](C(C)C)C1)C(=O)[O-]
342595570	ZINC000616962943	ref	4.98	-16.83	0	284.359	1.285	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@]12CCCc1ccccc12
342595571	ZINC000616963339	ref	3.75	-16.4	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCCCC1
398248850	ZINC000650875235	ref	2.29	-13.23	0	281.4	1.766	3	2	5	C[C@H]1CCCC[C@H]1CCNC(=O)N[C@@H]1C[C@H](C(N)=O)C1
398248855	ZINC000650873706	ref	5.09	-13.91	0	281.4	1.733	2	2	5	CCN1C[C@H](CNC(=O)N[C@@H](C)C2CCCC2)CC1=O
398248859	ZINC000650870880	ref	2.67	-12.53	0	267.373	1.374	3	2	3	C[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)[C@H](C)C1
178301577	ZINC000237185522	mid	9.22	-39.85	1	355.486	1.354	2	4	6	C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1
398248862	ZINC000650870860	ref	4.87	-11.45	0	274.311	1.854	1	2	2	C[C@@]1(CNC(=O)N2CC[C@]3(C2)CC3(F)F)CCOC1
398248868	ZINC000650875327	ref	4.81	-13.32	0	298.427	1.994	2	3	5	COC[C@@H]1C[C@@H](O)CN1C(=O)NCC[C@H]1CCCC[C@@H]1C
398248872	ZINC000650874370	ref	1.66	-13.17	0	253.346	1.128	3	2	4	C[C@@H](NC(=O)N[C@@H]1C[C@H](C(N)=O)C1)C1CCCC1
398248878	ZINC000650874492	ref	7.44	-15.06	0	296.342	1.12	0	3	2	C[C@@H](C(=O)N1CC[C@H](F)C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O
365634107	ZINC000274355038	ref	2.82	-33.9	1	267.348	1.108	2	3	4	C[C@@H](O)C[N@@H+]1CCN(Cc2cncc(F)c2)C[C@H]1C
178301580	ZINC000237185522	low	10.03	-175.6	3	355.486	1.354	2	2	6	C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1
398248882	ZINC000650874485	ref	3.67	-17.6	0	279.315	1.356	2	2	4	NC(=O)N[C@H](CC(=O)N1CC[C@H](F)C1)c1ccccc1
178301582	ZINC000237198234	ref	1.64	-15.89	0	373.482	1.171	2	6	5	CN1CCN(C(=O)Cc2cccc(NC(=O)c3csc(CN)n3)c2)CC1
365634114	ZINC000274355038	mid	2.61	-32.99	1	267.348	1.108	2	3	4	C[C@@H](O)C[N@H+]1CCN(Cc2cncc(F)c2)C[C@H]1C
365634120	ZINC000274355038	mid	0.48	-4.88	0	267.348	1.108	1	4	4	C[C@@H](O)CN1CCN(Cc2cncc(F)c2)C[C@H]1C
398248885	ZINC000650875110	ref	2.27	-14.81	0	295.408	1.589	3	3	5	CC(C)(CNC(=O)N[C@@H]1C[C@H](C(N)=O)C1)c1cccs1
178301586	ZINC000237198234	mid	2.04	-62.6	1	373.482	1.171	2	5	5	CN1CCN(C(=O)Cc2cccc(NC(=O)c3csc(C[NH3+])n3)c2)CC1
398248888	ZINC000650873482	ref	3.42	-21.8	0	298.355	1.25	1	3	4	CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCCC(F)(F)C1
398248892	ZINC000650873594	ref	4.61	-11.37	0	261.094	1.961	1	1	1	O=C(c1cc(Br)c[nH]1)N1CC[C@H](F)C1
398248897	ZINC000650870866	ref	2.39	-16.55	0	293.367	1.188	3	3	5	C[C@H](CCO)N(C)C(=O)NCc1cc2c([nH]c1=O)CCC2
398248903	ZINC000650870820	ref	4.96	-12.88	0	284.4	1.602	2	3	3	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C
365639431	ZINC000336555889	low	8.28	-99.1	2	265.426	2.369	2	2	2	Cc1ncc(C[N@@H+]2CC[C@@]3(CCC[NH+](C)C3)C2)s1
398248909	ZINC000650874308	ref	1.0	-11.06	0	270.373	1.406	3	3	5	C[C@@H](NC(=O)NCC[C@@]1(O)CCOC1)C1CCCC1
190493611	ZINC000269425224	ref	6.83	-17.67	0	288.391	3.05	2	2	9	C=CC(=O)NCCC(=O)Nc1ccc(CCCCC)cc1
214184893	ZINC000337622633	ref	8.41	-16.74	0	297.354	3.281	1	3	6	CCO[C@@H](C)C(=O)Nc1cccc(C(=O)c2ccccc2)c1
349534713	ZINC000093261045	ref	5.27	-11.58	0	275.308	0.992	1	4	5	CCOCCN(C)C(=O)C(=O)Nc1cccc(C#N)c1
214184896	ZINC000337624109	ref	2.65	-10.44	0	274.361	0.102	1	4	10	CCN(CC)C(=O)CCC(=O)N(C)CCOCCO
214184899	ZINC000337621800	ref	5.88	-15.32	0	293.33	2.405	1	5	4	C[C@@H](C(=O)Nc1cnccc1-n1cccn1)c1cccnc1
187169618	ZINC000125093067	ref	5.01	-12.74	0	274.324	2.351	2	4	3	C[C@@H](c1cccc(O)c1)N(C)C(=O)Nc1ccnn1C
282122426	ZINC000237741869	ref	3.38	-52.23	1	265.361	0.391	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC2
214184901	ZINC000337621800	mid	6.33	-39.46	1	293.33	2.405	1	4	4	C[C@@H](C(=O)Nc1c[nH+]ccc1-n1cccn1)c1cccnc1
282122430	ZINC000237741869	high	3.08	-13.22	0	265.361	0.391	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](N)C(C)(C)C)CC2
349534719	ZINC000093288747	ref	4.01	-13.7	0	289.339	0.961	2	5	6	COCc1ccc(CNC(=O)NCc2ncn(C)n2)cc1
349534724	ZINC000093285582	ref	3.11	-42.8	1	284.404	0.683	4	2	4	C[NH+](C)[C@H]1CC[C@H](NC(=O)NCC(=O)NC(C)(C)C)C1
214184904	ZINC000337623061	ref	7.52	-15.47	0	286.326	2.102	1	3	5	O=C(NCCCn1ccnc1)N1CCCC[C@@H]1C(F)F
214184908	ZINC000337623061	low	8.03	-41.54	1	286.326	2.102	1	2	5	O=C(NCCCn1cc[nH+]c1)N1CCCC[C@@H]1C(F)F
214184910	ZINC000337620488	ref	3.15	-9.05	0	261.362	0.905	1	4	10	CCO[C@@H](CC(=O)N(C)CCOCCO)C(C)C
214184913	ZINC000337624174	ref	10.46	-10.44	0	298.39	2.418	1	4	6	CC[C@H]1C[C@]1(NC(=O)CCn1cncn1)c1cccc(C)c1
214184917	ZINC000337621990	ref	10.44	-7.71	0	296.414	3.435	0	3	7	CCc1ccc(CN(CC(=O)c2cccn2C)C2CC2)cc1
214184919	ZINC000337621990	mid	12.33	-35.28	1	296.414	3.435	1	2	7	CCc1ccc(C[N@H+](CC(=O)c2cccn2C)C2CC2)cc1
190493615	ZINC000269425660	ref	7.86	-13.92	0	299.37	3.299	1	3	5	Cc1ccccc1[C@@H](C)N(C)C(=O)COc1ccccc1O
342078821	ZINC000046502170	ref	4.2	-13.48	0	280.324	1.039	0	5	3	COC(=O)c1oc(CN2CCN(C(C)=O)CC2)cc1C
187169619	ZINC000125100707	ref	4.49	-11.47	0	258.724	2.045	1	2	4	C[C@H](NCc1cccc(Cl)c1F)C(=O)N(C)C
342078822	ZINC000625297086	ref	2.44	-14.72	0	271.367	1.567	2	4	4	Cc1cc(S(=O)(=O)NCc2c[nH]cn2)sc1C
187169620	ZINC000125100707	mid	5.72	-44.03	1	258.724	2.045	1	1	4	C[C@H]([NH2+]Cc1cccc(Cl)c1F)C(=O)N(C)C
342078823	ZINC000625297086	mid	2.4	-13.03	0	271.367	1.567	2	4	4	Cc1cc(S(=O)(=O)NCc2cnc[nH]2)sc1C
185088594	ZINC000096073443	ref	4.87	-12.03	0	293.363	2.327	0	4	4	COCC[C@@H]1CO[C@]2(CCCN(C(=O)c3ccoc3)C2)C1
398248853	ZINC000367282783	mid	3.95	-36.52	1	239.702	2.152	1	2	2	Clc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC1)CO2
185088596	ZINC000096073329	ref	6.47	-10.64	0	262.353	2.056	0	3	1	C[C@@H]1CO[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
185088598	ZINC000096072255	ref	7.72	-33.2	1	251.37	2.056	1	2	5	C1CC1CO[C@@H]1CO[C@]2(CC[N@H+](CC3CC3)C2)C1
185088600	ZINC000096072255	mid	7.72	-33.86	1	251.37	2.056	1	2	5	C1CC1CO[C@@H]1CO[C@]2(CC[N@@H+](CC3CC3)C2)C1
398248856	ZINC000366677742	ref	6.79	-45.76	1	240.376	1.764	1	4	5	CCSCC[NH2+][C@H]1CCCn2nc(C)nc21
398248864	ZINC000366677742	mid	5.31	-10.43	0	240.376	1.764	1	5	5	CCSCCN[C@H]1CCCn2nc(C)nc21
178301591	ZINC000062533300	ref	0.3	-6.03	0	241.088	2.357	1	3	1	Cc1cc2nc(CN)oc2cc1Br
178301595	ZINC000062533300	mid	0.71	-48.85	1	241.088	2.357	1	2	1	Cc1cc2nc(C[NH3+])oc2cc1Br
342078824	ZINC000625297086	low	2.92	-42.92	1	271.367	1.567	2	3	4	Cc1cc(S(=O)(=O)NCc2c[nH+]c[nH]2)sc1C
178301607	ZINC000075415136	ref	9.95	-85.8	2	246.358	2.187	2	2	4	Cc1cc2[nH+]c(N)n(CCC[NH+](C)C)c2cc1C
178301612	ZINC000075415136	high	9.48	-46.64	1	246.358	2.187	2	3	4	Cc1cc2nc(N)n(CCC[NH+](C)C)c2cc1C
178301615	ZINC000000911955	ref	4.24	-7.3	0	209.23	2.095	1	5	1	Cc1cc2nc(N)sc2cc1[N+](=O)[O-]
185088601	ZINC000096074592	ref	7.48	-40.19	1	288.435	2.416	1	2	4	CCN1CCOCC12CC[NH+](CCc1ccccc1)CC2
178301623	ZINC000008653637	ref	5.21	-52.7	-1	246.266	1.557	1	4	3	Cc1cc2nc(CCC(=O)[O-])c(=O)[nH]c2cc1C
398248867	ZINC000367279417	ref	3.69	-36.14	1	242.319	0.442	2	3	3	COC(=O)C(C)(C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C
185088603	ZINC000096074592	low	9.58	-103.75	2	288.435	2.416	2	1	4	CC[N@@H+]1CCOCC12CC[NH+](CCc1ccccc1)CC2
185088606	ZINC000096074592	low	9.58	-104.07	2	288.435	2.416	2	1	4	CC[N@H+]1CCOCC12CC[NH+](CCc1ccccc1)CC2
185088607	ZINC000096073308	ref	9.79	-37.73	1	259.393	3.12	1	1	3	C[C@H]1CO[C@@]2(CCC[N@H+](CCc3ccccc3)C2)C1
185088609	ZINC000096073308	mid	9.97	-34.09	1	259.393	3.12	1	1	3	C[C@H]1CO[C@@]2(CCC[N@@H+](CCc3ccccc3)C2)C1
398248874	ZINC000367282782	ref	2.86	-4.8	0	239.702	2.152	1	3	2	Clc1cccc2c1[C@H](N[C@@H]1CCOC1)CO2
185088611	ZINC000096073098	ref	7.01	-8.92	0	281.396	2.363	0	3	5	CCCC(=O)N1CCC2(CC1)C[C@H](OCC1CC1)CO2
398248877	ZINC000367282782	mid	4.0	-36.79	1	239.702	2.152	1	2	2	Clc1cccc2c1[C@H]([NH2+][C@@H]1CCOC1)CO2
342595572	ZINC000616963033	ref	4.26	-17.5	0	282.384	1.365	2	3	5	CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@@H]1CCNC1=O
187169621	ZINC000125097323	ref	8.24	-34.93	1	282.79	3.053	2	1	5	Fc1c(Cl)cccc1CNC[C@@H]1CC[N@@H+](C2CC2)C1
365634123	ZINC000623066102	ref	3.79	-51.84	1	301.35	1.951	2	4	2	C[C@H]1CN(C(=O)Nc2ccc(-c3ncon3)cc2)C[C@@H](C)[NH2+]1
365634127	ZINC000623066102	mid	2.61	-14.11	0	301.35	1.951	2	5	2	C[C@H]1CN(C(=O)Nc2ccc(-c3ncon3)cc2)C[C@@H](C)N1
187169622	ZINC000125097323	mid	8.17	-34.18	1	282.79	3.053	2	1	5	Fc1c(Cl)cccc1CNC[C@@H]1CC[N@H+](C2CC2)C1
187169623	ZINC000125097323	low	9.62	-105.95	2	282.79	3.053	2	0	5	Fc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1
187169624	ZINC000125097323	low	9.56	-103.74	2	282.79	3.053	2	0	5	Fc1c(Cl)cccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1
187169625	ZINC000125096443	ref	7.92	-7.48	0	277.27	2.416	0	2	2	O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(F)cc1F
342595573	ZINC000616963112	ref	1.98	-21.87	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cccc(F)c1Cl
187169626	ZINC000125099096	ref	5.21	-62.03	1	289.379	1.015	2	2	4	C[C@@H](CC(=O)N1CC[NH2+]C[C@H]1C)NC(=O)c1ccccc1
342595574	ZINC000616963104	ref	3.71	-23.69	0	296.754	1.502	2	3	5	CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
187169627	ZINC000125099096	mid	3.88	-15.92	0	289.379	1.015	2	3	4	C[C@@H](CC(=O)N1CCNC[C@H]1C)NC(=O)c1ccccc1
187169628	ZINC000125095231	ref	7.72	-34.87	1	267.735	2.854	1	2	5	C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(Cl)c1F
187169629	ZINC000125095231	mid	6.53	-7.63	0	267.735	2.854	1	3	5	C[C@@H](Cn1cccn1)NCc1cccc(Cl)c1F
342595575	ZINC000616963037	ref	3.91	-20.46	0	290.363	1.467	2	3	6	Cc1ccc(OCCCC(=O)N[C@H]2CCNC2=O)c(C)c1
342595576	ZINC000616963181	ref	3.03	-16.61	0	272.304	1.668	2	3	2	Cc1cc2cc(C(=O)N[C@@H]3CCNC3=O)oc2cc1C
349534715	ZINC000594969275	ref	6.0	-49.4	1	297.468	2.552	1	3	5	Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1
365634133	ZINC000623065552	ref	5.23	-48.8	1	304.394	1.078	1	4	3	CCn1cc(C(=O)C(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1
365634138	ZINC000623065305	ref	4.95	-55.28	1	300.362	1.137	2	3	3	CCC[C@H]1C[NH2+]CCN1C(=O)c1nc2ccccc2c(=O)[nH]1
365634144	ZINC000623065305	mid	3.86	-74.02	0	300.362	1.137	1	3	3	CCC[C@H]1C[NH2+]CCN1C(=O)c1nc2ccccc2c(=O)[n-]1
365639434	ZINC000354713245	ref	2.28	-8.12	0	274.43	1.484	1	4	6	CC(C)(C)OCCCCN1CCSC[C@@H]1C(N)=O
342595577	ZINC000616963042	ref	3.09	-17.91	0	276.336	1.482	2	3	5	CC[C@H](C)Oc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
398248875	ZINC000286174801	ref	2.78	-8.1	0	238.287	0.908	1	3	3	C=C(C)[C@H]1OCC[C@H]1CN1C(=O)N[C@@H](C)C1=O
178301579	ZINC000082797130	low	4.32	-51.28	1	256.4	2.301	1	5	6	CC[NH2+][C@](C)(C#N)C[C@@H](C)Sc1nncs1
342078825	ZINC000625297086	low	2.9	-42.88	1	271.367	1.567	2	3	4	Cc1cc(S(=O)(=O)NCc2c[nH]c[nH+]2)sc1C
398248880	ZINC000399007954	ref	9.76	-41.02	1	242.366	3.277	1	1	5	C[C@H]([NH2+]Cc1ccc(CC#N)cc1)[C@@H]1CC1(C)C
398248884	ZINC000286150885	ref	7.57	-10.66	0	242.322	2.664	0	2	4	C=CCCC(=O)N1CCC=C(c2ccncc2)C1
349534718	ZINC000594969275	high	5.18	-15.55	0	297.468	2.552	1	4	5	Cc1nn(C(C)C)cc1CN[C@@H]1CCC[C@@H]([S@](C)=O)C1
398248889	ZINC000062283335	ref	3.97	-48.27	1	216.288	1.347	1	3	4	CCc1c(C[NH3+])nnn1Cc1ccccc1
342078826	ZINC000625297217	ref	6.57	-45.12	1	290.363	1.427	2	3	2	C[N@@H+]1CCC[C@@H](NC(=O)[C@@]2(C)COc3ccccc3O2)C1
398248891	ZINC000062283335	high	3.56	-8.77	0	216.288	1.347	1	4	4	CCc1c(CN)nnn1Cc1ccccc1
178301588	ZINC000082796577	ref	7.27	-48.79	1	266.344	2.821	2	1	2	Cc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1
178301592	ZINC000082796577	high	5.7	-9.43	0	266.344	2.821	2	2	2	Cc1cccc(NC(=O)[C@@H]2CNCc3ccccc32)c1
342078827	ZINC000625297217	mid	6.03	-43.37	1	290.363	1.427	2	3	2	C[N@H+]1CCC[C@@H](NC(=O)[C@@]2(C)COc3ccccc3O2)C1
342078828	ZINC000625297217	mid	3.68	-9.88	0	290.363	1.427	1	4	2	CN1CCC[C@@H](NC(=O)[C@@]2(C)COc3ccccc3O2)C1
178301600	ZINC000082797172	ref	2.89	-9.16	0	256.4	2.219	1	6	5	CN[C@@](C)(C#N)C[C@H](C)Sc1nnc(C)s1
398248896	ZINC000286144363	ref	3.15	-8.97	0	227.304	0.949	1	3	5	C=C[C@@](C)(O)CC(=O)N(C)[C@H]1C[C@@H](OC)C1
178301601	ZINC000082797172	low	4.19	-53.62	1	256.4	2.219	1	5	5	C[NH2+][C@@](C)(C#N)C[C@H](C)Sc1nnc(C)s1
214184897	ZINC000278484925	ref	5.36	-11.19	0	306.322	1.449	2	6	4	CN(CC1(O)CCOCC1)c1nc2cc([N+](=O)[O-])ccc2[nH]1
342078829	ZINC000046503288	ref	4.3	-7.32	0	285.34	1.469	0	6	9	COCCN(CCOC)Cc1cc(C)c(C(=O)OC)o1
342078830	ZINC000046503288	mid	5.74	-41.31	1	285.34	1.469	1	5	9	COCC[NH+](CCOC)Cc1cc(C)c(C(=O)OC)o1
190493617	ZINC000269427987	ref	2.51	-22.07	0	274.342	-0.241	1	5	6	COC(=O)C[C@@H]1CCCN1C(=O)CSCC(N)=O
178305852	ZINC000036986871	ref	6.46	-54.95	1	217.316	2.248	1	2	3	Cc1cc2ncn(C[C@@H](C)C[NH3+])c2cc1C
349534722	ZINC000594969944	ref	9.21	-12.0	0	286.335	2.749	1	5	6	CCn1ccc(NCC(C)=Cc2cccc([N+](=O)[O-])c2)n1
398248905	ZINC000286148754	ref	5.98	-7.37	0	220.32	1.532	0	4	5	C#CC(C)(C)N(C)Cc1ncnn1CCC
185088612	ZINC000096072912	ref	2.34	-37.16	1	264.325	0.686	2	4	4	OCC[N@@H+]1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1
214184902	ZINC000278486382	ref	5.31	-12.44	0	305.407	1.584	1	6	3	Cc1nscc1C(=O)N[C@H]1CCCN(c2ccnn2C)C1
185088614	ZINC000096072912	mid	2.1	-37.51	1	264.325	0.686	2	4	4	OCC[N@H+]1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1
343993870	ZINC000079916470	ref	5.3	-14.63	0	283.287	2.087	1	5	2	Cc1cncc(C(=O)Nc2ccc3oc(=O)n(C)c3c2)c1
185088616	ZINC000096072912	high	0.0	-7.61	0	264.325	0.686	1	5	4	OCCN1CC[C@@]2(C[C@@H](Oc3cccnc3)CO2)C1
178301589	ZINC000237198234	low	4.38	-108.59	2	373.482	1.171	3	4	5	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3csc(C[NH3+])n3)c2)CC1
185088618	ZINC000096074119	ref	5.45	-43.92	1	279.34	1.0	1	4	2	C[NH+](C)[C@@H]1COC2(CCN(C(=O)c3ccno3)CC2)C1
178301590	ZINC000237194556	ref	4.43	-53.51	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1
178301594	ZINC000237194556	mid	6.78	-97.17	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1
398248881	ZINC000366683174	ref	5.58	-33.46	1	227.348	2.101	1	2	5	CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC)[C@@]12CCCO2
185088620	ZINC000096074119	high	2.91	-6.27	0	279.34	1.0	0	5	2	CN(C)[C@@H]1COC2(CCN(C(=O)c3ccno3)CC2)C1
185088623	ZINC000096072254	ref	7.72	-32.37	1	251.37	2.056	1	2	5	C1CC1CO[C@@H]1CO[C@@]2(CC[N@H+](CC3CC3)C2)C1
185088626	ZINC000096072254	mid	7.7	-31.59	1	251.37	2.056	1	2	5	C1CC1CO[C@@H]1CO[C@@]2(CC[N@@H+](CC3CC3)C2)C1
185088628	ZINC000096073848	ref	4.13	-17.64	0	286.357	0.034	0	6	2	CS(=O)(=O)N1CCC[C@]2(C[C@H](n3cnnc3)CO2)C1
178301599	ZINC000237186227	ref	7.11	-54.59	1	373.457	1.052	2	5	4	CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC([NH2+]C)CC3)cc(C(C)C)nc21
185088630	ZINC000096072533	ref	6.1	-9.96	0	298.346	1.688	0	6	3	c1cncc(O[C@@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)c1
185088632	ZINC000096072227	ref	1.68	-13.77	0	277.32	1.412	1	4	2	CO[C@@H]1CO[C@]2(CCN(C(=O)c3cccc(O)c3)C2)C1
178305854	ZINC000036986871	low	6.94	-96.03	2	217.316	2.248	1	1	3	Cc1cc2[nH+]cn(C[C@@H](C)C[NH3+])c2cc1C
185088634	ZINC000096072227	high	2.43	-57.37	-1	277.32	1.412	0	4	2	CO[C@@H]1CO[C@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1
185088635	ZINC000096074018	ref	8.51	-37.15	1	287.407	2.304	1	2	3	CC(C)[N@@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1
185088636	ZINC000096074018	mid	8.43	-42.86	1	287.407	2.304	1	2	3	CC(C)[N@H+]1CCC[C@]2(CCN(Cc3ccncc3)C2=O)C1
342595578	ZINC000616962902	ref	3.48	-16.62	0	252.358	1.598	2	2	4	CC(C)CC1(C(=O)N[C@H]2CCNC2=O)CCCC1
197592756	ZINC000162799724	ref	8.84	-52.11	-1	305.359	2.296	0	7	5	O=C([O-])CSc1nnc([C@H]2CCCO2)n1-c1ccccc1
365634126	ZINC000274353852	ref	3.95	-42.49	1	297.424	1.372	2	3	3	C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@@H+]1C
365634130	ZINC000274353852	mid	3.56	-43.17	1	297.424	1.372	2	3	3	C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@H+]1C
342595579	ZINC000616966845	ref	3.48	-18.34	0	298.795	1.825	2	3	4	C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
342595580	ZINC000616966817	ref	3.36	-23.09	0	297.358	1.399	2	3	3	Cc1nc2ccccc2c(C)c1CC(=O)N[C@@H]1CCNC1=O
342595581	ZINC000616963295	ref	2.57	-17.86	0	276.336	1.482	2	3	3	CC(C)(C)Oc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
187169630	ZINC000125094060	ref	6.01	-18.62	0	290.407	2.459	2	2	7	CNC(=O)C(C)(C)CNC(=O)CC[C@@H](C)c1ccccc1
365634135	ZINC000274353852	mid	1.66	-8.68	0	297.424	1.372	1	4	3	C[C@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(N)c2)CCN1C
365634142	ZINC000274356930	ref	3.82	-46.24	1	277.372	1.168	4	2	4	Cc1n[nH]cc1CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1
365634146	ZINC000274356930	mid	3.89	-46.08	1	277.372	1.168	4	2	4	Cc1n[nH]cc1CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1
365634151	ZINC000274356930	high	1.38	-10.2	0	277.372	1.168	3	3	4	Cc1n[nH]cc1CNC(=O)N[C@H](C)C1=CCN(C)CC1
197592778	ZINC000162807254	ref	4.83	-14.27	0	307.39	2.002	1	4	5	COc1cccc([C@@H]2CN(C(=O)C[C@@H](O)C(C)C)CCO2)c1
197592781	ZINC000162809383	ref	1.75	-16.78	0	322.386	2.117	2	4	5	CC[C@H](NC(=O)c1coc(S(N)(=O)=O)c1)c1ccc(C)cc1
187169631	ZINC000125092422	ref	3.69	-10.51	0	253.367	2.299	2	3	6	CC[C@@H](O)CCNC(=O)c1ccc(SC)cc1
365634157	ZINC000274356471	ref	0.96	-9.42	0	284.381	1.505	2	4	4	CO[C@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(N)c1
365634165	ZINC000274354185	ref	2.0	-14.44	0	297.355	1.157	3	3	4	NC(=O)[C@@H](NC(=O)N[C@H]1CCSC1)c1ccc(F)cc1
187169632	ZINC000125092029	ref	7.69	-9.51	0	295.423	2.467	0	3	8	COCCCOC1CCN(C(=O)C(C2CC2)C2CC2)CC1
365634170	ZINC000274353639	ref	2.45	-11.13	0	264.329	1.683	3	4	3	O=C(NCC1(O)CCCCCC1)Nc1cncnc1
136229418	ZINC000293352883	mid	8.02	-42.39	1	208.305	2.635	1	2	7	C=CCCC[N@H+](C)Cc1conc1CC
342595582	ZINC000616966847	ref	3.47	-20.64	0	298.795	1.825	2	3	4	C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
342595583	ZINC000616966806	ref	2.31	-19.17	0	294.376	1.18	2	4	5	COc1ccc(S[C@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
178301602	ZINC000237186227	high	5.3	-82.47	0	373.457	1.052	1	5	4	CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC([NH2+]C)CC3)cc(C(C)C)nc21
214184903	ZINC000293582890	high	4.06	-19.29	0	358.446	0.815	1	7	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@@H](C)n1nnc(-c2ccccc2)n1
214184907	ZINC000293581507	ref	4.27	-14.56	0	350.444	0.73	0	5	3	C[C@H]1CN(C(=O)c2cc(C#N)cc(N(C)C)c2)CCN1S(C)(=O)=O
178301604	ZINC000237184826	ref	3.59	-69.79	1	361.467	1.255	3	3	9	CNC(=O)c1ccc(C[NH2+]CCS(=O)(=O)NCc2ccccc2)cc1
214184912	ZINC000293584890	ref	-0.5	-18.25	0	358.416	0.138	2	6	7	CON(C)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CC[C@@H](CO)O2)c1
178301608	ZINC000237184826	mid	2.25	-18.79	0	361.467	1.255	3	4	9	CNC(=O)c1ccc(CNCCS(=O)(=O)NCc2ccccc2)cc1
214184922	ZINC000293584184	ref	2.95	-55.9	1	355.435	0.703	2	3	4	C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1
214184927	ZINC000293584184	high	2.76	-76.84	0	355.435	0.703	1	3	4	C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1
178301610	ZINC000237198472	ref	4.26	-57.26	-1	351.356	1.859	0	7	6	CN(Cc1nccn1C(F)F)S(=O)(=O)c1cc(C(=O)[O-])cs1
214184931	ZINC000293582134	ref	1.39	-20.13	0	357.432	0.639	3	5	6	COC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@H]2NS(C)(=O)=O)[nH]1
214184935	ZINC000293579430	ref	0.71	-62.38	1	352.46	0.747	3	4	6	C[C@@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC(C)(C)CCC[NH3+]
178301616	ZINC000237190106	ref	5.28	-8.26	0	353.26	1.927	1	3	4	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1COCCN1
365634129	ZINC000123048823	low	6.62	-37.08	1	287.367	2.302	0	5	4	CC(C)Oc1cncc(N2CCC(n3cc[nH+]c3)CC2)n1
178301617	ZINC000237190106	mid	6.51	-38.03	1	353.26	1.927	1	2	4	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]1COCC[NH2+]1
398248886	ZINC000367094112	ref	3.32	-38.79	1	227.348	1.696	2	2	5	C[C@@H](O)CCC[NH2+][C@@H]1CCC12CCOCC2
398248893	ZINC000367081881	ref	4.84	-40.26	1	227.348	1.818	1	2	5	COC[C@H](C)C[NH2+][C@@H]1CCC12CCOCC2
214184940	ZINC000293585286	ref	2.55	-15.22	0	359.382	0.078	2	5	5	CCOC1CN(C(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)C1
398248900	ZINC000366683176	ref	5.16	-34.25	1	227.348	2.101	1	2	5	CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC)[C@]12CCCO2
349534720	ZINC000621493473	ref	7.26	-9.34	0	286.366	3.3	2	1	5	O=C(NCC[C@@H]1CC1(F)F)N[C@@H]1CCC[C@H](C2CC2)C1
398248904	ZINC000367095007	ref	6.46	-40.3	1	215.312	2.283	1	1	5	CCO[C@H]1C[C@H]([NH2+]CCF)C12CCCC2
136229199	ZINC000184916763	ref	8.65	-12.42	0	243.35	2.847	1	1	6	CC#CCCCC(=O)NCCc1ccccc1C
365634139	ZINC000122955444	ref	7.32	-9.05	0	257.341	2.131	0	5	2	Cc1cnn([C@H]2CCCN(c3nccc(C)n3)C2)c1
136229200	ZINC000184906868	ref	5.87	-6.91	0	230.311	2.308	1	2	4	C#CCC(C)(C)C(=O)N[C@@H](C)c1ccccn1
365634148	ZINC000123085278	ref	4.44	-11.01	0	292.404	2.205	0	4	4	C[C@@H]1CC[C@@H](C)N1CCS(=O)(=O)c1ccc(C#N)cc1
342078831	ZINC000625297765	ref	2.7	-15.48	0	293.348	1.213	2	4	4	O=S(=O)(NCc1c[nH]cn1)c1ccc2c(c1)CCCO2
365634155	ZINC000123085278	mid	6.52	-48.22	1	292.404	2.205	1	3	4	C[C@@H]1CC[C@@H](C)[NH+]1CCS(=O)(=O)c1ccc(C#N)cc1
365634161	ZINC000123014797	ref	4.42	-4.89	0	292.423	2.368	2	3	6	CCOc1ccccc1N1CC[NH+](C[C@@](C)(O)CC)CC1
342078832	ZINC000625297765	mid	2.66	-14.33	0	293.348	1.213	2	4	4	O=S(=O)(NCc1cnc[nH]1)c1ccc2c(c1)CCCO2
365634171	ZINC000123014797	high	4.42	-4.89	0	292.423	2.368	1	4	6	CCOc1ccccc1N1CCN(C[C@@](C)(O)CC)CC1
342078833	ZINC000625297765	low	3.18	-44.9	1	293.348	1.213	2	3	4	O=S(=O)(NCc1c[nH+]c[nH]1)c1ccc2c(c1)CCCO2
365634175	ZINC000122971480	ref	5.89	-32.56	1	258.163	2.198	1	2	5	C=C[C@@H](C)[NH2+][C@@H](C)Cn1cc(Br)cn1
365634183	ZINC000123048329	ref	8.69	-39.59	1	252.402	2.367	1	1	3	C[C@H]1CC[N@H+](CCC(=O)N2CCCCC2)C[C@@H]1C
342078834	ZINC000625297765	low	3.16	-44.92	1	293.348	1.213	2	3	4	O=S(=O)(NCc1c[nH]c[nH+]1)c1ccc2c(c1)CCCO2
342078835	ZINC000625297120	ref	7.56	-39.54	1	268.401	1.744	1	2	5	CCO[C@H](C[N@@H+]1CCN(C(C)=O)CC1(C)C)C1CC1
365634188	ZINC000123048329	mid	8.58	-38.34	1	252.402	2.367	1	1	3	C[C@H]1CC[N@@H+](CCC(=O)N2CCCCC2)C[C@@H]1C
365634192	ZINC000122972038	ref	5.65	-6.68	0	269.41	2.203	1	3	4	CSCCC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2
365634203	ZINC000123001968	ref	6.1	-8.68	0	297.196	2.29	0	2	2	CN(C)C(=O)CN1CCCc2cc(Br)ccc21
365634212	ZINC000123047288	ref	4.82	-41.06	1	298.427	2.303	3	3	6	C=CCC[C@@H](O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1
342078836	ZINC000625297120	mid	7.42	-38.66	1	268.401	1.744	1	2	5	CCO[C@H](C[N@H+]1CCN(C(C)=O)CC1(C)C)C1CC1
365634219	ZINC000123047288	high	2.46	-5.9	0	298.427	2.303	2	4	6	C=CCC[C@@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1
343993871	ZINC000625558689	ref	1.74	-14.31	0	230.289	0.979	1	4	5	C/C=C/CNS(=O)(=O)Cc1cc(C)on1
178301621	ZINC000082798422	ref	4.04	-42.42	1	261.412	2.298	1	3	6	CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)c1cccs1
259308266	ZINC000356852616	ref	3.51	-10.35	0	249.335	1.366	2	3	4	C=C[C@H](CO)NC(=O)[C@H]1Cc2ccccc2S1
365634228	ZINC000122963724	ref	5.63	-11.04	0	290.367	2.022	1	5	5	COCCc1cc(NC(=O)C2(C#N)CCCCC2)n(C)n1
398248894	ZINC000649443247	ref	9.77	-40.74	1	240.35	3.161	1	1	4	Cc1ccc(-c2ccc(CC[NH+](C)C)cc2)nc1
398248899	ZINC000649443168	ref	3.29	-49.74	1	200.241	2.205	1	2	1	C1=C(c2cnc3occc3c2)CC[NH2+]C1
398248901	ZINC000649443108	ref	6.78	-46.68	1	237.73	3.115	1	1	3	CCOc1cc(C2=CC[NH2+]CC2)ccc1Cl
398248907	ZINC000649443261	ref	8.03	-48.31	1	243.35	3.292	1	1	2	CC(C)(C)C(=O)c1ccc(C2=CC[NH2+]CC2)cc1
398248910	ZINC000649443242	ref	4.23	-45.9	1	246.31	2.03	2	2	3	COc1cc(NC(C)=O)ccc1C1=CC[NH2+]CC1
365634141	ZINC000354704323	high	1.7	-9.69	0	291.395	1.148	2	4	5	C[C@@H](CC(=O)NCC1(O)CCN(C)CC1)c1cccnc1
187169633	ZINC000125095650	ref	2.61	-14.63	0	297.771	1.391	1	4	3	Cc1nc(Cl)ccc1C(=O)NCC1N=NC(=S)N1C
342595584	ZINC000616963334	ref	4.25	-20.58	0	278.327	1.399	2	2	5	C[C@@H](CCc1ccccc1F)C(=O)N[C@H]1CCNC1=O
398248914	ZINC000649443097	ref	7.65	-5.48	0	240.302	3.435	0	2	3	COCc1ccccc1-c1ccc2c(c1)CCO2
136229201	ZINC000184903647	ref	4.34	-9.49	0	213.321	2.13	1	2	7	C=CC[C@H](C)NC(=O)C(C)(C)CCOC
398248921	ZINC000649443235	ref	5.79	-44.79	1	203.285	2.21	1	1	3	COCc1ccccc1C1=CC[NH2+]CC1
398248923	ZINC000649443043	ref	7.08	-46.23	1	224.307	2.92	1	1	1	Cc1c(C2=CC[NH2+]CC2)ccc2cccnc12
398248928	ZINC000649443059	ref	8.18	-41.97	1	245.366	3.236	1	1	5	CC(C)COCc1cccc(C2=CC[NH2+]CC2)c1
398248931	ZINC000649443113	ref	6.26	-44.75	1	232.327	2.636	1	2	2	CC(C)(C)Oc1ccc(C2=CC[NH2+]CC2)cn1
398248936	ZINC000649443218	ref	3.11	-44.78	1	219.284	1.434	2	2	4	OCCOc1cccc(C2=CC[NH2+]CC2)c1
365634145	ZINC000354705585	ref	4.08	-11.53	0	271.279	1.743	1	3	8	CCOC[C@H](NC(=O)COCC(F)(F)F)C(C)C
342595585	ZINC000616967382	ref	2.54	-18.92	0	292.383	1.38	2	4	3	CC(C)c1cc(C(=O)N[C@@H]2CCNC2=O)nn1C(C)(C)C
342595586	ZINC000616967352	ref	2.25	-16.38	0	282.727	1.114	2	3	5	O=C(CCOc1cccc(Cl)c1)N[C@H]1CCNC1=O
398248944	ZINC000649443083	ref	7.58	-44.27	1	227.307	2.582	1	1	1	O=C1CCCc2ccc(C3=CC[NH2+]CC3)cc21
398248948	ZINC000649443139	ref	6.96	-45.47	1	213.28	2.192	1	1	1	O=C1CCc2ccc(C3=CC[NH2+]CC3)cc21
136229202	ZINC000184903931	ref	2.19	-11.12	0	212.293	0.841	2	2	6	C=C(C)C[C@H](C)C(=O)NCCNC(C)=O
259308268	ZINC000356851311	ref	2.23	-7.76	0	241.331	1.245	2	3	6	C=C[C@H](CO)NC(=O)[C@@H]1CCO[C@@H](CCC)C1
398248955	ZINC000649443162	ref	7.06	-6.6	0	238.286	3.319	0	2	1	c1cc2c(cc1-c1ccc3c(c1)CCO3)COC2
398248959	ZINC000649443191	ref	5.95	-51.0	1	242.322	2.338	2	1	1	O=C1CCCc2c(cccc2C2=CC[NH2+]CC2)N1
365634147	ZINC000623065305	high	2.48	-49.45	-1	300.362	1.137	1	4	3	CCC[C@H]1CNCCN1C(=O)c1nc2ccccc2c(=O)[n-]1
187169634	ZINC000125095581	ref	3.61	-9.99	0	280.372	1.582	2	4	5	CCC[C@H](C)c1cc(NC(=O)[C@@H]2CN(C)CCO2)n[nH]1
282122431	ZINC000496649992	ref	7.1	-55.19	1	309.454	3.352	2	3	6	CCC(CC)(C[NH2+][C@H]1CC[C@@H](C#N)C1)NC(=O)OC(C)(C)C
365634154	ZINC000623065529	ref	1.5	-55.5	1	311.407	1.21	3	3	3	C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1
365634160	ZINC000623065474	ref	1.43	-50.74	1	316.361	1.08	4	3	2	CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
342595587	ZINC000616966762	ref	2.49	-16.9	0	258.277	1.36	2	3	2	Cc1cccc2cc(C(=O)N[C@H]3CCNC3=O)oc12
187169635	ZINC000125095581	low	6.04	-47.74	1	280.372	1.582	3	3	5	CCC[C@H](C)c1cc(NC(=O)[C@@H]2C[N@H+](C)CCO2)n[nH]1
365634164	ZINC000623065474	high	-0.38	-78.24	0	316.361	1.08	3	3	2	CC1(C)C[NH2+]CC[C@H]1NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365634168	ZINC000623066216	ref	4.17	-40.01	1	304.213	1.73	1	3	3	C[NH2+]C[C@H]1CCCN1C(=O)c1ncc(Br)s1
342595588	ZINC000616963107	ref	3.71	-23.26	0	296.754	1.502	2	3	5	CC[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
365634172	ZINC000623066579	ref	2.56	-40.21	1	304.213	1.633	2	3	2	C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ncc(Br)s1
342595589	ZINC000616967524	ref	3.74	-16.36	0	258.321	1.113	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccccc2)CCC1
342595590	ZINC000616963071	ref	3.7	-20.89	0	290.363	1.467	2	3	6	Cc1ccc(OCCCC(=O)N[C@@H]2CCNC2=O)cc1C
187169636	ZINC000125095581	low	5.85	-40.54	1	280.372	1.582	3	3	5	CCC[C@H](C)c1cc(NC(=O)[C@@H]2C[N@@H+](C)CCO2)n[nH]1
342595591	ZINC000616963038	ref	4.19	-18.93	0	296.754	1.747	2	3	5	CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CCNC1=O
187169637	ZINC000125094666	ref	-0.71	-7.48	0	290.722	1.734	4	3	5	CCC(CO)(CO)NC(=O)Nc1ccc(F)cc1Cl
342595592	ZINC000616963182	ref	3.03	-16.59	0	272.304	1.668	2	3	2	Cc1cc2cc(C(=O)N[C@H]3CCNC3=O)oc2cc1C
365634176	ZINC000623065406	ref	2.55	-43.96	1	304.213	1.633	2	3	2	C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ncc(Br)s1
342595593	ZINC000194472213	ref	2.04	-14.29	0	289.335	1.11	2	5	6	C[C@H](O)CNC(=O)c1ccc(OCc2ccnn2C)cc1
342595594	ZINC000364817110	ref	7.3	-44.39	1	278.396	1.664	1	2	3	C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1
349534721	ZINC000258918862	ref	7.11	-6.14	0	230.355	3.544	0	2	4	CC(C)c1ccc(CN(C)C(C)(C)C#N)cc1
342595595	ZINC000364817110	high	4.9	-10.67	0	278.396	1.664	0	3	3	C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H](N2CCCC2)C1
178301622	ZINC000237195700	ref	1.32	-46.45	1	351.23	1.085	3	4	10	COCC[NH2+]CC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl
178301625	ZINC000237195700	high	-0.03	-12.89	0	351.23	1.085	3	5	10	COCCNCC(=O)NC[C@H](O)COc1cccc(Cl)c1Cl
398248911	ZINC000367095007	high	5.27	-2.45	0	215.312	2.283	1	2	5	CCO[C@H]1C[C@H](NCCF)C12CCCC2
343993873	ZINC000139226234	ref	3.87	-3.0	0	142.242	2.505	1	1	5	CCCCC/C(C)=C/CO
168364711	ZINC000368496391	mid	7.33	-10.56	0	331.46	3.392	1	3	4	O=C(NC[C@H](c1ccco1)N1CCCC1)N1CCC2(CCC2)CC1
168364712	ZINC000368495301	ref	10.22	-46.83	1	336.52	3.164	1	2	5	C[C@H]1CCCN(C(=O)C2CC[NH+](CCCC3CCOCC3)CC2)C1
214184911	ZINC000278486336	ref	6.37	-46.01	1	320.433	2.064	2	3	7	COCc1cccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1
168364713	ZINC000368497702	ref	7.83	-42.6	1	340.826	3.31	2	2	4	O=C(CC[N@@H+]1CC[C@]2(CCCOC2)C1)Nc1ccc(Cl)cc1F
168364714	ZINC000368497702	mid	7.76	-43.63	1	340.826	3.31	2	2	4	O=C(CC[N@H+]1CC[C@]2(CCCOC2)C1)Nc1ccc(Cl)cc1F
398248916	ZINC000367041677	ref	-1.31	-10.11	0	235.305	-0.44	1	4	4	CO[C@@H]1C[C@@H](CO)N(S(=O)(=O)C2CC2)C1
398248927	ZINC000367375035	ref	4.72	-40.35	1	216.3	1.191	1	1	4	CC[C@@H](C)C(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C
282122432	ZINC000353890370	high	2.78	-4.92	0	311.426	0.47	1	4	3	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC2(C)C)CCO1
168364718	ZINC000368498197	ref	8.32	-44.6	1	345.487	3.292	3	2	5	C[NH+]1CCC(Oc2ccc(CNC(=O)NC3CCCCC3)cc2)CC1
168364721	ZINC000368498197	high	5.93	-8.56	0	345.487	3.292	2	3	5	CN1CCC(Oc2ccc(CNC(=O)NC3CCCCC3)cc2)CC1
168364724	ZINC000368496983	ref	6.83	-10.94	0	338.492	3.186	1	3	6	CCOCCC1(CNC(=O)N2CC[C@]3(CCCOC3)C2)CCCC1
398248935	ZINC000367095006	ref	6.66	-34.47	1	215.312	2.283	1	1	5	CCO[C@H]1C[C@@H]([NH2+]CCF)C12CCCC2
398248938	ZINC000367095006	high	5.46	-1.78	0	215.312	2.283	1	2	5	CCO[C@H]1C[C@@H](NCCF)C12CCCC2
185088638	ZINC000096073177	ref	5.08	-12.74	0	290.363	1.768	0	4	3	CC(=O)N1CCC2(CC1)C[C@@H](OCc1cccnc1)CO2
214184915	ZINC000278486336	mid	6.39	-47.2	1	320.433	2.064	2	3	7	COCc1cccc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1
343993877	ZINC000139276550	ref	0.56	-14.39	0	146.096	0.708	1	2	1	O=c1[nH]ccnc1C(F)F
432002729	ZINC000129237425	high	5.62	-50.53	-1	313.687	3.341	1	3	4	O=C(COc1ccc(F)cc1Cl)Nc1cccc([O-])c1F
168366047	ZINC000090397988	ref	3.5	-44.67	1	179.267	1.109	1	2	2	C[C@@H]([NH3+])Cc1cnn2c1CCCC2
398248950	ZINC000367282785	ref	2.89	-4.6	0	239.702	2.152	1	3	2	Clc1cccc2c1[C@@H](N[C@H]1CCOC1)CO2
178301624	ZINC000082796565	ref	4.38	-54.02	1	262.309	0.553	2	3	4	COC(=O)CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21
365634152	ZINC000354703896	ref	5.31	-18.59	0	284.319	1.739	1	4	3	Cc1ccc(C(=O)N(C)C)cc1NC(=O)c1cncnc1
282122433	ZINC000245401206	ref	7.81	-51.66	1	348.495	1.567	3	4	4	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CC2
185088643	ZINC000096072936	ref	2.9	-44.48	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@@H+](CCO)C3)C2)n1
168364720	ZINC000082321208	ref	5.78	-40.52	1	188.274	2.068	1	1	2	C[C@@H]([NH3+])Cc1ccc2c(ccn2C)c1
214184918	ZINC000278486336	high	4.29	-11.25	0	320.433	2.064	1	4	7	COCc1cccc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1
178301626	ZINC000082796565	high	2.9	-15.14	0	262.309	0.553	2	4	4	COC(=O)CCNC(=O)[C@@H]1CNCc2ccccc21
342078837	ZINC000625297120	high	6.26	-7.33	0	268.401	1.744	0	3	5	CCO[C@H](CN1CCN(C(C)=O)CC1(C)C)C1CC1
168364723	ZINC000039090264	ref	3.01	-41.33	1	187.189	1.691	1	1	3	C[C@@H]([NH3+])COc1cc(F)ccc1F
185088645	ZINC000096072936	mid	2.68	-44.46	1	288.351	0.591	3	5	4	N#Cc1cccc(N[C@H]2CO[C@@]3(CC[N@H+](CCO)C3)C2)n1
342078838	ZINC000625297193	ref	4.2	-43.44	1	256.39	1.553	2	2	5	C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1CCOCC1
178301632	ZINC000082796525	ref	3.95	-45.96	1	260.337	1.169	2	2	3	O=C(NC[C@H]1CCCO1)[C@H]1C[NH2+]Cc2ccccc21
178301635	ZINC000082796525	high	2.42	-8.42	0	260.337	1.169	2	3	3	O=C(NC[C@H]1CCCO1)[C@H]1CNCc2ccccc21
168364727	ZINC000039072848	ref	1.19	-92.48	1	146.19	-0.604	2	2	4	C[C@@H]([NH3+])C[NH2+][C@H](C)C(=O)[O-]
178301638	ZINC000082796584	ref	7.27	-48.77	1	266.344	2.821	2	1	2	Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1
178301641	ZINC000082796584	high	5.7	-9.6	0	266.344	2.821	2	2	2	Cc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1
342078839	ZINC000046503375	ref	5.91	-14.43	0	296.367	1.675	0	5	7	CCN(CC)C(=O)CN(C)Cc1cc(C)c(C(=O)OC)o1
349534723	ZINC000618812869	ref	5.69	-22.58	0	286.335	1.652	0	5	6	C=CCOc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1
282122439	ZINC000123669266	ref	7.29	-15.78	0	316.43	2.199	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCc3sccc31)CC2
282123634	ZINC000248985771	ref	-0.07	-7.83	0	305.378	1.609	2	6	7	Cc1ccccc1-c1nc(CN(C[C@H](C)O)[C@H](C)CO)no1
178301650	ZINC000082797656	ref	2.99	-44.18	1	258.412	2.082	2	3	6	C[NH2+][C@](C)(C[C@H](C)Sc1cccs1)C(N)=O
349534727	ZINC000618813796	ref	4.62	-21.89	0	293.396	1.976	0	6	4	Cc1nc(C(C)C)sc1C(=O)N(C)Cc1cn(C)nn1
168364729	ZINC000039072848	mid	0.88	-32.05	0	146.19	-0.604	2	3	4	C[C@@H](N)C[NH2+][C@H](C)C(=O)[O-]
168364722	ZINC000336749550	ref	4.92	-36.59	1	215.381	2.809	2	1	9	CCC(CC)C[NH2+][C@H](CC)C[C@H](C)CO
185088646	ZINC000096072936	high	0.14	-11.61	0	288.351	0.591	2	6	4	N#Cc1cccc(N[C@H]2CO[C@@]3(CCN(CCO)C3)C2)n1
185088649	ZINC000096072313	ref	2.31	-18.34	0	292.339	-0.023	1	6	4	CNC(=O)CO[C@@H]1CO[C@@]2(CCN(c3cnccn3)C2)C1
342595596	ZINC000364817111	ref	7.29	-44.34	1	278.396	1.664	1	2	3	C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH+]2CCCC2)C1
342595597	ZINC000364817111	high	4.88	-10.87	0	278.396	1.664	0	3	3	C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H](N2CCCC2)C1
342595598	ZINC000616966809	ref	2.32	-19.32	0	294.376	1.18	2	4	5	COc1ccc(S[C@H](C)C(=O)N[C@H]2CCNC2=O)cc1
365634156	ZINC000354704097	ref	4.74	-11.55	0	280.291	1.369	1	6	4	O=C(Nc1cncnc1)c1cnnn1Cc1ccccc1
342595599	ZINC000616967353	ref	2.9	-19.05	0	290.367	1.134	2	4	3	CC(C)(C)n1nc(C(=O)N[C@H]2CCNC2=O)cc1C1CC1
282122436	ZINC000336816477	ref	3.66	-48.8	1	291.457	2.137	1	3	7	CCC(CC)(C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)OC
365634163	ZINC000354704511	ref	3.53	-27.29	0	297.376	1.101	1	4	6	CCOc1ccc(OCC(=O)N[C@H]2CC[S@](=O)C2)cc1
365634167	ZINC000354705026	ref	5.72	-9.83	0	255.358	1.827	0	3	4	CCOC1CC(C(=O)N2C[C@H](C)OC[C@@H]2CC)C1
168364726	ZINC000063218137	ref	6.14	-33.5	1	235.371	2.616	2	1	8	CCC(CC)C[NH2+][C@H](CO)Cc1ccccc1
168364730	ZINC000035274523	ref	6.77	-39.73	1	223.364	2.815	1	2	6	CCC(CC)C[NH2+][C@H](C)c1cnn(C)c1C
365634173	ZINC000354705352	ref	4.55	-8.91	0	262.334	1.994	2	4	4	Cc1csc(NC(=O)[C@H](O)Cc2ccccc2)n1
365634178	ZINC000354705572	ref	5.4	-7.71	0	261.369	1.872	0	4	3	Cc1cnc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)n1C
365634182	ZINC000354705572	low	5.87	-27.33	1	261.369	1.872	0	3	3	Cc1c[nH+]c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)n1C
365634190	ZINC000354704628	ref	1.8	-22.14	0	293.323	1.02	1	4	2	O=C(N[C@H]1CC[S@@](=O)C1)c1cc(F)cc2nccnc12
342595600	ZINC000616962883	ref	3.85	-21.44	0	276.336	1.157	2	3	5	CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCNC1=O
136229203	ZINC000343328037	ref	2.85	-12.54	0	214.294	0.653	2	4	4	CSCC(=O)N[C@H](C)c1nnc(C)[nH]1
178301634	ZINC000237191407	ref	6.06	-14.56	0	358.486	1.501	1	4	5	CN1CCN(C(=O)CC2CCN(C(=O)CNc3ccccc3)CC2)CC1
282122438	ZINC000423032144	ref	5.8	-103.61	2	307.438	2.479	2	3	8	CCC(CC)(C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)C(=O)OC
398248912	ZINC000076865115	high	5.33	-5.13	0	232.352	3.05	1	3	4	Cc1nc(C)c(CNCc2ccccc2)s1
342595601	ZINC000616963035	ref	4.24	-18.63	0	282.384	1.365	2	3	5	CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@H]1CCNC1=O
187169638	ZINC000125092514	ref	7.02	-51.48	1	262.328	1.749	1	1	2	C[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
342595602	ZINC000616963070	ref	3.7	-20.87	0	290.363	1.467	2	3	6	Cc1ccc(OCCCC(=O)N[C@H]2CCNC2=O)cc1C
365634179	ZINC000623065680	ref	3.65	-77.32	0	303.391	1.166	1	3	2	[NH3+]C[C@@H]1CN(C(=O)N=c2[n-]ncs2)C[C@H]1c1ccccc1
295666280	ZINC000183199903	ref	5.11	-14.32	0	349.387	1.588	1	6	5	O=C(NC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1N1CCOCC1
398248913	ZINC000286148754	low	8.08	-37.52	1	220.32	1.532	1	3	5	C#CC(C)(C)[N@@H+](C)Cc1ncnn1CCC
342595603	ZINC000616966819	ref	2.72	-15.84	0	297.152	1.376	2	2	2	Cc1cc(Br)ccc1C(=O)N[C@@H]1CCNC1=O
365634186	ZINC000623065341	ref	3.75	-47.4	1	307.398	1.137	2	4	4	COCCn1cc(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cn1
168364731	ZINC000334968999	ref	3.92	-121.57	2	170.3	1.502	2	0	3	C[C@@H]([NH3+])C[NH2+][C@@H]1CCCC1(C)C
342595604	ZINC000616962908	ref	3.62	-18.37	0	285.347	1.414	3	2	4	Cc1ccc2c(CCC(=O)N[C@H]3CCNC3=O)c[nH]c2c1
365634191	ZINC000623066580	ref	3.1	-39.92	1	304.213	1.633	2	3	2	C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ncc(Br)s1
342595605	ZINC000616962948	ref	4.21	-17.6	0	274.364	1.821	2	2	5	CC(C)C[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
187169639	ZINC000125092514	mid	5.69	-7.82	0	262.328	1.749	1	2	2	C[C@@H]1CNCCN1C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1
136229204	ZINC000343328037	mid	2.36	-12.48	0	214.294	0.653	2	4	4	CSCC(=O)N[C@H](C)c1n[nH]c(C)n1
187169640	ZINC000125093439	ref	8.12	-47.39	1	288.435	2.859	2	1	8	C[C@H](CC(C)(C)c1ccccc1)[NH2+]CCNC(=O)C1CC1
187169641	ZINC000125097461	ref	2.77	-11.69	0	251.326	1.48	2	3	8	C[C@@H](CO)NC(=O)CCCOCc1ccccc1
187169642	ZINC000125096110	ref	8.29	-45.51	1	283.303	1.883	1	4	4	COc1cc(N2CC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])cc1F
187169643	ZINC000125095063	ref	3.9	-7.02	0	292.77	2.626	3	5	5	CNc1c(Cl)ncnc1NC[C@H](O)c1cccc(C)c1
136229419	ZINC000293352883	high	5.68	-4.96	0	208.305	2.635	0	3	7	C=CCCCN(C)Cc1conc1CC
342595606	ZINC000616963043	ref	3.08	-17.82	0	276.336	1.482	2	3	5	CC[C@H](C)Oc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
262839519	ZINC000399589188	high	6.59	-3.98	0	241.375	2.693	0	3	2	C[C@@H]1CN([C@H](C)C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C
342595607	ZINC000616963337	ref	4.26	-18.79	0	278.327	1.399	2	2	5	C[C@H](CCc1ccccc1F)C(=O)N[C@@H]1CCNC1=O
342595608	ZINC000616963034	ref	4.26	-18.27	0	282.384	1.365	2	3	5	CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N[C@H]1CCNC1=O
342595609	ZINC000616963062	ref	2.82	-27.04	0	269.304	1.162	2	3	2	Cc1ccc2cccc(C(=O)N[C@@H]3CCNC3=O)c2n1
178301637	ZINC000237191407	mid	8.41	-51.85	1	358.486	1.501	2	3	5	C[NH+]1CCN(C(=O)CC2CCN(C(=O)CNc3ccccc3)CC2)CC1
365634180	ZINC000274356493	ref	-0.52	-6.34	0	293.194	1.811	2	4	6	CN(Cc1nc(Cl)ccc1Cl)CC(C)(CO)CO
178301640	ZINC000237188498	ref	4.52	-72.54	1	358.442	1.491	3	4	4	CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC3([NH3+])CCCCCC3)ccc21
178301642	ZINC000237191509	ref	6.06	-47.68	1	361.486	1.908	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](NC(=O)c2ccc(OC)cc2)C(C)C)C1
178301645	ZINC000237182091	ref	8.17	-40.83	1	356.47	1.686	1	4	7	COC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1
178301648	ZINC000237182091	mid	7.87	-11.31	0	356.47	1.686	1	5	7	COC[C@@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1
178301651	ZINC000237182091	low	8.73	-116.1	2	356.47	1.686	1	3	7	COC[C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1
365634184	ZINC000274356493	low	1.76	-33.29	1	293.194	1.811	3	3	6	C[N@H+](Cc1nc(Cl)ccc1Cl)CC(C)(CO)CO
365634189	ZINC000274356493	low	1.33	-33.61	1	293.194	1.811	3	3	6	C[N@@H+](Cc1nc(Cl)ccc1Cl)CC(C)(CO)CO
365634197	ZINC000274356468	ref	1.17	-9.47	0	284.381	1.505	2	4	4	CO[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1cccc(N)c1
365634201	ZINC000274356682	ref	3.67	-40.45	1	276.336	1.032	2	3	6	C[C@H](O)C[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O
178301654	ZINC000237180032	ref	4.76	-51.52	1	357.458	1.545	1	5	6	C[NH2+]C[C@@H](C)C(=O)N1CCN(Cc2nc(-c3ccc(C)cc3)no2)CC1
178301657	ZINC000237185779	ref	6.39	-47.21	1	361.486	1.908	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)c2ccc(OC)cc2)C(C)C)C1
168364732	ZINC000368495281	ref	10.0	-46.61	1	345.487	3.247	2	3	6	Cc1cccnc1NC(=O)[C@@H]1CCC[N@H+](CCCC2CCOCC2)C1
178301659	ZINC000237197196	ref	4.42	-53.76	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1
178301661	ZINC000237197196	mid	6.77	-98.59	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2)CC1
349534725	ZINC000621492373	ref	8.73	-10.31	0	294.345	3.108	1	1	3	Cc1ccc2c(c1)CN(C(=O)NCC[C@@H]1CC1(F)F)CC2
365634207	ZINC000274353858	ref	3.63	-43.32	1	297.424	1.372	2	3	3	C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@@H+]1C
349534731	ZINC000621493898	ref	7.31	-9.93	0	262.344	3.109	1	1	5	CN(CCC(C)(C)C)C(=O)NCC[C@@H]1CC1(F)F
168366051	ZINC000043042693	ref	3.67	-33.32	1	196.269	1.776	1	1	3	C[C@@H]([NH3+])[C@@H](c1ccccc1F)N(C)C
214184921	ZINC000278485936	ref	9.48	-39.25	1	321.486	3.429	1	3	7	COc1cccc(C[N@H+](C[C@H]2CCSC2)C[C@H]2CCCO2)c1
214184924	ZINC000278485936	mid	9.51	-41.35	1	321.486	3.429	1	3	7	COc1cccc(C[N@@H+](C[C@H]2CCSC2)C[C@H]2CCCO2)c1
214184929	ZINC000278486299	ref	6.16	-12.86	0	311.345	1.524	0	6	2	Cn1ncc2c(N3CCN(C(=O)c4ccco4)CC3)ccnc21
214184932	ZINC000278486016	ref	7.71	-12.71	0	317.341	2.46	1	6	7	CCOC(=O)[C@H](NCc1cc(C(=O)OC)co1)c1ccccc1
168364733	ZINC000334968999	mid	3.5	-30.83	1	170.3	1.502	2	1	3	C[C@@H](N)C[NH2+][C@@H]1CCCC1(C)C
168364737	ZINC000075560408	ref	2.19	-53.22	1	170.256	0.592	1	1	2	C[C@@H]([NH3+])C[C@H]1CCC(=O)N(C)C1
343993874	ZINC000625558965	ref	1.32	-12.62	0	246.357	1.447	1	4	5	C/C=C/CNS(=O)(=O)Cc1csc(C)n1
349534726	ZINC000594969273	ref	5.79	-54.45	1	297.468	2.552	1	3	5	Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
168364740	ZINC000044410327	ref	-0.88	-43.94	1	167.208	0.987	3	2	2	C[C@@H]([NH3+])Cc1cc(O)ccc1O
168364742	ZINC000041168084	ref	-1.32	-43.65	1	166.246	-0.775	1	2	3	C[C@@H]([NH3+])CS(=O)(=O)N(C)C
168364744	ZINC000041168084	high	-1.7	-8.56	0	166.246	-0.775	1	3	3	C[C@@H](N)CS(=O)(=O)N(C)C
168364746	ZINC000044463500	ref	-0.18	-48.93	1	195.218	1.011	2	3	2	C[C@@H]([NH3+])Cc1cc(O)c2c(c1)OCO2
168364749	ZINC000081865372	ref	2.9	-39.37	1	168.265	1.521	1	2	3	C[C@@H]([NH3+])CSc1ccccn1
349534733	ZINC000594969273	high	4.59	-16.57	0	297.468	2.552	1	4	5	Cc1nn(C(C)C)cc1CN[C@@H]1CCC[C@H]([S@](C)=O)C1
349534736	ZINC000594969950	ref	8.41	-11.63	0	294.28	2.827	1	4	4	CCn1ccc(NCc2ccc(C#N)cc2C(F)(F)F)n1
214184937	ZINC000278486501	ref	8.21	-9.86	0	321.373	3.317	0	5	6	COC[C@H](OC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)c1nccs1
342078840	ZINC000046503375	low	8.26	-49.53	1	296.367	1.675	1	4	7	CCN(CC)C(=O)C[N@H+](C)Cc1cc(C)c(C(=O)OC)o1
214184942	ZINC000278484793	ref	8.97	-74.35	2	321.49	2.414	3	2	6	C[NH+](C)Cc1ccsc1C(=O)NCC1CC[NH+](C2CC2)CC1
342078841	ZINC000046503375	low	8.17	-49.84	1	296.367	1.675	1	4	7	CCN(CC)C(=O)C[N@@H+](C)Cc1cc(C)c(C(=O)OC)o1
178301639	ZINC000062152709	ref	4.82	-3.21	0	247.512	3.898	0	2	0	Cc1cc2nc(Cl)c(Cl)nc2cc1Cl
168364754	ZINC000000120261	ref	4.53	-43.04	1	169.655	2.23	1	0	2	C[C@@H]([NH3+])Cc1ccc(Cl)cc1
168364756	ZINC000082164493	ref	1.2	-39.0	1	171.265	1.519	2	2	3	C[C@@H]([NH3+])C[C@@H](O)c1cccs1
168364758	ZINC000002015705	ref	4.04	-42.87	1	174.247	2.058	2	0	2	C[C@@H]([NH3+])Cc1ccc2cc[nH]c2c1
168364760	ZINC000019088288	ref	2.93	-39.44	1	141.239	1.638	1	1	2	C[C@@H]([NH3+])Cc1ccsc1
342078842	ZINC000046502263	ref	5.87	-42.43	1	287.407	1.453	2	2	6	CNC(=O)CC[NH+]1CCN(C/C=C\c2ccccc2)CC1
349534728	ZINC000602430607	ref	4.14	-8.97	0	228.317	1.528	0	5	6	CCCN(CC(=O)OC)Cc1ccns1
398248915	ZINC000650874371	ref	1.54	-13.22	0	253.346	1.128	3	2	4	C[C@H](NC(=O)N[C@@H]1C[C@H](C(N)=O)C1)C1CCCC1
398248919	ZINC000650873704	ref	5.2	-13.86	0	281.4	1.733	2	2	5	CCN1C[C@H](CNC(=O)N[C@H](C)C2CCCC2)CC1=O
398248925	ZINC000650870849	ref	3.25	-7.38	0	260.353	1.831	3	2	5	C[C@@H]1CC[C@H](NC(=O)N[C@H](CO)CCF)[C@H](C)C1
398248929	ZINC000650874639	ref	1.46	-15.5	0	287.319	1.496	3	3	4	NC(=O)[C@H]1C[C@@H](NC(=O)NCc2coc3ccccc23)C1
398248933	ZINC000650870879	ref	1.86	-13.12	0	267.373	1.374	3	2	3	C[C@H]1C[C@H](C)CC[C@H]1NC(=O)N[C@@H]1C[C@H](C(N)=O)C1
398248941	ZINC000650874462	ref	3.81	-10.53	0	270.373	1.356	2	3	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)C1CCCC1
398248946	ZINC000650874483	ref	5.93	-18.12	0	270.348	1.594	0	2	1	CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H](F)C1
168364734	ZINC000368495281	mid	10.21	-38.81	1	345.487	3.247	2	3	6	Cc1cccnc1NC(=O)[C@@H]1CCC[N@@H+](CCCC2CCOCC2)C1
168364736	ZINC000368501249	ref	4.44	-7.34	0	329.227	3.187	1	3	3	O=C(CN1CCC[C@@]12CCOC2)Nc1c(Cl)cccc1Cl
398248952	ZINC000650874866	ref	3.09	-9.76	0	269.345	1.71	2	4	6	CC(C)c1cc(CNC(=O)N(C)[C@@H](C)CCO)on1
398248957	ZINC000650870859	ref	4.8	-11.88	0	274.311	1.854	1	2	2	C[C@]1(CNC(=O)N2CC[C@@]3(C2)CC3(F)F)CCOC1
197592793	ZINC000290091297	ref	1.19	-17.66	0	278.312	0.018	1	5	5	O=C(NCCCN1CCCC1=O)c1cc2n(n1)CCO2
187169644	ZINC000125098845	ref	9.78	-39.62	1	271.364	2.235	1	3	3	CC[C@@H]1CC[N@H+](Cc2cc(=O)n3c(C)cccc3n2)C1
349534732	ZINC000258901094	ref	10.11	-36.28	0	249.354	2.587	1	2	6	CCc1ccc(CC[N@H+](C)C(C)(C)C(=O)[O-])cc1
342078843	ZINC000046502263	high	3.48	-9.38	0	287.407	1.453	1	3	6	CNC(=O)CCN1CCN(C/C=C\c2ccccc2)CC1
349534734	ZINC000258901094	mid	10.11	-36.29	0	249.354	2.587	1	2	6	CCc1ccc(CC[N@@H+](C)C(C)(C)C(=O)[O-])cc1
349534739	ZINC000602431717	ref	3.18	-37.53	1	223.32	1.17	2	2	6	CCC(C#N)(CC)C(=O)N[C@H](C[NH3+])C1CC1
349534744	ZINC000602430160	ref	6.83	-48.87	1	232.327	2.764	2	2	6	C[C@@H](CCC#N)C[N@H+](C)Cc1cccc(O)c1
398248964	ZINC000650873896	ref	1.76	-10.87	0	281.4	1.025	2	3	3	C[C@@H](NC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CCCC1
398248967	ZINC000650873896	mid	4.13	-46.92	1	281.4	1.025	3	2	3	C[C@@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CCCC1
342078844	ZINC000625297100	ref	3.37	-18.26	0	265.338	1.338	2	3	5	Cc1ccccc1CS(=O)(=O)NCc1c[nH]cn1
342078845	ZINC000625297100	mid	3.33	-16.81	0	265.338	1.338	2	3	5	Cc1ccccc1CS(=O)(=O)NCc1cnc[nH]1
214184923	ZINC000337621990	mid	12.39	-35.12	1	296.414	3.435	1	2	7	CCc1ccc(C[N@@H+](CC(=O)c2cccn2C)C2CC2)cc1
365634187	ZINC000641599212	ref	-0.78	-12.28	0	261.347	1.002	1	4	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)N(C)C
178301644	ZINC000116183472	ref	4.99	-5.52	0	201.056	3.178	1	1	0	Cc1cc2[nH]c(Cl)nc2cc1Cl
365634195	ZINC000641600988	ref	2.75	-7.63	0	288.351	1.113	1	5	3	NC(=O)c1cc(N2CC3(CCC3)[C@@H]2[C@H]2CCCO2)ncn1
365634200	ZINC000641599261	ref	4.52	-17.12	0	281.381	1.013	1	5	4	O=S1(=O)CCC[C@@H](CNc2cc(C3CC3)ncn2)C1
178301649	ZINC000116183472	mid	4.99	-4.52	0	201.056	3.178	1	1	0	Cc1cc2nc(Cl)[nH]c2cc1Cl
365634208	ZINC000641601198	ref	5.0	-14.6	0	281.739	1.62	1	3	3	Cc1c(Cl)cccc1OCC(=O)N1C[C@H]2C[C@@]2(O)C1
365634213	ZINC000641601512	ref	2.64	-14.88	0	298.408	1.529	1	4	5	C[C@H](CNS(=O)(=O)[C@H]1CCOC[C@H]1C)c1ccccn1
185088658	ZINC000096072113	ref	4.52	-17.71	0	293.367	0.927	0	5	5	COCC[C@@H]1CO[C@@]2(CCN(C(=O)Cn3cccn3)C2)C1
168364735	ZINC000336700417	ref	4.64	-40.07	1	213.365	2.563	2	1	6	CCC(CC)C[NH2+][C@H]1CCC[C@@H](CO)C1
168364739	ZINC000083349980	ref	7.27	-6.98	0	219.328	3.737	1	2	6	CCC(CC)CNc1ccc(C(C)=O)cc1
365634220	ZINC000641601080	ref	1.99	-10.34	0	291.413	1.432	1	4	5	CC1(C)C[C@H](NS(=O)(=O)CC[C@@H]2CCCCO2)CO1
299072186	ZINC000354603496	ref	1.12	-21.03	0	336.388	0.31	2	5	7	COCCOc1cccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(C)=O)c1
398248917	ZINC000647170581	ref	2.89	-40.19	1	237.303	1.144	1	4	6	COc1ncncc1C[NH2+]CC[C@H]1CCCO1
398248920	ZINC000647170581	high	1.52	-5.55	0	237.303	1.144	1	5	6	COc1ncncc1CNCC[C@H]1CCCO1
282122437	ZINC000346906696	ref	6.45	-84.85	2	269.389	0.117	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1
214184926	ZINC000337622066	ref	4.58	-9.87	0	277.368	2.257	2	3	4	CC(C)CNC(=O)N[C@H]1CCCO[C@H]1c1ccncc1
299072190	ZINC000354601693	ref	-0.45	-15.34	0	335.389	0.12	2	6	5	CN(C)c1cccc(CNC(=O)c2ccc(S(N)(=O)=O)cn2)n1
342595610	ZINC000616963343	ref	3.48	-18.69	0	262.284	1.234	2	2	4	O=C(C/C=C/c1ccc(F)cc1)N[C@H]1CCNC1=O
178301663	ZINC000040308853	ref	4.05	-17.48	0	215.256	1.669	1	4	2	Cc1cc2nc(CO)n(CC#N)c2cc1C
136229205	ZINC000184919767	ref	6.38	-11.38	0	230.311	2.452	1	2	5	CC#CCCCC(=O)N[C@@H](C)c1cccnc1
168364745	ZINC000310018883	ref	6.28	-33.87	1	229.364	2.206	1	2	8	CCC(CC)C[NH2+][C@H](COC)[C@@H]1CCCO1
365634226	ZINC000641600986	ref	2.48	-6.67	0	288.351	1.113	1	5	3	NC(=O)c1cc(N2CC3(CCC3)[C@H]2[C@H]2CCCO2)ncn1
342595611	ZINC000616967347	ref	2.6	-19.08	0	278.274	1.36	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@H]1CCC[C@@H](C(F)(F)F)C1
199273023	ZINC000294963224	ref	4.87	-7.98	0	261.365	3.081	2	2	3	C[C@H]1C[C@H](C(=O)NCc2ccc(O)cc2)CC[C@H]1C
342595612	ZINC000616963105	ref	3.69	-23.13	0	296.754	1.502	2	3	5	CC[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
199273025	ZINC000294963267	ref	4.07	-53.14	1	293.363	1.523	2	4	7	CC[C@@H]([NH2+]CC1(CO)COC1)c1ccc(C(=O)OC)cc1
342595613	ZINC000616966896	ref	2.28	-18.5	0	254.236	1.243	2	2	3	O=C(N[C@@H]1CCNC1=O)c1ccc(C(F)F)cc1
342595614	ZINC000616962946	ref	4.59	-16.92	0	274.364	1.821	2	2	5	CC(C)C[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
342595615	ZINC000616963032	ref	4.24	-18.12	0	282.384	1.365	2	3	5	CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N[C@@H]1CCNC1=O
168364738	ZINC000368500617	ref	8.51	-36.43	1	329.469	3.311	2	4	4	c1ccc(Nc2nc(C[N@@H+]3CC[C@@]4(CCCOC4)C3)cs2)cc1
168364741	ZINC000368500617	mid	8.6	-36.43	1	329.469	3.311	2	4	4	c1ccc(Nc2nc(C[N@H+]3CC[C@@]4(CCCOC4)C3)cs2)cc1
365634193	ZINC000354704508	ref	3.52	-19.07	0	297.376	1.101	1	4	6	CCOc1ccc(OCC(=O)N[C@@H]2CC[S@](=O)C2)cc1
197592809	ZINC000290091244	ref	2.8	-9.52	0	256.371	2.191	2	4	6	CNc1ccc(C(=O)NC[C@@H](OC)C(C)C)s1
187169645	ZINC000125098845	mid	9.38	-39.29	1	271.364	2.235	1	3	3	CC[C@@H]1CC[N@@H+](Cc2cc(=O)n3c(C)cccc3n2)C1
282122440	ZINC000423032144	high	5.4	-46.96	1	307.438	2.479	2	4	8	CCC(CC)(C[NH2+][C@H](C)c1ccc(CN)nc1C)C(=O)OC
187169646	ZINC000125098845	high	6.86	-11.36	0	271.364	2.235	0	4	3	CC[C@@H]1CCN(Cc2cc(=O)n3c(C)cccc3n2)C1
342595616	ZINC000616962907	ref	3.62	-19.7	0	285.347	1.414	3	2	4	Cc1ccc2c(CCC(=O)N[C@@H]3CCNC3=O)c[nH]c2c1
342595617	ZINC000616963296	ref	2.57	-17.9	0	276.336	1.482	2	3	3	CC(C)(C)Oc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
199273027	ZINC000294963267	high	2.89	-9.61	0	293.363	1.523	2	5	7	CC[C@@H](NCC1(CO)COC1)c1ccc(C(=O)OC)cc1
342595618	ZINC000616963322	ref	2.49	-18.75	0	290.216	1.463	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(C(F)(F)F)ccc1F
365634198	ZINC000354704212	ref	2.31	-15.41	0	292.257	1.768	2	3	6	CC[C@H](CC(F)(F)F)NC(=O)c1ccoc1CC(N)=O
197592815	ZINC000290091293	ref	2.76	-59.35	1	292.257	1.522	1	3	5	CO[C@H](C[NH3+])C(=O)N(C)c1cccc(OC(F)(F)F)c1
349534729	ZINC000093284955	ref	5.1	-15.62	0	277.303	0.996	2	4	5	Cn1cnc(CNC(=O)NCCc2ccccc2F)n1
323004516	ZINC000566535704	ref	7.37	-10.22	0	208.309	1.849	0	4	3	CCc1nnc(N2CCC[C@H]2C)n1CC
365634194	ZINC000172888459	ref	3.08	-9.42	0	287.319	1.276	2	4	5	Cc1ccccc1O[C@@H](C)CNC(=O)c1ccc(=O)[nH]n1
178301652	ZINC000082797656	high	1.79	-6.07	0	258.412	2.082	2	4	6	CN[C@](C)(C[C@H](C)Sc1cccs1)C(N)=O
398248918	ZINC000286148754	low	8.25	-36.59	1	220.32	1.532	1	3	5	C#CC(C)(C)[N@H+](C)Cc1ncnn1CCC
365634205	ZINC000172891507	ref	-0.36	-10.71	0	289.335	1.584	0	6	5	COC[C@@H]1CN(Cc2nnc(-c3ccccc3)o2)CCO1
342078846	ZINC000625297100	low	3.85	-47.32	1	265.338	1.338	2	2	5	Cc1ccccc1CS(=O)(=O)NCc1c[nH+]c[nH]1
342078847	ZINC000625297100	low	3.83	-47.52	1	265.338	1.338	2	2	5	Cc1ccccc1CS(=O)(=O)NCc1c[nH]c[nH+]1
342078848	ZINC000625296825	ref	6.67	-10.87	0	278.4	1.848	1	5	5	CCc1nnc(N2CC[C@@H](CO)C[C@H]2C)n1CC1CC1
342078849	ZINC000625297195	ref	4.33	-42.61	1	256.39	1.553	2	2	5	C[C@H]([NH2+]CC(=O)NCC(C)(C)C)C1CCOCC1
342078850	ZINC000046511456	ref	5.29	-7.42	0	267.3	1.762	0	4	4	COC(=O)CCN1CCO[C@@H](c2ccc(F)cc2)C1
136229206	ZINC000292822068	ref	5.36	-38.86	1	208.305	0.858	2	1	4	C#CCNC(=O)CC[N@H+]1CCC(C)(C)C1
342078851	ZINC000046511456	low	7.15	-47.81	1	267.3	1.762	1	3	4	COC(=O)CC[N@@H+]1CCO[C@@H](c2ccc(F)cc2)C1
342078852	ZINC000046511456	low	7.57	-47.78	1	267.3	1.762	1	3	4	COC(=O)CC[N@H+]1CCO[C@@H](c2ccc(F)cc2)C1
178301671	ZINC000082798377	ref	2.7	-46.9	1	261.774	2.24	1	2	4	C[C@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccccc1Cl
168364743	ZINC000368500617	mid	5.86	-5.89	0	329.469	3.311	1	5	4	c1ccc(Nc2nc(CN3CC[C@@]4(CCCOC4)C3)cs2)cc1
282122443	ZINC000263097897	ref	9.57	-37.81	0	253.386	3.046	1	2	7	CCC(CC)(C[NH2+][C@H]1CCC[C@H]1C1CC1)C(=O)[O-]
178301674	ZINC000082798510	ref	2.3	-42.59	1	251.392	1.214	1	3	9	CCC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)CCOC
342078853	ZINC000625296587	ref	4.76	-41.61	1	292.383	1.059	2	4	3	C[N@@H+]1CCC[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1
342078854	ZINC000625296587	mid	5.28	-42.3	1	292.383	1.059	2	4	3	C[N@H+]1CCC[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1
342078855	ZINC000625296587	mid	2.4	-9.73	0	292.383	1.059	1	5	3	CN1CCC[C@H](NC(=O)c2ccn(C3CCOCC3)n2)C1
178301682	ZINC000082796504	ref	4.75	-47.83	1	256.305	1.783	2	2	3	O=C(NCc1ccco1)[C@H]1C[NH2+]Cc2ccccc21
178301684	ZINC000082796504	high	3.23	-8.68	0	256.305	1.783	2	3	3	O=C(NCc1ccco1)[C@H]1CNCc2ccccc21
343993876	ZINC000079917762	ref	5.09	-6.52	0	253.264	2.403	1	2	5	C[C@@H](C[C@H]1CCCO1)NC(=O)CCC(F)(F)F
282123635	ZINC000151702381	ref	6.75	-10.45	0	320.433	2.212	1	3	9	COC[C@@H](NC(=O)CCN(Cc1ccccc1)C(C)=O)C(C)C
187169647	ZINC000125098079	ref	6.26	-7.1	0	289.423	2.459	1	2	3	CCN1CCN(C(=O)NCc2c(C)cc(C)cc2C)CC1
282122442	ZINC000346906696	high	4.0	-43.68	1	269.389	0.117	1	3	3	CN(C)C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1
365634196	ZINC000623066006	ref	5.35	-50.25	1	300.362	1.137	2	3	2	CN(C(=O)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[NH2+]CC1
342595619	ZINC000616962949	ref	4.59	-17.59	0	274.364	1.821	2	2	5	CC(C)C[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365634199	ZINC000623066006	mid	4.29	-75.56	0	300.362	1.137	1	3	2	CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[NH2+]CC1
342595620	ZINC000616962937	ref	2.53	-18.55	0	282.39	1.083	2	4	2	O=C(N[C@@H]1CCNC1=O)[C@H]1SCCc2sccc21
342595621	ZINC000616962941	ref	5.21	-15.69	0	284.359	1.285	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@]12CCCc1ccccc12
187169648	ZINC000125098079	mid	8.62	-41.41	1	289.423	2.459	2	1	3	CC[NH+]1CCN(C(=O)NCc2c(C)cc(C)cc2C)CC1
187169649	ZINC000125100652	ref	5.73	-11.04	0	250.346	2.366	2	3	2	C[C@@H]1CC[C@@H](NC(=O)Nc2ccnn2C)[C@H](C)C1
185088666	ZINC000096072164	ref	7.93	-37.94	1	275.396	2.169	1	3	3	Cn1cc([C@H]2CO[C@@]3(CC[N@H+](CC4CCC4)C3)C2)cn1
187169650	ZINC000125092285	ref	3.37	-8.23	0	287.41	2.307	2	5	5	COCc1csc(NC(=O)NC[C@H]2CCCS2)n1
187169651	ZINC000125093910	ref	7.63	-38.5	1	250.342	1.97	1	2	5	CC[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccco2)C1
197592804	ZINC000162800679	ref	3.67	-43.66	1	315.211	2.298	1	3	3	Cc1cc(Br)cnc1OC[C@@H]1C[NH2+]CC(C)(C)O1
197592806	ZINC000162800679	high	2.48	-4.84	0	315.211	2.298	1	4	3	Cc1cc(Br)cnc1OC[C@@H]1CNCC(C)(C)O1
197592808	ZINC000162801918	ref	4.77	-9.03	0	315.822	2.576	1	3	4	O=S(=O)(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccccc1Cl
168364747	ZINC000020429925	ref	7.45	-3.21	0	229.726	4.327	1	1	5	CCC(CC)CNc1ccc(F)c(Cl)c1
342595622	ZINC000616962898	ref	2.49	-16.37	0	290.216	1.463	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(F)cc(C(F)(F)F)c1
342595623	ZINC000616963046	ref	2.6	-18.73	0	270.691	1.026	2	2	3	O=C(Cc1ccc(F)cc1Cl)N[C@H]1CCNC1=O
168364751	ZINC000338958880	ref	7.24	-43.58	1	235.375	2.823	1	2	5	CCC(CC)C[NH2+][C@H]1CCCc2nn(C)cc21
185088668	ZINC000096072164	mid	7.87	-38.53	1	275.396	2.169	1	3	3	Cn1cc([C@H]2CO[C@@]3(CC[N@@H+](CC4CCC4)C3)C2)cn1
168364757	ZINC000037771297	ref	7.9	-38.92	1	235.371	3.782	1	1	7	CCC(CC)C[NH2+][C@H](C)c1cccc(OC)c1
185088670	ZINC000096073783	ref	6.17	-37.25	1	288.395	1.922	2	4	4	c1cnc(N[C@@H]2CO[C@@]3(CCC[N@@H+](CC4CC4)C3)C2)cn1
343994977	ZINC000625565435	mid	9.28	-32.86	1	225.376	2.779	1	1	7	CCO[C@@H](C[N@@H+](C)C[C@H]1CC1(C)C)C1CC1
178301665	ZINC000237182682	ref	4.25	-45.61	1	358.438	1.941	2	4	9	COc1cc(OC)c(CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(OC)c1
178301669	ZINC000237182682	high	3.92	-12.08	0	358.438	1.941	2	5	9	COc1cc(OC)c(CCNC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1
178301672	ZINC000237197440	ref	3.19	-43.73	1	367.19	1.903	2	3	9	COCC[NH2+]CC(=O)NCc1cc(Br)ccc1OC(F)F
178301675	ZINC000237197440	high	1.85	-9.97	0	367.19	1.903	2	4	9	COCCNCC(=O)NCc1cc(Br)ccc1OC(F)F
178301678	ZINC000237191005	ref	3.63	-44.39	1	355.866	1.066	2	4	9	COCC[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1
178301681	ZINC000237191005	high	2.28	-10.02	0	355.866	1.066	2	5	9	COCCNCC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1
178301683	ZINC000237193330	ref	3.94	-54.22	1	360.52	1.064	1	4	8	COCCCN(C(=O)C[C@H](C)C1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1
282122444	ZINC000331775062	ref	6.45	-41.02	1	323.437	0.567	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)CCO1
168364752	ZINC000368497906	ref	5.97	-47.55	1	333.482	3.018	2	4	5	O=C1CC[C@H]([NH2+]Cc2csc(-c3ccsc3)n2)[C@H](C2CC2)N1
178301686	ZINC000237195390	ref	2.07	-43.01	1	355.866	1.066	2	4	9	COCC[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1
398248922	ZINC000286172065	ref	5.91	-6.95	0	219.284	2.463	1	2	3	C#C[C@@H](C)NC(=O)c1cc(C(C)C)oc1C
178301692	ZINC000237195390	high	0.72	-9.01	0	355.866	1.066	2	5	9	COCCNCC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1
178301695	ZINC000237191661	ref	3.89	-58.29	1	357.432	1.789	2	5	7	COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1
178301698	ZINC000237199978	ref	3.88	-53.26	1	358.46	1.965	2	5	7	COC(=O)c1cc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)oc1C
178301701	ZINC000237199978	high	3.5	-39.88	0	358.46	1.965	1	5	7	COC(=O)c1cc(S(=O)(=O)[N-]CC[NH2+]C2CCCCCC2)oc1C
178301704	ZINC000237181519	ref	0.71	-8.96	0	359.22	1.071	2	5	5	COc1cc(Br)c(CNC(=O)[C@H]2COCCN2)cc1OC
178301707	ZINC000237181519	mid	2.12	-41.29	1	359.22	1.071	2	4	5	COc1cc(Br)c(CNC(=O)[C@H]2COCC[NH2+]2)cc1OC
178301710	ZINC000237186101	ref	6.19	-60.23	1	373.457	1.039	2	5	4	CCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC(C[NH3+])CC3)cc(C(C)C)nc21
398248926	ZINC000286168966	ref	7.58	-40.64	1	219.332	1.789	1	2	5	C#CC(C)(C)[N@@H+](C)CCc1ccnn1CC
365634202	ZINC000354705189	ref	-0.22	-14.32	0	290.327	1.351	3	5	3	COc1nn(C)cc1NC(=O)N[C@H]1CCCc2c[nH]nc21
398248934	ZINC000286168966	mid	7.57	-40.4	1	219.332	1.789	1	2	5	C#CC(C)(C)[N@H+](C)CCc1ccnn1CC
365634204	ZINC000623066208	ref	2.39	-48.71	1	318.377	1.407	3	3	5	CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
365634209	ZINC000623066208	high	0.58	-73.63	0	318.377	1.407	2	3	5	CC(C)[C@@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
214184930	ZINC000337622535	ref	7.92	-6.42	0	266.772	3.391	1	2	3	CN(C)c1ccc(Cl)cc1NC(=O)[C@@H]1CC1(C)C
342595624	ZINC000616963341	ref	3.75	-16.53	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CCCCC1
214184933	ZINC000337622947	ref	1.02	-8.16	0	292.326	0.984	1	4	4	CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1OC(F)F
214184936	ZINC000337621280	ref	3.28	-17.02	0	286.295	0.888	3	5	3	C[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1nc[nH]n1
398248924	ZINC000337238320	ref	4.44	-11.36	0	239.282	1.786	1	5	4	C[C@H](Cc1ccncc1)Nc1cnc(C#N)cn1
398248930	ZINC000069838878	ref	-1.51	-51.82	1	229.324	-0.438	2	3	6	C[C@@H]([NH3+])CCC(=O)NCCN1CCOCC1
187169652	ZINC000125093910	mid	7.69	-38.81	1	250.342	1.97	1	2	5	CC[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccco2)C1
187169653	ZINC000125093910	high	4.86	-8.86	0	250.342	1.97	0	3	5	CC[C@H]1CCN(CC(=O)N(C)Cc2ccco2)C1
197592818	ZINC000162807853	ref	7.41	-37.73	1	300.324	3.262	2	1	5	O=C(C[C@H]1CCC[NH2+]1)Nc1ccccc1CCC(F)(F)F
214184938	ZINC000337621280	mid	3.78	-16.91	0	286.295	0.888	3	5	3	C[C@H](NC(=O)c1ccc2[nH]c(=O)n(C)c2c1)c1nnc[nH]1
342595625	ZINC000616963044	ref	3.09	-18.69	0	276.336	1.482	2	3	5	CC[C@@H](C)Oc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
398248932	ZINC000069838878	low	0.91	-100.03	2	229.324	-0.438	3	2	6	C[C@@H]([NH3+])CCC(=O)NCC[NH+]1CCOCC1
342595626	ZINC000616963319	ref	1.97	-18.8	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(F)c(Cl)c1
398248937	ZINC000390788470	ref	1.21	-39.36	1	212.293	0.28	2	2	2	CC1(C)C[NH2+][C@H]1C(=O)NC1CCOCC1
214184944	ZINC000337620526	ref	2.49	-16.49	0	271.405	2.014	3	2	9	CCCC[C@@H](CC)CNC(=O)NCC(C)(C)C(N)=O
259308271	ZINC000356852599	ref	2.97	-10.1	0	247.294	1.556	2	3	6	C=C[C@@H](CO)NC(=O)c1ccc(C(=O)CC)cc1
214184954	ZINC000337622946	ref	1.01	-8.22	0	292.326	0.984	1	4	4	CN1CCOC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1OC(F)F
342595627	ZINC000616967381	ref	2.54	-18.93	0	292.383	1.38	2	4	3	CC(C)c1cc(C(=O)N[C@H]2CCNC2=O)nn1C(C)(C)C
342595628	ZINC000616966897	ref	2.28	-18.93	0	254.236	1.243	2	2	3	O=C(N[C@H]1CCNC1=O)c1ccc(C(F)F)cc1
342595629	ZINC000616962935	ref	2.54	-17.14	0	282.39	1.083	2	4	2	O=C1NCC[C@H]1NC(=O)[C@@H]1SCCc2sccc21
342595630	ZINC000616966846	ref	3.48	-18.18	0	298.795	1.825	2	3	4	C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
365634206	ZINC000354705189	mid	-0.27	-11.53	0	290.327	1.351	3	5	3	COc1nn(C)cc1NC(=O)N[C@H]1CCCc2cn[nH]c21
197592817	ZINC000290091293	high	2.46	-10.28	0	292.257	1.522	1	4	5	CO[C@H](CN)C(=O)N(C)c1cccc(OC(F)(F)F)c1
365634210	ZINC000354704287	ref	3.5	-15.52	0	298.343	1.234	1	6	6	CCOC(=O)C[C@H](C)N(C)C(=O)Nc1cn(C)nc1OC
365634217	ZINC000354704213	ref	2.31	-16.32	0	292.257	1.768	2	3	6	CC[C@@H](CC(F)(F)F)NC(=O)c1ccoc1CC(N)=O
342595631	ZINC000364816778	ref	7.18	-15.65	0	289.335	1.703	0	4	3	Cc1ccc(N2CCN(C(=O)CC(C)(C)C#N)CC2=O)o1
365634222	ZINC000354703811	ref	7.69	-44.73	1	278.4	1.953	2	4	6	C[C@H](O)CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1
197592820	ZINC000290093226	ref	4.7	-6.41	0	293.313	3.12	2	3	6	COc1cc(CCO)ccc1NCc1cc(F)ccc1F
365634225	ZINC000354703811	mid	8.14	-43.84	1	278.4	1.953	2	4	6	C[C@H](O)CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1
342595632	ZINC000616963342	ref	3.28	-18.35	0	262.284	1.234	2	2	4	O=C(C/C=C\c1ccc(F)cc1)N[C@H]1CCNC1=O
365634230	ZINC000354703811	high	5.91	-10.27	0	278.4	1.953	1	5	6	C[C@H](O)CCCN1CCC[C@@H](c2nncn2C2CC2)C1
365634235	ZINC000457197973	ref	6.92	-55.47	1	271.342	1.726	2	4	5	C[NH+](C)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1
365634239	ZINC000457197973	high	4.97	-11.65	0	271.342	1.726	1	5	5	CN(C)CC(C)(C)NC(=O)c1csc([N+](=O)[O-])c1
365634242	ZINC000354705628	ref	7.52	-40.79	1	288.391	1.954	2	2	7	C[NH+](C)CCOCCNC(=O)c1ccc2c(c1)CCC=C2
197592822	ZINC000290093858	ref	1.73	-9.55	0	297.449	2.847	1	6	6	CCc1cnc(CN(C)Cc2cnc([C@H](C)O)s2)s1
365634249	ZINC000354705628	high	4.97	-9.96	0	288.391	1.954	1	3	7	CN(C)CCOCCNC(=O)c1ccc2c(c1)CCC=C2
282122445	ZINC000106557519	ref	6.87	-51.2	1	332.452	1.217	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C3CCCC3)C1)CC2
365634252	ZINC000354704951	ref	2.28	-10.11	0	296.371	1.85	1	5	4	COc1nn(C)cc1NC(=O)N(C)C1CCC(OC)CC1
342595633	ZINC000616966763	ref	2.49	-16.91	0	258.277	1.36	2	3	2	Cc1cccc2cc(C(=O)N[C@@H]3CCNC3=O)oc12
365634259	ZINC000354705011	ref	6.15	-12.49	0	274.361	1.395	1	4	8	CCOC(=O)CC[C@H](C)NC(=O)N(C)C[C@@H](C)OC
133428403	ZINC000306458215	ref	6.31	-6.94	0	167.237	0.93	0	4	2	CC#CCSc1ncnn1C
365634265	ZINC000457193377	ref	4.3	-14.5	0	273.336	1.888	1	4	3	CC1(C)C[C@@H](CNC(=O)c2ccnc(C#N)c2)CCO1
365634271	ZINC000354703850	ref	3.86	-45.19	1	295.427	1.187	3	2	6	C[C@@H]1CCCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
185088672	ZINC000096073783	mid	6.06	-39.61	1	288.395	1.922	2	4	4	c1cnc(N[C@@H]2CO[C@@]3(CCC[N@H+](CC4CC4)C3)C2)cn1
349534730	ZINC000618814224	ref	5.63	-25.76	0	262.288	1.535	0	4	3	Cc1ccc(F)c(C(=O)N(C)Cc2cn(C)nn2)c1
190493629	ZINC000269434531	ref	5.5	-10.95	0	284.359	2.333	1	3	5	Cc1ccc(C(=O)N(CCO)Cc2cccnc2)cc1C
185088674	ZINC000096073421	ref	4.17	-10.64	0	279.384	1.817	1	4	5	COCC[C@@H]1CO[C@@]2(CCCN(Cc3c[nH]cn3)C2)C1
349534737	ZINC000618812708	ref	6.21	-20.13	0	258.325	1.704	0	4	3	Cc1ccc(C)c(C(=O)N(C)Cc2cn(C)nn2)c1
349534740	ZINC000618813702	ref	7.68	-10.53	0	284.363	1.894	0	4	4	CN(Cc1cn(C)nn1)C(=O)C[C@H]1CCc2ccccc21
187169654	ZINC000125095014	ref	5.95	-10.97	0	283.335	1.998	2	6	5	CC[C@H](O)CNc1ncnc2c1cnn2-c1ccccc1
349534745	ZINC000618812760	ref	6.42	-12.52	0	276.365	1.566	0	5	5	CN(Cc1cn(C)nn1)C(=O)CSc1ccccc1
342595634	ZINC000616962901	ref	3.29	-14.46	0	252.358	1.598	2	2	4	CC(C)CC1(C(=O)N[C@@H]2CCNC2=O)CCCC1
187169655	ZINC000125095014	low	6.35	-40.56	1	283.335	1.998	2	5	5	CC[C@H](O)CNc1[nH+]cnc2c1cnn2-c1ccccc1
185088676	ZINC000096073421	mid	6.62	-35.2	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@@]2(CCC[N@H+](Cc3c[nH]cn3)C2)C1
185088678	ZINC000096073421	mid	6.46	-35.01	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3c[nH]cn3)C2)C1
187169656	ZINC000125100910	ref	4.57	-12.81	0	258.724	2.045	1	2	4	C[C@@H](NCc1cccc(Cl)c1F)C(=O)N(C)C
187169657	ZINC000125100910	mid	5.73	-42.55	1	258.724	2.045	1	1	4	C[C@@H]([NH2+]Cc1cccc(Cl)c1F)C(=O)N(C)C
185088680	ZINC000096073421	mid	6.26	-41.9	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@@]2(CCC[N@H+](Cc3cnc[nH]3)C2)C1
342595635	ZINC000616963106	ref	3.69	-23.67	0	296.754	1.502	2	3	5	CC[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
185088682	ZINC000096073421	mid	6.77	-41.29	1	279.384	1.817	2	3	5	COCC[C@@H]1CO[C@@]2(CCC[N@@H+](Cc3cnc[nH]3)C2)C1
187169658	ZINC000125100954	ref	0.42	-11.7	0	254.315	0.147	2	5	3	CCNc1ncc(C(=O)N2CCNC(=O)C2)s1
187169659	ZINC000125093145	ref	0.98	-13.25	0	280.328	0.348	2	5	4	Cn1cc([C@]2(C)NC(=O)N(CCC(C)(C)O)C2=O)cn1
187169660	ZINC000125091545	ref	-1.16	-9.34	0	259.331	1.182	3	5	5	COCc1csc(NC(=O)NC(C)(C)CO)n1
187169661	ZINC000125095454	ref	3.03	-9.65	0	291.342	0.699	1	3	5	CC[C@@H]1CN(C(=O)[C@@H](C)NC(C)=O)CCN1CC(F)F
212167041	ZINC000275168493	ref	2.34	-9.92	0	312.238	1.951	2	3	6	NCC(F)(F)CNC(=O)c1ccc(OCC(F)(F)F)cc1
187169662	ZINC000125093823	ref	5.84	-20.72	0	270.336	2.004	1	4	4	CC1(NC(=O)Cn2cc(-c3ccccc3)nn2)CCC1
365634211	ZINC000274353858	mid	3.92	-39.16	1	297.424	1.372	2	3	3	C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(N)c2)CC[N@H+]1C
187169663	ZINC000125092283	ref	7.01	-50.87	1	262.328	1.749	1	1	2	C[C@@H]1C[NH2+]CCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
342595636	ZINC000616967510	ref	3.89	-21.49	0	276.336	1.193	2	3	5	CC(C)c1cccc(OCC(=O)N[C@H]2CCNC2=O)c1
214184934	ZINC000053491885	ref	6.05	-13.32	0	348.809	3.224	1	3	3	O=C(Nc1cccnc1)N1CCN(Cc2c(F)cccc2Cl)CC1
214184939	ZINC000053476914	ref	8.74	-12.97	0	344.455	3.437	1	3	2	CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H]2CCc3ccccc32)CC1
342595637	ZINC000616963338	ref	3.73	-15.41	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1C1CCCCC1
282122446	ZINC000331775062	high	3.91	-10.1	0	323.437	0.567	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@H]32)CCO1
282122449	ZINC000335168029	ref	7.07	-38.32	1	266.385	1.666	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2=CCCCCC2)CCO1
398248939	ZINC000286168966	high	5.36	-6.12	0	219.332	1.789	0	3	5	C#CC(C)(C)N(C)CCc1ccnn1CC
365634214	ZINC000274353858	mid	1.63	-8.99	0	297.424	1.372	1	4	3	C[C@@H]1C[C@@H](N(C)S(=O)(=O)c2cccc(N)c2)CCN1C
365634218	ZINC000274352718	ref	4.72	-14.01	0	259.313	1.398	1	5	4	Cc1nn(C)c(C)c1CCC(=O)Nc1cncnc1
197592835	ZINC000162805877	ref	10.23	-20.78	0	308.744	2.588	1	4	3	O=C(Cc1c(F)cccc1Cl)Nc1nnc2n1CCCC2
197592836	ZINC000162800707	ref	4.19	-13.23	0	322.405	2.68	2	4	5	Cc1nc(CC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c(C)s1
342595638	ZINC000616966807	ref	2.31	-19.33	0	294.376	1.18	2	4	5	COc1ccc(S[C@@H](C)C(=O)N[C@H]2CCNC2=O)cc1
342595639	ZINC000194473518	ref	1.63	-12.2	0	259.252	1.441	2	3	6	C[C@H](O)CNC(=O)c1ccc(OCC(F)F)cc1
365634224	ZINC000274355874	ref	1.15	-11.12	0	296.676	1.906	3	2	5	O=C(NCc1c(F)cccc1Cl)NCC(F)(F)CO
365634234	ZINC000274356405	ref	3.27	-8.7	0	254.355	1.83	1	3	4	CC(C)N(C1CC1)S(=O)(=O)c1cccc(N)c1
282122451	ZINC000335168029	high	4.53	-8.25	0	266.385	1.666	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2=CCCCCC2)CCO1
365634241	ZINC000274353439	ref	3.81	-42.45	1	279.388	1.249	4	2	5	Cc1n[nH]cc1CNC(=O)NCCC1CC[NH+](C)CC1
398248943	ZINC000286151212	ref	9.91	-32.68	1	211.308	2.382	1	0	2	C#CC(C)(C)[N@H+](C)CC#Cc1ccccc1
398248949	ZINC000286151212	mid	9.9	-32.43	1	211.308	2.382	1	0	2	C#CC(C)(C)[N@@H+](C)CC#Cc1ccccc1
398248940	ZINC000390788470	high	-0.29	-9.13	0	212.293	0.28	2	3	2	CC1(C)CN[C@H]1C(=O)NC1CCOCC1
398248945	ZINC000313447730	ref	7.37	-31.89	1	227.392	3.36	1	1	8	CCC[C@H]([NH2+][C@H](C)COCC)C1CCCC1
398248947	ZINC000647170610	ref	6.0	-42.08	1	249.354	2.49	1	2	6	CCOCc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)cc1
398248951	ZINC000647170610	high	4.86	-4.59	0	249.354	2.49	1	3	6	CCOCc1ccc(CN[C@H]2CO[C@@H](C)C2)cc1
398248956	ZINC000650439967	ref	4.99	-12.51	0	233.283	2.832	1	2	4	Cc1cc(C(=O)NCCC(C)(F)F)cs1
190493634	ZINC000269432059	ref	5.78	-8.54	0	295.398	3.436	2	2	6	CC(C)CC(C)(C)C(=O)N[C@H](C)[C@@H](O)c1cccc(F)c1
398248961	ZINC000647170591	ref	1.46	-48.56	1	249.314	1.444	3	2	4	C[C@H]1C[C@@H]([NH2+]Cc2ccc(NC(N)=O)cc2)CO1
187169664	ZINC000125092283	mid	5.68	-7.7	0	262.328	1.749	1	2	2	C[C@@H]1CNCCN1C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
365634215	ZINC000623065264	ref	6.37	-46.16	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1
342595640	ZINC000616967509	ref	3.89	-21.49	0	276.336	1.193	2	3	5	CC(C)c1cccc(OCC(=O)N[C@@H]2CCNC2=O)c1
398248963	ZINC000647170591	high	0.24	-10.45	0	249.314	1.444	3	3	4	C[C@H]1C[C@@H](NCc2ccc(NC(N)=O)cc2)CO1
365634221	ZINC000623066166	ref	6.02	-60.57	1	314.393	1.621	3	4	5	C[NH2+][C@H](C)CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
398248965	ZINC000313447731	ref	6.99	-33.2	1	227.392	3.36	1	1	8	CCC[C@@H]([NH2+][C@H](C)COCC)C1CCCC1
398248969	ZINC000076870260	ref	2.55	-42.39	1	246.31	1.389	3	2	5	C[C@@H](O)CC[NH2+]Cc1cc2ccccc2[nH]c1=O
398248973	ZINC000076870260	high	1.19	-9.75	0	246.31	1.389	3	3	5	C[C@@H](O)CCNCc1cc2ccccc2[nH]c1=O
306234652	ZINC000557918837	ref	4.59	-56.05	1	345.509	1.231	3	3	5	C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)CC1
398248977	ZINC000069838818	ref	4.48	-93.64	2	227.352	0.666	2	1	4	C[C@@H]([NH3+])CCC(=O)N(C)C1CC[NH+](C)CC1
398248980	ZINC000069838818	high	2.11	-50.46	1	227.352	0.666	1	2	4	C[C@@H]([NH3+])CCC(=O)N(C)C1CCN(C)CC1
342595641	ZINC000616967351	ref	2.24	-16.4	0	282.727	1.114	2	3	5	O=C(CCOc1cccc(Cl)c1)N[C@@H]1CCNC1=O
398248987	ZINC000069838817	ref	4.49	-93.87	2	227.352	0.666	2	1	4	C[C@H]([NH3+])CCC(=O)N(C)C1CC[NH+](C)CC1
398248991	ZINC000069838817	high	2.12	-50.78	1	227.352	0.666	1	2	4	C[C@H]([NH3+])CCC(=O)N(C)C1CCN(C)CC1
398249445	ZINC000370236413	high	6.0	-12.4	0	220.32	1.81	1	4	3	Cc1nnc2n1CCC[C@H]2N[C@@H](C)C1CC1
398249450	ZINC000370114690	ref	8.83	-38.07	1	235.396	3.414	1	1	5	C[C@H]([NH2+]C[C@H]1C[C@]1(C)c1cccs1)C1CC1
398249456	ZINC000370236415	ref	6.95	-39.44	1	220.32	1.81	1	3	3	Cc1nnc2n1CCC[C@@H]2[NH2+][C@@H](C)C1CC1
197592834	ZINC000290093366	ref	7.08	-8.9	0	291.347	2.113	0	4	3	CCOC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1
365634216	ZINC000172891678	ref	2.53	-8.76	0	276.333	1.831	1	3	5	CC(C)Oc1ccc(F)cc1NS(=O)(=O)N(C)C
365634223	ZINC000172891678	high	2.59	-45.83	-1	276.333	1.831	0	3	5	CC(C)Oc1ccc(F)cc1[N-]S(=O)(=O)N(C)C
365634229	ZINC000565363240	ref	3.08	-11.61	0	297.362	1.443	3	6	5	N#Cc1cnn2c1NC[C@@H](CNc1cccc(CCO)c1)C2
365634245	ZINC000172888234	ref	2.54	-8.08	0	279.336	1.305	0	5	4	COC[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCO1
342595642	ZINC000616962944	ref	5.1	-18.55	0	284.359	1.285	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@]12CCCc1ccccc12
282122447	ZINC000106557519	mid	6.71	-50.64	1	332.452	1.217	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CC[N@H+](C3CCCC3)C1)CC2
282122448	ZINC000333648519	ref	6.47	-22.04	0	340.387	1.637	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccc3c(n1)CCCC3=O)CC2
185088683	ZINC000096073421	high	4.43	-9.33	0	279.384	1.817	1	4	5	COCC[C@@H]1CO[C@@]2(CCCN(Cc3cnc[nH]3)C2)C1
282122450	ZINC000155345201	ref	3.4	-53.86	1	265.361	0.391	2	4	4	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)CC2
342595643	ZINC000616966844	ref	3.48	-20.68	0	298.795	1.825	2	3	4	C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
365634251	ZINC000172888234	low	5.01	-44.09	1	279.336	1.305	1	4	4	COC[C@@H]1C[N@H+](Cc2ccc3c(c2)OCCO3)CCO1
365634255	ZINC000172888234	low	4.97	-44.07	1	279.336	1.305	1	4	4	COC[C@@H]1C[N@@H+](Cc2ccc3c(c2)OCCO3)CCO1
365634261	ZINC000565363085	ref	6.06	-51.91	1	289.383	1.297	2	5	5	C[N@H+](CC[C@@H]1CCCO1)C[C@H]1CNc2c(C#N)cnn2C1
365634266	ZINC000565363085	mid	6.08	-52.47	1	289.383	1.297	2	5	5	C[N@@H+](CC[C@@H]1CCCO1)C[C@H]1CNc2c(C#N)cnn2C1
342595644	ZINC000616963039	ref	4.19	-18.91	0	296.754	1.747	2	3	5	CCCOc1ccc(Cl)cc1C(=O)N[C@H]1CCNC1=O
342595645	ZINC000616963047	ref	2.59	-16.75	0	270.691	1.026	2	2	3	O=C(Cc1ccc(F)cc1Cl)N[C@@H]1CCNC1=O
230744861	ZINC000425613643	ref	5.89	-16.27	0	302.33	2.384	0	5	5	COc1ccnc(N(C)C(=O)c2ccc(OC)c(OC)c2)c1
365634275	ZINC000172889612	ref	2.51	-10.31	0	268.342	1.274	1	4	4	CCn1ncc2ccc(NS(=O)(=O)N(C)C)cc21
295666282	ZINC000412987690	ref	4.03	-5.69	0	316.224	2.829	2	4	4	CC(C)[C@H](O)CSc1nc2cc(Br)cnc2[nH]1
342595646	ZINC000616963336	ref	4.26	-20.49	0	278.327	1.399	2	2	5	C[C@H](CCc1ccccc1F)C(=O)N[C@H]1CCNC1=O
365639435	ZINC000641608738	ref	3.14	-6.22	0	250.346	1.482	2	4	4	CC(C)(C)C(C)(C)CNc1cc(C(N)=O)ncn1
178301666	ZINC000061828759	ref	7.54	-52.7	-1	246.31	2.833	1	3	4	Cc1cc2nc(C[C@H](C)CC(=O)[O-])[nH]c2cc1C
178301668	ZINC000061828759	low	8.14	-49.45	0	246.31	2.833	1	2	4	Cc1cc2[nH]c(C[C@H](C)CC(=O)[O-])[nH+]c2cc1C
214184943	ZINC000053473573	ref	8.99	-9.46	0	332.419	3.079	0	2	3	CN(C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CCCC1
214184947	ZINC000053474982	ref	4.86	-9.5	0	345.468	2.563	1	5	5	Cc1nc(C)c(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)s1
214184952	ZINC000053486303	ref	6.82	-11.33	0	342.464	3.499	1	4	4	O=C(NC[C@@H]1CCOC1)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1
187169666	ZINC000125095864	ref	6.63	-9.93	0	267.756	3.221	0	2	3	CC[C@@H]1CCN(C(=O)c2ccc(Cl)c(OC)c2)C1
185088687	ZINC000096073088	ref	6.62	-34.62	1	291.395	1.96	2	3	5	c1cc(C[NH+]2CCC3(CC2)C[C@H](OCC2CC2)CO3)n[nH]1
214184956	ZINC000053486506	ref	3.09	-17.99	0	328.372	0.836	2	5	5	Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@@H]1CCOC1
342078856	ZINC000625296567	ref	9.21	-48.9	1	299.378	1.15	2	4	4	C[N@@H+]1CCC[C@H](NC(=O)c2cccc(Cn3cncn3)c2)C1
214184963	ZINC000053486506	mid	2.13	-53.95	-1	328.372	0.836	1	5	5	Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@@H]1CCOC1
178301676	ZINC000013118304	ref	6.22	-9.05	0	225.251	2.41	1	3	1	Cc1cc2[nH]c(=O)cc(-c3ccccc3)n2n1
398248953	ZINC000286151212	mid	7.66	-5.64	0	211.308	2.382	0	1	2	C#CC(C)(C)N(C)CC#Cc1ccccc1
398248958	ZINC000286154302	ref	-0.59	-5.79	0	213.277	0.201	3	3	6	C=CC[C@@H](CO)NC(=O)[C@](C)(O)C1CC1
398248968	ZINC000639101960	ref	5.36	-35.07	1	239.388	1.915	1	3	3	CC(C)[C@H]1CN(Cc2ccns2)CC[N@@H+]1C
214184969	ZINC000053479771	ref	7.5	-17.56	0	345.418	3.076	2	2	5	CCCCNC(=O)C1CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1
214184973	ZINC000053478137	ref	5.55	-17.47	0	349.818	1.478	2	3	3	O=C1NCCCC[C@H]1NC(=O)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
398248982	ZINC000639101960	mid	5.05	-35.49	1	239.388	1.915	1	3	3	CC(C)[C@H]1CN(Cc2ccns2)CC[N@H+]1C
214184977	ZINC000053482373	ref	6.65	-18.51	0	344.436	3.368	1	4	6	C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(C(N)=O)cs2)C2CC2)o1
398248985	ZINC000639101960	mid	3.51	-3.95	0	239.388	1.915	0	4	3	CC(C)[C@H]1CN(Cc2ccns2)CCN1C
178301697	ZINC000075415070	ref	9.93	-26.22	1	231.343	3.281	1	2	3	Cc1cc2[nH+]c(N)n(CCC(C)C)c2cc1C
178301700	ZINC000075415070	high	9.46	-8.7	0	231.343	3.281	1	3	3	Cc1cc2nc(N)n(CCC(C)C)c2cc1C
178301706	ZINC000077254369	ref	5.05	-6.54	0	226.077	1.987	1	3	0	Cc1cc2nc(N)cn2cc1Br
185088689	ZINC000096073088	mid	4.37	-7.21	0	291.395	1.96	1	4	5	c1cc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)n[nH]1
187169667	ZINC000125096883	ref	0.08	-13.57	0	299.396	0.563	1	5	3	Cc1ccc(O)c(CN2CCCN(S(C)(=O)=O)CC2)n1
185088691	ZINC000096072228	ref	1.7	-9.85	0	277.32	1.412	1	4	2	CO[C@H]1CO[C@@]2(CCN(C(=O)c3cccc(O)c3)C2)C1
342595647	ZINC000616966816	ref	3.36	-24.38	0	297.358	1.399	2	3	3	Cc1nc2ccccc2c(C)c1CC(=O)N[C@H]1CCNC1=O
185088693	ZINC000096072228	high	2.46	-45.67	-1	277.32	1.412	0	4	2	CO[C@H]1CO[C@@]2(CCN(C(=O)c3cccc([O-])c3)C2)C1
185088695	ZINC000096074687	ref	1.79	-44.59	1	267.398	1.406	1	4	2	Cc1nc(CN2CCOCC23CC[NH2+]CC3)cs1
185386258	ZINC000096747865	high	6.43	-39.7	-1	311.765	3.892	0	2	4	O=S(=O)(/C=C\c1ccccc1)[N-]c1ccc(Cl)cc1F
185088699	ZINC000096072470	ref	4.39	-10.16	0	298.346	1.688	0	6	3	c1cncc(O[C@H]2CO[C@@]3(CCN(c4cnccn4)C3)C2)c1
299072188	ZINC000567664971	ref	5.4	-46.27	1	278.4	2.385	2	3	5	CC(C)CCn1nccc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1
343994980	ZINC000634728529	ref	0.12	-39.18	1	231.336	0.523	3	3	7	CC(C)COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O
187169668	ZINC000125096883	mid	2.11	-38.67	1	299.396	0.563	2	4	3	Cc1ccc(O)c(C[N@@H+]2CCCN(S(C)(=O)=O)CC2)n1
168364753	ZINC000368497906	mid	5.03	-9.53	0	333.482	3.018	2	5	5	O=C1CC[C@H](NCc2csc(-c3ccsc3)n2)[C@H](C2CC2)N1
168364755	ZINC000368498460	ref	8.1	-12.63	0	341.835	3.109	0	4	8	CCOC(CC(=O)N1CC[C@@H](Oc2ccccc2Cl)C1)OCC
365634227	ZINC000623065304	ref	5.11	-55.86	1	300.362	1.137	2	3	3	CCC[C@@H]1C[NH2+]CCN1C(=O)c1nc2ccccc2c(=O)[nH]1
185088705	ZINC000096074620	ref	2.18	-34.42	1	294.399	0.723	2	4	5	COCC[N@@H+]1CCOCC12CCN(Cc1cc[nH]n1)CC2
185088707	ZINC000096074620	mid	1.84	-33.57	1	294.399	0.723	2	4	5	COCC[N@H+]1CCOCC12CCN(Cc1cc[nH]n1)CC2
185088709	ZINC000096074620	mid	2.08	-37.38	1	294.399	0.723	2	4	5	COCCN1CCOCC12CC[NH+](Cc1cc[nH]n1)CC2
168366066	ZINC000049584759	ref	5.28	-42.65	1	174.247	1.988	1	1	2	C[C@@H]([NH3+])Cn1ccc2ccccc21
185088710	ZINC000096074620	high	-0.32	-7.24	0	294.399	0.723	1	5	5	COCCN1CCOCC12CCN(Cc1cc[nH]n1)CC2
295666838	ZINC000151349761	ref	5.22	-8.09	0	298.452	2.673	2	3	3	O=C(NC[C@@H]1CCCS1)N[C@@H]1CCOC2(CCCC2)C1
342595648	ZINC000616962885	ref	3.84	-21.55	0	276.336	1.157	2	3	5	CC[C@@H](Oc1cccc(C)c1)C(=O)N[C@H]1CCNC1=O
342595649	ZINC000616967348	ref	2.59	-18.62	0	278.274	1.36	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@@H]1CCC[C@H](C(F)(F)F)C1
365634231	ZINC000623065304	mid	4.04	-75.81	0	300.362	1.137	1	3	3	CCC[C@@H]1C[NH2+]CCN1C(=O)c1nc2ccccc2c(=O)[n-]1
365634233	ZINC000623065304	high	2.7	-49.06	-1	300.362	1.137	1	4	3	CCC[C@@H]1CNCCN1C(=O)c1nc2ccccc2c(=O)[n-]1
365634238	ZINC000623066243	ref	2.8	-50.38	1	311.407	1.306	2	3	4	C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
365634243	ZINC000623066029	ref	1.33	-61.35	1	311.407	1.435	2	3	2	CC1([NH3+])CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1
365634250	ZINC000623065538	ref	3.35	-99.89	2	306.41	1.066	4	2	4	C[NH+](C)Cc1cccc(NC(=O)N2CCC(O)(C[NH3+])CC2)c1
282122452	ZINC000155345201	high	2.76	-13.5	0	265.361	0.391	2	5	4	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](N)CC(C)C)CC2
365634254	ZINC000623065538	high	0.86	-55.83	1	306.41	1.066	3	3	4	CN(C)Cc1cccc(NC(=O)N2CCC(O)(C[NH3+])CC2)c1
365634260	ZINC000623065849	ref	4.14	-39.38	1	304.213	1.728	1	3	1	C[C@H]1CN(C(=O)c2ncc(Br)s2)C[C@@H](C)[NH2+]1
342595650	ZINC000616963063	ref	2.82	-27.03	0	269.304	1.162	2	3	2	Cc1ccc2cccc(C(=O)N[C@H]3CCNC3=O)c2n1
365634263	ZINC000623065849	mid	2.91	-4.43	0	304.213	1.728	1	4	1	C[C@H]1CN(C(=O)c2ncc(Br)s2)C[C@@H](C)N1
214184945	ZINC000278484793	mid	6.5	-38.88	1	321.49	2.414	2	3	6	CN(C)Cc1ccsc1C(=O)NCC1CC[NH+](C2CC2)CC1
365634268	ZINC000623066093	ref	2.81	-41.48	1	304.213	1.776	2	3	2	C[C@H]1C[C@H](NC(=O)c2ncc(Br)s2)CC[NH2+]1
187169669	ZINC000125096883	mid	1.83	-48.0	1	299.396	0.563	2	4	3	Cc1ccc(O)c(C[N@H+]2CCCN(S(C)(=O)=O)CC2)n1
187169670	ZINC000125096883	high	0.72	-57.69	-1	299.396	0.563	0	5	3	Cc1ccc([O-])c(CN2CCCN(S(C)(=O)=O)CC2)n1
365634272	ZINC000623066244	ref	2.86	-49.3	1	311.407	1.306	2	3	4	C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
342595651	ZINC000616962945	ref	4.98	-16.07	0	284.359	1.285	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@]12CCCc1ccccc12
214184949	ZINC000278485648	ref	6.9	-13.84	0	318.417	2.728	1	4	3	Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CCC(C)(C)O1
365634278	ZINC000623066492	ref	4.05	-41.51	1	313.199	1.454	2	3	5	C[NH2+][C@@H](C)CNC(=O)c1nc(C2CC2)ncc1Br
365634286	ZINC000623065460	ref	2.42	-61.79	1	306.391	1.614	3	4	2	[NH3+]CC1(O)CCN(C(=O)Nc2nc3ccccc3s2)CC1
365634291	ZINC000623065485	ref	0.44	-47.05	1	311.794	1.26	3	4	3	O=C(NC[C@H]1C[NH2+]C[C@@H]1O)c1nc2cc(Cl)ccc2s1
262839520	ZINC000035136851	ref	7.75	-33.58	1	221.344	3.899	1	1	4	CCC1CCC([NH2+][C@@H](C)c2ccco2)CC1
365634297	ZINC000623066491	ref	4.06	-41.63	1	313.199	1.454	2	3	5	C[NH2+][C@H](C)CNC(=O)c1nc(C2CC2)ncc1Br
398248954	ZINC000367282785	mid	3.58	-37.83	1	239.702	2.152	1	2	2	Clc1cccc2c1[C@@H]([NH2+][C@H]1CCOC1)CO2
398248960	ZINC000366749658	ref	7.57	-51.54	1	239.388	1.788	1	3	6	CCSCC[NH2+]C[C@@H]1CCn2ccnc2C1
398248971	ZINC000366749658	mid	8.03	-99.08	2	239.388	1.788	1	2	6	CCSCC[NH2+]C[C@@H]1CCn2cc[nH+]c2C1
342078857	ZINC000625296567	mid	9.74	-51.18	1	299.378	1.15	2	4	4	C[N@H+]1CCC[C@H](NC(=O)c2cccc(Cn3cncn3)c2)C1
365634232	ZINC000641601097	ref	0.87	-7.07	0	250.342	1.563	2	4	5	CCC[C@]1(CO)CCN(c2cc(CO)ccn2)C1
398248975	ZINC000366749659	ref	7.57	-51.53	1	239.388	1.788	1	3	6	CCSCC[NH2+]C[C@H]1CCn2ccnc2C1
398248979	ZINC000366749659	mid	8.03	-99.07	2	239.388	1.788	1	2	6	CCSCC[NH2+]C[C@H]1CCn2cc[nH+]c2C1
214184946	ZINC000293576855	ref	5.47	-13.64	0	363.447	0.986	1	8	4	Cc1nnsc1CNC(=O)N1CCO[C@@H](c2ccnc(N(C)C)n2)C1
398248984	ZINC000366683172	ref	5.29	-33.86	1	227.348	2.101	1	2	5	CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC)[C@]12CCCO2
398248986	ZINC000367094111	ref	3.38	-38.93	1	227.348	1.696	2	2	5	C[C@H](O)CCC[NH2+][C@H]1CCC12CCOCC2
282122453	ZINC000116796385	ref	6.6	-38.27	1	254.374	1.356	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CCCCC2)CCO1
342078858	ZINC000625296567	mid	6.85	-14.23	0	299.378	1.15	1	5	4	CN1CCC[C@H](NC(=O)c2cccc(Cn3cncn3)c2)C1
398248994	ZINC000366735311	ref	1.44	-42.95	-1	229.232	-0.475	1	5	1	O=C([O-])C(=O)N[C@@H]1CCO[C@@]2(CCOC2)C1
398249002	ZINC000367212506	ref	6.17	-29.18	1	242.363	1.162	1	3	5	COC(CN(C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C)OC
398249008	ZINC000367212506	mid	6.48	-28.87	1	242.363	1.162	1	3	5	COC(CN(C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C)OC
178301693	ZINC000082796559	ref	4.56	-49.03	1	262.309	0.551	2	3	3	COC(=O)[C@@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21
178301696	ZINC000082796559	high	3.08	-8.3	0	262.309	0.551	2	4	3	COC(=O)[C@@H](C)NC(=O)[C@@H]1CNCc2ccccc21
178301699	ZINC000082797977	ref	-0.06	-44.6	1	259.4	1.525	2	4	5	Cc1csc(S[C@@H](C)C[C@](C)([NH3+])C(N)=O)n1
282122457	ZINC000116796385	high	4.05	-7.81	0	254.374	1.356	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2CCCCC2)CCO1
214184950	ZINC000293578410	ref	8.0	-43.54	1	362.449	0.931	2	3	6	C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3F)C2)CC1=O
178301702	ZINC000082797977	high	0.06	-9.95	0	259.4	1.525	2	5	5	Cc1csc(S[C@@H](C)C[C@](C)(N)C(N)=O)n1
398249013	ZINC000367212506	mid	6.7	-88.46	2	242.363	1.162	2	2	5	COC(C[N@H+](C)C1C[C@@H]2CC[C@H](C1)[NH+]2C)OC
398249017	ZINC000367212506	mid	6.71	-88.45	2	242.363	1.162	2	2	5	COC(C[N@@H+](C)C1C[C@@H]2CC[C@H](C1)[NH+]2C)OC
398249019	ZINC000367212506	mid	6.39	-88.48	2	242.363	1.162	2	2	5	COC(C[NH+](C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C)OC
343993878	ZINC000599270302	mid	5.55	-42.72	1	252.358	1.542	2	3	6	C[N@H+](C[C@@H]1CCCCO1)C[C@H](O)CC1(C#N)CC1
342078859	ZINC000625296492	ref	7.76	-42.48	1	268.401	1.792	2	2	8	CCO[C@H](C(=O)NCC[N@H+](C)C1CCCC1)C1CC1
185088714	ZINC000096074583	ref	1.19	-9.48	0	276.34	0.413	0	5	1	CN1CCOCC12CCN(C(=O)c1cnccn1)CC2
343993881	ZINC000599270302	high	3.11	-10.95	0	252.358	1.542	1	4	6	CN(C[C@@H]1CCCCO1)C[C@H](O)CC1(C#N)CC1
343993882	ZINC000248507187	ref	4.95	-13.0	0	283.393	1.934	0	3	4	Cc1ccc(CN(C)S(=O)(=O)[C@@H]2CCO[C@H]2C)cc1
343993888	ZINC000599270455	ref	8.96	-43.35	1	271.357	1.605	1	4	7	COC(=O)CCCC[NH+]1CCC(CC(=O)OC)CC1
365634236	ZINC000641601097	low	0.98	-31.88	1	250.342	1.563	2	3	5	CCC[C@]1(CO)CCN(c2cc(CO)cc[nH+]2)C1
365634240	ZINC000641599392	ref	0.14	-12.14	0	275.374	1.393	1	4	6	CCN(C)S(=O)(=O)NCc1oc(C(C)C)nc1C
365634247	ZINC000641601820	ref	4.49	-10.67	0	265.361	1.316	1	4	3	CCNC(=O)N1CCC(n2cc(N(C)C)cn2)CC1
187169671	ZINC000125097984	ref	4.39	-15.31	0	281.315	2.455	2	3	2	Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cn1
365634257	ZINC000641599011	ref	-0.35	-13.14	0	299.352	1.881	1	6	5	Cc1nocc1S(=O)(=O)NCc1oc(C(C)C)nc1C
365634264	ZINC000641599011	high	-0.42	-39.32	-1	299.352	1.881	0	6	5	Cc1nocc1S(=O)(=O)[N-]Cc1oc(C(C)C)nc1C
365634269	ZINC000641601805	ref	2.45	-7.5	0	256.256	1.057	1	4	2	C[C@H]1CN(c2cc(C(N)=O)ncn2)CCC1(F)F
365634274	ZINC000641601474	ref	5.57	-46.02	1	275.356	1.293	3	4	5	CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365634282	ZINC000641601474	mid	5.86	-45.68	1	275.356	1.293	3	4	5	CC(C)[N@H+](C)C[C@@H](C)Nc1ccc2nc[nH]c(=O)c2n1
342078860	ZINC000625296492	mid	7.75	-42.72	1	268.401	1.792	2	2	8	CCO[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)C1CC1
365634287	ZINC000641601292	ref	4.01	-11.64	0	253.248	1.101	1	2	2	O=C(Cc1ccc(F)cc1F)N1C[C@H]2C[C@@]2(O)C1
365634293	ZINC000641600856	ref	6.01	-39.53	1	265.405	1.105	1	4	8	Cc1cncnc1N(C)CCC[N@@H+](C)CCN(C)C
365634298	ZINC000641600856	mid	6.0	-39.57	1	265.405	1.105	1	4	8	Cc1cncnc1N(C)CCC[N@H+](C)CCN(C)C
365634302	ZINC000641600856	mid	6.15	-36.86	1	265.405	1.105	1	4	8	Cc1cncnc1N(C)CCCN(C)CC[NH+](C)C
365634308	ZINC000641599292	ref	-0.9	-16.66	0	288.369	1.315	1	5	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)[C@@H]1CCOC1
342078861	ZINC000625296516	ref	5.52	-41.11	1	252.28	1.785	2	1	3	C[C@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)C(F)(F)F
342078862	ZINC000625296516	mid	6.05	-42.95	1	252.28	1.785	2	1	3	C[C@H](CC(=O)N[C@@H]1CCC[N@@H+](C)C1)C(F)(F)F
342078863	ZINC000625296516	high	3.16	-6.42	0	252.28	1.785	1	2	3	C[C@H](CC(=O)N[C@@H]1CCCN(C)C1)C(F)(F)F
342078864	ZINC000625296514	ref	5.52	-41.29	1	252.28	1.785	2	1	3	C[C@@H](CC(=O)N[C@@H]1CCC[N@H+](C)C1)C(F)(F)F
365634237	ZINC000123020079	ref	8.3	-38.85	1	292.423	2.032	1	2	2	O=C(C[N@@H+]1CCC2(CCC2)C1)N1CCO[C@@H]2CCCC[C@@H]21
342078865	ZINC000625296514	mid	6.05	-43.1	1	252.28	1.785	2	1	3	C[C@@H](CC(=O)N[C@@H]1CCC[N@@H+](C)C1)C(F)(F)F
214184957	ZINC000278485020	ref	2.99	-20.39	0	323.386	1.496	0	3	2	C[C@@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC[S@]1=O
214184959	ZINC000278486117	ref	7.67	-19.57	0	322.405	1.641	1	5	7	CCOC(=O)C[C@](C)(NC(=O)Cn1ccc(C)cc1=O)C(C)C
214184961	ZINC000278485705	ref	8.28	-16.65	0	314.41	2.929	0	3	2	CC(=O)N(C)c1ccc(C(=O)N2CCc3sccc3C2)cc1
214184966	ZINC000278484801	ref	6.52	-55.68	1	319.405	2.419	1	4	6	Cc1c([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-]
214184968	ZINC000278484801	high	6.21	-7.23	0	319.405	2.419	1	5	6	Cc1c([C@H](C)NCC2(N3CCOCC3)CC2)cccc1[N+](=O)[O-]
214184972	ZINC000278486565	ref	9.16	-8.08	0	311.36	3.449	0	4	3	Cc1cnccc1OC1CCN(c2ccc(C#N)cc2F)CC1
214184975	ZINC000278486565	mid	9.62	-38.13	1	311.36	3.449	0	3	3	Cc1c[nH+]ccc1OC1CCN(c2ccc(C#N)cc2F)CC1
168364761	ZINC000309992060	ref	7.07	-38.37	1	225.376	2.971	1	1	5	CCC(CC)C[NH2+][C@H]1CCC12CCOCC2
214184979	ZINC000278486504	ref	8.51	-9.39	0	321.373	3.317	0	5	6	COC[C@H](OC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)c1nccs1
214184983	ZINC000278484915	ref	6.77	-38.77	1	305.451	2.505	1	5	4	Cc1nc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cs1
342078866	ZINC000625296514	high	3.16	-6.39	0	252.28	1.785	1	2	3	C[C@@H](CC(=O)N[C@@H]1CCCN(C)C1)C(F)(F)F
214184987	ZINC000278484915	mid	5.76	-6.48	0	305.451	2.505	1	6	4	Cc1nc([C@H](C)N[C@H]2CCCN(c3ccnn3C)C2)cs1
214184989	ZINC000278486188	ref	3.25	-45.98	-1	315.772	2.952	1	3	4	C[C@@]1(CCCO)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1
178301713	ZINC000082796535	ref	5.68	-94.01	2	261.369	0.941	3	1	5	C[NH+](C)CCCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21
214184993	ZINC000278486188	low	2.47	-10.49	0	315.772	2.952	2	3	4	C[C@@]1(CCCO)CCCN1C(=O)c1cc(F)c(O)c(Cl)c1
214184997	ZINC000278485352	ref	9.99	-40.22	1	308.516	3.4	2	3	5	c1cc(C[NH+]2CCSCC2)cc(NC[C@H]2CCSC2)c1
214184999	ZINC000278485352	high	7.69	-4.96	0	308.516	3.4	1	4	5	c1cc(CN2CCSCC2)cc(NC[C@H]2CCSC2)c1
342078867	ZINC000625297111	ref	1.8	-15.28	0	281.337	1.035	2	4	6	COCc1cccc(S(=O)(=O)NCc2c[nH]cn2)c1
185088716	ZINC000096074583	mid	3.44	-42.34	1	276.34	0.413	1	4	1	C[N@@H+]1CCOCC12CCN(C(=O)c1cnccn1)CC2
185088718	ZINC000096074583	mid	3.44	-43.29	1	276.34	0.413	1	4	1	C[N@H+]1CCOCC12CCN(C(=O)c1cnccn1)CC2
178301711	ZINC000077254369	low	5.53	-25.74	1	226.077	1.987	1	2	0	Cc1cc2[nH+]c(N)cn2cc1Br
365634244	ZINC000123020079	mid	5.66	-7.26	0	292.423	2.032	1	2	2	O=C(C[N@H+]1CCC2(CCC2)C1)N1CCO[C@@H]2CCCC[C@@H]21
185088720	ZINC000096072207	ref	0.96	-4.69	0	254.355	1.523	0	5	3	CO[C@@H]1CO[C@@]2(CCN(Cc3nccs3)C2)C1
178301716	ZINC000036243590	ref	4.2	-44.66	1	240.104	1.864	1	2	1	Cc1cc2nc(C[NH3+])cn2cc1Br
185088722	ZINC000096072207	mid	3.73	-33.12	1	254.355	1.523	1	4	3	CO[C@@H]1CO[C@@]2(CC[N@H+](Cc3nccs3)C2)C1
178301719	ZINC000036243590	high	3.8	-7.59	0	240.104	1.864	1	3	1	Cc1cc2nc(CN)cn2cc1Br
185088724	ZINC000096072207	mid	3.76	-32.69	1	254.355	1.523	1	4	3	CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3nccs3)C2)C1
365634246	ZINC000123020079	high	5.66	-7.26	0	292.423	2.032	0	3	2	O=C(CN1CCC2(CCC2)C1)N1CCO[C@@H]2CCCC[C@@H]21
185088726	ZINC000096073646	ref	3.42	-12.53	0	273.336	1.607	0	5	3	N#CCN1CCC[C@]2(C[C@@H](Oc3cccnc3)CO2)C1
398248962	ZINC000649443236	ref	7.27	-49.64	1	233.336	2.718	1	2	3	O=C(c1ccc(C2=CC[NH2+]CC2)s1)C1CC1
398248966	ZINC000649443171	ref	6.69	-42.68	1	217.312	2.6	1	1	4	CCOCc1ccc(C2=CC[NH2+]CC2)cc1
185088728	ZINC000096074488	ref	6.01	-43.17	1	287.363	1.196	2	3	4	CNC(=O)C1=NO[C@]2(CC[N@H+](CCc3ccccc3)C2)C1
185088729	ZINC000096074488	mid	6.05	-44.69	1	287.363	1.196	2	3	4	CNC(=O)C1=NO[C@]2(CC[N@@H+](CCc3ccccc3)C2)C1
185088732	ZINC000096074488	mid	3.57	-6.95	0	287.363	1.196	1	4	4	CNC(=O)C1=NO[C@]2(CCN(CCc3ccccc3)C2)C1
178301731	ZINC000073737830	ref	3.32	-7.67	0	202.044	2.573	1	2	0	Cc1cc2nc(Cl)nc(Cl)c2[nH]1
299072189	ZINC000459274567	mid	6.26	-44.43	1	305.422	2.686	3	2	6	COCc1ccccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1
349534735	ZINC000093276813	ref	5.0	-17.45	0	273.283	0.313	0	5	5	Cn1cc(CN(CC(F)F)C2CC2)c(=O)n(C)c1=O
398248974	ZINC000649443238	ref	5.14	-43.95	1	218.3	2.247	1	2	4	CCCOc1ccc(C2=CC[NH2+]CC2)nc1
398248981	ZINC000649443190	ref	2.1	-48.51	1	217.272	1.554	3	1	2	NC(=O)Nc1ccc(C2=CC[NH2+]CC2)cc1
178301750	ZINC000073737782	ref	3.15	-12.65	0	211.656	1.216	2	5	1	Cc1cc2nc(Cl)nc(NN)c2n1C
343993879	ZINC000139217572	ref	6.0	-2.01	0	184.323	3.674	1	1	7	C=C(C)C(O)(CCCC)CCCC
343993884	ZINC000139180170	ref	5.43	-43.18	-1	170.164	0.274	0	4	3	C#CC[C@@](C)(C(=O)[O-])C(=O)OC
365634248	ZINC000274353439	low	3.77	-42.36	1	279.388	1.249	4	2	5	Cc1[nH]ncc1CNC(=O)NCCC1CC[NH+](C)CC1
365634253	ZINC000274352720	ref	3.15	-7.35	0	251.305	1.273	0	3	3	CN(C)C(=O)[C@@H]1CCCN1Cc1cncc(F)c1
365634258	ZINC000274352720	low	5.44	-38.47	1	251.305	1.273	1	2	3	CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1
398248970	ZINC000651465548	ref	5.51	-8.34	0	288.416	3.197	2	3	5	OCC1(CCN=c2[nH]cc(-c3ccccc3)s2)CCC1
299072191	ZINC000358087056	high	5.64	-16.27	0	303.366	1.596	2	6	7	COc1cc(NC(C)=O)ccc1[C@@H](C)NCCn1cncn1
187169672	ZINC000125097786	ref	5.74	-10.0	0	298.333	2.644	1	3	4	COc1cc(F)c(NCC(=O)N2CCC[C@@H](C)C2)cc1F
365634262	ZINC000274352720	low	5.89	-41.4	1	251.305	1.273	1	2	3	CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1cncc(F)c1
365634267	ZINC000274357147	ref	4.82	-23.1	0	281.377	1.395	0	3	3	CC[C@@H]1Cc2ccccc2CN1C(=O)CS(C)(=O)=O
299072195	ZINC000358087289	ref	5.64	-15.67	0	308.765	1.55	0	3	3	COC1CN(C(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1
365634273	ZINC000274355037	ref	3.06	-34.38	1	267.348	1.108	2	3	4	C[C@H](O)C[N@@H+]1CCN(Cc2cncc(F)c2)C[C@@H]1C
365634279	ZINC000274355037	mid	2.34	-33.34	1	267.348	1.108	2	3	4	C[C@H](O)C[N@H+]1CCN(Cc2cncc(F)c2)C[C@@H]1C
365634283	ZINC000274355037	mid	0.1	-5.74	0	267.348	1.108	1	4	4	C[C@H](O)CN1CCN(Cc2cncc(F)c2)C[C@@H]1C
282122455	ZINC000237829604	ref	4.0	-55.52	1	285.351	0.718	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]([NH3+])c1ccccc1)CC2
365634289	ZINC000274353974	ref	1.06	-10.45	0	297.351	1.172	1	6	6	COc1ccc(OC)c2c1CN(CC(OC)OC)C[C@@H]2O
299072200	ZINC000358088770	ref	3.75	-12.34	0	309.41	1.792	2	3	5	CN(C(=O)CCC[C@@]1(C)NC(=O)NC1=O)[C@H]1CCC(C)(C)C1
342078868	ZINC000625297111	mid	1.76	-13.77	0	281.337	1.035	2	4	6	COCc1cccc(S(=O)(=O)NCc2cnc[nH]2)c1
365634296	ZINC000274353974	low	3.3	-35.42	1	297.351	1.172	2	5	6	COc1ccc(OC)c2c1C[N@H+](CC(OC)OC)C[C@@H]2O
342078869	ZINC000625297111	low	2.28	-43.24	1	281.337	1.035	2	3	6	COCc1cccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c1
187169673	ZINC000125099710	ref	8.68	-49.39	1	267.735	2.854	1	2	5	C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(Cl)c1F
365634303	ZINC000274353974	low	2.32	-30.2	1	297.351	1.172	2	5	6	COc1ccc(OC)c2c1C[N@@H+](CC(OC)OC)C[C@@H]2O
342078870	ZINC000625297111	low	2.26	-43.24	1	281.337	1.035	2	3	6	COCc1cccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c1
342078871	ZINC000625296513	ref	6.05	-43.09	1	252.28	1.785	2	1	3	C[C@H](CC(=O)N[C@H]1CCC[N@H+](C)C1)C(F)(F)F
398248972	ZINC000650873896	mid	4.2	-45.64	1	281.4	1.025	3	2	3	C[C@@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CCCC1
342595652	ZINC000616966818	ref	2.72	-15.63	0	297.152	1.376	2	2	2	Cc1cc(Br)ccc1C(=O)N[C@H]1CCNC1=O
342595653	ZINC000616963323	ref	2.49	-18.71	0	290.216	1.463	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(C(F)(F)F)ccc1F
398248976	ZINC000650870816	ref	4.55	-10.57	0	284.4	1.602	2	3	3	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C
365634256	ZINC000123127990	ref	5.65	-6.5	0	272.352	2.276	0	5	3	N#Cc1cnc(N2CCC(OC3CCCC3)CC2)cn1
398248983	ZINC000650875234	ref	2.5	-13.24	0	281.4	1.766	3	2	5	C[C@@H]1CCCC[C@H]1CCNC(=O)N[C@@H]1C[C@H](C(N)=O)C1
365634270	ZINC000123091086	ref	6.57	-6.61	0	277.364	2.145	1	3	2	O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)C1=COCCC1
342595654	ZINC000616962884	ref	3.83	-21.54	0	276.336	1.157	2	3	5	CC[C@H](Oc1cccc(C)c1)C(=O)N[C@@H]1CCNC1=O
197592858	ZINC000162805362	ref	7.13	-39.45	1	318.465	2.565	2	3	7	CCCC[C@H](C[NH3+])NC(=O)c1ccc(N2CCC(C)CC2)nc1
365634277	ZINC000122966749	ref	7.37	-13.72	0	271.368	2.205	0	5	2	Cc1ccnc(N2CCc3c(nc(C(C)C)n3C)C2)n1
365634284	ZINC000122966749	low	8.79	-27.56	1	271.368	2.205	0	4	2	Cc1ccnc(N2CCc3c([nH+]c(C(C)C)n3C)C2)n1
365634292	ZINC000123106682	ref	9.71	-38.1	1	274.412	2.406	1	3	3	Cc1cc(C)nc(N2CC[NH+](CC3CCCC3)CC2)n1
342595655	ZINC000616967523	ref	3.73	-18.97	0	258.321	1.113	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccccc2)CCC1
365634305	ZINC000123106682	high	7.5	-6.24	0	274.412	2.406	0	4	3	Cc1cc(C)nc(N2CCN(CC3CCCC3)CC2)n1
187169674	ZINC000125099710	low	9.19	-104.19	2	267.735	2.854	1	1	5	C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(Cl)c1F
299072192	ZINC000567664973	ref	5.57	-51.73	1	278.4	2.385	2	3	5	CC(C)CCn1nccc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1
365634315	ZINC000123014946	ref	4.32	-5.17	0	292.423	2.368	2	3	6	CCOc1ccccc1N1CC[NH+](C[C@](C)(O)CC)CC1
342595656	ZINC000616967354	ref	2.89	-19.08	0	290.367	1.134	2	4	3	CC(C)(C)n1nc(C(=O)N[C@@H]2CCNC2=O)cc1C1CC1
365634327	ZINC000123014946	high	4.32	-5.17	0	292.423	2.368	1	4	6	CCOc1ccccc1N1CCN(C[C@](C)(O)CC)CC1
342595657	ZINC000616966808	ref	2.32	-19.29	0	294.376	1.18	2	4	5	COc1ccc(S[C@@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
342595658	ZINC000616962950	ref	4.22	-16.51	0	274.364	1.821	2	2	5	CC(C)C[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365634330	ZINC000123127730	ref	5.51	-8.48	0	296.455	2.238	0	3	5	CCC[C@H](C(=O)N1C[C@@H](N2CCOCC2)[C@H](C)C1)C(C)C
398248978	ZINC000651463928	ref	6.99	-7.94	0	268.32	3.101	1	5	4	CCc1cccc(CNc2ncnc3onc(C)c23)c1
214184955	ZINC000293578410	high	5.53	-14.49	0	362.449	0.931	1	4	6	CN(C)CCN1C[C@@H](C(=O)N[C@H]2CCN(c3ccccc3F)C2)CC1=O
398248988	ZINC000651465531	ref	4.97	-32.13	1	274.339	3.339	2	2	5	OCC1(CCNc2cc[nH+]c3cc(F)ccc23)CCC1
398248993	ZINC000651465531	mid	4.54	-8.05	0	274.339	3.339	2	3	5	OCC1(CCNc2ccnc3cc(F)ccc23)CCC1
398248998	ZINC000651461937	ref	9.91	-98.74	2	264.457	3.443	2	0	6	C=CCC1(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CCCC1
178301712	ZINC000237186101	high	4.37	-91.76	0	373.457	1.039	1	5	4	CCn1c(=O)[n-]c(=O)c2c(C(=O)N3CCC(C[NH3+])CC3)cc(C(C)C)nc21
214184960	ZINC000293581537	ref	2.65	-9.43	0	352.391	0.203	3	7	5	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@]1(O)CCC[C@H]1C
214184964	ZINC000293573079	ref	1.95	-25.85	0	356.382	0.763	3	6	6	O=C(Cn1cc(NC(=O)c2ccc3c(c2)CCCC3=O)cn1)NCCO
398249004	ZINC000651462710	ref	5.12	-46.45	1	298.386	3.358	2	3	4	C[C@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(O)c1
178301714	ZINC000237184030	ref	5.33	-51.68	1	359.474	1.737	1	5	5	COc1nn(C)c2nc(C)c(CCC(=O)N(C)C3CC[NH2+]CC3)c(C)c12
398249010	ZINC000651462496	ref	2.7	-8.27	0	265.382	3.243	1	5	6	CCCc1ncc(CN[C@@H](C)c2cnc(C)s2)o1
398249014	ZINC000651462496	mid	3.86	-44.41	1	265.382	3.243	1	4	6	CCCc1ncc(C[NH2+][C@@H](C)c2cnc(C)s2)o1
398249018	ZINC000651464186	ref	8.38	-9.01	0	280.375	3.451	1	4	4	CCc1cccc(CNc2ccnc3c2c(C)nn3C)c1
398249026	ZINC000651463409	ref	4.17	-11.22	0	292.354	3.156	2	4	8	CCCOc1cccc2c(N[C@H](CO)CCF)ccnc12
398249031	ZINC000651463409	low	4.65	-30.18	1	292.354	3.156	2	3	8	CCCOc1cccc2c(N[C@H](CO)CCF)cc[nH+]c12
178301718	ZINC000237198770	ref	5.19	-54.62	-1	365.383	1.787	0	7	7	CN(Cc1nccn1C(F)F)S(=O)(=O)c1ccc(CC(=O)[O-])s1
398249036	ZINC000651463563	ref	6.94	-48.61	1	285.391	3.324	2	2	5	COc1cccc([C@@H]2C[C@@H]([NH2+][C@H](C)c3c[nH]nc3C)C2)c1
398249042	ZINC000651463563	mid	6.91	-45.0	1	285.391	3.324	2	2	5	COc1cccc([C@@H]2C[C@@H]([NH2+][C@H](C)c3cn[nH]c3C)C2)c1
178301721	ZINC000237191543	ref	3.68	-55.48	1	357.432	1.789	2	5	7	COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1
178301725	ZINC000237179151	ref	7.67	-51.19	1	352.523	1.912	2	2	6	C[NH2+]C[C@@H]1CCCN(C(=O)C[C@H]2CCCN(C(=O)NCC(C)C)C2)C1
365634276	ZINC000354704168	ref	5.82	-14.03	0	283.368	1.651	1	4	6	COC(=O)[C@@H]1CC[C@@H]1C(=O)NCCC[C@H]1CCCCO1
365634280	ZINC000354704995	ref	1.03	-9.37	0	264.325	1.97	2	4	4	COc1ccc(NC(=O)C[C@H]2CCCC[C@H]2O)cn1
365634285	ZINC000354703842	ref	3.87	-45.22	1	295.427	1.187	3	2	6	C[C@@H]1CCCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365634290	ZINC000354704469	ref	6.34	-18.45	0	273.336	1.466	1	4	6	Cc1cccc(OCC(=O)NCCc2ccn(C)n2)c1
365634294	ZINC000354703970	ref	4.8	-8.52	0	265.256	1.24	1	4	8	C/C=C/C[C@@H](NC(=O)COC(F)F)C(=O)OCC
178301715	ZINC000082796535	high	4.21	-44.24	1	261.369	0.941	3	2	5	C[NH+](C)CCCNC(=O)[C@@H]1CNCc2ccccc21
365634299	ZINC000354704317	ref	5.22	-42.72	1	294.37	1.502	3	2	4	C[C@H](C(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1F
365634304	ZINC000354704317	high	2.85	-9.08	0	294.37	1.502	2	3	4	C[C@H](C(=O)NCC1(O)CCN(C)CC1)c1ccccc1F
365634309	ZINC000354705503	ref	2.76	-30.59	1	286.46	1.705	3	3	8	C[C@@H](O)CCCN1CC[N@H+](CCC[C@@H](C)O)CC1(C)C
342078872	ZINC000625296513	mid	5.51	-41.26	1	252.28	1.785	2	1	3	C[C@H](CC(=O)N[C@H]1CCC[N@@H+](C)C1)C(F)(F)F
342078873	ZINC000625296513	high	3.15	-6.42	0	252.28	1.785	1	2	3	C[C@H](CC(=O)N[C@H]1CCCN(C)C1)C(F)(F)F
342078874	ZINC000625296896	ref	3.46	-18.61	0	265.338	1.338	2	3	5	Cc1cccc(CS(=O)(=O)NCc2c[nH]cn2)c1
342078875	ZINC000625296896	mid	3.42	-17.23	0	265.338	1.338	2	3	5	Cc1cccc(CS(=O)(=O)NCc2cnc[nH]2)c1
185088742	ZINC000096072955	ref	6.09	-8.98	0	274.364	2.421	0	3	1	Cc1ccc(C(=O)N2CCC3(CC2)C[C@@H](C)CO3)cn1
185088744	ZINC000096072901	ref	4.12	-14.9	0	276.336	1.03	0	4	3	CO[C@@H]1CO[C@]2(CCN(C(=O)Cc3ccccn3)C2)C1
282122456	ZINC000237829604	mid	3.67	-14.98	0	285.351	0.718	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](N)c1ccccc1)CC2
282122458	ZINC000445055102	ref	3.86	-15.56	0	343.313	1.475	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)Nc1cnn(C)c1C(F)(F)F)CC2
185088749	ZINC000096072142	ref	5.98	-8.4	0	283.375	2.558	1	3	3	c1ccc([C@H]2CO[C@]3(CCN(Cc4c[nH]cn4)C3)C2)cc1
185088751	ZINC000096072142	mid	8.6	-34.68	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@]3(CC[N@@H+](Cc4c[nH]cn4)C3)C2)cc1
214184958	ZINC000337620681	ref	9.13	-13.17	0	280.306	3.159	1	4	4	N#Cc1c(F)cccc1NCCn1cnc2ccccc21
342078876	ZINC000625296896	low	3.94	-47.56	1	265.338	1.338	2	2	5	Cc1cccc(CS(=O)(=O)NCc2c[nH+]c[nH]2)c1
168366072	ZINC000087934679	ref	2.3	-45.06	1	154.188	1.11	1	1	2	C[C@@H]([NH3+])Cc1cncc(F)c1
185088753	ZINC000096072142	mid	8.75	-35.98	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@]3(CC[N@H+](Cc4c[nH]cn4)C3)C2)cc1
214184962	ZINC000337623719	ref	3.89	-16.71	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC(=O)[C@@H](C)C1
365634281	ZINC000172890144	ref	7.03	-46.08	1	287.363	1.719	0	5	5	COC[C@@H]1CN(Cc2cnn(-c3ccccc3)c2)CCO1
214184965	ZINC000337622760	ref	8.05	-12.61	0	279.388	2.409	2	4	6	Cc1cc(N(C)C)nc(NC(=O)NCCCC(C)C)n1
185088755	ZINC000096072142	mid	8.58	-42.72	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)cc1
187169675	ZINC000125099710	high	7.76	-11.62	0	267.735	2.854	1	3	5	C[C@H](Cn1ccnc1)NCc1cccc(Cl)c1F
185088756	ZINC000096072142	mid	8.71	-44.3	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@]3(CC[N@H+](Cc4cnc[nH]4)C3)C2)cc1
398249462	ZINC000370236415	high	5.99	-10.18	0	220.32	1.81	1	4	3	Cc1nnc2n1CCC[C@@H]2N[C@@H](C)C1CC1
187169676	ZINC000125100111	ref	4.12	-12.63	0	277.368	2.453	3	3	4	Cc1cccc(NC(=O)NC[C@H](O)C2CCCCC2)n1
214184970	ZINC000337620556	ref	2.57	-23.21	0	274.259	0.751	2	5	4	Fc1cccnc1OCCN=c1ncnc2[nH][nH]cc1-2
185088758	ZINC000096072142	high	5.95	-7.52	0	283.375	2.558	1	3	3	c1ccc([C@H]2CO[C@]3(CCN(Cc4cnc[nH]4)C3)C2)cc1
185088761	ZINC000096072841	ref	5.34	-12.03	0	288.307	1.117	0	6	2	O=C(c1ccno1)N1CC[C@@]2(C[C@H](n3ccnc3)CO2)C1
185088762	ZINC000096072841	low	6.12	-42.09	1	288.307	1.117	0	5	2	O=C(c1ccno1)N1CC[C@@]2(C[C@H](n3cc[nH+]c3)CO2)C1
342595659	ZINC000616963832	ref	4.2	-16.98	0	274.364	1.821	2	2	5	CC[C@H](C)[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
342595660	ZINC000616963501	ref	3.87	-17.2	0	258.321	1.403	2	2	4	Cc1ccc(/C=C\CC(=O)N[C@@H]2CCNC2=O)cc1
342595661	ZINC000616963833	ref	4.21	-16.73	0	274.364	1.821	2	2	5	CC[C@H](C)[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
187169677	ZINC000125096969	ref	1.47	-53.16	1	294.311	0.021	3	4	6	CC(C)(NC(=O)CNC(=O)C[NH3+])c1ccc([N+](=O)[O-])cc1
185088764	ZINC000096073389	ref	5.44	-10.82	0	289.379	2.144	0	4	2	CC(C)[C@@H]1CO[C@@]2(CCCN(C(=O)c3cnccn3)C2)C1
197592867	ZINC000290092581	ref	9.74	-15.66	0	259.357	2.036	0	5	5	CCN(c1nnc(Cc2ccccn2)n1C)C(C)C
342595662	ZINC000616963899	ref	3.73	-17.75	0	278.377	1.562	2	3	5	CC[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCNC1=O
187169678	ZINC000125096969	mid	1.07	-13.5	0	294.311	0.021	3	5	6	CC(C)(NC(=O)CNC(=O)CN)c1ccc([N+](=O)[O-])cc1
323004517	ZINC000322227643	ref	5.01	-41.18	1	220.316	2.224	1	2	5	COc1cc(C[NH2+][C@H](C)[C@@H]2C[C@@H]2C)ccn1
214184971	ZINC000293571481	ref	3.43	-17.27	0	368.437	0.898	1	5	5	O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1cnc2ccccc2c1
178301726	ZINC000082798001	ref	3.44	-38.84	0	261.372	1.519	1	6	5	Cc1nnc(S[C@@H](C)C[C@](C)([NH3+])C(=O)[O-])s1
178301729	ZINC000082796512	ref	5.19	-52.12	1	259.334	1.969	2	3	2	O=C(Nc1nccs1)[C@H]1C[NH2+]Cc2ccccc21
365634288	ZINC000172890144	low	6.99	-46.16	1	287.363	1.719	1	4	5	COC[C@@H]1C[N@H+](Cc2cnn(-c3ccccc3)c2)CCO1
349534738	ZINC000621494684	ref	7.59	-9.23	0	272.339	3.007	1	1	3	O=C(NCC[C@H]1CC1(F)F)N1CCC2(CCC2)CC1
178301732	ZINC000082796512	high	3.56	-12.94	0	259.334	1.969	2	4	2	O=C(Nc1nccs1)[C@H]1CNCc2ccccc21
178301734	ZINC000082796536	ref	5.69	-93.89	2	261.369	0.941	3	1	5	C[NH+](C)CCCNC(=O)[C@H]1C[NH2+]Cc2ccccc21
365634295	ZINC000172890144	low	6.99	-46.16	1	287.363	1.719	1	4	5	COC[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3)c2)CCO1
365634300	ZINC000172889147	ref	2.54	-14.15	0	294.319	1.972	1	4	6	C[C@@H](O)[C@@H](C)S(=O)(=O)Cc1ccccc1OC(F)F
178301735	ZINC000082796536	high	4.17	-43.81	1	261.369	0.941	3	2	5	C[NH+](C)CCCNC(=O)[C@H]1CNCc2ccccc21
365634307	ZINC000172891512	ref	-0.34	-11.29	0	289.335	1.584	0	6	5	COC[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CCO1
214184978	ZINC000293571481	low	5.87	-51.94	1	368.437	0.898	2	4	5	O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc2ccccc2c1
349534741	ZINC000621492926	ref	4.11	-15.05	0	298.346	3.189	2	4	4	C[C@H]1CC[C@H]1NC(=O)Nc1ccc(Oc2cccnn2)cc1
349534746	ZINC000621492731	ref	7.37	-10.42	0	272.339	3.004	1	1	3	CC1C[C@@H]2CC[C@H](C1)N2C(=O)NCC[C@H]1CC1(F)F
349534755	ZINC000621493618	ref	7.81	-9.05	0	250.386	3.007	1	1	3	CC1(C)CC[C@H](NC(=O)N2CC(CC3CC3)C2)C1
343993880	ZINC000079914720	ref	8.51	-45.48	1	291.395	2.402	2	4	6	CCOC(=O)c1ccc(NCC[N@@H+]2CCC[C@H](C)C2)nc1
342078877	ZINC000625296896	low	3.92	-47.73	1	265.338	1.338	2	2	5	Cc1cccc(CS(=O)(=O)NCc2c[nH]c[nH+]2)c1
349534760	ZINC000621491453	ref	8.61	-14.55	0	294.345	3.467	1	1	4	C[C@H](NC(=O)N1CC(CC2CC2)C1)c1cccc(F)c1F
349534765	ZINC000621494574	ref	7.61	-9.37	0	286.366	3.252	1	1	3	CC1(C)CN(C(=O)NCC[C@@H]2CC2(F)F)[C@H]2CCC[C@H]21
342078878	ZINC000625297144	ref	7.63	-14.59	0	295.383	1.306	0	3	6	CC[C@@H](C)[C@@H](C)N(C(=O)CN1CC(=O)N(C)C1=O)C1CC1
342078879	ZINC000402854244	ref	4.34	-13.63	0	287.363	1.998	1	4	5	CCN(CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCOC1
365639436	ZINC000123658763	mid	6.32	-43.08	1	290.473	2.168	1	2	7	CC(C)C[C@H]1CCCC[N@H+]1CCCS(=O)(=O)N(C)C
398248989	ZINC000649443078	ref	7.6	-45.23	1	239.322	2.557	1	2	2	Cc1ccnn1-c1cccc(C2=CC[NH2+]CC2)c1
398248996	ZINC000649443270	ref	7.15	-46.02	1	213.28	3.118	1	1	1	Cc1cc2cc(C3=CC[NH2+]CC3)ccc2o1
398249000	ZINC000649443245	ref	6.96	-49.2	1	213.28	2.192	1	1	1	O=C1CCc2cc(C3=CC[NH2+]CC3)ccc21
282122459	ZINC000370503588	ref	9.0	-48.97	1	288.391	2.532	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CCCC2)c2ccccc2O1
398249001	ZINC000649443140	ref	-0.89	-51.84	1	239.3	0.106	2	3	2	NS(=O)(=O)c1cncc(C2=CC[NH2+]CC2)c1
398249005	ZINC000649443149	ref	7.45	-42.44	1	231.339	2.988	1	1	4	CC(C)OCc1ccc(C2=CC[NH2+]CC2)cc1
365634301	ZINC000623065987	ref	2.79	-50.19	1	316.361	1.176	3	3	2	CN(C(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@H]1CCC[NH2+]CC1
398249009	ZINC000649443232	ref	4.59	-47.18	1	243.306	2.344	2	2	3	OCCc1cc2cc(C3=CC[NH2+]CC3)ccc2o1
398249015	ZINC000649443132	ref	7.58	-49.16	1	227.307	2.501	1	1	1	Cc1cc(C2=CC[NH2+]CC2)cc2c1C(=O)CC2
398249021	ZINC000649443087	ref	6.26	-45.31	1	220.341	2.57	1	2	3	CCSc1ccc(C2=CC[NH2+]CC2)cn1
398249025	ZINC000649443189	ref	6.33	-47.99	1	243.306	2.419	1	2	1	O=C1CCCOc2ccc(C3=CC[NH2+]CC3)cc21
398249030	ZINC000649443088	ref	0.01	-48.98	1	247.298	0.18	3	3	4	O=C(NCCO)c1cncc(C2=CC[NH2+]CC2)c1
398249035	ZINC000649443255	ref	3.09	-49.11	1	243.31	1.452	2	2	1	CN1CC(=O)Nc2ccc(C3=CC[NH2+]CC3)cc21
178301727	ZINC000237189659	ref	4.24	-51.22	1	353.488	1.059	2	3	7	C[NH2+]C[C@@H](C)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
398249039	ZINC000649443181	ref	5.74	-45.29	1	229.279	2.028	1	2	1	O=C1CCOc2ccc(C3=CC[NH2+]CC3)cc21
178301730	ZINC000237192315	ref	4.54	-18.16	0	352.778	1.938	2	6	5	COc1cc(N)c(Cl)cc1C(=O)N(C)CC(=O)Nc1cc(C)on1
192037561	ZINC000273075184	ref	5.17	-37.78	1	251.305	1.435	2	2	3	CC[NH+]1CCC(NC(=O)c2ccc(F)cn2)CC1
398249043	ZINC000649443144	ref	4.53	-44.33	1	235.352	2.148	2	2	4	OCCSc1ccc(C2=CC[NH2+]CC2)cc1
178301733	ZINC000237198945	ref	4.27	-59.11	-1	351.356	1.859	0	7	6	CN(Cc1nccn1C(F)F)S(=O)(=O)c1csc(C(=O)[O-])c1
214184974	ZINC000337620556	high	2.42	-39.55	-1	274.259	0.751	1	5	4	Fc1cccnc1OCCN=c1ncnc2[nH][n-]cc1-2
398249049	ZINC000649443221	ref	5.18	-48.24	1	228.295	1.948	2	1	1	O=C1CCc2cc(C3=CC[NH2+]CC3)ccc2N1
398249056	ZINC000649443038	ref	8.07	-45.88	1	241.334	2.927	1	1	1	CC1(C)CC(=O)c2cc(C3=CC[NH2+]CC3)ccc21
398249059	ZINC000649443266	ref	5.96	-53.11	1	230.267	1.508	1	3	1	Cn1c(=O)oc2cc(C3=CC[NH2+]CC3)ccc21
282122460	ZINC000333307603	ref	7.26	-47.11	1	317.437	1.425	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)CC2
192037559	ZINC000418462406	ref	5.38	-55.84	1	241.379	1.945	2	1	6	CCCCN(CC)C(=O)N[C@H]1CCC[C@H]1C[NH3+]
342595663	ZINC000616963951	ref	3.75	-16.26	0	260.337	1.26	2	2	4	CC(C)(Cc1ccccc1)C(=O)N[C@@H]1CCNC1=O
398248990	ZINC000650873542	ref	2.22	-19.54	0	274.386	1.051	2	3	4	C[C@@H](CS(C)(=O)=O)NC(=O)NC1CC2(CCC2)C1
197592873	ZINC000162804411	ref	2.77	-15.2	0	303.362	1.807	3	3	2	O=C1CCc2cc(NC(=O)N3CCC(CO)CC3)ccc2N1
432002730	ZINC000062106984	ref	6.53	-7.34	0	306.406	3.483	2	3	4	Cc1ccccc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C
365634306	ZINC000623065987	high	0.98	-77.82	0	316.361	1.176	2	3	2	CN(C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCC[NH2+]CC1
185088766	ZINC000096073252	ref	6.14	-46.45	1	278.352	1.605	1	3	2	C[NH+](C)[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
342595664	ZINC000194476449	ref	4.01	-16.17	0	255.362	1.487	2	2	6	CCN(C(=O)NCCCNC(C)=O)C1CCCC1
342595665	ZINC000616963502	ref	4.09	-19.04	0	258.321	1.403	2	2	4	Cc1ccc(/C=C/CC(=O)N[C@@H]2CCNC2=O)cc1
342595666	ZINC000616963702	ref	4.03	-15.35	0	266.385	1.988	2	2	5	CC[C@H](CC1CCCCC1)C(=O)N[C@H]1CCNC1=O
214184984	ZINC000337622861	ref	3.75	-25.07	0	270.256	-0.108	1	8	4	O=C(Cn1cnnn1)Nc1cnccc1-n1cccn1
365634313	ZINC000623065423	ref	1.77	-55.84	1	311.407	1.352	3	3	3	C[C@@H]1C[C@@H](NC(=O)Nc2ccc(S(C)(=O)=O)cc2)CC[NH2+]1
365634319	ZINC000623065721	ref	3.67	-49.9	1	300.362	1.041	3	3	2	CC1(C)C[NH2+]CC[C@H]1NC(=O)c1nc2ccccc2c(=O)[nH]1
214184988	ZINC000337622861	mid	4.19	-50.63	1	270.256	-0.108	1	7	4	O=C(Cn1cnnn1)Nc1c[nH+]ccc1-n1cccn1
365634322	ZINC000623065721	mid	2.61	-74.81	0	300.362	1.041	2	3	2	CC1(C)C[NH2+]CC[C@H]1NC(=O)c1nc2ccccc2c(=O)[n-]1
342595667	ZINC000616963396	ref	2.72	-14.81	0	297.152	1.376	2	2	2	Cc1ccc(Br)cc1C(=O)N[C@H]1CCNC1=O
178305859	ZINC000223769235	ref	7.61	-7.71	0	229.327	3.432	1	3	1	Cc1cc2ncn(C3CCCCC3)c2cc1N
214184992	ZINC000337623717	ref	3.69	-16.86	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC(=O)[C@H](C)C1
214184994	ZINC000337622702	ref	-0.49	-9.57	0	252.261	0.827	3	3	5	C[C@H](CO)NC(=O)N[C@H]1CCC[C@H]1OC(F)F
214184998	ZINC000337621901	ref	4.78	-8.72	0	263.328	2.431	1	2	5	CCCC[C@@H](C)C(=O)N1CCC(O)(C(F)F)CC1
365634329	ZINC000623065336	ref	4.44	-46.43	1	312.373	1.139	2	3	1	O=C(c1nc2ccccc2c(=O)[nH]1)N1CCC[C@@]2(CC[NH2+]C2)C1
178301736	ZINC000237193306	ref	5.23	-45.67	1	370.291	1.628	2	3	8	COCC[NH2+]CC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1
365634310	ZINC000274355217	ref	2.65	-40.47	1	295.408	1.172	3	3	4	C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(N)c2)C[N@@H+]1C1CC1
365634317	ZINC000274355217	mid	3.19	-39.72	1	295.408	1.172	3	3	4	C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(N)c2)C[N@H+]1C1CC1
178301738	ZINC000237193306	high	3.89	-10.66	0	370.291	1.628	2	4	8	COCCNCC(=O)NC[C@@H]1CCN(c2cccc(Br)c2)C1
365634321	ZINC000274355217	mid	0.85	-9.17	0	295.408	1.172	2	4	4	C[C@@H]1C[C@@H](NS(=O)(=O)c2cccc(N)c2)CN1C1CC1
365634326	ZINC000274355705	ref	4.01	-9.91	0	297.376	1.691	0	4	3	CC1(c2ccc(S(=O)(=O)N3CCCC3)cc2)OCCO1
365634333	ZINC000274352945	ref	4.08	-49.51	1	292.379	1.162	2	4	6	COC(=O)CN1CCC([NH2+]CCc2ccc(O)cc2)CC1
365639160	ZINC000274368703	mid	2.49	-9.44	0	295.335	1.529	2	6	7	COC(=O)C1=C(C)O[C@H](CN[C@H](CCO)c2ccco2)C1
365639165	ZINC000307180274	ref	4.72	-95.04	2	262.353	1.351	2	2	3	C[C@@H]1C[C@]2(C[N@@H+]1Cc1ccccc1)OC[C@H](C[NH3+])O2
178301740	ZINC000237182543	ref	8.39	-59.99	1	363.483	1.611	1	6	8	COc1ccccc1SC[C@H](C)C[NH2+]Cc1cn(C)c(=O)n(C)c1=O
178301742	ZINC000237185907	ref	3.34	-57.61	1	359.474	1.77	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CCC[C@@H]3C[NH3+])c(C)c12
365639168	ZINC000307180274	mid	5.05	-93.04	2	262.353	1.351	2	2	3	C[C@@H]1C[C@]2(C[N@H+]1Cc1ccccc1)OC[C@H](C[NH3+])O2
178301745	ZINC000237197489	ref	5.45	-39.71	1	358.486	1.331	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CC1
178301747	ZINC000237197489	mid	7.8	-86.73	2	358.486	1.331	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)c2)CC1
365639171	ZINC000307180274	mid	2.42	-47.02	1	262.353	1.351	1	3	3	C[C@@H]1C[C@]2(CN1Cc1ccccc1)OC[C@H](C[NH3+])O2
365639175	ZINC000274370063	ref	5.82	-10.83	0	267.712	1.739	1	3	4	CCC(=O)CNC(=O)[C@@H]1Cc2cc(Cl)ccc2O1
178305862	ZINC000223769235	low	8.09	-28.35	1	229.327	3.432	1	2	1	Cc1cc2[nH+]cn(C3CCCCC3)c2cc1N
192037560	ZINC000418432353	ref	2.63	-99.99	2	242.367	0.365	4	1	5	C[NH+](C)CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]
365639181	ZINC000274369541	ref	0.54	-13.42	0	293.323	1.113	1	5	2	COc1ccc(NC(=O)N2CCO[C@@]3(CCOC3)C2)cn1
192037563	ZINC000418432353	high	0.15	-54.3	1	242.367	0.365	3	2	5	CN(C)CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]
262839521	ZINC000035136851	high	7.08	-2.75	0	221.344	3.899	1	2	4	CCC1CCC(N[C@@H](C)c2ccco2)CC1
365639437	ZINC000343899163	ref	3.05	-4.86	0	227.348	2.09	2	2	6	CC[C@@](C)(CO)NC(=O)CC(C)(C)C1CC1
398248992	ZINC000286174770	ref	2.71	-8.14	0	238.287	0.908	1	3	3	C=C(C)[C@H]1OCC[C@@H]1CN1C(=O)N[C@@H](C)C1=O
282122461	ZINC000333307603	mid	7.93	-44.34	1	317.437	1.425	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)CC2
282123636	ZINC000449156239	ref	7.45	-37.9	1	259.39	2.369	1	3	8	COC(=O)COC[C@H](C)[NH2+][C@H](C)CCC(C)(C)C
192037562	ZINC000273075184	high	2.79	-5.4	0	251.305	1.435	1	3	3	CCN1CCC(NC(=O)c2ccc(F)cn2)CC1
295666283	ZINC000408404104	ref	3.79	-18.3	0	339.461	1.499	2	4	2	CS[C@H]1CCCCN(C(=O)C2CCC3(CC2)NC(=O)NC3=O)C1
295666285	ZINC000373785150	ref	5.19	-31.01	-1	326.384	2.188	0	3	3	CS[C@H]1CCCCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)C1
295666287	ZINC000373785150	mid	6.43	-7.21	0	326.384	2.188	1	3	3	CS[C@H]1CCCCN(C(=O)C(C)(C)NC(=O)C(F)(F)F)C1
295666289	ZINC000151252938	ref	8.07	-19.16	0	312.479	2.57	1	3	3	CS[C@H]1CCCCN(C(=O)C2(NC(C)=O)CCCCC2)C1
295666292	ZINC000119794274	ref	2.86	-20.23	0	271.386	0.931	2	3	3	CS[C@H]1CCCCN(C(=O)C2(NC(N)=O)CC2)C1
299072193	ZINC000459274784	ref	4.12	-12.21	0	308.378	2.701	2	4	5	CC[C@@H]1OCC[C@H]1NC(=O)Nc1cc(OC)c(OC)cc1C
342078880	ZINC000402854244	mid	6.43	-45.65	1	287.363	1.998	2	3	5	CC[N@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCOC1
342078881	ZINC000402854244	mid	6.34	-43.99	1	287.363	1.998	2	3	5	CC[N@@H+](CC(=O)Nc1cccc(C#N)c1)[C@H]1CCCOC1
178305865	ZINC000049579825	ref	7.21	-44.07	1	244.342	2.759	2	2	5	Cc1cc2ncn(CCCCC(N)=[NH2+])c2cc1C
214184981	ZINC000053491603	ref	5.05	-16.02	0	327.384	2.276	2	3	4	NC(=O)C1CCN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CC1
398248997	ZINC000095297915	ref	0.67	-47.8	-1	239.279	0.122	1	5	5	COCCC(=O)NC1(c2nnn[n-]2)CCCC1
342078882	ZINC000625297079	ref	1.27	-43.04	1	250.342	1.398	3	3	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccnc1
342078883	ZINC000625297079	high	0.12	-7.27	0	250.342	1.398	3	4	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1cccnc1
398249007	ZINC000095297915	mid	0.68	-47.81	-1	239.279	0.122	1	5	5	COCCC(=O)NC1(c2nn[n-]n2)CCCC1
230236506	ZINC000354992308	ref	0.24	-21.55	0	260.301	-0.059	1	6	5	CN(Cc1cccc(C(N)=O)c1)Cc1nnnn1C
230236516	ZINC000355029309	ref	-0.27	-14.29	0	263.297	-0.294	2	4	3	CCc1ccnc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c1
230236526	ZINC000354870687	ref	1.63	-45.65	1	258.318	-0.489	2	5	6	COC(=O)C[C@H]1C(=O)NCCN1CCC[C@@H](C)O
230236532	ZINC000354870687	low	2.22	-52.57	1	258.318	-0.489	3	4	6	COC(=O)C[C@H]1C(=O)NCC[N@H+]1CCC[C@@H](C)O
230236536	ZINC000354870687	low	1.63	-45.65	1	258.318	-0.489	3	4	6	COC(=O)C[C@H]1C(=O)NCC[N@@H+]1CCC[C@@H](C)O
185088768	ZINC000096073252	high	3.75	-7.98	0	278.352	1.605	0	4	2	CN(C)[C@H]1COC2(CCN(C(=O)c3ccco3)CC2)C1
185088770	ZINC000096073386	ref	5.64	-11.0	0	289.379	2.144	0	4	2	CC(C)[C@H]1CO[C@]2(CCCN(C(=O)c3cnccn3)C2)C1
349534742	ZINC000594969766	ref	5.65	-44.74	1	299.411	2.614	1	2	5	COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1
190493643	ZINC000269436064	ref	6.09	-11.98	0	295.329	2.299	1	2	3	O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC(CO)CC1
185088771	ZINC000096072112	ref	4.49	-17.1	0	293.367	0.927	0	5	5	COCC[C@H]1CO[C@@]2(CCN(C(=O)Cn3cccn3)C2)C1
185088774	ZINC000096073347	ref	3.77	-6.65	0	267.398	2.319	0	5	3	CC[C@@H]1CO[C@]2(CCCN(Cc3csnn3)C2)C1
185088776	ZINC000096073347	low	6.46	-37.2	1	267.398	2.319	1	4	3	CC[C@@H]1CO[C@]2(CCC[N@H+](Cc3csnn3)C2)C1
342078884	ZINC000608855990	ref	5.28	-11.35	0	286.339	1.455	2	7	4	N#CCCn1ncc2c(N[C@@H]3CCCC[C@@H]3O)ncnc21
214184982	ZINC000293577369	ref	1.99	-12.92	0	365.449	0.206	1	5	6	O=C(CN1CCN(C[C@@H](O)Cc2ccc(F)cc2)CC1)N1CCOCC1
214184985	ZINC000293577369	mid	4.31	-49.36	1	365.449	0.206	2	4	6	O=C(CN1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1)N1CCOCC1
185088778	ZINC000096073347	low	6.19	-39.28	1	267.398	2.319	1	4	3	CC[C@@H]1CO[C@]2(CCC[N@@H+](Cc3csnn3)C2)C1
178301748	ZINC000082798378	ref	2.9	-43.86	1	261.774	2.24	1	2	4	C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccccc1Cl
192037564	ZINC000273073970	ref	5.8	-7.56	0	276.38	2.898	1	4	6	CC[C@H](C)Oc1cccc(NCN2CCC(=O)CC2)c1
185088781	ZINC000096072222	ref	4.65	-11.91	0	281.377	1.697	0	4	3	CO[C@H]1CO[C@]2(CCN(C(=O)Cc3ccsc3)C2)C1
178301752	ZINC000082797962	ref	2.86	-41.43	1	261.372	1.299	1	6	5	COC(=O)[C@@](C)([NH3+])C[C@H](C)Sc1nncs1
185088783	ZINC000096073923	ref	7.81	-37.11	1	264.394	2.192	1	2	2	CN1CC[C@@]2(CCC[N@H+](Cc3cccs3)C2)C1=O
178301753	ZINC000082797962	mid	2.98	-8.07	0	261.372	1.299	1	7	5	COC(=O)[C@@](C)(N)C[C@H](C)Sc1nncs1
185088785	ZINC000096073923	mid	7.73	-41.24	1	264.394	2.192	1	2	2	CN1CC[C@@]2(CCC[N@@H+](Cc3cccs3)C2)C1=O
342078885	ZINC000608855990	low	5.66	-40.19	1	286.339	1.455	2	6	4	N#CCCn1ncc2c(N[C@@H]3CCCC[C@@H]3O)[nH+]cnc21
214184991	ZINC000293573748	ref	0.05	-17.79	0	354.428	0.278	2	5	5	CS(=O)(=O)N1CCc2cc(C(=O)NC[C@H]3CC[C@@H](CO)O3)ccc21
342078886	ZINC000625296421	ref	5.58	-36.43	1	256.39	1.65	2	2	4	COC1(C)CC[NH+](CC(=O)NCC(C)(C)C)CC1
342078887	ZINC000625296421	mid	3.42	-7.23	0	256.39	1.65	1	3	4	COC1(C)CCN(CC(=O)NCC(C)(C)C)CC1
214184986	ZINC000053492078	ref	5.79	-10.29	0	343.427	2.706	1	4	6	CCOc1ccc(CN2CCN(C(=O)NCc3ccco3)CC2)cc1
214184990	ZINC000053492078	low	8.2	-48.13	1	343.427	2.706	2	3	6	CCOc1ccc(C[NH+]2CCN(C(=O)NCc3ccco3)CC2)cc1
214184995	ZINC000053492877	ref	4.81	-20.92	0	349.431	1.558	2	4	9	COc1ccc(CCNC(=O)NCCCN2CCCC2=O)cc1OC
365634311	ZINC000354705503	mid	2.59	-31.47	1	286.46	1.705	3	3	8	C[C@@H](O)CCCN1CC[N@@H+](CCC[C@@H](C)O)CC1(C)C
214185000	ZINC000053475689	ref	3.01	-25.43	0	329.331	2.064	3	3	5	CC(=O)Nc1cc(C(=O)Nc2ccc(CC(N)=O)cc2)ccc1F
342595668	ZINC000616967424	ref	4.48	-18.97	0	292.404	1.907	2	3	5	CC(C)c1ccc(SCC(=O)N[C@H]2CCNC2=O)cc1
342595669	ZINC000616963354	ref	2.63	-16.96	0	276.336	1.193	2	3	5	COc1ccc([C@H](C)CC(=O)N[C@H]2CCNC2=O)cc1
342595670	ZINC000616963864	ref	2.98	-22.25	0	290.367	1.086	2	4	3	Cn1cc(C(=O)N[C@H]2CCNC2=O)c(C2CCCCC2)n1
214185005	ZINC000053476377	ref	9.59	-19.59	0	336.391	3.178	1	4	5	O=C(CCCn1c(=O)oc2ccccc21)N[C@H]1CCc2ccccc21
214185008	ZINC000053473261	ref	8.27	-21.34	0	349.434	2.992	2	3	5	Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccccc2)CCC1
214185012	ZINC000053473261	high	7.18	-45.95	-1	349.434	2.992	1	3	5	Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NC1(c2ccccc2)CCC1
282122462	ZINC000333307603	high	5.09	-13.76	0	317.437	1.425	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C1CCCC1)CC2
342595671	ZINC000616964000	ref	3.36	-20.2	0	264.3	1.324	2	2	4	C[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1F
365634316	ZINC000354705503	mid	2.76	-30.59	1	286.46	1.705	3	3	8	C[C@@H](O)CCCN1CC[N@H+](CCC[C@@H](C)O)C(C)(C)C1
187169683	ZINC000125097819	ref	6.74	-8.24	0	291.347	2.216	1	4	6	CC[C@@H](NC(=O)C1(C(=O)OC)CC1)c1ccc(OC)cc1
187169684	ZINC000125101351	ref	8.45	-9.39	0	265.328	2.765	0	2	7	C=CCCO[C@@H](C)C(=O)N(C)Cc1ccccc1F
214185018	ZINC000053475276	ref	6.59	-10.72	0	326.396	2.838	2	3	5	CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCc2ccccc21
214185022	ZINC000053469163	ref	6.12	-20.21	0	344.39	1.484	2	4	7	N#Cc1c(F)cccc1NCCNC(=O)[C@@H]1CC(=O)N(CC2CC2)C1
398248995	ZINC000650875150	ref	1.12	-9.56	0	273.308	1.318	3	4	7	CC(C)c1cc(CNC(=O)N[C@@H](CO)CCF)on1
168366076	ZINC000043379317	ref	2.31	-44.31	1	193.172	1.334	1	2	2	C[C@@H]([NH3+])[C@@H](n1cccn1)C(F)(F)F
398248999	ZINC000650870817	ref	4.14	-13.4	0	284.4	1.602	2	3	3	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C
343993883	ZINC000079914720	mid	8.53	-44.65	1	291.395	2.402	2	4	6	CCOC(=O)c1ccc(NCC[N@H+]2CCC[C@H](C)C2)nc1
398249003	ZINC000650875658	ref	5.18	-17.88	0	279.384	1.628	2	2	4	CC(C)N1CC[C@H](NC(=O)NC2(C3CCC3)CC2)C1=O
398249006	ZINC000650875151	ref	1.12	-9.72	0	273.308	1.318	3	4	7	CC(C)c1cc(CNC(=O)N[C@H](CO)CCF)on1
398249011	ZINC000650875279	ref	3.51	-16.25	0	294.355	1.22	2	4	6	CC(C)c1cc(CNC(=O)NCCN2CCCC2=O)on1
398249016	ZINC000650874526	ref	5.06	-9.64	0	286.391	1.691	0	3	3	CC(C)[C@H](C(=O)N1CC[C@H](F)C1)N1C[C@H](C)O[C@H](C)C1
192037565	ZINC000418462815	ref	2.76	-51.71	1	231.365	0.728	2	2	4	C[C@@H](C[NH3+])CNC(=O)N(C)[C@H]1CCSC1
192037567	ZINC000418429372	ref	0.88	-38.52	1	223.267	0.924	3	1	6	CC(C)C[C@H](C[NH3+])NC(=O)NCC(F)F
178301751	ZINC000237193453	ref	6.2	-52.98	1	372.513	1.721	2	3	6	CN1CCN(C(=O)Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1
214184996	ZINC000293573747	ref	8.1	-24.68	0	353.423	0.8	0	7	4	C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COCc1nncn1C
178301755	ZINC000237193453	mid	8.55	-95.66	2	372.513	1.721	3	2	6	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1
398249020	ZINC000650874526	mid	7.19	-37.25	1	286.391	1.691	1	2	3	CC(C)[C@H](C(=O)N1CC[C@H](F)C1)[N@@H+]1C[C@H](C)O[C@H](C)C1
230236636	ZINC000338332759	ref	-2.09	-13.93	0	264.232	-1.492	3	3	3	CNC(=O)NC1CN(C(=O)C(=O)NCC(F)F)C1
398249024	ZINC000650874526	mid	7.21	-38.96	1	286.391	1.691	1	2	3	CC(C)[C@H](C(=O)N1CC[C@H](F)C1)[N@H+]1C[C@H](C)O[C@H](C)C1
178301758	ZINC000237185456	ref	4.25	-51.47	1	359.474	1.642	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)NC[C@H]3CCC[NH2+]C3)c(C)c12
432002731	ZINC000129249222	ref	6.55	-10.29	0	306.431	3.148	0	3	4	CC(C)C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1C#N
432002732	ZINC000129235388	ref	8.39	-13.21	0	310.397	3.124	1	2	5	Cc1cc(=O)[nH]cc1C(=O)N(Cc1ccccc1)[C@@H](C)C1CC1
192037569	ZINC000418465277	ref	4.75	-45.48	1	227.352	1.57	2	1	6	CCC[NH2+]CCNC(=O)N1CCC[C@@H]1CC
178301761	ZINC000237194421	ref	10.86	-70.2	-1	367.405	1.635	1	6	7	CCn1c(=O)n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c2ccccc21
192037571	ZINC000418431033	ref	3.75	-48.13	1	241.379	1.944	2	1	5	CCC([NH3+])(CC)CNC(=O)N1CC[C@@H]1C(C)C
230236649	ZINC000338173251	ref	0.03	-24.24	0	268.273	-1.039	2	6	5	Cc1cc(COCC(=O)N[C@H]2CN(C)NC2=O)on1
230236660	ZINC000336894073	ref	-2.65	-53.99	1	265.379	-1.154	2	4	8	CNS(=O)(=O)CC[NH2+][C@H]1CCN(CCOC)C1
230236673	ZINC000336894073	high	-3.82	-11.61	0	265.379	-1.154	2	5	8	CNS(=O)(=O)CCN[C@H]1CCN(CCOC)C1
214185001	ZINC000337623257	ref	1.86	-14.98	0	264.329	0.886	2	4	2	Cn1ncc2c1CCC[C@H]2NC(=O)N[C@H]1CCOC1
365634312	ZINC000172888354	ref	2.58	-13.74	0	296.342	1.501	1	4	6	COC[C@@H]1CN(CCC(=O)Nc2cccc(F)c2)CCO1
342595672	ZINC000616963997	ref	0.24	-17.66	0	277.305	1.021	2	5	3	O=C(N[C@@H]1CCNC1=O)c1csc(-c2ccoc2)n1
178301754	ZINC000022130389	ref	6.48	-39.07	1	203.249	1.485	4	1	1	Cc1cc2nc(NC(N)=[NH2+])[nH]c2cc1C
192037566	ZINC000273074528	ref	3.21	-15.12	0	266.297	0.714	2	4	4	COC(=O)C1(CNC(=O)c2cc[nH]c2)CCOCC1
365634323	ZINC000172888354	mid	5.01	-50.21	1	296.342	1.501	2	3	6	COC[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CCO1
178301759	ZINC000026462179	ref	4.06	-9.42	0	218.3	2.495	2	2	4	Cc1cc2nc(CCCCO)[nH]c2cc1C
349534743	ZINC000093261302	ref	1.22	-41.1	1	293.367	0.795	3	4	6	CC[C@@H](O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1
342595673	ZINC000616963703	ref	4.32	-15.68	0	266.385	1.988	2	2	5	CC[C@@H](CC1CCCCC1)C(=O)N[C@@H]1CCNC1=O
342595674	ZINC000616963901	ref	3.74	-18.73	0	278.377	1.562	2	3	5	CC[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CCNC1=O
365634328	ZINC000172888354	mid	4.96	-50.18	1	296.342	1.501	2	3	6	COC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2)CCO1
187169685	ZINC000125097904	ref	6.88	-50.77	1	279.277	3.217	1	1	6	COC[C@@H](C)C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
192037568	ZINC000273073087	ref	1.41	-12.02	0	279.336	0.887	2	4	6	Cc1cccc(OC[C@@H](O)CNC(=O)C2(C)COC2)c1
365639164	ZINC000641608663	mid	6.44	-42.97	1	298.394	1.409	1	5	2	Cn1nccc1-c1ccc(N2CC[C@@]3(CC[N@@H+](C)C3)C2)nn1
187169686	ZINC000125096927	ref	5.39	-11.15	0	270.279	2.606	1	2	1	C[C@H]1[C@@H](C)OCCN1C(=O)Nc1c(F)cccc1F
187169687	ZINC000125100140	ref	6.55	-12.68	0	283.291	2.248	0	7	5	CCOc1cc(Oc2cccc(-n3cncn3)c2)ncn1
187169688	ZINC000125101220	ref	2.6	-13.83	0	299.233	1.774	0	7	6	Cc1nc(COC(=O)c2cccc(OCC(F)F)n2)no1
365639166	ZINC000641608663	high	3.78	-10.93	0	298.394	1.409	0	6	2	CN1CC[C@@]2(CCN(c3ccc(-c4ccnn4C)nn3)C2)C1
178301766	ZINC000026462179	mid	4.51	-29.74	1	218.3	2.495	2	1	4	Cc1cc2[nH]c(CCCCO)[nH+]c2cc1C
185088787	ZINC000096073511	ref	2.83	-6.05	0	280.343	1.991	0	4	3	CO[C@@H]1CO[C@]2(CCCN(Cc3ccncc3F)C2)C1
214185004	ZINC000337623286	ref	5.62	-41.65	1	255.387	2.294	2	3	6	CCc1nc(C)c(NC(=O)C[NH+](CC)CC)s1
342595675	ZINC000616963978	ref	5.7	-18.57	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1
342078888	ZINC000625297118	ref	7.65	-38.61	1	268.401	1.744	1	2	5	CCO[C@@H](C[N@@H+]1CCN(C(C)=O)CC1(C)C)C1CC1
178301763	ZINC000082797983	ref	3.77	-34.77	0	260.384	2.124	1	5	5	Cc1csc(S[C@@H](C)C[C@@](C)([NH3+])C(=O)[O-])n1
178301765	ZINC000082798370	ref	2.76	-49.31	1	261.774	2.24	1	2	4	C[C@H]([NH3+])C[C@@H](C)S(=O)(=O)c1ccc(Cl)cc1
192037570	ZINC000273074926	ref	2.1	-58.43	1	261.325	0.385	3	2	4	CNC(=O)c1cccc(C(=O)NC[C@H]2CC[NH2+]C2)c1
185088789	ZINC000096073511	mid	5.69	-39.83	1	280.343	1.991	1	3	3	CO[C@@H]1CO[C@]2(CCC[N@H+](Cc3ccncc3F)C2)C1
178301767	ZINC000082798421	ref	3.83	-41.9	1	261.412	2.298	1	3	6	CC[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)c1cccs1
342078889	ZINC000625297118	mid	7.72	-40.34	1	268.401	1.744	1	2	5	CCO[C@@H](C[N@H+]1CCN(C(C)=O)CC1(C)C)C1CC1
342078890	ZINC000625297118	high	5.77	-8.21	0	268.401	1.744	0	3	5	CCO[C@@H](CN1CCN(C(C)=O)CC1(C)C)C1CC1
185088791	ZINC000096073511	mid	5.53	-40.66	1	280.343	1.991	1	3	3	CO[C@@H]1CO[C@]2(CCC[N@@H+](Cc3ccncc3F)C2)C1
185088793	ZINC000096072867	ref	6.9	-23.22	0	292.339	0.39	0	6	2	O=C([C@H]1CCCO1)N1CC[C@]2(C[C@H](n3cnnc3)CO2)C1
178301777	ZINC000082797359	ref	2.66	-14.47	0	264.416	1.044	1	5	7	CN[C@@](C)(C#N)C[C@@H](C)SCCS(C)(=O)=O
185088795	ZINC000096072151	ref	8.83	-39.43	1	297.402	2.569	1	3	3	Cn1cc(C[N@@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1
342078891	ZINC000625297028	ref	1.21	-46.17	1	251.33	1.39	1	4	5	COc1cncc(C[NH2+][C@H](C)C2CCOCC2)n1
185088797	ZINC000096072151	mid	8.91	-41.22	1	297.402	2.569	1	3	3	Cn1cc(C[N@H+]2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1
185088799	ZINC000096072151	mid	6.19	-6.86	0	297.402	2.569	0	4	3	Cn1cc(CN2CC[C@@]3(C[C@H](c4ccccc4)CO3)C2)cn1
190493644	ZINC000269431409	ref	4.71	-10.22	0	257.333	2.44	2	2	4	C[C@H](C(=O)N[C@H](C)CO)c1ccc2ccccc2c1
342078892	ZINC000625297028	high	0.13	-5.9	0	251.33	1.39	1	5	5	COc1cncc(CN[C@H](C)C2CCOCC2)n1
136229207	ZINC000292822068	mid	5.34	-38.5	1	208.305	0.858	2	1	4	C#CCNC(=O)CC[N@@H+]1CCC(C)(C)C1
342088362	ZINC000121435000	low	9.52	-38.08	1	267.332	1.585	1	2	4	O=C(Cn1cc[nH+]c1)NC[C@@H]1[C@H]2Cc3ccccc3[C@H]21
190493645	ZINC000269431729	ref	5.31	-8.1	0	262.353	2.361	1	3	7	CC(C)c1ccc(C(=O)NCCOCC2CC2)cn1
136229208	ZINC000292807012	ref	1.25	-8.45	0	243.694	0.59	2	4	6	C=C[C@@H](CO)NC(=O)CCn1cc(Cl)cn1
178301788	ZINC000082796523	ref	3.91	-45.85	1	260.337	1.169	2	2	3	O=C(NC[C@@H]1CCCO1)[C@@H]1C[NH2+]Cc2ccccc21
136229209	ZINC000232467093	ref	-0.26	-10.49	0	209.192	0.098	2	3	6	CC(=O)CCC(=O)NC[C@H](O)C(F)F
342595676	ZINC000616964199	ref	4.17	-16.63	0	292.404	1.955	2	3	3	O=C1NCC[C@@H]1NC(=O)C1(c2cccs2)CCCCC1
342595677	ZINC000616963397	ref	2.72	-14.83	0	297.152	1.376	2	2	2	Cc1ccc(Br)cc1C(=O)N[C@@H]1CCNC1=O
342595678	ZINC000616963704	ref	4.32	-15.67	0	266.385	1.988	2	2	5	CC[C@@H](CC1CCCCC1)C(=O)N[C@H]1CCNC1=O
342595679	ZINC000616963998	ref	0.24	-17.64	0	277.305	1.021	2	5	3	O=C(N[C@H]1CCNC1=O)c1csc(-c2ccoc2)n1
214185002	ZINC000293581802	ref	5.39	-17.12	0	350.448	0.681	0	7	3	CC[C@@H]1CN(C(=O)c2nnn(-c3ccn(C)n3)c2C)C[C@H](C)[S@@]1=O
214185009	ZINC000293583243	ref	4.2	-42.36	1	361.45	0.276	3	7	8	Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)nnn1-c1ccn(C)n1
365634314	ZINC000641601098	ref	0.84	-7.2	0	250.342	1.563	2	4	5	CCC[C@@]1(CO)CCN(c2cc(CO)ccn2)C1
192037572	ZINC000273075122	ref	3.78	-8.03	0	290.363	2.31	1	4	4	C[C@H]1OCC[C@@H]1NC(=O)c1ccc(OC2CCCC2)nc1
187169689	ZINC000125093135	ref	8.58	-36.42	1	266.41	2.438	1	2	5	CC[C@@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C1
187169690	ZINC000125093135	mid	8.65	-36.81	1	266.41	2.438	1	2	5	CC[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2cccs2)C1
168366081	ZINC000082844550	ref	-0.05	-47.5	1	155.201	-0.199	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1cncn1C
192037574	ZINC000273073709	ref	4.62	-15.01	0	298.408	1.604	1	3	6	COc1cccc(CN(C)C(=O)N[C@@H](C)C[S@@](C)=O)c1
192037576	ZINC000273074104	ref	5.37	-10.07	0	266.341	1.908	1	4	5	COC1(C(=O)N[C@H](C)Cc2c(C)noc2C)CCC1
192037578	ZINC000273074258	ref	5.16	-56.12	1	291.395	1.764	2	2	5	CN(C)C(=O)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)[nH]1
192037580	ZINC000273074258	high	3.98	-10.99	0	291.395	1.764	2	3	5	CN(C)C(=O)c1ccc(CN[C@]2(C)CCO[C@H]2C2CC2)[nH]1
192037582	ZINC000273073701	ref	5.39	-56.15	1	275.381	1.316	1	5	5	c1cncc(Cn2cc(C[NH2+][C@H]3CCSC3)nn2)c1
192037584	ZINC000273073701	mid	4.16	-16.32	0	275.381	1.316	1	6	5	c1cncc(Cn2cc(CN[C@H]3CCSC3)nn2)c1
192037586	ZINC000273073558	ref	3.22	-18.2	0	275.312	1.7	2	5	5	CCc1nc(CCNC(=O)Nc2ccc(C)cn2)no1
192037588	ZINC000273073559	ref	3.96	-45.38	1	289.379	1.245	2	3	6	C[C@]1([NH2+]CC(=O)NCc2cccnc2)CCO[C@@H]1C1CC1
192037590	ZINC000273073559	high	2.8	-9.58	0	289.379	1.245	2	4	6	C[C@]1(NCC(=O)NCc2cccnc2)CCO[C@@H]1C1CC1
192037592	ZINC000273074211	ref	6.07	-17.07	0	287.363	1.53	1	3	3	CNC(=O)[C@@H]1CCCCN1C(=O)/C=C/c1cnccc1C
192037594	ZINC000273075729	ref	4.64	-10.39	0	257.359	2.593	1	5	8	CCCCCCC(=O)Nc1nc(COC)ns1
343993885	ZINC000079914720	high	6.11	-5.99	0	291.395	2.402	1	5	6	CCOC(=O)c1ccc(NCCN2CCC[C@H](C)C2)nc1
343993887	ZINC000079914220	ref	5.84	-15.11	0	282.405	2.087	0	3	8	COCCOCC[S@](=O)Cc1ccc2c(c1)CCC2
178301764	ZINC000237193961	ref	5.24	-50.18	1	355.236	1.241	2	3	4	C[NH2+]CC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
365634318	ZINC000354705503	mid	2.59	-31.47	1	286.46	1.705	3	3	8	C[C@@H](O)CCCN1CC[N@@H+](CCC[C@@H](C)O)C(C)(C)C1
365634324	ZINC000457191148	ref	10.02	-24.72	0	293.327	1.439	1	6	6	CC(C)(CNC(=O)Cn1cnc([N+](=O)[O-])n1)C1=CCCC1
178301768	ZINC000237193961	high	3.79	-17.06	0	355.236	1.241	2	4	4	CNCC(=O)N1CCC(C(=O)Nc2ccc(Br)cn2)CC1
365634331	ZINC000354704652	ref	4.79	-15.52	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1C[C@H]1c1c(F)cccc1F
398249012	ZINC000095297915	mid	0.67	-9.47	0	239.279	0.122	2	5	5	COCCC(=O)NC1(c2nn[nH]n2)CCCC1
214185007	ZINC000278486472	ref	7.8	-10.63	0	317.433	3.072	1	4	4	CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCCCC2)nc1
178301770	ZINC000237193366	ref	3.9	-53.08	1	360.52	1.064	1	4	8	COCCCN(C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CCS(=O)(=O)C1
343993891	ZINC000079916944	ref	5.01	-14.96	0	292.379	2.314	1	4	8	C[C@H](C[C@H]1CCCO1)NC(=O)CCCOc1cccnc1
343993895	ZINC000079916303	ref	7.33	-19.69	0	278.306	2.135	0	4	4	CN(Cc1cccc(F)c1F)Cc1nnc2n1CCC2
178301772	ZINC000237178955	ref	3.49	-53.54	1	372.263	1.438	3	3	9	COCC[NH2+]CC(=O)NCCC(=O)Nc1cc(Br)ccc1C
343993899	ZINC000079918891	ref	3.97	-7.97	0	257.337	2.174	1	4	6	Cc1cnc(CN(CCCO)c2ccccc2)cn1
214190609	ZINC000337635607	ref	4.15	-28.19	0	297.355	0.556	2	5	7	CCN(CCOCCO)C(=O)Nc1c(C)ccn(C)c1=O
178301774	ZINC000237178955	high	2.14	-20.88	0	372.263	1.438	3	4	9	COCCNCC(=O)NCCC(=O)Nc1cc(Br)ccc1C
365634334	ZINC000354703959	ref	7.33	-13.5	0	266.385	1.892	0	2	2	C[C@H]1C[C@@H](C)CN(C(=O)CN2CCCCC2=O)[C@H]1C
365634337	ZINC000354704202	ref	1.5	-8.22	0	296.367	1.718	1	5	4	Cc1oc(C(C)C)nc1C(=O)N1CCOC[C@@H]1C[C@H](C)O
178301775	ZINC000237190035	ref	9.73	-66.59	1	358.442	1.86	1	6	6	COC(=O)COc1c(C)cc(C[NH2+][C@H]2CCc3nc(C)nn3C2)cc1C
349534747	ZINC000602430160	mid	6.81	-48.85	1	232.327	2.764	2	2	6	C[C@@H](CCC#N)C[N@@H+](C)Cc1cccc(O)c1
187169691	ZINC000125093135	high	6.27	-8.81	0	266.41	2.438	0	3	5	CC[C@@H]1CCN(CC(=O)N(C)Cc2cccs2)C1
365634341	ZINC000354703810	ref	8.14	-44.42	1	278.4	1.953	2	4	6	C[C@@H](O)CCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1
365634320	ZINC000641601098	low	0.91	-31.56	1	250.342	1.563	2	3	5	CCC[C@@]1(CO)CCN(c2cc(CO)cc[nH+]2)C1
136229210	ZINC000097441666	ref	2.07	-8.87	0	224.304	1.205	2	3	5	C[C@H](CCO)CNC(=O)C1(C#N)CCCC1
136229211	ZINC000232465836	ref	6.82	-37.93	1	230.355	2.479	2	1	5	c1ccc([C@H](NC[C@H]2CCC[NH2+]2)C2CC2)cc1
365634325	ZINC000641601654	ref	0.96	-9.63	0	298.144	1.047	2	5	5	COc1ncc(Br)c(NCCc2cn[nH]c2)n1
214185006	ZINC000337623286	mid	3.57	-8.83	0	255.387	2.294	1	4	6	CCc1nc(C)c(NC(=O)CN(CC)CC)s1
365634332	ZINC000641601514	ref	2.49	-11.12	0	298.408	1.529	1	4	5	C[C@H]1COCC[C@H]1S(=O)(=O)NC[C@@H](C)c1ccccn1
365634340	ZINC000641599036	ref	-3.05	-46.59	-1	271.361	1.378	1	5	7	CCC(C)(C)c1n[n-]c(=NCC(C)(C)OCCO)o1
365634343	ZINC000641601193	ref	4.02	-9.19	0	298.346	1.33	2	5	5	NC(=O)c1cc(NC[C@H]2CC[C@H](c3ccccc3)O2)ncn1
365634351	ZINC000641601766	ref	4.31	-42.16	1	265.361	1.108	3	4	8	CCCC[N@H+](C)C[C@@H](C)Nc1cc(C(N)=O)ncn1
214185010	ZINC000337620860	ref	4.61	-12.85	0	277.345	3.088	2	4	4	Cc1cc(NC(=O)COc2ccsc2)cc(C)c1O
365634355	ZINC000641601766	mid	4.32	-42.08	1	265.361	1.108	3	4	8	CCCC[N@@H+](C)C[C@@H](C)Nc1cc(C(N)=O)ncn1
398249022	ZINC000286154308	ref	-0.97	-5.9	0	213.277	0.201	3	3	6	C=CC[C@@H](CO)NC(=O)[C@@](C)(O)C1CC1
343993886	ZINC000139294122	ref	2.0	-9.35	0	161.164	0.328	0	4	0	Cn1ncc2ncccc2c1=O
295666288	ZINC000373770590	ref	7.69	-9.31	0	344.455	3.117	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCO[C@H]2CCC[C@H]21
365634359	ZINC000641599012	ref	3.27	-11.11	0	287.367	1.404	2	6	3	Cn1nccc1-c1ccc(N[C@@H]2CCCCC[C@H]2O)nn1
365634363	ZINC000641600881	ref	1.56	-14.39	0	277.368	1.316	2	4	5	CC(=O)NCC[C@@H]1CCCN(c2cc(CO)ccn2)C1
306234653	ZINC000557903711	ref	6.87	-10.1	0	345.403	1.819	1	7	7	CCOC(=O)C(C)(C)CC(=O)N[C@H](C)c1nnnn1-c1ccccc1
365634364	ZINC000641600881	low	2.02	-38.19	1	277.368	1.316	2	3	5	CC(=O)NCC[C@@H]1CCCN(c2cc(CO)cc[nH+]2)C1
365639172	ZINC000641602514	ref	7.33	-45.46	1	288.399	1.44	2	5	6	CC(C)[N@@H+](C)C[C@H](C)Nc1ccc(-c2ccnn2C)nn1
365639178	ZINC000641602514	mid	7.01	-45.54	1	288.399	1.44	2	5	6	CC(C)[N@H+](C)C[C@H](C)Nc1ccc(-c2ccnn2C)nn1
343993889	ZINC000139220327	ref	4.54	-6.98	0	140.186	0.918	0	3	3	CO[C@@H](C)Cn1ccnc1
349534748	ZINC000594969766	high	4.83	-13.23	0	299.411	2.614	1	3	5	COc1ccc(F)cc1CN[C@@H]1CCC[C@@H]([S@](C)=O)C1
365639182	ZINC000641602343	ref	3.16	-11.59	0	293.429	1.632	0	4	8	CCO[C@@]1(CS(=O)(=O)N(CC)[C@H](C)CC)CCOC1
178301769	ZINC000005798762	ref	8.21	-12.44	0	213.284	2.875	0	3	2	Cc1cc2nc(C)n(CCC#N)c2cc1C
365634335	ZINC000123127730	low	7.72	-39.49	1	296.455	2.238	1	2	5	CCC[C@H](C(=O)N1C[C@@H]([NH+]2CCOCC2)[C@H](C)C1)C(C)C
214185011	ZINC000278486498	ref	8.22	-9.86	0	321.373	3.317	0	5	6	COC[C@H](OC(=O)[C@H]1C[C@H]1c1ccc(F)cc1)c1nccs1
365634338	ZINC000123034832	ref	6.76	-10.5	0	280.755	2.384	1	2	6	C#CCNC(=O)N(C)CCCOc1ccc(Cl)cc1
214185015	ZINC000278486431	ref	6.81	-15.5	0	316.357	1.637	1	4	5	CC(C)C(=O)NCCN(C)C(=O)c1cc2ccccc2c(=O)o1
214185019	ZINC000278485999	ref	5.66	-61.51	-1	323.374	2.373	0	6	5	COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1noc(C2CC2)n1
214185024	ZINC000278485999	low	5.47	-13.89	0	323.374	2.373	1	6	5	COc1cc(C)cc(C)c1S(=O)(=O)Nc1noc(C2CC2)n1
214185027	ZINC000278484795	ref	2.01	-42.13	1	306.225	2.142	2	3	5	OCC[C@@]1([NH2+]Cc2cc(Br)cs2)CCOC1
214185028	ZINC000278484795	high	0.95	-4.8	0	306.225	2.142	2	4	5	OCC[C@@]1(NCc2cc(Br)cs2)CCOC1
214185031	ZINC000278486415	ref	7.87	-42.08	1	305.426	1.598	2	5	4	CC(C)[NH+]1CCC(Nc2cc(N3CCOCC3)ncn2)CC1
365634345	ZINC000123020319	ref	8.06	-38.72	1	292.423	2.032	1	2	2	O=C(C[N@@H+]1CCC2(CCC2)C1)N1CCO[C@H]2CCCC[C@@H]21
365634349	ZINC000123020319	mid	5.43	-6.35	0	292.423	2.032	1	2	2	O=C(C[N@H+]1CCC2(CCC2)C1)N1CCO[C@H]2CCCC[C@@H]21
214185034	ZINC000278486415	low	8.22	-83.98	2	305.426	1.598	2	4	4	CC(C)[NH+]1CCC(Nc2cc(N3CCOCC3)[nH+]cn2)CC1
365634354	ZINC000123020319	high	5.43	-6.35	0	292.423	2.032	0	3	2	O=C(CN1CCC2(CCC2)C1)N1CCO[C@H]2CCCC[C@@H]21
192339532	ZINC000421445252	ref	4.56	-11.28	0	249.339	1.902	1	4	4	C[C@H](C(=O)NCc1cccs1)c1ccnn1C
178301776	ZINC000005798762	low	8.65	-36.4	1	213.284	2.875	0	2	2	Cc1cc2[nH+]c(C)n(CCC#N)c2cc1C
192339537	ZINC000421441803	ref	4.44	-16.37	0	238.331	1.207	2	2	6	CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CC12CC2
192339540	ZINC000421443813	ref	6.84	-6.9	0	209.333	2.727	1	1	4	CC[C@H](C)[C@H](C)NC(=O)[C@]12CCC[C@H]1C2
192339543	ZINC000421442004	ref	5.58	-12.68	0	223.32	1.638	0	3	4	CC(C)CN(C)C(=O)[C@@H](C)c1ccnn1C
365634358	ZINC000123089133	ref	6.33	-13.5	0	287.363	2.168	2	3	5	CCc1ccc(CC)c(NC(=O)C(=O)N[C@H](C)CC#N)c1
187169692	ZINC000125100065	ref	4.72	-10.93	0	267.394	2.581	2	3	6	CC[C@H](SC)C(=O)N[C@H](C)Cc1ccc(O)cc1
192339547	ZINC000421444532	ref	7.42	-6.64	0	221.344	2.729	1	1	3	C[C@@H]1CCCC[C@H]1CNC(=O)[C@@H]1CC12CC2
192339550	ZINC000421445317	ref	8.17	-6.18	0	249.398	3.365	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
214185013	ZINC000293583243	mid	3.71	-45.09	1	361.45	0.276	3	7	8	Cc1c(C(=O)NCCCC[N@H+]2CCC[C@H]2CO)nnn1-c1ccn(C)n1
365634336	ZINC000623065336	mid	3.38	-62.93	0	312.373	1.139	1	3	1	O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@@]2(CC[NH2+]C2)C1
214185017	ZINC000293576553	ref	4.61	-18.29	0	362.365	0.878	1	7	4	COc1ccc(NC(=O)C(=O)N2CCC[C@@H]2CF)cc1-n1nnnc1C
349534749	ZINC000618814012	ref	4.41	-24.41	0	291.33	1.292	0	5	4	CN(Cc1cn(C)nn1)C(=O)c1ccc(N(C)C)c(F)c1
342595680	ZINC000616964089	ref	2.76	-16.84	0	286.253	1.253	2	2	3	O=C(Cc1ccccc1C(F)(F)F)N[C@@H]1CCNC1=O
398249023	ZINC000367212506	mid	6.71	-88.45	2	242.363	1.162	2	2	5	COC(C[NH+](C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C)OC
365634339	ZINC000623066058	ref	0.04	-58.38	1	309.366	1.021	3	4	4	COc1cc(NC(=O)N2CCC(O)(C[NH3+])CC2)cc(OC)c1
342595681	ZINC000616963678	ref	3.07	-20.87	0	264.3	1.108	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1cccc(F)c1
365634344	ZINC000623066263	ref	4.53	-45.08	1	321.425	1.383	2	4	5	COCCn1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1
349534751	ZINC000618814213	ref	6.97	-20.61	0	290.342	1.791	0	4	5	C[C@H](Cc1cccc(F)c1)C(=O)N(C)Cc1cn(C)nn1
365634348	ZINC000623066207	ref	2.26	-56.03	1	318.377	1.407	3	3	5	CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)C(=O)NC2=O
349534756	ZINC000618813130	ref	6.63	-23.69	0	297.362	1.806	1	4	4	Cc1cccc2c(CC(=O)N(C)Cc3cn(C)nn3)c[nH]c12
365634350	ZINC000623066207	high	0.45	-83.14	0	318.377	1.407	2	3	5	CC(C)[C@H]([NH3+])CCN(C)C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365634353	ZINC000623066404	ref	4.6	-50.66	1	307.785	1.601	2	4	4	C[C@H](NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C)[C@@H](C)[NH3+]
365634357	ZINC000623066217	ref	4.25	-39.6	1	304.213	1.73	1	3	3	C[NH2+]C[C@@H]1CCCN1C(=O)c1ncc(Br)s1
342595682	ZINC000616964310	ref	0.75	-18.9	0	250.279	1.113	2	4	2	O=C(N[C@@H]1CCNC1=O)c1cc2occc2s1
190493649	ZINC000269433159	ref	6.69	-11.56	0	266.293	2.178	0	5	4	COc1ccc(OC(=O)[C@@H]2CCCCO2)cc1OC
187169694	ZINC000125101588	ref	7.6	-13.92	0	265.303	3.127	1	1	3	CC1(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CCC1
349534761	ZINC000618812668	ref	5.58	-11.63	0	284.319	1.25	0	5	3	CN(Cc1cn(C)nn1)C(=O)C1=Cc2ccccc2OC1
342595683	ZINC000334225750	ref	4.53	-8.9	0	267.369	1.995	0	3	3	C=CCC(C)(C)C(=O)N1C[C@@H](C)O[C@@]2(CCOC2)C1
187169695	ZINC000125100460	ref	4.62	-41.61	1	279.277	3.095	2	1	5	CC[C@](C)(CO)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
192339535	ZINC000273863738	low	4.52	-45.08	1	284.306	1.692	2	2	2	C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@H]1[NH+](C)C
192339538	ZINC000273863338	ref	2.77	-14.38	0	254.286	2.063	0	4	3	Cc1cc(F)ccc1-c1nc(C[S@@](C)=O)no1
178301778	ZINC000237190035	high	8.55	-15.1	0	358.442	1.86	1	7	6	COC(=O)COc1c(C)cc(CN[C@H]2CCc3nc(C)nn3C2)cc1C
342078893	ZINC000625300224	ref	6.33	-52.14	1	266.295	1.987	1	3	5	C[C@H]([NH2+]CCc1cn(C)nn1)c1ccc(F)cc1F
343993890	ZINC000599270277	ref	7.08	-6.02	0	287.425	1.782	0	5	7	CCOC(=O)[C@@H]1CSCCN1C[C@H](OCC)C1CC1
343993892	ZINC000599270277	low	9.19	-36.16	1	287.425	1.782	1	4	7	CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@H](OCC)C1CC1
342078894	ZINC000625300224	high	5.2	-11.54	0	266.295	1.987	1	4	5	C[C@H](NCCc1cn(C)nn1)c1ccc(F)cc1F
192339551	ZINC000273861479	ref	4.04	-7.86	0	265.357	2.091	1	5	6	Cc1cnc(C)c(NCCCOC2CCOCC2)n1
192339553	ZINC000273864435	ref	5.15	-14.01	0	270.292	2.636	0	6	3	Cc1ccnc(-c2noc(Cc3c(C)noc3C)n2)c1
192339554	ZINC000273863309	ref	2.83	-15.75	0	256.352	1.909	0	5	4	Cc1ccc(Cc2nc(C[S@@](C)=O)no2)s1
192339556	ZINC000273863230	ref	3.83	-17.37	0	290.344	2.978	0	5	3	Cc1c(-c2nc(C[S@](C)=O)no2)oc2c(C)cccc12
192339559	ZINC000273862173	ref	5.66	-13.4	0	298.386	2.802	2	2	3	CC1(CO)CCN(C(=O)/C=C/c2ccc3[nH]ccc3c2)CC1
192339562	ZINC000273862001	ref	5.99	-14.02	0	278.352	1.975	1	4	6	CC(=O)[C@@H]1C[C@H](CC(=O)NCCc2ccon2)C1(C)C
343993894	ZINC000599270277	low	8.79	-33.92	1	287.425	1.782	1	4	7	CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@H](OCC)C1CC1
192339568	ZINC000273863038	ref	6.98	-8.38	0	266.341	3.094	0	4	5	CS[C@@H](C)Cc1nc(Cc2cccc(F)c2)no1
192339571	ZINC000273863893	ref	6.67	-7.11	0	264.325	2.236	1	5	4	CC(C)OC(=O)c1cccnc1N[C@@H]1CCO[C@@H]1C
192339573	ZINC000273864135	ref	6.6	-19.54	0	267.394	2.283	0	2	5	CCN(C)C(=O)C[S@](=O)[C@@H](C)c1cccc(C)c1
192339576	ZINC000273864525	ref	4.97	-9.02	0	295.408	3.209	0	6	8	CCOCCCc1nc(Cc2csc(C(C)C)n2)no1
365639174	ZINC000354712163	ref	6.79	-42.44	1	297.443	1.481	2	2	7	CC(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)CC1CCCCC1
192339579	ZINC000273863899	ref	6.36	-7.81	0	267.283	2.321	0	5	4	Cc1cnc(C)c(N(C)Cc2nccn2C(F)F)n1
349535962	ZINC000594973700	high	6.69	-11.09	0	270.304	2.831	1	4	7	COc1ccc(CNCCC(C)(C)F)cc1[N+](=O)[O-]
192339582	ZINC000273863730	ref	1.57	-7.17	0	291.351	0.95	2	4	2	Cc1ncccc1NC(=O)C(=O)N1CCC(C)(CO)CC1
192339585	ZINC000273863153	ref	0.36	-20.42	0	259.306	-0.107	3	4	8	CCCC[C@@H](NC(=O)CCNC(N)=O)C(=O)OC
365634342	ZINC000354703810	mid	7.69	-45.31	1	278.4	1.953	2	4	6	C[C@@H](O)CCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1
365634346	ZINC000354703810	high	5.75	-10.29	0	278.4	1.953	1	5	6	C[C@@H](O)CCCN1CCC[C@H](c2nncn2C2CC2)C1
365634347	ZINC000354703860	ref	7.07	-14.55	0	258.325	1.657	1	4	4	Cc1cccc([C@@H](C)CNC(=O)c2ncn(C)n2)c1
365634352	ZINC000354703858	ref	7.08	-14.6	0	258.325	1.657	1	4	4	Cc1cccc([C@H](C)CNC(=O)c2ncn(C)n2)c1
365634356	ZINC000354704708	ref	2.94	-11.07	0	275.352	1.733	2	3	5	CC(C)c1cccc(C(=O)NC2(CC(N)=O)CCC2)n1
365634360	ZINC000354703967	ref	4.72	-8.62	0	265.256	1.24	1	4	8	C/C=C\C[C@@H](NC(=O)COC(F)F)C(=O)OCC
365634362	ZINC000354705044	ref	6.12	-18.14	0	294.318	1.161	0	6	3	O=C(c1ccccc1-n1cccn1)N1CC(n2ccnn2)C1
365634365	ZINC000354705501	ref	2.74	-31.5	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@H+](CCC[C@H](C)O)CC1(C)C
187169696	ZINC000125100460	high	3.36	-4.4	0	279.277	3.095	2	2	5	CC[C@](C)(CO)NCc1cc(F)cc(C(F)(F)F)c1
365634368	ZINC000354705501	mid	2.61	-30.33	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@@H+](CCC[C@H](C)O)CC1(C)C
365634369	ZINC000354705501	mid	2.74	-31.5	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@H+](CCC[C@H](C)O)C(C)(C)C1
365634371	ZINC000354705501	mid	2.61	-30.33	1	286.46	1.705	3	3	8	C[C@H](O)CCCN1CC[N@@H+](CCC[C@H](C)O)C(C)(C)C1
365634372	ZINC000354704201	ref	1.92	-7.59	0	296.367	1.718	1	5	4	Cc1oc(C(C)C)nc1C(=O)N1CCOC[C@H]1C[C@H](C)O
365639177	ZINC000354712163	high	4.31	-8.51	0	297.443	1.481	1	3	7	CC(=O)N[C@@H](C)C(=O)N(CCN(C)C)CC1CCCCC1
214185016	ZINC000337621139	ref	0.9	-15.89	0	270.333	0.821	2	5	7	COCCOCCNC(=O)Nc1c(C)nn(C)c1C
365639184	ZINC000354711670	ref	4.36	-44.36	1	282.428	1.905	3	2	7	NC(=O)CCC1CC[NH+](C[C@H](O)CC2CCCC2)CC1
365639190	ZINC000354713015	ref	5.09	-16.14	0	298.302	1.99	3	5	4	CO[C@@H](C(=O)Nc1nc2cccnc2[nH]1)c1ccc(O)cc1
365639195	ZINC000354712755	ref	6.96	-12.96	0	252.358	1.502	0	2	2	C[C@@H]1C[C@@H](C)[C@@H](C)N(C(=O)CN2CCCC2=O)C1
365639201	ZINC000354711821	ref	0.65	-10.18	0	296.371	1.611	2	5	5	COc1nn(C)cc1NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C
365639207	ZINC000354712730	ref	6.53	-40.13	1	262.357	1.469	2	3	4	C[C@@H](CNC(=O)c1cncnc1)[N@@H+]1CCCC[C@H]1C
214185020	ZINC000337621035	ref	3.77	-14.77	0	268.198	2.143	1	4	2	O=C(Nc1cncnc1)c1ccncc1C(F)(F)F
365639211	ZINC000354712730	mid	5.95	-42.0	1	262.357	1.469	2	3	4	C[C@@H](CNC(=O)c1cncnc1)[N@H+]1CCCC[C@H]1C
398249027	ZINC000286146524	ref	6.35	-31.2	1	220.316	1.117	1	1	4	C#CC(C)(C)[N@H+](C)[C@H]1CCN(CC=C)C1=O
178301779	ZINC000022121878	ref	4.56	-5.5	0	212.705	3.149	1	3	0	Cc1cc2nc(N)sc2c(C)c1Cl
343993893	ZINC000139220327	low	5.06	-31.05	1	140.186	0.918	0	2	3	CO[C@@H](C)Cn1cc[nH+]c1
365634361	ZINC000623065340	ref	3.72	-44.76	1	307.398	1.137	2	4	4	COCCn1cc(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cn1
365634366	ZINC000623066287	ref	1.72	-53.72	1	318.402	1.656	4	4	5	O=C(Nc1ncc(-c2ccccc2)s1)NC1(CCO)C[NH2+]C1
365634370	ZINC000623066287	high	0.04	-15.83	0	318.402	1.656	4	5	5	O=C(Nc1ncc(-c2ccccc2)s1)NC1(CCO)CNC1
365634374	ZINC000623066264	ref	4.43	-47.76	1	321.425	1.383	2	4	5	COCCn1cc(NC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1
365634376	ZINC000623065526	ref	1.51	-55.91	1	311.407	1.21	3	3	3	C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccc(S(C)(=O)=O)cc1
365634377	ZINC000623066272	ref	7.65	-44.39	1	303.41	1.154	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1
365634379	ZINC000623066016	ref	4.07	-48.29	1	301.35	1.282	2	5	6	Cn1nc(C2CC2)nc1C(=O)Nc1ccc(OCC[NH3+])cc1
282122463	ZINC000370503588	high	6.52	-10.12	0	288.391	2.532	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2CCCC2)c2ccccc2O1
398249028	ZINC000367211516	ref	6.22	-39.91	1	215.312	2.283	1	1	6	C[C@]1([NH2+]CCCCF)CCO[C@H]1C1CC1
365634381	ZINC000623065342	ref	3.94	-55.19	1	304.375	1.502	2	4	1	O=C(Nc1nc2ccccc2s1)N1CCOC2(C[NH2+]C2)C1
398249037	ZINC000367211517	ref	6.39	-40.24	1	215.312	2.283	1	1	6	C[C@@]1([NH2+]CCCCF)CCO[C@@H]1C1CC1
365634383	ZINC000623065342	high	2.22	-15.92	0	304.375	1.502	2	5	1	O=C(Nc1nc2ccccc2s1)N1CCOC2(CNC2)C1
365634384	ZINC000623066167	ref	6.02	-59.21	1	314.393	1.621	3	4	5	C[NH2+][C@@H](C)CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365634386	ZINC000623066198	ref	2.53	-47.59	1	312.345	1.949	2	4	4	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nnc(-c2c(F)cccc2F)s1
365634387	ZINC000623065820	ref	2.14	-57.84	1	316.361	1.03	1	5	5	COCc1nc(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)no1
343993896	ZINC000139298640	ref	3.7	-5.86	0	196.294	1.485	1	2	2	CC[C@H]1N[C@@H](C)C(=O)N1C1CCCC1
342078895	ZINC000625298372	ref	1.49	-9.82	0	270.76	1.906	3	3	5	CNC(=O)[C@@H](NCc1cc(O)ccc1Cl)C(C)C
342078896	ZINC000625298372	mid	2.85	-38.58	1	270.76	1.906	3	2	5	CNC(=O)[C@@H]([NH2+]Cc1cc(O)ccc1Cl)C(C)C
349534750	ZINC000093261302	high	-1.16	-8.34	0	293.367	0.795	2	5	6	CC[C@@H](O)CN1CCC(Oc2ccnc(C(N)=O)c2)CC1
343993898	ZINC000139207981	ref	2.28	-6.85	0	170.256	0.809	1	2	2	CC(C)CN1C(=O)[C@@H](C)N[C@H]1C
398249041	ZINC000366735312	ref	1.45	-43.82	-1	229.232	-0.475	1	5	1	O=C([O-])C(=O)N[C@H]1CCO[C@@]2(CCOC2)C1
192339539	ZINC000081922845	ref	3.37	-56.17	1	309.362	2.267	1	3	5	COc1ccc(C[NH3+])cc1CS(=O)(=O)c1ccccc1F
365634367	ZINC000122988256	ref	5.1	-28.37	1	283.375	2.499	1	2	3	CCc1cc(N2CCC[C@@H](C(N)=O)C2)c2ccccc2[nH+]1
178301780	ZINC000237199102	ref	5.3	-44.94	1	352.241	1.867	2	2	6	C[NH2+]C[C@@H](C)C(=O)NCCc1ccc(I)s1
192339542	ZINC000081922845	high	2.96	-13.95	0	309.362	2.267	1	4	5	COc1ccc(CN)cc1CS(=O)(=O)c1ccccc1F
192339545	ZINC000081926980	ref	4.39	-45.28	1	311.428	2.491	1	4	6	C[NH2+][C@H](CS(=O)(=O)c1cccs1)c1cccc(OC)c1
192339549	ZINC000081926980	mid	3.16	-11.52	0	311.428	2.491	1	5	6	CN[C@H](CS(=O)(=O)c1cccs1)c1cccc(OC)c1
192339552	ZINC000081925517	ref	4.54	-45.27	1	313.419	1.933	1	4	7	CCC[NH2+][C@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCO2
192339555	ZINC000081925517	mid	3.37	-14.38	0	313.419	1.933	1	5	7	CCCN[C@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCO2
178301782	ZINC000237183235	ref	4.25	-45.55	1	358.438	1.941	2	4	9	COc1cc(OC)c(CCNC(=O)[C@H]([NH3+])Cc2ccccc2)c(OC)c1
192339558	ZINC000081922982	ref	2.18	-46.11	1	315.366	1.222	1	4	2	[NH3+][C@H]1CCC2(C[C@H]1S(=O)(=O)c1ccccc1F)OCCO2
192339561	ZINC000081922982	high	1.9	-11.4	0	315.366	1.222	1	5	2	N[C@H]1CCC2(C[C@H]1S(=O)(=O)c1ccccc1F)OCCO2
192339563	ZINC000081928364	ref	5.36	-40.05	1	311.447	2.341	1	3	5	C[NH2+][C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC(C)C
192339566	ZINC000081928364	mid	4.73	-12.32	0	311.447	2.341	1	4	5	CN[C@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC(C)C
192339569	ZINC000081927682	ref	7.56	-6.68	0	305.23	3.356	0	3	1	CC1(C)CN(C(=O)c2nc(Cl)ccc2Cl)CCS1
178301785	ZINC000237183235	high	3.95	-11.34	0	358.438	1.941	2	5	9	COc1cc(OC)c(CCNC(=O)[C@H](N)Cc2ccccc2)c(OC)c1
192339572	ZINC000081923354	ref	3.44	-58.55	1	303.383	2.094	1	3	3	COc1cccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2[NH3+])c1
192339575	ZINC000081923354	mid	3.14	-12.98	0	303.383	2.094	1	4	3	COc1cccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2N)c1
214185021	ZINC000293581529	ref	2.23	-9.74	0	352.391	0.203	3	7	5	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@]1(O)CCC[C@H]1C
192339578	ZINC000081926275	ref	7.77	-7.85	0	314.451	2.209	0	4	2	CCOC(=O)N1CCC[C@@H](C(=O)N2CCSC(C)(C)C2)C1
192339581	ZINC000081924736	ref	6.93	-11.31	0	324.368	1.751	0	3	2	CC1(C)CN(C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)CCS1
192339584	ZINC000081923650	ref	7.43	-39.44	1	301.411	2.487	1	2	4	C[NH2+][C@H]1c2ccccc2C[C@H]1S(=O)(=O)Cc1ccccc1
192339557	ZINC000421441516	ref	6.45	-11.85	0	234.343	2.477	1	2	3	CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
192339560	ZINC000421439767	ref	5.71	-9.87	0	219.275	2.584	1	1	5	CC(C)CCCNC(=O)[C@@]1(C)CC1(F)F
192339564	ZINC000421442515	ref	7.47	-7.86	0	245.322	3.132	1	2	4	CCOc1cc(C)ccc1NC(=O)[C@@H]1CC12CC2
365634373	ZINC000122988256	high	4.79	-11.81	0	283.375	2.499	1	3	3	CCc1cc(N2CCC[C@@H](C(N)=O)C2)c2ccccc2n1
178301789	ZINC000237187561	ref	5.72	-54.18	1	362.499	1.454	3	4	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSCN2)cc1)[C@H]1CCC[N@H+](C)C1
192339567	ZINC000421439174	ref	8.51	-7.22	0	241.334	2.849	1	1	3	O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@]12CCC[C@@H]1C2
178301792	ZINC000237187561	mid	5.28	-43.23	1	362.499	1.454	3	4	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSCN2)cc1)[C@H]1CCC[N@@H+](C)C1
192339570	ZINC000421442232	ref	8.2	-10.82	0	237.299	1.341	0	3	5	CCOC(=O)CN(C(=O)[C@H]1CC12CC2)C1CC1
168364764	ZINC000043476791	ref	1.72	-43.81	1	185.654	1.935	2	1	2	C[C@@H]([NH3+])Cc1ccc(O)c(Cl)c1
192339574	ZINC000421442327	ref	6.6	-10.54	0	219.275	2.536	0	1	4	CCN(CC(C)C)C(=O)[C@]1(C)CC1(F)F
343993897	ZINC000599270832	ref	4.2	-12.13	0	262.313	1.081	1	5	4	CC(C)C[C@H](C#N)NC(=O)c1cn2c(n1)COCC2
168364766	ZINC000043476791	high	2.49	-60.18	0	185.654	1.935	1	1	2	C[C@@H]([NH3+])Cc1ccc([O-])c(Cl)c1
192339577	ZINC000421444374	ref	7.2	-11.97	0	206.289	1.939	0	2	4	CCCN(CC#N)C(=O)[C@]12CCC[C@H]1C2
192339580	ZINC000421439751	ref	4.65	-10.39	0	233.258	1.667	0	2	1	C[C@H]1CO[C@H](C)CN1C(=O)[C@]1(C)CC1(F)F
136229212	ZINC000232465836	low	7.88	-122.92	2	230.355	2.479	2	0	5	c1ccc([C@H]([NH2+]C[C@H]2CCC[NH2+]2)C2CC2)cc1
136229213	ZINC000232466161	ref	3.67	-36.61	1	200.351	1.224	2	2	3	C1C[NH2+][C@H](CN[C@@H]2CCCSC2)C1
192339583	ZINC000421443563	ref	6.53	-9.42	0	245.313	2.974	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]1(C)CC1(F)F
192339587	ZINC000421439261	ref	6.91	-9.49	0	245.313	2.974	1	1	3	C[C@@H]1CCC[C@H](CNC(=O)[C@@]2(C)CC2(F)F)C1
398249029	ZINC000650871019	ref	5.11	-14.65	0	291.351	1.903	2	3	2	O=C(NCc1cc2c([nH]c1=O)CCC2)N1CCCCCO1
192339591	ZINC000421440429	ref	4.63	-13.25	0	223.32	1.433	1	3	3	Cc1cc(CC(=O)NCC(C)(C)C)n(C)n1
136229214	ZINC000232466161	mid	4.87	-121.51	2	200.351	1.224	2	1	3	C1C[NH2+][C@H](C[NH2+][C@@H]2CCCSC2)C1
343993901	ZINC000599270799	ref	5.6	-11.43	0	257.297	1.397	1	5	4	CC(C)C[C@H](C#N)NC(=O)c1ccnc2ccnn12
168364769	ZINC000082588549	ref	1.52	-54.92	1	192.218	1.011	2	2	2	C[C@@H]([NH3+])Cc1ccc2oc(=O)[nH]c2c1
192339593	ZINC000421441943	ref	5.12	-10.87	0	237.347	2.074	1	3	5	CC[C@H](NC(=O)[C@@H](C)c1ccnn1C)C(C)C
192339596	ZINC000421443059	ref	7.34	-6.73	0	221.344	2.729	1	1	3	C[C@@H]1CCC[C@@H](CNC(=O)[C@H]2CC23CC3)C1
282122464	ZINC000424439523	ref	3.94	-63.64	1	314.393	1.49	3	4	3	Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCc3nc(C)nn3C2)c1
282122466	ZINC000424439523	high	3.53	-18.12	0	314.393	1.49	3	5	3	Cc1cc(CN)cc(NC(=O)N[C@@H]2CCc3nc(C)nn3C2)c1
343993900	ZINC000139207981	low	3.54	-45.71	1	170.256	0.809	1	1	2	CC(C)CN1C(=O)[C@@H](C)[NH2+][C@H]1C
365634375	ZINC000123112418	ref	5.24	-11.83	0	286.257	2.117	0	4	4	CCN(C[C@H](C)C#N)C(=O)c1cnc(C(F)(F)F)nc1
192037573	ZINC000418464560	ref	3.83	-50.92	1	227.352	1.413	2	1	5	C[C@H](C[NH3+])CNC(=O)N(C)CC1CCCC1
168364765	ZINC000368499278	ref	6.68	-52.79	1	328.412	3.149	2	3	5	COc1cccc2cc([C@H](C)[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)oc12
365634378	ZINC000123031222	ref	4.47	-1.7	0	254.418	2.077	1	2	5	COCCN1CC[NH+](CC2CCC(C)CC2)CC1
365634380	ZINC000123031222	high	4.47	-1.7	0	254.418	2.077	0	3	5	COCCN1CCN(CC2CCC(C)CC2)CC1
342078897	ZINC000625298372	high	2.09	-47.71	-1	270.76	1.906	2	3	5	CNC(=O)[C@@H](NCc1cc([O-])ccc1Cl)C(C)C
343993903	ZINC000139298486	ref	3.63	-5.91	0	196.294	1.485	1	2	2	CC[C@H]1N[C@H](C)C(=O)N1C1CCCC1
187169697	ZINC000125091433	ref	1.93	-10.15	0	276.258	1.991	2	3	5	CC[C@@H](O)CCNC(=O)c1ccc(C(F)(F)F)nc1
290623543	ZINC000292087124	ref	-0.67	-14.97	0	315.395	-0.081	2	5	3	CNC(=O)c1cc(S(=O)(=O)N2CC[C@H](O)C[C@@H]2C)cn1C
290623549	ZINC000408448681	ref	1.35	-17.72	0	342.421	-0.374	1	5	3	CNC(=O)c1cc(S(=O)(=O)N2CCN(C)C(=O)C2(C)C)cn1C
365634382	ZINC000122971655	ref	7.16	-5.2	0	269.41	2.203	1	3	4	CSCCC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2
365634385	ZINC000123123165	ref	8.48	-41.11	1	279.428	2.302	2	1	3	C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H]2CCC[C@H]2C1
365634388	ZINC000123123165	high	6.18	-7.13	0	279.428	2.302	1	2	3	C[C@H](CN1CCCCC1)NC(=O)N1C[C@H]2CCC[C@H]2C1
168364768	ZINC000368499278	high	5.7	-11.9	0	328.412	3.149	2	4	5	COc1cccc2cc([C@H](C)N[C@H]3CCC(=O)N[C@@H]3C3CC3)oc12
365634391	ZINC000122982011	ref	6.66	-46.98	1	298.452	2.388	2	3	6	C#CCSCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C
365634392	ZINC000122981853	ref	6.66	-46.98	1	298.452	2.388	2	3	6	C#CCSCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
365634394	ZINC000122983581	ref	7.56	-13.07	0	265.353	2.122	0	3	2	O=C1C[C@@H](CC(=O)N2CCC3(CCCCC3)C2)CO1
365634396	ZINC000123120848	ref	2.93	-21.12	0	283.278	2.148	1	4	6	CC[C@@](C)(C#N)NC(=O)c1ccnc(OCC(F)F)c1
342078898	ZINC000625300223	ref	6.29	-52.65	1	266.295	1.987	1	3	5	C[C@@H]([NH2+]CCc1cn(C)nn1)c1ccc(F)cc1F
365634398	ZINC000123068943	ref	5.49	-6.53	0	267.304	2.252	1	3	2	CC[C@@H]1CN(C(=O)Nc2ccc(F)cn2)C[C@@H](C)O1
365634389	ZINC000623065337	ref	4.48	-49.24	1	312.373	1.139	2	3	1	O=C(c1nc2ccccc2c(=O)[nH]1)N1CCC[C@]2(CC[NH2+]C2)C1
365634390	ZINC000623065337	mid	3.41	-72.42	0	312.373	1.139	1	3	1	O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@]2(CC[NH2+]C2)C1
365639179	ZINC000336555693	ref	5.87	-31.86	1	253.367	2.3	1	3	3	c1cc([C@H]2CCC[N@H+]2C[C@H]2COCCO2)cs1
365639187	ZINC000336555693	mid	6.77	-32.15	1	253.367	2.3	1	3	3	c1cc([C@H]2CCC[N@@H+]2C[C@H]2COCCO2)cs1
343993902	ZINC000079915613	ref	6.06	-11.97	0	273.336	2.156	1	3	4	CCN(Cc1ccoc1)C(=O)[C@@H]1CCc2c[nH]nc2C1
168364767	ZINC000308945501	ref	4.87	-5.7	0	217.309	1.2	1	4	8	CCC(CC)CN[C@H](COC)C(=O)OC
192037575	ZINC000418464157	ref	5.22	-46.89	1	247.408	1.38	2	2	9	CCC[NH2+]CCNC(=O)N(C)CCCSC
178301790	ZINC000082796523	high	2.42	-8.71	0	260.337	1.169	2	3	3	O=C(NC[C@@H]1CCCO1)[C@@H]1CNCc2ccccc21
342078899	ZINC000625300223	high	5.28	-12.47	0	266.295	1.987	1	4	5	C[C@@H](NCCc1cn(C)nn1)c1ccc(F)cc1F
342078900	ZINC000625299048	ref	0.63	-41.28	1	257.374	1.057	3	3	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCOCC1
343993907	ZINC000079911530	ref	4.56	-16.97	0	290.388	2.193	2	4	5	N#CCSc1cccc(C(=O)NC[C@@H]2CCC[C@H]2O)c1
342078901	ZINC000608857892	ref	3.5	-15.07	0	290.291	1.508	0	4	5	CCN(CC#N)S(=O)(=O)c1c(F)cc(OC)cc1F
365639192	ZINC000336555693	high	4.25	-3.36	0	253.367	2.3	0	4	3	c1cc([C@H]2CCCN2C[C@H]2COCCO2)cs1
365639200	ZINC000336555700	ref	4.46	-32.88	1	253.415	2.142	1	3	3	Cc1nc(C)c(CN2C[C@H](C)[C@@H]([NH+](C)C)C2)s1
214185023	ZINC000337622685	ref	1.03	-16.04	0	259.346	0.395	2	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC[C@H](O)C1
342078902	ZINC000625300740	ref	4.09	-17.75	0	299.783	1.725	2	3	6	O=S(=O)(CCc1cccc(Cl)c1)NCc1c[nH]cn1
343993910	ZINC000079919204	ref	6.95	-10.76	0	290.407	2.278	1	3	6	O=C(CN(CCCO)c1ccccc1)N1CCCCCC1
365639205	ZINC000336555966	ref	7.6	-7.45	0	288.391	2.457	0	3	2	CC(C)[C@@H]1CN(C(=O)c2ccc3c(n2)CCCC3)CCO1
365639220	ZINC000336555620	ref	3.92	-17.21	0	276.336	2.399	2	3	3	CC(=O)Nc1ccc(NC(=O)[C@@H]2CCO[C@@H](C)C2)cc1
343993914	ZINC000079912009	ref	5.64	-10.94	0	279.384	2.084	1	4	9	CCCCOCCCNC(=O)c1cccnc1N(C)C
343993917	ZINC000079912166	ref	3.33	-11.2	0	263.337	2.071	1	3	2	CC(C)(C)Oc1ccc(C(=O)N2CC[C@@H](O)C2)cc1
168364770	ZINC000308945501	low	4.92	-37.48	1	217.309	1.2	1	3	8	CCC(CC)C[NH2+][C@H](COC)C(=O)OC
365639229	ZINC000336555868	ref	7.5	-47.15	1	262.353	2.287	1	2	2	Cc1occc1C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C
187169698	ZINC000125094270	ref	-0.2	-10.59	0	283.328	-0.219	2	6	8	CC[C@@H](O)CCNC(=O)c1ccc(=O)n(CCOC)n1
197592899	ZINC000290093439	ref	8.25	-56.66	1	296.367	3.069	1	4	9	CCOc1ccc([C@@H](C)[NH2+]C[C@H](CC)OC)cc1[N+](=O)[O-]
343993904	ZINC000599269742	ref	6.65	-10.4	0	298.383	1.633	0	4	2	COC(=O)C[C@@H]1CCCCN1C(=O)N1C[C@H](C)O[C@H](C)C1
343993906	ZINC000599267901	ref	6.28	-46.87	1	259.353	1.81	2	2	6	Cc1ccc(C[N@@H+](CC(N)=O)CC(C)C)cc1C#N
187169699	ZINC000125100366	ref	7.63	-9.55	0	254.333	3.168	0	2	3	CCN(C(=O)c1ccc2nc(C)ccc2c1)C1CC1
192037577	ZINC000418430112	ref	0.61	-48.52	1	245.367	1.228	3	2	7	CCC([NH3+])(CC)CNC(=O)NC(C)(C)COC
187169700	ZINC000125094733	ref	6.66	-11.22	0	298.342	2.096	1	3	3	CC(=O)Nc1cccc(CN2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1
168366085	ZINC000082844550	low	0.46	-101.45	2	155.201	-0.199	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1c[nH+]cn1C
192037579	ZINC000418430131	ref	1.88	-39.39	1	233.331	1.407	3	1	6	CC(C)C[C@H](C[NH3+])NC(=O)NC(C)(C)CF
192037581	ZINC000418430484	ref	0.81	-49.55	1	245.367	0.916	3	2	7	CCC([NH3+])(CC)CNC(=O)N(C)CC[C@@H](C)O
192037583	ZINC000418463036	ref	0.64	-39.79	1	243.351	0.669	3	2	5	CCCC[C@H](C[NH3+])NC(=O)N1C[C@H](O)C[C@@H]1C
192037585	ZINC000418430431	ref	3.72	-37.06	1	245.342	1.503	2	1	4	CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@](C)(F)C1
192037587	ZINC000418464207	ref	0.29	-47.96	1	245.367	0.694	4	2	10	CCC[NH2+]CCNC(=O)NC[C@@H](CC)CCO
192037589	ZINC000418428837	ref	0.49	-47.11	1	245.367	0.916	3	2	6	CCC([NH3+])(CC)CNC(=O)N(C)CC(C)(C)O
192037591	ZINC000418464205	ref	0.22	-48.19	1	245.367	0.694	4	2	10	CCC[NH2+]CCNC(=O)NC[C@H](CC)CCO
192037593	ZINC000418464947	ref	1.8	-49.89	1	213.325	1.213	3	1	5	CCC1(NC(=O)NC[C@H](C)C[NH3+])CCC1
192037595	ZINC000418465480	ref	5.38	-35.99	1	243.395	2.19	2	1	7	CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H](C)C(C)C
192037597	ZINC000418432468	ref	0.05	-46.61	1	245.367	0.963	4	2	7	CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[C@@H](C)O
192037599	ZINC000418464480	ref	-3.37	-51.94	1	225.239	-0.492	4	2	6	C[C@H](C[NH3+])CNC(=O)NCC(F)(F)CO
192037602	ZINC000418464102	ref	3.51	-49.41	1	227.352	1.411	2	1	3	C[C@H]1CC[C@H](C)N(C(=O)NC[C@H](C)C[NH3+])C1
192037604	ZINC000418465276	ref	4.73	-45.61	1	227.352	1.57	2	1	6	CCC[NH2+]CCNC(=O)N1CCC[C@H]1CC
192037606	ZINC000418430804	ref	-2.0	-37.62	1	217.313	0.04	4	2	6	CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@H](C)O
192037608	ZINC000418465650	ref	4.62	-53.21	1	247.342	2.01	2	1	4	C[C@H]([NH3+])c1ccc(CNC(=O)N(C)C2CC2)cc1
192037610	ZINC000418430451	ref	-0.17	-38.57	1	245.367	0.818	4	2	7	CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@@H](C)O
192037612	ZINC000418464489	ref	-0.85	-52.08	1	245.367	0.679	4	2	9	CCC[C@H](CCO)CNC(=O)NC[C@H](C)C[NH3+]
365634393	ZINC000625073762	ref	7.88	-45.34	1	309.454	2.166	1	2	1	C[C@H]1CN(C(=O)N2CC[NH+](C3CCCCC3)CC2)C[C@@H](C)O1
178301795	ZINC000237187561	low	7.11	-99.37	2	362.499	1.454	3	3	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1)[C@H]1CCC[N@H+](C)C1
178301798	ZINC000237187561	low	6.68	-91.19	2	362.499	1.454	3	3	4	CN(C(=O)c1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1)[C@H]1CCC[N@@H+](C)C1
178301802	ZINC000237187561	high	2.9	-12.12	0	362.499	1.454	2	5	4	CN1CCC[C@H](N(C)C(=O)c2ccc(NC(=O)[C@H]3CSCN3)cc2)C1
192339586	ZINC000081923650	mid	6.72	-13.09	0	301.411	2.487	1	3	4	CN[C@H]1c2ccccc2C[C@H]1S(=O)(=O)Cc1ccccc1
192339589	ZINC000081927357	ref	7.3	-16.05	0	306.431	2.221	1	3	1	CC1(C)CN(C(=O)c2cc3c([nH]c2=O)CCCC3)CCS1
192339594	ZINC000081926941	ref	6.86	-8.81	0	322.43	2.267	1	4	4	CC1(C)CN(C(=O)CNC(=O)OCc2ccccc2)CCS1
365634395	ZINC000625073762	high	5.55	-8.07	0	309.454	2.166	0	3	1	C[C@H]1CN(C(=O)N2CCN(C3CCCCC3)CC2)C[C@@H](C)O1
192339598	ZINC000081927488	ref	9.52	-19.11	0	304.415	2.68	0	4	3	C[C@H](Oc1ccccc1C#N)C(=O)N1CCSC(C)(C)C1
178301805	ZINC000237187899	ref	9.73	-66.6	1	358.442	1.86	1	6	6	COC(=O)COc1c(C)cc(C[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1C
178301808	ZINC000237187899	high	8.58	-14.48	0	358.442	1.86	1	7	6	COC(=O)COc1c(C)cc(CN[C@@H]2CCc3nc(C)nn3C2)cc1C
282122465	ZINC000001684430	ref	6.05	-75.08	1	308.294	1.569	1	6	6	C[NH+](C)C[C@@H]1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)O1
343993905	ZINC000139278502	ref	3.1	-7.42	0	180.251	0.851	1	2	1	O=C1N(C2CCCC2)CNC12CC2
192339607	ZINC000081924243	ref	1.49	-12.99	0	301.408	1.917	1	5	5	COc1ccc(OC)c([C@@H](N)CS(=O)(=O)C(C)(C)C)c1
178301811	ZINC000237197774	ref	4.27	-46.44	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1
192339609	ZINC000081924243	mid	1.87	-43.17	1	301.408	1.917	1	4	5	COc1ccc(OC)c([C@@H]([NH3+])CS(=O)(=O)C(C)(C)C)c1
192339612	ZINC000081926933	ref	1.11	-45.21	1	303.405	1.145	1	5	2	[NH3+][C@@H]1CCC2(C[C@@H]1S(=O)(=O)c1cccs1)OCCO2
192339615	ZINC000081926933	high	0.75	-11.47	0	303.405	1.145	1	6	2	N[C@@H]1CCC2(C[C@@H]1S(=O)(=O)c1cccs1)OCCO2
192339618	ZINC000081926137	ref	7.49	-6.61	0	302.399	3.309	0	4	2	CC1(C)CN(C(=O)c2coc(-c3ccccc3)n2)CCS1
192339621	ZINC000081926978	ref	4.33	-44.21	1	311.428	2.491	1	4	6	C[NH2+][C@@H](CS(=O)(=O)c1cccs1)c1cccc(OC)c1
259308274	ZINC000356845879	ref	4.85	-37.42	1	248.37	2.479	2	2	8	C=CC[C@H](CO)C[NH2+][C@H](C)c1ncccc1CC
343993908	ZINC000139284922	ref	-1.43	-34.41	1	171.244	0.032	2	2	2	C[C@H]1CO[C@H](C)CN1CC(N)=[NH2+]
365634397	ZINC000625070781	ref	2.09	-10.39	0	316.448	2.007	1	5	5	CC1(C)C[C@H](S(=O)(=O)NCc2nc(C3CC3)cs2)CO1
365634399	ZINC000625070781	high	1.94	-43.09	-1	316.448	2.007	0	5	5	CC1(C)C[C@H](S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)CO1
365634400	ZINC000625071268	ref	5.93	-17.17	0	319.449	2.336	2	3	6	Cc1cccc(C)c1NC(=O)CN(C)CC(=O)NCC(C)(C)C
365634402	ZINC000625073046	ref	7.27	-9.93	0	320.441	2.433	1	6	9	COCCN(CC(C)C)c1nnc(-c2cn[nH]c2)n1CC(C)C
349534752	ZINC000602431621	ref	1.91	-41.74	1	246.376	0.355	1	2	4	CCN(CC)C(=O)C1([S@@](C)=O)CC[NH2+]CC1
365634404	ZINC000625073591	ref	6.59	-10.55	0	318.425	2.326	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)O[C@@H](C)[C@@H]1C
365634405	ZINC000625072714	ref	5.0	-15.22	0	324.446	2.424	0	4	3	Cc1cccc([C@H]2CCCN2S(=O)(=O)[C@H]2COC(C)(C)C2)n1
365634409	ZINC000625074882	ref	7.4	-11.11	0	305.422	2.414	0	3	3	C[C@H]1CN(C(=O)N(C)Cc2cccc(N(C)C)c2)C[C@@H](C)O1
187169701	ZINC000125095165	ref	7.49	-43.21	1	264.344	2.267	2	1	2	Cc1cc(C(=O)NC2CC[NH+](C)CC2)cc(C)c1F
365634413	ZINC000625072037	ref	7.27	-9.9	0	318.425	2.328	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)O[C@@H](C)C1
365634417	ZINC000625074359	ref	6.34	-10.82	0	302.378	2.453	1	6	5	CC(C)Cn1c(-c2ccc(CO)o2)nnc1N1CC=CCC1
365634420	ZINC000625072500	ref	6.86	-11.07	0	318.425	2.33	1	6	6	CCO[C@H]1CCCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
412491569	ZINC000553337135	ref	4.94	-14.36	0	306.33	-0.385	2	9	6	COCCn1cc(NC(=O)c2nc(N)nc(N(C)C)n2)cn1
412491576	ZINC000594334904	ref	0.4	-17.33	0	323.353	0.101	2	7	4	CC(C)(CO)N1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1
365634428	ZINC000625072662	ref	3.04	-10.71	0	319.467	2.07	1	4	8	CCOCCC1(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)CCC1
365634433	ZINC000625070993	ref	7.73	-9.97	0	306.439	2.266	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCS[C@H](C)C1
365634437	ZINC000625072733	ref	8.46	-50.44	1	324.388	2.259	0	7	6	COc1cncc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)n1
365634441	ZINC000625072733	mid	7.85	-50.6	1	324.388	2.259	1	6	6	COc1cncc(C[N@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)n1
365634444	ZINC000625072733	mid	8.46	-50.44	1	324.388	2.259	1	6	6	COc1cncc(C[N@@H+](C)[C@@H](C)c2ccc(-n3cncn3)cc2)n1
343993912	ZINC000139260812	ref	3.87	-5.76	0	196.294	1.487	1	2	3	CCC[C@@H]1NCC(=O)N1C1CCCC1
365634401	ZINC000123039555	ref	8.62	-19.51	0	274.364	2.288	1	2	7	C=CCC[C@@H](NC(=O)CC(=O)N(C)C)c1ccccc1
365634403	ZINC000123110362	ref	8.01	-38.94	1	295.471	2.048	1	2	6	CC(C)CN(C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1
365634407	ZINC000123110362	mid	7.62	-39.55	1	295.471	2.048	1	2	6	CC(C)CN(C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1
365634408	ZINC000123110362	low	10.23	-102.95	2	295.471	2.048	2	1	6	CC(C)CN(C(=O)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1
197592901	ZINC000290093439	high	7.05	-11.28	0	296.367	3.069	1	5	9	CCOc1ccc([C@@H](C)NC[C@H](CC)OC)cc1[N+](=O)[O-]
398249032	ZINC000286146524	mid	6.6	-30.14	1	220.316	1.117	1	1	4	C#CC(C)(C)[N@@H+](C)[C@H]1CCN(CC=C)C1=O
365634410	ZINC000123110362	low	10.2	-103.73	2	295.471	2.048	2	1	6	CC(C)CN(C(=O)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1
197592903	ZINC000290093364	ref	7.23	-8.69	0	291.347	2.113	0	4	3	CCOC(=O)c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1
342595684	ZINC000616963394	ref	4.01	-16.38	0	296.367	1.559	2	3	5	C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@@H]1CCNC1=O
365634412	ZINC000123110362	low	10.2	-103.73	2	295.471	2.048	2	1	6	CC(C)CN(C(=O)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1
365634415	ZINC000123110362	low	9.8	-104.2	2	295.471	2.048	2	1	6	CC(C)CN(C(=O)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1
365634418	ZINC000122959670	ref	4.82	-8.05	0	253.733	2.087	1	3	4	C=C(C)CNC(=O)/C=C/c1c(C)nn(C)c1Cl
365634424	ZINC000123114721	ref	8.06	-44.41	1	295.427	2.264	3	2	3	C[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
365634429	ZINC000123114721	mid	7.69	-42.57	1	295.427	2.264	3	2	3	C[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
365634431	ZINC000123114721	high	5.84	-14.84	0	295.427	2.264	2	3	3	C[C@H]1CC[C@@H](C)N1CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C
365634435	ZINC000122954160	ref	5.17	-9.47	0	282.347	2.177	0	5	3	Cc1ccoc1CN1CCN(c2ncccc2C#N)CC1
342595685	ZINC000616963345	ref	3.47	-19.14	0	262.284	1.234	2	2	4	O=C(C/C=C/c1ccc(F)cc1)N[C@@H]1CCNC1=O
365634440	ZINC000122954160	low	7.9	-38.64	1	282.347	2.177	1	4	3	Cc1ccoc1C[NH+]1CCN(c2ncccc2C#N)CC1
398249033	ZINC000286146524	mid	4.58	-9.17	0	220.316	1.117	0	2	4	C#CC(C)(C)N(C)[C@H]1CCN(CC=C)C1=O
365634443	ZINC000122993481	ref	8.34	-42.93	1	291.42	2.446	1	4	3	O=C(CN1CCC2(CCC2)C1)Nc1nc2c(s1)CCC2
365634449	ZINC000122993481	mid	8.41	-43.44	1	291.42	2.446	2	3	3	O=C(C[N@@H+]1CCC2(CCC2)C1)Nc1nc2c(s1)CCC2
365634450	ZINC000122993481	mid	8.41	-43.44	1	291.42	2.446	2	3	3	O=C(C[N@H+]1CCC2(CCC2)C1)Nc1nc2c(s1)CCC2
192339588	ZINC000273864417	ref	2.23	-13.32	0	264.306	1.639	0	5	2	O=S1(=O)CC[C@H](c2noc(-c3ccccc3)n2)C1
168364771	ZINC000368498476	ref	10.15	-45.01	1	340.471	3.466	1	4	6	COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1
192339590	ZINC000273863296	ref	4.74	-13.9	0	282.731	1.749	0	5	4	CC(=O)N(C)CCc1noc(-c2cc(Cl)cn2C)n1
282122467	ZINC000158910542	ref	6.4	-21.72	0	337.387	1.909	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)Nc1cnn(-c3ccccc3)c1)CC2
342078903	ZINC000625300740	mid	4.06	-16.77	0	299.783	1.725	2	3	6	O=S(=O)(CCc1cccc(Cl)c1)NCc1cnc[nH]1
197592909	ZINC000162808559	ref	10.49	-19.9	0	323.352	2.405	0	6	4	CC(C)OC(=O)c1ccc(Cn2cnc3ncccc3c2=O)cc1
192339597	ZINC000273864060	ref	5.55	-13.1	0	293.323	2.853	0	5	3	Cc1cc(F)ccc1-c1noc(CN2CCSC2=O)n1
187169702	ZINC000125095165	high	5.11	-7.54	0	264.344	2.267	1	2	2	Cc1cc(C(=O)NC2CCN(C)CC2)cc(C)c1F
192339600	ZINC000273864157	ref	5.4	-25.69	0	275.32	1.692	0	2	5	CCN(C)C(=O)C[S@@](=O)Cc1ccc(F)c(F)c1
192339604	ZINC000273863999	ref	4.74	-8.4	0	266.341	2.076	2	5	6	CC(C)OC(=O)c1cccnc1N[C@H](C)[C@@H](C)CO
192339606	ZINC000273861519	ref	1.5	-17.19	0	279.252	0.795	1	7	5	COC(=O)c1coc(-c2nc(CCNC(C)=O)no2)c1
192339610	ZINC000273863499	ref	5.41	-12.34	0	285.347	2.29	1	4	6	CC(=O)NCCc1noc([C@@H](c2ccccc2)C2CC2)n1
192339613	ZINC000273864389	ref	5.26	-9.69	0	273.336	2.94	0	5	4	Cc1ccnc(-c2noc(CC[C@H]3CC[C@H](C)O3)n2)c1
192339616	ZINC000273863597	ref	7.39	-15.28	0	297.318	2.559	0	7	3	c1cc(-c2noc([C@H]3CCCCO3)n2)cc(-n2cncn2)c1
192339619	ZINC000273864195	ref	4.13	-11.93	0	296.33	2.791	0	6	3	c1cnc2cc(-c3noc(C[C@@H]4CCCCO4)n3)ccc2n1
192339624	ZINC000273864901	ref	5.83	-7.87	0	287.363	2.864	0	5	5	Cc1ccc(Cc2noc(CC[C@H]3CC[C@@H](C)O3)n2)cn1
342078904	ZINC000625300740	low	4.57	-47.03	1	299.783	1.725	2	2	6	O=S(=O)(CCc1cccc(Cl)c1)NCc1c[nH+]c[nH]1
342078905	ZINC000625300740	low	4.55	-47.13	1	299.783	1.725	2	2	6	O=S(=O)(CCc1cccc(Cl)c1)NCc1c[nH]c[nH+]1
342078906	ZINC000608857686	ref	2.15	-18.67	0	290.291	1.554	1	4	5	COc1cc(F)c(S(=O)(=O)N[C@H](C)CC#N)c(F)c1
342078907	ZINC000608857686	mid	2.08	-46.11	-1	290.291	1.554	0	4	5	COc1cc(F)c(S(=O)(=O)[N-][C@H](C)CC#N)c(F)c1
342078908	ZINC000625298371	ref	1.53	-10.85	0	270.76	1.906	3	3	5	CNC(=O)[C@H](NCc1cc(O)ccc1Cl)C(C)C
214185025	ZINC000293571588	ref	0.22	-9.95	0	366.414	0.856	3	6	6	COc1cc(NC(=O)C(=O)NCC2(CO)CCOCC2)cc(OC)c1C
192037596	ZINC000273075290	ref	5.63	-13.06	0	293.323	1.186	1	5	3	COC(=O)C[C@@H]1CN(C(=O)Nc2ccc(C)cn2)CCO1
342078909	ZINC000625298371	mid	2.62	-40.19	1	270.76	1.906	3	2	5	CNC(=O)[C@H]([NH2+]Cc1cc(O)ccc1Cl)C(C)C
365634406	ZINC000336551535	ref	6.24	-50.58	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)CC1
342078910	ZINC000625298371	high	2.24	-47.52	-1	270.76	1.906	2	3	5	CNC(=O)[C@H](NCc1cc([O-])ccc1Cl)C(C)C
342078911	ZINC000625299025	ref	2.8	-19.65	0	287.385	1.034	2	4	7	CO[C@H](CS(=O)(=O)NCc1c[nH]cn1)C1CCCC1
342078912	ZINC000625299025	mid	2.77	-17.91	0	287.385	1.034	2	4	7	CO[C@H](CS(=O)(=O)NCc1cnc[nH]1)C1CCCC1
349534753	ZINC000594968883	ref	5.84	-55.72	1	275.483	2.55	1	2	3	C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CS1
178301804	ZINC000082797980	ref	-0.14	-57.42	1	259.4	1.525	2	4	5	Cc1csc(S[C@H](C)C[C@@](C)([NH3+])C(N)=O)n1
168364772	ZINC000048552751	ref	3.35	-42.02	1	194.278	1.479	1	2	4	C[C@@H]([NH3+])COc1cccc(N(C)C)c1
178301807	ZINC000082797980	high	-0.4	-8.03	0	259.4	1.525	2	5	5	Cc1csc(S[C@H](C)C[C@@](C)(N)C(N)=O)n1
192037598	ZINC000273073423	ref	3.94	-35.92	1	299.361	2.529	3	2	5	CC1CCC(O)(C[NH2+][C@H](CO)c2c(F)cccc2F)CC1
192037600	ZINC000273073423	mid	2.93	-4.76	0	299.361	2.529	3	3	5	CC1CCC(O)(CN[C@H](CO)c2c(F)cccc2F)CC1
192037601	ZINC000273075230	ref	6.02	-6.62	0	290.26	3.072	1	2	2	O=C(NC1CCC(C(F)(F)F)CC1)c1ccc(F)cn1
192037603	ZINC000273073299	ref	6.84	-53.11	1	292.379	2.497	1	3	7	COc1ccc([C@H](C)[NH2+]CCCN2CCOC2=O)cc1C
192037605	ZINC000273075246	ref	4.55	-14.19	0	281.381	2.352	2	4	4	CSc1ccc(NC(=O)NCC2CCOCC2)nc1
192037607	ZINC000273073566	ref	4.5	-42.95	1	289.379	1.245	2	3	6	C[C@@]1([NH2+]CC(=O)NCc2cccnc2)CCO[C@@H]1C1CC1
192037609	ZINC000273073566	high	3.62	-9.11	0	289.379	1.245	2	4	6	C[C@@]1(NCC(=O)NCc2cccnc2)CCO[C@@H]1C1CC1
192037611	ZINC000273074260	ref	5.71	-53.82	1	291.395	1.764	2	2	5	CN(C)C(=O)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)[nH]1
192037613	ZINC000273074260	high	4.75	-10.98	0	291.395	1.764	2	3	5	CN(C)C(=O)c1ccc(CN[C@@]2(C)CCO[C@H]2C2CC2)[nH]1
192037615	ZINC000273075635	ref	9.78	-12.72	0	287.403	3.269	0	2	3	CC[C@@H]1CC[C@H](C(=O)N2CC[C@H](c3cccc(C)c3)C2)O1
192037620	ZINC000273075305	ref	3.61	-13.38	0	294.38	1.451	3	4	6	CSc1ccc(NC(=O)NCC(=O)NCC2CC2)nc1
398249034	ZINC000650873541	ref	2.31	-18.74	0	274.386	1.051	2	3	4	C[C@H](CS(C)(=O)=O)NC(=O)NC1CC2(CCC2)C1
365634411	ZINC000336551535	mid	5.77	-50.45	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@H+]2CCC[C@@H]3CCC[C@H]32)CC1
192339599	ZINC000421443300	ref	5.8	-9.97	0	241.331	1.298	0	3	8	COCCCN(CCOC)C(=O)[C@H]1CC12CC2
192339602	ZINC000421443061	ref	7.58	-6.62	0	221.344	2.729	1	1	3	C[C@@H]1CCC[C@H](CNC(=O)[C@@H]2CC23CC3)C1
192339605	ZINC000421440091	ref	7.45	-6.18	0	223.36	2.973	1	1	4	CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1
192339608	ZINC000421443262	ref	8.25	-6.68	0	243.35	3.028	1	1	3	Cc1cc(C)c(CNC(=O)[C@H]2CC23CC3)c(C)c1
365634414	ZINC000336551535	high	4.34	-10.09	0	271.426	2.076	0	3	2	O=S1(=O)CCC(CN2CCC[C@@H]3CCC[C@H]32)CC1
398249040	ZINC000650873587	ref	6.45	-12.16	0	296.342	1.122	0	3	3	O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)N1CC[C@H](F)C1
365634416	ZINC000336551396	ref	4.13	-15.85	0	279.296	2.493	2	4	3	CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1F
168364773	ZINC000096493686	ref	7.57	-42.37	1	222.336	2.139	1	3	5	CCC(CC)C[NH2+][C@H]1CCCn2ncnc21
192339611	ZINC000421441800	ref	4.44	-16.38	0	238.331	1.207	2	2	6	CC[C@@H](C)NC(=O)CCNC(=O)[C@H]1CC12CC2
192339614	ZINC000421444665	ref	7.38	-10.93	0	225.288	1.198	0	3	5	CCN(CCC(=O)OC)C(=O)[C@H]1CC12CC2
398249044	ZINC000650874531	ref	6.92	-12.16	0	271.723	1.742	0	3	3	CN(CC(=O)N1CC[C@H](F)C1)c1ccc(Cl)cn1
168364776	ZINC000096493686	high	6.06	-8.02	0	222.336	2.139	1	4	5	CCC(CC)CN[C@H]1CCCn2ncnc21
342078913	ZINC000625299025	low	3.28	-47.67	1	287.385	1.034	2	3	7	CO[C@H](CS(=O)(=O)NCc1c[nH+]c[nH]1)C1CCCC1
192339617	ZINC000421442901	ref	8.26	-8.39	0	237.318	3.252	0	1	4	CCN(CC(C)C)C(=O)c1cccc(F)c1C
342078914	ZINC000625299025	low	3.28	-47.82	1	287.385	1.034	2	3	7	CO[C@H](CS(=O)(=O)NCc1c[nH]c[nH+]1)C1CCCC1
365634421	ZINC000336551001	ref	3.89	-7.14	0	292.354	2.185	1	3	3	Cc1ccc(NC(=O)CN2CC[C@@]3(CCOC3)C2)c(F)c1
192339620	ZINC000421443521	ref	6.69	-8.42	0	245.322	2.673	1	2	4	COc1ccc([C@@H](C)NC(=O)[C@H]2CC23CC3)cc1
192339623	ZINC000421439154	ref	7.41	-5.84	0	249.379	3.109	1	2	3	Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)s1
398249050	ZINC000650874524	ref	4.42	-14.03	0	263.272	1.463	1	3	1	Cn1c(=O)[nH]c2cc(C(=O)N3CC[C@H](F)C3)ccc21
398249054	ZINC000650870847	ref	2.61	-7.87	0	260.353	1.831	3	2	5	C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N[C@@H](CO)CCF
192339627	ZINC000421443109	ref	6.82	-8.61	0	245.322	2.502	1	2	5	CCOc1ccccc1CNC(=O)[C@H]1CC12CC2
192339632	ZINC000421442005	ref	5.63	-12.19	0	223.32	1.638	0	3	4	CC(C)CN(C)C(=O)[C@H](C)c1ccnn1C
192339622	ZINC000081926978	mid	3.34	-11.03	0	311.428	2.491	1	5	6	CN[C@@H](CS(=O)(=O)c1cccs1)c1cccc(OC)c1
365634419	ZINC000617426025	ref	5.37	-19.95	0	291.355	0.659	1	5	4	CCCN1C[C@H](C(=O)N[C@@H]2C[C@H](C)n3ncnc32)CC1=O
192339625	ZINC000081928411	ref	8.41	-12.01	0	315.385	3.185	0	3	4	CC1(C)CN(C(=O)Cc2ccc(OC(F)F)cc2)CCS1
192339630	ZINC000081927652	ref	9.41	-15.3	0	310.375	2.328	0	5	4	CC1(C)CN(C(=O)COc2ccc([N+](=O)[O-])cc2)CCS1
192339633	ZINC000081927715	ref	10.18	-16.22	0	317.458	2.953	0	4	3	CCc1nc2ccccc2n1CC(=O)N1CCSC(C)(C)C1
192339635	ZINC000081927715	low	10.67	-33.23	1	317.458	2.953	0	3	3	CCc1[nH+]c2ccccc2n1CC(=O)N1CCSC(C)(C)C1
192339638	ZINC000081925298	ref	9.55	-12.85	0	308.403	3.125	0	4	3	CCc1ccc(C(=O)N2CCSC(C)(C)C2)cc1[N+](=O)[O-]
192339641	ZINC000081924118	ref	4.01	-47.55	1	315.435	2.178	1	4	6	C[NH2+][C@@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)c(OC)c1
192339644	ZINC000081924118	mid	3.02	-12.98	0	315.435	2.178	1	5	6	CN[C@@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)c(OC)c1
365634426	ZINC000617425372	ref	5.07	-21.39	0	250.302	0.968	1	5	2	C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)c2ncnn21
342078915	ZINC000625300455	ref	3.34	-14.39	0	295.364	1.514	2	4	5	COc1c(C)cc(C)cc1S(=O)(=O)NCc1c[nH]cn1
365634432	ZINC000617429902	ref	6.77	-26.14	0	298.31	0.46	1	8	2	Cc1ccnc2nc(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)nn12
365634439	ZINC000617429904	ref	6.78	-25.98	0	298.31	0.46	1	8	2	Cc1ccnc2nc(C(=O)N[C@H]3C[C@H](C)n4ncnc43)nn12
192339646	ZINC000081927744	ref	7.93	-8.74	0	320.458	2.387	1	3	3	Cc1cc(C)cc(C(=O)NCC(=O)N2CCSC(C)(C)C2)c1
365634445	ZINC000617429308	ref	8.04	-13.09	0	299.294	0.911	2	6	2	O=[N+]([O-])c1ccc2[nH]c(=N[C@H]3CCc4ncnn4C3)[nH]c2c1
192339649	ZINC000081923491	ref	3.16	-43.62	1	313.419	1.626	1	4	6	CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(OC)c1
192339652	ZINC000081923491	high	2.03	-9.81	0	313.419	1.626	1	5	6	CCCN[C@@H]1CCOC[C@H]1S(=O)(=O)c1cccc(OC)c1
192339654	ZINC000081926522	ref	3.99	-12.49	0	307.419	1.822	2	3	3	CC1(C)CN(C(=O)c2ccc(CNC(N)=O)cc2)CCS1
192339658	ZINC000081924645	ref	4.5	-46.82	1	313.419	1.933	1	4	6	CC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCCO2
342078916	ZINC000625300455	mid	3.31	-12.47	0	295.364	1.514	2	4	5	COc1c(C)cc(C)cc1S(=O)(=O)NCc1cnc[nH]1
192339659	ZINC000081924645	mid	3.56	-14.3	0	313.419	1.933	1	5	6	CCN[C@@H](CS(=O)(=O)CC)c1ccc2c(c1)OCCCO2
365634423	ZINC000336551001	mid	6.5	-43.4	1	292.354	2.185	2	2	3	Cc1ccc(NC(=O)C[N@@H+]2CC[C@@]3(CCOC3)C2)c(F)c1
178301814	ZINC000237197774	mid	6.62	-94.23	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2)CC1
365634427	ZINC000336551001	mid	6.52	-43.85	1	292.354	2.185	2	2	3	Cc1ccc(NC(=O)C[N@H+]2CC[C@@]3(CCOC3)C2)c(F)c1
282122468	ZINC000001684430	high	3.65	-33.67	0	308.294	1.569	0	7	6	CN(C)C[C@@H]1CN(/N=C/C=C/c2ccc([N+](=O)[O-])o2)C(=O)O1
282122469	ZINC000160472243	ref	7.51	-38.09	1	282.428	1.992	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCO1
365634430	ZINC000336551757	ref	7.55	-42.39	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)ccn1
282122470	ZINC000160472243	high	5.07	-7.53	0	282.428	1.992	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2CCC(C)(C)CC2)CCO1
168364774	ZINC000368498476	high	9.32	-13.44	0	340.471	3.466	1	5	6	COc1ccc([C@H]2C[C@@H]2[C@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1
282122472	ZINC000356020719	ref	9.46	-41.25	1	336.863	2.452	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CCO1
342595686	ZINC000616963391	ref	4.01	-16.59	0	296.367	1.559	2	3	5	C[C@H](CSc1ccc(F)cc1)C(=O)N[C@@H]1CCNC1=O
365634434	ZINC000336551757	mid	7.18	-46.64	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)ccn1
365634438	ZINC000336551757	mid	5.53	-8.1	0	273.38	2.089	0	3	1	Cc1cc(C(=O)N2C[C@@H]3CCCCN3C[C@@H]2C)ccn1
365634442	ZINC000336551482	ref	4.61	-15.28	0	278.377	2.182	2	3	3	CSc1ccc(C)c(NC(=O)[C@H]2CCC(=O)NC2)c1
214185032	ZINC000053492260	ref	9.16	-15.95	0	331.46	2.964	1	2	7	CC(C)c1ccc(CN(C)C(=O)NCCCN2CCCC2=O)cc1
365634447	ZINC000336551576	ref	9.83	-96.07	2	277.412	2.455	2	2	3	Cc1noc(C)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1
342595687	ZINC000616963511	ref	3.8	-20.97	0	282.29	1.292	2	2	5	O=C(CCCc1ccc(F)c(F)c1)N[C@@H]1CCNC1=O
365634451	ZINC000336551576	mid	9.8	-95.48	2	277.412	2.455	2	2	3	Cc1noc(C)c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1
365634456	ZINC000336551576	high	7.29	-40.03	1	277.412	2.455	1	3	3	Cc1noc(C)c1CN1CC[C@@H](C2CC[NH+](C)CC2)C1
365634460	ZINC000336551034	ref	6.06	-12.28	0	273.357	2.498	0	2	2	CS(=O)(=O)N1CC=C(c2cccc3ccccc23)C1
365634466	ZINC000336551283	ref	6.93	-12.15	0	286.375	2.207	1	2	3	O=C(N[C@H]1CC[C@@H](C(=O)N2CCCC2)C1)c1ccccc1
282122473	ZINC000356020719	high	6.91	-10.69	0	336.863	2.452	0	3	5	CN(C)C[C@@H]1CN(C(=O)C2(Cc3ccc(Cl)cc3)CC2)CCO1
365634436	ZINC000343858447	ref	8.55	-38.28	1	246.398	3.947	1	1	4	CC[C@H]([NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1)c1ccncc1
365634446	ZINC000576592960	ref	3.25	-9.76	0	248.286	1.501	1	4	3	COc1ncncc1NC(=O)N1CC[C@@H]1C1CC1
168364775	ZINC000368498768	ref	7.9	-10.6	0	349.45	3.259	1	3	7	CCOCCC1(CNC(=O)N2CCC(F)(c3cccnc3)CC2)CC1
365634452	ZINC000576594973	ref	-0.04	-9.9	0	201.266	0.252	1	3	3	COC1(C)CN(C(=O)C(C)(C)CO)C1
365634458	ZINC000576595863	ref	4.06	-15.31	0	244.294	2.192	2	3	3	CC(C)(CO)C(=O)Nc1ccc2ccccc2n1
365634463	ZINC000343858446	ref	8.1	-40.64	1	246.398	3.947	1	1	4	CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1)c1ccncc1
306234654	ZINC000557902267	ref	4.06	-52.14	1	345.509	1.088	3	3	6	CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1
365634468	ZINC000576594196	ref	3.24	-41.5	1	242.363	0.997	3	2	8	CCCNC(=O)CCC[N@@H+]1CC[C@H](CCO)C1
365634476	ZINC000576594196	mid	3.28	-41.64	1	242.363	0.997	3	2	8	CCCNC(=O)CCC[N@H+]1CC[C@H](CCO)C1
365634480	ZINC000576594394	ref	2.33	-36.5	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@@H+]1CCN(C)[C@H](C)[C@H]1C
365634486	ZINC000576594394	mid	2.78	-35.83	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@H+]1CCN(C)[C@H](C)[C@H]1C
365634487	ZINC000576594394	mid	0.45	-8.61	0	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@H+](C)[C@H](C)[C@H]1C
306234655	ZINC000557902267	mid	4.04	-51.93	1	345.509	1.088	3	3	6	CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1
365634492	ZINC000576594394	mid	2.78	-35.83	1	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@@H+](C)[C@H](C)[C@H]1C
365634494	ZINC000576594394	high	0.45	-8.61	0	227.352	0.537	1	3	4	CNC(=O)CCCN1CCN(C)[C@H](C)[C@H]1C
168364783	ZINC000368500329	ref	9.12	-8.66	0	329.421	3.272	1	4	5	COC(=O)[C@@H](NC(=O)C1CC(c2ccccc2)C1)c1ccsc1
365634499	ZINC000576594388	ref	5.14	-40.35	1	242.363	1.259	2	2	7	CNC(=O)CCC[N@@H+]1CC[C@@H](OCC(C)C)C1
342078917	ZINC000625300455	low	3.82	-41.11	1	295.364	1.514	2	3	5	COc1c(C)cc(C)cc1S(=O)(=O)NCc1c[nH+]c[nH]1
365634504	ZINC000576594388	mid	5.19	-40.06	1	242.363	1.259	2	2	7	CNC(=O)CCC[N@H+]1CC[C@@H](OCC(C)C)C1
342078918	ZINC000625300455	low	3.8	-41.01	1	295.364	1.514	2	3	5	COc1c(C)cc(C)cc1S(=O)(=O)NCc1c[nH]c[nH+]1
365634509	ZINC000576596033	ref	5.16	-16.21	0	234.303	1.397	2	3	6	CC[C@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH]cn1
365634515	ZINC000576596033	mid	5.2	-15.86	0	234.303	1.397	2	3	6	CC[C@H](CC#N)NC(=O)[C@@H](C)Cc1cnc[nH]1
365634517	ZINC000576596033	low	5.71	-43.97	1	234.303	1.397	2	2	6	CC[C@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1
365634521	ZINC000576596033	low	5.71	-43.79	1	234.303	1.397	2	2	6	CC[C@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1
342595688	ZINC000616963380	ref	3.93	-17.46	0	290.363	1.413	2	3	7	CCCOc1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1
192037614	ZINC000418462275	ref	5.3	-50.99	1	249.358	1.813	2	1	6	CCN(Cc1ccccc1)C(=O)NC[C@@H](C)C[NH3+]
168364777	ZINC000082399336	ref	4.83	-52.24	1	174.247	2.031	1	1	3	C[C@@H]([NH3+])C[C@H](C#N)c1ccccc1
342595689	ZINC000616963904	ref	2.7	-17.97	0	276.336	1.193	2	3	5	COc1ccccc1[C@H](C)CC(=O)N[C@H]1CCNC1=O
214185033	ZINC000337620684	ref	-0.9	-10.44	0	279.287	0.71	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@H]1CCCC[C@@H]1OC(F)F
214185035	ZINC000337622950	ref	1.43	-8.35	0	292.326	0.984	1	4	4	CN1CCOC[C@@H]1C(=O)N[C@@H]1CCCC[C@@H]1OC(F)F
398249038	ZINC000286149315	ref	-2.19	-6.5	0	214.29	0.335	1	5	3	CN(Cc1cscn1)[C@@H]1COC[C@H]1O
136229215	ZINC000232473029	ref	4.98	-33.28	1	241.338	2.076	2	2	4	c1cnc2c(CNC[C@@H]3CCC[NH2+]3)cccc2c1
192037616	ZINC000418462658	ref	3.32	-36.78	1	245.367	1.182	2	2	9	CCCC[C@H](C[NH3+])NC(=O)N(C)CCOCC
192037618	ZINC000418465677	ref	0.71	-49.65	1	243.351	0.526	3	2	6	C[C@H](C[NH3+])CNC(=O)N(CC(C)(C)O)C1CC1
192037621	ZINC000418429262	ref	2.19	-53.95	1	225.336	1.379	3	1	4	C=C(C)CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+]
192037623	ZINC000418429184	ref	3.43	-48.92	1	213.325	1.308	2	1	5	CCCN(C(=O)NCC(C)(C)[NH3+])C1CC1
192037625	ZINC000418462816	ref	2.82	-51.37	1	231.365	0.728	2	2	4	C[C@H](C[NH3+])CNC(=O)N(C)[C@@H]1CCSC1
192037627	ZINC000418432466	ref	-0.52	-50.99	1	245.367	0.963	4	2	7	CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[C@@H](C)O
192037629	ZINC000418431018	ref	3.7	-48.24	1	227.352	1.721	2	1	6	C=C(C)CN(C)C(=O)NCC([NH3+])(CC)CC
192037631	ZINC000418430765	ref	2.08	-37.64	1	243.351	0.79	2	2	5	CO[C@H]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1
192037633	ZINC000418430766	ref	2.02	-39.22	1	243.351	0.79	2	2	5	CO[C@@H]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1
192037635	ZINC000418430074	ref	-1.28	-47.03	1	231.34	0.574	4	2	7	CC[C@H](CO)NC(=O)NCC([NH3+])(CC)CC
192037638	ZINC000418430430	ref	3.73	-39.96	1	245.342	1.503	2	1	4	CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@](C)(F)C1
192037639	ZINC000418464591	ref	2.03	-51.06	1	243.351	0.648	2	2	4	CO[C@@H]1CN(C(=O)NC[C@H](C)C[NH3+])CC[C@H]1C
192037642	ZINC000418464165	ref	1.93	-52.19	1	241.335	0.544	2	2	3	C[C@H](C[NH3+])CNC(=O)N1CCO[C@H]2CCC[C@H]21
192037643	ZINC000418464145	ref	2.18	-43.28	1	201.27	0.333	2	2	5	CCC[NH2+]CCNC(=O)N1CCCO1
192037644	ZINC000418464590	ref	2.12	-52.12	1	243.351	0.648	2	2	4	CO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH3+])CC[C@@H]1C
192037645	ZINC000418463197	ref	3.05	-50.7	1	201.314	1.023	2	1	6	CCCN(CC)C(=O)NC[C@@H](C)C[NH3+]
192037646	ZINC000418430188	ref	2.03	-50.61	1	229.324	0.544	2	2	6	COCCN(C(=O)NCC(C)(C)[NH3+])C1CC1
192037647	ZINC000418429133	ref	5.09	-54.22	1	247.342	1.904	2	1	6	C=CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1
168364782	ZINC000044410736	ref	4.58	-45.17	1	187.645	2.369	1	0	2	C[C@@H]([NH3+])Cc1ccc(F)c(Cl)c1
192339626	ZINC000273864901	low	6.26	-31.9	1	287.363	2.864	0	4	5	Cc1ccc(Cc2noc(CC[C@H]3CC[C@@H](C)O3)n2)c[nH+]1
349534754	ZINC000093289669	ref	4.9	-41.91	1	256.371	0.985	1	3	8	COCC[NH2+]CC(=O)N(C)CCc1cccs1
342078919	ZINC000625300613	ref	4.01	-38.45	1	291.391	1.94	3	3	7	COc1cccc(C2([NH2+]C[C@H](O)CC3(O)CCC3)CC2)c1
190493653	ZINC000269433108	ref	8.2	-41.71	1	287.407	2.346	1	2	5	CC[NH+](CC)[C@H]1CCN(C(=O)/C=C/c2cncc(C)c2)C1
192339631	ZINC000273863842	ref	9.22	-35.21	1	291.395	2.543	2	4	5	CC[NH+]1CCC(Nc2ncccc2C(=O)OC(C)C)CC1
192339634	ZINC000273863842	high	6.85	-6.14	0	291.395	2.543	1	5	5	CCN1CCC(Nc2ncccc2C(=O)OC(C)C)CC1
192339637	ZINC000273865023	ref	6.44	-5.73	0	275.396	3.387	1	4	2	Cc1cnc(C)c(N[C@H]2CCOC3(CCCCC3)C2)n1
168364786	ZINC000016951460	ref	-2.33	-27.54	0	139.091	-0.489	2	2	2	C[C@@H]([NH3+])C[P@@](=O)([O-])O
192339640	ZINC000273863469	ref	5.53	-7.1	0	264.35	2.789	0	5	6	COCCc1nc(-c2ccc(CSC)cc2)no1
168364788	ZINC000016951460	mid	-2.27	-27.35	0	139.091	-0.489	2	2	2	C[C@@H]([NH3+])C[P@](=O)([O-])O
342078920	ZINC000625300613	high	3.0	-6.17	0	291.391	1.94	3	4	7	COc1cccc(C2(NC[C@H](O)CC3(O)CCC3)CC2)c1
192339647	ZINC000273864781	ref	5.26	-9.9	0	296.392	3.41	0	6	8	COCCC(C)(C)c1nc(CSCc2ccco2)no1
178301818	ZINC000237189121	ref	2.55	-11.9	0	354.248	1.142	2	3	6	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H](N)CC(N)=O
192339651	ZINC000273863264	ref	2.24	-19.31	0	285.394	1.888	0	6	6	Cc1nc(CCCc2nc(C[S@](C)=O)no2)cs1
342078921	ZINC000625300718	ref	4.23	-18.51	0	279.365	1.592	2	3	6	CCc1ccc(CS(=O)(=O)NCc2c[nH]cn2)cc1
192339657	ZINC000273865143	ref	5.33	-11.3	0	280.372	2.372	1	5	4	Cc1cnc(C)c(NCCN(C)C(=O)OC(C)(C)C)n1
178301819	ZINC000237189121	mid	2.86	-39.99	1	354.248	1.142	2	2	6	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@@H]([NH3+])CC(N)=O
192339660	ZINC000273862311	ref	3.1	-25.99	0	262.273	0.255	1	7	5	CCC1(c2nc(-c3ncn(CC(N)=O)n3)no2)CC1
192339664	ZINC000273863544	ref	2.35	-16.49	0	288.369	1.134	0	5	7	CCCc1nc(C(=O)N(CC)CCS(C)(=O)=O)co1
349534757	ZINC000093289669	high	3.56	-9.41	0	256.371	0.985	1	4	8	COCCNCC(=O)N(C)CCc1cccs1
168364789	ZINC000016951460	high	-1.21	-79.9	-1	139.091	-0.489	1	3	2	C[C@@H]([NH3+])CP(=O)([O-])[O-]
168364791	ZINC000019406570	ref	6.28	-42.53	1	185.27	2.73	1	0	2	C[C@@H]([NH3+])Cc1ccc2ccccc2c1
192339666	ZINC000273862329	ref	6.47	-11.46	0	270.296	1.895	0	7	4	CCc1cnccc1-c1noc([C@@H](C)n2cncn2)n1
365634448	ZINC000625072764	ref	2.68	-10.2	0	320.361	2.335	1	4	5	CC(C)Oc1cncc(S(=O)(=O)N[C@H]2CCC(F)(F)C2)c1
343993909	ZINC000599267901	mid	6.31	-44.66	1	259.353	1.81	2	2	6	Cc1ccc(C[N@H+](CC(N)=O)CC(C)C)cc1C#N
282122471	ZINC000261785468	ref	3.4	-56.04	1	277.372	0.393	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C[NH3+])CC2
282122474	ZINC000348844958	ref	6.16	-14.62	0	347.85	1.974	1	5	4	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)N(C)C)CC2
282122476	ZINC000348844958	mid	8.37	-49.28	1	347.85	1.974	2	4	4	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)CC2
365634453	ZINC000625072764	high	2.49	-35.76	-1	320.361	2.335	0	4	5	CC(C)Oc1cncc(S(=O)(=O)[N-][C@H]2CCC(F)(F)C2)c1
365634457	ZINC000625075033	ref	4.87	-5.65	0	309.381	2.395	0	4	5	Fc1ccc([C@H]2CN(CCOC3CCOCC3)CCO2)cc1
365634462	ZINC000625075033	low	6.84	-41.82	1	309.381	2.395	1	3	5	Fc1ccc([C@H]2C[N@H+](CCOC3CCOCC3)CCO2)cc1
365634464	ZINC000625075033	low	7.24	-41.78	1	309.381	2.395	1	3	5	Fc1ccc([C@H]2C[N@@H+](CCOC3CCOCC3)CCO2)cc1
365634469	ZINC000625070896	ref	7.27	-9.61	0	318.425	2.33	1	6	6	CCOC1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)CC1
365634472	ZINC000625073476	ref	6.25	-9.69	0	306.414	2.187	1	6	9	CCOCCN(CC)c1nnc(-c2cn[nH]c2)n1CC(C)C
282122478	ZINC000358698804	ref	4.37	-50.18	1	277.372	0.406	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H](C)C1)CC2
282122480	ZINC000333624311	ref	3.32	-63.81	1	306.414	0.718	3	4	3	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])CC2
282122482	ZINC000171041197	ref	6.45	-17.19	0	343.456	2.438	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1CCSc3ccccc31)CC2
365634477	ZINC000625074840	ref	5.63	-12.73	0	319.43	2.429	1	4	3	Cc1ncc(S(=O)(=O)N[C@H]2CC(C)(C)c3ccccc32)n1C
365634481	ZINC000625070617	ref	7.12	-10.48	0	318.425	2.187	1	6	7	CCOC[C@@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
365634483	ZINC000625072956	ref	3.55	-13.48	0	321.446	2.189	1	5	8	COCCCNC(=O)CN(C)Cc1nc2cc(C)ccc2s1
365634491	ZINC000625074438	ref	2.79	-10.5	0	313.41	2.092	1	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CC[C@H](CCO)C1
365634496	ZINC000625072501	ref	6.38	-10.9	0	318.425	2.33	1	6	6	CCO[C@@H]1CCCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
214190613	ZINC000337633464	ref	-1.91	-13.98	0	276.287	-0.485	3	3	5	O=C1CN(CCNC(=O)NC2(C(F)F)CC2)CCN1
365634501	ZINC000625072379	ref	2.07	-10.32	0	318.464	2.253	1	5	5	CC(C)c1csc(CNS(=O)(=O)[C@H]2COC(C)(C)C2)n1
365634454	ZINC000617428575	ref	3.5	-17.53	0	279.344	0.562	2	5	3	C[C@H]1C[C@H](NC(=O)CNC(=O)C(C)(C)C)c2ncnn21
365634461	ZINC000617427341	ref	3.64	-16.96	0	279.344	0.561	2	5	4	CC(=O)N[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)C(C)C
365634467	ZINC000617426784	ref	5.77	-20.24	0	291.355	0.803	1	5	3	C[C@H]1C[C@@H](NC(=O)CN2CCCCCC2=O)c2ncnn21
365634470	ZINC000617426139	ref	3.13	-16.51	0	258.285	0.812	1	6	2	Cc1nccnc1C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365634474	ZINC000617426366	ref	3.84	-14.26	0	294.355	0.984	1	6	4	CC(C)O[C@]1(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)CCOC1
365634479	ZINC000617425238	ref	6.86	-24.39	0	298.31	0.46	1	8	2	Cc1cnc2nc(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)nn2c1
343993911	ZINC000599267901	mid	4.59	-9.82	0	259.353	1.81	1	3	6	Cc1ccc(CN(CC(N)=O)CC(C)C)cc1C#N
343993913	ZINC000599270667	ref	3.93	-16.04	0	286.397	1.509	0	4	3	CC1(C)C[C@H](S(=O)(=O)N2CCC(CC#N)CC2)CO1
365634485	ZINC000617426364	ref	3.86	-16.55	0	294.355	0.984	1	6	4	CC(C)O[C@]1(C(=O)N[C@H]2C[C@H](C)n3ncnc32)CCOC1
282122475	ZINC000116787481	ref	6.85	-37.75	1	268.401	1.746	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CCCCCC2)CCO1
365634489	ZINC000617429676	ref	4.99	-27.76	0	283.295	0.757	1	7	2	C[C@H]1C[C@H](NC(=O)c2cnn3cccnc23)c2ncnn21
365634495	ZINC000617430423	ref	3.29	-22.01	0	259.269	0.814	2	5	2	C[C@H]1C[C@H](NC(=O)c2ccc[nH]c2=O)c2ncnn21
365634500	ZINC000617426269	ref	6.2	-18.2	0	260.301	0.93	1	6	3	CCn1cnc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c1
365634506	ZINC000617426268	ref	6.2	-18.14	0	260.301	0.93	1	6	3	CCn1cnc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1
365634514	ZINC000617425560	ref	3.02	-21.61	0	259.269	0.814	2	5	2	C[C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)c2ncnn21
365634519	ZINC000617425373	ref	5.07	-19.95	0	250.302	0.968	1	5	2	C[C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)c2ncnn21
342078922	ZINC000625300718	mid	4.2	-17.12	0	279.365	1.592	2	3	6	CCc1ccc(CS(=O)(=O)NCc2cnc[nH]2)cc1
365634522	ZINC000617427342	ref	3.66	-17.25	0	279.344	0.561	2	5	4	CC(=O)N[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)C(C)C
187169703	ZINC000125099247	ref	6.28	-9.08	0	281.762	3.372	1	3	4	Cc1c([C@H](C)NCc2cccc(Cl)c2F)cnn1C
365634527	ZINC000617425559	ref	3.01	-21.11	0	259.269	0.814	2	5	2	C[C@@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)c2ncnn21
365634534	ZINC000617430437	ref	3.34	-20.64	0	283.295	0.985	2	6	2	C[C@H]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)c2ncnn21
342078923	ZINC000625300718	low	4.71	-47.38	1	279.365	1.592	2	2	6	CCc1ccc(CS(=O)(=O)NCc2c[nH+]c[nH]2)cc1
192339636	ZINC000421444342	ref	4.66	-8.23	0	223.316	1.575	1	2	3	O=C(NC[C@@H]1CCOC1)[C@@H]1CC[C@H]2C[C@H]2C1
178301821	ZINC000237195297	ref	2.35	-45.04	1	355.866	1.066	2	4	9	COCC[NH2+]CC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1
192339639	ZINC000421443261	ref	8.25	-6.69	0	243.35	3.028	1	1	3	Cc1cc(C)c(CNC(=O)[C@@H]2CC23CC3)c(C)c1
192339642	ZINC000421442837	ref	8.47	-6.8	0	248.37	3.25	0	2	3	CC[C@H](C)N(C)C(=O)c1ccc(C(C)(C)C)cn1
192339645	ZINC000421441197	ref	9.37	-7.17	0	223.36	3.214	0	1	6	CCCCN(C(=O)[C@@H]1CC12CC2)[C@@H](C)CC
192339648	ZINC000421439260	ref	6.68	-9.53	0	245.313	2.974	1	1	3	C[C@@H]1CCC[C@@H](CNC(=O)[C@]2(C)CC2(F)F)C1
178301825	ZINC000237195297	high	1.02	-11.23	0	355.866	1.066	2	5	9	COCCNCC(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1
192339650	ZINC000421445564	ref	6.9	-7.48	0	249.354	2.203	0	2	1	O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCO[C@H]2CCC[C@H]21
178301828	ZINC000237195938	ref	6.63	-45.02	1	374.222	1.88	1	2	4	C[NH2+]CC(=O)N1CCC(Oc2ccccc2I)CC1
192339653	ZINC000421443044	ref	8.31	-11.38	0	247.313	2.673	1	1	4	C[C@@H](Cc1ccccc1F)NC(=O)[C@@H]1CC12CC2
192339656	ZINC000421444087	ref	6.09	-8.54	0	239.359	2.356	1	2	7	CCOCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
178301832	ZINC000237195938	high	5.19	-10.02	0	374.222	1.88	1	3	4	CNCC(=O)N1CCC(Oc2ccccc2I)CC1
178301835	ZINC000237188231	ref	6.2	-48.32	1	359.47	1.671	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)C1
192339661	ZINC000421445048	ref	7.15	-7.2	0	248.282	2.351	1	3	4	Cc1cc(C)c([N+](=O)[O-])cc1C(=O)NCC1CC1
192339663	ZINC000421443437	ref	8.15	-8.08	0	233.311	2.817	0	2	4	CC(C)N(Cc1ccco1)C(=O)[C@@H]1CC12CC2
192339667	ZINC000421443612	ref	7.35	-10.05	0	233.311	2.674	0	2	3	CN(Cc1ccoc1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
192339670	ZINC000421440102	ref	6.81	-6.25	0	209.333	2.727	1	1	4	CC[C@H](NC(=O)[C@]12CCC[C@H]1C2)C(C)C
192339673	ZINC000421443516	ref	6.69	-8.4	0	245.322	2.673	1	2	4	COc1ccc([C@H](C)NC(=O)[C@@H]2CC23CC3)cc1
192339676	ZINC000421440793	ref	6.18	-9.46	0	211.305	1.527	0	2	4	COCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1
192339679	ZINC000421439748	ref	4.74	-6.28	0	233.258	1.667	0	2	1	C[C@@H]1CN(C(=O)[C@]2(C)CC2(F)F)[C@H](C)CO1
192339682	ZINC000421441199	ref	8.61	-7.77	0	221.344	2.824	0	1	2	C[C@@H]1CCC[C@H](N(C)C(=O)[C@H]2CC23CC3)C1
192339686	ZINC000421444947	ref	6.75	-6.17	0	209.333	2.585	1	1	2	CC(C)(C)CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
192339689	ZINC000421443087	ref	7.15	-5.63	0	223.36	2.973	1	1	4	CC[C@H](NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)C(C)C
192339692	ZINC000421442522	ref	5.87	-11.47	0	225.263	1.853	0	2	4	COCCN(C)C(=O)c1cccc(F)c1C
282122477	ZINC000116787481	high	4.29	-7.23	0	268.401	1.746	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2CCCCCC2)CCO1
192339665	ZINC000081923335	ref	5.33	-45.5	1	305.399	2.43	1	3	6	C[NH2+][C@@H](CS(=O)(=O)c1ccc(OC)cc1)c1ccccc1
342595690	ZINC000616963355	ref	2.63	-17.47	0	276.336	1.193	2	3	5	COc1ccc([C@H](C)CC(=O)N[C@@H]2CCNC2=O)cc1
192339668	ZINC000081923335	mid	4.34	-10.09	0	305.399	2.43	1	4	6	CN[C@@H](CS(=O)(=O)c1ccc(OC)cc1)c1ccccc1
192339671	ZINC000081922750	ref	3.6	-40.0	1	324.229	2.144	1	3	3	C[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl
192339672	ZINC000081922750	high	2.68	-8.77	0	324.229	2.144	1	4	3	CN[C@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl
365634455	ZINC000122988037	ref	4.62	-28.62	1	283.375	2.499	1	2	3	CCc1cc(N2CCC[C@H](C(N)=O)C2)c2ccccc2[nH+]1
192339675	ZINC000081925468	ref	5.68	-9.75	0	320.443	2.568	0	6	2	CC1(C)CN(C(=O)c2csc(-c3cnccn3)n2)CCS1
192339678	ZINC000081928305	ref	6.73	-4.39	0	304.209	3.01	0	3	1	CC1(C)CN(C(=O)c2ccc(Br)o2)CCS1
199273344	ZINC000294964709	low	7.88	-112.06	2	259.397	2.147	2	1	5	Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1
192339681	ZINC000081928370	ref	5.43	-39.84	1	311.447	2.341	1	3	5	C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CC(C)C
192339683	ZINC000081928370	mid	4.21	-12.66	0	311.447	2.341	1	4	5	CN[C@@H]1c2ccc(OC)cc2CC[C@@H]1S(=O)(=O)CC(C)C
197592918	ZINC000162803489	ref	2.19	-9.84	0	301.383	1.882	2	3	4	Cc1cc(S(=O)(=O)NC[C@H]2CCC[C@@H]2O)cc(C)c1F
192339685	ZINC000081924300	ref	4.41	-46.42	1	313.419	2.279	1	4	5	CC[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCO2
192339688	ZINC000081924300	mid	3.32	-14.06	0	313.419	2.279	1	5	5	CCN[C@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCO2
282122479	ZINC000134365473	ref	9.08	-40.74	1	316.445	2.188	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1
187169704	ZINC000125099247	mid	7.54	-44.53	1	281.762	3.372	1	2	4	Cc1c([C@H](C)[NH2+]Cc2cccc(Cl)c2F)cnn1C
192339694	ZINC000081924146	ref	3.1	-53.99	1	313.419	2.061	1	4	3	CC(C)(C)S(=O)(=O)C[C@@H]([NH3+])c1ccc2c(c1)OCCCO2
192339697	ZINC000081924146	mid	2.65	-15.17	0	313.419	2.061	1	5	3	CC(C)(C)S(=O)(=O)C[C@@H](N)c1ccc2c(c1)OCCCO2
192339700	ZINC000081926295	ref	3.97	-38.02	1	315.435	2.179	1	4	9	CCC[NH2+][C@H](CS(=O)(=O)CC)c1cc(OC)ccc1OC
323004518	ZINC000127009089	ref	6.54	-9.55	0	239.359	2.642	1	2	4	CCC1(CNC(=O)[C@@H]2CCCCO2)CCCC1
342595691	ZINC000590781537	ref	5.36	-9.94	0	286.335	1.362	2	4	4	Cc1nc(NC(=O)C(=O)NC[C@@H](C)C2CC2)ccc1C#N
343993915	ZINC000139235667	ref	2.46	-6.83	0	170.256	0.81	1	2	3	CC[C@@H]1NCC(=O)N1CC(C)C
192339669	ZINC000273863410	ref	4.5	-7.98	0	276.34	2.84	0	6	4	Cc1noc(CCc2nc([C@H]3CCC[C@@H](C)C3)no2)n1
192339674	ZINC000273862445	ref	5.2	-11.98	0	276.34	2.41	0	6	5	C[C@H]1CCCC[C@H]1OCc1noc(Cn2cccn2)n1
343993918	ZINC000139247357	ref	4.79	-6.87	0	147.177	1.84	0	2	2	C/C=C/C(=O)c1ccccn1
343993922	ZINC000139235790	ref	2.46	-6.54	0	170.256	0.81	1	2	3	CC[C@H]1NCC(=O)N1CC(C)C
192339677	ZINC000273861262	ref	6.43	-11.37	0	260.341	3.01	0	5	2	C[C@H]1C[C@@H](C)C[C@H](c2nc(-c3nccn3C)no2)C1
192339680	ZINC000273862758	ref	10.03	-7.64	0	274.364	2.883	0	4	3	CC(C)OC(=O)c1cccnc1N1C[C@H]2CCC[C@H]2C1
192339684	ZINC000273863187	ref	6.63	-5.95	0	252.676	3.33	0	3	3	Fc1ccc(Cc2noc(C3CC3)n2)c(Cl)c1
187169705	ZINC000125096501	ref	3.54	-54.23	-1	253.273	1.518	1	3	2	C[C@@]1(CO)CCCN1C(=O)c1c([O-])cccc1F
192339687	ZINC000273863852	ref	3.23	-6.5	0	263.366	2.475	2	5	4	Cc1cnc(C)c(NC[C@@](C)(O)c2cccs2)n1
343993925	ZINC000139238741	ref	3.24	-16.33	0	192.182	0.089	3	4	2	Cc1cc(C(=O)Nc2nc[nH]n2)n[nH]1
187169706	ZINC000125096501	mid	2.77	-12.99	0	253.273	1.518	2	3	2	C[C@@]1(CO)CCCN1C(=O)c1c(O)cccc1F
187169707	ZINC000125095523	ref	5.11	-43.33	1	262.357	1.145	2	3	3	CNc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)cn1
349534758	ZINC000258925525	ref	7.13	-40.89	1	245.33	1.492	2	4	4	C[NH+]1CCC(CCNc2cc(C#N)ncn2)CC1
342078924	ZINC000625300718	low	4.7	-47.57	1	279.365	1.592	2	2	6	CCc1ccc(CS(=O)(=O)NCc2c[nH]c[nH+]2)cc1
192339693	ZINC000273863413	ref	4.26	-7.95	0	276.34	2.84	0	6	4	Cc1noc(CCc2nc([C@H]3CCC[C@H](C)C3)no2)n1
192339696	ZINC000273864449	ref	4.71	-14.61	0	298.35	2.762	0	7	2	Cc1cnc(-c2noc(-c3cnn(C(C)(C)C)c3C)n2)nc1
187169708	ZINC000125093985	ref	4.7	-9.18	0	299.37	2.722	2	3	6	CO[C@](C)(C(=O)Nc1ccc(CCO)cc1)c1ccccc1
349534763	ZINC000258903518	ref	3.78	-13.98	0	215.256	1.897	2	3	3	N#CCCNc1ccc2c(c1)CCC(=O)N2
349534771	ZINC000602430699	ref	7.15	-44.8	1	238.287	1.836	1	4	4	COC(=O)c1cc(C[N@H+](C)C2CCCC2)on1
192339699	ZINC000273864836	ref	6.21	-7.42	0	298.264	3.103	0	4	4	COC1(c2noc(Cc3cc(F)c(F)cc3F)n2)CCC1
342078925	ZINC000625300252	ref	6.53	-50.46	1	264.373	1.426	2	3	4	CCn1cc(C(=O)N[C@H]2CCC[N@H+](CC)C2)c(C)n1
342078926	ZINC000625300252	mid	6.0	-47.47	1	264.373	1.426	2	3	4	CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CC)C2)c(C)n1
342078927	ZINC000625300252	high	3.78	-12.47	0	264.373	1.426	1	4	4	CCN1CCC[C@H](NC(=O)c2cn(CC)nc2C)C1
361823462	ZINC000616604804	ref	1.89	-7.97	0	254.355	1.059	1	3	3	CC[C@@H]1CNCCN1S(=O)(=O)c1ccccc1
342078928	ZINC000625299029	ref	2.76	-17.42	0	287.385	1.034	2	4	7	CO[C@@H](CS(=O)(=O)NCc1c[nH]cn1)C1CCCC1
299072194	ZINC000354603694	ref	1.49	-31.32	0	340.424	0.11	3	4	7	CCCC[C@H](NC(N)=O)C(=O)N[C@H]1CCN(C2CCOCC2)C1=O
168364793	ZINC000302480176	ref	8.05	-30.49	1	237.391	2.934	1	2	8	CCC(CC)C[NH2+][C@H](Cn1cccn1)C(C)C
299072199	ZINC000354603356	ref	3.4	-24.75	0	328.38	0.644	3	7	3	Cc1nc(CN2CCN(c3nc4[nH][nH]cc-4c(=N)n3)CC2)oc1C
342078929	ZINC000625299029	mid	2.73	-15.95	0	287.385	1.034	2	4	7	CO[C@@H](CS(=O)(=O)NCc1cnc[nH]1)C1CCCC1
168364799	ZINC000036976876	ref	4.75	-39.69	1	212.337	1.681	2	1	5	CCC(CC)C[NH2+][C@H]1CCCCNC1=O
342078930	ZINC000625299029	low	3.24	-46.21	1	287.385	1.034	2	3	7	CO[C@@H](CS(=O)(=O)NCc1c[nH+]c[nH]1)C1CCCC1
342078931	ZINC000625299029	low	3.23	-46.3	1	287.385	1.034	2	3	7	CO[C@@H](CS(=O)(=O)NCc1c[nH]c[nH+]1)C1CCCC1
349535964	ZINC000258988730	ref	7.07	-59.18	1	227.311	2.522	2	1	5	Cc1[nH]c2ccccc2c1CC[NH2+]CCC#N
361823467	ZINC000616604804	mid	3.2	-49.14	1	254.355	1.059	1	2	3	CC[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccc1
361823472	ZINC000531821920	ref	6.05	-19.57	0	299.309	1.544	1	5	4	Cc1cc(F)ccc1CCNC(=O)c1ccc2nnnn2c1
361823479	ZINC000616604803	ref	3.94	-49.72	1	261.369	2.0	2	2	3	CC(=O)Nc1ccccc1[C@@H]1C[NH2+]CCN1C(C)C
361823483	ZINC000616604803	high	2.58	-6.88	0	261.369	2.0	2	3	3	CC(=O)Nc1ccccc1[C@@H]1CNCCN1C(C)C
361823488	ZINC000616604634	ref	1.72	-14.59	0	258.281	1.082	1	4	1	NC(=O)N1CCO[C@@H](c2cnnc3ccccc23)C1
361823503	ZINC000531821630	ref	4.25	-49.36	-1	263.345	1.521	1	4	4	CC[C@]1(C)C[C@H]1C(=O)NC1(c2nnn[n-]2)CCCC1
361823505	ZINC000531821630	mid	4.25	-49.39	-1	263.345	1.521	1	4	4	CC[C@]1(C)C[C@H]1C(=O)NC1(c2nn[n-]n2)CCCC1
361823509	ZINC000531821630	mid	4.24	-8.22	0	263.345	1.521	2	4	4	CC[C@]1(C)C[C@H]1C(=O)NC1(c2nn[nH]n2)CCCC1
361823515	ZINC000531822294	ref	6.13	-11.32	0	273.34	1.777	0	5	3	CCC1(CC)CCN(C(=O)c2ccc3nnnn3c2)C1
361823521	ZINC000531822929	ref	4.66	-21.3	0	299.334	1.931	2	5	4	Cc1nn(C)c(C)c1OCC(=O)Nc1ccc2n[nH]cc2c1
361823527	ZINC000616604707	ref	4.76	-62.31	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+]C[C@@H]1c1ccnc2ccccc12
398249045	ZINC000367282784	ref	3.0	-5.57	0	239.702	2.152	1	3	2	Clc1cccc2c1[C@H](N[C@H]1CCOC1)CO2
398249048	ZINC000367282784	mid	4.0	-37.05	1	239.702	2.152	1	2	2	Clc1cccc2c1[C@H]([NH2+][C@H]1CCOC1)CO2
178301836	ZINC000008729959	ref	0.73	-9.96	0	205.217	1.341	3	4	1	Cc1cc2nc(NO)c(=O)[nH]c2cc1C
342078932	ZINC000625299259	ref	3.14	-45.43	1	293.348	1.212	2	4	4	C[C@@H]1Cc2cc(S(=O)(=O)NCc3c[nH]cn3)ccc2O1
342078933	ZINC000625299259	mid	3.13	-45.45	1	293.348	1.212	2	4	4	C[C@@H]1Cc2cc(S(=O)(=O)NCc3cnc[nH]3)ccc2O1
178301848	ZINC000095756203	ref	5.73	-3.82	0	218.108	3.912	0	2	0	Cc1cc2nc(Cl)cc(Cl)c2s1
398249051	ZINC000367347995	ref	1.05	-97.21	2	203.261	-0.589	3	1	4	C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1
398249062	ZINC000367347995	high	-0.34	-45.6	1	203.261	-0.589	3	2	4	C[NH2+][C@H](C)CNC(=O)[C@H]1C[C@H](F)CN1
398249066	ZINC000367214076	ref	5.94	-93.16	2	240.391	1.704	3	1	4	C[NH+]1[C@H]2CC[C@@H]1CC([N@H+](C)CCC(C)(C)O)C2
398249070	ZINC000367214076	mid	5.93	-91.63	2	240.391	1.704	3	1	4	C[NH+]1[C@H]2CC[C@@H]1CC([N@@H+](C)CCC(C)(C)O)C2
365634459	ZINC000122988037	high	4.31	-12.71	0	283.375	2.499	1	3	3	CCc1cc(N2CCC[C@H](C(N)=O)C2)c2ccccc2n1
168364796	ZINC000034173828	ref	4.9	-38.17	1	199.338	2.565	1	1	3	C[C@@H]([NH3+])COC1C(C)(C)CCC1(C)C
398249074	ZINC000367214076	mid	5.62	-91.7	2	240.391	1.704	3	1	4	C[NH+](CCC(C)(C)O)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C
178301873	ZINC000062529379	ref	0.69	-6.09	0	227.061	2.481	1	3	0	Cc1cc2nc(N)oc2cc1Br
168364798	ZINC000083278615	ref	3.35	-45.87	1	193.168	2.188	1	1	2	C[C@@H]([NH3+])Cc1ccc(C(F)(F)F)o1
398249077	ZINC000367214076	mid	5.93	-91.63	2	240.391	1.704	3	1	4	C[NH+](CCC(C)(C)O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C
299072196	ZINC000121486005	ref	8.4	-11.63	0	305.426	2.505	1	4	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1nnc2n1CCCC2
398249081	ZINC000367214076	mid	3.62	-32.07	1	240.391	1.704	2	2	4	CN1[C@H]2CC[C@@H]1CC([N@H+](C)CCC(C)(C)O)C2
185088801	ZINC000096072430	ref	3.8	-12.17	0	296.392	1.748	0	5	3	CC(=O)N1CC[C@]2(C[C@@H](OCc3csc(C)n3)CO2)C1
178301882	ZINC000051848235	ref	4.47	-53.65	-1	234.255	1.23	1	5	3	Cc1cc2nc(CO)n(CC(=O)[O-])c2cc1C
259308276	ZINC000356845879	high	3.62	-5.54	0	248.37	2.479	2	3	8	C=CC[C@H](CO)CN[C@H](C)c1ncccc1CC
178301890	ZINC000004218774	ref	6.55	-9.88	0	217.659	2.844	0	3	0	Cc1cc2nc(Cl)c3ccccc3n2n1
398249084	ZINC000367214076	mid	3.64	-31.92	1	240.391	1.704	2	2	4	CN1[C@H]2CC[C@@H]1CC([N@@H+](C)CCC(C)(C)O)C2
398249087	ZINC000367214076	high	5.47	-31.22	1	240.391	1.704	2	2	4	CN(CCC(C)(C)O)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C
168364806	ZINC000044461579	ref	-1.85	-58.0	1	169.184	-1.047	3	2	2	C[C@@H]([NH3+])Cc1c[nH]c(=O)[nH]c1=O
342595692	ZINC000616963903	ref	2.71	-19.45	0	276.336	1.193	2	3	5	COc1ccccc1[C@@H](C)CC(=O)N[C@H]1CCNC1=O
197592924	ZINC000290094170	ref	6.65	-7.55	0	289.297	3.04	1	2	4	COc1ccccc1C(C)(C)C(=O)N[C@@H](C)C(F)(F)F
192339695	ZINC000421439258	ref	6.68	-9.53	0	245.313	2.974	1	1	3	C[C@@H]1CCC[C@@H](CNC(=O)[C@@]2(C)CC2(F)F)C1
342595693	ZINC000616964083	ref	1.43	-19.28	0	256.352	1.088	2	4	3	CSc1ccsc1C(=O)N[C@@H]1CCNC1=O
342595694	ZINC000616964045	ref	3.56	-22.0	0	285.347	1.277	3	2	4	CCc1cccc2c(CC(=O)N[C@H]3CCNC3=O)c[nH]c12
187169709	ZINC000125091645	ref	4.58	-10.69	0	270.279	2.006	1	3	5	COc1cc(F)c(NCC(=O)N(C)C2CC2)cc1F
168364795	ZINC000368497229	ref	4.36	-14.75	0	339.399	3.341	2	6	4	Cc1nn(C)c(N)c1C(=O)Nc1ccc(-c2ncc(C(C)C)o2)cc1
187169710	ZINC000125098468	ref	4.9	-41.08	1	287.363	2.603	1	4	7	COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2cnccn2)c1
168364797	ZINC000368496179	ref	7.22	-36.14	1	338.536	3.058	1	3	6	CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C[C@@H]3CCCO3)C[C@H]2C)C1(C)C
365634465	ZINC000122994466	ref	7.25	-9.19	0	279.38	2.018	1	3	2	C[C@@H]1CC[C@H](C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)O1
365634473	ZINC000122971109	ref	5.85	-32.27	1	258.163	2.198	1	2	5	C=C[C@H](C)[NH2+][C@@H](C)Cn1cc(Br)cn1
192339698	ZINC000421441196	ref	9.37	-7.12	0	223.36	3.214	0	1	6	CCCCN(C(=O)[C@H]1CC12CC2)[C@@H](C)CC
398249046	ZINC000651463563	high	5.79	-7.21	0	285.391	3.324	2	3	5	COc1cccc([C@@H]2C[C@@H](N[C@H](C)c3c[nH]nc3C)C2)c1
192339705	ZINC000421442891	ref	7.73	-8.51	0	223.291	3.006	0	1	4	CCCN(CC)C(=O)c1cccc(F)c1C
342595695	ZINC000616963983	ref	3.77	-17.61	0	258.321	1.031	2	2	3	Cc1ccccc1C1(C(=O)N[C@@H]2CCNC2=O)CC1
192339708	ZINC000421442301	ref	6.95	-13.24	0	249.358	2.062	0	3	4	CCN(C(=O)Cc1cc(C)nn1C)C1CCCC1
365634478	ZINC000122992224	ref	5.48	-10.35	0	280.343	2.281	0	3	3	COC[C@@H](C)C(=O)N1CCCN(C)c2ccc(F)cc21
128584828	ZINC000336811113	ref	3.96	-11.25	0	260.268	2.79	1	3	3	COc1cc(NC(=O)c2ccc(F)cc2C)ccn1
192339710	ZINC000421440090	ref	7.46	-6.45	0	223.36	2.973	1	1	4	CC[C@H](C)[C@H](C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
214190625	ZINC000337634322	ref	6.61	-7.78	0	284.444	3.317	2	2	10	CCOCCC1(CNC(=O)N[C@@H](C)C[C@H](C)CC)CC1
192339713	ZINC000421441942	ref	5.09	-10.87	0	237.347	2.074	1	3	5	CC[C@H](NC(=O)[C@H](C)c1ccnn1C)C(C)C
299072197	ZINC000567662944	ref	3.2	-16.89	0	296.392	2.198	2	3	5	CC(=O)Nc1ccc(C)c(S(=O)(=O)NCC=C(C)C)c1
342595696	ZINC000616963490	ref	4.1	-16.72	0	272.348	1.186	2	2	2	C[C@@]1(C(=O)N[C@@H]2CCNC2=O)CCc2ccccc2C1
199273024	ZINC000181262679	ref	6.21	-12.64	0	314.385	1.427	1	3	4	O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1OCCc2ccccc21
187169711	ZINC000125098468	high	3.68	-8.8	0	287.363	2.603	1	5	7	COc1cccc(O[C@H](C)CN[C@H](C)c2cnccn2)c1
343993916	ZINC000599268632	ref	1.7	-12.27	0	297.355	1.219	1	7	6	CCOC(=O)C[C@@H](O)CN1CCCC[C@@H]1c1noc(C)n1
365634471	ZINC000336551644	ref	3.09	-20.14	0	261.325	2.386	1	3	3	CN(C(=O)[C@@H]1CCC[C@H](C(N)=O)C1)c1cccnc1
365634475	ZINC000336551708	ref	6.58	-12.57	0	286.375	2.361	1	2	3	CC(=O)NCc1ccc(C(=O)N2CC(C)=C[C@@H](C)C2)cc1
365634482	ZINC000336551194	ref	5.41	-9.66	0	282.39	2.237	1	4	3	O=C1N[C@@H](c2cccs2)C(=O)N1C[C@H]1CCCS1
187169713	ZINC000125093786	ref	6.01	-18.61	0	290.407	2.459	2	2	7	CNC(=O)C(C)(C)CNC(=O)CC[C@H](C)c1ccccc1
365634488	ZINC000336551446	ref	4.24	-11.44	0	280.393	2.016	2	3	3	CCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)sc1C
199273026	ZINC000181261926	ref	5.99	-41.38	1	314.223	3.116	1	2	4	COc1c(Br)cccc1C[NH2+][C@H]1CCCOCC1
168364800	ZINC000368496179	mid	9.4	-107.17	2	338.536	3.058	2	2	6	CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1(C)C
365634498	ZINC000336551552	ref	6.12	-24.69	0	266.297	2.147	1	4	2	Cc1cc(NC(=O)c2sccc2F)c(=O)n(C)c1
365634502	ZINC000336551230	ref	6.15	-10.68	0	269.295	2.164	0	3	3	O=C(c1ccnn1CC(F)F)N1CC2(CCCC2)C1
168364802	ZINC000368496179	mid	9.5	-102.98	2	338.536	3.058	2	2	6	CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1(C)C
343993919	ZINC000599270743	ref	6.74	-49.5	1	270.373	1.178	2	3	7	COC(=O)CCCC[NH+]1CCC(CNC(C)=O)CC1
343993920	ZINC000599269001	ref	3.82	-8.39	0	294.298	1.002	1	4	4	COC(=O)[C@@H](CC(F)F)NC(=O)N1C[C@H](C)O[C@H](C)C1
199273028	ZINC000181260267	ref	4.07	-58.97	-1	301.346	2.259	1	5	4	COc1ccc(-n2cc([O-])c(C(=O)NC3(C)CCC3)n2)cc1
168364803	ZINC000368499071	ref	8.16	-53.22	1	328.456	3.155	2	2	6	O=C1CC[C@@H]([NH2+]Cc2cccc(OC3CCCC3)c2)[C@H](C2CC2)N1
168364807	ZINC000368499071	high	7.0	-8.25	0	328.456	3.155	2	3	6	O=C1CC[C@@H](NCc2cccc(OC3CCCC3)c2)[C@H](C2CC2)N1
199273030	ZINC000181260267	low	4.81	-14.61	0	301.346	2.259	1	5	4	COc1ccc(N2CC(=O)C(C(=O)NC3(C)CCC3)=N2)cc1
214190428	ZINC000053603636	ref	5.12	-8.49	0	329.4	3.301	0	6	4	CC(C)c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)no1
259308278	ZINC000394126158	ref	2.43	-9.39	0	248.326	1.762	2	3	6	CC[C@](C)(CCO)NC(=O)/C=C\c1cccnc1
343993921	ZINC000079909857	ref	3.93	-11.83	0	292.36	2.277	1	4	5	C[C@@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cccnc2)o1
197592925	ZINC000162804566	ref	7.07	-43.82	1	306.45	2.898	2	2	10	CCCC[C@@H](C[NH3+])NC(=O)Cc1ccc(OCC(C)C)cc1
343993924	ZINC000079909857	high	3.55	-45.75	-1	292.36	2.277	0	4	5	C[C@@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2)o1
190493656	ZINC000269432649	ref	2.75	-17.01	0	252.314	0.459	1	3	4	C=CC(=O)NCCC(=O)N1CCO[C@H]2CCC[C@@H]21
168364804	ZINC000125064358	ref	7.41	-40.3	1	239.403	3.504	1	1	5	CCC(CC)C[NH2+][C@H]1CCOC2(CCCC2)C1
349534759	ZINC000594968550	ref	8.33	-49.76	1	288.42	2.666	1	4	9	C=CCCSCC[NH2+]Cc1cnnn1-c1ccccc1
342078934	ZINC000625299259	low	3.14	-45.43	1	293.348	1.212	2	3	4	C[C@@H]1Cc2cc(S(=O)(=O)NCc3c[nH+]c[nH]3)ccc2O1
187169716	ZINC000125091829	ref	5.01	-6.2	0	278.381	3.202	1	6	5	Cc1cnc([C@H](C)Nc2cc(OC(C)C)ncn2)s1
192037622	ZINC000273074712	ref	8.31	-39.86	1	272.392	2.453	2	1	2	Cc1cccc([C@H]2CC[N@@H+]([C@@H]3CCCCNC3=O)C2)c1
187169717	ZINC000125095987	ref	6.21	-65.95	1	293.323	1.427	1	4	4	CCOc1ccc(C(=O)N2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-]
192037624	ZINC000273074712	mid	8.1	-39.13	1	272.392	2.453	2	1	2	Cc1cccc([C@H]2CC[N@H+]([C@@H]3CCCCNC3=O)C2)c1
282122481	ZINC000134365473	high	6.58	-10.35	0	316.445	2.188	0	3	5	CN(C)C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1
187169718	ZINC000125095987	mid	4.89	-16.8	0	293.323	1.427	1	5	4	CCOc1ccc(C(=O)N2CCNC[C@H]2C)cc1[N+](=O)[O-]
342078935	ZINC000625299259	low	3.13	-45.45	1	293.348	1.212	2	3	4	C[C@@H]1Cc2cc(S(=O)(=O)NCc3c[nH]c[nH+]3)ccc2O1
342078936	ZINC000617964430	ref	7.72	-9.85	0	276.34	1.694	1	6	6	CC(C)(C)OC(=O)CCCCNc1cc(C#N)ncn1
342078937	ZINC000625300592	ref	4.19	-17.09	0	277.349	1.385	2	3	5	O=S(=O)(NCc1c[nH]cn1)[C@@H]1C[C@H]1c1ccccc1
342078938	ZINC000625300592	mid	4.16	-15.78	0	277.349	1.385	2	3	5	O=S(=O)(NCc1cnc[nH]1)[C@@H]1C[C@H]1c1ccccc1
168364812	ZINC000083355541	ref	7.38	-10.1	0	227.311	3.278	1	3	5	CCC(CC)CNc1ccc(C#N)c(C#N)c1
192037626	ZINC000273074712	high	7.66	-6.95	0	272.392	2.453	1	2	2	Cc1cccc([C@H]2CCN([C@@H]3CCCCNC3=O)C2)c1
342078939	ZINC000625300592	low	4.67	-46.15	1	277.349	1.385	2	2	5	O=S(=O)(NCc1c[nH+]c[nH]1)[C@@H]1C[C@H]1c1ccccc1
192037630	ZINC000273075589	ref	6.58	-45.23	1	297.345	3.335	1	2	6	C[C@@]1([NH2+]Cc2cccc(OC(F)F)c2)CCO[C@H]1C1CC1
192037632	ZINC000273075589	high	5.39	-6.36	0	297.345	3.335	1	3	6	C[C@@]1(NCc2cccc(OC(F)F)c2)CCO[C@H]1C1CC1
299072198	ZINC000459275536	ref	4.89	-9.48	0	304.381	2.613	2	2	4	CC[C@H]1[C@@H](CO)CCN1C(=O)NC1CCC(C(F)F)CC1
342078940	ZINC000625300592	low	4.66	-46.24	1	277.349	1.385	2	2	5	O=S(=O)(NCc1c[nH]c[nH+]1)[C@@H]1C[C@H]1c1ccccc1
192339707	ZINC000273864817	ref	4.19	-11.35	0	284.319	2.676	1	5	4	COc1ccccc1Cc1noc(-c2n[nH]c(C)c2C)n1
192339709	ZINC000273864132	ref	6.62	-19.64	0	267.394	2.283	0	2	5	CCN(C)C(=O)C[S@@](=O)[C@H](C)c1cccc(C)c1
192339714	ZINC000273861390	ref	8.04	-8.52	0	285.347	2.696	1	5	6	CC(C)OC(=O)c1cccnc1NCCc1ccncc1
192339715	ZINC000273864154	ref	5.4	-21.28	0	275.32	1.692	0	2	5	CCN(C)C(=O)C[S@](=O)Cc1ccc(F)c(F)c1
192339719	ZINC000273864191	ref	4.13	-12.2	0	296.33	2.791	0	6	3	c1cnc2cc(-c3noc(C[C@H]4CCCCO4)n3)ccc2n1
365634484	ZINC000123074286	ref	7.77	-49.07	1	295.427	2.123	3	2	3	C[C@H]1CC[N@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C
342078941	ZINC000625298299	ref	6.85	-15.56	0	299.33	1.786	1	4	2	O=C(c1cc(=O)[nH]cn1)N1CCCO[C@H](c2ccccc2)C1
192339722	ZINC000273862940	ref	4.41	-16.31	0	292.364	1.993	2	4	4	Cc1nc(-c2ccc(C)c(NS(=O)(=O)C3CC3)c2)n[nH]1
192339725	ZINC000273861428	ref	8.06	-13.03	0	282.347	3.206	0	5	5	C[C@H](CCc1nc(-c2nccn2C)no1)c1ccccc1
192339728	ZINC000273861800	ref	1.82	-16.1	0	260.293	0.383	2	4	5	CN(C[C@H](O)CO)C(=O)/C=C/c1ccc(C#N)cc1
342078942	ZINC000625298299	high	5.69	-42.55	-1	299.33	1.786	0	4	2	O=C(c1cc(=O)[n-]cn1)N1CCCO[C@H](c2ccccc2)C1
192339732	ZINC000273864931	ref	6.78	-6.81	0	278.352	2.485	1	5	5	CCOC(=O)c1cccnc1NC[C@H]1CCO[C@H](C)C1
365634490	ZINC000123074286	mid	7.65	-48.26	1	295.427	2.123	3	2	3	C[C@H]1CC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C
192339739	ZINC000273865039	ref	5.58	-8.18	0	260.341	3.169	0	5	3	C[C@@H]1CCC[C@@H](c2noc([C@@H](C)n3cccn3)n2)C1
192339742	ZINC000273864974	ref	6.48	-11.89	0	285.307	2.113	0	7	3	COC1(c2noc(-c3ccc4nnc(C)n4c3)n2)CCC1
192339745	ZINC000273864892	ref	5.89	-7.84	0	287.363	2.864	0	5	5	Cc1ccc(Cc2noc(CC[C@H]3CC[C@H](C)O3)n2)cn1
192339748	ZINC000273864892	low	6.32	-31.71	1	287.363	2.864	0	4	5	Cc1ccc(Cc2noc(CC[C@H]3CC[C@H](C)O3)n2)c[nH+]1
299072201	ZINC000459274461	ref	6.02	-10.67	0	306.406	2.977	2	3	5	COc1ccc(CN(C)C(=O)N[C@H]2C[C@@]2(C)C(C)C)cc1O
168364809	ZINC000044461579	high	-3.69	-65.49	0	169.184	-1.047	2	2	2	C[C@@H]([NH3+])Cc1c[nH]c(=O)[n-]c1=O
192339753	ZINC000273865164	ref	3.99	-15.09	0	258.325	2.423	2	4	3	Cc1cnc(C)c(NCc2c(C)cc(C)[nH]c2=O)n1
365634493	ZINC000123074286	high	5.6	-17.37	0	295.427	2.123	2	3	3	C[C@H]1CCN(CC(=O)NC(=O)NC2CCCCC2)C[C@@H]1C
178301838	ZINC000237182726	ref	7.5	-43.19	1	355.438	1.85	2	3	8	C[NH2+]CC(=O)N(C)c1ccccc1C(=O)NCCc1ccc(OC)cc1
178301839	ZINC000237182726	high	6.05	-16.52	0	355.438	1.85	2	4	8	CNCC(=O)N(C)c1ccccc1C(=O)NCCc1ccc(OC)cc1
178301842	ZINC000237198192	ref	5.16	-15.47	0	352.438	1.838	2	4	4	CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccccc3N)c2)CC1
365634497	ZINC000122995448	ref	3.6	-5.5	0	277.364	2.147	1	3	8	C=CCOc1ccc(C[NH2+]C[C@]2(OC)CCOC2)cc1
365634503	ZINC000122995448	high	3.6	-5.5	0	277.364	2.147	1	4	8	C=CCOc1ccc(CNC[C@]2(OC)CCOC2)cc1
178301845	ZINC000237198192	mid	7.5	-53.85	1	352.438	1.838	3	3	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccccc3N)c2)CC1
178301847	ZINC000237183655	ref	6.14	-94.55	2	372.473	1.704	3	5	7	Cc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c(OCC[NH+](C)C)c1
199273029	ZINC000294964730	ref	9.53	-10.02	0	299.386	3.484	0	2	5	Cc1ccc(C[C@@H]2CCCN2C(=O)CSC(F)F)cc1
178301850	ZINC000237183655	high	3.66	-54.91	1	372.473	1.704	2	6	7	Cc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c(OCCN(C)C)c1
365634508	ZINC000123047481	ref	4.84	-41.76	1	298.427	2.303	3	3	6	C=CCC[C@H](O)C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1
178301852	ZINC000237180403	ref	5.41	-66.53	0	357.457	1.366	1	7	7	CN(C)[C@@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1cccs1
178301855	ZINC000237180403	mid	5.41	-66.53	0	357.457	1.366	2	6	7	Cn1cc(S(=O)(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1C(=O)[O-]
178301857	ZINC000237183763	ref	4.23	-48.32	1	360.863	1.795	2	4	6	COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c1
199273031	ZINC000294964753	ref	5.24	-15.12	0	292.379	1.277	2	3	9	CNC(=O)CCCNC(=O)[C@@H](C)OCCc1ccccc1
365634512	ZINC000123047481	high	2.56	-6.66	0	298.427	2.303	2	4	6	C=CCC[C@H](O)CN1CCC(NC(=O)OC(C)(C)C)CC1
306234656	ZINC000557913673	ref	5.24	-14.41	0	327.363	1.684	2	6	7	OC[C@@H](NCc1nnnn1Cc1ccccc1)c1ccc(F)cc1
199273035	ZINC000294963141	ref	6.29	-46.62	1	251.305	1.462	2	1	1	C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cc(F)c[nH]1
199273037	ZINC000294963141	mid	6.01	-46.22	1	251.305	1.462	2	1	1	C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cc(F)c[nH]1
199273038	ZINC000294963141	high	4.05	-9.35	0	251.305	1.462	1	2	1	C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cc(F)c[nH]1
365634505	ZINC000625072379	high	1.69	-42.91	-1	318.464	2.253	0	5	5	CC(C)c1csc(C[N-]S(=O)(=O)[C@H]2COC(C)(C)C2)n1
365634510	ZINC000625071638	ref	6.8	-10.47	0	318.425	2.328	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@@H](C)OC(C)(C)C1
342078943	ZINC000625299838	ref	4.37	-8.44	0	292.354	1.587	2	2	2	C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1
342078944	ZINC000625299838	mid	6.73	-44.59	1	292.354	1.587	2	2	2	C[N@H+]1CCC[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1
365634513	ZINC000625074976	ref	4.95	-14.26	0	303.387	2.035	1	4	3	CC(C)N1C[C@@H](NC(=O)c2nccc3ccsc23)CC1=O
342078945	ZINC000625299838	high	4.37	-8.44	0	292.354	1.587	1	3	2	CN1CCC[C@@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1
342078946	ZINC000625298383	ref	6.88	-13.43	0	272.352	1.315	0	4	2	O=C(N1CCCN(c2cccnn2)CC1)C12CC(C1)C2
365634520	ZINC000625071891	ref	4.89	-12.14	0	318.425	2.065	2	6	9	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(CCCCO)C1CC1
187169719	ZINC000125099045	ref	2.33	-15.4	0	292.379	1.88	3	3	5	C[C@H](O)C[C@H]1CCCN1C(=O)NCCc1cccc(O)c1
365634525	ZINC000625074675	ref	5.4	-8.13	0	308.397	2.361	1	3	4	CC(C)(C)CNC(=O)CN1CCO[C@@H](c2ccc(F)cc2)C1
365634529	ZINC000625071461	ref	5.99	-9.64	0	318.425	2.328	1	6	5	CO[C@@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)[C@H](C)C1
178301849	ZINC000082796497	ref	5.77	-49.45	1	253.305	1.907	2	2	2	O=C(Nc1ccccn1)[C@H]1C[NH2+]Cc2ccccc21
187169720	ZINC000125092712	ref	3.33	-47.87	1	281.249	1.943	2	2	7	OCCOCC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
168364810	ZINC000368500014	ref	8.24	-52.14	1	330.472	3.429	2	2	7	CC(C)COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC2)cc1
343993923	ZINC000599269490	ref	2.49	-12.17	0	290.367	1.96	1	6	5	Cc1nc([C@H]2CCCCN2C[C@H](O)CC2(C#N)CC2)no1
365634532	ZINC000625070784	ref	6.57	-10.56	0	316.409	2.107	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC1=CCCOC1
168364813	ZINC000368495283	ref	10.74	-52.37	1	344.455	3.208	1	3	5	O=C1OCCN1c1cccc2c1CC[N@H+](CCCC1CCOCC1)C2
168364815	ZINC000368495283	mid	10.73	-51.21	1	344.455	3.208	1	3	5	O=C1OCCN1c1cccc2c1CC[N@@H+](CCCC1CCOCC1)C2
168364817	ZINC000368495283	high	8.46	-14.01	0	344.455	3.208	0	4	5	O=C1OCCN1c1cccc2c1CCN(CCCC1CCOCC1)C2
168364820	ZINC000368495221	ref	9.99	-47.73	1	342.487	3.104	1	4	5	CC(C)O[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(C)C
192339703	ZINC000081926295	mid	3.0	-13.42	0	315.435	2.179	1	5	9	CCCN[C@H](CS(=O)(=O)CC)c1cc(OC)ccc1OC
192339706	ZINC000081924815	ref	6.98	-8.98	0	320.389	2.635	1	3	1	CC1(C)CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc23)CCS1
187169721	ZINC000125092712	high	1.98	-5.63	0	281.249	1.943	2	3	7	OCCOCCNCc1cc(F)cc(C(F)(F)F)c1
168364811	ZINC000000404451	ref	4.07	-38.41	1	174.247	2.058	2	0	2	C[C@@H]([NH3+])Cc1c[nH]c2ccccc12
398249047	ZINC000286149315	low	0.41	-35.71	1	214.29	0.335	2	4	3	C[N@H+](Cc1cscn1)[C@@H]1COC[C@H]1O
343993926	ZINC000599269490	low	4.35	-36.67	1	290.367	1.96	2	5	5	Cc1nc([C@H]2CCCC[N@@H+]2C[C@H](O)CC2(C#N)CC2)no1
343993928	ZINC000599269490	low	4.74	-37.86	1	290.367	1.96	2	5	5	Cc1nc([C@H]2CCCC[N@H+]2C[C@H](O)CC2(C#N)CC2)no1
349534762	ZINC000093281069	ref	3.93	-39.13	1	285.384	0.906	2	4	5	COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC2(CO)COC2)C1
192339711	ZINC000081923120	ref	3.44	-58.05	1	303.383	2.094	1	3	3	COc1ccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1
192339712	ZINC000081923120	mid	3.14	-12.03	0	303.383	2.094	1	4	3	COc1ccc(S(=O)(=O)[C@H]2Cc3ccccc3[C@@H]2N)cc1
342078947	ZINC000625299638	ref	2.75	-10.55	0	270.764	1.288	2	3	3	CC[N@@H+]1CCC[C@H](NC(=O)c2nn(C)cc2Cl)C1
342078948	ZINC000625299638	mid	5.64	-42.08	1	270.764	1.288	2	3	3	CC[N@H+]1CCC[C@H](NC(=O)c2nn(C)cc2Cl)C1
398249053	ZINC000286149315	low	0.08	-35.59	1	214.29	0.335	2	4	3	C[N@@H+](Cc1cscn1)[C@@H]1COC[C@H]1O
349534769	ZINC000093281069	mid	3.36	-38.47	1	285.384	0.906	2	4	5	COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC2(CO)COC2)C1
398249057	ZINC000417664871	ref	6.81	-36.35	0	243.347	1.892	1	3	7	CCOC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1C)C(=O)[O-]
192339716	ZINC000081926536	ref	3.27	-10.2	0	309.412	2.244	1	5	3	CN[C@H]1c2ccccc2OC[C@H]1S(=O)(=O)c1cccs1
192339718	ZINC000081926536	mid	4.1	-40.19	1	309.412	2.244	1	4	3	C[NH2+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)c1cccs1
192339721	ZINC000081928236	ref	1.91	-55.79	1	313.485	1.004	1	4	11	CCC[NH2+][C@@H](C)CCCCS(=O)(=O)CCS(C)(=O)=O
192339724	ZINC000081924520	ref	2.68	-11.5	0	315.435	2.178	1	5	6	CN[C@@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)cc1OC
178301851	ZINC000082796497	high	4.67	-13.42	0	253.305	1.907	2	3	2	O=C(Nc1ccccn1)[C@H]1CNCc2ccccc21
192339727	ZINC000081924520	mid	3.43	-42.09	1	315.435	2.178	1	4	6	C[NH2+][C@@H](CS(=O)(=O)C(C)(C)C)c1ccc(OC)cc1OC
342078949	ZINC000625299638	mid	2.75	-10.55	0	270.764	1.288	1	4	3	CCN1CCC[C@H](NC(=O)c2nn(C)cc2Cl)C1
342078950	ZINC000625300578	ref	2.66	-17.19	0	255.343	1.018	2	3	4	O=S(=O)(NCc1c[nH]cn1)[C@@H]1C[C@@H]2CC[C@H]1C2
365634507	ZINC000336551710	ref	6.51	-12.88	0	286.375	2.361	1	2	3	CC(=O)NCc1ccc(C(=O)N2CC(C)=C[C@H](C)C2)cc1
365634511	ZINC000336551052	ref	4.18	-18.42	0	291.376	2.153	2	2	1	C[C@@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)CC[S@@]1=O
365634518	ZINC000336551189	ref	3.46	-10.78	0	272.348	2.335	3	2	3	O=C(NCc1cc2ccccc2[nH]1)[C@H]1CCC[C@@H](O)C1
178301854	ZINC000082796500	ref	4.77	-52.19	1	253.305	1.907	2	2	2	O=C(Nc1cccnc1)[C@@H]1C[NH2+]Cc2ccccc21
365634523	ZINC000336551533	ref	6.05	-51.34	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)CC1
178301856	ZINC000082796500	high	3.26	-9.87	0	253.305	1.907	2	3	2	O=C(Nc1cccnc1)[C@@H]1CNCc2ccccc21
342078951	ZINC000625300578	mid	2.63	-15.19	0	255.343	1.018	2	3	4	O=S(=O)(NCc1cnc[nH]1)[C@@H]1C[C@@H]2CC[C@H]1C2
365634528	ZINC000336551533	mid	6.39	-49.9	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@H+]2CCC[C@@H]3CCC[C@@H]32)CC1
342078952	ZINC000625300578	low	3.14	-45.21	1	255.343	1.018	2	2	4	O=S(=O)(NCc1c[nH+]c[nH]1)[C@@H]1C[C@@H]2CC[C@H]1C2
365634530	ZINC000336551533	high	4.3	-10.07	0	271.426	2.076	0	3	2	O=S1(=O)CCC(CN2CCC[C@@H]3CCC[C@@H]32)CC1
343993927	ZINC000079916386	ref	7.7	-14.6	0	292.427	2.251	0	5	6	C[C@H]1CCCC[C@@H]1OCCN(C)Cc1nnc2n1CCC2
343993930	ZINC000079916386	low	9.98	-41.28	1	292.427	2.251	1	4	6	C[C@H]1CCCC[C@@H]1OCC[N@H+](C)Cc1nnc2n1CCC2
365634535	ZINC000336551229	ref	8.73	-16.92	0	298.386	2.088	0	2	2	O=C(CN1CCc2ccccc2C1=O)N1CC2(CCCC2)C1
365634541	ZINC000336551117	ref	4.32	-10.09	0	269.366	2.396	0	4	3	COc1csc(C(=O)N2CC[C@H](OC)C[C@H]2C)c1
365634548	ZINC000336550946	ref	5.1	-10.02	0	282.343	2.14	1	3	2	Cc1cc(C(=O)N2CC(O)(C3CC3)C2)nc2ccccc12
365634554	ZINC000336551355	ref	5.51	-11.14	0	291.354	2.497	1	3	3	Cc1cc([C@H]2NC(=O)CN2Cc2ccccc2)ccc1C#N
343993932	ZINC000079916386	low	10.08	-44.99	1	292.427	2.251	1	4	6	C[C@H]1CCCC[C@@H]1OCC[N@@H+](C)Cc1nnc2n1CCC2
365634559	ZINC000336551053	ref	4.17	-18.7	0	291.376	2.153	2	2	1	C[C@H]1CN(C(=O)Nc2ccc3cc[nH]c3c2)CC[S@]1=O
365634563	ZINC000336551455	ref	4.84	-12.4	0	283.393	2.113	0	3	4	COc1cccc(CS(=O)(=O)N2C[C@@H](C)[C@H](C)C2)c1
343993934	ZINC000079910670	ref	7.22	-11.09	0	278.396	2.107	1	2	6	CCCC(=O)NC[C@H]1CCCN(C(=O)/C=C/C2CC2)C1
178305868	ZINC000049579825	low	7.67	-83.4	2	244.342	2.759	2	1	5	Cc1cc2[nH+]cn(CCCCC(N)=[NH2+])c2cc1C
365634568	ZINC000336551368	ref	5.85	-9.37	0	293.392	2.099	1	4	1	Cc1nc(NC(=O)C(=O)N2CC[C@H]3CCC[C@@H]32)sc1C
178301859	ZINC000237180093	ref	4.19	-14.41	0	365.455	1.902	2	4	7	COC(=O)c1cc(C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1
192339717	ZINC000421441201	ref	8.64	-7.32	0	221.344	2.824	0	1	2	C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)C1
192339720	ZINC000421440329	ref	5.94	-9.97	0	249.285	2.251	1	2	4	COc1ccc(CNC(=O)[C@H]2CC23CC3)cc1F
192339723	ZINC000421441154	ref	8.68	-8.02	0	235.371	3.214	0	1	2	C[C@@H]1CCC[C@H](N(C)C(=O)[C@@]23CCC[C@@H]2C3)C1
192339726	ZINC000421445001	ref	7.92	-6.92	0	207.317	2.291	0	1	3	CN(CC1CC1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1
178301864	ZINC000237180093	mid	4.19	-14.41	0	365.455	1.902	2	5	7	COC(=O)c1cc(CN[C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)c[nH]1
192339729	ZINC000421444650	ref	7.49	-8.03	0	249.276	2.833	0	1	3	CN(CCC(F)(F)F)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1
178301867	ZINC000237190965	ref	7.51	-46.63	1	363.527	1.996	2	3	8	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](CCSC)NC(=O)c2ccccc2)C1
178301869	ZINC000237184383	ref	4.2	-49.99	1	353.488	1.12	2	3	6	C[NH2+]C[C@@H](C)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
192339731	ZINC000421439644	ref	5.82	-9.71	0	219.275	2.583	1	1	4	CC[C@H](C)[C@H](C)NC(=O)[C@@]1(C)CC1(F)F
178301871	ZINC000237194585	ref	4.27	-47.56	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1
365634516	ZINC000123121080	ref	2.93	-21.07	0	283.278	2.148	1	4	6	CC[C@](C)(C#N)NC(=O)c1ccnc(OCC(F)F)c1
192339735	ZINC000421441200	ref	8.64	-7.4	0	221.344	2.824	0	1	2	C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H]2CC23CC3)C1
192339737	ZINC000421443045	ref	8.5	-7.67	0	247.313	2.673	1	1	4	C[C@H](Cc1ccccc1F)NC(=O)[C@@H]1CC12CC2
185386259	ZINC000096746977	ref	7.35	-11.14	0	315.373	1.634	1	5	2	Cn1cc(C(=O)Nc2ccc(C(C)(C)C)cc2)c(=O)n(C)c1=O
398249052	ZINC000651465466	ref	4.98	-6.58	0	290.794	3.275	2	3	5	OCC1(CCNc2ccnc3ccc(Cl)cc23)CCC1
192339744	ZINC000421440866	ref	8.64	-6.66	0	223.36	3.071	0	1	5	CCCN(CC(C)C)C(=O)[C@]12CCC[C@H]1C2
192339747	ZINC000421442850	ref	5.25	-8.33	0	221.247	1.527	0	2	5	CCN(CCOC)C(=O)[C@@]1(C)CC1(F)F
192339750	ZINC000421442692	ref	7.35	-7.74	0	233.233	2.34	0	1	3	O=C([C@@H]1CC12CC2)N(CC(F)(F)F)C1CC1
192339755	ZINC000421443936	ref	4.62	-6.65	0	249.31	1.751	1	3	7	CCOCCNC(=O)C1(Oc2ccccc2)CC1
192339758	ZINC000421442562	ref	6.17	-8.61	0	249.257	1.443	0	3	5	CCN(CCC(=O)OC)C(=O)[C@@]1(C)CC1(F)F
192339761	ZINC000421445243	ref	7.9	-7.37	0	233.355	3.183	1	1	4	O=C(NCCC1=CCCCC1)[C@@]12CCC[C@@H]1C2
192339764	ZINC000421444997	ref	7.93	-7.12	0	207.317	2.291	0	1	3	CN(CC1CC1)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
365634524	ZINC000123112230	ref	5.55	-11.38	0	286.257	2.117	0	4	4	CCN(C[C@@H](C)C#N)C(=O)c1cnc(C(F)(F)F)nc1
365634533	ZINC000122996911	ref	9.02	-36.1	1	250.386	2.265	1	1	2	O=C(C[N@@H+]1CCC2(CCC2)C1)N1CCCCCC1
365634540	ZINC000122996911	mid	6.39	-6.82	0	250.386	2.265	1	1	2	O=C(C[N@H+]1CCC2(CCC2)C1)N1CCCCCC1
365634545	ZINC000122996911	high	6.39	-6.82	0	250.386	2.265	0	2	2	O=C(CN1CCC2(CCC2)C1)N1CCCCCC1
282122483	ZINC000376775221	ref	5.35	-16.84	0	345.378	1.862	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N[C@H]1c3ccc(F)cc3O[C@@H]1C)CC2
282122486	ZINC000263874441	ref	7.38	-18.6	0	337.387	1.909	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)Nc1ccn(-c3ccccc3)n1)CC2
282122488	ZINC000114261375	ref	6.78	-45.11	1	305.426	1.282	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)CC2
365634549	ZINC000122974679	ref	7.0	-37.86	1	275.396	2.348	2	2	4	CC[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)[NH+](C)C
365634553	ZINC000122974679	mid	4.66	-9.51	0	275.396	2.348	1	3	4	CC[C@@H](C(=O)Nc1ccc2c(c1)CCCN2C)N(C)C
365634557	ZINC000123050164	ref	7.49	-43.55	1	299.422	2.297	1	4	3	CC1CC[NH+](C[C@@H]2CCCN(c3cnc(C#N)cn3)C2)CC1
365634567	ZINC000123129424	ref	6.22	-12.5	0	299.305	2.139	1	3	3	O=C(CN1C(=O)CCc2ccccc21)Nc1ccncc1F
306234657	ZINC000557913673	low	5.63	-66.93	1	327.363	1.684	2	5	7	OC[C@@H]([NH2+]Cc1nnnn1Cc1ccccc1)c1ccc(F)cc1
306234658	ZINC000557909180	ref	3.73	-49.72	1	334.46	1.782	4	3	7	CC[C@](C)(CO)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1
365634575	ZINC000123096938	ref	4.99	-40.88	1	253.367	2.013	1	2	6	C=C[C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1
365634579	ZINC000123096938	mid	3.96	-11.16	0	253.367	2.013	1	3	6	C=C[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1
299072202	ZINC000567661119	ref	7.2	-11.01	0	283.322	2.483	1	2	3	Cn1[nH]c(=NC(=O)C2(C(F)F)CCCC2)cc1C1CC1
365634584	ZINC000123103684	ref	9.09	-18.29	0	298.452	2.131	0	3	4	CC[C@@H](C(=O)N1CCCC[C@@H](SC)C1)N1CCCC1=O
299072206	ZINC000567661530	ref	5.1	-22.3	0	298.205	2.172	2	5	5	O=C(Nc1ccccc1OC(F)F)c1c[nH]nc1[N+](=O)[O-]
343993929	ZINC000139221395	ref	3.71	-6.93	0	184.283	1.056	1	2	3	CC(C)CN1CN[C@@H](C(C)C)C1=O
282122490	ZINC000114261375	high	4.65	-14.99	0	305.426	1.282	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](C)N1CCCCCC1)CC2
259308280	ZINC000356841328	ref	3.32	-12.23	0	235.283	1.037	2	3	6	C=C[C@@H](CO)NC(=O)COc1cccc(C)c1
365634593	ZINC000122962328	ref	4.09	-9.6	0	299.403	2.04	0	6	3	Cc1ncsc1CN1CCN(c2ncccc2C#N)CC1
192339730	ZINC000081927817	ref	10.15	-7.91	0	311.397	3.422	0	2	2	CC1(C)CN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)CCS1
192339733	ZINC000081922987	ref	3.7	-47.13	1	309.362	2.308	1	3	5	COc1cccc([C@@H]([NH3+])CS(=O)(=O)c2ccccc2F)c1
192339736	ZINC000081922987	mid	3.36	-11.72	0	309.362	2.308	1	4	5	COc1cccc([C@@H](N)CS(=O)(=O)c2ccccc2F)c1
192339738	ZINC000081925837	ref	7.35	-12.41	0	300.449	1.962	0	5	3	Cc1csc(=O)n1CCC(=O)N1CCSC(C)(C)C1
192339741	ZINC000081922857	ref	6.3	-42.06	1	305.374	2.485	1	2	3	C[NH2+][C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1F
192339743	ZINC000081922857	mid	4.67	-11.86	0	305.374	2.485	1	3	3	CN[C@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1F
192339746	ZINC000081926530	ref	2.79	-9.8	0	309.412	2.244	1	5	3	CN[C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)c1cccs1
192339749	ZINC000081926530	mid	4.06	-39.25	1	309.412	2.244	1	4	3	C[NH2+][C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)c1cccs1
299072203	ZINC000354603356	high	3.24	-40.01	-1	328.38	0.644	2	7	3	Cc1nc(CN2CCN(c3nc4[nH][n-]cc-4c(=N)n3)CC2)oc1C
192339754	ZINC000081923785	ref	2.54	-47.22	1	311.403	1.224	1	4	3	[NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)Cc1ccccc1)OCCO2
192339757	ZINC000081923785	high	2.22	-13.18	0	311.403	1.224	1	5	3	N[C@@H]1CCC2(C[C@H]1S(=O)(=O)Cc1ccccc1)OCCO2
192339760	ZINC000081927490	ref	9.4	-19.14	0	304.415	2.68	0	4	3	C[C@@H](Oc1ccccc1C#N)C(=O)N1CCSC(C)(C)C1
192339763	ZINC000081926931	ref	0.83	-46.35	1	303.405	1.145	1	5	2	[NH3+][C@@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2
192339766	ZINC000081926931	high	1.14	-11.16	0	303.405	1.145	1	6	2	N[C@@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2
192339768	ZINC000081926945	ref	7.82	-18.31	0	303.387	1.662	0	5	1	CC1(C)CN(C(=O)c2cnc3ccccn3c2=O)CCS1
192339771	ZINC000081927114	ref	3.69	-10.17	0	311.428	2.491	1	5	6	CN[C@@H](CS(=O)(=O)c1cccs1)c1ccccc1OC
192339774	ZINC000081927114	mid	4.33	-40.93	1	311.428	2.491	1	4	6	C[NH2+][C@@H](CS(=O)(=O)c1cccs1)c1ccccc1OC
192339778	ZINC000081923123	ref	4.33	-52.2	1	305.399	2.477	1	3	5	COc1ccc(S(=O)(=O)C[C@@H]([NH3+])c2ccc(C)cc2)cc1
192339779	ZINC000081923123	mid	3.87	-11.81	0	305.399	2.477	1	4	5	COc1ccc(S(=O)(=O)C[C@@H](N)c2ccc(C)cc2)cc1
192339782	ZINC000081923253	ref	3.47	-42.18	1	313.419	1.626	1	4	6	CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(OC)cc1
192339785	ZINC000081923253	high	2.62	-9.01	0	313.419	1.626	1	5	6	CCCN[C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(OC)cc1
365634526	ZINC000576594727	ref	4.3	-8.79	0	242.363	2.145	2	2	9	C=CCCCCCNC(=O)N(C)CC[C@@H](C)O
365634531	ZINC000576595929	ref	6.82	-12.31	0	248.33	1.596	1	3	6	CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH]cn1
187169724	ZINC000125101571	ref	0.27	-13.63	0	298.368	1.196	1	6	6	CCc1nnc(CSCCN2C(=O)NC(C)(C)C2=O)o1
342595697	ZINC000616963500	ref	4.09	-18.78	0	258.321	1.403	2	2	4	Cc1ccc(/C=C/CC(=O)N[C@H]2CCNC2=O)cc1
342595698	ZINC000616963897	ref	3.73	-17.59	0	278.377	1.562	2	3	5	CC[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCNC1=O
214185036	ZINC000293578611	ref	3.28	-21.97	0	355.398	0.45	1	5	1	Cn1[nH]cc2/c(=N\C(=O)C(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)ccnc1-2
342595699	ZINC000616963514	ref	3.81	-21.82	0	282.29	1.292	2	2	5	O=C(CCCc1ccc(F)c(F)c1)N[C@H]1CCNC1=O
365634536	ZINC000576595929	mid	6.96	-12.91	0	248.33	1.596	1	3	6	CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1cnc[nH]1
365634539	ZINC000576595929	low	7.46	-44.96	1	248.33	1.596	1	2	6	CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1
214185040	ZINC000293578611	mid	3.13	-42.65	-1	355.398	0.45	0	5	1	Cn1[n-]cc2/c(=N\C(=O)C(=O)N3C[C@@]4(CCCO4)[C@H]3C3CC3)ccnc1-2
214185045	ZINC000293572876	ref	6.0	-17.91	0	362.407	0.955	0	6	2	COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2cc(C)ccc2n1
365634544	ZINC000576595929	low	7.47	-44.81	1	248.33	1.596	1	2	6	CCN(C[C@@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1
365634550	ZINC000175970875	ref	8.06	-37.4	1	236.359	1.631	2	1	6	C[C@@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)[N@H+](C)C1CC1
365634555	ZINC000175970875	mid	7.55	-36.9	1	236.359	1.631	2	1	6	C[C@@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)[N@@H+](C)C1CC1
365634560	ZINC000175970875	high	5.58	-5.62	0	236.359	1.631	1	2	6	C[C@@H](CNC(=O)[C@H]1C[C@@H]1C1CC1)N(C)C1CC1
342595700	ZINC000616964082	ref	1.43	-19.29	0	256.352	1.088	2	4	3	CSc1ccsc1C(=O)N[C@H]1CCNC1=O
187169725	ZINC000125097518	ref	6.28	-6.02	0	263.41	3.069	1	4	4	Cn1ccc(CNCc2nc(C(C)(C)C)cs2)c1
365634564	ZINC000576595103	ref	3.85	-38.47	1	244.379	1.384	3	2	8	CCCNC(=O)CCC[N@H+](C)[C@@H](C)C(C)(C)O
365634570	ZINC000576595103	mid	3.88	-36.72	1	244.379	1.384	3	2	8	CCCNC(=O)CCC[N@@H+](C)[C@@H](C)C(C)(C)O
306234659	ZINC000557909180	high	0.85	-9.02	0	334.46	1.782	3	4	7	CC[C@](C)(CO)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1
342595701	ZINC000616963395	ref	4.01	-16.4	0	296.367	1.559	2	3	5	C[C@H](CSc1ccc(F)cc1)C(=O)N[C@H]1CCNC1=O
365634574	ZINC000576594994	ref	4.16	-8.55	0	247.338	1.679	2	2	3	CC(C)(CO)C(=O)N[C@H]1CCc2ccccc2C1
365634583	ZINC000576595922	ref	7.39	-13.38	0	248.33	1.596	1	3	6	CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1c[nH]cn1
168364814	ZINC000310030927	ref	3.19	-37.39	1	229.364	1.8	2	2	7	CCC(CC)C[NH2+][C@H](CO)C1CCOCC1
192339756	ZINC000273863155	ref	0.36	-20.4	0	259.306	-0.107	3	4	8	CCCC[C@H](NC(=O)CCNC(N)=O)C(=O)OC
168364818	ZINC000353856827	ref	3.88	-56.24	1	233.377	1.588	1	2	5	CCC(CC)C[NH2+][C@H]1CCS(=O)(=O)[C@H]1C
342078953	ZINC000625300578	low	3.13	-45.39	1	255.343	1.018	2	2	4	O=S(=O)(NCc1c[nH]c[nH+]1)[C@@H]1C[C@@H]2CC[C@H]1C2
342078954	ZINC000625299007	ref	2.14	-18.77	0	287.385	1.036	2	4	7	O=S(=O)(CCCC1CCOCC1)NCc1c[nH]cn1
192339765	ZINC000273861709	ref	4.0	-6.27	0	289.335	2.481	0	6	2	Cc1ccc(-c2noc(C3(C)COC(C)(C)OC3)n2)cn1
192339767	ZINC000273861901	ref	6.23	-8.28	0	288.351	2.482	0	6	5	COC[C@@H](C)c1nc(-c2cccnc2N2CCCC2)no1
342078955	ZINC000625299007	mid	2.1	-17.4	0	287.385	1.036	2	4	7	O=S(=O)(CCCC1CCOCC1)NCc1cnc[nH]1
342078956	ZINC000625299007	low	2.61	-47.38	1	287.385	1.036	2	3	7	O=S(=O)(CCCC1CCOCC1)NCc1c[nH+]c[nH]1
342078957	ZINC000625299007	low	2.6	-47.58	1	287.385	1.036	2	3	7	O=S(=O)(CCCC1CCOCC1)NCc1c[nH]c[nH+]1
342078958	ZINC000625300801	ref	2.4	-41.83	1	268.332	1.178	3	2	6	CNC(=O)[C@H]([NH2+]Cc1cc(CO)ccc1F)C(C)C
192339776	ZINC000273864929	ref	6.97	-9.21	0	297.358	2.832	0	4	3	Cc1ccc(-c2nc([C@@H]3CC(=O)N(C4CC4)C3)no2)c(C)c1
342078959	ZINC000625300801	mid	1.29	-11.33	0	268.332	1.178	3	3	6	CNC(=O)[C@H](NCc1cc(CO)ccc1F)C(C)C
178301872	ZINC000082796493	ref	6.46	-49.22	1	252.317	2.512	2	1	2	O=C(Nc1ccccc1)[C@@H]1C[NH2+]Cc2ccccc21
192339780	ZINC000273863082	ref	1.21	-13.24	0	270.335	1.7	0	6	2	O=S1(=O)CC[C@H](c2noc(-c3cccs3)n2)C1
342078960	ZINC000625299175	ref	2.76	-44.89	1	281.337	1.205	2	4	5	COc1ccc(S(=O)(=O)NCc2c[nH]cn2)c(C)c1
178301874	ZINC000082796493	high	5.0	-9.59	0	252.317	2.512	2	2	2	O=C(Nc1ccccc1)[C@@H]1CNCc2ccccc21
197592944	ZINC000290094321	ref	6.1	-36.46	1	261.369	1.471	1	2	4	C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)CCc1ccncc1
342078961	ZINC000625299175	mid	2.75	-44.88	1	281.337	1.205	2	4	5	COc1ccc(S(=O)(=O)NCc2cnc[nH]2)c(C)c1
178305871	ZINC000128337109	ref	10.28	-8.32	0	214.312	3.453	0	2	3	Cc1cc2ncn(CCC3CC3)c2cc1C
192339787	ZINC000273863034	ref	7.05	-8.01	0	266.341	3.094	0	4	5	CS[C@H](C)Cc1nc(Cc2cccc(F)c2)no1
342078962	ZINC000625299175	low	2.76	-44.89	1	281.337	1.205	2	3	5	COc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c(C)c1
342078963	ZINC000625299175	low	2.75	-44.88	1	281.337	1.205	2	3	5	COc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c(C)c1
192339769	ZINC000421442117	ref	6.92	-7.54	0	237.318	3.299	1	1	4	CC[C@@H](NC(=O)c1cccc(F)c1C)C(C)C
192339772	ZINC000421445290	ref	5.75	-6.96	0	245.191	2.443	0	1	3	CN(CCC(F)(F)F)C(=O)[C@@]1(C)CC1(F)F
192339777	ZINC000421442037	ref	5.3	-6.57	0	225.288	1.244	1	3	3	COC(=O)C(C)(C)NC(=O)[C@@]12CCC[C@@H]1C2
192339781	ZINC000421442691	ref	7.35	-7.9	0	233.233	2.34	0	1	3	O=C([C@H]1CC12CC2)N(CC(F)(F)F)C1CC1
342595702	ZINC000616963344	ref	3.28	-17.19	0	262.284	1.234	2	2	4	O=C(C/C=C\c1ccc(F)cc1)N[C@@H]1CCNC1=O
187169726	ZINC000125097518	mid	7.64	-37.18	1	263.41	3.069	1	3	4	Cn1ccc(C[NH2+]Cc2nc(C(C)(C)C)cs2)c1
192339784	ZINC000421442231	ref	8.2	-11.01	0	237.299	1.341	0	3	5	CCOC(=O)CN(C(=O)[C@@H]1CC12CC2)C1CC1
168364816	ZINC000043388661	ref	4.58	-45.29	1	187.645	2.369	1	0	2	C[C@@H]([NH3+])Cc1ccc(Cl)c(F)c1
342595703	ZINC000616963552	ref	3.48	-18.58	0	262.284	1.234	2	2	4	O=C(C/C=C/c1cccc(F)c1)N[C@H]1CCNC1=O
192339786	ZINC000421440902	ref	6.49	-9.13	0	245.322	2.962	1	2	4	COCc1cccc(NC(=O)[C@@]23CCC[C@@H]2C3)c1
192339789	ZINC000421441179	ref	6.68	-9.4	0	245.322	2.673	1	2	4	COc1cccc([C@H](C)NC(=O)[C@H]2CC23CC3)c1
282122484	ZINC000332368117	ref	5.68	-79.89	2	338.452	-0.672	2	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CCO1
187169727	ZINC000125102023	ref	6.03	-7.81	0	272.414	2.091	1	3	3	CC[C@@H]1CN(C(=O)NC[C@@H]2CCCS2)C[C@@H](C)O1
192339793	ZINC000421444527	ref	7.42	-6.61	0	221.344	2.729	1	1	3	C[C@@H]1CCCC[C@H]1CNC(=O)[C@H]1CC12CC2
192339796	ZINC000421445244	ref	7.89	-7.36	0	233.355	3.183	1	1	4	O=C(NCCC1=CCCCC1)[C@]12CCC[C@H]1C2
192339799	ZINC000421445363	ref	6.86	-6.85	0	249.354	2.203	0	2	1	O=C([C@@H]1CC[C@@H]2C[C@@H]2C1)N1CCO[C@@H]2CCC[C@H]21
187169728	ZINC000125099085	ref	0.64	-48.16	1	283.303	0.628	3	3	7	CCCOc1cc(F)ccc1NC(=O)CNC(=O)C[NH3+]
192339802	ZINC000421442312	ref	7.89	-6.25	0	235.371	3.118	1	1	2	C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@@]12CCC[C@@H]1C2
168364819	ZINC000033506705	ref	-2.36	-101.51	2	131.223	-0.73	3	1	4	C[C@@H]([NH3+])CN[C@H](C)C[NH3+]
192339805	ZINC000421440032	ref	5.85	-10.94	0	239.29	2.243	0	2	5	COCCCN(C)C(=O)c1cccc(F)c1C
192339808	ZINC000421444666	ref	7.32	-10.9	0	225.288	1.198	0	3	5	CCN(CCC(=O)OC)C(=O)[C@@H]1CC12CC2
192339811	ZINC000421444506	ref	7.73	-7.38	0	235.302	3.149	0	1	1	Cc1c(F)cccc1C(=O)N1CCCC[C@H]1C
192339814	ZINC000421441777	ref	6.18	-8.76	0	225.332	1.917	0	2	5	COCCCN(C)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1
192339817	ZINC000421443614	ref	7.34	-9.78	0	233.311	2.674	0	2	3	CN(Cc1ccoc1)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1
178301875	ZINC000237194585	mid	6.62	-92.0	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1
178301877	ZINC000237180622	ref	3.59	-52.04	1	363.487	1.859	1	6	6	C[NH2+]C[C@@H](C)C(=O)N1CCN([C@H](C)c2nc(-c3cccs3)no2)CC1
342595704	ZINC000616967423	ref	4.48	-18.97	0	292.404	1.907	2	3	5	CC(C)c1ccc(SCC(=O)N[C@@H]2CCNC2=O)cc1
365634537	ZINC000617430437	mid	3.23	-23.56	0	283.295	0.985	2	6	2	C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)c2ncnn21
178301879	ZINC000237180603	ref	4.98	-97.64	-2	368.48	1.956	1	6	8	CN(C)[C@@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
178301883	ZINC000237180603	mid	6.87	-70.6	0	368.48	1.956	2	5	8	C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
365634542	ZINC000617430437	high	3.34	-52.22	-1	283.295	0.985	1	6	2	C[C@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ncnn21
178301885	ZINC000237180603	high	4.98	-97.64	-2	368.48	1.956	0	6	8	CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
178301887	ZINC000237179371	ref	9.5	-93.54	2	359.518	1.298	2	3	6	C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1
178301891	ZINC000237179371	high	7.48	-47.07	1	359.518	1.298	1	4	6	C[NH2+]C[C@@H](C)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1
365634546	ZINC000617425404	ref	4.78	-19.53	0	277.328	0.124	1	5	3	C[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)N(C)C)c2ncnn21
365634551	ZINC000617426460	ref	4.82	-16.79	0	287.327	0.715	1	7	4	C[C@@H]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)c2ncnn21
178301893	ZINC000237180767	ref	4.35	-48.88	-1	366.439	1.878	1	6	9	CN(C)[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccco1
365634558	ZINC000617425558	ref	4.56	-18.98	0	299.334	0.83	2	5	4	C[C@@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)c2ncnn21
178301895	ZINC000237180767	low	6.64	-73.25	0	366.439	1.878	2	5	9	C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccco1
178301898	ZINC000237191412	ref	11.02	-64.49	-1	359.426	1.926	0	6	6	CCn1c(=O)n(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c2ccccc21
178301900	ZINC000237184305	ref	3.3	-57.62	1	360.863	1.922	2	4	5	COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1
178305873	ZINC000128337109	low	10.76	-31.77	1	214.312	3.453	0	1	3	Cc1cc2[nH+]cn(CCC3CC3)c2cc1C
365634562	ZINC000617425371	ref	5.07	-20.67	0	250.302	0.968	1	5	2	C[C@@H]1CC[C@H](C(=O)N[C@H]2C[C@@H](C)n3ncnc32)O1
168364821	ZINC000044410296	ref	-0.12	-43.93	1	167.208	0.987	3	2	2	C[C@@H]([NH3+])Cc1cccc(O)c1O
365634538	ZINC000625074184	ref	4.68	-10.62	0	311.447	2.333	1	3	5	Cc1cccc(C)c1CCNS(=O)(=O)[C@@H]1COC(C)(C)C1
342595705	ZINC000616964195	ref	4.17	-15.16	0	292.404	1.955	2	3	3	O=C1NCC[C@H]1NC(=O)C1(c2cccs2)CCCCC1
365634543	ZINC000625074440	ref	2.79	-10.19	0	313.41	2.092	1	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CC[C@@H](CCO)C1
214185037	ZINC000278486415	low	8.35	-89.04	2	305.426	1.598	2	4	4	CC(C)[NH+]1CCC(Nc2cc(N3CCOCC3)nc[nH+]2)CC1
365634547	ZINC000625071580	ref	7.26	-16.54	0	304.39	2.467	1	3	4	C[C@H]1CN(C(=O)N[C@H](C)CC(=O)c2ccccc2)C[C@@H](C)O1
342595706	ZINC000616963544	ref	4.89	-19.48	0	282.343	1.948	2	2	3	C[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccc2ccccc2c1
349534764	ZINC000594968550	high	6.98	-8.62	0	288.42	2.666	1	5	9	C=CCCSCCNCc1cnnn1-c1ccccc1
365634552	ZINC000625072715	ref	5.15	-15.11	0	324.446	2.424	0	4	3	Cc1cccc([C@@H]2CCCN2S(=O)(=O)[C@@H]2COC(C)(C)C2)n1
349534770	ZINC000594969440	ref	8.69	-52.91	1	266.348	2.88	1	3	5	C=Cn1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cn1
342595707	ZINC000616963902	ref	2.71	-17.94	0	276.336	1.193	2	3	5	COc1ccccc1[C@@H](C)CC(=O)N[C@@H]1CCNC1=O
342595708	ZINC000616963977	ref	5.7	-19.86	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1
365634556	ZINC000625074674	ref	5.44	-8.43	0	308.397	2.361	1	3	4	CC(C)(C)CNC(=O)CN1CCO[C@H](c2ccc(F)cc2)C1
365634561	ZINC000625070729	ref	4.1	-13.72	0	301.375	2.209	1	6	5	CCN(Cc1nc2ccccc2c(=O)[nH]1)Cc1cnns1
349534775	ZINC000594969440	mid	7.6	-9.52	0	266.348	2.88	1	4	5	C=Cn1cc(CNC(C)(C)c2cccc(C#N)c2)cn1
349534780	ZINC000594969725	ref	6.0	-5.97	0	273.833	2.781	1	4	8	C=CCCSCCNCc1nn(C)c(C)c1Cl
349534785	ZINC000594969725	mid	7.36	-36.88	1	273.833	2.781	1	3	8	C=CCCSCC[NH2+]Cc1nn(C)c(C)c1Cl
168364822	ZINC000336750555	ref	6.55	-42.39	1	210.325	1.902	1	3	6	CCC(CC)C[NH2+][C@H](C)c1ncnn1C
168364825	ZINC000336750555	high	5.28	-6.49	0	210.325	1.902	1	4	6	CCC(CC)CN[C@H](C)c1ncnn1C
342595709	ZINC000616963913	ref	5.28	-15.87	0	286.375	1.812	2	2	3	Cc1cccc(C2(C(=O)N[C@H]3CCNC3=O)CCCC2)c1
259308282	ZINC000180695768	ref	8.87	-8.96	0	225.313	3.717	0	3	4	CCS[C@@H](C)c1cc([N+](=O)[O-])ccc1C
342595710	ZINC000616964021	ref	2.37	-19.23	0	262.309	1.012	2	3	4	CCOc1cc(C(=O)N[C@@H]2CCNC2=O)ccc1C
214190630	ZINC000337636610	ref	0.02	-14.67	0	260.334	0.063	2	4	7	COCCOCCNC(=O)N1CCC[C@H](CO)C1
168364823	ZINC000368498660	ref	7.58	-17.81	0	349.496	3.375	0	3	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H]1CCS(=O)(=O)c2ccccc21
192339788	ZINC000081926532	ref	2.57	-8.51	0	309.412	2.244	1	5	3	CN[C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)c1cccs1
168364826	ZINC000368495220	ref	10.03	-46.16	1	342.487	3.104	1	4	5	CC(C)O[C@H]1C[C@H]([NH2+]C2CCN(c3ccc(C#N)cn3)CC2)C1(C)C
192339790	ZINC000081926532	mid	3.77	-43.17	1	309.412	2.244	1	4	3	C[NH2+][C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)c1cccs1
398249055	ZINC000651465466	mid	5.41	-32.79	1	290.794	3.275	2	2	5	OCC1(CCNc2cc[nH+]c3ccc(Cl)cc23)CCC1
192339792	ZINC000081922979	ref	4.3	-40.0	1	301.383	1.756	1	3	5	CCC[NH2+][C@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1F
192339795	ZINC000081922979	high	3.41	-10.98	0	301.383	1.756	1	4	5	CCCN[C@H]1CCOC[C@H]1S(=O)(=O)c1ccccc1F
168364827	ZINC000368497905	ref	6.44	-53.83	1	333.482	3.018	2	4	5	O=C1CC[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)[C@@H](C2CC2)N1
192339798	ZINC000081922748	ref	3.23	-40.43	1	324.229	2.144	1	3	3	C[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(Cl)ccc1Cl
192339800	ZINC000081922748	high	2.1	-8.88	0	324.229	2.144	1	4	3	CN[C@H]1CCOC[C@@H]1S(=O)(=O)c1cc(Cl)ccc1Cl
168364830	ZINC000368497905	mid	5.35	-8.11	0	333.482	3.018	2	5	5	O=C1CC[C@@H](NCc2csc(-c3ccsc3)n2)[C@@H](C2CC2)N1
168364832	ZINC000368496982	ref	6.93	-8.23	0	338.492	3.186	1	3	6	CCOCCC1(CNC(=O)N2CC[C@@]3(CCCOC3)C2)CCCC1
282122485	ZINC000332368117	mid	6.08	-79.37	2	338.452	-0.672	2	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[N@@H+](C)C[C@H]32)CCO1
282122487	ZINC000332368117	mid	3.9	-37.23	1	338.452	-0.672	1	4	2	CN1CC[C@H]2CCN(C(=O)C(=O)N3CCO[C@H](C[NH+](C)C)C3)[C@@H]2C1
192339803	ZINC000081926570	ref	9.38	-7.87	0	307.459	3.543	0	3	4	COc1ccc([C@@H](C)CC(=O)N2CCSC(C)(C)C2)cc1
192339806	ZINC000081925888	ref	6.68	-7.26	0	313.354	2.284	1	5	2	CC1(C)CN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CCS1
342078964	ZINC000625299904	ref	3.28	-50.76	1	298.368	1.315	2	5	5	CC(C)(C)c1cc(CS(=O)(=O)NCc2c[nH]cn2)no1
192339810	ZINC000081922946	ref	2.73	-12.07	0	307.346	2.06	1	4	2	N[C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)c1ccccc1F
342078965	ZINC000625299904	mid	3.27	-50.85	1	298.368	1.315	2	5	5	CC(C)(C)c1cc(CS(=O)(=O)NCc2cnc[nH]2)no1
342078966	ZINC000625299904	low	3.28	-50.76	1	298.368	1.315	2	4	5	CC(C)(C)c1cc(CS(=O)(=O)NCc2c[nH+]c[nH]2)no1
342078967	ZINC000625299904	low	3.27	-50.85	1	298.368	1.315	2	4	5	CC(C)(C)c1cc(CS(=O)(=O)NCc2c[nH]c[nH+]2)no1
342078968	ZINC000625300528	ref	3.59	-16.46	0	271.386	1.799	2	3	5	CC1(CS(=O)(=O)NCc2c[nH]cn2)CCCCC1
192339794	ZINC000273862249	ref	5.66	-4.95	0	262.284	3.078	0	4	2	Cc1cc(F)ccc1-c1noc([C@H]2CCCOC2)n1
343993931	ZINC000599283966	ref	5.82	-39.6	1	299.418	1.898	2	3	3	Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1C#N
187169729	ZINC000125099085	mid	0.23	-9.06	0	283.303	0.628	3	4	7	CCCOc1cc(F)ccc1NC(=O)CNC(=O)CN
192339797	ZINC000273864517	ref	5.82	-11.25	0	291.391	2.358	2	3	5	CC[C@H](OC)C(=O)NC1CCC(O)(c2ccccc2)CC1
187169730	ZINC000125098641	ref	5.96	-48.58	1	278.293	2.886	1	1	6	CCN(C)CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
343993933	ZINC000599283966	high	3.62	-7.54	0	299.418	1.898	1	4	3	Cc1ccc(CN2CCN([C@H]3CCC[C@@H]3O)CC2)cc1C#N
192339801	ZINC000273862438	ref	6.19	-9.56	0	273.34	1.261	1	6	3	CC1(CO)CCN(c2nnnn2-c2ccccc2)CC1
282122489	ZINC000332368117	high	1.21	-6.05	0	338.452	-0.672	0	5	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CCN(C)C[C@H]32)CCO1
192339804	ZINC000273865132	ref	5.28	-12.27	0	296.33	2.113	0	5	4	O=C1C[C@H](c2noc(/C=C/c3cccnc3)n2)CN1C1CC1
342078969	ZINC000625300528	mid	3.55	-14.88	0	271.386	1.799	2	3	5	CC1(CS(=O)(=O)NCc2cnc[nH]2)CCCCC1
342078970	ZINC000625300528	low	4.07	-44.64	1	271.386	1.799	2	2	5	CC1(CS(=O)(=O)NCc2c[nH+]c[nH]2)CCCCC1
342078971	ZINC000625300528	low	4.05	-44.82	1	271.386	1.799	2	2	5	CC1(CS(=O)(=O)NCc2c[nH]c[nH+]2)CCCCC1
342078972	ZINC000625298509	ref	0.76	-40.58	1	257.374	1.057	3	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCOCC1
342078973	ZINC000625300312	ref	6.01	-49.91	1	286.379	1.725	1	4	6	Cn1cc(CC[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)nn1
342078974	ZINC000077837788	ref	2.86	-38.21	1	285.432	1.711	4	2	8	CC[C@@H](CCO)NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC
342078975	ZINC000077837788	mid	3.06	-39.44	1	285.432	1.711	4	2	8	CC[C@@H](CCO)NC(=O)NCC[N@H+]1CCCC[C@@H]1CC
342078976	ZINC000077837788	high	0.92	-8.13	0	285.432	1.711	3	3	8	CC[C@@H](CCO)NC(=O)NCCN1CCCC[C@@H]1CC
342078977	ZINC000625300532	ref	1.14	-14.24	0	296.352	1.07	2	5	6	CC(C)Oc1cncc(S(=O)(=O)NCc2c[nH]cn2)c1
342078978	ZINC000625300532	mid	1.11	-13.59	0	296.352	1.07	2	5	6	CC(C)Oc1cncc(S(=O)(=O)NCc2cnc[nH]2)c1
342078979	ZINC000625300532	low	1.62	-46.17	1	296.352	1.07	2	4	6	CC(C)Oc1cncc(S(=O)(=O)NCc2c[nH+]c[nH]2)c1
342078980	ZINC000625300532	low	1.6	-46.16	1	296.352	1.07	2	4	6	CC(C)Oc1cncc(S(=O)(=O)NCc2c[nH]c[nH+]2)c1
365634565	ZINC000625071639	ref	7.13	-10.77	0	318.425	2.328	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)OC(C)(C)C1
214185038	ZINC000337623518	ref	1.24	-12.31	0	274.361	0.006	2	4	8	CN(CCOCCO)C(=O)CNC(=O)CC(C)(C)C
365634569	ZINC000625070654	ref	8.27	-10.06	0	300.41	2.416	1	5	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@H]2[C@@H](C1)C2(C)C
365634573	ZINC000625073596	ref	6.75	-10.58	0	318.425	2.326	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)O[C@@H](C)[C@H]1C
432002733	ZINC000062146987	ref	7.74	-13.22	0	315.369	3.136	0	4	7	COc1ccc(N(C)C(=O)CCOc2ccccc2)cc1OC
365634578	ZINC000625072375	ref	7.7	-43.34	1	320.433	2.315	1	4	8	CCc1ccccc1NC(=O)CN(C)CCOC1CCOCC1
432002734	ZINC000061888385	ref	6.67	-12.4	0	311.154	3.01	1	2	2	N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(F)cc(Br)c1
342078981	ZINC000625299047	ref	2.05	-40.59	1	257.374	1.057	3	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCOCC1
432002737	ZINC000061888669	ref	6.69	-14.8	0	311.154	3.01	1	2	2	N#C[C@@H]1CCC[C@H]1NC(=O)c1cc(Br)ccc1F
432002739	ZINC000062254702	ref	10.13	-52.93	1	312.461	3.299	1	3	7	C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cn1ccnc1
214185052	ZINC000337623633	ref	-0.89	-11.19	0	283.328	0.24	2	5	8	COc1ccc(CNC(=O)N(C)CCOCCO)cn1
214185056	ZINC000337622896	ref	5.01	-7.82	0	254.374	2.435	2	2	7	O=C(NCCCOC1CCCCC1)NCC1CC1
214185061	ZINC000337620895	ref	0.74	-10.77	0	259.327	0.64	2	5	8	COCC[C@H](CO)NC(=O)COc1ccsc1
214185064	ZINC000337624156	ref	5.11	-14.45	0	274.368	2.449	3	2	5	CC(C)[C@@H](C)NC(=O)NCCc1c[nH]c2ncccc12
214185069	ZINC000337620521	ref	6.3	-10.25	0	285.372	3.442	2	5	5	Oc1ccc(CCCNc2ncnc3sccc23)cc1
178301889	ZINC000082798508	ref	2.5	-44.6	1	251.392	1.214	1	3	9	CCC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)CCOC
214185072	ZINC000337621747	ref	5.32	-15.48	0	292.354	2.308	2	2	4	CC(C)[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)c1ccc(F)cc1
214185074	ZINC000337620557	ref	7.11	-14.34	0	299.374	2.394	1	4	4	CCc1cccc2c1OCC[C@H]2NC(=O)Cn1cc(C)cn1
282122491	ZINC000410532985	ref	6.82	-36.75	1	347.459	0.446	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CCO1
214185080	ZINC000337623744	ref	4.33	-59.25	1	287.314	0.786	3	2	5	C[NH+](C)CCn1ccc(=NC(=O)NC2(C(F)F)CC2)[nH]1
259308286	ZINC000356840039	ref	1.74	-6.97	0	248.326	1.54	3	3	7	C=C[C@H](CO)NC(=O)[C@H](CC)Nc1ccccc1
178301892	ZINC000082796521	ref	3.93	-47.25	1	260.337	1.169	2	2	3	O=C(NC[C@@H]1CCCO1)[C@H]1C[NH2+]Cc2ccccc21
365634566	ZINC000617430425	ref	3.29	-22.6	0	259.269	0.814	2	5	2	C[C@@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)c2ncnn21
365634571	ZINC000617426782	ref	5.77	-25.19	0	291.355	0.803	1	5	3	C[C@@H]1C[C@H](NC(=O)CN2CCCCCC2=O)c2ncnn21
365634576	ZINC000617424829	ref	3.8	-16.86	0	258.285	0.812	1	6	2	Cc1ccc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)nn1
365634580	ZINC000617425695	ref	3.08	-16.97	0	258.285	0.812	1	6	2	Cc1cnc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)cn1
365634585	ZINC000617425403	ref	4.69	-23.8	0	277.328	0.124	1	5	3	C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)N(C)C)c2ncnn21
178301896	ZINC000082796521	high	2.4	-8.56	0	260.337	1.169	2	3	3	O=C(NC[C@@H]1CCCO1)[C@H]1CNCc2ccccc21
365634590	ZINC000617426024	ref	5.37	-20.53	0	291.355	0.659	1	5	4	CCCN1C[C@H](C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)CC1=O
365634597	ZINC000617425917	ref	4.18	-26.34	0	284.283	0.152	1	8	2	C[C@H]1C[C@@H](NC(=O)c2ccn3nnnc3c2)c2ncnn21
343993935	ZINC000599270987	ref	4.65	-41.35	1	293.367	1.654	1	5	7	COCC[N@H+](Cc1cnc(C(=O)OC)cn1)C1CCCC1
295666311	ZINC000351889057	ref	7.02	-11.23	0	344.455	3.119	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCC[C@@]12CCOC2
365634603	ZINC000617429307	ref	8.04	-13.07	0	299.294	0.911	2	6	2	O=[N+]([O-])c1ccc2[nH]c(=N[C@@H]3CCc4ncnn4C3)[nH]c2c1
178301899	ZINC000082796557	ref	4.54	-47.06	1	262.309	0.551	2	3	3	COC(=O)[C@H](C)NC(=O)[C@@H]1C[NH2+]Cc2ccccc21
178301901	ZINC000082796557	high	3.08	-7.97	0	262.309	0.551	2	4	3	COC(=O)[C@H](C)NC(=O)[C@@H]1CNCc2ccccc21
342078982	ZINC000625299060	ref	4.17	-14.36	0	277.349	1.766	2	3	5	O=S(=O)(NCc1c[nH]cn1)c1ccc(C2CC2)cc1
365634608	ZINC000617425698	ref	3.1	-17.09	0	258.285	0.812	1	6	2	Cc1cnc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cn1
365634613	ZINC000617425409	ref	2.22	-18.77	0	250.302	0.561	2	5	2	C[C@H]1C[C@H](NC(=O)C2CC(C)(O)C2)c2ncnn21
365634619	ZINC000617429903	ref	6.77	-26.18	0	298.31	0.46	1	8	2	Cc1ccnc2nc(C(=O)N[C@@H]3C[C@H](C)n4ncnc43)nn12
343993937	ZINC000599270987	mid	6.33	-45.21	1	293.367	1.654	1	5	7	COCC[N@@H+](Cc1cnc(C(=O)OC)cn1)C1CCCC1
365634624	ZINC000617425576	ref	3.76	-16.01	0	250.302	0.561	2	5	3	C[C@@H]1C[C@H](NC(=O)[C@@H](O)C2CCC2)c2ncnn21
365634630	ZINC000617426023	ref	5.38	-21.96	0	291.355	0.659	1	5	4	CCCN1C[C@H](C(=O)N[C@H]2C[C@H](C)n3ncnc32)CC1=O
168364824	ZINC000002008775	ref	2.87	-39.93	1	151.209	1.413	1	1	3	C[C@@H]([NH3+])COc1ccccc1
365634634	ZINC000617424742	ref	2.28	-15.81	0	252.318	0.809	2	5	4	CC[C@](C)(CO)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
192339813	ZINC000081922946	mid	3.28	-46.25	1	307.346	2.06	1	3	2	[NH3+][C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)c1ccccc1F
192339816	ZINC000081923490	ref	3.24	-42.41	1	313.419	1.626	1	4	6	CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(OC)c1
192339819	ZINC000081923490	high	2.1	-11.47	0	313.419	1.626	1	5	6	CCCN[C@H]1CCOC[C@@H]1S(=O)(=O)c1cccc(OC)c1
192339821	ZINC000081923357	ref	4.33	-52.11	1	305.399	2.477	1	3	5	COc1cccc(S(=O)(=O)C[C@@H]([NH3+])c2ccc(C)cc2)c1
192339823	ZINC000081923357	mid	3.99	-11.81	0	305.399	2.477	1	4	5	COc1cccc(S(=O)(=O)C[C@@H](N)c2ccc(C)cc2)c1
192339826	ZINC000081927209	ref	6.65	-8.18	0	310.394	1.909	1	3	3	CC1(C)CN(C(=O)CNC(=O)c2ccc(F)cc2)CCS1
192339829	ZINC000081927720	ref	2.01	-47.98	1	313.485	1.003	1	4	10	CCC[C@@H]([NH2+]CC)[C@@H](CC)S(=O)(=O)CCS(C)(=O)=O
192339831	ZINC000081923353	ref	4.17	-45.22	1	303.383	2.094	1	3	3	COc1cccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2[NH3+])c1
192339834	ZINC000081923353	mid	3.84	-11.72	0	303.383	2.094	1	4	3	COc1cccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2N)c1
192339837	ZINC000081923464	ref	4.17	-49.56	1	305.399	2.477	1	3	5	COc1cccc(S(=O)(=O)C[C@H]([NH3+])c2ccccc2C)c1
192339840	ZINC000081923464	mid	3.84	-11.21	0	305.399	2.477	1	4	5	COc1cccc(S(=O)(=O)C[C@H](N)c2ccccc2C)c1
192339843	ZINC000081928338	ref	9.96	-14.81	0	305.407	1.709	0	6	1	Cc1cc(C)n2nc(C(=O)N3CCSC(C)(C)C3)nc2n1
192339847	ZINC000081925598	ref	5.95	-6.36	0	302.44	2.111	1	4	4	CCOC(=O)N[C@@H](C(=O)N1CCSC(C)(C)C1)C(C)C
192339850	ZINC000081922976	ref	4.23	-39.79	1	301.383	1.756	1	3	5	CCC[NH2+][C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1F
192339853	ZINC000081922976	high	3.4	-9.67	0	301.383	1.756	1	4	5	CCCN[C@@H]1CCOC[C@@H]1S(=O)(=O)c1ccccc1F
398249058	ZINC000650874484	ref	6.46	-18.45	0	270.348	1.594	0	2	1	CC(C)(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[C@H](F)C1
398249063	ZINC000650875324	ref	4.81	-13.37	0	298.427	1.994	2	3	5	COC[C@@H]1C[C@@H](O)CN1C(=O)NCC[C@@H]1CCCC[C@H]1C
342595711	ZINC000616963352	ref	2.62	-17.46	0	276.336	1.193	2	3	5	COc1ccc([C@@H](C)CC(=O)N[C@H]2CCNC2=O)cc1
192339861	ZINC000081923649	ref	6.48	-53.66	1	301.411	2.487	1	2	4	C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)Cc1ccccc1
192339864	ZINC000081923649	mid	5.26	-15.76	0	301.411	2.487	1	3	4	CN[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)Cc1ccccc1
192339867	ZINC000081922858	ref	5.91	-47.14	1	305.374	2.485	1	2	3	C[NH2+][C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccccc1F
187169731	ZINC000125098641	mid	6.93	-37.23	1	278.293	2.886	2	1	6	CC[N@H+](C)CCNCc1cc(F)cc(C(F)(F)F)c1
214185039	ZINC000053478250	ref	3.99	-24.87	0	330.388	0.923	3	3	3	Cc1cc(C(=O)N[C@@H]2CCCCNC2=O)ccc1N1CCNC1=O
214185046	ZINC000053483867	ref	8.03	-15.68	0	342.414	3.954	2	2	6	CC(=O)Nc1cc(C(=O)NC[C@H](c2ccccc2)C(C)C)ccc1F
214185051	ZINC000053474880	ref	8.36	-11.17	0	345.374	2.442	0	4	4	Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O
187169732	ZINC000125098641	mid	6.92	-37.21	1	278.293	2.886	2	1	6	CC[N@@H+](C)CCNCc1cc(F)cc(C(F)(F)F)c1
214185054	ZINC000053468346	ref	2.95	-10.35	0	337.42	2.398	2	5	6	CC(C)Oc1ncccc1CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C
398249060	ZINC000425542153	ref	5.3	-11.67	0	246.301	2.52	2	1	5	CC(F)(F)CCNC(=O)N[C@@H]1C[C@H]1C1CCC1
398249071	ZINC000639101961	ref	4.92	-36.29	1	239.388	1.915	1	3	3	CC(C)[C@@H]1CN(Cc2ccns2)CC[N@@H+]1C
342595712	ZINC000364818015	ref	4.18	-9.17	0	293.392	1.414	1	5	4	C=CCNc1ncc(C(=O)N2CC[C@H]3OCC[C@H]3C2)s1
214185060	ZINC000053483861	ref	8.02	-16.44	0	342.414	3.954	2	2	6	CC(=O)Nc1ccc(F)c(C(=O)NC[C@@H](c2ccccc2)C(C)C)c1
214185065	ZINC000053485079	ref	6.47	-12.76	0	337.379	2.892	2	4	5	CCNC(=O)c1ccccc1NC(=O)C1=NO[C@@H](c2ccccc2)C1
214185068	ZINC000053465559	ref	7.2	-13.2	0	328.412	3.305	2	3	5	CC(=O)N[C@H](C(=O)N[C@H](C)c1cc2ccccc2o1)C1CCCC1
214185073	ZINC000053491605	ref	5.06	-18.57	0	327.384	2.276	2	3	4	NC(=O)C1CCN(C(=O)N[C@H](c2ccccc2)c2ccco2)CC1
214185076	ZINC000053492522	ref	8.25	-17.83	0	339.439	3.213	2	2	6	C[C@H](NC(=O)NCCCN1CCCC1=O)c1cccc2ccccc12
214185079	ZINC000053492712	ref	4.48	-14.36	0	325.434	1.285	1	3	4	CCCc1ccc(S(=O)(=O)N2CCN(C(=O)NC)CC2)cc1
214185083	ZINC000053469164	ref	6.12	-20.87	0	344.39	1.484	2	4	7	N#Cc1c(F)cccc1NCCNC(=O)[C@H]1CC(=O)N(CC2CC2)C1
342595713	ZINC000616963708	ref	3.54	-20.11	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F
214185089	ZINC000053481083	ref	2.76	-29.92	0	325.308	2.001	1	4	6	CCS(=O)(=O)CC(=O)Nc1cccc(OCC(F)(F)F)c1
214185091	ZINC000053476630	ref	4.85	-21.47	0	325.455	1.71	1	4	4	O=C(CS[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCc2ccccc21
398249076	ZINC000639101961	mid	5.19	-35.81	1	239.388	1.915	1	3	3	CC(C)[C@@H]1CN(Cc2ccns2)CC[N@H+]1C
398249079	ZINC000639101961	mid	3.27	-3.76	0	239.388	1.915	0	4	3	CC(C)[C@@H]1CN(Cc2ccns2)CCN1C
178301903	ZINC000237188749	ref	6.34	-50.13	1	361.486	1.672	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)cc1
282122494	ZINC000410532985	high	4.32	-5.6	0	347.459	0.446	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CCO1
192339820	ZINC000273865036	ref	5.55	-8.12	0	260.341	3.169	0	5	3	C[C@@H](c1nc([C@@H]2CCC[C@@H](C)C2)no1)n1cccn1
342078983	ZINC000625299060	mid	4.14	-13.05	0	277.349	1.766	2	3	5	O=S(=O)(NCc1cnc[nH]1)c1ccc(C2CC2)cc1
178301906	ZINC000237188749	high	6.03	-10.88	0	361.486	1.672	1	4	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)cc1
192339828	ZINC000273863079	ref	1.17	-14.07	0	270.335	1.7	0	6	2	O=S1(=O)CC[C@@H](c2noc(-c3cccs3)n2)C1
343993936	ZINC000079911422	ref	3.97	-11.0	0	294.395	2.396	2	4	7	CC[C@H](C)[C@](C)(O)CNC(=O)c1ncccc1OC(C)C
343993939	ZINC000079911527	ref	4.58	-17.45	0	290.388	2.193	2	4	5	N#CCSc1cccc(C(=O)NC[C@H]2CCC[C@@H]2O)c1
192339838	ZINC000273865119	ref	2.71	-10.69	0	297.318	2.138	0	7	4	COc1ccc(-c2nc(Cc3cc(C)nc(C)n3)no2)cn1
192339841	ZINC000273864587	ref	4.31	-7.71	0	263.293	1.171	1	4	4	COc1ccccc1C(=O)C(=O)N[C@@H]1CCO[C@H]1C
192339844	ZINC000273862376	ref	6.98	-10.51	0	283.335	3.221	0	6	5	CCC[C@@H](C)c1nc(-c2cccc(-n3cccn3)n2)no1
192339846	ZINC000273863783	ref	5.52	-41.28	1	281.352	2.222	2	4	4	COC(=O)c1ccc([C@@H](C)[NH+]2CCC(C)(CO)CC2)o1
192339849	ZINC000273863783	mid	3.29	-8.41	0	281.352	2.222	1	5	4	COC(=O)c1ccc([C@@H](C)N2CCC(C)(CO)CC2)o1
192339852	ZINC000273862255	ref	9.63	-14.06	0	294.318	2.221	0	7	4	C1=C[C@@H](Cc2nc(-c3cccnc3-n3cncn3)no2)CC1
192339855	ZINC000273863758	ref	4.21	-7.33	0	281.331	2.402	2	3	3	CO[C@@H]1[C@@H](C)[C@@H](NC(=O)Nc2ccncc2F)C1(C)C
192339859	ZINC000273861340	ref	4.56	-8.69	0	283.372	1.351	1	6	9	CCC[C@](C)(NCc1cnn(CCOC)c1)C(=O)OC
192339863	ZINC000273862917	ref	2.74	-12.68	0	292.339	1.661	1	5	3	C[C@H]1CC(c2noc(CN3CC(=O)NC3=O)n2)C[C@H](C)C1
192339865	ZINC000273862917	high	0.9	-41.88	-1	292.339	1.661	0	5	3	C[C@H]1CC(c2noc(CN3CC(=O)[N-]C3=O)n2)C[C@H](C)C1
342078984	ZINC000625299060	low	4.65	-43.39	1	277.349	1.766	2	2	5	O=S(=O)(NCc1c[nH+]c[nH]1)c1ccc(C2CC2)cc1
342078985	ZINC000625299060	low	4.64	-43.35	1	277.349	1.766	2	2	5	O=S(=O)(NCc1c[nH]c[nH+]1)c1ccc(C2CC2)cc1
342078986	ZINC000608857049	ref	2.3	-10.32	0	297.348	1.615	1	4	6	COc1cc(F)c(S(=O)(=O)NCCSC)c(F)c1
365634572	ZINC000336551019	ref	6.39	-11.64	0	272.348	2.48	0	3	3	Cc1ccnc(OC2CCN(C(=O)C3=CCC3)CC2)c1
178301907	ZINC000237196963	ref	5.0	-51.11	1	366.465	1.642	2	3	5	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])c3ccccc3)c2)CC1
365634577	ZINC000336551691	ref	6.17	-18.14	0	279.34	2.264	1	3	2	CSc1c(F)cccc1C(=O)N=c1cc(C)n(C)[nH]1
365634581	ZINC000336550888	ref	3.96	-7.56	0	263.385	2.345	1	4	3	O[C@@H]1CCCN(Cc2ccn(C3CCCC3)n2)CC1
178301910	ZINC000237196963	mid	4.67	-16.22	0	366.465	1.642	2	4	5	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H](N)c3ccccc3)c2)CC1
365634588	ZINC000336550888	mid	6.07	-34.22	1	263.385	2.345	2	3	3	O[C@@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)CC1
365634589	ZINC000336550888	mid	5.86	-34.58	1	263.385	2.345	2	3	3	O[C@@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)CC1
365634594	ZINC000336551711	ref	8.1	-10.69	0	275.396	2.394	0	3	3	CC1=C[C@H](C)CN(C(=O)CCc2c(C)nn(C)c2C)C1
365634599	ZINC000336551678	ref	5.53	-12.61	0	288.457	2.221	1	2	3	C[C@H](C[S@](C)=O)NC(=O)N1CC(C)(C)CC(C)(C)C1
365634602	ZINC000336551172	ref	8.77	-15.35	0	298.39	2.148	0	4	2	Cn1cccc1[C@H]1CCCN1C(=O)[C@@H]1CCn2ccnc2C1
178301911	ZINC000237196963	low	7.35	-97.65	2	366.465	1.642	3	2	5	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]([NH3+])c3ccccc3)c2)CC1
365634606	ZINC000336551172	low	9.23	-39.02	1	298.39	2.148	0	3	2	Cn1cccc1[C@H]1CCCN1C(=O)[C@@H]1CCn2cc[nH+]c2C1
365634610	ZINC000336551750	ref	5.3	-45.81	-1	280.328	2.071	0	3	2	Cc1ccc(F)c(CN(C)C(=O)N=c2[n-]ncs2)c1
365634615	ZINC000336551115	ref	4.36	-9.19	0	269.366	2.396	0	4	3	COc1csc(C(=O)N2CC[C@H](OC)C[C@@H]2C)c1
365634618	ZINC000336550885	ref	3.45	-6.02	0	263.385	2.345	1	4	3	O[C@H]1CCCN(Cc2ccn(C3CCCC3)n2)CC1
365634623	ZINC000336550885	mid	6.01	-33.64	1	263.385	2.345	2	3	3	O[C@H]1CCC[N@H+](Cc2ccn(C3CCCC3)n2)CC1
365634627	ZINC000336550885	mid	5.76	-34.45	1	263.385	2.345	2	3	3	O[C@H]1CCC[N@@H+](Cc2ccn(C3CCCC3)n2)CC1
365634629	ZINC000336551624	ref	4.44	-10.47	0	294.317	2.395	1	2	2	CC1(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)COC1
365634633	ZINC000336551144	ref	2.32	-13.13	0	268.725	2.462	1	4	2	O=C1NCC[C@H]1Sc1nc2ccc(Cl)cc2o1
349534766	ZINC000618813802	ref	5.91	-40.2	1	279.388	1.038	1	4	4	C[C@@H](C(=O)N(C)Cc1cn(C)nn1)[NH+]1CCCCCC1
365634638	ZINC000336551656	ref	8.28	-13.32	0	290.407	2.06	0	2	2	CC1=C[C@H](C)CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1
342595714	ZINC000590781538	ref	5.35	-9.95	0	286.335	1.362	2	4	4	Cc1nc(NC(=O)C(=O)NC[C@H](C)C2CC2)ccc1C#N
192339822	ZINC000421445251	ref	4.54	-11.24	0	249.339	1.902	1	4	4	C[C@@H](C(=O)NCc1cccs1)c1ccnn1C
192339824	ZINC000421443562	ref	6.53	-9.41	0	245.313	2.974	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]1(C)CC1(F)F
192339827	ZINC000421440428	ref	8.15	-9.28	0	241.334	2.98	1	1	2	O=C(N[C@@H]1CCc2ccccc21)[C@@]12CCC[C@@H]1C2
192339830	ZINC000421445011	ref	7.16	-6.01	0	249.379	3.109	1	2	3	Cc1ccsc1CNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
192339833	ZINC000421444672	ref	6.93	-8.47	0	245.322	2.29	1	2	5	Cc1ccccc1OCCNC(=O)[C@H]1CC12CC2
192339836	ZINC000421444624	ref	7.66	-6.76	0	235.371	3.262	1	1	2	O=C(NC1CCCCCC1)[C@@H]1CC[C@@H]2C[C@@H]2C1
187169733	ZINC000125098641	high	4.6	-2.73	0	278.293	2.886	1	2	6	CCN(C)CCNCc1cc(F)cc(C(F)(F)F)c1
398249061	ZINC000651465510	ref	4.53	-5.37	0	299.212	3.117	2	3	5	Cc1ccnc(NCCC2(CO)CCC2)c1Br
192339839	ZINC000421441155	ref	8.6	-7.03	0	235.371	3.214	0	1	2	C[C@@H]1CCC[C@H](N(C)C(=O)[C@]23CCC[C@H]2C3)C1
192339842	ZINC000421443691	ref	6.55	-8.0	0	223.291	2.91	1	1	2	Cc1c(F)cccc1C(=O)NCC(C)(C)C
192339845	ZINC000421443060	ref	7.34	-6.74	0	221.344	2.729	1	1	3	C[C@@H]1CCC[C@@H](CNC(=O)[C@@H]2CC23CC3)C1
192339848	ZINC000421443465	ref	4.65	-11.47	0	223.32	1.686	1	3	3	C[C@@H](C(=O)NCC(C)(C)C)c1ccnn1C
398249064	ZINC000651465510	low	4.9	-32.27	1	299.212	3.117	2	2	5	Cc1cc[nH+]c(NCCC2(CO)CCC2)c1Br
192339854	ZINC000421443046	ref	8.5	-7.65	0	247.313	2.673	1	1	4	C[C@H](Cc1ccccc1F)NC(=O)[C@H]1CC12CC2
192339857	ZINC000421440868	ref	8.61	-6.49	0	223.36	3.071	0	1	5	CCCN(CC(C)C)C(=O)[C@@]12CCC[C@@H]1C2
192339860	ZINC000421439252	ref	7.53	-6.59	0	235.371	3.119	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@]12CCC[C@H]1C2
192339862	ZINC000421442812	ref	7.82	-6.54	0	235.371	3.118	1	1	2	C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)C1
192339866	ZINC000421440163	ref	5.91	-10.93	0	230.311	1.93	1	2	4	O=C(NCCc1ccncc1)[C@@]12CCC[C@@H]1C2
342595715	ZINC000616964043	ref	3.55	-20.12	0	285.347	1.277	3	2	4	CCc1cccc2c(CC(=O)N[C@@H]3CCNC3=O)c[nH]c12
192339869	ZINC000421439659	ref	6.23	-8.04	0	221.3	1.566	0	2	1	O=C([C@@H]1CC12CC2)N1CCO[C@@H]2CCC[C@@H]21
192339872	ZINC000421442136	ref	5.57	-11.52	0	223.32	1.78	0	3	4	CCN(C(=O)[C@H](C)c1ccnn1C)C(C)C
192339877	ZINC000421442594	ref	9.49	-9.01	0	249.379	2.939	0	2	5	CCN(CCc1cccs1)C(=O)[C@H]1CC12CC2
192339880	ZINC000421442808	ref	7.81	-6.35	0	235.371	3.118	1	1	2	C[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)C1
342078987	ZINC000608857049	mid	1.93	-47.02	-1	297.348	1.615	0	4	6	COc1cc(F)c(S(=O)(=O)[N-]CCSC)c(F)c1
214185041	ZINC000278486120	ref	8.15	-21.31	0	322.405	1.641	1	5	7	CCOC(=O)C[C@@](C)(NC(=O)Cn1ccc(C)cc1=O)C(C)C
214185044	ZINC000278485062	ref	5.78	-17.85	0	319.879	2.778	1	3	6	C[C@H](CC[S@](C)=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1
214185049	ZINC000278485156	ref	4.29	-14.38	0	315.786	1.841	2	8	6	COC(=O)c1sc(NCCNc2ccn(C)n2)nc1Cl
214185053	ZINC000278486580	ref	4.16	-8.72	0	320.433	2.558	3	4	9	CCCCNc1ccccc1C(=O)NCC1(O)CC(OCC)C1
214185055	ZINC000278484815	ref	8.31	-46.92	1	301.434	2.716	3	1	6	C[C@@H](CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1
214185058	ZINC000278484815	mid	8.32	-47.21	1	301.434	2.716	3	1	6	C[C@@H](CC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1
214185062	ZINC000278484815	high	5.87	-8.21	0	301.434	2.716	2	2	6	C[C@@H](CCN1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1
178301912	ZINC000082797170	ref	3.5	-11.42	0	256.4	2.219	1	6	5	CN[C@](C)(C#N)C[C@H](C)Sc1nnc(C)s1
178301915	ZINC000082797170	low	4.48	-48.86	1	256.4	2.219	1	5	5	C[NH2+][C@](C)(C#N)C[C@H](C)Sc1nnc(C)s1
214185066	ZINC000278486047	ref	8.28	-42.76	1	318.442	2.546	1	3	5	CS[C@@H]1CCC[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1
214185070	ZINC000278486726	ref	8.58	-47.16	1	322.474	2.311	1	3	3	Cc1ccc(CC(=O)N2CC[N@H+](C3CCOCC3)C[C@H]2C)s1
214185075	ZINC000278486726	mid	8.36	-47.7	1	322.474	2.311	1	3	3	Cc1ccc(CC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)s1
214185078	ZINC000278486726	high	6.2	-8.72	0	322.474	2.311	0	4	3	Cc1ccc(CC(=O)N2CCN(C3CCOCC3)C[C@H]2C)s1
214185081	ZINC000278485137	ref	9.01	-19.37	0	322.315	2.646	2	4	3	CC1(C)CC[C@@H](C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)O1
214185085	ZINC000278485137	low	9.06	-16.54	0	322.315	2.646	2	4	3	CC1(C)CC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)O1
214185088	ZINC000278485137	high	9.01	-62.25	-1	322.315	2.646	1	4	3	CC1(C)CC[C@@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1
214185090	ZINC000278485137	high	8.93	-63.4	-1	322.315	2.646	1	4	3	CC1(C)CC[C@@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1
214185094	ZINC000278485137	high	8.9	-63.47	-1	322.315	2.646	1	4	3	CC1(C)CC[C@@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1
214185098	ZINC000278486325	ref	1.13	-10.18	0	322.224	1.808	2	3	6	Cc1ccc(Br)c(S(=O)(=O)NCCCCO)c1
178301918	ZINC000082796579	ref	7.31	-47.84	1	266.344	2.821	2	1	2	Cc1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1
192339870	ZINC000081922858	mid	4.68	-12.47	0	305.374	2.485	1	3	3	CN[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)c1ccccc1F
192339874	ZINC000081924144	ref	3.15	-53.2	1	313.419	2.061	1	4	3	CC(C)(C)S(=O)(=O)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2
342595716	ZINC000616963999	ref	3.36	-20.2	0	264.3	1.324	2	2	4	C[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1F
365634582	ZINC000625072375	mid	7.67	-43.48	1	320.433	2.315	2	3	8	CCc1ccccc1NC(=O)C[N@H+](C)CCOC1CCOCC1
192339876	ZINC000081924144	mid	2.81	-12.76	0	313.419	2.061	1	5	3	CC(C)(C)S(=O)(=O)C[C@H](N)c1ccc2c(c1)OCCCO2
398249065	ZINC000649443172	ref	6.71	-41.6	1	243.35	2.377	2	1	4	O[C@@H](Cc1ccc(C2=CC[NH2+]CC2)cc1)C1CC1
192339879	ZINC000081926118	ref	8.83	-16.87	0	318.442	2.318	0	3	1	CC(=O)N1c2ccccc2C[C@H]1C(=O)N1CCSC(C)(C)C1
192339881	ZINC000081925833	ref	9.01	-17.11	0	317.418	1.559	0	6	3	CC1(C)CN(C(=O)Cc2ccc(-n3cnnn3)cc2)CCS1
192339884	ZINC000081923747	ref	3.66	-13.2	0	303.383	2.062	1	4	3	N[C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)Cc1ccccc1
192339887	ZINC000081923747	mid	3.97	-50.13	1	303.383	2.062	1	3	3	[NH3+][C@H]1c2ccccc2OC[C@@H]1S(=O)(=O)Cc1ccccc1
192339890	ZINC000081923029	ref	3.31	-13.9	0	309.362	2.308	1	4	5	COc1ccccc1[C@H](N)CS(=O)(=O)c1ccccc1F
192339893	ZINC000081923029	mid	3.76	-47.66	1	309.362	2.308	1	3	5	COc1ccccc1[C@H]([NH3+])CS(=O)(=O)c1ccccc1F
192339894	ZINC000081925440	ref	5.36	-16.94	0	322.394	1.141	1	7	4	CC1(C)CN(C(=O)CCc2nc(-c3nc[nH]n3)no2)CCS1
282122496	ZINC000332351177	ref	4.8	-36.21	1	311.426	0.614	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC2CCCCCC2)CCO1
192339900	ZINC000081923255	ref	3.16	-43.35	1	313.419	1.626	1	4	6	CCC[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(OC)cc1
365634587	ZINC000625072375	mid	7.7	-43.34	1	320.433	2.315	2	3	8	CCc1ccccc1NC(=O)C[N@@H+](C)CCOC1CCOCC1
365634592	ZINC000625072486	ref	6.41	-8.6	0	302.304	2.323	1	5	5	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC(F)(F)F
365634596	ZINC000625072660	ref	3.25	-10.92	0	319.467	2.07	1	4	8	CCOCCC1(CNS(=O)(=O)[C@H]2COC(C)(C)C2)CCC1
365634601	ZINC000625073594	ref	6.86	-10.08	0	318.425	2.326	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)O[C@H](C)[C@@H]1C
365634607	ZINC000625071749	ref	1.95	-10.19	0	319.373	2.103	2	3	4	Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2CO)c(F)c1F
365634611	ZINC000625071749	high	2.33	-42.63	-1	319.373	2.103	1	3	4	Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CO)c(F)c1F
365634586	ZINC000576595922	mid	6.76	-13.78	0	248.33	1.596	1	3	6	CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1cnc[nH]1
365634591	ZINC000576595922	low	7.27	-43.43	1	248.33	1.596	1	2	6	CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1
365634595	ZINC000576595922	low	7.25	-43.47	1	248.33	1.596	1	2	6	CCN(C[C@H](C)C#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1
365634600	ZINC000576594154	ref	4.43	-6.47	0	245.326	1.953	1	3	3	CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)C1
365634605	ZINC000576594154	mid	6.01	-43.42	1	245.326	1.953	1	3	3	CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)C1
365634609	ZINC000576594154	mid	4.43	-6.47	0	245.326	1.953	0	4	3	CO[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@@H](C)C1
365634612	ZINC000576592493	ref	6.81	-8.13	0	215.312	2.629	0	1	3	CC[C@H](C)[C@@H](C)C(=O)N1CCC[C@@H](F)C1
365634617	ZINC000576594843	ref	3.95	-6.85	0	214.353	1.879	2	1	7	CCC[N@H+](CC(=O)NCC(C)C)C(C)C
365634622	ZINC000576594843	mid	5.76	-33.42	1	214.353	1.879	2	1	7	CCC[N@@H+](CC(=O)NCC(C)C)C(C)C
365634626	ZINC000576594843	high	3.95	-6.85	0	214.353	1.879	1	2	7	CCCN(CC(=O)NCC(C)C)C(C)C
365634632	ZINC000576594779	ref	4.03	-7.28	0	226.364	1.736	2	1	5	CC(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1
343993938	ZINC000599270987	mid	4.42	-7.57	0	293.367	1.654	0	6	7	COCCN(Cc1cnc(C(=O)OC)cn1)C1CCCC1
295666309	ZINC000412987523	ref	8.79	-11.93	0	302.359	2.698	0	7	4	Cc1cc2nnc(S[C@H](C)C(=O)c3ccco3)n2c(C)n1
365634635	ZINC000576594779	mid	6.41	-35.63	1	226.364	1.736	2	1	5	CC(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1
187169734	ZINC000125093370	ref	8.6	-36.51	1	266.41	2.438	1	2	5	CC[C@H]1CC[N@H+](CC(=O)N(C)Cc2cccs2)C1
365634639	ZINC000576594779	high	4.03	-7.28	0	226.364	1.736	1	2	5	CC(C)[C@@H](C)CNC(=O)CN1CC[C@H](C)C1
192037634	ZINC000273073496	ref	0.46	-14.79	0	271.342	0.622	3	5	6	CSc1ccc(NC(=O)N(CCO)CCO)nc1
398249067	ZINC000651462442	ref	4.37	-6.74	0	278.302	3.292	1	3	4	CCc1ncc(CN[C@@H]2CCc3c(F)cc(F)cc32)o1
365634644	ZINC000576598410	ref	5.56	-6.69	0	228.299	1.975	0	4	2	N#Cc1nccc(N2CC(C3CCCC3)C2)n1
365634649	ZINC000576596143	ref	4.94	-31.5	1	224.348	1.775	2	1	3	C[C@H]1CCC(C)(C)[N@@H+]1CC[C@@H]1CCNC1=O
365634653	ZINC000576596143	mid	4.65	-32.7	1	224.348	1.775	2	1	3	C[C@H]1CCC(C)(C)[N@H+]1CC[C@@H]1CCNC1=O
365634658	ZINC000576595890	ref	3.16	-10.25	0	248.33	0.838	0	4	3	Cc1ccnc(CN(C)[C@@H]2CCC(=O)N(C)C2)n1
365634664	ZINC000576595890	low	5.44	-44.09	1	248.33	0.838	1	3	3	Cc1ccnc(C[N@@H+](C)[C@@H]2CCC(=O)N(C)C2)n1
365634666	ZINC000576595890	low	5.44	-44.2	1	248.33	0.838	1	3	3	Cc1ccnc(C[N@H+](C)[C@@H]2CCC(=O)N(C)C2)n1
365634670	ZINC000576593483	ref	3.8	-44.58	1	242.319	0.301	2	3	6	CCOC(=O)C[C@H](C)CNC(=O)[C@H]1CC[NH2+]C1
214185050	ZINC000293575315	ref	2.92	-23.39	0	350.396	0.419	0	5	3	CN1C(=O)c2ccc(C(=O)N3CC[C@H](CS(C)(=O)=O)C3)cc2C1=O
214185057	ZINC000293581481	ref	4.23	-19.38	0	361.373	0.791	2	4	4	O=C1C[C@@H](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CF)cc2)C(=O)N1
214185059	ZINC000293571614	ref	6.48	-51.85	1	371.437	0.961	3	5	6	COC(=O)c1ccc(C(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)n1C
214185063	ZINC000293571614	mid	6.55	-51.63	1	371.437	0.961	3	5	6	COC(=O)c1ccc(C(=O)NC[C@H](O)C[N@H+]2CCc3ccccc3C2)n1C
214185067	ZINC000293571614	high	4.22	-11.5	0	371.437	0.961	2	6	6	COC(=O)c1ccc(C(=O)NC[C@H](O)CN2CCc3ccccc3C2)n1C
214185071	ZINC000293581535	ref	2.68	-9.75	0	352.391	0.203	3	7	5	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@]1(O)CCC[C@@H]1C
214185077	ZINC000293585280	ref	2.55	-17.3	0	359.382	0.078	2	5	5	CCOC1CN(C(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)C1
214185082	ZINC000293581090	ref	3.35	-22.68	0	369.228	0.864	0	4	4	C[C@H](C[S@@](C)=O)N(C)C(=O)c1cnn(C)c1I
214185086	ZINC000293580736	ref	7.66	-21.03	0	355.377	0.943	2	7	4	Nc1ncnc2c1ncn2CC(=O)N[C@H]1CCN(c2ccccc2F)C1
214185092	ZINC000293581116	ref	2.91	-13.69	0	366.368	0.899	0	6	5	N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)F)C2)nc1
214185096	ZINC000293582723	ref	8.76	-52.71	1	360.462	0.587	2	6	6	Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C
214185103	ZINC000293582723	mid	9.0	-52.17	1	360.462	0.587	2	6	6	Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C
214185106	ZINC000293582723	high	7.48	-17.88	0	360.462	0.587	1	7	6	Cc1nc2ncnn2c(C)c1CCC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C
214185109	ZINC000293582625	ref	4.49	-12.12	0	352.318	0.713	1	6	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)OCO3)C1
214185114	ZINC000293577058	ref	6.02	-26.27	0	366.443	0.259	1	7	7	Cc1ccc(S(=O)(=O)C[C@@H](C)NC(=O)CCn2ncn(C)c2=O)cc1
214185118	ZINC000293578416	ref	8.01	-42.79	1	362.449	0.931	2	3	6	C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2)CC1=O
214185122	ZINC000293578416	high	5.54	-11.91	0	362.449	0.931	1	4	6	CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCN(c3ccccc3F)C2)CC1=O
214185126	ZINC000293577835	ref	2.33	-14.28	0	362.438	0.484	2	8	7	CCn1nncc1C(=O)NC[C@H](NC(=O)c1cnnn1CC)C(C)(C)C
259308290	ZINC000322971901	ref	6.78	-38.48	1	221.344	2.9	1	1	6	CC[C@](C)(C[NH2+]Cc1ccccc1C)OC
365634598	ZINC000122962328	low	6.84	-41.26	1	299.403	2.04	1	5	3	Cc1ncsc1C[NH+]1CCN(c2ncccc2C#N)CC1
365634604	ZINC000123094843	ref	4.15	-12.66	0	251.355	2.374	1	4	4	CCc1ncc(C(=O)N[C@](C)(C#N)C(C)C)s1
342595717	ZINC000616964022	ref	2.37	-19.25	0	262.309	1.012	2	3	4	CCOc1cc(C(=O)N[C@H]2CCNC2=O)ccc1C
365634614	ZINC000123054285	ref	6.62	-7.25	0	278.289	2.448	0	5	2	O=C(c1ccc([N+](=O)[O-])o1)N1CCc2ccsc2C1
398249068	ZINC000650870865	ref	2.39	-16.43	0	293.367	1.188	3	3	5	C[C@@H](CCO)N(C)C(=O)NCc1cc2c([nH]c1=O)CCC2
398249073	ZINC000650873607	ref	2.3	-12.32	0	296.342	1.184	3	3	7	O=C(NCCc1ccc2c(c1)CCO2)N[C@@H](CO)CCF
398249080	ZINC000650874270	ref	2.19	-10.62	0	284.4	1.796	3	3	5	C[C@H](NC(=O)NCC[C@@]1(O)CCCOC1)C1CCCC1
365634621	ZINC000122995277	ref	5.01	-5.84	0	277.364	2.147	1	3	8	C=CCOc1ccc(C[NH2+]C[C@@]2(OC)CCOC2)cc1
178301923	ZINC000237183339	ref	5.21	-47.81	1	353.488	1.477	2	3	8	C[NH2+]CCCC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1
178301926	ZINC000237185937	ref	3.71	-60.78	1	359.474	1.77	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)N[C@H]3CCC[C@H]3C[NH3+])c(C)c12
178301930	ZINC000237184085	ref	3.23	-53.43	1	360.863	1.922	2	4	5	COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1
214185084	ZINC000337623744	mid	1.85	-13.37	0	287.314	0.786	2	3	5	CN(C)CCn1ccc(=NC(=O)NC2(C(F)F)CC2)[nH]1
178301934	ZINC000237184816	ref	3.44	-55.12	1	359.474	1.914	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)NC3(C[NH3+])CCCC3)c(C)c12
398249086	ZINC000650874546	ref	-0.08	-12.26	0	297.355	1.139	3	5	6	CC(C)c1cc(CNC(=O)NCC[C@]2(O)CCOC2)on1
398249093	ZINC000650874309	ref	0.93	-11.18	0	270.373	1.406	3	3	5	C[C@H](NC(=O)NCC[C@]1(O)CCOC1)C1CCCC1
365634628	ZINC000122995277	high	5.01	-5.84	0	277.364	2.147	1	4	8	C=CCOc1ccc(CNC[C@@]2(OC)CCOC2)cc1
365634636	ZINC000123088888	ref	6.34	-13.43	0	287.363	2.168	2	3	5	CCc1ccc(CC)c(NC(=O)C(=O)N[C@@H](C)CC#N)c1
365639183	ZINC000623071605	ref	3.26	-50.39	1	308.382	1.133	1	5	3	CCc1nc(C(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)no1
365639188	ZINC000623071667	ref	0.3	-63.78	1	320.393	1.309	2	4	3	COc1ncccc1NC(=O)N1C[C@@H](C[NH3+])C2(CCOCC2)C1
214185087	ZINC000337622595	ref	2.25	-34.95	-1	289.217	0.601	1	4	3	Cn1cc(OCC(=O)N=c2cc(C(F)(F)F)[n-][nH]2)cn1
398249099	ZINC000650874518	ref	6.95	-15.55	0	270.348	1.594	0	2	4	CCC[C@@H](C)N1C[C@@H](C(=O)N2CC[C@H](F)C2)CC1=O
398249069	ZINC000649443136	ref	6.15	-8.18	0	214.268	2.33	0	3	1	Cc1c(-c2ccc3c(c2)CCO3)cnn1C
365634616	ZINC000625070534	ref	5.15	-9.1	0	307.413	2.11	1	3	4	CC(C)(C)CNC(=O)CN1CCN(c2ccccc2F)CC1
365634620	ZINC000625073607	ref	4.65	-11.16	0	322.434	2.226	1	5	6	CC(C)C(NS(=O)(=O)c1cnnn1-c1ccccc1)C(C)C
178301917	ZINC000075606477	ref	3.91	-8.7	0	205.286	2.118	2	3	0	Cc1cc2nc(N)c(=S)[nH]c2cc1C
365634625	ZINC000625073607	high	4.17	-39.63	-1	322.434	2.226	0	5	6	CC(C)C([N-]S(=O)(=O)c1cnnn1-c1ccccc1)C(C)C
432002735	ZINC000129186795	ref	10.19	-43.59	1	322.452	3.304	2	1	9	O=C(CC[NH2+][C@@H](Cc1ccccc1)C1CC1)NCc1ccccc1
282122497	ZINC000353191708	ref	5.3	-51.06	1	291.399	0.652	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)CC2
282122498	ZINC000334060560	ref	7.64	-20.93	0	312.373	1.411	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCc3ccccc3O1)CC2
178301922	ZINC000075606477	high	3.5	-42.87	-1	205.286	2.118	1	3	0	Cc1cc2nc(N)c(=S)[n-]c2cc1C
178301925	ZINC000082729113	ref	5.67	-7.58	0	227.065	1.382	1	4	0	Cc1cc2nc(N)nn2cc1Br
299072204	ZINC000459273728	ref	6.74	-11.88	0	304.781	2.86	1	3	2	C[C@H](NC(=O)N1Cc2cccc(Cl)c2C1)c1ccn(C)n1
365634637	ZINC000625071673	ref	5.1	-14.06	0	314.336	2.388	1	6	7	CC(C)Cn1c(-c2ccc(CO)o2)nnc1N(C)CC(F)F
178301928	ZINC000026462250	ref	4.85	-10.78	0	232.327	2.885	2	2	5	Cc1cc2nc(CCCCCO)[nH]c2cc1C
365634641	ZINC000625074644	ref	5.57	-11.15	0	321.442	2.202	1	3	3	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2[C@@H]3CCc4ccccc4[C@@H]32)CO1
365634645	ZINC000625072713	ref	5.1	-14.87	0	324.446	2.424	0	4	3	Cc1cccc([C@@H]2CCCN2S(=O)(=O)[C@H]2COC(C)(C)C2)n1
300267442	ZINC000336272981	ref	5.18	-11.86	0	295.395	2.178	0	3	2	C[C@H]1CN(C[C@H]2CCCCC2(F)F)CCS(=O)(=O)C1
365634650	ZINC000625073795	ref	5.91	-11.28	0	311.394	2.108	0	3	7	CCO[C@@H](CS(=O)(=O)N1CCC(C(F)F)CC1)C1CC1
365634654	ZINC000625071751	ref	2.41	-11.01	0	319.373	2.103	2	3	4	Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2CO)c(F)c1F
365634656	ZINC000625071751	high	2.33	-43.24	-1	319.373	2.103	1	3	4	Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c(F)c1F
365634660	ZINC000625072731	ref	8.47	-48.06	1	324.388	2.259	0	7	6	COc1cncc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)n1
178301932	ZINC000026462250	mid	5.28	-30.35	1	232.327	2.885	2	1	5	Cc1cc2[nH]c(CCCCCO)[nH+]c2cc1C
178301936	ZINC000102673493	ref	6.86	-42.94	-1	239.278	2.334	0	3	2	Cc1cc2nc(Cc3ccccc3)cc(=O)n2[n-]1
365634640	ZINC000617429675	ref	4.98	-27.14	0	283.295	0.757	1	7	2	C[C@H]1C[C@@H](NC(=O)c2cnn3cccnc23)c2ncnn21
365634642	ZINC000617425916	ref	4.2	-27.34	0	284.283	0.152	1	8	2	C[C@H]1C[C@H](NC(=O)c2ccn3nnnc3c2)c2ncnn21
365634648	ZINC000617426368	ref	3.93	-16.37	0	294.355	0.984	1	6	4	CC(C)O[C@]1(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)CCOC1
365634652	ZINC000617424932	ref	2.22	-24.71	0	279.344	0.548	2	5	5	CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@H](C)n2ncnc21
178301920	ZINC000082796579	high	5.66	-9.26	0	266.344	2.821	2	2	2	Cc1cccc(NC(=O)[C@H]2CNCc3ccccc32)c1
365634657	ZINC000617426026	ref	5.36	-21.34	0	291.355	0.659	1	5	4	CCCN1C[C@H](C(=O)N[C@H]2C[C@@H](C)n3ncnc32)CC1=O
365634661	ZINC000617425696	ref	3.09	-16.94	0	258.285	0.812	1	6	2	Cc1cnc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)cn1
365634668	ZINC000617426463	ref	4.81	-17.22	0	287.327	0.715	1	7	4	C[C@@H]1C[C@H](NC(=O)c2cn(CC3CC3)nn2)c2ncnn21
365634672	ZINC000617425555	ref	4.56	-18.59	0	299.334	0.83	2	5	4	C[C@H]1C[C@@H](NC(=O)CNC(=O)c2ccccc2)c2ncnn21
365634676	ZINC000617425408	ref	2.22	-19.79	0	250.302	0.561	2	5	2	C[C@H]1C[C@@H](NC(=O)C2CC(C)(O)C2)c2ncnn21
365634680	ZINC000617425697	ref	3.09	-17.05	0	258.285	0.812	1	6	2	Cc1cnc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)cn1
365634684	ZINC000617425578	ref	4.03	-16.45	0	250.302	0.561	2	5	3	C[C@@H]1C[C@@H](NC(=O)[C@H](O)C2CCC2)c2ncnn21
365634688	ZINC000617429673	ref	4.99	-27.73	0	283.295	0.757	1	7	2	C[C@@H]1C[C@@H](NC(=O)c2cnn3cccnc23)c2ncnn21
342078988	ZINC000625299322	ref	2.79	-50.91	-1	262.353	1.915	3	2	3	CC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2O)C1
365634691	ZINC000617424933	ref	2.22	-23.71	0	279.344	0.548	2	5	5	CC(C)C[C@H](C(N)=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365634696	ZINC000617426464	ref	4.81	-16.99	0	287.327	0.715	1	7	4	C[C@H]1C[C@@H](NC(=O)c2cn(CC3CC3)nn2)c2ncnn21
365634699	ZINC000617425374	ref	5.07	-20.77	0	250.302	0.968	1	5	2	C[C@@H]1CC[C@H](C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)O1
365634703	ZINC000617425237	ref	6.86	-24.41	0	298.31	0.46	1	8	2	Cc1cnc2nc(C(=O)N[C@H]3C[C@H](C)n4ncnc43)nn2c1
365634707	ZINC000617425915	ref	4.18	-26.35	0	284.283	0.152	1	8	2	C[C@@H]1C[C@H](NC(=O)c2ccn3nnnc3c2)c2ncnn21
365634711	ZINC000617425235	ref	6.85	-24.64	0	298.31	0.46	1	8	2	Cc1cnc2nc(C(=O)N[C@H]3C[C@@H](C)n4ncnc43)nn2c1
342078989	ZINC000625299322	mid	4.92	-39.88	1	262.353	1.915	3	2	3	CC[N@H+]1CCC[C@H](NC(=O)c2c(C)cccc2O)C1
214185093	ZINC000337621349	ref	6.34	-10.03	0	283.412	2.467	0	3	6	COCCOC1CN(C(=O)CC2CCC(C)(C)CC2)C1
214185097	ZINC000337623063	ref	7.59	-13.2	0	286.326	2.102	1	3	5	O=C(NCCCn1ccnc1)N1CCCC[C@H]1C(F)F
214185099	ZINC000337623063	low	8.1	-40.71	1	286.326	2.102	1	2	5	O=C(NCCCn1cc[nH+]c1)N1CCCC[C@H]1C(F)F
343993940	ZINC000599269493	ref	1.83	-15.42	0	290.367	1.96	1	6	5	Cc1nc([C@@H]2CCCCN2C[C@@H](O)CC2(C#N)CC2)no1
343993942	ZINC000599269493	low	4.4	-36.39	1	290.367	1.96	2	5	5	Cc1nc([C@@H]2CCCC[N@@H+]2C[C@@H](O)CC2(C#N)CC2)no1
214185108	ZINC000337620662	ref	9.26	-13.39	0	298.39	2.487	2	3	6	CC[C@H]1C[C@]1(NC(=O)CCc1nnc[nH]1)c1cccc(C)c1
214185110	ZINC000337620662	mid	8.87	-12.74	0	298.39	2.487	2	3	6	CC[C@H]1C[C@]1(NC(=O)CCc1nc[nH]n1)c1cccc(C)c1
214185113	ZINC000337623794	ref	4.86	-12.63	0	281.315	3.4	1	4	2	Cc1ccc(C)c(C(=O)Nc2cnc3onc(C)c3c2)c1
214185117	ZINC000337623259	ref	1.86	-14.11	0	264.329	0.886	2	4	2	Cn1ncc2c1CCC[C@H]2NC(=O)N[C@@H]1CCOC1
214185121	ZINC000337622893	ref	0.81	-14.42	0	268.313	0.43	2	4	7	CCc1cc(C(=O)N(C)CCOCCO)cc(=O)[nH]1
178301927	ZINC000082796527	ref	3.94	-47.59	1	260.337	1.169	2	2	3	O=C(NC[C@H]1CCCO1)[C@@H]1C[NH2+]Cc2ccccc21
214185123	ZINC000337621177	ref	8.75	-8.44	0	273.376	3.106	1	2	6	CC[C@H]1C[C@]1(NC(=O)CCC(C)=O)c1cccc(C)c1
306234660	ZINC000557899683	ref	6.58	-7.89	0	346.475	1.713	2	4	8	CCc1nn(C)c(CC)c1CNC(=O)C(=O)NCC(C1CC1)C1CC1
214185129	ZINC000337621252	ref	1.98	-9.15	0	253.302	0.174	1	5	6	Cc1cc(C(=O)N(C)CCOCCO)nc(C)n1
214185133	ZINC000337623243	ref	-2.43	-19.54	0	261.322	-0.54	3	4	9	COCCOCCNC(=O)NCC(C)(C)C(N)=O
214185135	ZINC000337620370	ref	3.94	-43.0	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12
214185139	ZINC000337620370	mid	3.27	-41.19	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12
214185142	ZINC000337620614	ref	3.53	-15.05	0	297.314	3.101	1	5	3	COc1cc(C(=O)Nc2cnc3onc(C)c3c2)ccc1C
214185146	ZINC000337620426	ref	1.32	-9.17	0	282.275	0.752	2	5	5	Nc1c(C(=O)NCCN2CCC2)cc(F)cc1[N+](=O)[O-]
214185148	ZINC000337620426	mid	4.51	-47.86	1	282.275	0.752	3	4	5	Nc1c(C(=O)NCC[NH+]2CCC2)cc(F)cc1[N+](=O)[O-]
214185151	ZINC000337620945	ref	-2.05	-18.66	0	253.327	0.282	2	4	5	NC(=O)c1csc(C(=O)NCCN2CCC2)c1
133428419	ZINC000306475284	ref	2.74	-6.37	0	153.206	1.79	0	3	2	CC#CCSc1ncco1
365634643	ZINC000336551746	ref	7.72	-39.51	1	266.307	2.129	1	1	2	C[N@@H+]1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1
365634646	ZINC000336551746	mid	7.72	-39.48	1	266.307	2.129	1	1	2	C[N@H+]1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1
178301929	ZINC000082796527	high	2.45	-8.98	0	260.337	1.169	2	3	3	O=C(NC[C@H]1CCCO1)[C@@H]1CNCc2ccccc21
365634647	ZINC000336551746	high	5.64	-4.37	0	266.307	2.129	0	2	2	CN1CCCN(C(=O)CC(C)(C)C(F)(F)F)CC1
365634651	ZINC000336551375	ref	4.55	-10.01	0	277.349	2.242	0	5	3	CCc1ccsc1C(=O)N1CC(c2nc(C)no2)C1
365634655	ZINC000336551756	ref	7.2	-46.66	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)ccn1
365634659	ZINC000336551756	mid	7.58	-41.92	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)ccn1
365634663	ZINC000336551756	mid	5.57	-7.96	0	273.38	2.089	0	3	1	Cc1cc(C(=O)N2C[C@H]3CCCCN3C[C@H]2C)ccn1
365634667	ZINC000336550918	ref	6.01	-8.81	0	289.375	2.323	0	3	1	Cc1ccc(C)c(C(=O)N2C[C@@H](C)O[C@@]3(CCOC3)C2)c1
365634671	ZINC000336551101	ref	5.93	-12.69	0	299.802	2.179	0	4	3	CO[C@@H]1CCN(C(=O)Cn2nc(C)c(Cl)c2C)[C@H](C)C1
282122499	ZINC000332351177	high	2.26	-5.17	0	311.426	0.614	1	4	3	CN(C)C[C@@H]1CN(C(=O)C(=O)NC2CCCCCC2)CCO1
365634674	ZINC000336551100	ref	6.89	-10.23	0	278.396	2.084	1	2	3	CC1(C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1
365634678	ZINC000336551195	ref	5.26	-9.58	0	282.39	2.237	1	4	3	O=C1N[C@H](c2cccs2)C(=O)N1C[C@@H]1CCCS1
365634681	ZINC000336551672	ref	5.37	-12.92	0	288.457	2.221	1	2	3	C[C@@H](C[S@@](C)=O)NC(=O)N1CC(C)(C)CC(C)(C)C1
365634687	ZINC000336551191	ref	3.46	-10.79	0	272.348	2.335	3	2	3	O=C(NCc1cc2ccccc2[nH]1)[C@@H]1CCC[C@H](O)C1
365634692	ZINC000336551713	ref	7.52	-7.46	0	254.403	2.186	0	5	3	CC(C)n1ncnc1CN1CCSC(C)(C)C1
343993941	ZINC000079911194	ref	8.93	-32.98	1	291.395	2.035	1	3	4	CC(C)Oc1cccnc1C(=O)N(C)[C@H]1CCC[N@H+](C)C1
365634694	ZINC000336551713	low	9.24	-43.84	1	254.403	2.186	1	4	3	CC(C)n1ncnc1C[N@@H+]1CCSC(C)(C)C1
365634698	ZINC000336551713	low	9.14	-43.83	1	254.403	2.186	1	4	3	CC(C)n1ncnc1C[N@H+]1CCSC(C)(C)C1
365634700	ZINC000336550920	ref	5.98	-8.82	0	289.375	2.323	0	3	1	Cc1ccc(C)c(C(=O)N2C[C@H](C)O[C@]3(CCOC3)C2)c1
178301931	ZINC000082797964	ref	2.86	-46.11	1	261.372	1.299	1	6	5	COC(=O)[C@@](C)([NH3+])C[C@@H](C)Sc1nncs1
365634704	ZINC000336550783	ref	6.17	-8.51	0	281.396	2.363	0	3	3	C[C@H]1CN(C(=O)CCC2CCCC2)C[C@]2(CCOC2)O1
365634709	ZINC000336551116	ref	4.29	-10.51	0	269.366	2.396	0	4	3	COc1csc(C(=O)N2CC[C@@H](OC)C[C@@H]2C)c1
214185095	ZINC000053473148	ref	12.07	-16.99	0	349.438	2.869	1	5	5	Cc1nc2ncnn2c(C)c1CCC(=O)NC1(c2ccccc2)CCC1
214185100	ZINC000053492535	ref	7.76	-18.09	0	345.443	2.554	1	3	6	COc1ccc([C@@H]2CCCN2C(=O)NCCCN2CCCC2=O)cc1
214185105	ZINC000053482961	ref	2.96	-30.23	0	336.413	1.968	0	5	4	CCS(=O)(=O)CC(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1
299072205	ZINC000358088621	ref	3.96	-51.43	1	305.378	1.233	2	3	6	COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1
178301933	ZINC000082797964	mid	2.66	-9.06	0	261.372	1.299	1	7	5	COC(=O)[C@@](C)(N)C[C@@H](C)Sc1nncs1
299072214	ZINC000358088621	high	2.97	-12.3	0	305.378	1.233	2	4	6	COc1cccc(NC(=O)C[C@H](C)N[C@@H]2CC(=O)N(C)C2)c1
214185115	ZINC000053492379	ref	4.69	-23.3	0	349.391	1.318	3	5	9	O=C(NCCCN1CCCC1=O)NCCNc1ccccc1[N+](=O)[O-]
214185120	ZINC000053492600	ref	3.59	-13.59	0	325.434	1.679	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)NC2CC2)cc1
214185124	ZINC000053473311	ref	5.72	-9.7	0	327.384	1.699	1	5	6	COCCn1nc(C(=O)NC2(c3ccccc3)CCC2)ccc1=O
214185130	ZINC000053492033	ref	5.96	-16.0	0	333.457	2.535	2	3	5	O=C(NCCCN1CCCC1=O)N[C@H]1CCSc2ccccc21
214185134	ZINC000053468620	ref	4.47	-47.99	-1	333.75	2.898	2	4	5	N#Cc1c(F)cccc1NCCNC(=O)c1ccc([O-])c(Cl)c1
214185137	ZINC000053468620	mid	3.7	-20.2	0	333.75	2.898	3	4	5	N#Cc1c(F)cccc1NCCNC(=O)c1ccc(O)c(Cl)c1
214185140	ZINC000053492918	ref	4.9	-14.75	0	344.242	2.961	2	2	3	C[C@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc(Cl)c(Cl)c1
300267906	ZINC000337205333	mid	2.56	-35.28	1	298.349	1.077	3	3	4	C[C@H]1CN(C[C@](C)(O)C(F)(F)F)CC[N@H+]1CC(C)(C)O
214185143	ZINC000053485536	ref	9.0	-10.33	0	343.412	3.39	0	8	6	COc1cccc(-n2cnnc2S[C@H](C)c2nc(C3CC3)no2)c1
214185147	ZINC000053475906	ref	6.18	-15.67	0	340.326	1.385	1	4	4	COC(=O)C(C)(C)NC(=O)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
214185155	ZINC000053485260	ref	3.48	-19.82	0	348.424	3.287	2	5	8	CCCCOc1ccc(OC)cc1NC(=O)c1cc(C(N)=O)cs1
342078990	ZINC000625299322	high	2.79	-50.91	-1	262.353	1.915	1	3	3	CCN1CCC[C@H](NC(=O)c2c(C)cccc2[O-])C1
214190632	ZINC000337633863	ref	1.23	-14.02	0	265.313	0.612	2	4	7	CC[C@H](C)OCC(=O)NCc1ccc(C(N)=O)nc1
342078991	ZINC000625299566	ref	2.95	-11.48	0	257.359	1.053	1	4	4	Cc1ncc(S(=O)(=O)NCC2CC(C)C2)n1C
168366100	ZINC000076591593	ref	2.11	-36.62	1	156.189	-1.071	1	4	2	C[C@@H]([NH3+])Cn1ncn(C)c1=O
365634662	ZINC000625072731	mid	7.85	-51.24	1	324.388	2.259	1	6	6	COc1cncc(C[N@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)n1
365634665	ZINC000625072731	mid	8.47	-48.06	1	324.388	2.259	1	6	6	COc1cncc(C[N@@H+](C)[C@H](C)c2ccc(-n3cncn3)cc2)n1
365634669	ZINC000625074643	ref	5.07	-11.3	0	321.442	2.202	1	3	3	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2[C@H]3CCc4ccccc4[C@H]32)CO1
365634673	ZINC000625072828	ref	3.81	-5.24	0	313.825	2.317	3	3	8	C[N@H+](CCOc1ccc(Cl)cc1)C[C@H](O)CC1(O)CCC1
365634677	ZINC000625072828	mid	6.07	-39.49	1	313.825	2.317	3	3	8	C[N@@H+](CCOc1ccc(Cl)cc1)C[C@H](O)CC1(O)CCC1
185386260	ZINC000096753470	ref	1.9	-10.7	0	306.387	1.853	2	5	6	COc1ccc(Cc2nc(C(=O)NC[C@@H](C)O)cs2)cc1
365634679	ZINC000625072828	high	3.81	-5.24	0	313.825	2.317	2	4	8	CN(CCOc1ccc(Cl)cc1)C[C@H](O)CC1(O)CCC1
365634682	ZINC000625071457	ref	7.25	-11.18	0	318.425	2.328	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](OC(C)C)C1
342595718	ZINC000616964400	ref	4.28	-19.93	0	288.347	1.434	2	3	7	O=C(CCCCC(=O)c1ccccc1)N[C@@H]1CCNC1=O
365634686	ZINC000625074975	ref	4.96	-14.25	0	303.387	2.035	1	4	3	CC(C)N1C[C@H](NC(=O)c2nccc3ccsc23)CC1=O
178301941	ZINC000102673493	low	6.98	-14.26	0	239.278	2.334	1	3	2	Cc1cc2nc(Cc3ccccc3)cc(=O)n2[nH]1
432002736	ZINC000129205637	ref	6.33	-14.55	0	322.434	3.083	1	5	6	CC[C@H](NC(=O)N(C)CCc1nccs1)c1c(C)noc1C
365634693	ZINC000625071878	ref	4.26	-8.63	0	309.479	2.028	1	4	5	CC(C)(C)CNC(=O)CN1CCN(Cc2cccs2)CC1
178301948	ZINC000006008897	ref	0.6	-56.48	-1	241.272	0.288	0	5	2	Cc1cc2nc(CS(C)(=O)=O)cc(=O)n2[n-]1
178301953	ZINC000006008897	low	0.72	-25.78	0	241.272	0.288	1	5	2	Cc1cc2nc(CS(C)(=O)=O)cc(=O)n2[nH]1
178301956	ZINC000031943811	ref	7.94	-8.45	0	242.347	3.832	1	2	2	Cc1cc2nc(Cc3cccs3)[nH]c2cc1C
365634697	ZINC000625071878	mid	6.51	-38.64	1	309.479	2.028	2	3	5	CC(C)(C)CNC(=O)CN1CC[NH+](Cc2cccs2)CC1
365634702	ZINC000625070994	ref	7.32	-9.51	0	306.439	2.266	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1CCS[C@@H](C)C1
178301961	ZINC000031943811	low	8.38	-28.38	1	242.347	3.832	1	1	2	Cc1cc2[nH]c(Cc3cccs3)[nH+]c2cc1C
342595719	ZINC000616963831	ref	4.96	-17.09	0	274.364	1.821	2	2	5	CC[C@H](C)[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
342595720	ZINC000616963914	ref	5.27	-15.83	0	286.375	1.812	2	2	3	Cc1cccc(C2(C(=O)N[C@@H]3CCNC3=O)CCCC2)c1
365634675	ZINC000576593700	ref	4.92	-50.53	1	222.332	1.276	2	1	5	[NH3+][C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1
342595721	ZINC000616967421	ref	3.41	-18.87	0	295.342	1.342	2	3	2	O=C(N[C@H]1CCNC1=O)c1c2c(nc3ccccc13)CCC2
197592975	ZINC000162802043	ref	4.8	-19.03	0	320.414	2.418	2	5	4	Cc1cc([C@@H](C)NC(=O)Cn2c(C)cc(O)cc2=O)c(C)s1
365634683	ZINC000576594197	ref	3.23	-41.78	1	242.363	0.997	3	2	8	CCCNC(=O)CCC[N@@H+]1CC[C@@H](CCO)C1
365634685	ZINC000576594197	mid	3.31	-41.63	1	242.363	0.997	3	2	8	CCCNC(=O)CCC[N@H+]1CC[C@@H](CCO)C1
365634690	ZINC000576594728	ref	4.3	-12.42	0	242.363	2.145	2	2	9	C=CCCCCCNC(=O)N(C)CC[C@H](C)O
365634695	ZINC000175969594	ref	2.54	-11.81	0	231.255	1.979	2	3	3	COc1ccncc1NC(=O)c1cc[nH]c1C
365634701	ZINC000175969594	low	2.99	-32.61	1	231.255	1.979	2	2	3	COc1cc[nH+]cc1NC(=O)c1cc[nH]c1C
365634706	ZINC000576595518	ref	3.14	-7.12	0	217.272	1.176	0	4	2	N#Cc1ccc(CN2CCCOCC2)nc1
342595722	ZINC000616963491	ref	4.1	-16.63	0	272.348	1.186	2	2	2	C[C@@]1(C(=O)N[C@H]2CCNC2=O)CCc2ccccc2C1
365634710	ZINC000576595518	mid	5.61	-44.57	1	217.272	1.176	1	3	2	N#Cc1ccc(C[N@@H+]2CCCOCC2)nc1
365634714	ZINC000576595518	mid	5.18	-43.25	1	217.272	1.176	1	3	2	N#Cc1ccc(C[N@H+]2CCCOCC2)nc1
342595723	ZINC000616964401	ref	4.29	-19.93	0	288.347	1.434	2	3	7	O=C(CCCCC(=O)c1ccccc1)N[C@H]1CCNC1=O
365634718	ZINC000576594153	ref	4.31	-6.05	0	245.326	1.953	1	3	3	CO[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](C)C1
349534767	ZINC000618813802	high	3.6	-20.14	0	279.388	1.038	0	5	4	C[C@@H](C(=O)N(C)Cc1cn(C)nn1)N1CCCCCC1
212167045	ZINC000275168493	mid	2.72	-53.3	1	312.238	1.951	2	2	6	[NH3+]CC(F)(F)CNC(=O)c1ccc(OCC(F)(F)F)cc1
365634722	ZINC000576594153	mid	6.41	-38.25	1	245.326	1.953	1	3	3	CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)C1
365634724	ZINC000576594153	mid	4.31	-6.05	0	245.326	1.953	0	4	3	CO[C@H]1CCN(Cc2ccc(C#N)cn2)[C@H](C)C1
365634728	ZINC000576595238	ref	4.36	-9.7	0	248.282	3.126	1	4	2	Cc1ccc(C(=O)Nc2nc(C(C)(C)C)co2)o1
342595724	ZINC000616963705	ref	3.47	-14.9	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F
365634736	ZINC000576594713	ref	2.7	-16.87	0	238.331	1.194	2	2	6	CCCC1(CNC(=O)[C@@H]2CC[C@@H]2C(N)=O)CC1
212167049	ZINC000275168273	ref	3.95	-44.52	-1	302.258	0.542	0	5	3	N#Cc1cc(F)c(S(=O)(=O)N2CC(C(=O)[O-])C2)c(F)c1
365634740	ZINC000343858448	ref	8.33	-40.74	1	246.398	3.947	1	1	4	CC[C@H]([NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1)c1ccncc1
214185101	ZINC000278485247	ref	6.26	-12.15	0	303.337	3.344	1	4	4	COC(=O)N(C)c1ccc(NCc2ccc(F)nc2C)cc1
185088807	ZINC000096073009	ref	7.97	-36.96	1	298.39	2.343	2	3	3	c1cncc([C@@H]2COC3(CC[NH+](Cc4c[nH]cn4)CC3)C2)c1
342595725	ZINC000616963736	ref	3.07	-18.32	0	264.3	1.108	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1ccc(F)cc1
365634705	ZINC000625071479	ref	6.75	-12.39	0	304.423	2.018	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@@H]2C[C@H]1CS2
432002738	ZINC000129246594	ref	8.05	-45.18	1	300.446	3.076	2	1	5	O=C(C[C@@H]1CC[NH2+]C1)NCC1CCC(c2ccccc2)CC1
342595726	ZINC000616964087	ref	2.77	-19.33	0	286.253	1.253	2	2	3	O=C(Cc1ccccc1C(F)(F)F)N[C@H]1CCNC1=O
342595727	ZINC000616963975	ref	5.61	-19.05	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1
342595728	ZINC000616963706	ref	3.46	-17.75	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F
214185107	ZINC000278485768	ref	6.62	-16.16	0	316.401	2.321	2	3	5	CC(=O)N[C@H](CC1CCC1)C(=O)N[C@@H]1CCOc2ccccc21
214185112	ZINC000278485012	ref	4.53	-14.34	0	319.287	1.874	2	7	4	Cc1c(NOCC(C)(C)O)nn2c(C(F)(F)F)nnc2c1C
214185116	ZINC000278486141	ref	8.73	-10.72	0	320.392	3.38	1	3	3	C[C@@H]1COCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N
349534768	ZINC000621492268	ref	8.51	-9.39	0	286.366	3.253	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CCC(C2CCC2)CC1
214185119	ZINC000278486338	ref	4.8	-12.77	0	307.341	2.935	1	3	3	Cc1csc(CNC(=O)N2CC[C@H](CC(F)(F)F)C2)n1
214185125	ZINC000278486326	ref	5.43	-11.13	0	312.391	2.319	1	6	5	CCOC(=O)c1csc(NC(=O)[C@H]2CCO[C@H]2C(C)C)n1
214185128	ZINC000278486543	ref	7.01	-10.66	0	303.406	2.433	1	2	3	CC(C)[C@H]1CN(C(=O)N[C@H](C)C(=O)N(C)C)c2ccccc21
349534776	ZINC000621490583	ref	7.05	-11.47	0	284.359	3.102	2	2	5	C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccccc1
342595729	ZINC000616967422	ref	3.41	-19.57	0	295.342	1.342	2	3	2	O=C(N[C@@H]1CCNC1=O)c1c2c(nc3ccccc13)CCC2
214185131	ZINC000278486369	ref	5.04	-6.69	0	315.211	2.76	1	4	6	Cc1ccnc(NCCCO[C@@H]2CCOC2)c1Br
214185136	ZINC000278486369	low	5.4	-34.66	1	315.211	2.76	1	3	6	Cc1cc[nH+]c(NCCCO[C@@H]2CCOC2)c1Br
214185141	ZINC000278486652	ref	1.22	-13.23	0	313.35	1.656	2	6	9	COC[C@H](C)OC[C@H](O)COc1ccc(NC(=O)OC)cc1
214185145	ZINC000278486131	ref	4.83	-9.77	0	307.39	2.178	1	4	6	COc1ccc(OC)c(CCC(=O)N[C@@H]2CCOC[C@H]2C)c1
432002740	ZINC000129236856	ref	6.99	-7.72	0	302.484	3.008	0	2	4	CC(C)C[C@@H]1CCCCN1S(=O)(=O)N1CCCCCC1
365634715	ZINC000625070690	ref	7.74	-43.81	1	320.433	2.369	1	4	7	Cc1cccc(C)c1NC(=O)CN(C)CCOC1CCOCC1
398249072	ZINC000651462442	mid	5.79	-52.39	1	278.302	3.292	1	2	4	CCc1ncc(C[NH2+][C@@H]2CCc3c(F)cc(F)cc32)o1
178301944	ZINC000237189747	ref	6.63	-54.37	1	370.291	1.769	2	2	8	C[NH2+]C[C@@H](C)C(=O)NCCC(=O)N(C)Cc1ccccc1Br
282122500	ZINC000329743833	ref	5.47	-50.19	1	307.398	0.443	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCc3nc[nH]c3C2)CCO1
192037636	ZINC000273073890	ref	5.17	-50.27	1	280.755	1.369	2	2	3	O=C(NC[C@@H]1CC[NH2+]C1)[C@@H]1Cc2cc(Cl)ccc2O1
282122502	ZINC000329743833	mid	5.48	-51.17	1	307.398	0.443	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCc3[nH]cnc3C2)CCO1
282122504	ZINC000339989085	ref	2.44	-39.33	1	326.422	-0.409	2	5	5	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCc2cscn2)CCO1
365634721	ZINC000625070690	mid	7.73	-43.86	1	320.433	2.369	2	3	7	Cc1cccc(C)c1NC(=O)C[N@H+](C)CCOC1CCOCC1
178301947	ZINC000237200006	ref	4.56	-49.7	1	373.906	1.662	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C1
342595730	ZINC000616963538	ref	4.89	-19.45	0	282.343	1.948	2	2	3	C[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccc2ccccc2c1
365634725	ZINC000625070690	mid	7.74	-43.81	1	320.433	2.369	2	3	7	Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCOC1CCOCC1
342595731	ZINC000616964309	ref	0.75	-18.91	0	250.279	1.113	2	4	2	O=C(N[C@H]1CCNC1=O)c1cc2occc2s1
365634729	ZINC000625073631	ref	5.53	-11.63	0	309.329	2.198	1	6	5	O=C(NCc1cc(-c2ccccc2)on1)c1cn(C2CC2)nn1
398249078	ZINC000651463702	ref	7.45	-37.95	1	262.397	3.163	1	2	6	CO[C@H](C1CC1)[C@@H](C)[NH2+][C@H](C)c1ccc(C)nc1C
398249083	ZINC000651463702	high	6.6	-3.86	0	262.397	3.163	1	3	6	CO[C@H](C1CC1)[C@@H](C)N[C@H](C)c1ccc(C)nc1C
178301952	ZINC000237178128	ref	7.56	-53.73	1	353.422	1.807	2	3	5	CN(C)C(=O)COc1ccc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1
323004519	ZINC000322227641	ref	4.61	-43.25	1	220.316	2.224	1	2	5	COc1cc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C)ccn1
342595732	ZINC000616963503	ref	3.87	-18.35	0	258.321	1.403	2	2	4	Cc1ccc(/C=C\CC(=O)N[C@H]2CCNC2=O)cc1
342595733	ZINC000616963905	ref	2.71	-19.46	0	276.336	1.193	2	3	5	COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCNC1=O
342595734	ZINC000616964002	ref	3.36	-17.94	0	264.3	1.324	2	2	4	C[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1F
214185132	ZINC000293583237	ref	8.55	-17.82	0	357.37	0.434	1	7	2	COC(=O)c1ccc2c(c1)CN(C(=O)C(=O)Nc1nc(C)n(C)n1)CC2
214185138	ZINC000293573366	ref	2.76	-16.96	0	361.489	0.884	0	6	6	COCCCS(=O)(=O)N1CCN(C(=O)c2c(C)nsc2C)CC1
214185144	ZINC000293571618	ref	6.51	-51.71	1	371.437	0.961	3	5	6	COC(=O)c1ccc(C(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)n1C
342078992	ZINC000625299848	ref	-0.64	-11.08	0	259.256	1.436	2	3	3	C[N@@H+]1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1
192037637	ZINC000273073669	ref	4.64	-16.28	0	285.347	2.635	3	3	5	Cc1ccc(NC(=O)NCC[C@@H](O)c2ccccc2)nc1
214185150	ZINC000293571618	mid	6.48	-51.92	1	371.437	0.961	3	5	6	COC(=O)c1ccc(C(=O)NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)n1C
365634713	ZINC000336550769	ref	6.19	-7.83	0	289.36	2.314	0	5	2	C[C@@H]1CSCCN1C(=O)c1cc(-c2ccccn2)no1
214185153	ZINC000293571618	high	4.3	-11.62	0	371.437	0.961	2	6	6	COC(=O)c1ccc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)n1C
342078993	ZINC000625299848	mid	2.26	-48.09	1	259.256	1.436	2	3	3	C[N@H+]1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1
178301946	ZINC000082797358	ref	1.17	-14.47	0	264.416	1.044	1	5	7	CN[C@@](C)(C#N)C[C@H](C)SCCS(C)(=O)=O
342078994	ZINC000625299848	mid	-0.64	-11.08	0	259.256	1.436	1	4	3	CN1CCC[C@H](NC(=O)c2ocnc2C(F)F)C1
214185157	ZINC000293578739	ref	6.0	-17.53	0	369.349	0.11	1	7	5	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)C1
342078995	ZINC000067635221	ref	6.28	-39.63	1	295.427	1.091	2	2	4	CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1
214185164	ZINC000293573933	ref	8.24	-19.58	0	351.403	0.452	0	7	7	CCOC(=O)[C@@]1(COC)CCCN(C(=O)CCn2cnccc2=O)C1
214185168	ZINC000293578591	ref	3.95	-18.08	0	362.415	0.57	1	8	5	COC[C@H]1CCN1C(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1
342078996	ZINC000067635221	mid	6.23	-40.12	1	295.427	1.091	2	2	4	CC(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1
342078997	ZINC000625298121	ref	1.0	-36.4	1	259.39	1.137	4	3	10	CCCC[N@H+](CCCO)C[C@@H](O)CC1(O)CCC1
178301955	ZINC000082797357	ref	1.17	-16.21	0	264.416	1.044	1	5	7	CN[C@](C)(C#N)C[C@@H](C)SCCS(C)(=O)=O
342078998	ZINC000625298121	mid	0.99	-36.35	1	259.39	1.137	4	3	10	CCCC[N@@H+](CCCO)C[C@@H](O)CC1(O)CCC1
168364828	ZINC000054834471	ref	-1.59	-49.52	1	194.238	-0.606	2	3	4	C[C@@H]([NH3+])Cc1ccnc(CC(N)=O)n1
178305877	ZINC000062949152	ref	8.45	-48.81	1	243.354	2.966	1	2	1	Cc1cc2ncn([C@@H]3CC[C@@H](C)[NH2+]C3)c2cc1C
342595735	ZINC000616963953	ref	3.74	-16.26	0	260.337	1.26	2	2	4	CC(C)(Cc1ccccc1)C(=O)N[C@H]1CCNC1=O
342595736	ZINC000616963707	ref	3.54	-21.94	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F
342595737	ZINC000616963701	ref	4.03	-16.38	0	266.385	1.988	2	2	5	CC[C@H](CC1CCCCC1)C(=O)N[C@@H]1CCNC1=O
365634716	ZINC000617426781	ref	5.77	-20.84	0	291.355	0.803	1	5	3	C[C@@H]1C[C@@H](NC(=O)CN2CCCCCC2=O)c2ncnn21
365634720	ZINC000617427343	ref	3.65	-16.51	0	279.344	0.561	2	5	4	CC(=O)N[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)C(C)C
201705193	ZINC000225417772	ref	9.49	-8.01	0	322.424	4.005	0	3	4	C[C@@H](CCc1cccc(F)c1)N1CCCN1C(=O)OC(C)(C)C
365634723	ZINC000617426140	ref	3.13	-16.51	0	258.285	0.812	1	6	2	Cc1nccnc1C(=O)N[C@H]1C[C@H](C)n2ncnc21
214185149	ZINC000278485351	ref	10.01	-40.1	1	308.516	3.4	2	3	5	c1cc(C[NH+]2CCSCC2)cc(NC[C@@H]2CCSC2)c1
365634727	ZINC000617430436	ref	3.35	-21.34	0	283.295	0.985	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2ccc3n[nH]nc3c2)c2ncnn21
192037640	ZINC000273073464	ref	4.29	-46.59	1	265.744	1.86	2	3	6	OC[C@H]([NH2+]CCn1cccn1)c1ccc(Cl)cc1
342595738	ZINC000616963735	ref	3.06	-17.91	0	264.3	1.108	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1ccc(F)cc1
197592989	ZINC000162808474	ref	5.17	-8.14	0	313.394	2.37	1	3	4	Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCO[C@H](C2CC2)C1
365634731	ZINC000617430436	mid	3.25	-24.45	0	283.295	0.985	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]nnc3c2)c2ncnn21
342595739	ZINC000616963550	ref	3.27	-18.5	0	262.284	1.234	2	2	4	O=C(C/C=C\c1cccc(F)c1)N[C@@H]1CCNC1=O
342595740	ZINC000616963445	ref	4.15	-18.4	0	272.348	1.186	2	2	2	C[C@]1(C(=O)N[C@@H]2CCNC2=O)CCc2ccccc2C1
342595741	ZINC000616964001	ref	3.36	-17.89	0	264.3	1.324	2	2	4	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1F
197592998	ZINC000162810299	ref	4.31	-16.04	0	308.14	1.688	0	3	3	CN(C)C(=O)CN(C)C(=O)c1cc(F)c(Cl)nc1Cl
365634733	ZINC000617430436	high	3.34	-52.41	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@@H](NC(=O)c2ccc3n[n-]nc3c2)c2ncnn21
282123637	ZINC000512823637	ref	3.9	-10.0	0	284.444	3.053	3	2	6	CCC(CC)(CO)CNC(=O)N[C@H]1CCCCC1(C)C
365634737	ZINC000617425556	ref	4.56	-19.0	0	299.334	0.83	2	5	4	C[C@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2)c2ncnn21
133428421	ZINC000306491618	ref	4.11	-6.57	0	189.205	1.58	1	1	3	C=C(C)CNC(=O)[C@H]1[C@@H](C)C1(F)F
365634741	ZINC000617424830	ref	3.8	-16.83	0	258.285	0.812	1	6	2	Cc1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)nn1
282122501	ZINC000289590195	ref	6.37	-21.75	0	316.369	0.579	2	7	3	Cc1nc2n(n1)C[C@H](NC(=O)Nc1cc(N(C)C)ncn1)CC2
282122503	ZINC000262903008	ref	3.95	-45.27	1	291.399	0.925	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])CC2
282123638	ZINC000341234428	ref	7.41	-43.88	1	309.454	1.927	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCO1
178301954	ZINC000237178128	mid	6.16	-17.33	0	353.422	1.807	2	4	5	CN(C)C(=O)COc1ccc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc1
178301957	ZINC000237198108	ref	4.97	-61.0	1	366.465	1.714	2	3	5	CN1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)CC1
192037641	ZINC000273073464	high	3.09	-7.49	0	265.744	1.86	2	4	6	OC[C@H](NCCn1cccn1)c1ccc(Cl)cc1
398249075	ZINC000649443082	ref	3.15	-41.55	1	219.284	1.434	2	2	4	OCCOc1ccccc1C1=CC[NH2+]CC1
365634717	ZINC000336550948	ref	6.53	-11.58	0	285.343	2.268	0	3	3	COc1cccc(C2=CCN(C(=O)C3=CCOCC3)C2)c1
365634719	ZINC000336551816	ref	7.75	-12.24	0	287.359	2.425	0	3	2	CC1=C[C@@H](C)CN(C(=O)Cc2ccc3c(c2)OCCO3)C1
178301959	ZINC000237198108	mid	7.33	-103.79	2	366.465	1.714	3	2	5	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)c3ccc(C[NH3+])cc3)c2)CC1
365634726	ZINC000336551557	ref	7.58	-9.11	0	291.326	2.1	0	5	2	COC(=O)[C@@H]1CCN(c2nc3cccc(F)c3n2C)[C@H]1C
365634730	ZINC000336551557	low	7.98	-30.26	1	291.326	2.1	0	4	2	COC(=O)[C@@H]1CCN(c2[nH+]c3cccc(F)c3n2C)[C@H]1C
365634732	ZINC000336551546	ref	4.56	-13.48	0	269.226	2.024	1	3	2	N#Cc1cc(C(=O)NC2CC(C(F)(F)F)C2)ccn1
282123648	ZINC000341234428	high	4.86	-8.41	0	309.454	1.927	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CCO1
178301962	ZINC000237193230	ref	2.95	-56.02	1	369.429	1.971	2	7	4	Cc1c(C(=O)Nc2ccc3oc(N(C)C)nc3c2)nnn1C1CC[NH2+]CC1
365634735	ZINC000336551642	ref	2.8	-22.71	0	261.325	2.386	1	3	3	CN(C(=O)[C@H]1CCC[C@@H](C(N)=O)C1)c1cccnc1
168364829	ZINC000122611292	ref	6.24	-5.28	0	207.321	2.942	1	3	5	CCC(CC)CNc1cc(C)nc(C)n1
365634738	ZINC000336551674	ref	5.02	-21.43	0	288.457	2.221	1	2	3	C[C@H](C[S@@](C)=O)NC(=O)N1CC(C)(C)CC(C)(C)C1
365634742	ZINC000336551534	ref	5.74	-49.85	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)CC1
365634743	ZINC000336551534	mid	6.28	-50.6	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@H+]2CCC[C@H]3CCC[C@@H]32)CC1
365634747	ZINC000336551534	high	4.42	-9.94	0	271.426	2.076	0	3	2	O=S1(=O)CCC(CN2CCC[C@H]3CCC[C@@H]32)CC1
349534772	ZINC000618812966	ref	6.92	-21.03	0	272.352	1.967	0	4	5	CC[C@@H](C(=O)N(C)Cc1cn(C)nn1)c1ccccc1
365634734	ZINC000625070484	ref	6.84	-10.06	0	318.425	2.33	1	6	7	CCN(C[C@H]1CCCO1)c1nnc(-c2cn[nH]c2)n1CC(C)C
343994984	ZINC000004730316	ref	8.39	-17.15	0	232.243	1.94	1	5	4	Cn1cnc([N+](=O)[O-])c1NCc1ccccc1
282122505	ZINC000339989085	high	-0.1	-8.32	0	326.422	-0.409	1	6	5	CN(C)C[C@@H]1CN(C(=O)C(=O)NCCc2cscn2)CCO1
282122506	ZINC000410528262	ref	3.84	-41.36	1	311.382	-0.835	1	4	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)CCO1
365634739	ZINC000625070618	ref	5.86	-10.99	0	318.425	2.187	1	6	7	CCOC[C@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)C1
365634744	ZINC000625073794	ref	5.48	-11.36	0	311.394	2.108	0	3	7	CCO[C@H](CS(=O)(=O)N1CCC(C(F)F)CC1)C1CC1
365634748	ZINC000625074649	ref	6.83	-43.51	1	307.39	2.433	1	4	7	CC[N@H+](CCOC1CCOCC1)Cc1ccc2c(c1)OCO2
365634752	ZINC000625074649	mid	6.82	-43.38	1	307.39	2.433	1	4	7	CC[N@@H+](CCOC1CCOCC1)Cc1ccc2c(c1)OCO2
365634755	ZINC000625074649	high	4.93	-6.08	0	307.39	2.433	0	5	7	CCN(CCOC1CCOCC1)Cc1ccc2c(c1)OCO2
365634760	ZINC000625071750	ref	2.18	-11.08	0	319.373	2.103	2	3	4	Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2CO)c(F)c1F
365634764	ZINC000625071750	high	2.06	-45.76	-1	319.373	2.103	1	3	4	Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CO)c(F)c1F
365634766	ZINC000625073598	ref	6.55	-10.71	0	318.425	2.326	1	6	4	CC(C)Cn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)O[C@H](C)[C@H]1C
349534777	ZINC000618814067	ref	6.68	-18.93	0	264.373	1.99	0	4	4	C[C@@H]1CCCC[C@H]1CC(=O)N(C)Cc1cn(C)nn1
365634771	ZINC000625073894	ref	6.77	-11.56	0	322.434	2.24	1	7	5	CC(C)Cn1c(-c2ccc(CO)o2)nnc1N1CCSCC1
365634776	ZINC000625075032	ref	4.95	-5.39	0	309.381	2.395	0	4	5	Fc1ccc([C@@H]2CN(CCOC3CCOCC3)CCO2)cc1
365634778	ZINC000625075032	low	7.29	-41.45	1	309.381	2.395	1	3	5	Fc1ccc([C@@H]2C[N@H+](CCOC3CCOCC3)CCO2)cc1
365634782	ZINC000625075032	low	6.84	-42.13	1	309.381	2.395	1	3	5	Fc1ccc([C@@H]2C[N@@H+](CCOC3CCOCC3)CCO2)cc1
365634784	ZINC000625071752	ref	1.75	-10.27	0	319.373	2.103	2	3	4	Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2CO)c(F)c1F
365634787	ZINC000625071752	high	2.06	-46.0	-1	319.373	2.103	1	3	4	Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CO)c(F)c1F
365634791	ZINC000625072772	ref	5.85	-17.16	0	319.449	2.282	2	3	7	CCc1ccccc1NC(=O)CN(C)CC(=O)NCC(C)(C)C
214185152	ZINC000278485351	high	7.7	-5.22	0	308.516	3.4	1	4	5	c1cc(CN2CCSCC2)cc(NC[C@@H]2CCSC2)c1
365634745	ZINC000617426270	ref	6.2	-18.06	0	260.301	0.93	1	6	3	CCn1cnc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1
365634749	ZINC000617424935	ref	2.21	-27.09	0	279.344	0.548	2	5	5	CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365634754	ZINC000617425918	ref	4.2	-27.34	0	284.283	0.152	1	8	2	C[C@@H]1C[C@@H](NC(=O)c2ccn3nnnc3c2)c2ncnn21
342078999	ZINC000608857080	ref	-0.3	-15.14	0	287.366	1.173	1	6	5	CSCCNS(=O)(=O)c1cnc2onc(C)c2c1
214185158	ZINC000278484971	ref	3.72	-51.92	1	307.419	1.451	3	3	5	NC(=O)c1csc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1
214185163	ZINC000278485617	ref	3.63	-14.24	0	311.349	1.698	3	5	4	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3cnc(C)[nH]3)n2)c1
342079000	ZINC000608857687	ref	2.19	-15.25	0	290.291	1.554	1	4	5	COc1cc(F)c(S(=O)(=O)N[C@@H](C)CC#N)c(F)c1
342079001	ZINC000608857687	mid	2.08	-46.48	-1	290.291	1.554	0	4	5	COc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CC#N)c(F)c1
178301970	ZINC000082797132	ref	3.68	-10.96	0	256.4	2.301	1	6	6	CCN[C@](C)(C#N)C[C@H](C)Sc1nncs1
282122507	ZINC000410528262	high	1.29	-9.78	0	311.382	-0.835	0	5	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H](C2)O3)CCO1
365634757	ZINC000617424831	ref	3.81	-16.62	0	258.285	0.812	1	6	2	Cc1ccc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)nn1
214185165	ZINC000278485617	low	4.09	-38.97	1	311.349	1.698	3	4	4	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)c3c[nH+]c(C)[nH]3)n2)c1
214185170	ZINC000278484896	ref	6.68	-13.22	0	317.37	2.424	0	7	6	COC[C@H](OC(=O)Cn1ncc2ccccc21)c1nccs1
214185173	ZINC000278485839	ref	6.45	-9.81	0	318.417	2.983	1	3	4	Cc1ccc(NC(=O)[C@@]2(C)CCCO2)cc1C(=O)N(C)C(C)C
214185177	ZINC000278486087	ref	4.86	-42.88	1	301.386	2.886	2	3	6	Cc1ccc(-c2ccc(C[NH2+][C@]3(CCO)CCOC3)o2)cc1
214185180	ZINC000278486087	mid	3.94	-7.74	0	301.386	2.886	2	4	6	Cc1ccc(-c2ccc(CN[C@]3(CCO)CCOC3)o2)cc1
214185186	ZINC000278484811	ref	8.23	-46.64	1	301.434	2.716	3	1	6	C[C@@H](CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1
342079002	ZINC000625299981	ref	4.23	-45.91	1	271.386	1.8	2	3	6	O=S(=O)(CCC1CCCCC1)NCc1c[nH]cn1
342079003	ZINC000625299981	mid	4.21	-46.13	1	271.386	1.8	2	3	6	O=S(=O)(CCC1CCCCC1)NCc1cnc[nH]1
342079004	ZINC000625299981	low	4.23	-45.91	1	271.386	1.8	2	2	6	O=S(=O)(CCC1CCCCC1)NCc1c[nH+]c[nH]1
342079005	ZINC000625299981	low	4.21	-46.13	1	271.386	1.8	2	2	6	O=S(=O)(CCC1CCCCC1)NCc1c[nH]c[nH+]1
365634746	ZINC000576592747	ref	6.27	-8.13	0	231.267	1.29	0	3	4	CCOC(=O)CCC(=O)N1CCC[C@@H](F)C1
178301964	ZINC000237185339	ref	4.25	-51.35	1	359.474	1.642	2	5	6	COc1nn(C)c2nc(C)c(CCC(=O)NC[C@@H]3CCC[NH2+]C3)c(C)c12
178301968	ZINC000237194958	ref	5.16	-13.83	0	352.438	1.838	2	4	4	CN1CCN(C(=O)Cc2ccc(NC(=O)c3ccccc3N)cc2)CC1
192037648	ZINC000418429133	high	4.74	-9.77	0	247.342	1.904	2	2	6	C=CCCN(C)C(=O)NC[C@@H](N)c1ccccc1
432002741	ZINC000129207462	ref	9.68	-41.75	1	321.424	3.045	2	3	6	N#Cc1cccc(CNc2ccc(CC[NH+]3CCOCC3)cc2)c1
178301971	ZINC000237194958	mid	7.5	-51.56	1	352.438	1.838	3	3	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3ccccc3N)cc2)CC1
365634759	ZINC000576595664	ref	6.26	-10.9	0	248.286	1.388	0	5	4	COc1ccnc(N(C)C(=O)CC(C)(C)C#N)n1
365634763	ZINC000576595930	ref	7.47	-12.3	0	248.33	1.596	1	3	6	CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1c[nH]cn1
178301972	ZINC000237188671	ref	6.12	-63.86	1	372.469	1.752	3	4	6	CCn1c(=O)c(=O)[nH]c2cc(C(=O)NCC[NH2+]C3CCCCCC3)ccc21
365634769	ZINC000576595930	mid	6.83	-12.74	0	248.33	1.596	1	3	6	CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1cnc[nH]1
365634770	ZINC000576595930	low	7.34	-43.97	1	248.33	1.596	1	2	6	CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1c[nH+]c[nH]1
178301976	ZINC000237191251	ref	6.39	-53.38	1	364.534	1.169	1	3	5	CN1CCN(C(=O)CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1
178301978	ZINC000237191251	mid	8.74	-97.37	2	364.534	1.169	2	2	5	C[NH+]1CCN(C(=O)CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1
178301981	ZINC000237192499	ref	7.76	-45.88	1	354.406	1.569	2	4	6	COC(=O)COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1
178301985	ZINC000237192499	mid	6.38	-14.68	0	354.406	1.569	2	5	6	COC(=O)COc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1
365634774	ZINC000576595930	low	7.33	-43.92	1	248.33	1.596	1	2	6	CCN(C[C@@H](C)C#N)C(=O)[C@H](C)Cc1c[nH]c[nH+]1
432002744	ZINC000129207462	mid	7.27	-7.83	0	321.424	3.045	1	4	6	N#Cc1cccc(CNc2ccc(CCN3CCOCC3)cc2)c1
178301987	ZINC000237185484	ref	6.25	-46.52	1	360.502	1.968	3	2	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](NC(=O)NCc2ccccc2)C(C)C)C1
259308293	ZINC000019230053	ref	3.95	-39.72	1	210.708	1.745	1	1	2	Clc1cccc(CN2CC[NH2+]CC2)c1
365634794	ZINC000576597201	ref	-0.28	-12.47	0	229.32	0.672	3	3	5	CC(C)[C@H](NC(=O)CO)C1(CO)CCCC1
214185154	ZINC000337620945	mid	1.13	-52.24	1	253.327	0.282	3	3	5	NC(=O)c1csc(C(=O)NCC[NH+]2CCC2)c1
342079006	ZINC000625298996	ref	3.25	-17.48	0	293.348	1.213	2	4	4	O=S(=O)(NCc1c[nH]cn1)c1cccc2c1OCCC2
214185156	ZINC000337621199	ref	4.57	-22.98	0	299.4	0.741	2	5	6	Cc1cc(N(C)C)nc(NC(=O)NCCC[S@](C)=O)n1
214185160	ZINC000337623069	ref	3.7	-8.74	0	276.308	3.03	2	3	4	O=C(Nc1ccsc1)N[C@H]1CCC[C@H]1OC(F)F
342079007	ZINC000625298996	mid	3.22	-15.1	0	293.348	1.213	2	4	4	O=S(=O)(NCc1cnc[nH]1)c1cccc2c1OCCC2
343993943	ZINC000079911194	mid	8.91	-39.36	1	291.395	2.035	1	3	4	CC(C)Oc1cccnc1C(=O)N(C)[C@H]1CCC[N@@H+](C)C1
214185161	ZINC000337623434	ref	5.19	-8.55	0	271.349	2.132	1	6	3	Cc1nc(CNc2ncnc3ccncc23)sc1C
365634750	ZINC000336551575	ref	9.77	-96.46	2	277.412	2.455	2	2	3	Cc1noc(C)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1
214185166	ZINC000337623922	ref	8.14	-8.08	0	283.253	3.298	2	2	2	Cc1ccc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1C
398249082	ZINC000649443070	ref	6.5	-4.65	0	232.348	3.86	1	2	4	CCCc1ccccc1-c1csc(CO)c1
214185169	ZINC000337623922	mid	8.07	-7.06	0	283.253	3.298	2	2	2	Cc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1C
214185171	ZINC000337621180	ref	8.13	-8.15	0	273.376	3.106	1	2	6	CC[C@H]1C[C@@]1(NC(=O)CCC(C)=O)c1cccc(C)c1
214185175	ZINC000337623463	ref	0.62	-42.01	1	254.334	-0.388	2	3	4	CC1(C)NC(=O)N(CCCN2CC[NH2+]CC2)C1=O
214185179	ZINC000337624185	ref	5.88	-6.86	0	268.307	3.153	2	1	4	Cc1ccccc1[C@@H](C)NC(=O)NC1(C(F)F)CC1
192037649	ZINC000418429707	ref	1.89	-36.3	1	213.325	1.233	3	1	6	C=C[C@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C
214185187	ZINC000337623322	ref	2.25	-51.71	-1	251.29	0.118	1	5	3	C[C@@H]1C[C@@H](C)[C@H](C(=O)NC2(c3nnn[n-]3)CC2)O1
214185188	ZINC000337623322	mid	2.21	-51.67	-1	251.29	0.118	1	5	3	C[C@@H]1C[C@@H](C)[C@H](C(=O)NC2(c3nn[n-]n3)CC2)O1
214185191	ZINC000337623322	mid	2.23	-15.6	0	251.29	0.118	2	5	3	C[C@@H]1C[C@@H](C)[C@H](C(=O)NC2(c3nn[nH]n3)CC2)O1
214185194	ZINC000337623253	ref	-1.13	-10.65	0	282.3	0.14	3	5	5	C[C@H](NC(=O)NCc1cc(C(N)=O)no1)[C@@H]1CCCO1
342079008	ZINC000625298996	low	3.73	-45.46	1	293.348	1.213	2	3	4	O=S(=O)(NCc1c[nH+]c[nH]1)c1cccc2c1OCCC2
342079009	ZINC000625298996	low	3.72	-45.47	1	293.348	1.213	2	3	4	O=S(=O)(NCc1c[nH]c[nH+]1)c1cccc2c1OCCC2
342079010	ZINC000625300689	ref	3.65	-18.44	0	283.328	1.211	2	3	6	O=S(=O)(CCc1ccc(F)cc1)NCc1c[nH]cn1
398249085	ZINC000209080453	ref	5.29	-12.25	0	245.278	2.529	1	3	3	C/C=C/C=C\C(=O)Nc1ccc2c(c1)OCCO2
365634753	ZINC000336551575	mid	9.64	-96.66	2	277.412	2.455	2	2	3	Cc1noc(C)c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1
365634756	ZINC000336551575	high	7.36	-39.4	1	277.412	2.455	1	3	3	Cc1noc(C)c1CN1CC[C@H](C2CC[NH+](C)CC2)C1
365634758	ZINC000336551643	ref	2.64	-15.53	0	261.325	2.386	1	3	3	CN(C(=O)[C@H]1CCC[C@H](C(N)=O)C1)c1cccnc1
365634762	ZINC000336551613	ref	2.02	-16.25	0	250.258	2.486	2	5	3	CCc1oncc1NC(=O)Nc1nc(C)c(C)o1
365634765	ZINC000336551114	ref	4.23	-9.87	0	269.366	2.396	0	4	3	COc1csc(C(=O)N2CC[C@@H](OC)C[C@H]2C)c1
365634768	ZINC000336551765	ref	8.93	-10.75	0	255.321	2.373	0	3	1	CC1=C[C@@H](C)CN(C(=O)c2cn3ccccc3n2)C1
365634773	ZINC000336551193	ref	5.4	-9.22	0	282.39	2.237	1	4	3	O=C1N[C@H](c2cccs2)C(=O)N1C[C@H]1CCCS1
365634775	ZINC000336551536	ref	6.39	-49.96	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@@H+]2CCC[C@H]3CCC[C@H]32)CC1
398249090	ZINC000053097446	ref	5.27	-33.33	1	244.338	2.343	2	2	4	N#Cc1ccccc1C[NH2+]C1(CO)CCCCC1
365634779	ZINC000336551536	mid	6.06	-51.25	1	271.426	2.076	1	2	2	O=S1(=O)CCC(C[N@H+]2CCC[C@H]3CCC[C@H]32)CC1
365634783	ZINC000336551536	high	4.43	-9.89	0	271.426	2.076	0	3	2	O=S1(=O)CCC(CN2CCC[C@H]3CCC[C@H]32)CC1
365634785	ZINC000336550784	ref	6.15	-9.04	0	281.396	2.363	0	3	3	C[C@@H]1CN(C(=O)CCC2CCCC2)C[C@]2(CCOC2)O1
365634789	ZINC000336551754	ref	6.71	-42.88	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)ccn1
365634790	ZINC000336551754	mid	7.35	-42.9	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)ccn1
365634793	ZINC000336551754	mid	5.09	-7.61	0	273.38	2.089	0	3	1	Cc1cc(C(=O)N2C[C@H]3CCCCN3C[C@@H]2C)ccn1
365634796	ZINC000336551048	ref	6.16	-17.43	0	250.346	2.15	1	2	2	CC[C@H]1CCN(C(=O)N=c2ccn(C(C)C)[nH]2)C1
178301974	ZINC000051848044	ref	3.18	-45.5	1	244.342	1.585	2	2	2	Cc1cc2nc(CN3CC[NH2+]CC3)[nH]c2cc1C
365634798	ZINC000336551367	ref	6.01	-9.11	0	293.392	2.099	1	4	1	Cc1nc(NC(=O)C(=O)N2CC[C@H]3CCC[C@H]32)sc1C
365634807	ZINC000336551000	ref	3.89	-7.96	0	292.354	2.185	1	3	3	Cc1ccc(NC(=O)CN2CC[C@]3(CCOC3)C2)c(F)c1
168366104	ZINC000076591593	high	1.89	-11.16	0	156.189	-1.071	1	5	2	C[C@@H](N)Cn1ncn(C)c1=O
365634809	ZINC000336551000	mid	6.5	-42.59	1	292.354	2.185	2	2	3	Cc1ccc(NC(=O)C[N@@H+]2CC[C@]3(CCOC3)C2)c(F)c1
365634812	ZINC000336551000	mid	6.53	-42.62	1	292.354	2.185	2	2	3	Cc1ccc(NC(=O)C[N@H+]2CC[C@]3(CCOC3)C2)c(F)c1
365634761	ZINC000617431076	ref	4.13	-25.74	0	293.371	0.952	2	5	4	C[C@@H]1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)c2ncnn21
365634767	ZINC000617431074	ref	4.13	-26.62	0	293.371	0.952	2	5	4	C[C@H]1C[C@H](NC(=O)CCNC(=O)C(C)(C)C)c2ncnn21
365634772	ZINC000617425407	ref	2.22	-18.11	0	250.302	0.561	2	5	2	C[C@@H]1C[C@H](NC(=O)C2CC(C)(O)C2)c2ncnn21
365634777	ZINC000617426367	ref	3.84	-13.64	0	294.355	0.984	1	6	4	CC(C)O[C@]1(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)CCOC1
365634781	ZINC000617425405	ref	4.79	-20.06	0	277.328	0.124	1	5	3	C[C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)N(C)C)c2ncnn21
365634786	ZINC000617429674	ref	4.98	-27.14	0	283.295	0.757	1	7	2	C[C@@H]1C[C@H](NC(=O)c2cnn3cccnc23)c2ncnn21
365634792	ZINC000617425575	ref	4.03	-17.07	0	250.302	0.561	2	5	3	C[C@@H]1C[C@H](NC(=O)[C@H](O)C2CCC2)c2ncnn21
365634797	ZINC000617428576	ref	3.5	-17.53	0	279.344	0.562	2	5	3	C[C@@H]1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c2ncnn21
365634801	ZINC000617430426	ref	3.35	-21.34	0	283.295	0.985	2	6	2	C[C@H]1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)c2ncnn21
365634803	ZINC000617430426	mid	3.25	-24.46	0	283.295	0.985	2	6	2	C[C@H]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)c2ncnn21
365634808	ZINC000617430426	high	3.34	-52.44	-1	283.295	0.985	1	6	2	C[C@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)c2ncnn21
197593000	ZINC000162801767	ref	6.97	-12.24	0	300.402	2.797	2	2	6	C=CC(=O)NCc1ccc(C(=O)N[C@H]2CCC[C@H]2CC)cc1
365634813	ZINC000617426267	ref	6.2	-18.27	0	260.301	0.93	1	6	3	CCn1cnc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1
365634819	ZINC000617427344	ref	3.64	-16.13	0	279.344	0.561	2	5	4	CC(=O)N[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)C(C)C
365634823	ZINC000617428574	ref	3.49	-17.15	0	279.344	0.562	2	5	3	C[C@H]1C[C@@H](NC(=O)CNC(=O)C(C)(C)C)c2ncnn21
365634829	ZINC000617425410	ref	2.22	-20.49	0	250.302	0.561	2	5	2	C[C@@H]1C[C@@H](NC(=O)C2CC(C)(O)C2)c2ncnn21
365634832	ZINC000617430427	ref	3.34	-20.66	0	283.295	0.985	2	6	2	C[C@@H]1C[C@H](NC(=O)c2ccc3n[nH]nc3c2)c2ncnn21
365634836	ZINC000617430427	mid	3.23	-23.58	0	283.295	0.985	2	6	2	C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]nnc3c2)c2ncnn21
365634840	ZINC000617430427	high	3.34	-52.26	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@H](NC(=O)c2ccc3n[n-]nc3c2)c2ncnn21
365634847	ZINC000617424934	ref	2.21	-26.25	0	279.344	0.548	2	5	5	CC(C)C[C@H](C(N)=O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365634853	ZINC000617426141	ref	3.13	-16.39	0	258.285	0.812	1	6	2	Cc1nccnc1C(=O)N[C@@H]1C[C@H](C)n2ncnc21
398249088	ZINC000651462495	ref	2.69	-7.39	0	265.382	3.243	1	5	6	CCCc1ncc(CN[C@H](C)c2cnc(C)s2)o1
214185162	ZINC000053492736	ref	4.56	-15.45	0	333.413	1.485	1	3	2	CNC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
214185167	ZINC000053480621	ref	1.98	-13.11	0	340.811	0.569	2	5	6	CN(CC(=O)NCC1(C(N)=O)CCOCC1)c1ccc(Cl)cn1
214185172	ZINC000053478252	ref	3.22	-21.07	0	330.388	0.923	3	3	3	Cc1cc(C(=O)N[C@H]2CCCCNC2=O)ccc1N1CCNC1=O
214185176	ZINC000053475274	ref	6.49	-10.07	0	326.396	2.838	2	3	5	CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCc2ccccc21
214185181	ZINC000053492524	ref	7.86	-16.87	0	339.439	3.213	2	2	6	C[C@@H](NC(=O)NCCCN1CCCC1=O)c1cccc2ccccc12
214185184	ZINC000053469113	ref	5.24	-24.04	0	330.363	1.236	2	4	6	N#Cc1c(F)cccc1NCCNC(=O)[C@H]1CC(=O)N(C2CC2)C1
365634795	ZINC000625073920	ref	5.56	-10.98	0	322.409	2.159	1	7	9	CCOCCN(C)c1nnc(-c2ccc(CO)o2)n1CC(C)C
214185193	ZINC000053485534	ref	9.0	-10.16	0	343.412	3.39	0	8	6	COc1cccc(-n2cnnc2S[C@@H](C)c2nc(C3CC3)no2)c1
343993944	ZINC000599269493	low	4.04	-38.84	1	290.367	1.96	2	5	5	Cc1nc([C@@H]2CCCC[N@H+]2C[C@@H](O)CC2(C#N)CC2)no1
214185198	ZINC000053468041	ref	3.98	-15.9	0	330.344	2.289	2	6	6	CC(C)Oc1ncccc1CNC(=O)c1ccc(N)c([N+](=O)[O-])c1
214185204	ZINC000053484471	ref	5.19	-11.53	0	328.85	2.524	0	6	2	Cc1csc(N2CCN(C(=O)c3scnc3Cl)CC2)n1
214185208	ZINC000053477983	ref	6.03	-25.28	0	343.358	2.495	2	3	5	CC(=O)Nc1ccc(F)c(C(=O)N(C)CC(=O)Nc2ccccc2)c1
214185226	ZINC000053473336	ref	9.85	-22.34	0	334.419	3.623	1	2	4	O=C(NC1(c2ccccc2)CCC1)c1cccc(N2CCCC2=O)c1
214185233	ZINC000053473047	ref	9.16	-20.74	0	348.402	3.149	1	3	4	O=C(NC1(c2ccccc2)CCC1)c1cccc(N2C(=O)CCC2=O)c1
214185238	ZINC000053478175	ref	6.34	-18.03	0	343.427	1.441	2	3	3	Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@@H]3CCCCNC3=O)C2=O)c1
214185241	ZINC000053475112	ref	8.88	-12.85	0	325.408	3.901	1	3	6	CCOc1ccc(C(=O)N[C@H]2CCc3ccccc32)cc1OCC
214185244	ZINC000053474882	ref	8.35	-16.33	0	345.374	2.442	0	4	4	Cc1noc(C)c1CN(C)C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O
214185249	ZINC000053480123	ref	5.56	-14.83	0	347.459	2.637	1	4	7	CCCCNC(=O)C1CCN(C(=O)c2ccc(OC(C)C)nc2)CC1
342595742	ZINC000616963382	ref	3.65	-20.96	0	296.754	1.34	2	3	4	Cc1cc(OCC(=O)N[C@@H]2CCNC2=O)cc(C)c1Cl
197593005	ZINC000162800062	ref	6.94	-10.14	0	309.366	3.23	2	4	8	CCCC[C@@H](COC)NC(=O)Nc1ccc([N+](=O)[O-])cc1C
365634799	ZINC000625072377	ref	1.83	-10.08	0	318.464	2.253	1	5	5	CC(C)c1csc(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)n1
342595743	ZINC000616963551	ref	3.47	-18.29	0	262.284	1.234	2	2	4	O=C(C/C=C/c1cccc(F)c1)N[C@@H]1CCNC1=O
299072207	ZINC000418191948	ref	6.49	-89.37	2	292.427	1.666	3	1	6	C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@H](c1ccccc1)[NH+](C)C
342595744	ZINC000616963383	ref	3.65	-20.98	0	296.754	1.34	2	3	4	Cc1cc(OCC(=O)N[C@H]2CCNC2=O)cc(C)c1Cl
214185174	ZINC000293575583	ref	3.68	-19.07	0	358.391	0.82	1	5	4	COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c(C)cc1F
214185178	ZINC000293585358	ref	4.28	-22.7	0	357.48	0.641	2	6	5	CN(C)c1ncc(CNC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1C
214185182	ZINC000293585358	mid	4.75	-40.06	1	357.48	0.641	2	5	5	CN(C)c1[nH+]cc(CNC(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)n1C
342595745	ZINC000616963677	ref	3.08	-18.86	0	264.3	1.108	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1cccc(F)c1
349534773	ZINC000093281069	high	1.8	-7.72	0	285.384	0.906	1	5	5	COC(=O)C(C)(C)[C@@H]1CCCN(CC2(CO)COC2)C1
190493668	ZINC000269432445	ref	4.67	-10.74	0	283.28	0.995	1	6	5	COC(=O)c1ccc(C(=O)NCC(C)(C)C(=O)OC)o1
214185185	ZINC000293585255	ref	0.75	-15.07	0	374.441	0.783	4	4	6	CC1(C)CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1
342595746	ZINC000616963443	ref	4.17	-18.93	0	272.348	1.186	2	2	2	C[C@]1(C(=O)N[C@H]2CCNC2=O)CCc2ccccc2C1
342595747	ZINC000616963984	ref	3.78	-15.41	0	258.321	1.031	2	2	3	Cc1ccccc1C1(C(=O)N[C@H]2CCNC2=O)CC1
214185190	ZINC000293573238	ref	-0.5	-20.51	0	372.472	0.758	1	6	5	Cc1c(S(=O)(=O)N(C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)cnn1C
214185196	ZINC000293582511	ref	4.17	-27.73	0	362.342	0.636	1	9	7	COCc1cc(NC(=O)Cn2cc(C(=O)OC)nn2)cc(C(=O)OC)c1
214185200	ZINC000293577919	ref	6.96	-17.34	0	367.356	0.725	1	7	5	Cn1cnn(CCC(=O)Nc2cc(F)c(F)cc2N2CCOCC2)c1=O
214185207	ZINC000293573745	ref	8.59	-25.4	0	353.423	0.8	0	7	4	C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)COCc1nncn1C
214185211	ZINC000293576548	ref	4.28	-20.14	0	361.354	0.378	2	8	7	COC(=O)[C@@H](NC(=O)CCn1cnccc1=O)c1ccc(OC)c(O)c1
178301973	ZINC000082797132	low	4.6	-47.09	1	256.4	2.301	1	5	6	CC[NH2+][C@](C)(C#N)C[C@H](C)Sc1nncs1
214185189	ZINC000278484811	mid	8.32	-47.3	1	301.434	2.716	3	1	6	C[C@@H](CC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1
178301975	ZINC000082798423	ref	4.07	-44.29	1	261.412	2.298	1	3	6	CC[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)c1cccs1
342079011	ZINC000625300689	mid	3.61	-17.48	0	283.328	1.211	2	3	6	O=S(=O)(CCc1ccc(F)cc1)NCc1cnc[nH]1
295666314	ZINC000193663910	ref	7.05	-19.39	0	316.401	1.834	1	3	4	O=C(NC[C@@H]1CCCOC1)[C@H]1CCCN1C(=O)c1ccccc1
230236668	ZINC000354970198	ref	2.34	-58.83	-1	278.33	-0.799	0	5	3	CN(C[C@H]1CCCN(C(=O)C(=O)[O-])C1)S(C)(=O)=O
230236676	ZINC000354951187	ref	-0.08	-19.97	0	291.373	-0.548	1	4	3	CNS(=O)(=O)C[C@H]1CCCN1C(=O)N1CCOCC1
282952178	ZINC000416847295	high	3.66	-36.71	1	338.521	2.702	3	3	9	CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccs1)N1CCCC1
342079012	ZINC000625300689	low	4.13	-47.96	1	283.328	1.211	2	2	6	O=S(=O)(CCc1ccc(F)cc1)NCc1c[nH+]c[nH]1
282952183	ZINC000418443454	ref	2.41	-88.78	2	270.421	1.193	4	1	7	CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(C)CCC[NH2+]C1
214185192	ZINC000278484811	high	5.69	-8.37	0	301.434	2.716	2	2	6	C[C@@H](CCN1CC[C@@H](NC(=O)NC2CC2)C1)c1ccccc1
214185195	ZINC000278485789	ref	9.68	-31.64	0	301.35	1.363	2	5	5	CC(=O)N[C@H](CC1CCC1)C(=O)Nc1nnc2ccccn12
214185197	ZINC000278486642	ref	9.51	-105.22	2	306.425	3.359	2	1	6	COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1F
178301983	ZINC000082797955	ref	4.37	-35.77	0	261.372	1.471	1	6	6	C[NH2+][C@](C)(C[C@@H](C)Sc1nncs1)C(=O)[O-]
192037650	ZINC000418464614	ref	1.62	-51.08	1	243.351	0.84	3	2	6	CCC[C@@]1(NC(=O)NC[C@H](C)C[NH3+])CCOC1
178305310	ZINC000237275718	high	1.62	-10.42	0	353.369	1.905	2	5	10	COCCNCCNC(=O)CCc1ncc(-c2ccc(F)cc2F)o1
192037651	ZINC000418431366	ref	3.76	-49.9	1	247.408	1.508	2	2	7	CCC([NH3+])(CC)CNC(=O)N(C)CCSC
214185210	ZINC000278485370	ref	8.36	-10.49	0	314.78	2.698	2	6	2	Cn1ncc2c(N)nc(N[C@@H]3CCc4c(Cl)cccc43)nc21
214185212	ZINC000278485370	low	8.71	-38.15	1	314.78	2.698	2	5	2	Cn1ncc2c(N)[nH+]c(N[C@@H]3CCc4c(Cl)cccc43)nc21
214185215	ZINC000278485394	ref	4.69	-13.26	0	317.32	2.847	3	5	5	O=[N+]([O-])c1ccc2c(c1NC[C@@H](O)c1cccc(F)c1)CCN2
214185219	ZINC000278486048	ref	8.49	-42.24	1	318.442	2.546	1	3	5	CS[C@H]1CCC[C@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1
214185221	ZINC000278484893	ref	6.68	-13.12	0	317.37	2.424	0	7	6	COC[C@@H](OC(=O)Cn1ncc2ccccc21)c1nccs1
365634800	ZINC000576594389	ref	5.19	-39.75	1	242.363	1.259	2	2	7	CNC(=O)CCC[N@@H+]1CC[C@H](OCC(C)C)C1
190493669	ZINC000269431374	ref	8.6	-43.15	1	285.391	2.1	1	2	3	Cc1cncc(/C=C/C(=O)N2CC[NH+](C3CCC3)CC2)c1
365634806	ZINC000576594389	mid	5.21	-40.09	1	242.363	1.259	2	2	7	CNC(=O)CCC[N@H+]1CC[C@H](OCC(C)C)C1
365634811	ZINC000576595485	ref	6.85	-33.08	1	212.337	1.583	1	1	4	CCN(C(=O)[C@H](C)[NH+]1CC(C)C1)C(C)C
365634816	ZINC000576595485	mid	3.91	-8.37	0	212.337	1.583	0	2	4	CCN(C(=O)[C@H](C)N1CC(C)C1)C(C)C
190493670	ZINC000269431374	mid	6.16	-8.61	0	285.391	2.1	0	3	3	Cc1cncc(/C=C/C(=O)N2CCN(C3CCC3)CC2)c1
349534774	ZINC000602430699	mid	7.19	-44.8	1	238.287	1.836	1	4	4	COC(=O)c1cc(C[N@@H+](C)C2CCCC2)on1
342595748	ZINC000616963863	ref	2.98	-22.19	0	290.367	1.086	2	4	3	Cn1cc(C(=O)N[C@@H]2CCNC2=O)c(C2CCCCC2)n1
349534778	ZINC000602430699	high	4.92	-6.01	0	238.287	1.836	0	5	4	COC(=O)c1cc(CN(C)C2CCCC2)on1
365634821	ZINC000576596053	ref	3.14	-17.34	0	246.27	0.949	2	4	4	C[C@H](C#N)CNC(=O)c1cc(=O)[nH]c(C2CC2)n1
365634824	ZINC000576596053	high	1.99	-44.02	-1	246.27	0.949	1	4	4	C[C@H](C#N)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1
342595749	ZINC000616963830	ref	4.98	-17.47	0	274.364	1.821	2	2	5	CC[C@H](C)[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
365634831	ZINC000576596307	ref	6.51	-11.8	0	248.326	2.283	1	3	4	Cc1noc(C)c1CC(=O)NC1(C2(C)CC2)CC1
365634838	ZINC000576594060	ref	2.22	-112.29	2	247.342	1.097	2	1	2	C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1
365634844	ZINC000576594396	ref	2.92	-36.53	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C
365634850	ZINC000576594396	mid	2.49	-37.22	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@H+]1CCN(C)[C@@H](C)[C@@H]1C
365634855	ZINC000576594396	mid	0.6	-8.97	0	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@H+](C)[C@@H](C)[C@@H]1C
342595750	ZINC000616963542	ref	4.89	-19.11	0	282.343	1.948	2	2	3	C[C@H](C(=O)N[C@H]1CCNC1=O)c1ccc2ccccc2c1
365634859	ZINC000576594396	mid	2.49	-37.22	1	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@@H+](C)[C@@H](C)[C@@H]1C
365634865	ZINC000576594396	high	0.6	-8.97	0	227.352	0.537	1	3	4	CNC(=O)CCCN1CCN(C)[C@@H](C)[C@@H]1C
192037652	ZINC000418463493	ref	1.32	-55.94	1	243.351	0.528	3	2	6	CCCN(CCO)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]
342595751	ZINC000616963393	ref	4.02	-16.6	0	296.367	1.559	2	3	5	C[C@@H](CSc1ccc(F)cc1)C(=O)N[C@H]1CCNC1=O
342595752	ZINC000616963540	ref	4.89	-19.15	0	282.343	1.948	2	2	3	C[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccc2ccccc2c1
365634873	ZINC000576598542	ref	4.15	-15.56	0	239.275	-0.368	0	6	3	COC[C@@H]1CN(c2cc(=O)n(C)cn2)CCO1
214185199	ZINC000337623881	ref	7.65	-13.21	0	291.351	2.08	1	4	5	CN(CCCC(=O)OC(C)(C)C)C(=O)c1ccc(C#N)[nH]1
343993945	ZINC000079911194	mid	6.53	-12.27	0	291.395	2.035	0	4	4	CC(C)Oc1cccnc1C(=O)N(C)[C@H]1CCCN(C)C1
365634802	ZINC000274358275	ref	2.29	-12.2	0	291.347	1.94	2	4	3	COc1ccc2c(c1)[C@@H](NC(=O)C1(O)CCCC1)CCO2
365634815	ZINC000274358624	ref	3.3	-11.36	0	288.307	1.463	2	5	5	CC(C)[C@@H](NC(=O)c1ccco1)C(=O)Nc1cncnc1
214185201	ZINC000337621312	ref	1.5	-55.88	-1	298.368	0.166	0	4	1	Cc1cc(=NC(=O)N2CC[C@H](S(C)(=O)=O)C2)[n-]nc1C
365634825	ZINC000274357271	ref	3.42	-10.86	0	278.356	1.737	2	4	1	CC(C)(C)[C@H]1CCN(C(=O)Nc2cncnc2)C[C@@H]1O
365634837	ZINC000274360527	ref	3.23	-10.82	0	296.392	1.269	0	5	4	O=C(c1ccsc1)N1CCN(CCC2OCCO2)CC1
343993947	ZINC000079918588	ref	4.88	-9.04	0	277.286	2.454	1	3	8	OCCCN(CCOCC(F)(F)F)c1ccccc1
343993949	ZINC000079917697	ref	9.76	-96.44	2	288.439	2.008	4	0	7	CCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCc1ccccc1
178301979	ZINC000051848292	ref	9.47	-49.89	-1	244.294	2.615	0	4	3	Cc1cc2nc(C3CC3)n(CC(=O)[O-])c2cc1C
214185203	ZINC000337621312	low	0.64	-21.32	0	298.368	0.166	1	4	1	Cc1cc(=NC(=O)N2CC[C@H](S(C)(=O)=O)C2)[nH]nc1C
214185206	ZINC000337620373	ref	2.98	-40.59	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12
178301982	ZINC000051848292	low	9.83	-35.36	0	244.294	2.615	0	3	3	Cc1cc2[nH+]c(C3CC3)n(CC(=O)[O-])c2cc1C
178301984	ZINC000038302893	ref	4.95	-39.0	-1	248.286	1.41	0	5	1	Cc1cc2nc(=O)n(C3CCCCC3)c(=O)n2[n-]1
178301986	ZINC000038302893	low	5.07	-17.25	0	248.286	1.41	1	5	1	Cc1cc2nc(=O)n(C3CCCCC3)c(=O)n2[nH]1
214185209	ZINC000337620373	mid	2.66	-42.89	1	285.388	0.575	3	3	7	COCCOCCNC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12
214185213	ZINC000337621273	ref	3.59	-15.07	0	287.283	0.832	1	9	5	CC(=O)c1c(C)oc2ncnc(NCCn3ncnn3)c12
214185214	ZINC000337621107	ref	7.04	-8.97	0	268.36	3.098	1	2	4	Cc1ccccc1C(C)(C)CNC(=O)c1ccccn1
214185220	ZINC000337623325	ref	2.69	-52.63	-1	251.29	0.118	1	5	3	C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC1(c2nnn[n-]2)CC1
214185222	ZINC000337623325	mid	2.67	-52.63	-1	251.29	0.118	1	5	3	C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC1(c2nn[n-]n2)CC1
214185223	ZINC000337623325	mid	2.69	-16.51	0	251.29	0.118	2	5	3	C[C@H]1C[C@@H](C)O[C@H]1C(=O)NC1(c2nn[nH]n2)CC1
214185225	ZINC000337623665	ref	2.72	-9.32	0	263.288	0.952	2	2	4	CCNC(=O)CNC(=O)N1CCCC[C@H]1C(F)F
178301988	ZINC000019750978	ref	6.35	-123.06	2	246.358	1.673	2	2	4	Cc1cc2nc(C[NH3+])n(CC[NH+](C)C)c2cc1C
282122508	ZINC000329743834	ref	5.48	-45.08	1	307.398	0.443	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)CCO1
282122509	ZINC000329743834	mid	5.48	-44.83	1	307.398	0.443	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)CCO1
178301989	ZINC000019750978	mid	5.89	-44.66	1	246.358	1.673	2	3	4	Cc1cc2nc(CN)n(CC[NH+](C)C)c2cc1C
365634804	ZINC000625072377	high	1.74	-42.89	-1	318.464	2.253	0	5	5	CC(C)c1csc(C[N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)n1
398249089	ZINC000649443147	ref	7.24	-44.55	1	229.323	2.777	1	1	1	CC1(C)Cc2cc(C3=CC[NH2+]CC3)ccc2O1
214185217	ZINC000293573251	ref	-0.32	-17.53	0	372.472	0.758	1	6	5	Cc1c(S(=O)(=O)N(C)[C@H](C)c2cccc(S(N)(=O)=O)c2)cnn1C
365634810	ZINC000625071458	ref	5.22	-10.39	0	318.425	2.328	1	6	5	CO[C@@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)[C@@H](C)C1
365634814	ZINC000625075047	ref	5.07	-12.57	0	300.305	2.265	1	3	4	Cc1cc(C(F)F)oc1C(=O)N[C@@H]1CC(=O)N(C(C)C)C1
365634820	ZINC000625071230	ref	6.67	-43.23	1	306.406	2.061	1	4	7	Cc1ccc(NC(=O)CN(C)CCOC2CCOCC2)cc1
365634827	ZINC000625071230	mid	6.69	-43.38	1	306.406	2.061	2	3	7	Cc1ccc(NC(=O)C[N@H+](C)CCOC2CCOCC2)cc1
398249095	ZINC000649443273	ref	3.46	-7.67	0	201.225	2.585	0	3	1	Cc1coc(-c2ccc3c(c2)CCO3)n1
342079013	ZINC000625300689	low	4.11	-48.08	1	283.328	1.211	2	2	6	O=S(=O)(CCc1ccc(F)cc1)NCc1c[nH]c[nH+]1
342079014	ZINC000608856163	ref	6.48	-20.07	0	261.285	1.768	1	6	6	Cn1cc(CCCNc2cccnc2[N+](=O)[O-])cn1
365634830	ZINC000625071230	mid	6.67	-43.23	1	306.406	2.061	2	3	7	Cc1ccc(NC(=O)C[N@@H+](C)CCOC2CCOCC2)cc1
365634835	ZINC000625071255	ref	2.78	-6.07	0	324.428	2.316	0	5	6	COc1cncc(CN2CCN(C/C=C\c3ccccc3)CC2)n1
365634841	ZINC000625071255	mid	5.06	-39.35	1	324.428	2.316	1	4	6	COc1cncc(CN2CC[NH+](C/C=C\c3ccccc3)CC2)n1
178301995	ZINC000022124883	ref	6.07	-16.45	0	237.353	2.569	2	3	1	Cc1cc2nc(NC(N)=S)sc2cc1C
398249098	ZINC000649443230	ref	6.65	-13.66	0	215.256	1.725	0	4	1	Cc1nnc(-c2ccc3c(c2)CCO3)n1C
398249103	ZINC000649443114	ref	7.66	-45.07	1	239.322	2.308	1	2	3	C1=C(c2ccc(Cn3cccn3)cc2)CC[NH2+]C1
342079015	ZINC000625300251	ref	6.0	-47.51	1	264.373	1.426	2	3	4	CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CC)C2)c(C)n1
365634848	ZINC000625071687	ref	5.92	-11.22	0	317.422	2.417	1	7	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)Cc1cscn1
342595753	ZINC000616963553	ref	3.27	-20.1	0	262.284	1.234	2	2	4	O=C(C/C=C\c1cccc(F)c1)N[C@H]1CCNC1=O
342595754	ZINC000616963381	ref	3.92	-17.25	0	290.363	1.413	2	3	7	CCCOc1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1
349534779	ZINC000093260483	ref	4.96	-7.91	0	296.371	0.806	1	5	7	CCCc1cc(NC(=O)C(=O)N(C)CCOCC)n(C)n1
365634805	ZINC000172894954	ref	1.49	-16.9	0	290.41	1.092	1	3	5	Cc1c(C[S@@](C)=O)cccc1NS(=O)(=O)N(C)C
349534784	ZINC000093279735	ref	3.05	-11.33	0	281.356	0.537	1	5	5	COC(=O)C(C)(C)[C@@H]1CCCN(CC(=O)NCC#N)C1
349534790	ZINC000093279735	mid	5.59	-42.49	1	281.356	0.537	2	4	5	COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1
349534794	ZINC000093279735	mid	5.16	-43.91	1	281.356	0.537	2	4	5	COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1
137823046	ZINC000408013248	ref	4.83	-18.02	0	287.323	0.181	1	5	1	CNC(=O)C(=O)N1CCC(c2nnc3ccccn23)CC1
365634818	ZINC000172900659	ref	7.55	-19.38	0	291.38	1.36	0	6	3	Cc1cc(N2CC[C@@H](Sc3nccn3C)C2=O)n(C)n1
342595755	ZINC000616963900	ref	3.72	-18.64	0	278.377	1.562	2	3	5	CC[C@H](Sc1ccccc1)C(=O)N[C@H]1CCNC1=O
342595756	ZINC000616963976	ref	5.61	-18.64	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1
365634826	ZINC000172896351	ref	6.02	-14.22	0	296.317	1.663	1	2	5	CNC(=O)CCN(C)C(=O)[C@H]1C[C@H]1c1cccc(F)c1F
365634834	ZINC000172895306	ref	1.14	-9.08	0	299.396	1.13	1	4	4	C[C@@H]1CN(c2ccc(NS(=O)(=O)N(C)C)cc2)CCO1
365634843	ZINC000172895313	ref	1.14	-9.15	0	299.396	1.13	1	4	4	C[C@H]1CN(c2ccc(NS(=O)(=O)N(C)C)cc2)CCO1
365634851	ZINC000172899858	ref	5.81	-14.36	0	296.421	1.67	0	6	2	Cc1cc(N2CC[C@H](SC3=NCCS3)C2=O)n(C)n1
349534799	ZINC000093261372	ref	4.39	-9.14	0	283.328	0.979	1	5	6	CCOCCN(C)C(=O)C(=O)Nc1c(C)noc1CC
282122510	ZINC000408321829	ref	1.27	-38.82	1	272.345	-0.683	2	4	3	C[NH+](C)C[C@@H]1CN(C(=O)C2(O)CCOCC2)CCO1
342595757	ZINC000616963353	ref	2.63	-16.94	0	276.336	1.193	2	3	5	COc1ccc([C@@H](C)CC(=O)N[C@@H]2CCNC2=O)cc1
282122511	ZINC000408321829	high	-1.22	-7.94	0	272.345	-0.683	1	5	3	CN(C)C[C@@H]1CN(C(=O)C2(O)CCOCC2)CCO1
342600526	ZINC000616999781	mid	6.48	-41.75	1	278.4	1.579	3	2	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCc2cnc[nH]2)C1
342600527	ZINC000616999781	mid	6.45	-41.23	1	278.4	1.579	3	2	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCc2cnc[nH]2)C1
342600528	ZINC000616999781	low	6.99	-81.28	2	278.4	1.579	3	1	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1
214185224	ZINC000278485851	ref	6.87	-32.45	1	302.462	2.843	2	2	6	C[N@H+](CCO)C1CCN(Cc2ccc(C3CCC3)cc2)CC1
185088809	ZINC000096073009	mid	7.93	-42.85	1	298.39	2.343	2	3	3	c1cncc([C@@H]2COC3(CC[NH+](Cc4cnc[nH]4)CC3)C2)c1
214185227	ZINC000278485851	mid	7.18	-31.69	1	302.462	2.843	2	2	6	C[N@@H+](CCO)C1CCN(Cc2ccc(C3CCC3)cc2)CC1
214185229	ZINC000278485851	low	9.23	-99.43	2	302.462	2.843	3	1	6	C[N@H+](CCO)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1
214185231	ZINC000278485851	low	9.54	-100.28	2	302.462	2.843	3	1	6	C[N@@H+](CCO)C1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1
214185236	ZINC000278485300	ref	4.01	-11.91	0	318.402	3.154	3	4	4	CCNC(=O)Nc1ccc(C)c(NC(=O)c2cc(C)sn2)c1
342079016	ZINC000625300251	mid	6.53	-50.47	1	264.373	1.426	2	3	4	CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CC)C2)c(C)n1
342079017	ZINC000625300251	high	3.49	-12.46	0	264.373	1.426	1	4	4	CCN1CCC[C@@H](NC(=O)c2cn(CC)nc2C)C1
214185250	ZINC000278484901	ref	11.32	-106.75	2	324.472	3.397	2	2	6	C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(-n2cccn2)cc1
214185253	ZINC000278485741	ref	6.43	-11.15	0	321.417	2.84	1	4	7	CCOc1cc2c(cc1CNC(=O)CC(C)(C)OC)O[C@@H](C)C2
185088811	ZINC000096073009	low	8.45	-105.24	2	298.39	2.343	2	2	3	c1cncc([C@@H]2COC3(CC[NH+](Cc4c[nH+]c[nH]4)CC3)C2)c1
214185256	ZINC000278486231	ref	3.34	-8.58	0	302.172	1.337	1	4	2	C[C@H]1COCC[C@H]1NC(=O)c1cnn(C)c1Br
214185259	ZINC000278486452	ref	6.64	-11.31	0	305.765	2.333	1	4	3	Cn1cncc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1
185088813	ZINC000096073009	high	5.71	-10.67	0	298.39	2.343	1	4	3	c1cncc([C@@H]2COC3(CCN(Cc4c[nH]cn4)CC3)C2)c1
214185262	ZINC000278486019	ref	9.18	-12.43	0	314.437	2.851	1	6	5	c1nn(Cc2nnc3n2CCCC3)cc1NCC1CCCCC1
185088815	ZINC000096073009	high	5.66	-9.15	0	298.39	2.343	1	4	3	c1cncc([C@@H]2COC3(CCN(Cc4cnc[nH]4)CC3)C2)c1
185088817	ZINC000096073345	ref	6.89	-10.03	0	292.379	2.713	0	4	2	CC[C@@H]1CO[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1
365634817	ZINC000336551587	ref	4.32	-21.79	0	293.273	2.247	2	2	3	CN(C)C(=O)c1cc(NC(=O)c2cc(F)c[nH]2)ccc1F
365634822	ZINC000336551528	ref	6.69	-7.96	0	263.312	2.137	0	2	2	O=C(C[C@@H]1CCOC1)N1CCc2cccc(F)c2C1
214185265	ZINC000278485829	ref	5.47	-5.76	0	314.252	3.437	0	4	4	C[C@@H](c1cccs1)N(C)Cc1c(Br)cnn1C
349534781	ZINC000621492912	ref	7.82	-10.26	0	280.318	3.318	1	1	3	C[C@@H]1c2ccccc2CN1C(=O)NCC[C@H]1CC1(F)F
306234661	ZINC000557912225	ref	6.52	-7.57	0	343.452	1.949	1	4	3	CCc1nc(CNC(=O)C(=O)N2CCc3ccccc3CC2)cs1
306234662	ZINC000557902269	ref	3.99	-51.95	1	345.509	1.088	3	3	6	CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1
214185228	ZINC000337623090	ref	3.82	-9.6	0	276.327	2.29	2	2	4	O=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCC(F)(F)C1
214185232	ZINC000337622284	ref	4.87	-16.28	0	297.314	3.182	1	5	4	CCOc1ccccc1C(=O)Nc1cnc2onc(C)c2c1
214185235	ZINC000337623995	ref	4.83	-9.05	0	277.349	2.218	1	5	5	CS[C@H](C)CNC(=O)c1cc(-c2ccccn2)no1
178301990	ZINC000237194839	ref	5.43	-40.53	1	358.486	1.331	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1
214185239	ZINC000337620957	ref	6.61	-9.19	0	279.262	2.428	2	3	5	CC[C@H](C)[C@@H](OC)C(=O)Nc1nc(C(F)(F)F)c[nH]1
178301991	ZINC000237194839	mid	7.78	-85.42	2	358.486	1.331	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1
214185243	ZINC000337620957	mid	6.53	-8.54	0	279.262	2.428	2	3	5	CC[C@H](C)[C@@H](OC)C(=O)Nc1ncc(C(F)(F)F)[nH]1
214185245	ZINC000337620446	ref	5.85	-8.29	0	271.364	3.027	2	2	5	CCC(C)(C)c1ccc(CNC(=O)c2cn[nH]c2)cc1
214185248	ZINC000337622131	ref	5.71	-8.57	0	281.44	3.26	2	2	4	CC1(C)CCC(CC(=O)NC[C@@H]2CCCC[C@@H]2O)CC1
214185255	ZINC000337622133	ref	5.71	-8.57	0	281.44	3.26	2	2	4	CC1(C)CCC(CC(=O)NC[C@H]2CCCC[C@H]2O)CC1
214185261	ZINC000337624274	ref	6.2	-11.02	0	288.391	3.081	2	2	4	CC(C)C[C@@H](C)NC(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
214185266	ZINC000337623664	ref	2.66	-12.3	0	263.288	0.952	2	2	4	CCNC(=O)CNC(=O)N1CCCC[C@@H]1C(F)F
214185270	ZINC000337620894	ref	2.03	-7.1	0	274.43	0.901	1	4	5	CSCC(C)(C)C(=O)N1CCN(CCO)[C@H](C)C1
214185272	ZINC000337620894	mid	4.06	-40.98	1	274.43	0.901	2	3	5	CSCC(C)(C)C(=O)N1CC[N@H+](CCO)[C@H](C)C1
214185275	ZINC000337620894	mid	4.17	-39.85	1	274.43	0.901	2	3	5	CSCC(C)(C)C(=O)N1CC[N@@H+](CCO)[C@H](C)C1
214185277	ZINC000337623092	ref	3.82	-9.81	0	276.327	2.29	2	2	4	O=C(NC[C@H]1CCCC(F)(F)C1)NC[C@@H]1CCCO1
214185284	ZINC000337620660	ref	1.36	-16.33	0	279.3	0.214	1	6	6	COCCn1ccc(=NC(=O)CCc2nc(C)no2)[nH]1
214185287	ZINC000337621082	ref	5.52	-9.04	0	290.26	3.123	2	1	4	C[C@@H](NC(=O)NC1(C(F)F)CC1)c1ccc(F)cc1F
214185294	ZINC000337623487	ref	0.91	-10.38	0	285.344	0.593	1	6	9	CC(C)c1noc(CCC(=O)N(C)CCOCCO)n1
214185296	ZINC000337622894	ref	1.82	-17.98	0	261.314	0.259	3	5	2	CN=c1[nH]c(CN=c2ncnc3[nH][nH]cc2-3)cs1
365634828	ZINC000336551366	ref	1.36	-14.39	0	253.302	2.062	2	4	3	CO[C@H]1CCCC[C@@H]1NC(=O)Nc1ncc(C)o1
365634833	ZINC000336551130	ref	6.14	-51.56	1	280.318	2.317	1	1	2	CN(C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)c1ccc(F)c(F)c1
342595758	ZINC000616964405	ref	2.66	-22.32	0	291.738	1.368	3	2	3	O=C(Cc1c[nH]c2ccc(Cl)cc12)N[C@H]1CCNC1=O
365634839	ZINC000336551598	ref	0.03	-7.95	0	250.229	2.334	2	4	3	CCc1ocnc1C(=O)Nc1ccc(F)cc1O
365634845	ZINC000336551598	mid	0.78	-44.65	-1	250.229	2.334	1	4	3	CCc1ocnc1C(=O)Nc1ccc(F)cc1[O-]
199273032	ZINC000181260493	ref	8.83	-14.1	0	311.429	3.143	1	2	2	Cc1cc(CC(=O)N2CCc3ccc(C(C)(C)C)cc3C2)[nH]n1
178301993	ZINC000237193365	ref	5.5	-48.47	1	358.486	1.331	2	3	5	CN1CCN(C(=O)Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1
365634852	ZINC000336551047	ref	6.17	-17.41	0	250.346	2.15	1	2	2	CC[C@@H]1CCN(C(=O)N=c2ccn(C(C)C)[nH]2)C1
365634860	ZINC000336551604	ref	7.26	-38.03	1	276.38	2.371	2	2	3	CC(C)[NH+]1CCC(NC(=O)c2occ3c2CCC3)CC1
365634866	ZINC000336550917	ref	5.48	-8.71	0	276.336	2.399	1	3	2	COc1ccc(C)cc1NC(=O)N1C[C@@H]2CC[C@H](C1)O2
365634875	ZINC000336551445	ref	4.96	-9.8	0	280.393	2.016	2	3	3	CCc1cc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)sc1C
398249091	ZINC000367214076	high	5.77	-30.85	1	240.391	1.704	2	2	4	CN(CCC(C)(C)O)C1C[C@@H]2CC[C@H](C1)[N@H+]2C
365634882	ZINC000336551354	ref	6.06	-12.05	0	291.354	2.497	1	3	3	Cc1cc([C@@H]2NC(=O)CN2Cc2ccccc2)ccc1C#N
365634888	ZINC000336551709	ref	8.12	-10.49	0	275.396	2.394	0	3	3	CC1=C[C@@H](C)CN(C(=O)CCc2c(C)nn(C)c2C)C1
365634896	ZINC000336551332	ref	5.5	-6.59	0	293.392	2.045	1	4	2	CCc1csc(NC(=O)C(=O)N2CC[C@H]3CCC[C@@H]32)n1
136229216	ZINC000232473029	low	6.26	-114.21	2	241.338	2.076	2	1	4	c1cnc2c(C[NH2+]C[C@@H]3CCC[NH2+]3)cccc2c1
365634905	ZINC000336551641	ref	2.92	-13.94	0	261.325	2.386	1	3	3	CN(C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1)c1cccnc1
199273034	ZINC000181263207	ref	8.42	-8.64	0	323.408	3.148	0	3	8	CO[C@@H](C)CCC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1
178301996	ZINC000237193365	mid	7.84	-92.27	2	358.486	1.331	3	2	5	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1
365634913	ZINC000336551755	ref	7.34	-43.24	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@@H]3CCCC[N@H+]3C[C@H]2C)ccn1
365634919	ZINC000336551755	mid	7.47	-44.78	1	273.38	2.089	1	2	1	Cc1cc(C(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)ccn1
398249094	ZINC000367013592	ref	-0.1	-11.53	0	222.235	-0.176	2	3	4	CCN(CCO)C(=O)[C@@H]1CC(F)(F)CN1
365634842	ZINC000641602961	ref	1.92	-11.44	0	291.413	1.146	1	4	6	COC1CC(CCNS(=O)(=O)[C@@H]2CCOC[C@H]2C)C1
365634854	ZINC000641602888	ref	2.9	-22.06	0	288.347	1.263	2	3	1	O=C(c1cc2c([nH]c1=O)CCCCC2)N1C[C@@H]2C[C@]2(O)C1
365634862	ZINC000641602895	ref	3.99	-12.57	0	279.312	1.217	1	3	5	CN(Cc1c[nH]cn1)S(=O)(=O)C[C@@]1(C)CC1(F)F
365634869	ZINC000641602895	mid	4.08	-13.19	0	279.312	1.217	1	3	5	CN(Cc1cnc[nH]1)S(=O)(=O)C[C@@]1(C)CC1(F)F
178301997	ZINC000237188171	ref	8.55	-94.04	2	353.466	1.958	3	2	7	C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1
365634872	ZINC000641602895	low	4.6	-40.27	1	279.312	1.217	1	2	5	CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C[C@@]1(C)CC1(F)F
365634879	ZINC000641602895	low	4.61	-39.79	1	279.312	1.217	1	2	5	CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C[C@@]1(C)CC1(F)F
178301999	ZINC000237188171	mid	7.17	-39.04	1	353.466	1.958	3	3	7	C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1Cc2ccccc2CN1
365634886	ZINC000641599522	ref	-1.22	-14.27	0	276.358	1.172	1	5	7	COCCS(=O)(=O)NCc1oc(C(C)C)nc1C
398249092	ZINC000651462495	mid	3.87	-44.66	1	265.382	3.243	1	4	6	CCCc1ncc(C[NH2+][C@H](C)c2cnc(C)s2)o1
365634895	ZINC000641599522	high	-1.61	-41.7	-1	276.358	1.172	0	5	7	COCCS(=O)(=O)[N-]Cc1oc(C(C)C)nc1C
365634906	ZINC000641602920	ref	2.25	-11.01	0	283.34	1.519	1	3	4	CC1(C)C[C@@H](NS(=O)(=O)C[C@@]2(C)CC2(F)F)CO1
365634917	ZINC000641602963	ref	1.96	-12.44	0	291.413	1.146	1	4	6	COC1CC(CCNS(=O)(=O)[C@H]2CCOC[C@H]2C)C1
365634926	ZINC000641599469	ref	5.34	-10.72	0	262.357	1.528	1	4	4	CC(=O)NCC[C@H]1CCCN(c2ncncc2C)C1
365634938	ZINC000641599571	ref	3.31	-12.67	0	289.379	1.633	2	4	3	CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2cc(CO)ccn2)C1
365634949	ZINC000641599571	low	3.79	-39.03	1	289.379	1.633	2	3	3	CC(=O)N1C[C@@H]2[C@@H](CCC[C@H]2Nc2cc(CO)cc[nH+]2)C1
214185237	ZINC000293579087	ref	1.05	-16.65	0	360.48	0.493	2	6	8	COCC(C)(C)CNC(=O)[C@H](C)NS(=O)(=O)c1c(C)nn(C)c1C
365634957	ZINC000641600021	ref	5.45	-11.14	0	275.373	1.859	1	3	1	O=C([C@@H]1CCSc2ccccc21)N1C[C@@H]2C[C@]2(O)C1
365634969	ZINC000641602572	ref	6.23	-7.04	0	269.352	1.849	1	5	5	CN(C)c1cccnc1CNc1cc(C2CC2)ncn1
365634980	ZINC000641599538	ref	5.54	-7.19	0	255.268	1.826	0	4	2	FC1(F)COCCN(c2cc(C3CC3)ncn2)C1
365634992	ZINC000641602885	ref	2.87	-18.88	0	288.347	1.263	2	3	1	O=C(c1cc2c([nH]c1=O)CCCCC2)N1C[C@H]2C[C@@]2(O)C1
365634998	ZINC000641599922	ref	4.14	-11.62	0	298.412	1.078	0	5	4	CN(C)c1cnn(C2CCN(S(=O)(=O)C3CC3)CC2)c1
214185242	ZINC000293579434	ref	0.71	-62.36	1	352.46	0.747	3	4	6	C[C@H](NC1=NS(=O)(=O)c2ccccc21)C(=O)NC(C)(C)CCC[NH3+]
214185247	ZINC000293575317	ref	2.93	-23.17	0	350.396	0.419	0	5	3	CN1C(=O)c2ccc(C(=O)N3CC[C@@H](CS(C)(=O)=O)C3)cc2C1=O
214185251	ZINC000293575850	ref	2.88	-14.36	0	350.326	0.543	0	7	2	Cc1c(S(=O)(=O)N2CCn3c(nnc3C(F)(F)F)C2)cnn1C
214185257	ZINC000293584626	ref	3.7	-19.81	0	373.456	0.328	0	7	4	COC(=O)c1cc(S(=O)(=O)N2CSC[C@H]2C(=O)N(C)C)cnc1C
300267908	ZINC000337205333	high	-0.46	-4.07	0	298.349	1.077	2	4	4	C[C@H]1CN(C[C@](C)(O)C(F)(F)F)CCN1CC(C)(C)O
214185264	ZINC000293578078	ref	4.92	-22.16	0	365.415	0.525	2	7	6	Cn1cnc(NC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)n1
214185273	ZINC000293577074	ref	3.04	-15.6	0	361.398	0.345	1	5	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
365634846	ZINC000354706374	ref	2.08	-14.78	0	259.737	1.204	2	4	7	CC[C@@H](O)CCCNC(=O)Cn1cc(Cl)cn1
214185278	ZINC000293578617	ref	3.5	-30.0	0	355.398	0.45	1	5	1	Cn1[nH]cc2/c(=N\C(=O)C(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)ccnc1-2
214185281	ZINC000293578617	mid	3.34	-48.6	-1	355.398	0.45	0	5	1	Cn1[n-]cc2/c(=N\C(=O)C(=O)N3C[C@]4(CCCO4)[C@@H]3C3CC3)ccnc1-2
214185285	ZINC000293581093	ref	3.24	-20.08	0	369.228	0.864	0	4	4	C[C@@H](C[S@](C)=O)N(C)C(=O)c1cnn(C)c1I
214185289	ZINC000293582132	ref	1.65	-18.59	0	357.432	0.639	3	5	6	COC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[nH]1
214185293	ZINC000293572075	ref	4.72	-16.37	0	357.414	0.96	3	4	4	O=C(NC1CC1)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(C3CC3)n2)C1
214185300	ZINC000293572870	ref	5.97	-17.59	0	362.407	0.955	0	6	2	COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2cc(C)ccc2n1
214185305	ZINC000293572071	ref	4.67	-17.46	0	357.414	0.96	3	4	4	O=C(NC1CC1)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C3CC3)n2)C1
214185310	ZINC000293584181	ref	2.71	-56.25	1	355.435	0.703	2	3	4	C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1
214185314	ZINC000293584181	high	2.52	-77.71	0	355.435	0.703	1	3	4	C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1
214185317	ZINC000293577992	ref	2.05	-18.56	0	373.457	0.775	3	5	9	CCC[C@H](C)C(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1
349534782	ZINC000618813739	ref	5.71	-18.7	0	250.346	1.6	0	4	3	C[C@H]1CCC[C@H](C(=O)N(C)Cc2cn(C)nn2)C1
192037653	ZINC000418465102	ref	4.28	-56.53	1	239.363	1.555	2	1	3	CC[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1
282122512	ZINC000332008086	ref	5.32	-79.32	2	338.452	-0.482	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1
342595759	ZINC000616964497	ref	3.93	-17.44	0	260.337	1.575	2	2	5	CC[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
342595760	ZINC000616964528	ref	3.6	-22.09	0	294.376	1.18	2	4	5	CSc1ccc(O[C@@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
342595761	ZINC000616964529	ref	3.56	-22.25	0	294.376	1.18	2	4	5	CSc1ccc(O[C@H](C)C(=O)N[C@H]2CCNC2=O)cc1
342595762	ZINC000616964511	ref	4.6	-17.52	0	274.364	1.883	2	2	5	CC[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(C)cc1
342595763	ZINC000616964513	ref	4.6	-17.89	0	274.364	1.883	2	2	5	CC[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(C)cc1
342595764	ZINC000616964532	ref	3.86	-16.19	0	260.337	1.493	2	2	4	Cc1ccccc1[C@@H](C)CC(=O)N[C@H]1CCNC1=O
214185254	ZINC000053478179	ref	5.58	-20.21	0	343.427	1.441	2	3	3	Cc1cc(C)cc(N2CC[C@H](C(=O)N[C@H]3CCCCNC3=O)C2=O)c1
214185258	ZINC000053490438	ref	7.53	-14.07	0	348.512	3.189	1	3	4	C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CSc1ccc(C(C)(C)C)cc1
214185263	ZINC000053489601	ref	6.15	-13.62	0	345.487	2.033	2	3	7	Cc1cccc(CCC(=O)NC2CCN(CC(=O)NC(C)C)CC2)c1
214185268	ZINC000053489601	mid	8.33	-45.55	1	345.487	2.033	3	2	7	Cc1cccc(CCC(=O)NC2CC[NH+](CC(=O)NC(C)C)CC2)c1
214185271	ZINC000053485574	ref	8.6	-12.85	0	341.48	3.231	1	4	7	O=C(CSCc1cccnc1)NCc1ccc(N2CCCC2)cc1
214185283	ZINC000053473026	ref	6.68	-17.23	0	349.39	2.298	2	4	4	O=C(Cn1[nH]c(=O)c2ccccc2c1=O)NC1(c2ccccc2)CCC1
214185288	ZINC000053473026	high	5.89	-54.38	-1	349.39	2.298	1	4	4	O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC1(c2ccccc2)CCC1
214185292	ZINC000053473865	ref	7.1	-14.68	0	336.388	1.592	0	5	4	COC(=O)c1cc(CN(C)C(=O)[C@H]2CCCN(C(C)=O)C2)oc1C
214185298	ZINC000053473572	ref	9.17	-10.11	0	332.419	3.079	0	2	3	CN(C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1)C1CCCC1
214185302	ZINC000053467791	ref	4.11	-19.42	0	328.368	1.532	2	4	8	COc1cccc(CCNC(=O)c2ccc(OCC(N)=O)cc2)c1
214185307	ZINC000053477063	ref	7.15	-19.57	0	346.427	2.223	1	4	8	CNC(=O)COc1ccc(C(=O)N(C2CC2)[C@@H](C)C2CC2)cc1OC
214185312	ZINC000053491179	ref	2.87	-14.76	0	328.394	0.47	1	5	3	Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NC2CC2)CC1
214185318	ZINC000053492936	ref	4.95	-18.53	0	343.349	2.673	2	2	3	C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1cccc(C(F)(F)F)c1
365634849	ZINC000274360527	mid	5.45	-46.64	1	296.392	1.269	1	4	4	O=C(c1ccsc1)N1CC[NH+](CCC2OCCO2)CC1
365634857	ZINC000274358417	ref	6.27	-40.83	1	263.345	1.282	2	3	3	CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cncnc1
365634867	ZINC000274358417	mid	5.84	-41.66	1	263.345	1.282	2	3	3	CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cncnc1
365634874	ZINC000274358417	high	3.57	-11.02	0	263.345	1.282	1	4	3	CN1CCC[C@@H](CN(C)C(=O)Nc2cncnc2)C1
365634884	ZINC000274358480	ref	4.22	-8.63	0	273.34	1.95	0	6	4	CCOc1cc(N2CCC[C@@H]2c2cnn(C)c2)ncn1
365634892	ZINC000274359386	ref	7.02	-19.19	0	292.408	1.893	1	4	3	CC1=CCN(C(=O)NCCc2cn3c(n2)SCC3)CC1
365634904	ZINC000274357695	ref	4.26	-9.59	0	299.317	1.506	1	3	4	C[C@@H](O)C[C@H]1COCCN1C(=O)Cc1ccc(F)cc1F
282122513	ZINC000332008086	mid	4.98	-80.88	2	338.452	-0.482	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1
365634912	ZINC000274358578	ref	5.4	-13.39	0	269.308	1.724	1	5	3	O=C(Nc1cncnc1)c1cccnc1N1CCCC1
365634920	ZINC000274360143	ref	4.81	-14.13	0	266.297	1.405	0	5	4	CCOC(=O)[C@H]1CCCN1C(=O)c1ncoc1CC
365634933	ZINC000274359110	ref	5.25	-41.84	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C
365634944	ZINC000274359110	mid	4.56	-44.16	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C
365634948	ZINC000274359110	low	5.19	-42.78	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C
365634956	ZINC000274359110	low	4.52	-44.75	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C
365634963	ZINC000274359130	ref	4.57	-44.37	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C
178302001	ZINC000237188171	high	4.64	-9.45	0	353.466	1.958	2	4	7	CN(C)CCOc1ccccc1CNC(=O)[C@H]1Cc2ccccc2CN1
178302002	ZINC000237191021	ref	11.03	-63.62	-1	359.426	1.926	0	6	6	CCn1c(=O)n(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c2ccccc21
219047890	ZINC000350684404	high	6.79	-4.67	0	295.377	3.159	0	3	4	FC(F)Cn1cc(CN2CC3C[C@H]4CC2C[C@@H](C3)C4)cn1
365634973	ZINC000274359130	mid	5.23	-41.84	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C
365634982	ZINC000274359130	low	4.52	-44.25	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C
365634987	ZINC000274359130	low	5.17	-41.51	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C
342595765	ZINC000616964526	ref	3.57	-22.05	0	294.376	1.18	2	4	5	CSc1ccc(O[C@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
365634856	ZINC000625071254	ref	3.05	-6.24	0	324.428	2.316	0	5	6	COc1cncc(CN2CCN(C/C=C/c3ccccc3)CC2)n1
365634864	ZINC000625071254	mid	5.33	-42.37	1	324.428	2.316	1	4	6	COc1cncc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)n1
365634871	ZINC000625072712	ref	5.15	-9.65	0	324.446	2.424	0	4	3	Cc1cccc([C@H]2CCCN2S(=O)(=O)[C@@H]2COC(C)(C)C2)n1
365634876	ZINC000625071581	ref	7.25	-16.04	0	304.39	2.467	1	3	4	C[C@@H](CC(=O)c1ccccc1)NC(=O)N1C[C@H](C)O[C@H](C)C1
365634883	ZINC000625074187	ref	4.91	-10.65	0	311.447	2.333	1	3	5	Cc1cccc(C)c1CCNS(=O)(=O)[C@H]1COC(C)(C)C1
214185267	ZINC000278485829	low	7.69	-36.91	1	314.252	3.437	1	3	4	C[C@@H](c1cccs1)[N@H+](C)Cc1c(Br)cnn1C
365634890	ZINC000625070783	ref	2.27	-10.58	0	316.448	2.007	1	5	5	CC1(C)C[C@@H](S(=O)(=O)NCc2nc(C3CC3)cs2)CO1
365634899	ZINC000625070783	high	1.89	-43.05	-1	316.448	2.007	0	5	5	CC1(C)C[C@@H](S(=O)(=O)[N-]Cc2nc(C3CC3)cs2)CO1
282122514	ZINC000332008086	high	2.78	-38.44	1	338.452	-0.482	2	4	3	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1
282122515	ZINC000332008086	high	2.44	-40.11	1	338.452	-0.482	2	4	3	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCO1
342595766	ZINC000616964496	ref	3.98	-16.23	0	260.337	1.575	2	2	5	CC[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
282122516	ZINC000335167272	ref	6.53	-38.19	1	252.358	1.276	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2=CCCCC2)CCO1
342595767	ZINC000616964495	ref	3.93	-17.74	0	260.337	1.575	2	2	5	CC[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1
365634907	ZINC000625072776	ref	5.3	-17.75	0	314.455	2.031	1	5	6	CCC(C)(C)CS(=O)(=O)N[C@H](C)c1nnc2n1CCCC2
365634918	ZINC000625070526	ref	3.56	-4.5	0	310.463	2.061	0	5	6	c1csc(CN2CCN(CCOC3CCOCC3)CC2)c1
365634927	ZINC000625070526	mid	5.98	-35.11	1	310.463	2.061	1	4	6	c1csc(C[NH+]2CCN(CCOC3CCOCC3)CC2)c1
365634935	ZINC000625070526	mid	5.89	-35.23	1	310.463	2.061	1	4	6	c1csc(CN2CC[NH+](CCOC3CCOCC3)CC2)c1
133428422	ZINC000306491750	ref	3.32	-7.88	0	179.223	1.994	0	4	2	CC(C)c1noc(C(C)(C)C#N)n1
365634945	ZINC000625074841	ref	5.57	-12.62	0	319.43	2.429	1	4	3	Cc1ncc(S(=O)(=O)N[C@@H]2CC(C)(C)c3ccccc32)n1C
365634952	ZINC000625071459	ref	5.12	-12.0	0	318.425	2.328	1	6	5	CO[C@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)[C@@H](C)C1
214185269	ZINC000278485829	low	7.71	-38.74	1	314.252	3.437	1	3	4	C[C@@H](c1cccs1)[N@@H+](C)Cc1c(Br)cnn1C
214185274	ZINC000278485964	ref	4.87	-42.62	1	304.39	1.669	2	3	8	CCC(CC)[C@H](O)C[NH2+]CCN1C(=O)c2ccccc2C1=O
214185276	ZINC000278486656	ref	1.22	-13.25	0	313.35	1.656	2	6	9	COC[C@H](C)OC[C@@H](O)COc1ccc(NC(=O)OC)cc1
178302004	ZINC000237186045	ref	4.02	-44.42	1	368.24	1.247	2	3	8	COCC[NH2+]CC(=O)NCCc1ccc(I)s1
178302006	ZINC000237186045	high	2.67	-10.46	0	368.24	1.247	2	4	8	COCCNCC(=O)NCCc1ccc(I)s1
178302008	ZINC000237194382	ref	5.45	-41.22	1	358.486	1.331	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1
214185280	ZINC000278485859	ref	2.71	-17.5	0	304.346	1.47	2	4	6	C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1cccc(OCC(N)=O)c1
214185286	ZINC000278486349	ref	0.64	-16.62	0	312.276	1.885	1	6	5	O=C(NCc1ccco1)[C@H]1CCCN1c1nnc(C(F)F)o1
178302010	ZINC000237194382	mid	7.8	-85.74	2	358.486	1.331	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1
214185290	ZINC000278485933	ref	10.12	-39.0	1	321.486	3.429	1	3	7	COc1cccc(C[N@H+](C[C@@H]2CCSC2)C[C@H]2CCCO2)c1
214185291	ZINC000278485933	mid	10.06	-39.7	1	321.486	3.429	1	3	7	COc1cccc(C[N@@H+](C[C@@H]2CCSC2)C[C@H]2CCCO2)c1
214185295	ZINC000278485203	ref	7.43	-16.21	0	310.357	2.782	2	6	4	Cc1cc(NOCC(C)(C)O)n2c(nc3ccccc32)c1C#N
214185299	ZINC000278485636	ref	4.32	-17.15	0	313.361	1.987	2	4	4	CCCn1cc(C(=O)Nc2ccc3c(c2)N(C(N)=O)CC3)cn1
214185304	ZINC000278485024	ref	3.24	-22.85	0	323.386	1.496	0	3	2	C[C@H]1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC[S@@]1=O
214185308	ZINC000278484921	ref	6.68	-11.89	0	305.355	2.89	0	6	6	COC[C@@H](OC(=O)c1ccc(C(C)=O)cc1)c1nccs1
214185311	ZINC000278486139	ref	8.73	-10.69	0	320.392	3.38	1	3	3	C[C@H]1COCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N
214185315	ZINC000278485483	ref	7.17	-13.13	0	301.375	3.027	0	7	4	Cc1nc([C@@H](C)Sc2nnc(-c3ccccc3)n2C)no1
214185320	ZINC000278485537	ref	5.65	-46.17	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@H]2C)c1
214185324	ZINC000278485537	mid	5.77	-46.42	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1
214185326	ZINC000278485537	mid	3.4	-11.19	0	309.385	2.053	2	3	3	Cc1cc(F)cc(NC(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)c1
214190634	ZINC000337636401	ref	5.69	-14.87	0	292.379	2.235	1	4	7	CCCCOCC(=O)N[C@@H]1CCCO[C@H]1c1ccncc1
197593028	ZINC000290094132	ref	4.72	-50.11	1	262.357	0.882	1	3	2	Cn1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1
197593031	ZINC000290093289	ref	6.17	-8.32	0	257.692	2.987	1	2	2	O=C(Nc1cccc(F)c1Cl)[C@H]1CCCCO1
365634858	ZINC000354707376	ref	5.49	-10.07	0	293.294	1.575	1	4	3	COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@H]1COc2ccc(F)cc21
365634870	ZINC000354706381	ref	0.34	-9.77	0	256.346	1.041	3	3	7	C[C@H](CO)CCCNC(=O)NCC1=CCCOC1
365634880	ZINC000354708204	ref	4.1	-12.33	0	287.319	1.466	1	5	6	COc1ccc(CCNC(=O)c2cncnc2)c(OC)c1
365634891	ZINC000354705774	ref	3.42	-14.14	0	272.345	1.196	2	4	6	COC(=O)CCCCNC(=O)N[C@H]1CCO[C@@H](C)C1
365634902	ZINC000354706954	ref	2.09	-8.45	0	296.371	1.61	2	5	4	COc1nn(C)cc1NC(=O)N[C@@H]1[C@H](C)[C@H](OC)C1(C)C
365634910	ZINC000354706664	ref	0.04	-12.82	0	282.306	1.148	2	3	7	CC[C@H](O)CCCNC(=O)C1CN(CC(F)(F)F)C1
365634923	ZINC000354707129	ref	5.88	-15.97	0	295.335	1.412	0	5	5	COC[C@H]1CCN(C(=O)c2c(C)coc2CC(=O)OC)C1
342595768	ZINC000616964403	ref	2.65	-19.52	0	291.738	1.368	3	2	3	O=C(Cc1c[nH]c2ccc(Cl)cc12)N[C@@H]1CCNC1=O
365634931	ZINC000354706376	ref	6.19	-12.0	0	288.351	1.706	2	4	6	COC[C@@H](C)NC(=O)NCc1ccccc1-n1ccnc1
365634939	ZINC000354706376	low	7.02	-35.94	1	288.351	1.706	2	3	6	COC[C@@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1
365634951	ZINC000354705900	ref	4.27	-57.69	1	260.341	1.923	2	3	3	Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCO[C@@H](C)C3)cc12
365634961	ZINC000354707380	ref	5.36	-11.73	0	293.294	1.575	1	4	3	COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1COc2ccc(F)cc21
365634964	ZINC000354707602	ref	5.11	-55.53	1	282.388	1.181	1	6	6	CC(C)(C)OCCCCN1CCn2c(CO)nnc2C1
365634976	ZINC000354707602	mid	5.1	-55.29	1	282.388	1.181	2	5	6	CC(C)(C)OCCCC[N@@H+]1CCn2c(CO)nnc2C1
365634981	ZINC000354707602	mid	5.11	-55.53	1	282.388	1.181	2	5	6	CC(C)(C)OCCCC[N@H+]1CCn2c(CO)nnc2C1
365634988	ZINC000354706783	ref	6.7	-15.87	0	291.351	1.638	2	5	6	COCCn1c(NC(=O)[C@H](O)C(C)C)nc2ccccc21
342595769	ZINC000616964491	ref	3.12	-21.86	0	282.727	1.032	2	3	4	Cc1c(Cl)cccc1OCC(=O)N[C@@H]1CCNC1=O
349534783	ZINC000602430759	ref	8.21	-41.72	1	238.331	1.954	1	3	5	COC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](C)CCC#N
365635000	ZINC000354707044	ref	4.69	-7.69	0	290.429	1.464	0	3	6	CCN(CCC1CC1)S(=O)(=O)N1CCOC(C)(C)C1
365635008	ZINC000354707349	ref	5.14	-11.62	0	281.4	1.875	2	2	6	CC[C@H](C)CCC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1
343993946	ZINC000248507188	ref	4.85	-9.35	0	283.393	1.934	0	3	4	Cc1ccc(CN(C)S(=O)(=O)[C@H]2CCO[C@H]2C)cc1
136229217	ZINC000292813577	ref	6.44	-37.89	1	243.35	2.503	2	1	5	CC#CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1
136229218	ZINC000292813577	high	5.48	-4.52	0	243.35	2.503	2	2	5	CC#CCN[C@H](c1ccccc1)C1(CO)CCC1
136229219	ZINC000184904004	ref	1.97	-11.54	0	210.277	0.288	2	2	5	C#CCC(C)(C)C(=O)NCCNC(C)=O
343993948	ZINC000599270410	ref	7.82	-50.27	1	283.343	1.614	2	3	8	CCOC(=O)C[C@H](O)C[N@H+](C)CCc1ccc(F)cc1
282122517	ZINC000335167272	high	4.11	-7.92	0	252.358	1.276	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2=CCCCC2)CCO1
282122518	ZINC000331376772	ref	7.69	-45.91	1	349.475	1.124	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)CCO1
343994989	ZINC000625564071	ref	-3.67	-13.86	0	241.247	-0.061	2	5	6	CNC(=O)CCCNC(=O)c1coc(OC)n1
214185297	ZINC000337622894	high	1.66	-29.39	-1	261.314	0.259	2	5	2	CN=c1[nH]c(CN=c2ncnc3[nH][n-]cc2-3)cs1
214185303	ZINC000337621935	ref	4.64	-12.12	0	297.358	2.259	2	3	4	O=C(N[C@H]1CCOC1)N[C@@H](c1ccccc1)c1ccccn1
214185306	ZINC000337621397	ref	1.77	-15.48	0	275.345	0.038	1	5	9	C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)CCOCCO
192037654	ZINC000418465302	ref	0.84	-53.69	1	242.323	-0.484	3	2	6	CCC[NH2+]CCNC(=O)N1CC(NC(C)=O)C1
136229220	ZINC000232465965	ref	7.3	-128.12	2	230.355	1.885	2	0	3	c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)C2
214185309	ZINC000337623996	ref	4.83	-9.06	0	277.349	2.218	1	5	5	CS[C@@H](C)CNC(=O)c1cc(-c2ccccn2)no1
214185313	ZINC000337622541	ref	8.8	-10.09	0	280.327	3.102	1	3	3	CC[C@H](c1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
214185316	ZINC000337623948	ref	-4.81	-16.07	0	291.189	-0.035	5	5	3	O=C(Cc1[nH]c(O)nc1O)Nc1ncc(C(F)(F)F)[nH]1
214185319	ZINC000337622949	ref	1.43	-8.43	0	292.326	0.984	1	4	4	CN1CCOC[C@@H]1C(=O)N[C@H]1CCCC[C@H]1OC(F)F
214185322	ZINC000337621751	ref	5.32	-15.06	0	292.354	2.308	2	2	4	CC(C)[C@@H](NC(=O)[C@H]1CCCC(=O)N1)c1ccc(F)cc1
214185327	ZINC000337622017	ref	4.78	-11.94	0	285.225	2.315	3	3	3	O=C(Cc1ccc(O)cc1)Nc1nc(C(F)(F)F)c[nH]1
214185330	ZINC000337622017	mid	4.7	-11.02	0	285.225	2.315	3	3	3	O=C(Cc1ccc(O)cc1)Nc1ncc(C(F)(F)F)[nH]1
214185334	ZINC000337623714	ref	6.18	-12.28	0	268.401	2.186	1	2	3	CC(C)C(=O)N[C@H]1CCCN(C(=O)CC(C)(C)C)C1
214185337	ZINC000337621523	ref	3.84	-17.27	0	281.356	0.572	1	3	2	O=C(N[C@H]1CCOC1)N1CCC(N2CCCC2=O)CC1
214185342	ZINC000337622135	ref	5.58	-8.38	0	281.44	3.26	2	2	4	CC1(C)CCC(CC(=O)NC[C@@H]2CCCC[C@H]2O)CC1
398249096	ZINC000053097446	high	4.46	-5.54	0	244.338	2.343	2	3	4	N#Cc1ccccc1CNC1(CO)CCCCC1
214185321	ZINC000053473391	ref	4.33	-19.79	0	347.44	1.742	2	4	5	CNS(=O)(=O)c1cc(C(=O)NC2(c3ccccc3)CCC2)n(C)c1
178302005	ZINC000040310654	ref	6.32	-9.06	0	246.354	2.844	1	3	4	Cc1cc2nc(CCO)n(CC(C)C)c2cc1C
178302007	ZINC000040310654	low	6.75	-25.45	1	246.354	2.844	1	2	4	Cc1cc2[nH+]c(CCO)n(CC(C)C)c2cc1C
214185325	ZINC000053483447	ref	3.98	-27.06	0	340.445	1.219	1	4	8	CCN(CC)C(=O)c1ccc(CNC(=O)CS(=O)(=O)CC)cc1
214185333	ZINC000053481306	ref	6.04	-54.99	1	343.452	3.085	3	3	5	NC(=O)c1csc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1
214185338	ZINC000053481306	high	3.66	-19.33	0	343.452	3.085	2	4	5	NC(=O)c1csc(C(=O)Nc2cccc(CN3CCCCC3)c2)c1
214185343	ZINC000053465344	ref	7.5	-54.56	1	343.402	2.776	3	2	6	CC(=O)Nc1ccc(F)c(C(=O)NCc2cccc(C[NH+](C)C)c2)c1
214185348	ZINC000053465344	high	5.03	-15.01	0	343.402	2.776	2	3	6	CC(=O)Nc1ccc(F)c(C(=O)NCc2cccc(CN(C)C)c2)c1
214185354	ZINC000053484948	ref	5.43	-9.23	0	347.374	3.475	1	5	5	O=C(NCc1ncc(-c2ccccc2)o1)C1=NO[C@@H](c2ccccc2)C1
214185358	ZINC000053469174	ref	5.12	-20.17	0	332.379	1.482	2	4	6	CC(C)N1C[C@H](C(=O)NCCNc2cccc(F)c2C#N)CC1=O
365634861	ZINC000617425557	ref	4.56	-18.61	0	299.334	0.83	2	5	4	C[C@@H]1C[C@H](NC(=O)CNC(=O)c2ccccc2)c2ncnn21
214185361	ZINC000053486299	ref	6.83	-12.04	0	342.464	3.499	1	4	4	O=C(NC[C@@H]1CCOC1)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1
214185364	ZINC000053492245	ref	6.2	-15.98	0	325.412	2.808	2	2	3	C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2ccccc2c1
178302009	ZINC000051847960	ref	3.7	-43.28	1	203.289	2.069	2	1	2	Cc1cc2nc(C[C@@H](C)[NH3+])[nH]c2cc1C
178302011	ZINC000051847960	low	4.31	-104.73	2	203.289	2.069	2	0	2	Cc1cc2[nH]c(C[C@@H](C)[NH3+])[nH+]c2cc1C
178302013	ZINC000031895451	ref	3.92	-47.91	1	206.314	2.414	1	2	2	Cc1cc2nc(CC[NH3+])sc2cc1C
398249100	ZINC000286154306	ref	-0.58	-6.1	0	213.277	0.201	3	3	6	C=CC[C@H](CO)NC(=O)[C@](C)(O)C1CC1
398249104	ZINC000286168223	ref	7.22	-44.83	1	247.338	2.686	1	2	5	CC#CC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C
398249107	ZINC000286168223	high	6.21	-7.09	0	247.338	2.686	1	3	5	CC#CCN[C@@H](C)c1ccc(OC)c(OC)c1C
398249112	ZINC000100388036	ref	2.28	-12.67	0	201.178	-0.836	1	6	2	COC(=O)C(C(=O)OC)=C1NCCO1
178302021	ZINC000005379690	ref	0.41	-46.96	-1	226.257	1.426	1	4	1	Cc1cc2nc(S(=O)(=O)[O-])[nH]c2cc1C
192037655	ZINC000418465047	ref	-0.73	-57.02	1	228.34	-0.025	4	1	5	C[NH+](C)CCNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+]
214190636	ZINC000337633421	ref	7.47	-48.54	1	293.386	2.18	2	2	5	CN(C)C(=O)CC[NH+]1CCC(Nc2ccc(F)cc2)CC1
342595770	ZINC000616964498	ref	3.98	-15.46	0	260.337	1.575	2	2	5	CC[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1
361823477	ZINC000599874754	ref	6.87	-11.71	0	279.34	0.774	0	5	3	COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCn2cc(C)nc2C1
342595771	ZINC000616964533	ref	3.88	-16.0	0	260.337	1.493	2	2	4	Cc1ccccc1[C@H](C)CC(=O)N[C@@H]1CCNC1=O
342595772	ZINC000616964534	ref	3.86	-15.64	0	260.337	1.493	2	2	4	Cc1ccccc1[C@@H](C)CC(=O)N[C@@H]1CCNC1=O
342595773	ZINC000616964527	ref	3.59	-22.22	0	294.376	1.18	2	4	5	CSc1ccc(O[C@@H](C)C(=O)N[C@H]2CCNC2=O)cc1
361823486	ZINC000599874754	low	7.3	-35.54	1	279.34	0.774	0	4	3	COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCn2cc(C)[nH+]c2C1
214190639	ZINC000337633741	ref	5.47	-10.73	0	288.395	3.105	3	2	5	Cc1ccc2[nH]c(CNC(=O)N[C@H](C)CC(C)C)nc2c1
343994991	ZINC000235537334	ref	4.22	-6.65	0	226.073	2.245	0	2	2	C#C[C@H](C)Oc1ncccc1Br
361823492	ZINC000599875023	ref	4.18	-16.07	0	296.323	0.627	0	6	7	COC(=O)[C@H](C)N(C)C(=O)COCc1ccc(OC)nc1
361823500	ZINC000599869578	ref	1.64	-9.46	0	288.307	0.418	2	5	2	CNc1ccc(NC(=O)C(=O)N2CCO[C@@H](C#N)C2)cc1
361823502	ZINC000599874898	ref	1.96	-7.73	0	267.354	0.995	3	4	4	CSCCNC(=O)C(=O)Nc1cccc(N)c1C
361823508	ZINC000599875956	ref	2.1	-14.57	0	260.297	0.934	3	4	3	Cc1c(N)cccc1NC(=O)C(=O)N[C@@H](C)CC#N
361823517	ZINC000599874723	ref	3.2	-14.39	0	294.311	0.087	1	7	8	C=CCOC[C@H](NC(=O)c1cn(C2CC2)nn1)C(=O)OC
361823522	ZINC000599877212	ref	3.93	-11.22	0	287.323	0.347	1	6	4	N#CC1(CNC(=O)c2ccnc(N3CCOCC3)n2)CC1
361823530	ZINC000599876342	ref	4.94	-15.95	0	251.33	0.957	2	3	6	CC(=O)N[C@H](CC(C)C)C(=O)NCC1(C#N)CC1
361823538	ZINC000599867782	ref	8.4	-46.3	1	289.379	0.933	1	3	5	CN(C(=O)CCn1ccccc1=O)[C@@H]1CC[N@@H+](C2CC2)C1
361823543	ZINC000599867782	mid	8.26	-45.11	1	289.379	0.933	1	3	5	CN(C(=O)CCn1ccccc1=O)[C@@H]1CC[N@H+](C2CC2)C1
361823549	ZINC000599867782	high	5.95	-15.37	0	289.379	0.933	0	4	5	CN(C(=O)CCn1ccccc1=O)[C@@H]1CCN(C2CC2)C1
361823557	ZINC000599867704	ref	6.18	-18.65	0	274.328	0.574	1	6	5	CNC(=O)CCN(C)c1ccc2nnc(C3CC3)n2n1
361823566	ZINC000599879494	ref	2.59	-11.95	0	272.308	0.936	3	4	3	Cc1c(N)cccc1NC(=O)C(=O)NCC1(C#N)CC1
365634863	ZINC000313736573	ref	5.73	-59.13	-1	286.372	1.555	1	4	5	COC[C@@]1(C(=O)[O-])CCN(C(=O)NCCC(C)(C)C)C1
365634877	ZINC000565323211	ref	5.93	-12.74	0	273.321	1.547	2	5	3	N#Cc1ccc(C(=O)NC2(c3nc[nH]n3)CCC2)s1
365634889	ZINC000565323211	mid	5.44	-18.55	0	273.321	1.547	2	5	3	N#Cc1ccc(C(=O)NC2(c3nnc[nH]3)CCC2)s1
365634898	ZINC000172901741	ref	4.88	-12.23	0	269.366	1.942	1	4	7	COc1ccccc1O[C@H](C)CNC(=O)CSC
365634914	ZINC000172894425	ref	1.36	-6.87	0	287.306	1.345	1	4	5	COC[C@@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1
365634929	ZINC000172904732	ref	3.45	-12.39	0	282.315	1.781	2	4	7	COc1cc(F)c(NCC(=O)NCC2CC2)cc1OC
365634942	ZINC000172898554	ref	2.99	-8.54	0	274.317	1.219	0	3	2	C[C@H]1CN(S(=O)(=O)N(C)C)c2ccc(F)cc2O1
365634955	ZINC000643089968	ref	4.13	-8.2	0	266.341	1.524	1	3	3	O=C1N[C@@H](C2CCCCC2)C(=O)N1C[C@@H]1CCOC1
365634968	ZINC000643089970	ref	4.52	-8.26	0	266.341	1.524	1	3	3	O=C1N[C@H](C2CCCCC2)C(=O)N1C[C@H]1CCOC1
365634979	ZINC000172896526	ref	7.92	-14.83	0	252.343	1.868	0	6	4	COC[C@H](C)Sc1nc2nc(C)cc(C)n2n1
365634991	ZINC000172903801	ref	6.39	-10.78	0	290.363	1.73	2	4	8	COC(=O)CCc1ccc(NCC(=O)NCC2CC2)cc1
365635004	ZINC000172894874	ref	0.6	-15.11	0	280.292	1.584	1	4	6	C[C@H](CO)S(=O)(=O)Cc1ccccc1OC(F)F
365635013	ZINC000643089967	ref	4.37	-8.56	0	266.341	1.524	1	3	3	O=C1N[C@H](C2CCCCC2)C(=O)N1C[C@@H]1CCOC1
365635025	ZINC000172894429	ref	2.87	-22.29	0	299.392	1.224	1	4	6	CCN(C(=O)[C@@H](C)S(=O)(=O)[C@H](C)CO)c1ccccc1
365635032	ZINC000172893965	ref	1.98	-8.47	0	289.335	1.584	0	6	5	COC[C@@H]1CN(Cc2noc(-c3ccccc3)n2)CCO1
365635046	ZINC000172896629	ref	0.99	-15.46	0	278.287	1.872	2	5	6	CCCc1nc(CNc2ccc(C(N)=O)c(F)c2)no1
365635058	ZINC000172895104	ref	-0.03	-24.76	0	291.756	1.074	2	4	5	C[C@@H](CO)S(=O)(=O)CC(=O)Nc1cccc(Cl)c1
365635069	ZINC000565314897	ref	3.69	-10.32	0	281.312	1.738	1	6	4	CC(C)Oc1nc(N2CC[C@](C)(O)C2)ccc1[N+](=O)[O-]
214185323	ZINC000293572953	ref	3.61	-14.87	0	363.414	0.973	1	5	6	CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[C@@H]1COC
365635079	ZINC000172902448	ref	1.77	-10.44	0	276.296	1.011	2	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1cn[nH]n1
365635088	ZINC000172902448	mid	1.84	-11.47	0	276.296	1.011	2	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1cnn[nH]1
365635094	ZINC000172902448	high	1.59	-41.95	-1	276.296	1.011	1	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1c[n-]nn1
365634868	ZINC000617431073	ref	4.13	-26.61	0	293.371	0.952	2	5	4	C[C@@H]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c2ncnn21
214185328	ZINC000293576429	ref	2.74	-17.83	0	363.395	0.147	3	6	3	COC(=O)[C@@]1(NC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CCSC1
398249097	ZINC000651462281	ref	3.57	-8.66	0	268.719	3.021	2	3	5	OC[C@@H](CCF)Nc1ccnc2cc(Cl)ccc12
398249101	ZINC000651462281	mid	4.0	-34.66	1	268.719	3.021	2	2	5	OC[C@@H](CCF)Nc1cc[nH+]c2cc(Cl)ccc12
365634878	ZINC000617425562	ref	3.02	-21.63	0	259.269	0.814	2	5	2	C[C@@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ncnn21
342595774	ZINC000616964535	ref	3.88	-15.51	0	260.337	1.493	2	2	4	Cc1ccccc1[C@H](C)CC(=O)N[C@H]1CCNC1=O
365634885	ZINC000617429905	ref	6.78	-25.99	0	298.31	0.46	1	8	2	Cc1ccnc2nc(C(=O)N[C@@H]3C[C@@H](C)n4ncnc43)nn12
185386261	ZINC000096749577	ref	5.61	-60.62	-1	315.354	2.05	2	5	5	O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1cscn1
342595775	ZINC000616964492	ref	3.53	-17.46	0	280.755	1.622	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1cccc(Cl)c1
342595776	ZINC000616964514	ref	4.66	-15.4	0	274.364	1.883	2	2	5	CC[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccc(C)cc1
365634887	ZINC000617424743	ref	2.28	-15.99	0	252.318	0.809	2	5	4	CC[C@](C)(CO)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365634894	ZINC000617426783	ref	5.77	-25.8	0	291.355	0.803	1	5	3	C[C@H]1C[C@H](NC(=O)CN2CCCCCC2=O)c2ncnn21
365634903	ZINC000617425561	ref	3.01	-21.1	0	259.269	0.814	2	5	2	C[C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)c2ncnn21
365634908	ZINC000617430422	ref	3.29	-22.38	0	259.269	0.814	2	5	2	C[C@@H]1C[C@H](NC(=O)c2ccc[nH]c2=O)c2ncnn21
365634915	ZINC000617426465	ref	4.82	-17.03	0	287.327	0.715	1	7	4	C[C@H]1C[C@H](NC(=O)c2cn(CC3CC3)nn2)c2ncnn21
365634921	ZINC000617425406	ref	4.6	-23.73	0	277.328	0.124	1	5	3	C[C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2C(=O)N(C)C)c2ncnn21
365634928	ZINC000617425236	ref	6.85	-24.67	0	298.31	0.46	1	8	2	Cc1cnc2nc(C(=O)N[C@@H]3C[C@H](C)n4ncnc43)nn2c1
259308298	ZINC000394131104	ref	6.61	-37.19	1	247.382	3.197	2	1	4	Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)c1
342595777	ZINC000616964515	ref	4.66	-16.23	0	274.364	1.883	2	2	5	CC[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccc(C)cc1
342595778	ZINC000616964430	ref	3.61	-20.9	0	288.347	1.626	2	3	4	O=C(N[C@H]1CCNC1=O)c1cccc(OC2CCCC2)c1
342595779	ZINC000616964494	ref	3.53	-16.67	0	280.755	1.622	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1cccc(Cl)c1
214185329	ZINC000278485939	ref	9.77	-41.62	1	321.486	3.429	1	3	7	COc1cccc(C[N@H+](C[C@@H]2CCSC2)C[C@@H]2CCCO2)c1
214185332	ZINC000278485939	mid	9.78	-40.88	1	321.486	3.429	1	3	7	COc1cccc(C[N@@H+](C[C@@H]2CCSC2)C[C@@H]2CCCO2)c1
365634881	ZINC000576594397	ref	2.83	-36.09	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@@H+]1CCN(C)[C@@H](C)[C@H]1C
299072208	ZINC000354602359	ref	0.65	-17.39	0	336.392	0.789	3	4	7	COC[C@@H](C(N)=O)N(C)C(=O)c1ccc(NC(=O)NC(C)C)cc1
342079018	ZINC000625300318	ref	3.1	-45.34	1	268.357	1.608	3	4	6	Cc1noc(C)c1[C@H](C)[NH2+]C[C@H](O)CC1(O)CCC1
342079019	ZINC000625300318	mid	2.02	-7.35	0	268.357	1.608	3	5	6	Cc1noc(C)c1[C@H](C)NC[C@H](O)CC1(O)CCC1
342079020	ZINC000625299942	ref	4.09	-46.86	1	283.328	1.211	2	3	6	O=S(=O)(CCc1ccccc1F)NCc1c[nH]cn1
398249102	ZINC000367013592	low	1.39	-40.5	1	222.235	-0.176	2	2	4	CCN(CCO)C(=O)[C@@H]1CC(F)(F)C[NH2+]1
342079021	ZINC000625299942	mid	4.08	-46.92	1	283.328	1.211	2	3	6	O=S(=O)(CCc1ccccc1F)NCc1cnc[nH]1
178302017	ZINC000237194010	ref	3.91	-55.95	1	360.52	1.064	1	4	8	COCCCN(C(=O)C[C@@H](C)C1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1
178302019	ZINC000237194013	ref	4.26	-46.88	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1
178302020	ZINC000237194013	mid	6.6	-91.91	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1
178302022	ZINC000237188415	ref	2.05	-54.45	1	364.183	1.387	2	3	6	COc1cc(I)c(C(=O)NCCC[NH3+])cc1OC
178302023	ZINC000237197961	ref	5.21	-53.45	1	355.236	1.241	2	3	4	C[NH2+]CC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1
192037656	ZINC000418465047	high	-0.73	-57.02	1	228.34	-0.025	3	2	5	CN(C)CCNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+]
214185339	ZINC000278485139	ref	8.96	-19.15	0	322.315	2.646	2	4	3	CC1(C)CC[C@H](C(=O)Nc2n[nH]c(-c3c(F)cccc3F)n2)O1
214185340	ZINC000278485139	low	9.0	-16.32	0	322.315	2.646	2	4	3	CC1(C)CC[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)O1
214185344	ZINC000278485139	high	8.94	-61.84	-1	322.315	2.646	1	4	3	CC1(C)CC[C@H](C(=O)Nc2nnc(-c3c(F)cccc3F)[n-]2)O1
214185346	ZINC000278485139	high	8.88	-63.0	-1	322.315	2.646	1	4	3	CC1(C)CC[C@H](C(=O)Nc2nc(-c3c(F)cccc3F)n[n-]2)O1
214185349	ZINC000278485139	high	8.85	-63.02	-1	322.315	2.646	1	4	3	CC1(C)CC[C@H](C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)O1
214185357	ZINC000278485565	ref	5.17	-11.15	0	305.407	2.105	2	5	6	CSCCC(=O)N[C@H](C)c1nc(-c2cc(C)ccn2)n[nH]1
214185331	ZINC000293575593	ref	2.68	-11.32	0	373.5	0.694	0	7	3	Cc1cnc(N2CCN(C(=O)C3(S(C)(=O)=O)CCOCC3)CC2)s1
343993950	ZINC000599270410	mid	7.8	-50.19	1	283.343	1.614	2	3	8	CCOC(=O)C[C@H](O)C[N@@H+](C)CCc1ccc(F)cc1
214185336	ZINC000293575363	ref	1.9	-12.52	0	364.431	0.467	1	8	5	CCc1ncsc1NC(=O)C(=O)N1CCc2c(nnn2CCOC)C1
214185341	ZINC000293581119	ref	2.41	-12.05	0	366.368	0.899	0	6	5	N#Cc1ccc(O[C@H]2CCN(C(=O)[C@H]3COCCN3CC(F)F)C2)nc1
214185345	ZINC000293583256	ref	3.7	-45.17	1	361.45	0.276	3	7	8	Cc1c(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)nnn1-c1ccn(C)n1
214185351	ZINC000293583256	mid	4.13	-42.07	1	361.45	0.276	3	7	8	Cc1c(C(=O)NCCCC[N@H+]2CCC[C@@H]2CO)nnn1-c1ccn(C)n1
214185355	ZINC000293582926	ref	0.81	-27.08	0	353.444	0.137	3	4	7	C[C@@H]1CC(=O)N[C@H](C(=O)NCCS(=O)(=O)NCc2ccccc2)C1
214185359	ZINC000293579636	ref	1.48	-48.38	1	374.441	0.318	5	4	6	C[C@@]1(c2ccc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)cc2)NC(=O)NC1=O
214185363	ZINC000293579636	high	-0.83	-12.96	0	374.441	0.318	4	5	6	C[C@@]1(c2ccc(C(=O)N[C@H](CO)CN3CCCCC3)cc2)NC(=O)NC1=O
398249105	ZINC000651463775	ref	7.36	-7.4	0	254.333	3.414	1	3	4	c1ccc([C@@H]2CC[C@@H](CNc3ccccn3)O2)cc1
197593037	ZINC000162800000	ref	10.58	-47.42	-1	309.416	2.349	0	7	7	CSCCc1nnc(SCC(=O)[O-])n1-c1ccccc1
214185365	ZINC000293574532	ref	0.64	-20.04	0	366.805	0.66	3	6	5	NC(=O)[C@H](CO)NC(=O)C1CCN(c2noc3ccc(Cl)cc23)CC1
342079022	ZINC000625299942	low	4.09	-46.86	1	283.328	1.211	2	2	6	O=S(=O)(CCc1ccccc1F)NCc1c[nH+]c[nH]1
342079023	ZINC000625299942	low	4.08	-46.92	1	283.328	1.211	2	2	6	O=S(=O)(CCc1ccccc1F)NCc1c[nH]c[nH+]1
214185379	ZINC000293584588	ref	2.9	-16.07	0	372.443	0.766	1	6	9	CCOC(=O)c1cc(COC)cc(S(=O)(=O)N(C)CCC(=O)NC)c1
214185383	ZINC000293577147	ref	0.25	-18.1	0	350.415	0.583	4	5	7	COc1ccc(C[C@@H](CO)CNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc1O
398249109	ZINC000651463775	low	7.84	-29.65	1	254.333	3.414	1	2	4	c1ccc([C@@H]2CC[C@@H](CNc3cccc[nH+]3)O2)cc1
342079024	ZINC000625299929	ref	3.15	-45.37	1	271.367	1.133	2	4	6	O=S(=O)(CCc1cccs1)NCc1c[nH]cn1
342079025	ZINC000625299929	mid	3.14	-45.56	1	271.367	1.133	2	4	6	O=S(=O)(CCc1cccs1)NCc1cnc[nH]1
168364831	ZINC000122611292	mid	6.63	-26.46	1	207.321	2.942	1	2	5	CCC(CC)CNc1cc(C)[nH+]c(C)n1
365634893	ZINC000576594397	mid	3.0	-36.53	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@H+]1CCN(C)[C@@H](C)[C@H]1C
365634897	ZINC000576594397	mid	0.83	-8.62	0	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@H+](C)[C@@H](C)[C@H]1C
178302025	ZINC000237197961	high	3.78	-13.71	0	355.236	1.241	2	4	4	CNCC(=O)N1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1
365634900	ZINC000576594397	mid	3.0	-36.53	1	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@@H+](C)[C@@H](C)[C@H]1C
178302026	ZINC000237189307	ref	3.08	-52.82	1	354.575	1.642	2	2	4	COc1cc(I)c(Cl)cc1C(=O)NCC[NH3+]
365634909	ZINC000576594397	high	0.83	-8.62	0	227.352	0.537	1	3	4	CNC(=O)CCCN1CCN(C)[C@@H](C)[C@H]1C
365634916	ZINC000576597200	ref	-0.12	-11.51	0	229.32	0.672	3	3	5	CC(C)[C@@H](NC(=O)CO)C1(CO)CCCC1
343993951	ZINC000599270410	high	5.42	-9.99	0	283.343	1.614	1	4	8	CCOC(=O)C[C@H](O)CN(C)CCc1ccc(F)cc1
365634924	ZINC000576595670	ref	0.89	-20.62	0	219.244	0.214	3	3	4	O=C(CO)NCCc1ccc2n[nH]cc2c1
365634934	ZINC000576595480	ref	6.89	-33.64	1	212.337	1.583	1	1	4	CCN(C(=O)[C@@H](C)[NH+]1CC(C)C1)C(C)C
178302029	ZINC000237195003	ref	1.64	-15.81	0	373.482	1.171	2	6	5	CN1CCN(C(=O)Cc2ccc(NC(=O)c3csc(CN)n3)cc2)CC1
365634937	ZINC000576595480	mid	3.7	-8.63	0	212.337	1.583	0	2	4	CCN(C(=O)[C@@H](C)N1CC(C)C1)C(C)C
178302030	ZINC000237195003	mid	2.04	-59.78	1	373.482	1.171	2	5	5	CN1CCN(C(=O)Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CC1
185088818	ZINC000096073008	ref	7.9	-38.77	1	298.39	2.343	2	3	3	c1cncc([C@H]2COC3(CC[NH+](Cc4c[nH]cn4)CC3)C2)c1
185088820	ZINC000096073008	mid	7.86	-44.16	1	298.39	2.343	2	3	3	c1cncc([C@H]2COC3(CC[NH+](Cc4cnc[nH]4)CC3)C2)c1
178302031	ZINC000237195003	low	4.39	-104.22	2	373.482	1.171	3	4	5	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CC1
365634946	ZINC000576594062	ref	2.24	-108.71	2	247.342	1.097	2	1	2	C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1
365634954	ZINC000576592686	ref	6.85	-8.18	0	227.323	2.773	0	1	2	CC(C)(C(=O)N1CCC[C@@H](F)C1)C1CCC1
185386262	ZINC000096751673	ref	4.2	-92.56	0	318.782	1.677	2	5	7	COc1cc(NC(=O)CSCC[NH3+])c(Cl)cc1C(=O)[O-]
365634965	ZINC000576593654	ref	1.94	-92.36	2	237.347	0.326	2	1	2	CC1(C(=O)N2CC3CCC2(C[NH3+])CC3)C[NH2+]C1
349534786	ZINC000602430759	mid	8.6	-43.0	1	238.331	1.954	1	3	5	COC(=O)[C@@H]1CCCC[N@H+]1C[C@H](C)CCC#N
365634974	ZINC000576594711	ref	2.87	-11.01	0	238.331	1.194	2	2	6	CCCC1(CNC(=O)[C@@H]2CC[C@H]2C(N)=O)CC1
412491579	ZINC000594334904	mid	2.47	-54.04	1	323.353	0.101	3	6	4	CC(C)(CO)[NH+]1CCN(C(=O)c2ccnc(N)c2[N+](=O)[O-])CC1
342595780	ZINC000616964490	ref	3.12	-21.82	0	282.727	1.032	2	3	4	Cc1c(Cl)cccc1OCC(=O)N[C@H]1CCNC1=O
342595781	ZINC000616964431	ref	3.61	-20.94	0	288.347	1.626	2	3	4	O=C(N[C@@H]1CCNC1=O)c1cccc(OC2CCCC2)c1
168364833	ZINC000034924620	ref	4.52	-38.16	1	199.338	2.565	1	1	3	C[C@@H]([NH3+])CO[C@H]1C[C@H](C)CC(C)(C)C1
168364834	ZINC000011570830	ref	2.25	-44.11	1	136.198	0.971	1	1	2	C[C@@H]([NH3+])Cc1ccncc1
342600529	ZINC000616999781	low	6.96	-80.89	2	278.4	1.579	3	1	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCc2c[nH+]c[nH]2)C1
282122519	ZINC000331376772	high	5.14	-10.32	0	349.475	1.124	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC=CCC3)C2)CCO1
185088821	ZINC000096073008	low	8.38	-105.97	2	298.39	2.343	2	2	3	c1cncc([C@H]2COC3(CC[NH+](Cc4c[nH+]c[nH]4)CC3)C2)c1
185088823	ZINC000096073008	high	5.65	-11.48	0	298.39	2.343	1	4	3	c1cncc([C@H]2COC3(CCN(Cc4c[nH]cn4)CC3)C2)c1
214185350	ZINC000337623072	ref	3.31	-9.34	0	276.308	3.03	2	3	4	O=C(Nc1ccsc1)N[C@H]1CCC[C@@H]1OC(F)F
185088825	ZINC000096073008	high	5.6	-9.49	0	298.39	2.343	1	4	3	c1cncc([C@H]2COC3(CCN(Cc4cnc[nH]4)CC3)C2)c1
136229221	ZINC000232465965	mid	6.14	-37.65	1	230.355	1.885	2	1	3	c1ccc2c(c1)CC[C@H](NC[C@H]1CCC[NH2+]1)C2
342600530	ZINC000616999781	low	6.97	-81.27	2	278.4	1.579	3	1	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1
185088827	ZINC000096074058	ref	7.26	-39.3	1	294.42	2.213	1	3	4	COCC[N@@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1
361823493	ZINC000035781363	ref	7.96	-47.66	-1	278.297	2.264	0	7	4	CCn1cc([N-]c2nc3sccn3c2[N+](=O)[O-])cn1
136229222	ZINC000292813813	ref	7.65	-30.07	1	234.343	2.365	1	2	6	C=CCOCC[N@H+]1CCC[C@H]1c1cccn1C
168364836	ZINC000019392015	ref	1.72	-39.25	1	173.256	0.919	1	2	4	C[C@@H]([NH3+])COC[C@@H]1CCCCO1
136229223	ZINC000292813813	mid	8.64	-30.31	1	234.343	2.365	1	2	6	C=CCOCC[N@@H+]1CCC[C@H]1c1cccn1C
136229224	ZINC000292813813	high	6.22	-4.56	0	234.343	2.365	0	3	6	C=CCOCCN1CCC[C@H]1c1cccn1C
168364838	ZINC000044461015	ref	2.46	-47.87	1	190.25	0.858	1	3	2	C[C@@H]([NH3+])Cc1ccc2c(c1)nnn2C
214185352	ZINC000337622094	ref	5.03	-7.08	0	278.661	3.398	2	1	3	O=C(Nc1cc(F)cc(Cl)c1)NC1(C(F)F)CC1
361823507	ZINC000035781363	mid	8.38	-14.49	0	278.297	2.264	1	8	4	CCn1cc(Nc2nc3sccn3c2[N+](=O)[O-])cn1
361823514	ZINC000035809183	ref	5.03	-16.35	0	292.379	2.465	2	3	5	Cc1cc(C(=O)NCCC(=O)NC2CCCCC2)c(C)o1
361823526	ZINC000035786493	ref	3.64	-10.15	0	283.118	2.124	0	3	4	O=S(=O)(OCCF)c1ccc(Br)cc1
349534787	ZINC000621491660	ref	6.93	-8.51	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2CC[C@@H](C)C[C@H]2C)c1
365634901	ZINC000623067788	ref	2.71	-58.84	1	311.407	1.306	2	3	3	C[NH2+]C1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)CC1
349534793	ZINC000621492570	ref	7.75	-13.11	0	298.308	3.327	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CC[C@@H]1c1ccc(F)cc1
349534798	ZINC000621493617	ref	7.83	-8.89	0	250.386	3.007	1	1	3	CC1(C)CC[C@@H](NC(=O)N2CC(CC3CC3)C2)C1
398249106	ZINC000650870862	ref	4.77	-10.83	0	274.311	1.854	1	2	2	C[C@]1(CNC(=O)N2CC[C@]3(C2)CC3(F)F)CCOC1
365634911	ZINC000623066720	ref	2.71	-49.87	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)no1
349534802	ZINC000621493667	ref	9.13	-11.58	0	296.361	3.224	1	1	6	Cc1ccccc1CCN(C)C(=O)NCC[C@H]1CC1(F)F
349534807	ZINC000621490604	ref	4.93	-16.51	0	298.346	3.143	1	4	3	CC1(C)CN(C(=O)Nc2ccc(Oc3cccnn3)cc2)C1
190493679	ZINC000269432470	ref	6.15	-18.49	0	274.364	2.207	1	2	6	C=CC(=O)NCCC(=O)N(C)[C@@H](C)c1ccc(C)cc1
365634922	ZINC000623066887	ref	3.26	-48.47	1	312.439	1.631	1	5	6	CC(C)c1nnc(C(=O)N2CCC(OCCC[NH3+])CC2)s1
349534812	ZINC000621492721	ref	8.5	-9.74	0	286.366	3.253	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@H](C2CCC2)C1
398249111	ZINC000650875328	ref	4.8	-10.66	0	298.427	1.994	2	3	5	COC[C@H]1C[C@@H](O)CN1C(=O)NCC[C@@H]1CCCC[C@H]1C
398249116	ZINC000650870840	ref	1.73	-9.94	0	296.342	1.32	3	3	6	O=C(NC[C@H]1OCCc2ccccc21)N[C@H](CO)CCF
342079026	ZINC000625299929	low	3.15	-45.37	1	271.367	1.133	2	3	6	O=S(=O)(CCc1cccs1)NCc1c[nH+]c[nH]1
214185356	ZINC000337622759	ref	6.02	-9.1	0	264.36	2.468	0	2	9	CCCC[C@H](C)C(=O)N(C)CCN(C)CC(F)F
342079027	ZINC000625299929	low	3.14	-45.56	1	271.367	1.133	2	3	6	O=S(=O)(CCc1cccs1)NCc1c[nH]c[nH+]1
342079028	ZINC000625300316	ref	3.19	-45.81	1	268.357	1.608	3	4	6	Cc1noc(C)c1[C@@H](C)[NH2+]C[C@H](O)CC1(O)CCC1
342079029	ZINC000625300316	mid	2.17	-8.34	0	268.357	1.608	3	5	6	Cc1noc(C)c1[C@@H](C)NC[C@H](O)CC1(O)CCC1
342079030	ZINC000625298234	ref	3.68	-12.81	0	278.356	1.387	1	3	0	C[C@H]1CN(C(=O)N2CCCc3n[nH]cc3C2)C[C@@H](C)O1
342079031	ZINC000625300317	ref	1.82	-45.16	1	268.357	1.608	3	4	6	Cc1noc(C)c1[C@H](C)[NH2+]C[C@@H](O)CC1(O)CCC1
342079032	ZINC000625300317	mid	0.67	-7.71	0	268.357	1.608	3	5	6	Cc1noc(C)c1[C@H](C)NC[C@@H](O)CC1(O)CCC1
342079033	ZINC000625300320	ref	1.9	-45.83	1	268.357	1.608	3	4	6	Cc1noc(C)c1[C@@H](C)[NH2+]C[C@@H](O)CC1(O)CCC1
342079034	ZINC000625300320	mid	0.82	-8.75	0	268.357	1.608	3	5	6	Cc1noc(C)c1[C@@H](C)NC[C@@H](O)CC1(O)CCC1
349534788	ZINC000618813877	ref	6.37	-13.6	0	294.742	1.506	0	5	5	CN(Cc1cn(C)nn1)C(=O)COc1ccc(Cl)cc1
398249108	ZINC000367203228	ref	3.1	-41.98	1	212.293	0.376	1	2	3	CCCCC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21
349534792	ZINC000618812716	ref	5.85	-13.87	0	295.346	1.778	2	4	3	Cn1ccnc1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21
398249114	ZINC000367013591	ref	0.06	-8.88	0	222.235	-0.176	2	3	4	CCN(CCO)C(=O)[C@H]1CC(F)(F)CN1
349534795	ZINC000618812716	low	6.33	-39.62	1	295.346	1.778	2	3	3	Cn1cc[nH+]c1CNC(=O)N[C@H]1CCc2cc(C#N)ccc21
398249117	ZINC000367013591	low	1.13	-40.41	1	222.235	-0.176	2	2	4	CCN(CCO)C(=O)[C@H]1CC(F)(F)C[NH2+]1
398249121	ZINC000367276621	ref	1.37	-41.1	1	241.335	0.017	3	2	5	CC(=O)NCCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C
178302040	ZINC000033373845	ref	6.08	-7.09	0	201.233	3.132	0	3	1	Cc1cc2nc(N=[N+]=[N-])n(C)c2cc1C
214725021	ZINC000338696070	ref	9.04	-43.07	1	269.392	3.055	1	2	7	C[C@H]([NH2+]CCCn1cccn1)[C@H]1C[C@H]1c1ccccc1
349534800	ZINC000618814201	ref	5.48	-13.05	0	282.706	1.88	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Cl)cc1F
178302043	ZINC000040308816	ref	6.33	-11.21	0	246.354	3.192	1	3	4	Cc1cc2nc(CO)n(CCC(C)C)c2cc1C
398249128	ZINC000366683170	ref	5.71	-32.95	1	227.348	2.101	1	2	5	CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC)[C@@]12CCCO2
398249133	ZINC000367347994	ref	1.04	-96.71	2	203.261	-0.589	3	1	4	C[NH2+][C@@H](C)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1
398249135	ZINC000367347994	high	-0.35	-44.41	1	203.261	-0.589	3	2	4	C[NH2+][C@@H](C)CNC(=O)[C@H]1C[C@H](F)CN1
398249140	ZINC000366735309	ref	1.37	-43.84	-1	229.232	-0.475	1	5	1	O=C([O-])C(=O)N[C@@H]1CCO[C@]2(CCOC2)C1
398249145	ZINC000367024061	ref	1.87	-53.6	-1	243.231	-0.012	0	4	2	CS(=O)(=O)N1CCC(F)(F)[C@@H](C(=O)[O-])C1
412491582	ZINC000579362695	ref	3.33	-9.83	0	324.385	-0.309	2	8	6	COC[C@H](NC(=O)c1nc(N)nc(N2CCOCC2)n1)C(C)C
178302057	ZINC000015441976	ref	4.54	-9.23	0	207.664	2.482	1	3	0	Cc1cc2nc(Cl)nc(N)c2cc1C
398249157	ZINC000367024064	ref	1.82	-53.39	-1	243.231	-0.012	0	4	2	CS(=O)(=O)N1CCC(F)(F)[C@H](C(=O)[O-])C1
178302063	ZINC000013638843	ref	8.79	-7.47	0	203.27	2.806	1	3	0	Cc1cc2[nH]c(=NC#N)sc2cc1C
342079035	ZINC000625299440	ref	1.4	-11.21	0	266.345	1.197	2	5	6	CNC(=O)[C@@H](NCc1noc(C2CCC2)n1)C(C)C
342079036	ZINC000625300308	ref	5.83	-49.24	1	286.379	1.725	1	4	6	Cn1cc(CC[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)nn1
342079037	ZINC000625299152	ref	3.98	-49.95	1	283.328	1.477	2	3	5	Cc1ccc(CS(=O)(=O)NCc2c[nH]cn2)cc1F
342595782	ZINC000616965198	ref	3.76	-15.64	0	252.358	1.598	2	2	5	CC[C@@H](CC1CCCC1)C(=O)N[C@H]1CCNC1=O
282122520	ZINC000331775064	ref	6.49	-41.53	1	323.437	0.567	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCO1
342595783	ZINC000364819195	ref	0.78	-14.23	0	299.33	1.502	3	5	3	O=C(N[C@H]1CCN(c2cccnc2)C1)c1cccc(O)c1O
342595784	ZINC000364819195	high	1.84	-55.75	-1	299.33	1.502	2	5	3	O=C(N[C@H]1CCN(c2cccnc2)C1)c1cccc(O)c1[O-]
342595785	ZINC000616973306	ref	4.12	-18.02	0	258.321	1.103	2	2	3	Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCNC2=O)cc1
342595786	ZINC000616973347	ref	4.35	-18.25	0	272.348	1.421	2	2	3	Cc1ccc(C2(C(=O)N[C@@H]3CCNC3=O)CCC2)cc1
365634925	ZINC000336551755	mid	5.08	-7.36	0	273.38	2.089	0	3	1	Cc1cc(C(=O)N2C[C@@H]3CCCCN3C[C@H]2C)ccn1
342595787	ZINC000616965103	ref	3.96	-37.41	1	289.379	1.074	3	2	6	CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
197593062	ZINC000162808416	ref	7.33	-37.45	1	311.389	2.285	3	3	5	O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@@H](C1CC1)[NH+]1CCCC1
197593063	ZINC000162808416	mid	4.74	-9.56	0	311.389	2.285	2	4	5	O=C(Nc1cc(-c2cccnc2)[nH]n1)[C@@H](C1CC1)N1CCCC1
342595788	ZINC000616965103	mid	2.0	-14.59	0	289.379	1.074	2	3	6	CCN(CC)[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
342595789	ZINC000616973342	ref	3.36	-17.14	0	264.35	1.173	2	3	5	O=C(CCSc1ccccc1)N[C@H]1CCNC1=O
197593070	ZINC000162807490	ref	4.8	-14.28	0	307.39	2.002	1	4	5	COc1cccc([C@H]2CN(C(=O)C[C@@H](O)C(C)C)CCO2)c1
365634932	ZINC000336551104	ref	5.9	-15.12	0	299.802	2.179	0	4	3	CO[C@H]1CCN(C(=O)Cn2nc(C)c(Cl)c2C)[C@H](C)C1
365634941	ZINC000336551331	ref	5.46	-6.7	0	293.392	2.045	1	4	2	CCc1csc(NC(=O)C(=O)N2CC[C@@H]3CCC[C@H]32)n1
342595790	ZINC000616973369	ref	2.36	-15.63	0	293.392	1.809	2	4	3	O=C(N[C@H]1CCNC1=O)c1csc(C2CCCCC2)n1
282122521	ZINC000331775064	high	3.93	-10.19	0	323.437	0.567	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]3CCC[C@@H]32)CCO1
185088829	ZINC000096074058	mid	7.17	-42.01	1	294.42	2.213	1	3	4	COCC[N@H+]1CCC[C@]2(CCN(c3ccsc3)C2=O)C1
342595791	ZINC000616965138	ref	0.44	-18.3	0	277.305	1.021	2	5	3	O=C(N[C@H]1CCNC1=O)c1cnc(-c2ccco2)s1
185088831	ZINC000096072209	ref	5.75	-41.1	1	251.33	0.8	1	4	3	CO[C@@H]1CO[C@]2(CC[N@H+](Cc3cncn3C)C2)C1
259308300	ZINC000180697454	ref	6.4	-6.2	0	209.333	2.872	1	1	2	C[C@@H]1C[C@@H]1NC(=O)C1(C)CCCCCC1
365634930	ZINC000623066721	ref	2.71	-50.55	1	308.382	1.068	1	5	4	COCc1nc(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)no1
365634940	ZINC000623067719	ref	2.89	-54.59	1	302.403	1.809	2	4	2	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc2cccnc2s1
365634950	ZINC000623067376	ref	4.13	-58.48	1	324.182	1.053	1	4	1	C[C@H]1[C@H]([NH3+])CCN1C(=O)c1nc2ccc(Br)cn2n1
365634959	ZINC000623067305	ref	5.12	-74.58	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@H](C[NH3+])C[C@@H]1C
398249110	ZINC000649443205	ref	3.96	-43.98	1	223.703	2.209	2	1	2	OCc1ccc(C2=CC[NH2+]CC2)cc1Cl
178302035	ZINC000237184058	ref	3.44	-52.98	1	360.863	1.922	2	4	5	COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1
365634967	ZINC000623067004	ref	4.84	-61.96	1	314.393	1.748	3	4	4	C[C@H]([NH3+])[C@H](C)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365634975	ZINC000623067303	ref	5.1	-74.6	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C
178302036	ZINC000237189760	ref	2.6	-12.29	0	354.248	1.142	2	3	6	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H](N)CC(N)=O
178302038	ZINC000237189760	mid	2.95	-39.84	1	354.248	1.142	2	2	6	CN(CC1(c2ccc(Br)cc2)CC1)C(=O)[C@H]([NH3+])CC(N)=O
214185367	ZINC000053476973	ref	9.14	-10.16	0	333.395	2.261	1	5	5	O=C(N[C@H]1CCc2ccccc21)[C@H](Cc1ccccc1)n1cnnn1
178302039	ZINC000237196042	ref	6.96	-42.76	1	355.28	1.982	1	3	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2N(C)C)C1
365634984	ZINC000623066895	ref	5.89	-46.47	1	312.373	1.17	1	4	4	CCn1cc(C(=O)C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cn1
365634989	ZINC000623066895	high	5.29	-9.21	0	312.373	1.17	1	5	4	CCn1cc(C(=O)C(=O)N2CCc3ccccc3[C@@H]2CN)cn1
365634997	ZINC000623067386	ref	2.82	-52.93	1	307.398	1.121	2	4	4	COCCn1cc(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cn1
365635003	ZINC000623067717	ref	3.3	-54.18	1	302.403	1.809	2	4	2	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc2cccnc2s1
365635011	ZINC000623067697	ref	4.33	-55.21	1	323.393	1.928	2	4	5	C[NH2+]C1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)CC1
178302041	ZINC000237194216	ref	5.73	-45.51	1	354.248	1.846	2	2	4	C[NH2+]CC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1
178302042	ZINC000237194216	high	4.28	-11.81	0	354.248	1.846	2	3	4	CNCC(=O)N1CCC(C(=O)Nc2ccccc2Br)CC1
365635019	ZINC000623067610	ref	1.58	-69.32	1	311.407	1.291	2	3	3	C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
398249115	ZINC000649443122	ref	7.98	-48.07	1	227.307	2.656	1	1	3	O=C(c1ccc(C2=CC[NH2+]CC2)cc1)C1CC1
365634936	ZINC000617424828	ref	3.81	-16.62	0	258.285	0.812	1	6	2	Cc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)nn1
398249113	ZINC000651465069	ref	4.26	-7.98	0	284.425	3.293	1	4	7	CCCC(C)(C)C(=O)NCc1csc([C@H](C)OC)n1
342595792	ZINC000616965035	ref	3.28	-17.91	0	280.755	1.622	2	2	3	CC(C)(C(=O)N[C@@H]1CCNC1=O)c1ccccc1Cl
365634943	ZINC000617425577	ref	3.75	-17.61	0	250.302	0.561	2	5	3	C[C@@H]1C[C@@H](NC(=O)[C@@H](O)C2CCC2)c2ncnn21
365634953	ZINC000617428573	ref	3.49	-17.16	0	279.344	0.562	2	5	3	C[C@@H]1C[C@H](NC(=O)CNC(=O)C(C)(C)C)c2ncnn21
282122522	ZINC000351759163	ref	5.34	-81.78	2	340.468	-0.236	3	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1
342595793	ZINC000590781547	ref	5.88	-8.55	0	285.347	1.968	2	3	4	Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@H](C)C2CC2)c1
214185368	ZINC000278486393	ref	7.81	-44.1	1	302.418	2.437	2	2	4	C[C@H]1COCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1
282122523	ZINC000351759163	high	2.86	-41.4	1	340.468	-0.236	2	4	4	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1
342595794	ZINC000616965234	ref	3.31	-18.45	0	290.363	1.269	2	3	5	COc1ccccc1CC(C)(C)C(=O)N[C@@H]1CCNC1=O
197593059	ZINC000290091906	ref	7.51	-7.42	0	280.331	2.858	0	5	3	Cc1cccc(C2(c3noc(-c4ccnn4C)n3)CC2)c1
342595795	ZINC000616973327	ref	2.48	-19.42	0	298.289	1.225	2	3	6	O=C(CCc1cccc(OC(F)F)c1)N[C@@H]1CCNC1=O
342595796	ZINC000616965259	ref	4.81	-18.71	0	292.404	1.808	2	3	5	CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H]1CCNC1=O
342595797	ZINC000616965049	ref	3.78	-15.46	0	266.385	1.844	2	2	3	C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCNC2=O)CC(C)(C)C1
342595798	ZINC000616965101	ref	3.98	-43.33	1	289.379	1.074	3	2	6	CC[NH+](CC)[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
398249118	ZINC000651465236	ref	5.58	-8.0	0	281.44	3.26	2	2	5	CCC1(CNC(=O)C2CCC(C(C)(C)O)CC2)CCC1
342595799	ZINC000616965101	mid	2.18	-16.87	0	289.379	1.074	2	3	6	CCN(CC)[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
214185374	ZINC000278485148	ref	6.68	-21.0	0	315.398	2.76	1	4	4	Cc1cc(NC(=O)Cc2cccc(N3CCCC3=O)c2)sn1
214185377	ZINC000278484789	ref	0.19	-43.47	-1	309.351	1.057	1	6	5	CCn1nccc1S(=O)(=O)[N-]c1cnccc1NC(C)=O
214185380	ZINC000278484789	mid	-0.01	-14.09	0	309.351	1.057	2	6	5	CCn1nccc1S(=O)(=O)Nc1cnccc1NC(C)=O
214185382	ZINC000278485539	ref	5.88	-46.01	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@@H+](C[C@@H](C)O)C[C@@H]2C)c1
178302044	ZINC000237184335	ref	3.51	-57.4	1	360.863	1.922	2	4	5	COC(=O)c1cc(Cl)cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1
178302046	ZINC000237183730	ref	4.22	-47.53	1	360.863	1.795	2	4	6	COC(=O)c1cc(Cl)cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1
185088833	ZINC000096072209	mid	5.73	-41.57	1	251.33	0.8	1	4	3	CO[C@@H]1CO[C@]2(CC[N@@H+](Cc3cncn3C)C2)C1
282122524	ZINC000332355153	ref	5.35	-45.37	1	315.439	-0.259	1	4	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCCSCC2)CCO1
282122525	ZINC000332355153	high	2.8	-9.96	0	315.439	-0.259	0	5	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCCSCC2)CCO1
282122526	ZINC000343160707	ref	3.7	-44.42	1	296.371	-0.415	2	4	6	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CCO1
185088835	ZINC000096072209	mid	3.27	-8.15	0	251.33	0.8	0	5	3	CO[C@@H]1CO[C@]2(CCN(Cc3cncn3C)C2)C1
178302047	ZINC000237192238	ref	4.08	-53.83	1	356.264	1.541	3	2	8	C[NH2+]C[C@@H](C)C(=O)NCCCNC(=O)c1cccc(Br)c1
178302048	ZINC000237181152	ref	5.75	-55.24	1	356.463	1.693	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(F)cc2)C1
282122527	ZINC000343160707	high	1.21	-12.68	0	296.371	-0.415	1	5	6	CN(C)C[C@@H]1CN(C(=O)C(=O)NCCCCC#N)CCO1
365634947	ZINC000336551443	ref	4.27	-11.49	0	280.393	2.016	2	3	3	CCc1cc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)sc1C
365634958	ZINC000336551861	ref	8.73	-15.47	0	270.336	2.042	1	4	3	CCc1cccc(NC(=O)[C@@H]2CCc3nncn3C2)c1
185088838	ZINC000096072252	ref	3.19	-7.13	0	277.368	1.57	1	4	5	c1cc(CN2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
214185370	ZINC000053477801	ref	8.15	-17.91	0	346.818	2.268	1	4	6	CN(CC(=O)Nc1ccccc1)C(=O)CN(C)c1ccc(Cl)cn1
214185373	ZINC000053481527	ref	9.58	-13.75	0	342.399	3.258	0	5	4	CC[C@H]1CCCN(C(=O)c2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1
365634966	ZINC000336551170	ref	8.95	-15.38	0	298.39	2.148	0	4	2	Cn1cccc1[C@H]1CCCN1C(=O)[C@H]1CCn2ccnc2C1
178302050	ZINC000237197717	ref	4.43	-53.5	1	358.486	1.459	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1
365634972	ZINC000336551170	low	9.42	-39.02	1	298.39	2.148	0	3	2	Cn1cccc1[C@H]1CCCN1C(=O)[C@H]1CCn2cc[nH+]c2C1
178302052	ZINC000237197717	mid	6.77	-98.9	2	358.486	1.459	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1
185088840	ZINC000096072252	mid	5.66	-34.75	1	277.368	1.57	2	3	5	c1cc(C[N@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
365634986	ZINC000336551102	ref	5.95	-14.1	0	299.802	2.179	0	4	3	CO[C@H]1CCN(C(=O)Cn2nc(C)c(Cl)c2C)[C@@H](C)C1
365634960	ZINC000625072777	ref	5.41	-17.28	0	314.455	2.031	1	5	6	CCC(C)(C)CS(=O)(=O)N[C@@H](C)c1nnc2n1CCCC2
282122528	ZINC000328686082	ref	4.29	-42.22	1	324.425	1.204	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCO1
282122529	ZINC000328686082	high	1.83	-10.42	0	324.425	1.204	2	4	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)CCO1
282122530	ZINC000410602828	ref	6.93	-41.45	1	349.406	0.499	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCc3cccc(F)c3C2)CCO1
136229225	ZINC000232466229	ref	3.66	-37.06	1	200.351	1.224	2	2	3	C1CSC[C@@H](NC[C@@H]2CCC[NH2+]2)C1
214185375	ZINC000053492056	ref	6.2	-15.57	0	329.4	2.806	2	3	6	C[C@H](NC(=O)NCCCN1CCCC1=O)c1cc2ccccc2o1
178302054	ZINC000237180073	ref	5.95	-71.82	0	352.412	1.867	1	6	7	Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)N(C)C
342595800	ZINC000616965137	ref	0.44	-18.27	0	277.305	1.021	2	5	3	O=C(N[C@@H]1CCNC1=O)c1cnc(-c2ccco2)s1
342595801	ZINC000616965050	ref	3.85	-15.54	0	266.385	1.844	2	2	3	C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCNC2=O)CC(C)(C)C1
342595802	ZINC000616965221	ref	4.25	-22.22	0	274.32	1.236	2	3	4	O=C(N[C@H]1CCNC1=O)c1ccccc1OC1CCC1
136229226	ZINC000232466229	mid	4.87	-121.8	2	200.351	1.224	2	1	3	C1C[NH2+][C@H](C[NH2+][C@H]2CCCSC2)C1
342595803	ZINC000616964954	ref	4.89	-15.77	0	274.364	1.506	2	2	5	CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCNC1=O
214185378	ZINC000053493221	ref	6.43	-42.79	1	344.459	1.689	3	2	5	NC(=O)C1CCN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC1
214185381	ZINC000053473284	ref	9.31	-7.83	0	348.215	4.397	1	1	3	O=C(NC1(c2ccccc2)CCC1)c1cc(F)ccc1Br
214185384	ZINC000053478129	ref	7.83	-12.65	0	337.372	1.457	1	6	10	CCOC(=O)C(NC(=O)CCCOc1ccccc1)C(=O)OCC
342595804	ZINC000616965140	ref	4.2	-17.38	0	258.321	1.485	2	2	5	O=C(CC/C=C/c1ccccc1)N[C@H]1CCNC1=O
197593075	ZINC000290091398	ref	11.44	-11.62	0	283.379	2.761	0	5	4	C=CCn1c(-c2ccccn2)nnc1N1CC[C@H](C)[C@@H]1C
136229227	ZINC000184917863	ref	7.56	-9.35	0	249.329	3.087	1	1	6	C=C(C)C[C@@H](C)C(=O)NCCc1ccccc1F
214185388	ZINC000053486509	ref	3.1	-18.4	0	328.372	0.836	2	5	5	Cc1nc(-c2cccnc2)[nH]c(=O)c1CC(=O)NC[C@H]1CCOC1
214185391	ZINC000053486509	mid	2.14	-54.42	-1	328.372	0.836	1	5	5	Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)NC[C@H]1CCOC1
214185395	ZINC000053493545	ref	5.25	-17.93	0	339.436	1.966	2	3	6	NC(=O)C1CCN(C(=O)NCCSCc2ccccc2F)CC1
178302055	ZINC000237180073	low	5.95	-71.82	0	352.412	1.867	2	5	7	Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](c1ccco1)[NH+](C)C
214185385	ZINC000278485539	mid	5.57	-46.47	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1
178302056	ZINC000237181191	ref	4.99	-55.98	1	368.499	1.563	1	4	7	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)C1
178302058	ZINC000237191462	ref	1.25	-46.58	1	351.23	1.085	3	4	10	COCC[NH2+]CC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl
398249119	ZINC000286144163	ref	1.61	-16.34	0	228.292	0.303	1	3	9	C=CCOCCCC(=O)N(C)CCC(N)=O
178302059	ZINC000237191462	high	-0.1	-13.0	0	351.23	1.085	3	5	10	COCCNCC(=O)NC[C@@H](O)COc1cccc(Cl)c1Cl
178302060	ZINC000237180419	ref	3.38	-51.23	1	363.487	1.859	1	6	6	C[NH2+]C[C@@H](C)C(=O)N1CCN([C@@H](C)c2nc(-c3cccs3)no2)CC1
214185386	ZINC000278485539	mid	3.24	-10.89	0	309.385	2.053	2	3	3	Cc1cc(F)cc(NC(=O)N2CCN(C[C@@H](C)O)C[C@@H]2C)c1
342079038	ZINC000625299152	mid	3.96	-50.14	1	283.328	1.477	2	3	5	Cc1ccc(CS(=O)(=O)NCc2cnc[nH]2)cc1F
398249126	ZINC000336779454	ref	7.76	-51.39	1	240.376	1.436	1	4	4	C[C@H]([NH2+]Cc1nncn1C)C1CCSCC1
214185389	ZINC000278486033	ref	4.49	-52.24	1	308.422	2.829	3	3	8	CC(C)(C)OC(=O)NCCC[NH2+]CCCc1ccc(O)cc1
398249131	ZINC000336779454	high	6.75	-10.79	0	240.376	1.436	1	5	4	C[C@H](NCc1nncn1C)C1CCSCC1
365634962	ZINC000617426142	ref	3.13	-16.49	0	258.285	0.812	1	6	2	Cc1nccnc1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
342079039	ZINC000625299152	low	3.98	-49.95	1	283.328	1.477	2	2	5	Cc1ccc(CS(=O)(=O)NCc2c[nH+]c[nH]2)cc1F
342079040	ZINC000625299152	low	3.96	-50.14	1	283.328	1.477	2	2	5	Cc1ccc(CS(=O)(=O)NCc2c[nH]c[nH+]2)cc1F
342079041	ZINC000625299236	ref	2.57	-49.48	1	281.337	1.038	2	4	6	COc1cccc(CS(=O)(=O)NCc2c[nH]cn2)c1
398249137	ZINC000336779756	ref	5.72	-39.41	1	223.36	2.339	2	1	6	C=CC[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C
342079042	ZINC000625299236	mid	2.55	-49.58	1	281.337	1.038	2	4	6	COc1cccc(CS(=O)(=O)NCc2cnc[nH]2)c1
342079043	ZINC000625299236	low	2.57	-49.48	1	281.337	1.038	2	3	6	COc1cccc(CS(=O)(=O)NCc2c[nH+]c[nH]2)c1
365634971	ZINC000617431075	ref	4.13	-25.75	0	293.371	0.952	2	5	4	C[C@H]1C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)c2ncnn21
178305882	ZINC000062949152	low	8.93	-99.43	2	243.354	2.966	1	1	1	Cc1cc2[nH+]cn([C@@H]3CC[C@@H](C)[NH2+]C3)c2cc1C
398249142	ZINC000336779449	ref	3.92	-7.19	0	214.272	1.468	1	4	4	CCc1ccnc(CNc2cnccn2)c1
342595805	ZINC000616965052	ref	3.78	-15.41	0	266.385	1.844	2	2	3	C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCNC2=O)CC(C)(C)C1
342595806	ZINC000616965256	ref	4.75	-18.72	0	292.404	1.808	2	3	5	CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@@H]1CCNC1=O
342595807	ZINC000616965142	ref	3.99	-17.63	0	258.321	1.485	2	2	5	O=C(CC/C=C\c1ccccc1)N[C@H]1CCNC1=O
197593080	ZINC000162807249	ref	7.12	-59.11	1	319.361	1.498	1	4	5	C[C@H]([NH2+]CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1
349534789	ZINC000602430759	mid	6.82	-9.73	0	238.331	1.954	0	4	5	COC(=O)[C@@H]1CCCCN1C[C@H](C)CCC#N
197593081	ZINC000162807249	high	5.92	-19.15	0	319.361	1.498	1	5	5	C[C@H](NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21)[C@H]1CCOC1
342595808	ZINC000616973305	ref	4.11	-17.02	0	258.321	1.103	2	2	3	Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCNC2=O)cc1
197593083	ZINC000162805730	ref	7.94	-19.34	0	322.166	2.024	1	5	2	O=C(Nc1nnc2n1CCCC2)c1cncc(Br)c1
197593084	ZINC000162805100	ref	5.85	-14.7	0	317.433	2.836	2	3	3	C[C@H](O)C[C@H]1CCCN1C(=O)Nc1ccc2c(c1)CCCN2C
197593085	ZINC000162807996	ref	3.19	-10.03	0	322.796	1.985	2	5	7	CCCc1c(C(=O)NCCCO)nnn1-c1cccc(Cl)c1
342595809	ZINC000616965102	ref	3.96	-37.14	1	289.379	1.074	3	2	6	CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
197593087	ZINC000162806158	ref	-0.91	-18.78	0	305.334	1.78	3	5	7	Cc1ccc(NC(=O)NCCOCCO)cc1-c1ncco1
185088841	ZINC000096072252	mid	5.62	-35.45	1	277.368	1.57	2	3	5	c1cc(C[N@@H+]2CC[C@]3(C[C@H](OCC4CC4)CO3)C2)n[nH]1
365634970	ZINC000625071460	ref	6.09	-12.4	0	318.425	2.328	1	6	5	CO[C@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC(C)C)[C@H](C)C1
342595810	ZINC000616965102	mid	2.15	-14.57	0	289.379	1.074	2	3	6	CCN(CC)[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
349534796	ZINC000258907916	ref	5.52	-47.52	1	244.342	1.367	1	3	3	CN(Cc1ccc2c(c1)ncn2C)[C@H]1CC[NH2+]C1
342595811	ZINC000616965276	ref	3.49	-19.45	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1
365634977	ZINC000625072765	ref	2.76	-10.47	0	320.361	2.335	1	4	5	CC(C)Oc1cncc(S(=O)(=O)N[C@@H]2CCC(F)(F)C2)c1
365634983	ZINC000625072765	high	2.52	-36.68	-1	320.361	2.335	0	4	5	CC(C)Oc1cncc(S(=O)(=O)[N-][C@@H]2CCC(F)(F)C2)c1
365634994	ZINC000625072049	ref	6.54	-12.0	0	306.414	2.187	1	6	9	COCCCCN(C)c1nnc(-c2cn[nH]c2)n1CC(C)C
349534805	ZINC000602431161	ref	6.46	-38.49	1	241.331	1.44	1	3	5	COC(=O)[C@H]1CCC[N@H+](CCC[C@H]2CCO2)C1
365639185	ZINC000637720447	ref	9.29	-19.88	0	259.313	1.657	0	5	5	CCCCN(C(=O)c1ncn(C)n1)c1ccccn1
398249120	ZINC000649443039	ref	7.43	-42.32	1	231.339	2.988	1	1	4	CC(C)OCc1cccc(C2=CC[NH2+]CC2)c1
398249124	ZINC000649443219	ref	4.85	-8.52	0	218.281	2.448	0	4	1	Cc1nnc(-c2ccc3c(c2)CCO3)s1
398249129	ZINC000649443071	ref	6.08	-9.15	0	201.229	1.417	0	4	1	Cn1ncnc1-c1ccc2c(c1)CCO2
398249134	ZINC000649443192	ref	5.17	-47.07	1	228.295	1.948	2	1	1	O=C1CCc2ccc(C3=CC[NH2+]CC3)cc2N1
365634978	ZINC000617430424	ref	3.29	-23.03	0	259.269	0.814	2	5	2	C[C@H]1C[C@@H](NC(=O)c2ccc[nH]c2=O)c2ncnn21
365639186	ZINC000641602373	ref	2.84	-12.48	0	267.391	1.098	0	4	9	CC[C@@H](C)N(CC)S(=O)(=O)C[C@H](COC)OC
365639193	ZINC000641608836	ref	3.58	-8.32	0	284.319	1.363	1	5	2	C[C@H]1CN(c2cc(C(N)=O)ncn2)Cc2ccccc2O1
365639198	ZINC000641608681	ref	5.23	-7.38	0	282.347	1.96	1	4	3	NC(=O)c1cc(N2CCC[C@H](c3ccccc3)C2)ncn1
365639203	ZINC000641608782	ref	2.8	-8.53	0	275.414	1.455	1	3	3	C[C@H]1CN(S(=O)(=O)CC2(C)CCC2)C[C@H](C)C1O
365639209	ZINC000641608758	ref	0.38	-40.1	1	296.415	1.648	2	5	6	CCC(C)(C)c1nnc(N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)o1
365639214	ZINC000641608758	mid	0.65	-39.49	1	296.415	1.648	2	5	6	CCC(C)(C)c1nnc(N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)o1
365639215	ZINC000641608758	high	-0.91	-7.34	0	296.415	1.648	1	6	6	CCC(C)(C)c1nnc(N2CC[C@@H](N(C)CCO)[C@H]2C)o1
365639219	ZINC000641608514	ref	-3.25	-43.82	-1	263.297	1.35	1	5	5	CC[C@H](O)CN=c1[n-]nc(-c2ccc(OC)cc2)o1
214185387	ZINC000293577542	ref	4.3	-9.58	0	364.402	0.564	1	7	2	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC2(CCOCC2)CC1
398249143	ZINC000649443239	ref	5.09	-6.46	0	241.29	3.001	0	3	2	COc1ccc(-c2ccc3c(c2)CCO3)c(C)n1
398249148	ZINC000649443131	ref	6.02	-53.75	1	241.298	1.347	1	4	2	Cc1nnnn1-c1ccc(C2=CC[NH2+]CC2)cc1
178302070	ZINC000057352386	ref	2.61	-58.88	-1	223.188	-0.177	2	5	2	Cc1cc2[nH]c(=O)n(CC(=O)[O-])c(=O)c2[nH]1
365639224	ZINC000641602365	ref	3.69	-9.68	0	263.403	1.862	0	3	5	CC[C@H](C)N(CC)S(=O)(=O)[C@@H]1CCOC[C@@H]1C
398249152	ZINC000649443194	ref	7.05	-45.43	1	245.219	3.221	1	0	1	Fc1cc(C2=CC[NH2+]CC2)cc(C(F)(F)F)c1
398249159	ZINC000649443224	ref	2.73	-8.66	0	208.286	1.949	1	4	2	Cc1c(-c2csc(CO)c2)cnn1C
398249164	ZINC000649443197	ref	5.22	-6.38	0	248.347	3.695	1	3	4	CC(C)Oc1ccc(-c2csc(CO)c2)cc1
365639230	ZINC000641608407	ref	1.7	-11.17	0	265.35	1.364	1	3	5	CC(C)(F)CCNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2
365639236	ZINC000641608680	ref	5.23	-7.39	0	282.347	1.96	1	4	3	NC(=O)c1cc(N2CCC[C@@H](c3ccccc3)C2)ncn1
365634990	ZINC000336551241	ref	4.98	-14.64	0	294.399	2.353	2	3	2	CC(C)n1ccc(=NC(=O)N[C@H]2CC(C)(C)OC2(C)C)[nH]1
365634996	ZINC000336551163	ref	6.49	-40.29	1	267.417	2.349	3	1	3	CC[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)CC1
398249122	ZINC000650875657	ref	5.19	-16.67	0	279.384	1.628	2	2	4	CC(C)N1CC[C@@H](NC(=O)NC2(C3CCC3)CC2)C1=O
398249125	ZINC000650874310	ref	1.04	-11.18	0	270.373	1.406	3	3	5	C[C@@H](NC(=O)NCC[C@]1(O)CCOC1)C1CCCC1
398249130	ZINC000650873608	ref	2.3	-12.34	0	296.342	1.184	3	3	7	O=C(NCCc1ccc2c(c1)CCO2)N[C@H](CO)CCF
365635001	ZINC000336551163	high	4.1	-7.71	0	267.417	2.349	2	2	3	CC[C@@H]1CC[C@@H](NC(=O)NC2CCN(C)CC2)CC1
398249136	ZINC000650875661	ref	6.55	-43.23	1	279.388	1.01	2	3	6	CN(CC[NH+]1CCCCC1)C(=O)NCCn1cccn1
365635010	ZINC000336551655	ref	8.13	-15.27	0	290.407	2.06	0	2	2	CC1=C[C@@H](C)CN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1
365635016	ZINC000336551699	ref	2.44	-12.47	0	273.361	2.013	1	4	1	O=C1C[C@@]2(CCN(c3ccnc4ccsc34)C2)CN1
365635020	ZINC000336551699	mid	2.87	-42.73	1	273.361	2.013	1	3	1	O=C1C[C@@]2(CCN(c3cc[nH+]c4ccsc34)C2)CN1
365635026	ZINC000336551408	ref	3.68	-9.62	0	295.245	2.147	2	4	2	Cc1noc(C)c1NC(=O)C(=O)Nc1cccc(F)c1F
365635034	ZINC000336551817	ref	7.75	-12.44	0	287.359	2.425	0	3	2	CC1=C[C@H](C)CN(C(=O)Cc2ccc3c(c2)OCCO3)C1
365635040	ZINC000336550974	ref	4.32	-15.56	0	289.36	2.285	2	4	2	O=C(Nc1nc2ccccc2s1)N1CC(O)(C2CC2)C1
398249139	ZINC000650875661	high	4.14	-15.31	0	279.388	1.01	1	4	6	CN(CCN1CCCCC1)C(=O)NCCn1cccn1
214185390	ZINC000293578953	ref	2.31	-14.74	0	357.407	0.802	2	4	4	CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@H]2CF)c1C
398249144	ZINC000650874486	ref	3.67	-17.53	0	279.315	1.356	2	2	4	NC(=O)N[C@@H](CC(=O)N1CC[C@H](F)C1)c1ccccc1
365635049	ZINC000336550919	ref	6.02	-8.1	0	289.375	2.323	0	3	1	Cc1ccc(C)c(C(=O)N2C[C@@H](C)O[C@]3(CCOC3)C2)c1
365635059	ZINC000336550738	ref	6.71	-6.95	0	271.426	2.405	0	3	3	CSC[C@H](C)C(=O)N1CCCC2(CCOCC2)C1
365635065	ZINC000336550854	ref	7.9	-7.23	0	273.376	2.427	0	2	1	C[C@H]1COC(C)(C)CN1C(=O)C1Cc2ccccc2C1
398249150	ZINC000650870882	ref	2.28	-13.17	0	267.373	1.374	3	2	3	C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)[C@H](C)C1
178302080	ZINC000071475113	ref	2.93	-44.25	-1	241.25	2.116	0	5	1	Cc1cc2n(n1)C(=O)C(c1ccccc1)C([O-])=N2
259308302	ZINC000394126506	ref	5.76	-32.94	1	239.334	2.488	2	1	6	Cc1cccc(C[NH2+]C[C@H](CO)C(C)C)c1F
365634993	ZINC000576593484	ref	3.8	-44.67	1	242.319	0.301	2	3	6	CCOC(=O)C[C@@H](C)CNC(=O)[C@H]1CC[NH2+]C1
185088843	ZINC000096072471	ref	4.43	-11.5	0	298.346	1.688	0	6	3	c1cncc(O[C@@H]2CO[C@@]3(CCN(c4cnccn4)C3)C2)c1
199273036	ZINC000181260196	ref	7.8	-7.76	0	321.417	2.34	1	4	9	COC[C@](C)(NC(=O)[C@@H](C)CCCc1ccccc1)C(=O)OC
185088846	ZINC000096073863	ref	1.86	-19.03	0	291.351	0.636	2	5	3	O=C(CO)N1CCC[C@@]2(C[C@H](Nc3cccnc3)CO2)C1
199273039	ZINC000181265767	ref	9.77	-10.09	0	315.421	3.009	2	5	2	CC(C)(C)n1ncc2c(=O)[nH]c(N[C@H]3CC34CCCCC4)nc21
342595812	ZINC000616965141	ref	3.99	-18.56	0	258.321	1.485	2	2	5	O=C(CC/C=C\c1ccccc1)N[C@@H]1CCNC1=O
365634999	ZINC000576595855	ref	3.01	-6.39	0	227.348	1.947	2	2	5	CC[C@@](C)(CO)C(=O)NCC1CC(C)(C)C1
259308304	ZINC000394126506	high	4.4	-4.71	0	239.334	2.488	2	2	6	Cc1cccc(CNC[C@H](CO)C(C)C)c1F
214185392	ZINC000278486322	ref	5.61	-10.26	0	312.391	2.319	1	6	5	CCOC(=O)c1csc(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)n1
342595813	ZINC000616965111	ref	5.49	-19.24	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1cccc2ccccc12
342595814	ZINC000616964990	ref	3.95	-17.06	0	278.377	1.419	2	3	5	C[C@H](CSc1ccccc1)C(=O)N[C@@H]1CCNC1=O
349534791	ZINC000594968884	ref	5.61	-50.91	1	275.483	2.55	1	2	3	C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)CS1
214185394	ZINC000278486454	ref	8.4	-16.61	0	317.429	3.35	0	4	8	CCc1cccc2c(=O)cc(C(C)C)n(CCOCCOC)c12
214185397	ZINC000278484853	ref	8.75	-36.75	1	303.45	2.697	1	2	7	CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc2c(n1)CCCC2
214185403	ZINC000278484853	high	7.53	-11.16	0	303.45	2.697	1	3	7	CCN(CC)C(=O)C[C@H](C)NCc1ccc2c(n1)CCCC2
199273041	ZINC000181266312	ref	7.15	-12.9	0	318.417	2.953	1	3	7	CO[C@H](C)CCC(=O)Nc1cccc(CN2CCCCC2=O)c1
214185405	ZINC000278486407	ref	8.52	-11.15	0	321.837	3.269	0	6	3	CCn1cc(C2CCN(c3nc(Cl)c(C#N)s3)CC2)cn1
214185409	ZINC000278485078	ref	9.03	-9.38	0	324.373	2.869	0	6	7	COc1cccc(COC(=O)CCC(=O)OC(C)(C)C)c1OC
214185412	ZINC000278486133	ref	5.26	-9.6	0	307.39	2.178	1	4	6	COc1ccc(OC)c(CCC(=O)N[C@@H]2CCOC[C@@H]2C)c1
214185415	ZINC000278486476	ref	7.64	-10.27	0	317.433	3.072	1	4	4	CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)nc1
214185418	ZINC000278485590	ref	4.66	-15.35	0	320.32	3.16	2	4	6	CCOC(=O)NCCC(=O)Nc1ccc(-c2ccco2)cc1F
214185393	ZINC000293579051	ref	3.5	-12.05	0	353.35	0.778	1	6	6	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2cccnc2OCC)C1
214185396	ZINC000293578946	ref	2.31	-14.77	0	357.407	0.802	2	4	4	CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCC[C@@H]2CF)c1C
190493690	ZINC000269434674	ref	8.74	-13.4	0	279.311	2.302	0	3	3	COC(=O)C[C@H]1CCCN1C(=O)c1cc(C)cc(F)c1
214185398	ZINC000293579623	ref	1.53	-48.85	1	374.441	0.318	5	4	6	C[C@]1(c2ccc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)cc2)NC(=O)NC1=O
214185400	ZINC000293579623	high	-0.87	-13.23	0	374.441	0.318	4	5	6	C[C@]1(c2ccc(C(=O)N[C@@H](CO)CN3CCCCC3)cc2)NC(=O)NC1=O
342079044	ZINC000625299236	low	2.55	-49.58	1	281.337	1.038	2	3	6	COc1cccc(CS(=O)(=O)NCc2c[nH]c[nH+]2)c1
349534797	ZINC000594968914	ref	6.24	-51.27	1	269.385	2.605	1	1	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1
342079045	ZINC000625299009	ref	3.46	-17.25	0	269.37	1.409	2	3	5	O=S(=O)(CC12CCC(CC1)C2)NCc1c[nH]cn1
282122531	ZINC000410602828	high	4.51	-11.02	0	349.406	0.499	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCc3cccc(F)c3C2)CCO1
190493691	ZINC000269430155	ref	4.15	-9.65	0	264.369	2.034	2	3	7	CCCCN(C)c1ccc(C(=O)N[C@H](C)CO)cc1
342079046	ZINC000625299009	mid	3.43	-15.6	0	269.37	1.409	2	3	5	O=S(=O)(CC12CCC(CC1)C2)NCc1cnc[nH]1
342079047	ZINC000625299009	low	3.94	-45.41	1	269.37	1.409	2	2	5	O=S(=O)(CC12CCC(CC1)C2)NCc1c[nH+]c[nH]1
349534801	ZINC000594968914	high	5.44	-12.79	0	269.385	2.605	1	2	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ccccc2F)C1
349534806	ZINC000594969607	ref	6.66	-46.47	1	272.392	2.738	2	2	6	C[C@@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1(CO)CC1
214185411	ZINC000293579006	ref	3.29	-15.09	0	374.441	0.574	2	5	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccccc1N1CCC(C(N)=O)CC1
214185413	ZINC000293578404	ref	7.99	-46.17	1	362.449	0.931	2	3	6	C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccccc3F)C2)CC1=O
214185416	ZINC000293578404	high	5.52	-14.51	0	362.449	0.931	1	4	6	CN(C)CCN1C[C@H](C(=O)N[C@H]2CCN(c3ccccc3F)C2)CC1=O
230236683	ZINC000355017808	ref	0.74	-20.98	0	299.327	-0.095	2	4	6	CNS(=O)(=O)CCNC(=O)Cc1c(F)cccc1C#N
349534811	ZINC000594968983	ref	6.34	-65.39	1	287.375	2.744	1	1	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1
342079048	ZINC000625299009	low	3.93	-45.59	1	269.37	1.409	2	2	5	O=S(=O)(CC12CCC(CC1)C2)NCc1c[nH]c[nH+]1
342079049	ZINC000625298300	ref	6.82	-15.88	0	299.33	1.786	1	4	2	O=C(c1cc(=O)[nH]cn1)N1CCCO[C@@H](c2ccccc2)C1
365634995	ZINC000274357394	ref	3.41	-38.13	1	260.341	1.384	1	2	2	Cc1cc(N2CCC(N3CCNC3=O)CC2)cc[nH+]1
342079050	ZINC000625298300	high	5.67	-42.54	-1	299.33	1.786	0	4	2	O=C(c1cc(=O)[n-]cn1)N1CCCO[C@@H](c2ccccc2)C1
365635005	ZINC000274359871	ref	2.79	-9.61	0	279.34	1.725	2	4	4	C[C@H](CNC(=O)OC(C)(C)C)NC(=O)c1ccccn1
178302084	ZINC000082802894	ref	4.84	-48.82	1	267.332	1.585	2	2	3	O=C(NCc1cccnc1)[C@@H]1C[NH2+]Cc2ccccc21
365635022	ZINC000274358009	ref	2.23	-14.02	0	293.396	1.833	3	4	5	Cc1n[nH]cc1CNC(=O)NCCc1nc(C)c(C)s1
365635029	ZINC000274358009	mid	2.22	-13.38	0	293.396	1.833	3	4	5	Cc1nc(CCNC(=O)NCc2cn[nH]c2C)sc1C
365635035	ZINC000274359553	ref	3.99	-10.6	0	288.351	1.946	2	4	2	O=C(Nc1cncnc1)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2
178302086	ZINC000082802894	high	3.35	-9.66	0	267.332	1.585	2	3	3	O=C(NCc1cccnc1)[C@@H]1CNCc2ccccc21
342079051	ZINC000625299843	ref	4.37	-8.41	0	292.354	1.587	2	2	2	C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1
365635044	ZINC000274357368	ref	7.16	-19.39	0	282.413	1.973	1	4	6	CCCN(CC)C(=O)NCCc1cn2c(n1)SCC2
343994995	ZINC000114416411	ref	8.45	-7.66	0	200.285	2.88	0	2	2	Cc1cccc([C@H](C)c2nccn2C)c1
365635053	ZINC000274360407	ref	3.56	-11.27	0	276.34	1.635	2	4	1	O=C(Nc1cncnc1)N1CC[C@]2(O)CCCC[C@H]2C1
136229228	ZINC000232473168	ref	4.17	-35.14	1	220.316	1.999	2	2	3	c1cc2c(o1)CCC[C@H]2NC[C@@H]1CCC[NH2+]1
365635061	ZINC000274360198	ref	3.4	-10.67	0	264.329	1.658	2	4	3	CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2cncnc2)C1(C)C
365635071	ZINC000274359569	ref	4.35	-10.48	0	288.351	1.946	2	4	2	O=C(Nc1cncnc1)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2
365635078	ZINC000274359062	ref	4.57	-18.78	0	266.37	1.239	2	4	4	C[C@H]1C[C@@H]1NC(=O)NCCc1cn2c(n1)SCC2
365635083	ZINC000274359546	ref	4.65	-13.26	0	288.351	1.946	2	4	2	O=C(Nc1cncnc1)N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2
365635089	ZINC000274358937	ref	3.29	-16.51	0	290.319	1.697	2	4	3	COc1cc2c(cc1NC(=O)[C@@H]1CCCO1)NC(=O)CC2
178302092	ZINC000082800537	ref	3.53	-47.3	1	290.161	1.487	1	4	4	COC(=O)[C@](C)([NH3+])C[C@H](C)n1cc(Br)cn1
178302093	ZINC000082800537	mid	3.26	-5.18	0	290.161	1.487	1	5	4	COC(=O)[C@](C)(N)C[C@H](C)n1cc(Br)cn1
192037657	ZINC000418464713	ref	5.76	-45.55	1	241.379	1.818	2	1	7	CCC[NH2+]CCNC(=O)N(C)CC1CCCC1
259308306	ZINC000180696664	ref	5.48	-16.87	0	249.701	2.255	1	3	3	Cn1ccc(CC(=O)Nc2cccc(Cl)c2)n1
214185399	ZINC000053475272	ref	6.64	-10.22	0	326.396	2.838	2	3	5	CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N[C@@H]1CCc2ccccc21
214185401	ZINC000053476971	ref	9.16	-9.87	0	333.395	2.261	1	5	5	O=C(N[C@@H]1CCc2ccccc21)[C@@H](Cc1ccccc1)n1cnnn1
365635002	ZINC000625072827	ref	2.15	-6.52	0	313.825	2.317	3	3	8	C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)CC1(O)CCC1
214185404	ZINC000053475819	ref	8.5	-12.51	0	325.408	3.44	1	3	6	COc1ccc(CCC(=O)N[C@H]2CCc3ccccc32)cc1OC
306234663	ZINC000557902269	mid	4.07	-52.09	1	345.509	1.088	3	3	6	CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)C1
214185406	ZINC000053492586	ref	5.39	-16.37	0	347.459	2.288	2	3	6	Cc1cc(C)c(C)c(OCCCNC(=O)N2CCC(C(N)=O)CC2)c1
306234664	ZINC000557918982	ref	7.25	-49.82	1	335.423	1.888	2	2	6	CC[C@H]1C[N@H+](C)CCN1C(=O)CCCNC(=O)c1ccc(F)cc1
342595815	ZINC000616965278	ref	3.57	-21.04	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1
214185410	ZINC000053475108	ref	8.1	-15.1	0	327.38	3.13	1	4	5	COc1ccc(C(=O)N[C@H]2CCc3ccccc32)c(OC)c1OC
342595816	ZINC000616965121	ref	4.4	-17.43	0	274.364	1.821	2	2	5	CC(C)[C@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
349534803	ZINC000093273976	ref	1.11	-9.89	0	290.371	0.912	0	7	5	CCn1cc(CN2CCN(Cc3noc(C)n3)CC2)cn1
214185414	ZINC000053482375	ref	6.66	-18.82	0	344.436	3.368	1	4	6	C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cc(C(N)=O)cs2)C2CC2)o1
214185417	ZINC000053476526	ref	11.32	-17.34	0	335.411	2.477	1	5	4	Cc1nc2ncnn2c(C)c1CCC(=O)N[C@@H]1CCc2ccccc21
214185420	ZINC000053465345	ref	7.55	-52.64	1	343.402	2.776	3	2	6	CC(=O)Nc1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)ccc1F
214185423	ZINC000053465345	high	5.07	-15.21	0	343.402	2.776	2	3	6	CC(=O)Nc1cc(C(=O)NCc2cccc(CN(C)C)c2)ccc1F
214185426	ZINC000053476741	ref	8.35	-16.85	0	334.375	2.395	1	3	3	Cc1ccc2c(c1)C(=O)N(CC(=O)N[C@H]1CCc3ccccc31)C2=O
214185429	ZINC000053491538	ref	5.51	-20.3	0	346.431	1.2	2	3	7	CNC(=O)c1ccc(CN(C)C(=O)NCCCN2CCCC2=O)cc1
214185433	ZINC000053478142	ref	4.78	-14.31	0	349.818	1.478	2	3	3	O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O
214190641	ZINC000337633741	mid	5.47	-10.38	0	288.395	3.105	3	2	5	Cc1ccc2nc(CNC(=O)N[C@H](C)CC(C)C)[nH]c2c1
365635006	ZINC000641599572	ref	3.74	-14.25	0	289.379	1.633	2	4	3	CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(CO)ccn3)[C@H]2C1
365635014	ZINC000641599572	low	4.2	-36.48	1	289.379	1.633	2	3	3	CC(=O)N1C[C@@H]2CCC[C@@H](Nc3cc(CO)cc[nH+]3)[C@H]2C1
365635024	ZINC000641602732	ref	6.16	-7.53	0	269.348	1.785	2	4	5	Cc1cncnc1NC[C@@]1(CO)C[C@@H]1c1ccccc1
365635030	ZINC000641602962	ref	1.99	-12.55	0	291.413	1.146	1	4	6	COC1CC(CCNS(=O)(=O)[C@H]2CCOC[C@@H]2C)C1
365635036	ZINC000641602902	ref	4.5	-14.35	0	293.339	1.463	1	3	5	CN(Cc1c[nH]cn1)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F
365635043	ZINC000641602902	mid	4.59	-14.99	0	293.339	1.463	1	3	5	CN(Cc1cnc[nH]1)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F
365635050	ZINC000641602902	low	5.1	-40.69	1	293.339	1.463	1	2	5	CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F
398249123	ZINC000651464024	ref	9.83	-5.96	0	267.438	3.167	0	2	2	CC1(C)CN(C(=O)[C@@H]2C[C@@H]2C2CCCC2)CCS1
365635056	ZINC000641602902	low	5.13	-40.15	1	293.339	1.463	1	2	5	CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F
365635064	ZINC000641600030	ref	3.44	-8.81	0	250.298	1.179	1	4	1	CC(C)(C)c1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)no1
365635070	ZINC000641602689	ref	1.64	-10.76	0	295.408	1.742	2	6	6	CCc1cc2c(N(CCO)C[C@H](C)O)nc(C)nc2s1
365635074	ZINC000641602719	ref	2.63	-9.59	0	261.387	1.663	1	3	4	CC1(CS(=O)(=O)N[C@@H]2COC(C)(C)C2)CCC1
342595817	ZINC000616965196	ref	3.47	-15.41	0	252.358	1.598	2	2	5	CC[C@H](CC1CCCC1)C(=O)N[C@H]1CCNC1=O
365635077	ZINC000641602802	ref	2.93	-13.08	0	291.347	1.309	1	4	6	COCCCOc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
398249127	ZINC000651464614	ref	9.11	-8.63	0	283.375	3.426	1	4	4	Cc1cnc(NC[C@@H]2CC[C@H](c3ccccc3)O2)nc1C
342595818	ZINC000616973341	ref	3.35	-17.1	0	264.35	1.173	2	3	5	O=C(CCSc1ccccc1)N[C@@H]1CCNC1=O
365635085	ZINC000641602735	ref	6.25	-8.36	0	269.348	1.785	2	4	5	Cc1cncnc1NC[C@]1(CO)C[C@@H]1c1ccccc1
365635093	ZINC000641599515	ref	6.13	-15.91	0	299.378	1.563	2	4	3	Cc1nc(NC[C@H]2CCCN(C(N)=O)C2)nc2ccccc12
365635099	ZINC000641602922	ref	2.25	-10.73	0	283.34	1.519	1	3	4	CC1(C)C[C@H](NS(=O)(=O)C[C@@]2(C)CC2(F)F)CO1
342595819	ZINC000364819183	ref	0.77	-14.99	0	299.33	1.502	3	5	3	O=C(N[C@@H]1CCN(c2cccnc2)C1)c1cccc(O)c1O
342595820	ZINC000364819183	high	1.83	-56.42	-1	299.33	1.502	2	5	3	O=C(N[C@@H]1CCN(c2cccnc2)C1)c1cccc(O)c1[O-]
342595821	ZINC000616973364	ref	3.03	-16.26	0	287.146	1.541	2	2	3	O=C(Cc1ccc(Cl)cc1Cl)N[C@@H]1CCNC1=O
365635007	ZINC000625072827	mid	4.56	-40.14	1	313.825	2.317	3	3	8	C[N@@H+](CCOc1ccc(Cl)cc1)C[C@@H](O)CC1(O)CCC1
365635012	ZINC000625072827	high	2.15	-6.52	0	313.825	2.317	2	4	8	CN(CCOc1ccc(Cl)cc1)C[C@@H](O)CC1(O)CCC1
365635018	ZINC000625074238	ref	1.55	-8.21	0	314.389	2.365	1	6	4	Oc1cccc(N2CCN(Cc3noc(C4CCC4)n3)CC2)c1
365639189	ZINC000343901484	ref	4.53	-13.01	0	239.315	1.239	0	3	2	C[C@@H]1CC(=O)CC[C@H]1C(=O)N(C)[C@H]1CCOC1
178302083	ZINC000096515932	ref	4.24	-60.12	-1	237.215	-0.166	1	6	2	Cc1cc2[nH]c(=O)n(CC(=O)[O-])c(=O)c2n1C
365639199	ZINC000343901486	ref	4.25	-11.69	0	239.315	1.239	0	3	2	C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(C)[C@H]1CCOC1
365639206	ZINC000175986166	ref	6.41	-12.76	0	218.3	1.985	1	2	3	N#CC1(NC(=O)[C@@H]2C[C@H]2C2CC2)CCCC1
178302085	ZINC000075414908	ref	4.18	-33.06	1	218.26	0.721	2	3	2	Cc1cc2[nH+]c(N)n(CC(N)=O)c2cc1C
178302088	ZINC000075414908	high	3.71	-18.2	0	218.26	0.721	2	4	2	Cc1cc2nc(N)n(CC(N)=O)c2cc1C
365639212	ZINC000175982971	ref	7.93	-5.42	0	207.317	2.434	0	1	2	CC1(C)CCCN1C(=O)[C@@H]1C[C@@H]1C1CC1
365639226	ZINC000175986184	ref	6.23	-12.08	0	218.3	1.985	1	2	3	N#CC1(NC(=O)[C@H]2C[C@H]2C2CC2)CCCC1
398249132	ZINC000651461936	ref	10.02	-99.03	2	264.457	3.443	2	0	6	C=CCC1(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CCCC1
398249138	ZINC000651462493	ref	4.24	-7.66	0	273.38	3.49	1	4	6	CCCc1ncc(CN[C@H](C)c2ccc(C)nc2C)o1
398249141	ZINC000651462493	mid	5.35	-48.44	1	273.38	3.49	1	3	6	CCCc1ncc(C[NH2+][C@H](C)c2ccc(C)nc2C)o1
365639232	ZINC000576618302	ref	8.71	-38.68	1	248.414	3.817	1	1	8	CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccncc1
398249147	ZINC000651461942	ref	7.56	-39.66	1	253.43	3.463	1	1	5	CCC1(C[NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)COC1
365639239	ZINC000343905785	ref	5.2	-14.68	0	246.318	1.369	2	5	4	CCc1nc(C)cc(N[C@H](C)c2nnc(C)[nH]2)n1
178302094	ZINC000022863867	ref	5.73	-40.56	1	217.316	2.678	2	1	3	Cc1cc2nc(C[NH2+]C(C)C)[nH]c2cc1C
398249149	ZINC000651463705	ref	6.91	-35.54	1	262.397	3.163	1	2	6	CO[C@H](C1CC1)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C
178302096	ZINC000022863867	high	4.55	-8.04	0	217.316	2.678	2	2	3	Cc1cc2nc(CNC(C)C)[nH]c2cc1C
178302099	ZINC000012230108	ref	6.54	-7.13	0	248.351	2.75	0	4	1	Cc1cc2nc(N3CCOCC3)sc2cc1C
365639244	ZINC000343905785	mid	4.72	-10.3	0	246.318	1.369	2	5	4	CCc1nc(C)cc(N[C@H](C)c2n[nH]c(C)n2)n1
365639249	ZINC000343905785	mid	5.71	-37.72	1	246.318	1.369	2	4	4	CCc1nc(N[C@H](C)c2nnc(C)[nH]2)cc(C)[nH+]1
398249154	ZINC000651463705	high	6.54	-4.13	0	262.397	3.163	1	3	6	CO[C@H](C1CC1)[C@@H](C)N[C@@H](C)c1ccc(C)nc1C
365635009	ZINC000576594148	ref	3.27	-7.46	0	245.326	1.69	2	3	7	N#Cc1ccc(C[N@@H+](CCCCO)C2CC2)nc1
342595822	ZINC000616965277	ref	3.5	-17.46	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1
365635015	ZINC000576594148	mid	5.19	-43.21	1	245.326	1.69	2	3	7	N#Cc1ccc(C[N@H+](CCCCO)C2CC2)nc1
342595823	ZINC000616973423	ref	3.73	-18.71	0	275.352	1.151	2	3	5	CCN(CC)c1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
342595824	ZINC000616973284	ref	3.5	-15.64	0	250.342	1.518	2	2	4	C=CCC1(C(=O)N[C@H]2CCNC2=O)CCCCC1
342595825	ZINC000616964987	ref	3.94	-16.89	0	278.377	1.419	2	3	5	C[C@@H](CSc1ccccc1)C(=O)N[C@@H]1CCNC1=O
343994998	ZINC000114416411	mid	8.95	-27.44	1	200.285	2.88	0	1	2	Cc1cccc([C@H](C)c2[nH+]ccn2C)c1
365635021	ZINC000576594148	mid	3.27	-7.46	0	245.326	1.69	1	4	7	N#Cc1ccc(CN(CCCCO)C2CC2)nc1
365635028	ZINC000175971813	ref	2.45	-10.89	0	205.217	1.872	2	3	2	Cc1cc(C)c(C(=O)Nc2cn[nH]c2)o1
365635037	ZINC000576594395	ref	3.14	-37.35	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C
365635041	ZINC000576594395	mid	2.7	-35.42	1	227.352	0.537	2	2	4	CNC(=O)CCC[N@H+]1CCN(C)[C@H](C)[C@@H]1C
185088848	ZINC000096072333	ref	3.73	-16.52	0	298.383	0.555	1	4	5	CNC(=O)CO[C@@H]1CO[C@]2(CCN(C(=O)CC(C)C)C2)C1
299072209	ZINC000459275043	ref	9.4	-43.53	1	318.465	2.906	2	2	6	CC[C@@H](c1ccncc1)N(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1
299072211	ZINC000459275043	mid	9.4	-43.53	1	318.465	2.906	2	2	6	CC[C@@H](c1ccncc1)N(C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1
365635045	ZINC000576594395	mid	0.84	-8.47	0	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@H+](C)[C@H](C)[C@@H]1C
365635051	ZINC000576594395	mid	2.7	-35.42	1	227.352	0.537	2	2	4	CNC(=O)CCCN1CC[N@@H+](C)[C@H](C)[C@@H]1C
365635055	ZINC000576594395	high	0.84	-8.47	0	227.352	0.537	1	3	4	CNC(=O)CCCN1CCN(C)[C@H](C)[C@@H]1C
365635062	ZINC000576594383	ref	5.44	-37.91	1	222.332	1.389	2	1	3	O=C1NCC[C@@H]1CC[N@@H+]1CCC2(CCC2)C1
365635068	ZINC000576594383	mid	5.46	-36.93	1	222.332	1.389	2	1	3	O=C1NCC[C@@H]1CC[N@H+]1CCC2(CCC2)C1
342595826	ZINC000616973424	ref	3.73	-18.77	0	275.352	1.151	2	3	5	CCN(CC)c1ccc(C(=O)N[C@H]2CCNC2=O)cc1
365635072	ZINC000576595472	ref	6.96	-6.99	0	244.404	2.712	1	2	4	CCCN(C(=O)NC1CCSCC1)C(C)C
342595827	ZINC000616973426	ref	2.0	-18.36	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(F)cc1Cl
342595828	ZINC000616964956	ref	4.89	-15.07	0	274.364	1.506	2	2	5	CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCNC1=O
365635080	ZINC000576596142	ref	4.71	-32.46	1	224.348	1.775	2	1	3	C[C@@H]1CCC(C)(C)[N@@H+]1CC[C@@H]1CCNC1=O
342079052	ZINC000625299843	mid	6.73	-44.99	1	292.354	1.587	2	2	2	C[N@H+]1CCC[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1
342079053	ZINC000625299843	high	4.37	-8.41	0	292.354	1.587	1	3	2	CN1CCC[C@@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1
178302097	ZINC000082802900	ref	3.64	-50.49	1	268.316	2.218	3	2	2	O=C(Nc1cccc(O)c1)[C@@H]1C[NH2+]Cc2ccccc21
178302098	ZINC000082802900	high	2.15	-12.67	0	268.316	2.218	3	3	2	O=C(Nc1cccc(O)c1)[C@@H]1CNCc2ccccc21
342079054	ZINC000625300793	ref	2.3	-15.92	0	281.337	1.287	2	4	6	CCOc1cccc(S(=O)(=O)NCc2c[nH]cn2)c1
342079055	ZINC000625300793	mid	2.27	-14.27	0	281.337	1.287	2	4	6	CCOc1cccc(S(=O)(=O)NCc2cnc[nH]2)c1
342079056	ZINC000625300793	low	2.78	-43.9	1	281.337	1.287	2	3	6	CCOc1cccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c1
342079057	ZINC000625300793	low	2.77	-43.89	1	281.337	1.287	2	3	6	CCOc1cccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c1
349534804	ZINC000618813639	ref	5.57	-24.28	0	262.288	1.535	0	4	3	Cc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1F
214185419	ZINC000293577230	ref	1.92	-13.15	0	366.439	0.935	2	5	2	CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CC[C@@H](O)C12CCCC2
349534808	ZINC000618813113	ref	4.36	-19.86	0	292.404	1.441	1	4	7	CC(=O)CSCC(=O)NCCN1Cc2ccccc2C1
342079058	ZINC000625299439	ref	1.44	-12.31	0	266.345	1.197	2	5	6	CNC(=O)[C@H](NCc1noc(C2CCC2)n1)C(C)C
178302107	ZINC000082802961	ref	5.91	-49.11	1	296.37	2.198	2	2	4	COc1ccc(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1
178302109	ZINC000082802961	high	4.44	-9.5	0	296.37	2.198	2	3	4	COc1ccc(CNC(=O)[C@@H]2CNCc3ccccc32)cc1
342079059	ZINC000625300473	ref	2.64	-16.5	0	279.312	1.265	2	3	5	O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1c[nH]cn1
342079060	ZINC000625300473	mid	2.6	-15.01	0	279.312	1.265	2	3	5	O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1cnc[nH]1
342079061	ZINC000625300473	low	3.11	-44.77	1	279.312	1.265	2	2	5	O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1c[nH+]c[nH]1
342079062	ZINC000625300473	low	3.1	-44.88	1	279.312	1.265	2	2	5	O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1c[nH]c[nH+]1
214185422	ZINC000293573639	ref	3.53	-47.75	1	359.43	0.978	2	6	7	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCc1nc(-c2ccccn2)no1
214185424	ZINC000293573639	mid	3.77	-47.15	1	359.43	0.978	2	6	7	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCc1nc(-c2ccccn2)no1
342079063	ZINC000625299049	ref	2.92	-14.85	0	295.364	1.675	2	4	6	CC(C)Oc1ccc(S(=O)(=O)NCc2c[nH]cn2)cc1
342595829	ZINC000616964955	ref	4.83	-15.29	0	274.364	1.506	2	2	5	CC(C)[C@H](Cc1ccccc1)C(=O)N[C@@H]1CCNC1=O
342595830	ZINC000616965257	ref	4.81	-17.42	0	292.404	1.808	2	3	5	CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H]1CCNC1=O
365635017	ZINC000354707116	ref	6.73	-15.14	0	255.314	1.108	0	4	4	CCN(C(=O)[C@H]1CC[C@H](C(=O)OC)O1)C1CCC1
365635023	ZINC000354706666	ref	0.04	-12.8	0	282.306	1.148	2	3	7	CC[C@@H](O)CCCNC(=O)C1CN(CC(F)(F)F)C1
365635031	ZINC000354707913	ref	5.77	-11.19	0	290.411	1.559	1	3	2	CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCc2nccn21
282122532	ZINC000331775061	ref	6.47	-41.28	1	323.437	0.567	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)CCO1
342595831	ZINC000616965119	ref	4.4	-17.25	0	274.364	1.821	2	2	5	CC(C)[C@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1
342595832	ZINC000616973353	ref	2.33	-14.83	0	278.274	1.36	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F
282122533	ZINC000331775061	high	3.92	-9.84	0	323.437	0.567	0	4	2	CN(C)C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]3CCC[C@H]32)CCO1
365635039	ZINC000354707913	mid	8.54	-86.17	2	290.411	1.559	1	3	2	CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCc2nccn21
136229229	ZINC000232473168	low	5.44	-121.34	2	220.316	1.999	2	1	3	c1cc2c(o1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1
342595833	ZINC000616973401	ref	2.22	-17.6	0	296.33	1.125	2	4	3	O=C(N[C@@H]1CCNC1=O)c1nc2ccccc2nc1C1CC1
136229230	ZINC000137049359	ref	5.65	-18.73	0	236.271	-0.814	0	3	6	C#CCN(CC#C)C(=O)CN(C)C(=O)COC
214185421	ZINC000278486469	ref	7.63	-11.47	0	317.433	3.072	1	4	4	CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCCCC2)nc1
342595834	ZINC000616965113	ref	5.56	-20.07	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12
214185425	ZINC000278486536	ref	6.95	-10.66	0	303.406	2.433	1	2	3	CC(C)[C@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)c2ccccc21
214185428	ZINC000278486129	ref	5.26	-9.62	0	307.39	2.178	1	4	6	COc1ccc(OC)c(CCC(=O)N[C@H]2CCOC[C@H]2C)c1
398249146	ZINC000053097505	ref	6.45	-22.92	1	212.362	2.79	2	2	1	CC(C)NC1=[NH+]C2(CCCCC2)CS1
214185431	ZINC000278485891	ref	8.49	-13.26	0	324.388	2.054	1	6	5	CC(C)c1nn(C)cc1C(=O)NCc1ncnn1-c1ccccc1
187169735	ZINC000125093370	mid	8.66	-36.75	1	266.41	2.438	1	2	5	CC[C@H]1CC[N@@H+](CC(=O)N(C)Cc2cccs2)C1
214185434	ZINC000278485106	ref	4.65	-11.75	0	314.385	1.895	2	4	9	C#CCC(CC#C)C(=O)NCCNc1cc(OC)cc(OC)c1
214185437	ZINC000278484887	ref	9.14	-12.25	0	316.453	3.24	1	6	8	CCCC[C@H](CC)Nc1cnn(Cc2nnc3n2CCCC3)c1
342595835	ZINC000616973425	ref	2.0	-18.33	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(F)cc1Cl
365635027	ZINC000623066829	ref	2.65	-42.28	1	324.837	1.665	1	4	2	CN1CCN(C(=O)c2nc3cc(Cl)ccc3s2)[C@H](C[NH3+])C1
365635033	ZINC000623066829	high	2.34	-5.17	0	324.837	1.665	1	5	2	CN1CCN(C(=O)c2nc3cc(Cl)ccc3s2)[C@H](CN)C1
365635038	ZINC000623067810	ref	2.61	-67.56	1	301.35	1.938	2	4	3	C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ncon2)cc1
365635048	ZINC000623066896	ref	5.37	-37.01	1	312.373	1.17	1	4	4	CCn1cc(C(=O)C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cn1
365635052	ZINC000623066896	high	5.14	-7.39	0	312.373	1.17	1	5	4	CCn1cc(C(=O)C(=O)N2CCc3ccccc3[C@H]2CN)cn1
365635057	ZINC000623067716	ref	3.06	-52.48	1	302.403	1.809	2	4	2	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc2cccnc2s1
365635063	ZINC000623067321	ref	2.69	-55.78	1	304.35	1.207	1	5	8	COCc1nc(C(=O)N(CCC[NH3+])Cc2ccccc2)no1
342595836	ZINC000616965112	ref	5.48	-18.38	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12
365635067	ZINC000623067888	ref	2.63	-58.73	1	309.366	1.666	2	4	4	COc1cc(NC(=O)N2CC[C@H]([NH3+])[C@H]2C)cc(OC)c1OC
365635075	ZINC000623066644	ref	7.4	-37.29	1	311.389	1.391	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCc2ccccc2[C@H]1C[NH3+]
365635081	ZINC000623066644	high	7.29	-6.47	0	311.389	1.391	1	5	3	Cn1nc(C2CC2)nc1C(=O)N1CCc2ccccc2[C@H]1CN
365635084	ZINC000623067005	ref	5.06	-63.44	1	314.393	1.748	3	4	4	C[C@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
214185427	ZINC000293573639	high	2.12	-15.39	0	359.43	0.978	1	7	7	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCc1nc(-c2ccccn2)no1
214185430	ZINC000293583774	ref	-0.02	-8.35	0	365.43	0.476	2	6	5	COc1cc(NC(=O)C(=O)N2CCN(C[C@H](C)O)CC2)cc(OC)c1C
342595837	ZINC000616965046	ref	2.51	-15.54	0	272.757	1.339	2	3	4	O=C(CCc1cc(Cl)cs1)N[C@H]1CCNC1=O
365635091	ZINC000623067613	ref	1.55	-69.31	1	311.407	1.291	2	3	3	C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
365635095	ZINC000623067375	ref	4.52	-58.16	1	324.182	1.053	1	4	1	C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1nc2ccc(Br)cn2n1
365635101	ZINC000623067361	ref	3.17	-66.94	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc(OC)c1OC
192037658	ZINC000418432099	ref	-1.02	-47.13	1	229.324	0.208	4	2	7	C=CC[C@@H](CO)CNC(=O)NCC(C)(C)[NH3+]
365639191	ZINC000274368223	ref	2.9	-13.54	0	264.329	1.491	2	4	3	CN(C(=O)Nc1cncnc1)C1CCC(CO)CC1
214185432	ZINC000293583774	low	2.26	-43.75	1	365.43	0.476	3	5	5	COc1cc(NC(=O)C(=O)N2CC[NH+](C[C@H](C)O)CC2)cc(OC)c1C
398249151	ZINC000053097505	high	5.75	-3.09	0	212.362	2.79	1	3	1	CC(C)NC1=NC2(CCCCC2)CS1
178302102	ZINC000000374700	ref	7.25	-8.72	0	241.216	2.934	0	3	1	Cc1cc2nc(C3CC3)cc(C(F)(F)F)n2n1
342595838	ZINC000616973354	ref	2.32	-17.05	0	278.274	1.36	2	2	2	O=C1NCC[C@H]1NC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F
398249156	ZINC000336779758	ref	8.77	-94.64	2	230.371	2.446	2	0	8	C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]1CCF
342595839	ZINC000616973398	ref	2.44	-18.02	0	273.119	1.612	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(Cl)cc1Cl
342595840	ZINC000616965258	ref	4.74	-17.66	0	292.404	1.808	2	3	5	CC(C)[C@@H](Sc1ccccc1)C(=O)N[C@H]1CCNC1=O
214185435	ZINC000293585099	ref	4.09	-12.1	0	360.374	0.622	2	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCC[C@H]1c1cc[nH]n1
214185439	ZINC000293578257	ref	3.75	-17.61	0	370.427	0.472	0	6	6	CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCN(C)C(=O)C2)c1
214185442	ZINC000293573655	ref	2.79	-17.33	0	350.326	0.324	1	7	3	Cn1cc(S(=O)(=O)N[C@@H]2CCc3ncnn3C2)c(C(F)(F)F)n1
342595841	ZINC000616973332	ref	3.99	-15.04	0	276.38	1.598	2	2	3	O=C(CC12CC3CC(CC(C3)C1)C2)N[C@@H]1CCNC1=O
365635042	ZINC000354707913	mid	8.07	-86.69	2	290.411	1.559	0	4	2	CC(C)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCCc2nccn21
342595842	ZINC000616965051	ref	3.85	-15.57	0	266.385	1.844	2	2	3	C[C@@H]1C[C@H](CC(=O)N[C@H]2CCNC2=O)CC(C)(C)C1
365635047	ZINC000354707913	low	8.54	-86.17	2	290.411	1.559	1	2	2	CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21
299072210	ZINC000567662727	ref	7.04	-7.79	0	254.337	2.282	2	3	4	c1ccc([C@@H](N[C@H]2C[C@@H]3C[C@@H]3C2)c2nc[nH]n2)cc1
199273346	ZINC000294964709	low	8.32	-111.96	2	259.397	2.147	2	1	5	Cc1cccnc1CC[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1
214185445	ZINC000293573655	mid	2.42	-42.94	-1	350.326	0.324	0	7	3	Cn1cc(S(=O)(=O)[N-][C@@H]2CCc3ncnn3C2)c(C(F)(F)F)n1
214185448	ZINC000293582686	ref	3.67	-19.03	0	362.39	0.018	2	8	7	CCOC(=O)c1cc(NC(=O)C(=O)NCCCc2cnn(C)n2)cn1C
342595843	ZINC000616965078	ref	3.39	-16.69	0	264.3	1.324	2	2	4	C[C@H](CC(=O)N[C@H]1CCNC1=O)c1cccc(F)c1
342595844	ZINC000616973326	ref	4.65	-17.3	0	272.348	1.412	2	2	3	Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@H]2CCNC2=O)cc1C
342595845	ZINC000616976525	ref	5.56	-7.82	0	280.372	1.89	0	5	5	CC[C@@H](C)N(CC)C(=O)c1cn(C2CCOCC2)nn1
398249463	ZINC000650875366	ref	6.96	-11.48	0	284.375	1.842	0	2	3	CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)N2CC[C@H](F)C2)C1
214185436	ZINC000053493041	ref	5.01	-46.0	1	348.447	1.713	3	3	5	NC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC1
197593129	ZINC000162802326	ref	5.62	-18.28	0	305.403	1.794	1	3	3	CN(C(=O)c1ccc(N2CCNC2=O)cc1)[C@@H]1CCSC1
214185438	ZINC000053493041	mid	2.91	-14.83	0	348.447	1.713	2	4	5	NC(=O)C1CCN(C(=O)NC[C@H](c2ccco2)N2CCCCC2)CC1
214185440	ZINC000053473864	ref	7.02	-13.7	0	336.388	1.592	0	5	4	COC(=O)c1cc(CN(C)C(=O)[C@@H]2CCCN(C(C)=O)C2)oc1C
214185443	ZINC000053465729	ref	6.16	-21.92	0	348.443	2.52	2	4	8	CNC(=O)COc1ccc(C(=O)NCCC2CCCCC2)cc1OC
365635054	ZINC000354707913	low	8.07	-86.69	2	290.411	1.559	1	2	2	CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21
398249155	ZINC000650870848	ref	2.61	-7.88	0	260.353	1.831	3	2	5	C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N[C@H](CO)CCF
398249160	ZINC000650870818	ref	4.32	-13.35	0	284.4	1.602	2	3	3	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C
342595846	ZINC000616976526	ref	5.68	-7.8	0	280.372	1.89	0	5	5	CC[C@H](C)N(CC)C(=O)c1cn(C2CCOCC2)nn1
365635060	ZINC000354706039	ref	2.88	-9.28	0	274.32	1.971	1	4	6	COC[C@H](Cc1ccccc1)NC(=O)c1ocnc1C
365635066	ZINC000354707675	ref	0.99	-8.17	0	296.371	1.899	2	5	5	COc1nn(C)cc1NC(=O)NCC1(OC)CCCCC1
299072212	ZINC000567662727	low	8.7	-40.39	1	254.337	2.282	2	2	4	c1ccc([C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)c2nnc[nH]2)cc1
299072215	ZINC000567662727	high	7.64	-30.72	0	254.337	2.282	1	2	4	c1ccc([C@@H]([NH2+][C@H]2C[C@@H]3C[C@@H]3C2)c2nnc[n-]2)cc1
349534809	ZINC000093273976	low	3.54	-43.23	1	290.371	0.912	1	6	5	CCn1cc(C[NH+]2CCN(Cc3noc(C)n3)CC2)cn1
342595847	ZINC000194412264	ref	5.45	-13.49	0	252.314	1.672	1	4	5	CCOC(=O)CCC(=O)NC1(C#N)CCCCC1
342595848	ZINC000616973370	ref	2.36	-15.63	0	293.392	1.809	2	4	3	O=C(N[C@@H]1CCNC1=O)c1csc(C2CCCCC2)n1
342595849	ZINC000616973331	ref	4.0	-15.02	0	276.38	1.598	2	2	3	O=C(CC12CC3CC(CC(C3)C1)C2)N[C@H]1CCNC1=O
259308310	ZINC000356848167	ref	3.41	-6.23	0	239.359	2.112	2	2	4	C=C[C@H](CO)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1
342595850	ZINC000616965122	ref	4.39	-17.28	0	274.364	1.821	2	2	5	CC(C)[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1ccccc1
342595851	ZINC000616965120	ref	4.39	-17.4	0	274.364	1.821	2	2	5	CC(C)[C@@H](CC(=O)N[C@H]1CCNC1=O)c1ccccc1
342595852	ZINC000364818913	ref	6.32	-12.65	0	283.335	1.823	1	5	5	CC(C)(C#N)CC(=O)NCc1ccnc(-n2cccn2)c1
398249158	ZINC000651463699	ref	8.32	-41.43	1	281.346	3.355	1	1	5	CO[C@H](C1CC1)[C@@H](C)[NH2+][C@H]1CCc2c(F)cc(F)cc21
214185441	ZINC000278486578	ref	5.67	-48.05	1	303.402	2.279	2	3	8	C#CCOc1ccc([C@@H](C)[NH2+]CC2(O)CC(OCC)C2)cc1
398249162	ZINC000651463699	high	7.38	-3.03	0	281.346	3.355	1	2	5	CO[C@H](C1CC1)[C@@H](C)N[C@H]1CCc2c(F)cc(F)cc21
349534810	ZINC000602431161	mid	6.93	-38.46	1	241.331	1.44	1	3	5	COC(=O)[C@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1
349534815	ZINC000602430374	ref	3.79	-47.09	1	223.32	1.137	1	2	4	CCC(C#N)(CC)C(=O)N(C)[C@H]1CC[NH2+]C1
398249166	ZINC000651463703	ref	7.05	-41.29	1	262.397	3.163	1	2	6	CO[C@H](C1CC1)[C@H](C)[NH2+][C@H](C)c1ccc(C)nc1C
342079064	ZINC000625299049	mid	2.89	-13.7	0	295.364	1.675	2	4	6	CC(C)Oc1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1
349534820	ZINC000258905820	ref	6.29	-34.46	1	235.371	2.658	2	1	6	Cc1ccc(C[NH2+]C[C@H](CO)C(C)C)cc1C
349534827	ZINC000602430367	ref	6.48	-41.62	1	224.304	1.95	2	2	4	COC(=O)c1[nH]c(C[N@H+](C)C(C)C)cc1C
342079065	ZINC000625299049	low	3.4	-44.31	1	295.364	1.675	2	3	6	CC(C)Oc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1
178302114	ZINC000039408321	ref	7.03	-6.81	0	205.688	3.813	0	1	0	Cc1cc2nc(Cl)cc(C)c2cc1C
398249168	ZINC000651463703	high	6.37	-4.0	0	262.397	3.163	1	3	6	CO[C@H](C1CC1)[C@H](C)N[C@H](C)c1ccc(C)nc1C
349534831	ZINC000602430367	mid	6.74	-41.7	1	224.304	1.95	2	2	4	COC(=O)c1[nH]c(C[N@@H+](C)C(C)C)cc1C
398249172	ZINC000651462654	ref	5.97	-48.48	1	291.42	3.351	2	3	4	Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2cccs2)C1
349534834	ZINC000602430367	high	4.43	-5.79	0	224.304	1.95	1	3	4	COC(=O)c1[nH]c(CN(C)C(C)C)cc1C
168364835	ZINC000133372823	ref	6.31	-39.85	1	209.337	2.507	1	2	6	CCC(CC)C[NH2+][C@H](C)c1cnn(C)c1
398249175	ZINC000651462654	mid	5.87	-44.73	1	291.42	3.351	2	3	4	Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCO[C@H](c2cccs2)C1
349534837	ZINC000258903265	ref	6.24	-41.98	-1	236.271	1.65	0	4	2	CN(C(=O)c1ccc(C(=O)[O-])cn1)C(C)(C)C
398249177	ZINC000651463374	ref	12.64	-12.31	0	295.39	3.422	1	5	5	CCc1cccc(CNc2cc(C(C)C)nc3ncnn23)c1
185088855	ZINC000096072146	ref	4.85	-7.3	0	283.375	2.558	1	3	3	c1ccc([C@H]2CO[C@]3(CCN(Cc4cc[nH]n4)C3)C2)cc1
178302131	ZINC000073735717	ref	3.68	-43.41	-1	240.65	1.416	2	5	3	Cc1cc2nc(Cl)nc(NCC(=O)[O-])c2[nH]1
214185444	ZINC000278486461	ref	8.19	-13.51	0	315.373	2.889	1	5	5	CC[C@]1(C)Oc2ccc(NC(=O)CCc3cncn3C)cc2O1
214185447	ZINC000278486461	low	8.7	-41.8	1	315.373	2.889	1	4	5	CC[C@]1(C)Oc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2O1
365635073	ZINC000354707549	ref	8.52	-9.75	0	299.367	1.52	0	5	7	CCOC(=O)CN(C(=O)C[C@@H](C)C(=O)OC)C1CCCC1
136229231	ZINC000184916689	ref	8.16	-8.07	0	245.366	3.256	1	1	6	C=C(C)C[C@H](C)C(=O)NCCc1ccccc1C
214185446	ZINC000053477441	ref	3.43	-14.73	0	333.413	1.35	2	4	4	CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CCc3ccccc32)n(C)c1
214190432	ZINC000053601853	ref	7.9	-9.11	0	339.464	4.154	2	5	4	Cc1nc(NCc2ccc([C@H](C)O)cc2)c2c3c(sc2n1)CCC3
282122534	ZINC000335359847	ref	7.3	-37.99	1	266.385	1.356	1	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CCO1
282122535	ZINC000335359847	high	4.85	-7.94	0	266.385	1.356	0	3	3	CN(C)C[C@@H]1CN(C(=O)C2CC3(CCC3)C2)CCO1
282122536	ZINC000408285498	ref	3.41	-41.64	1	270.373	0.327	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCO1
185088857	ZINC000096072146	mid	7.44	-35.22	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@]3(CC[N@@H+](Cc4cc[nH]n4)C3)C2)cc1
365635076	ZINC000354707550	ref	8.54	-9.32	0	299.367	1.52	0	5	7	CCOC(=O)CN(C(=O)C[C@H](C)C(=O)OC)C1CCCC1
342595853	ZINC000616965235	ref	3.31	-17.62	0	290.363	1.269	2	3	5	COc1ccccc1CC(C)(C)C(=O)N[C@H]1CCNC1=O
365635082	ZINC000354705982	ref	-1.73	-11.07	0	291.311	1.154	2	6	5	COc1ccc(CNC(=O)Nc2cn(C)nc2OC)cn1
342595854	ZINC000616964989	ref	3.94	-16.88	0	278.377	1.419	2	3	5	C[C@H](CSc1ccccc1)C(=O)N[C@H]1CCNC1=O
214190435	ZINC000053598779	ref	3.71	-18.17	0	344.437	1.107	1	5	4	CCCNC(=O)N1CCCN(S(=O)(=O)c2c(C)noc2C)CC1
190493705	ZINC000269433486	ref	8.55	-10.41	0	295.452	3.212	0	4	6	CCC(CC)n1ccc(C(=O)N2CCC[C@H]2CSC)n1
342595855	ZINC000616973328	ref	2.49	-18.99	0	298.289	1.225	2	3	6	O=C(CCc1cccc(OC(F)F)c1)N[C@H]1CCNC1=O
349534813	ZINC000093289559	ref	5.02	-55.58	1	254.355	0.737	1	3	4	CN(CCc1cccs1)C(=O)[C@@H]1C[NH2+]CCO1
197593142	ZINC000162803598	ref	2.16	-9.18	0	301.383	1.882	2	3	4	Cc1cc(S(=O)(=O)NC[C@@H]2CCC[C@H]2O)cc(C)c1F
342595856	ZINC000616973303	ref	4.04	-17.28	0	258.321	1.103	2	2	3	Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@H]2CCNC2=O)cc1
342595857	ZINC000616973397	ref	2.44	-17.99	0	273.119	1.612	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Cl)cc1Cl
349534817	ZINC000093289559	mid	3.66	-12.27	0	254.355	0.737	1	4	4	CN(CCc1cccs1)C(=O)[C@@H]1CNCCO1
214190439	ZINC000053604343	ref	-0.12	-18.96	0	332.429	1.605	2	5	7	CC(C)N(CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
214190444	ZINC000053604343	low	1.61	-46.12	1	332.429	1.605	3	4	7	CC(C)[N@H+](CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
342079066	ZINC000625299049	low	3.39	-44.3	1	295.364	1.675	2	3	6	CC(C)Oc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1
365635086	ZINC000354707751	ref	0.4	-7.97	0	284.36	1.611	2	5	7	CCOC[C@H](NC(=O)Nc1cn(C)nc1OC)C(C)C
342079067	ZINC000625299388	ref	6.69	-17.43	0	288.395	1.254	0	4	3	Cn1ccnc1CN1CCCN(C(=O)C23CC(C2)C3)CC1
214185449	ZINC000278485685	ref	6.0	-19.36	0	313.329	1.866	0	5	3	O=S(=O)(Cc1nnc2n1CCCC2)c1ccc(F)c(F)c1
214185451	ZINC000278484916	ref	6.77	-38.51	1	305.451	2.505	1	5	4	Cc1nc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)cs1
185088858	ZINC000096072146	mid	7.55	-36.74	1	283.375	2.558	2	2	3	c1ccc([C@H]2CO[C@]3(CC[N@H+](Cc4cc[nH]n4)C3)C2)cc1
342079068	ZINC000625299388	low	7.07	-36.02	1	288.395	1.254	0	3	3	Cn1cc[nH+]c1CN1CCCN(C(=O)C23CC(C2)C3)CC1
365635090	ZINC000354708221	ref	5.43	-31.8	1	254.418	1.954	2	2	4	CN1CC[N@H+](C[C@@H](O)CC2CCCC2)C(C)(C)C1
214185453	ZINC000278484916	mid	5.7	-6.34	0	305.451	2.505	1	6	4	Cc1nc([C@@H](C)N[C@@H]2CCCN(c3ccnn3C)C2)cs1
282122537	ZINC000408285498	high	0.86	-11.32	0	270.373	0.327	1	4	3	CN(C)C[C@@H]1CN(C(=O)C2CCC(O)CC2)CCO1
342079069	ZINC000625300611	ref	2.76	-38.25	1	291.391	1.94	3	3	7	COc1cccc(C2([NH2+]C[C@@H](O)CC3(O)CCC3)CC2)c1
282122538	ZINC000339459847	ref	1.97	-37.74	1	299.371	-0.929	2	4	4	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCO2)CCO1
365635096	ZINC000354708221	mid	5.07	-32.12	1	254.418	1.954	2	2	4	CN1CC[N@@H+](C[C@@H](O)CC2CCCC2)C(C)(C)C1
282122539	ZINC000339459847	high	-0.57	-6.79	0	299.371	-0.929	1	5	4	CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCO2)CCO1
282122540	ZINC000330026260	ref	2.31	-46.28	1	289.401	-0.316	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[S@](=O)C2)CCO1
214185458	ZINC000278486381	ref	8.22	-44.29	1	302.418	2.437	2	2	4	C[C@@H]1COCC[C@@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1
342079070	ZINC000625300611	high	1.66	-5.96	0	291.391	1.94	3	4	7	COc1cccc(C2(NC[C@@H](O)CC3(O)CCC3)CC2)c1
365635102	ZINC000354708221	mid	3.09	-2.12	0	254.418	1.954	2	2	4	C[N@@H+]1CCN(C[C@@H](O)CC2CCCC2)C(C)(C)C1
365635107	ZINC000354708221	mid	5.07	-32.12	1	254.418	1.954	2	2	4	C[N@H+]1CCN(C[C@@H](O)CC2CCCC2)C(C)(C)C1
365635112	ZINC000354708221	high	3.09	-2.12	0	254.418	1.954	1	3	4	CN1CCN(C[C@@H](O)CC2CCCC2)C(C)(C)C1
214185460	ZINC000278485341	ref	9.13	-42.13	1	303.414	1.254	2	6	3	CC(C)[NH+]1CCC(N(C)c2nc(N)c3cnn(C)c3n2)CC1
282122541	ZINC000330026260	mid	-0.25	-15.93	0	289.401	-0.316	1	4	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CC[S@](=O)C2)CCO1
365635087	ZINC000576596142	mid	4.95	-31.95	1	224.348	1.775	2	1	3	C[C@@H]1CCC(C)(C)[N@H+]1CC[C@@H]1CCNC1=O
365635092	ZINC000576594061	ref	2.27	-108.88	2	247.342	1.097	2	1	2	C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1
342595858	ZINC000616965075	ref	3.4	-18.33	0	264.3	1.324	2	2	4	C[C@H](CC(=O)N[C@@H]1CCNC1=O)c1cccc(F)c1
342595859	ZINC000616965173	ref	3.67	-18.02	0	290.363	1.385	2	3	5	Cc1cc(C)c(C)c(OCCC(=O)N[C@H]2CCNC2=O)c1
197593147	ZINC000162810392	ref	7.01	-11.66	0	311.41	3.497	2	3	3	N#Cc1cccc(CNC(=O)N[C@@H]2CCCc3sccc32)c1
197593149	ZINC000162800067	ref	8.95	-16.11	0	317.433	2.964	0	2	4	CCN(C(=O)N(C)[C@H]1CCCN(c2ccccc2)C1=O)C(C)C
342595860	ZINC000616973348	ref	4.38	-16.13	0	272.348	1.421	2	2	3	Cc1ccc(C2(C(=O)N[C@H]3CCNC3=O)CCC2)cc1
197593153	ZINC000162808651	ref	2.73	-14.83	0	300.343	2.149	1	6	4	CNC(=O)Cc1noc(-c2cnc(-c3ccccc3)s2)n1
342595861	ZINC000616965220	ref	4.25	-22.46	0	274.32	1.236	2	3	4	O=C(N[C@@H]1CCNC1=O)c1ccccc1OC1CCC1
197593156	ZINC000162802426	ref	5.61	-14.32	0	305.403	1.794	1	3	3	CN(C(=O)c1ccc(N2CCNC2=O)cc1)[C@H]1CCSC1
342595862	ZINC000616965104	ref	3.99	-44.49	1	289.379	1.074	3	2	6	CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
342595863	ZINC000616965104	mid	2.01	-16.93	0	289.379	1.074	2	3	6	CCN(CC)[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365635098	ZINC000576595139	ref	7.94	-7.39	0	231.339	3.471	1	1	7	C=CCCCCCNC(=O)c1ccccc1C
365635106	ZINC000576594778	ref	4.03	-7.28	0	226.364	1.736	2	1	5	CC(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1
342595864	ZINC000493112662	ref	2.5	-15.08	0	277.324	1.159	0	5	8	C=CCN(CCOC)C(=O)/C=C\c1cnc(OC)nc1
342595865	ZINC000616965279	ref	3.57	-19.5	0	280.274	1.073	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1
365635111	ZINC000576594778	mid	6.41	-35.65	1	226.364	1.736	2	1	5	CC(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1
214190433	ZINC000293661314	ref	1.97	-20.32	0	360.367	0.422	1	6	4	CN(C(=O)c1cc([N+](=O)[O-])c(F)cc1N)[C@H]1CCN(S(C)(=O)=O)C1
365635118	ZINC000576594778	high	4.03	-7.28	0	226.364	1.736	1	2	5	CC(C)[C@H](C)CNC(=O)CN1CC[C@H](C)C1
306234665	ZINC000557918982	mid	7.75	-49.18	1	335.423	1.888	2	2	6	CC[C@H]1C[N@@H+](C)CCN1C(=O)CCCNC(=O)c1ccc(F)cc1
199273347	ZINC000294963097	ref	6.77	-12.97	0	281.302	1.998	1	2	6	CCc1ccc(C#CC(=O)NCCOCC(F)F)cc1
365635125	ZINC000576594063	ref	2.24	-108.53	2	247.342	1.097	2	1	2	C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C[NH3+])cc1
185088859	ZINC000096073392	ref	6.68	-10.89	0	288.391	2.749	0	3	2	CC(C)[C@H]1CO[C@@]2(CCCN(C(=O)c3ccncc3)C2)C1
178302130	ZINC000082800547	ref	2.23	-35.41	1	289.177	1.06	2	3	5	C[NH2+][C@@](C)(C[C@H](C)n1cc(Br)cn1)C(N)=O
365635097	ZINC000172902448	high	1.66	-42.02	-1	276.296	1.011	1	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1cnn[n-]1
365635104	ZINC000172902448	high	1.75	-42.21	-1	276.296	1.011	1	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1cn[n-]n1
342079071	ZINC000608858805	ref	9.01	-13.99	0	293.348	1.931	0	7	6	COC(=O)CCSc1nncn1-c1ccc(OC)cc1
342079072	ZINC000625300309	ref	6.12	-49.64	1	286.379	1.725	1	4	6	Cn1cc(CC[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)nn1
178302134	ZINC000082802944	ref	1.71	-60.22	1	294.376	0.177	2	3	2	O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1C[NH2+]Cc2ccccc21
365635113	ZINC000643089969	ref	4.3	-8.07	0	266.341	1.524	1	3	3	O=C1N[C@@H](C2CCCCC2)C(=O)N1C[C@H]1CCOC1
365635121	ZINC000189248431	ref	6.38	-16.0	0	294.376	1.726	0	4	2	Cc1cc(C(=O)N2CSC[C@@H]2C(=O)N2CCCC2)co1
365635133	ZINC000172902443	ref	1.73	-10.55	0	276.296	1.011	2	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cn[nH]n1
365635140	ZINC000172902443	mid	1.79	-11.78	0	276.296	1.011	2	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cnn[nH]1
178302136	ZINC000082802944	high	0.23	-17.59	0	294.376	0.177	2	4	2	O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CNCc2ccccc21
342079073	ZINC000625300738	ref	5.79	-48.23	1	272.352	1.645	1	4	6	COc1cccc(C2([NH2+]CCc3cn(C)nn3)CC2)c1
342079074	ZINC000625300738	high	4.77	-14.11	0	272.352	1.645	1	5	6	COc1cccc(C2(NCCc3cn(C)nn3)CC2)c1
365635147	ZINC000172902443	high	1.54	-41.81	-1	276.296	1.011	1	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1c[n-]nn1
342079075	ZINC000625297928	ref	4.8	-13.03	0	283.375	1.988	2	2	3	C[N@@H+]1CCC[C@H](NC(=O)Cc2cccc3cnccc23)C1
178302142	ZINC000082799046	ref	4.35	-45.86	1	267.46	1.931	1	3	9	CCC[NH2+][C@@H](C)C[C@@H](C)SCCS(C)(=O)=O
365635151	ZINC000172902443	high	1.61	-41.91	-1	276.296	1.011	1	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cnn[n-]1
178302144	ZINC000082798616	ref	2.54	-45.68	1	251.392	1.214	1	3	9	CC[NH2+][C@H](C)C[C@@H](C)S(=O)(=O)CCCOC
178302145	ZINC000082800550	ref	2.12	-34.78	1	289.177	1.06	2	3	5	C[NH2+][C@](C)(C[C@@H](C)n1cc(Br)cn1)C(N)=O
178302146	ZINC000082800544	ref	5.12	-30.69	0	290.161	1.659	1	4	5	C[NH2+][C@@](C)(C[C@@H](C)n1cc(Br)cn1)C(=O)[O-]
365635154	ZINC000172902443	high	1.71	-42.09	-1	276.296	1.011	1	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cn[n-]n1
136229232	ZINC000184900724	ref	8.1	-11.55	0	243.306	2.606	0	2	4	CC#CCCOc1ccc(N2CCCC2=O)cc1
185088860	ZINC000096072920	ref	0.97	-17.06	0	277.324	0.246	2	5	3	O=C(CO)N1CC[C@@]2(C[C@@H](Nc3cccnc3)CO2)C1
365635100	ZINC000274357325	ref	4.91	-33.64	1	290.411	1.38	0	3	5	CCN(CC)C(=O)CN1CCN(c2cc[nH+]c(C)c2)CC1
214185450	ZINC000293580731	ref	7.68	-17.22	0	355.377	0.943	2	7	4	Nc1ncnc2c1ncn2CC(=O)N[C@@H]1CCN(c2ccccc2F)C1
365635109	ZINC000274357325	low	7.08	-87.19	2	290.411	1.38	1	2	5	CCN(CC)C(=O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1
365635116	ZINC000274360193	ref	6.27	-77.92	2	277.412	1.919	2	2	5	Cc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc[nH+]1
365635123	ZINC000274358858	ref	6.44	-8.08	0	295.408	1.528	0	5	3	CCC1(CC)CN(C(=O)c2ccc(=O)n(C)n2)CCS1
342595866	ZINC000616965045	ref	2.5	-15.74	0	272.757	1.339	2	3	4	O=C(CCc1cc(Cl)cs1)N[C@@H]1CCNC1=O
342595867	ZINC000493112661	ref	2.76	-13.12	0	277.324	1.159	0	5	8	C=CCN(CCOC)C(=O)/C=C/c1cnc(OC)nc1
342595868	ZINC000616965139	ref	4.19	-17.99	0	258.321	1.485	2	2	5	O=C(CC/C=C/c1ccccc1)N[C@@H]1CCNC1=O
342595869	ZINC000616965036	ref	3.26	-17.21	0	280.755	1.622	2	2	3	CC(C)(C(=O)N[C@H]1CCNC1=O)c1ccccc1Cl
349534814	ZINC000618813005	ref	3.95	-9.37	0	254.677	1.334	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Cl)o1
214185452	ZINC000293578077	ref	4.91	-24.22	0	365.415	0.525	2	7	6	Cn1cnc(NC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)n1
214185454	ZINC000293585252	ref	0.76	-15.11	0	374.441	0.783	4	4	6	CC1(C)CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1
214185456	ZINC000293577996	ref	2.06	-18.55	0	373.457	0.775	3	5	9	CCC[C@@H](C)C(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1
214185459	ZINC000293577994	ref	2.06	-18.48	0	373.457	0.775	3	5	9	CCC[C@@H](C)C(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1
214185461	ZINC000293579414	ref	5.87	-23.4	0	366.447	0.003	0	8	5	O=S(=O)(CC[C@H]1CCOC1)N1CCN(c2ccc3nncn3n2)CC1
214185463	ZINC000293584699	ref	6.71	-47.7	1	359.47	0.949	2	3	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
214185466	ZINC000293584699	mid	6.95	-46.91	1	359.47	0.949	2	3	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
214185468	ZINC000293584699	high	5.31	-13.24	0	359.47	0.949	1	4	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1
282122542	ZINC000332008091	ref	5.29	-80.83	2	338.452	-0.482	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1
365635103	ZINC000641602686	ref	5.56	-13.13	0	282.347	1.416	2	4	6	NC(=O)Cc1ccc(CNc2cc(C3CC3)ncn2)cc1
398249163	ZINC000650870881	ref	2.04	-13.13	0	267.373	1.374	3	2	3	C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)N[C@@H]1C[C@H](C(N)=O)C1
365635110	ZINC000641602817	ref	6.23	-8.81	0	269.344	1.484	1	2	1	O=C([C@@H]1C[C@]12CCc1ccccc12)N1C[C@H]2C[C@@]2(O)C1
365635115	ZINC000641599570	ref	3.36	-14.96	0	289.379	1.633	2	4	3	CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(CO)ccn3)[C@H]2C1
365635120	ZINC000641599570	low	3.83	-36.67	1	289.379	1.633	2	3	3	CC(=O)N1C[C@@H]2CCC[C@H](Nc3cc(CO)cc[nH+]3)[C@H]2C1
365635126	ZINC000641599717	ref	-0.43	-17.07	0	290.385	1.562	1	5	8	COCCCS(=O)(=O)NCc1oc(C(C)C)nc1C
365635132	ZINC000641599627	ref	0.9	-12.02	0	289.401	1.783	1	4	7	CCCN(C)S(=O)(=O)NCc1oc(C(C)C)nc1C
185386263	ZINC000096747859	ref	5.97	-11.78	0	311.765	3.892	1	2	4	O=S(=O)(/C=C\c1ccccc1)Nc1ccc(F)c(Cl)c1
185088863	ZINC000096072110	ref	4.52	-19.01	0	293.367	0.927	0	5	5	COCC[C@H]1CO[C@]2(CCN(C(=O)Cn3cccn3)C2)C1
365635137	ZINC000641602943	ref	7.01	-45.55	1	288.399	1.44	2	5	6	CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc(-c2ccnn2C)nn1
398249167	ZINC000650874268	ref	2.35	-10.58	0	284.4	1.796	3	3	5	C[C@@H](NC(=O)NCC[C@]1(O)CCCOC1)C1CCCC1
178302141	ZINC000062524972	ref	4.82	-5.64	0	207.66	3.667	0	2	1	Cc1cc2nc(C3CC3)oc2cc1Cl
365635143	ZINC000641602943	mid	7.3	-45.41	1	288.399	1.44	2	5	6	CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(-c2ccnn2C)nn1
365635148	ZINC000641599573	ref	3.5	-14.89	0	289.379	1.633	2	4	3	CC(=O)N1C[C@H]2[C@@H](Nc3cc(CO)ccn3)CCC[C@H]2C1
178302143	ZINC000040308821	ref	5.46	-11.41	0	232.327	2.801	1	3	3	Cc1cc2nc(CO)n(CC(C)C)c2cc1C
398249170	ZINC000650870822	ref	4.31	-10.62	0	284.4	1.602	2	3	3	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C
178302151	ZINC000085389187	ref	6.07	-30.68	1	220.301	1.818	3	2	1	Cc1cc2nc(NC(N)=[NH2+])sc2cc1C
178302158	ZINC000085389187	mid	5.96	-10.57	0	220.301	1.818	3	3	1	Cc1cc2nc(NC(=N)N)sc2cc1C
178302161	ZINC000000374915	ref	7.13	-8.49	0	223.226	2.853	0	3	2	Cc1cc2nc(C3CC3)cc(C(F)F)n2n1
349534816	ZINC000594968983	high	5.54	-14.86	0	287.375	2.744	1	2	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(F)c(F)c2)C1
365639194	ZINC000623071156	ref	2.61	-46.04	1	320.212	1.095	1	4	2	[NH3+]C[C@@H]1CN(C(=O)c2ncc(Br)s2)CCCO1
342595870	ZINC000616965197	ref	3.76	-15.84	0	252.358	1.598	2	2	5	CC[C@@H](CC1CCCC1)C(=O)N[C@@H]1CCNC1=O
178302147	ZINC000082799068	ref	5.54	-40.24	1	260.432	2.083	1	5	6	C[NH2+][C@@H](C)C[C@H](C)Sc1nnc(N(C)C)s1
342595871	ZINC000616965077	ref	3.39	-16.66	0	264.3	1.324	2	2	4	C[C@@H](CC(=O)N[C@@H]1CCNC1=O)c1cccc(F)c1
365635105	ZINC000623066762	ref	3.35	-56.08	1	315.377	1.887	4	3	5	C[NH2+][C@@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
342595872	ZINC000616973325	ref	4.65	-18.29	0	272.348	1.412	2	2	3	Cc1ccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CCNC2=O)cc1C
342595873	ZINC000616965114	ref	5.56	-18.69	0	294.354	1.948	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12
282122543	ZINC000332008091	mid	5.3	-78.66	2	338.452	-0.482	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCO1
197593168	ZINC000290095549	ref	2.14	-15.35	0	299.396	0.864	1	4	5	CN(CC(C)(C)C)C(=O)CNS(=O)(=O)c1cccnc1
282122544	ZINC000332008091	high	2.75	-40.49	1	338.452	-0.482	2	4	3	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCO1
197593171	ZINC000290097382	ref	6.62	-14.8	0	275.352	2.194	2	3	3	C[C@H]1CCN(C(=O)Nc2cc(C3CC3)ccn2)[C@H]1CO
342595874	ZINC000590781546	ref	5.89	-8.52	0	285.347	1.968	2	3	4	Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](C)C2CC2)c1
342595875	ZINC000616965199	ref	3.48	-16.5	0	252.358	1.598	2	2	5	CC[C@H](CC1CCCC1)C(=O)N[C@@H]1CCNC1=O
342595876	ZINC000616965172	ref	3.67	-18.05	0	290.363	1.385	2	3	5	Cc1cc(C)c(C)c(OCCC(=O)N[C@@H]2CCNC2=O)c1
342595877	ZINC000616973402	ref	2.22	-17.61	0	296.33	1.125	2	4	3	O=C(N[C@H]1CCNC1=O)c1nc2ccccc2nc1C1CC1
178302152	ZINC000082802899	ref	3.87	-49.79	1	268.316	2.218	3	2	2	O=C(Nc1cccc(O)c1)[C@H]1C[NH2+]Cc2ccccc21
192037659	ZINC000418465229	ref	4.55	-45.39	1	227.352	1.283	2	1	5	CCC[NH2+]CCNC(=O)N1C[C@H](C)[C@@H](C)C1
365639444	ZINC000123626505	ref	5.29	-13.91	0	282.384	2.326	1	3	4	C=CCNC(=O)[C@]1(CC)CCN(C(=O)OC(C)(C)C)C1
214185462	ZINC000278485341	low	9.49	-83.58	2	303.414	1.254	2	5	3	CC(C)[NH+]1CCC(N(C)c2nc3c(cnn3C)c(N)[nH+]2)CC1
214185464	ZINC000278485341	high	6.71	-9.17	0	303.414	1.254	1	7	3	CC(C)N1CCC(N(C)c2nc(N)c3cnn(C)c3n2)CC1
178302153	ZINC000082802899	high	2.14	-11.62	0	268.316	2.218	3	3	2	O=C(Nc1cccc(O)c1)[C@H]1CNCc2ccccc21
342595878	ZINC000616973363	ref	3.04	-18.23	0	287.146	1.541	2	2	3	O=C(Cc1ccc(Cl)cc1Cl)N[C@H]1CCNC1=O
342595879	ZINC000616964988	ref	3.94	-17.06	0	278.377	1.419	2	3	5	C[C@@H](CSc1ccccc1)C(=O)N[C@H]1CCNC1=O
365635108	ZINC000623066762	high	2.25	-82.47	0	315.377	1.887	3	3	5	C[NH2+][C@@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
365635114	ZINC000623067523	ref	0.75	-46.99	-1	319.39	1.966	2	5	1	CC1(C)C[C@@H](NC(=O)N=c2[n-]ncs2)c2cc(N)ccc2O1
214185465	ZINC000278485065	ref	5.78	-14.35	0	319.879	2.778	1	3	6	C[C@@H](CC[S@](C)=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1
178302148	ZINC000237221111	ref	5.37	-44.2	1	372.435	1.943	3	2	8	C[NH2+]CC(=O)NCCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1
214185467	ZINC000278486654	ref	1.22	-13.34	0	313.35	1.656	2	6	9	COC[C@@H](C)OC[C@@H](O)COc1ccc(NC(=O)OC)cc1
178302159	ZINC000237221111	high	5.37	-44.2	1	372.435	1.943	2	3	8	C[NH2+]CC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
178302163	ZINC000237203155	ref	3.94	-49.64	1	353.488	1.445	2	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)C1
178302167	ZINC000237222037	ref	4.59	-45.37	1	358.408	1.553	3	2	7	C[NH2+]CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1
214185469	ZINC000278485563	ref	5.19	-11.17	0	305.407	2.105	2	5	6	CSCCC(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1
214185471	ZINC000278485978	ref	7.42	-48.2	1	308.397	2.573	2	2	6	CCOc1ccc(C[NH+]2CCC(CC(=O)NC)CC2)cc1F
365635119	ZINC000623067306	ref	4.98	-73.1	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C
214185473	ZINC000278485978	mid	5.01	-10.49	0	308.397	2.573	1	3	6	CCOc1ccc(CN2CCC(CC(=O)NC)CC2)cc1F
214185475	ZINC000278486272	ref	5.23	-14.82	0	312.385	2.399	2	3	10	CN(CCOc1ccc(F)cc1)C(=O)NCCCCCCO
214185476	ZINC000278485663	ref	2.98	-17.9	0	313.304	1.738	2	3	6	NC(=O)N1CCc2ccc(NC(=O)CCOCC(F)F)cc21
365635122	ZINC000623067624	ref	-0.41	-55.86	1	304.35	1.209	4	3	5	CC(C)(CCC[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
214185478	ZINC000278486031	ref	5.42	-41.45	1	311.788	2.468	2	3	7	Cn1cc([C@@H](CO)[NH2+]CCCc2c(F)cccc2Cl)cn1
214185480	ZINC000278486031	high	4.27	-9.38	0	311.788	2.468	2	4	7	Cn1cc([C@@H](CO)NCCCc2c(F)cccc2Cl)cn1
343993952	ZINC000079917697	mid	10.5	-99.62	2	288.439	2.008	4	0	7	CCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CCc1ccccc1
214185484	ZINC000278485280	ref	5.66	-6.02	0	319.283	3.237	1	5	4	CC1(CNc2cc(C(F)(F)F)ncc2[N+](=O)[O-])CCOCC1
214185487	ZINC000278486389	ref	8.22	-44.31	1	302.418	2.437	2	2	4	C[C@H]1COCC[C@H]1NC(=O)c1ccc(C[NH+]2CCCC2)cc1
342595880	ZINC000616973304	ref	4.03	-17.14	0	258.321	1.103	2	2	3	Cc1ccc([C@@H]2C[C@@H]2C(=O)N[C@@H]2CCNC2=O)cc1
365635117	ZINC000354707251	ref	3.35	-19.12	0	280.324	1.483	2	4	4	COc1cc[nH]c(=O)c1C(=O)N[C@@H](C)[C@H]1CCCCO1
365635124	ZINC000354705844	ref	5.68	-38.11	1	254.374	1.283	2	2	7	C[C@@H]1CC=CC[C@@H]1C(=O)NCCOCC[NH+](C)C
299072213	ZINC000354602275	ref	3.22	-16.23	0	339.436	0.374	1	4	6	COC[C@H](C(N)=O)N(C)C(=O)[C@H]1CCCC[C@H]1C(=O)N1CCCC1
365635128	ZINC000354705844	high	3.18	-7.31	0	254.374	1.283	1	3	7	C[C@@H]1CC=CC[C@@H]1C(=O)NCCOCCN(C)C
365635134	ZINC000354707252	ref	3.35	-18.96	0	280.324	1.483	2	4	4	COc1cc[nH]c(=O)c1C(=O)N[C@H](C)[C@@H]1CCCCO1
299072217	ZINC000354601967	ref	0.85	-17.4	0	327.425	0.324	3	4	6	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCOCC1
365635138	ZINC000354706426	ref	4.66	-8.38	0	293.367	1.413	1	6	3	COC(=O)C1(O)CCN(c2cc(C)nc(C(C)C)n2)CC1
342595881	ZINC000616965076	ref	3.4	-18.3	0	264.3	1.324	2	2	4	C[C@@H](CC(=O)N[C@H]1CCNC1=O)c1cccc(F)c1
197593173	ZINC000162804785	ref	3.33	-16.99	0	306.362	1.286	2	4	6	O=C(NCCCO)[C@@H]1CCCN1C(=O)OCc1ccccc1
214185470	ZINC000293573163	ref	1.21	-15.19	0	359.386	0.952	3	6	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(-c2ncon2)cc1)C(C)C
342600531	ZINC000616999781	low	6.93	-80.88	2	278.4	1.579	3	1	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCc2c[nH]c[nH+]2)C1
365635144	ZINC000354706426	low	5.14	-30.73	1	293.367	1.413	1	5	3	COC(=O)C1(O)CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1
187169736	ZINC000125093370	high	5.83	-6.45	0	266.41	2.438	0	3	5	CC[C@H]1CCN(CC(=O)N(C)Cc2cccs2)C1
214185472	ZINC000293575097	ref	2.03	-14.38	0	370.475	0.721	2	5	4	Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCO[C@@H]2C)C1
342600532	ZINC000616999726	ref	6.49	-40.92	1	292.427	1.589	2	3	5	Cn1nccc1CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600533	ZINC000616999726	mid	6.47	-41.46	1	292.427	1.589	2	3	5	Cn1nccc1CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
197593179	ZINC000162801039	ref	3.73	-7.5	0	321.851	2.637	1	4	4	O=S(=O)(N[C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)s1
214185474	ZINC000293573696	ref	0.28	-27.27	0	353.444	0.669	3	5	6	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CNc1ccccc1C(N)=O
342600534	ZINC000616999831	ref	5.09	-39.56	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCOC2)C1
365635150	ZINC000354706746	ref	3.4	-12.03	0	275.389	1.293	1	4	10	CC[C@H](C)C(=O)N(C)C[C@@H](O)COCCOC(C)C
365635158	ZINC000354705712	ref	7.74	-103.45	2	299.484	1.272	3	2	5	CC1CC[NH+](CC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1
178302154	ZINC000082802896	ref	5.48	-50.95	1	267.332	2.216	2	2	2	Cc1cc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)ccn1
178302155	ZINC000082802896	low	5.91	-88.67	2	267.332	2.216	2	1	2	Cc1cc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc[nH+]1
178302156	ZINC000082802896	high	3.85	-10.8	0	267.332	2.216	2	3	2	Cc1cc(NC(=O)[C@H]2CNCc3ccccc32)ccn1
342079076	ZINC000625297928	mid	7.69	-50.28	1	283.375	1.988	2	2	3	C[N@H+]1CCC[C@H](NC(=O)Cc2cccc3cnccc23)C1
282122545	ZINC000332008091	high	2.76	-38.34	1	338.452	-0.482	2	4	3	CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCO1
342079077	ZINC000625297928	high	4.8	-13.03	0	283.375	1.988	1	3	3	CN1CCC[C@H](NC(=O)Cc2cccc3cnccc23)C1
178302162	ZINC000082802901	ref	4.93	-49.38	1	270.336	0.923	2	3	3	Cn1ccnc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21
178302164	ZINC000082802901	low	5.41	-91.46	2	270.336	0.923	2	2	3	Cn1cc[nH+]c1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21
178302165	ZINC000082802901	high	3.46	-11.37	0	270.336	0.923	2	4	3	Cn1ccnc1CNC(=O)[C@@H]1CNCc2ccccc21
349534818	ZINC000618814111	ref	7.1	-22.87	0	290.392	1.874	0	5	5	Cc1ccc(SCC(=O)N(C)Cc2cn(C)nn2)cc1
282122546	ZINC000372783084	ref	7.38	-50.09	1	302.374	2.036	1	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C2=COCCC2)c2ccccc2O1
282122547	ZINC000372783084	high	4.86	-11.93	0	302.374	2.036	0	4	3	CN(C)C[C@@H]1CN(C(=O)C2=COCCC2)c2ccccc2O1
365635127	ZINC000623067624	high	-2.23	-84.35	0	304.35	1.209	3	3	5	CC(C)(CCC[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
178302168	ZINC000082798598	ref	2.74	-48.93	1	261.774	2.24	1	2	4	C[C@@H](C[C@@H](C)[NH3+])S(=O)(=O)c1cccc(Cl)c1
365635131	ZINC000623067397	ref	4.05	-44.63	1	304.213	1.715	1	3	4	CN(C(=O)c1ncc(Br)s1)[C@@H](C[NH3+])C1CC1
365635136	ZINC000623067002	ref	4.84	-62.99	1	314.393	1.748	3	4	4	C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365635141	ZINC000623067839	ref	5.37	-48.69	1	321.812	1.993	2	4	6	C[C@H](CCC[NH3+])NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365635146	ZINC000623067944	ref	2.27	-54.75	1	307.398	1.039	3	4	5	COCCn1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cn1
365635153	ZINC000623067043	ref	0.67	-48.56	1	304.177	1.839	4	2	4	O=C(Nc1ccc(Cl)cc1Cl)NC1(CCO)C[NH2+]C1
178302170	ZINC000082800220	ref	5.92	-14.15	0	260.742	2.481	0	3	4	CC(=O)C[C@@H](C)S(=O)(=O)c1cccc(Cl)c1
342079078	ZINC000077837785	ref	3.07	-39.43	1	285.432	1.711	4	2	8	CC[C@@H](CCO)NC(=O)NCC[N@@H+]1CCCC[C@H]1CC
197593181	ZINC000162801039	high	3.65	-36.32	-1	321.851	2.637	0	4	4	O=S(=O)([N-][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(Cl)s1
365635129	ZINC000274357234	ref	6.28	-45.49	1	275.356	1.567	2	3	2	CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cncnc1
365635135	ZINC000274357234	mid	5.98	-45.64	1	275.356	1.567	2	3	2	CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cncnc1
365635142	ZINC000274359465	ref	6.07	-15.64	0	286.339	1.617	1	5	3	O=C(Nc1cncnc1)N1CCC(Cn2cccn2)CC1
214185477	ZINC000293571719	ref	1.12	-21.01	0	351.359	0.371	3	6	8	O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CC[C@@H](CO)O1
349534819	ZINC000621494573	ref	7.64	-9.82	0	286.366	3.252	1	1	3	CC1(C)CN(C(=O)NCC[C@@H]2CC2(F)F)[C@@H]2CCC[C@H]21
342079079	ZINC000077837785	mid	2.75	-39.97	1	285.432	1.711	4	2	8	CC[C@@H](CCO)NC(=O)NCC[N@H+]1CCCC[C@H]1CC
342079080	ZINC000077837785	high	0.82	-7.99	0	285.432	1.711	3	3	8	CC[C@@H](CCO)NC(=O)NCCN1CCCC[C@H]1CC
214185479	ZINC000293581084	ref	3.79	-14.0	0	369.228	0.864	0	4	4	C[C@@H](C[S@@](C)=O)N(C)C(=O)c1cnn(C)c1I
342079081	ZINC000625299302	ref	3.99	-43.23	1	265.338	1.451	2	3	5	CCc1cccc(S(=O)(=O)NCc2c[nH]cn2)c1
342079082	ZINC000625299302	mid	3.97	-43.23	1	265.338	1.451	2	3	5	CCc1cccc(S(=O)(=O)NCc2cnc[nH]2)c1
342079083	ZINC000625299302	low	3.99	-43.23	1	265.338	1.451	2	2	5	CCc1cccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c1
197593185	ZINC000162801862	ref	5.8	-11.89	0	309.366	2.956	1	5	6	CC[C@@H](C(=O)Nc1nc(COC)ns1)c1ccc(F)cc1
342079084	ZINC000625299302	low	3.97	-43.23	1	265.338	1.451	2	2	5	CCc1cccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c1
342079085	ZINC000625299839	ref	4.37	-8.41	0	292.354	1.587	2	2	2	C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1
214185481	ZINC000293584617	ref	3.66	-16.77	0	373.456	0.328	0	7	4	COC(=O)c1cc(S(=O)(=O)N2CSC[C@@H]2C(=O)N(C)C)cnc1C
214185483	ZINC000293582894	ref	5.43	-47.18	1	358.446	0.815	2	6	6	C[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C)n1nnc(-c2ccccc2)n1
214185485	ZINC000293582894	mid	5.67	-47.09	1	358.446	0.815	2	6	6	C[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C)n1nnc(-c2ccccc2)n1
214185486	ZINC000293582894	high	4.17	-14.67	0	358.446	0.815	1	7	6	C[C@@H](C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C)n1nnc(-c2ccccc2)n1
214185492	ZINC000293581112	ref	2.94	-14.24	0	366.368	0.899	0	6	5	N#Cc1ccc(O[C@H]2CCN(C(=O)[C@@H]3COCCN3CC(F)F)C2)nc1
214185494	ZINC000293572957	ref	3.6	-14.76	0	363.414	0.973	1	5	6	CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC[C@H]1COC
365635130	ZINC000576594780	ref	3.76	-6.54	0	226.364	1.736	2	1	5	CC(C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1
342079086	ZINC000625299839	mid	7.25	-47.09	1	292.354	1.587	2	2	2	C[N@H+]1CCC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1
365635139	ZINC000576594780	mid	6.42	-35.56	1	226.364	1.736	2	1	5	CC(C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1
365635145	ZINC000576594780	high	3.76	-6.54	0	226.364	1.736	1	2	5	CC(C)[C@H](C)CNC(=O)CN1CC[C@@H](C)C1
398249165	ZINC000367355657	ref	-0.16	-34.62	1	244.335	-0.112	3	3	6	COC[C@H](CCO)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C
398249171	ZINC000367259969	ref	5.17	-50.87	1	242.388	1.53	2	2	5	CCSCC[NH2+][C@H]1CCC(=O)NC12CCC2
365635149	ZINC000576594714	ref	2.81	-11.34	0	238.331	1.194	2	2	6	CCCC1(CNC(=O)[C@H]2CC[C@H]2C(N)=O)CC1
178302177	ZINC000073638085	ref	1.22	-7.65	0	241.088	2.789	1	3	0	Cc1cc2nc(N)oc2c(Br)c1C
365635159	ZINC000576594715	ref	2.65	-17.19	0	242.275	-0.325	1	4	5	CCO[C@H](CC)C(=O)N[C@@H]1CC(=O)N(C)C1=O
365635167	ZINC000576595892	ref	2.96	-10.17	0	248.33	0.838	0	4	3	Cc1ccnc(CN(C)[C@H]2CCC(=O)N(C)C2)n1
365635171	ZINC000576595892	low	5.43	-44.24	1	248.33	0.838	1	3	3	Cc1ccnc(C[N@@H+](C)[C@H]2CCC(=O)N(C)C2)n1
178302182	ZINC000007777082	ref	7.9	-13.67	0	240.31	3.011	1	4	2	Cc1cc2nc(NC(C)C)c3ccccc3n2n1
365635178	ZINC000576595892	low	5.45	-44.15	1	248.33	0.838	1	3	3	Cc1ccnc(C[N@H+](C)[C@H]2CCC(=O)N(C)C2)n1
365635186	ZINC000576594776	ref	3.76	-6.55	0	226.364	1.736	2	1	5	CC(C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1
365635195	ZINC000576594776	mid	6.42	-35.53	1	226.364	1.736	2	1	5	CC(C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1
398249178	ZINC000367094110	ref	3.32	-38.84	1	227.348	1.696	2	2	5	C[C@H](O)CCC[NH2+][C@@H]1CCC12CCOCC2
343993953	ZINC000599270593	ref	1.82	-7.42	0	279.34	1.26	0	6	5	COC(=O)CC1CCN(Cc2cncc(OC)n2)CC1
398249181	ZINC000366735310	ref	1.39	-43.12	-1	229.232	-0.475	1	5	1	O=C([O-])C(=O)N[C@H]1CCO[C@]2(CCOC2)C1
178302195	ZINC000071475115	ref	1.2	-38.58	-1	207.233	1.572	0	5	1	Cc1cc2n(n1)C(=O)C(C(C)C)C([O-])=N2
398249183	ZINC000367348058	ref	1.71	-8.09	0	241.316	0.263	2	4	2	CC1(C)SC[C@@H]1NC(=O)C1=NNC(=O)CC1
398249187	ZINC000366663118	ref	7.65	-47.35	1	227.71	3.145	1	0	4	FCC[NH2+]C1CC(c2cccc(Cl)c2)C1
365635197	ZINC000576594776	high	3.76	-6.55	0	226.364	1.736	1	2	5	CC(C)[C@@H](C)CNC(=O)CN1CC[C@@H](C)C1
365635204	ZINC000576596054	ref	3.14	-17.35	0	246.27	0.949	2	4	4	C[C@@H](C#N)CNC(=O)c1cc(=O)[nH]c(C2CC2)n1
365635210	ZINC000576596054	high	1.99	-44.04	-1	246.27	0.949	1	4	4	C[C@@H](C#N)CNC(=O)c1cc(=O)[n-]c(C2CC2)n1
365635217	ZINC000576596839	ref	1.92	-7.91	0	236.246	2.743	1	4	4	COc1cc(F)ccc1NCc1coc(C)n1
365635152	ZINC000274359562	ref	5.48	-8.58	0	288.351	1.946	2	4	2	O=C(Nc1cncnc1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2
365635157	ZINC000274357649	ref	4.75	-12.68	0	294.355	1.439	2	6	11	COCCOCCOCCCNc1ncnc2[nH]ccc12
343993954	ZINC000079917697	high	8.06	-29.21	1	288.439	2.008	3	1	7	CCCNC(=[NH2+])NC[C@@H]1CCCN1CCc1ccccc1
365635162	ZINC000274357649	mid	5.14	-35.44	1	294.355	1.439	2	5	11	COCCOCCOCCCNc1[nH+]cnc2[nH]ccc12
365635168	ZINC000274360528	ref	1.96	-7.41	0	256.3	1.42	0	4	4	C[C@H](c1cnccn1)N1CCN(CC(F)F)CC1
365635176	ZINC000274360528	low	4.26	-33.99	1	256.3	1.42	1	3	4	C[C@H](c1cnccn1)[NH+]1CCN(CC(F)F)CC1
365635180	ZINC000274357684	ref	4.22	-10.3	0	277.364	1.536	1	3	4	Cc1ccccc1CC(=O)N1CCOC[C@H]1C[C@@H](C)O
365635185	ZINC000274359044	ref	4.57	-18.81	0	266.37	1.239	2	4	4	C[C@@H]1C[C@H]1NC(=O)NCCc1cn2c(n1)SCC2
342079087	ZINC000625299839	high	4.37	-8.41	0	292.354	1.587	1	3	2	CN1CCC[C@H](NC(=O)[C@@H]2COc3cc(F)ccc3C2)C1
365635193	ZINC000274359254	ref	2.14	-13.02	0	280.328	1.184	2	5	7	O=C(NCCCOC[C@@H]1CCCO1)Nc1cncnc1
214185491	ZINC000278485738	ref	5.68	-9.91	0	301.728	2.224	0	5	6	CN(Cc1ccc(Cl)nc1)Cc1ncnn1CC(F)F
365635200	ZINC000274359050	ref	4.74	-18.63	0	266.37	1.239	2	4	4	C[C@@H]1C[C@@H]1NC(=O)NCCc1cn2c(n1)SCC2
365635208	ZINC000274357935	ref	2.51	-49.12	1	285.409	1.457	2	3	8	CC(C)[C@@H](CO)[NH2+]CCCS(=O)(=O)c1ccccc1
365635213	ZINC000274360524	ref	2.16	-8.12	0	256.3	1.42	0	4	4	C[C@@H](c1cnccn1)N1CCN(CC(F)F)CC1
365635216	ZINC000274360524	low	4.26	-35.03	1	256.3	1.42	1	3	4	C[C@@H](c1cnccn1)[NH+]1CCN(CC(F)F)CC1
365635220	ZINC000274359097	ref	3.33	-41.55	1	295.408	1.174	3	3	4	Nc1ccccc1S(=O)(=O)NC1CC[NH+](C2CC2)CC1
197593199	ZINC000290097442	ref	5.45	-18.74	0	297.359	0.802	1	6	5	CCN(CCNC(=O)c1ncn(C)n1)C(=O)OC(C)(C)C
342079088	ZINC000625300310	ref	5.88	-49.44	1	286.379	1.725	1	4	6	Cn1cc(CC[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)nn1
342079089	ZINC000625298455	ref	2.71	-16.04	0	297.384	1.282	2	5	5	Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1c[nH]cn1
342079090	ZINC000625298455	mid	2.67	-14.83	0	297.384	1.282	2	5	5	Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1cnc[nH]1
342079091	ZINC000625298455	low	3.19	-45.73	1	297.384	1.282	2	4	5	Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1c[nH+]c[nH]1
342079092	ZINC000625298455	low	3.17	-45.72	1	297.384	1.282	2	4	5	Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1c[nH]c[nH+]1
178302171	ZINC000237222037	mid	3.15	-10.79	0	358.408	1.553	2	3	7	C[NH2+]CC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
365635155	ZINC000641599573	low	3.98	-35.26	1	289.379	1.633	2	3	3	CC(=O)N1C[C@H]2[C@@H](Nc3cc(CO)cc[nH+]3)CCC[C@H]2C1
365635163	ZINC000641602964	ref	1.83	-11.26	0	291.413	1.146	1	4	6	COC1CC(CCNS(=O)(=O)[C@@H]2CCOC[C@@H]2C)C1
365635170	ZINC000641602776	ref	4.89	-7.31	0	251.33	1.817	1	5	8	COCC[C@H](COC)Nc1cc(C2CC2)ncn1
365635174	ZINC000641602734	ref	6.15	-7.73	0	269.348	1.785	2	4	5	Cc1cncnc1NC[C@]1(CO)C[C@H]1c1ccccc1
365635181	ZINC000641599764	ref	2.21	-8.43	0	260.219	1.328	2	4	3	NC(=O)c1cc(NC2CC(C(F)(F)F)C2)ncn1
365635187	ZINC000641599771	ref	1.04	-12.26	0	289.401	1.783	1	4	7	CCN(CC)S(=O)(=O)NCc1oc(C(C)C)nc1C
365635191	ZINC000641599696	ref	-0.31	-10.2	0	259.309	1.157	3	5	6	OCc1ccnc(NC[C@@H](CO)c2cccnc2)c1
365635199	ZINC000641599696	low	0.16	-36.71	1	259.309	1.157	3	4	6	OCc1cc[nH+]c(NC[C@@H](CO)c2cccnc2)c1
178302174	ZINC000237222037	high	3.15	-10.79	0	358.408	1.553	2	4	7	CNCC(=O)NCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1
365635205	ZINC000641599776	ref	1.96	-8.89	0	252.343	1.131	2	5	4	NC(=O)c1nccnc1NC[C@H]1CCCSC1
365635212	ZINC000641602570	ref	6.23	-18.68	0	254.293	1.427	0	5	1	O=C1CCc2ccc(N3CCn4cncc4C3)nc21
178302178	ZINC000237208453	ref	9.35	-56.46	1	369.44	1.657	2	2	6	C[NH2+]CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1
365635219	ZINC000641602570	low	6.76	-43.72	1	254.293	1.427	0	4	1	O=C1CCc2ccc(N3CCn4c[nH+]cc4C3)nc21
282122548	ZINC000533470141	ref	4.08	-8.07	0	254.374	1.835	2	2	3	C[C@H](O)[C@H]1CCCN(C(=O)NC[C@H]2CC2(C)C)C1
178302181	ZINC000237208453	high	7.92	-14.61	0	369.44	1.657	2	3	6	CNCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCc1ccc(F)cc1
282122549	ZINC000533469827	ref	3.78	-8.5	0	296.411	1.89	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CCOC3(CCC3)C2)C1
365635226	ZINC000641602777	ref	4.88	-7.35	0	251.33	1.817	1	5	8	COCC[C@@H](COC)Nc1cc(C2CC2)ncn1
282122550	ZINC000533471319	ref	1.81	-17.96	0	299.415	1.094	3	3	4	C[C@@H](O)[C@@H]1CCCN(C(=O)NCCC(=O)NC(C)(C)C)C1
282122555	ZINC000533471466	ref	4.78	-22.72	0	281.381	1.668	2	4	7	CC[C@@H](SC)C(=O)NCCC(=O)Nc1ccccn1
365635236	ZINC000641599526	ref	6.12	-15.9	0	299.378	1.563	2	4	3	Cc1nc(NC[C@@H]2CCCN(C(N)=O)C2)nc2ccccc12
365639447	ZINC000354713245	mid	4.32	-39.97	1	274.43	1.484	2	3	6	CC(C)(C)OCCCC[N@@H+]1CCSC[C@@H]1C(N)=O
361823495	ZINC000612425019	ref	6.55	-41.09	1	318.461	2.389	3	2	8	CC[C@H](C)[C@@H](O)CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1
306234666	ZINC000557918982	mid	5.39	-11.1	0	335.423	1.888	1	3	6	CC[C@H]1CN(C)CCN1C(=O)CCCNC(=O)c1ccc(F)cc1
307041734	ZINC000364133673	ref	1.84	-12.93	0	311.363	1.713	0	6	3	Cc1noc(C2(C)CCN(S(=O)(=O)c3ccco3)CC2)n1
295666841	ZINC000095966619	ref	6.49	-8.83	0	306.431	2.183	2	3	3	O=C(NC[C@@H]1CCCS1)N1CCc2ccccc2[C@H]1CO
342079093	ZINC000625299635	ref	2.9	-10.53	0	270.764	1.288	2	3	3	CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)C1
342079094	ZINC000625299635	mid	5.12	-41.29	1	270.764	1.288	2	3	3	CC[N@H+]1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)C1
342079095	ZINC000625299635	mid	2.9	-10.53	0	270.764	1.288	1	4	3	CCN1CCC[C@@H](NC(=O)c2nn(C)cc2Cl)C1
342079096	ZINC000625299657	ref	3.9	-44.79	1	283.328	1.644	2	3	4	Cc1cc(S(=O)(=O)NCc2c[nH]cn2)cc(C)c1F
342079097	ZINC000625299657	mid	3.88	-44.8	1	283.328	1.644	2	3	4	Cc1cc(S(=O)(=O)NCc2cnc[nH]2)cc(C)c1F
342079098	ZINC000625299657	low	3.9	-44.79	1	283.328	1.644	2	2	4	Cc1cc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc(C)c1F
342079099	ZINC000625299657	low	3.88	-44.8	1	283.328	1.644	2	2	4	Cc1cc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc(C)c1F
342079100	ZINC000625299841	ref	4.37	-8.44	0	292.354	1.587	2	2	2	C[N@@H+]1CCC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1
342079101	ZINC000625299841	mid	7.25	-46.83	1	292.354	1.587	2	2	2	C[N@H+]1CCC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1
214185495	ZINC000278485734	ref	4.88	-10.72	0	309.416	2.894	1	6	5	COc1cc(C)cc(NC(=O)CSc2nncs2)c1C
214185497	ZINC000278485129	ref	3.24	-11.61	0	314.361	3.41	0	6	4	CCc1csc([C@H]2CCCN(c3nnc(C(F)F)o3)C2)n1
214185499	ZINC000278484855	ref	8.74	-32.69	1	303.45	2.697	1	2	7	CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc2c(n1)CCCC2
214185500	ZINC000278484855	high	7.71	-8.96	0	303.45	2.697	1	3	7	CCN(CC)C(=O)C[C@@H](C)NCc1ccc2c(n1)CCCC2
214185502	ZINC000278485981	ref	5.73	-42.05	-1	321.427	3.247	0	5	4	Cc1cc(S(=O)(=O)[N-]c2ncc(C(C)C)s2)ccc1C#N
214185504	ZINC000278485981	low	6.04	-10.31	0	321.427	3.247	1	5	4	Cc1cc(S(=O)(=O)Nc2ncc(C(C)C)s2)ccc1C#N
214185506	ZINC000278486720	ref	6.26	-15.26	0	310.419	2.09	0	3	6	CN(C(=O)CCC1CC1)c1ccc(S(=O)(=O)N(C)C)cc1
214185509	ZINC000278485816	ref	8.21	-11.51	0	322.372	1.73	1	6	4	O=C(NCc1ncnn1-c1ccccc1)c1cnn2c1CCCC2
214185496	ZINC000293576561	ref	4.61	-18.21	0	362.365	0.878	1	7	4	COc1ccc(NC(=O)C(=O)N2CCC[C@H]2CF)cc1-n1nnnc1C
214185498	ZINC000293582131	ref	1.45	-17.96	0	357.432	0.639	3	5	6	COC(=O)c1ccc(C(=O)NC[C@H]2CCCC[C@@H]2NS(C)(=O)=O)[nH]1
214185501	ZINC000293579130	ref	2.38	-18.31	0	366.849	0.327	1	5	6	O=C(Cc1cnccc1Cl)N[C@@H]1CC(=O)N(CCN2CCOCC2)C1
214185503	ZINC000293579130	low	4.82	-52.73	1	366.849	0.327	2	4	6	O=C(Cc1cnccc1Cl)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1
214185507	ZINC000293583710	ref	3.4	-12.11	0	350.415	0.986	2	5	8	CCN(CCOCCO)C(=O)C(=O)Nc1ccc([C@@H]2CCOC2)cc1
214185511	ZINC000293575980	ref	3.14	-14.27	0	358.391	0.82	1	5	4	CC[C@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C
214185515	ZINC000293582970	ref	3.03	-16.08	0	370.475	0.57	1	6	6	Cc1cc(N2CCC[C@H](NS(=O)(=O)CC[C@H]3CCOC3)C2=O)n(C)n1
214185517	ZINC000293582970	high	2.72	-52.32	-1	370.475	0.57	0	6	6	Cc1cc(N2CCC[C@H]([N-]S(=O)(=O)CC[C@H]3CCOC3)C2=O)n(C)n1
214185519	ZINC000293582943	ref	8.17	-56.11	1	365.43	0.817	2	6	7	COC(=O)c1ccc(C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)n1C
178302175	ZINC000082799066	ref	5.34	-44.08	1	260.432	2.083	1	5	6	C[NH2+][C@@H](C)C[C@@H](C)Sc1nnc(N(C)C)s1
342079102	ZINC000625299841	high	4.37	-8.44	0	292.354	1.587	1	3	2	CN1CCC[C@H](NC(=O)[C@H]2COc3cc(F)ccc3C2)C1
214185522	ZINC000293582943	high	5.79	-13.45	0	365.43	0.817	1	7	7	COC(=O)c1ccc(C(=O)NCCCN2CCC(C(=O)OC)CC2)n1C
342079103	ZINC000625300346	ref	8.58	-37.62	1	286.379	1.857	2	3	3	CC[N@@H+]1CCC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1
342079104	ZINC000625300346	mid	9.1	-36.86	1	286.379	1.857	2	3	3	CC[N@H+]1CCC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1
214185531	ZINC000293580982	ref	3.53	-11.61	0	363.414	0.973	1	5	6	CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C(=O)N1CC(OCC)C1
214185535	ZINC000293583015	ref	5.77	-47.19	1	353.423	0.712	2	6	7	Cc1nn(CCC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c(C)c1[N+](=O)[O-]
214185538	ZINC000293583015	mid	6.01	-46.65	1	353.423	0.712	2	6	7	Cc1nn(CCC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c(C)c1[N+](=O)[O-]
214185541	ZINC000293583015	high	4.49	-12.65	0	353.423	0.712	1	7	7	Cc1nn(CCC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c(C)c1[N+](=O)[O-]
342079105	ZINC000625300346	high	6.21	-10.96	0	286.379	1.857	1	4	3	CCN1CCC[C@H](NC(=O)c2cc(C)cn3ccnc23)C1
342079106	ZINC000625300343	ref	9.1	-36.86	1	286.379	1.857	2	3	3	CC[N@@H+]1CCC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1
342079107	ZINC000625300343	mid	8.58	-37.6	1	286.379	1.857	2	3	3	CC[N@H+]1CCC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1
361823733	ZINC000629302419	ref	5.0	-41.18	-1	294.298	1.161	1	4	5	C[C@H]1CN(C(=O)NC[C@H](CC(=O)[O-])C(F)F)C[C@@H](C)O1
342079108	ZINC000625300343	high	6.36	-10.89	0	286.379	1.857	1	4	3	CCN1CCC[C@@H](NC(=O)c2cc(C)cn3ccnc23)C1
342079109	ZINC000625297929	ref	4.8	-12.96	0	283.375	1.988	2	2	3	C[N@@H+]1CCC[C@@H](NC(=O)Cc2cccc3cnccc23)C1
259308312	ZINC000322980084	ref	-0.46	-11.43	0	201.266	0.298	2	3	4	CC[C@H](C)CC(=O)N[C@@H]1COC[C@H]1O
361823738	ZINC000439684379	ref	7.03	-41.15	1	258.431	1.976	2	2	6	CSCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C
361823743	ZINC000439684379	mid	5.13	-7.28	0	258.431	1.976	2	2	6	CSCC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C
361823747	ZINC000439684379	high	5.13	-7.28	0	258.431	1.976	1	3	6	CSCC(=O)NC[C@@H]1CCCCN1CC(C)C
361823750	ZINC000640340915	ref	1.17	-51.4	-1	263.322	1.365	3	3	2	O=C(N=c1[nH]sc2ccccc12)NC1(CO)CC1
361823754	ZINC000640340915	mid	1.17	-51.4	-1	263.322	1.365	2	3	2	O=C(N=c1[n-]sc2ccccc12)NC1(CO)CC1
361823758	ZINC000629302585	ref	3.97	-48.16	-1	263.359	1.204	1	4	6	CC(C)C1(S(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-])CC1
361823764	ZINC000629301004	ref	2.64	-10.0	0	298.393	1.646	0	6	4	CSc1cc(C)ccc1[N-]S(=O)(=O)c1cnnn1C
361823766	ZINC000629301004	low	2.64	-10.0	0	298.393	1.646	1	6	4	CSc1cc(C)ccc1NS(=O)(=O)c1cnnn1C
361823770	ZINC000629302666	ref	4.87	-41.48	-1	295.401	1.174	0	5	9	CCC(C)(C)CS(=O)(=O)N(CCOC)[C@H](C)C(=O)[O-]
361823775	ZINC000629302206	ref	5.96	-65.88	-1	270.329	1.153	0	4	1	C[C@H]1CN(C(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])C[C@@H](C)O1
361823778	ZINC000640340911	ref	2.4	-49.93	-1	295.364	1.501	2	4	5	COC[C@@H](CNC(=O)N=c1[nH]sc2ccccc12)OC
361823780	ZINC000640340911	mid	2.4	-49.93	-1	295.364	1.501	1	4	5	COC[C@@H](CNC(=O)N=c1[n-]sc2ccccc12)OC
361823784	ZINC000640340881	ref	2.65	-14.98	0	279.365	1.953	2	3	2	CN(CC(C)(C)O)C(=O)N=c1[nH]sc2ccccc12
361823785	ZINC000640340881	mid	3.8	-51.73	-1	279.365	1.953	1	3	2	CN(CC(C)(C)O)C(=O)N=c1[n-]sc2ccccc12
361823789	ZINC000156626659	ref	6.05	-55.73	1	257.399	1.689	1	2	6	CC#CCC[N@@H+](CCCC)[C@H]1CCS(=O)(=O)C1
361823795	ZINC000156626659	mid	3.93	-11.61	0	257.399	1.689	1	2	6	CC#CCC[N@H+](CCCC)[C@H]1CCS(=O)(=O)C1
361823798	ZINC000156626659	mid	3.93	-11.61	0	257.399	1.689	0	3	6	CC#CCCN(CCCC)[C@H]1CCS(=O)(=O)C1
361823802	ZINC000629302639	ref	4.98	-43.26	-1	291.413	1.984	1	4	7	CC(C)C1(S(=O)(=O)NC(C)(C)C[C@@H](C)C(=O)[O-])CC1
365635156	ZINC000623067043	high	-1.01	-8.3	0	304.177	1.839	4	3	4	O=C(Nc1ccc(Cl)cc1Cl)NC1(CCO)CNC1
136229233	ZINC000184905351	ref	8.87	-8.64	0	243.35	3.003	0	1	4	C#CCC(C)(C)C(=O)N(C)Cc1ccc(C)cc1
136229234	ZINC000232473105	ref	6.62	-35.04	1	230.355	2.479	2	1	5	c1ccc([C@@H](NC[C@@H]2CCC[NH2+]2)C2CC2)cc1
136229235	ZINC000232473105	low	7.63	-122.92	2	230.355	2.479	2	0	5	c1ccc([C@@H]([NH2+]C[C@@H]2CCC[NH2+]2)C2CC2)cc1
136229236	ZINC000292811699	ref	-0.31	-10.85	0	222.244	0.412	3	3	5	C=C[C@@H](CO)NC(=O)c1cc(C=O)[nH]c1C
178302183	ZINC000237204448	ref	6.34	-95.55	2	356.474	1.544	3	4	6	Cc1ccc([C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)[NH+](C)C)cc1
365635160	ZINC000623066656	ref	5.54	-44.28	1	307.785	1.473	2	4	5	C[NH2+][C@H](C)CNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
282952180	ZINC000127633477	ref	6.61	-11.69	0	323.396	2.556	2	3	4	Cc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)c(C)n1
178302185	ZINC000237204448	high	4.1	-52.92	1	356.474	1.544	2	5	6	Cc1ccc([C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)N(C)C)cc1
136229237	ZINC000232473514	ref	5.58	-34.15	1	216.328	2.016	2	1	3	c1ccc2c(c1)CC[C@@H]2NC[C@@H]1CCC[NH2+]1
178302188	ZINC000237205060	ref	8.52	-84.42	2	353.466	1.958	3	2	7	C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1
178302192	ZINC000237205060	mid	7.13	-42.65	1	353.466	1.958	3	3	7	C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1
178302194	ZINC000237205060	high	4.67	-9.3	0	353.466	1.958	2	4	7	CN(C)CCOc1ccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1
178302197	ZINC000237217761	ref	6.15	-60.54	-1	357.204	1.502	1	4	7	CN(CCC(=O)[O-])C(=O)CCNC(=O)c1ccc(Br)cc1
178305313	ZINC000000545761	ref	10.61	-17.81	0	223.239	1.839	0	5	0	Cc1cc2ncn3c4ccccc4nc3n2n1
214185505	ZINC000337627727	ref	3.57	-10.25	0	270.279	2.114	2	2	3	C[C@@H](NC(=O)N[C@H]1CCOC1)c1c(F)cccc1F
214185508	ZINC000337627872	ref	4.7	-10.75	0	283.331	2.013	2	3	5	CCc1ccc(C(=O)NCC(=O)Nc2cccnc2)cc1
214185512	ZINC000337626283	ref	5.64	-24.21	0	290.323	0.348	1	6	7	CN(CCOCCO)C(=O)c1cccc(-n2cncn2)c1
136229238	ZINC000232473514	low	6.62	-121.27	2	216.328	2.016	2	0	3	c1ccc2c(c1)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]1
214185520	ZINC000337625848	ref	7.09	-7.41	0	273.38	2.244	2	3	7	CCC[C@@H]1C[C@@H]1NC(=O)c1ccc(NCC2CC2)nc1
214185524	ZINC000337627644	ref	1.11	-14.32	0	275.255	2.265	2	4	4	Cc1cnc(NC(=O)N[C@H]2CCC[C@@H]2OC(F)F)o1
342595882	ZINC000616973460	ref	4.02	-17.88	0	260.337	1.357	2	2	4	CC(C)c1cccc(CC(=O)N[C@H]2CCNC2=O)c1
342595883	ZINC000616973635	ref	3.61	-20.45	0	289.257	1.881	3	3	3	CNC(=O)NC(=O)CNc1cc(C)cc(C(F)(F)F)c1
185088872	ZINC000096073979	ref	6.59	-21.73	0	299.374	1.722	0	3	3	C=CCN1CC[C@@]2(CCCN(C(=O)c3cccnc3)C2)C1=O
178302187	ZINC000082799049	ref	4.35	-45.87	1	267.46	1.931	1	3	9	CCC[NH2+][C@H](C)C[C@H](C)SCCS(C)(=O)=O
365635161	ZINC000354705712	mid	5.57	-46.12	1	299.484	1.272	2	3	5	CC1CCN(CC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1
365635165	ZINC000354705712	high	3.67	-6.96	0	299.484	1.272	1	4	5	CC1CCN(CC(=O)NC[C@]2(N(C)C)CCSC2)CC1
365635172	ZINC000354706243	ref	5.4	-44.85	1	288.342	1.447	2	3	7	CC[N@H+](C)CCNC(=O)c1c(C)nn(CC(F)F)c1C
365635179	ZINC000354706243	mid	5.4	-44.82	1	288.342	1.447	2	3	7	CC[N@@H+](C)CCNC(=O)c1c(C)nn(CC(F)F)c1C
365635183	ZINC000354706243	high	3.1	-12.51	0	288.342	1.447	1	4	7	CCN(C)CCNC(=O)c1c(C)nn(CC(F)F)c1C
365635189	ZINC000354705769	ref	3.42	-14.15	0	272.345	1.196	2	4	6	COC(=O)CCCCNC(=O)N[C@@H]1CCO[C@H](C)C1
365635192	ZINC000354706821	ref	1.93	-13.06	0	292.379	1.226	2	4	6	Cc1ncccc1CC(=O)N[C@H](CCO)C1CCOCC1
365635201	ZINC000354706379	ref	6.2	-12.72	0	288.351	1.706	2	4	6	COC[C@H](C)NC(=O)NCc1ccccc1-n1ccnc1
365635206	ZINC000354706379	low	7.01	-34.47	1	288.351	1.706	2	3	6	COC[C@H](C)NC(=O)NCc1ccccc1-n1cc[nH+]c1
365635215	ZINC000354706956	ref	1.55	-9.1	0	296.371	1.61	2	5	4	COc1nn(C)cc1NC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C
365635222	ZINC000354706231	ref	4.48	-10.59	0	261.387	1.475	0	3	7	CCN(CCC1CC1)S(=O)(=O)C[C@H]1CCOC1
365635229	ZINC000354706953	ref	1.16	-10.27	0	296.371	1.61	2	5	4	COc1nn(C)cc1NC(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C
365635234	ZINC000354707128	ref	5.88	-15.64	0	295.335	1.412	0	5	5	COC[C@@H]1CCN(C(=O)c2c(C)coc2CC(=O)OC)C1
365635240	ZINC000354706517	ref	-0.69	-8.72	0	284.36	1.321	3	5	7	Cc1noc(C(C)(C)NC(=O)NCCC[C@H](C)CO)n1
365635252	ZINC000354707371	ref	3.85	-12.53	0	276.38	1.802	2	2	7	C[C@H](CC[N@H+](C)[C@H]1CCNC1=O)OCc1ccccc1
365635257	ZINC000354707371	mid	6.38	-39.24	1	276.38	1.802	2	2	7	C[C@H](CC[N@@H+](C)[C@H]1CCNC1=O)OCc1ccccc1
342595884	ZINC000616974170	ref	6.04	-13.05	0	279.388	1.048	0	5	4	CC[C@@H](C)N(CC)C(=O)[C@H]1Cn2c(C)nnc2CN1C
365635261	ZINC000354707371	high	3.85	-12.53	0	276.38	1.802	1	3	7	C[C@H](CCN(C)[C@H]1CCNC1=O)OCc1ccccc1
365635263	ZINC000354706380	ref	0.35	-9.8	0	256.346	1.041	3	3	7	C[C@@H](CO)CCCNC(=O)NCC1=CCCOC1
214185521	ZINC000278486404	ref	5.43	-10.25	0	316.17	2.743	1	2	2	C[C@@H]1COCC[C@H]1NC(=O)c1ccc(Br)cc1F
365635164	ZINC000565311246	ref	5.61	-59.73	1	273.336	1.194	2	3	5	C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[NH2+]1
349534821	ZINC000594969274	ref	6.0	-56.45	1	297.468	2.552	1	3	5	Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1
306234667	ZINC000557909178	ref	3.68	-49.82	1	334.46	1.782	4	3	7	CC[C@@](C)(CO)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1
307041752	ZINC000364134926	ref	2.48	-9.6	0	312.332	1.514	1	4	7	CCOC(CN1C[C@@H](C(N)=O)CC[C@H]1C(F)(F)F)OCC
342595885	ZINC000616976534	ref	3.53	-16.11	0	252.314	1.568	1	3	6	CC[C@H](C)N(CC)C(=O)c1ccoc1CC(N)=O
214185523	ZINC000278485014	ref	1.53	-29.99	0	324.331	2.493	1	4	6	FC(F)c1nnc([N-][C@H](C[NH+]2CCOCC2)c2ccccc2)o1
214185525	ZINC000278485014	mid	0.78	-9.47	0	324.331	2.493	1	6	6	FC(F)c1nnc(N[C@H](CN2CCOCC2)c2ccccc2)o1
214185527	ZINC000278485014	high	-0.93	-38.01	-1	324.331	2.493	0	5	6	FC(F)c1nnc([N-][C@H](CN2CCOCC2)c2ccccc2)o1
214185530	ZINC000278485177	ref	7.16	-25.02	0	316.405	1.964	1	5	3	Cn1ncc2c(=O)ccn(CC(=O)NC3CCCCCCC3)c21
185088873	ZINC000096074591	ref	4.14	-10.98	0	278.356	0.357	0	5	1	CN1CCOCC12CCN(C(=O)c1cn(C)cn1)CC2
185088874	ZINC000096074591	mid	6.51	-42.58	1	278.356	0.357	1	4	1	Cn1cnc(C(=O)N2CCC3(CC2)COCC[N@@H+]3C)c1
214185532	ZINC000278486463	ref	5.28	-14.71	0	315.391	1.41	0	5	8	COc1ccccc1CN(C)S(=O)(=O)CCCOC(C)=O
214185540	ZINC000278486046	ref	8.28	-42.84	1	318.442	2.546	1	3	5	CS[C@H]1CCC[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1
214185542	ZINC000278486075	ref	3.75	-47.68	1	323.433	2.505	2	4	10	CCCCOc1cc(C[NH2+][C@@]2(CCO)CCOC2)ccc1OC
214185544	ZINC000278486075	high	2.96	-8.09	0	323.433	2.505	2	5	10	CCCCOc1cc(CN[C@@]2(CCO)CCOC2)ccc1OC
214185547	ZINC000278486204	ref	2.25	-10.89	0	312.28	1.132	0	8	4	COc1ccnc(N2CCN(c3nnc(C(F)F)o3)CC2)n1
214185549	ZINC000278485886	ref	8.52	-16.74	0	316.426	3.393	0	3	5	CCN(Cc1cccs1)C(=O)c1ccc(N(C)C(C)=O)cc1
214185552	ZINC000278485857	ref	3.94	-13.08	0	320.368	1.613	1	5	7	CNC(=O)[C@@H](C)CN(C)Cc1nc(Cc2cccc(F)c2)no1
214185555	ZINC000278485857	mid	5.39	-48.42	1	320.368	1.613	2	4	7	CNC(=O)[C@@H](C)C[N@H+](C)Cc1nc(Cc2cccc(F)c2)no1
214185557	ZINC000278485857	mid	5.64	-48.59	1	320.368	1.613	2	4	7	CNC(=O)[C@@H](C)C[N@@H+](C)Cc1nc(Cc2cccc(F)c2)no1
365635166	ZINC000623067280	ref	2.69	-42.2	1	304.213	1.776	2	3	2	C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ncc(Br)s1
365635169	ZINC000623067195	ref	9.02	-19.29	0	300.362	1.693	0	5	4	COc1cccc(C2CCN(C(=O)Cn3cncn3)CC2)c1
342595886	ZINC000616974502	ref	2.57	-24.39	0	287.294	1.301	2	3	2	Cc1nc2c(F)cccc2cc1C(=O)N[C@H]1CCNC1=O
342595887	ZINC000616973447	ref	2.17	-17.34	0	261.325	1.132	2	3	3	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c(C(C)C)n1
365635173	ZINC000623067801	ref	3.72	-53.14	1	312.373	1.041	3	3	2	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2c(=O)[nH]1
365635177	ZINC000623067801	mid	2.66	-80.56	0	312.373	1.041	2	3	2	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2c(=O)[n-]1
365635182	ZINC000623067388	ref	2.54	-53.45	1	307.398	1.121	2	4	4	COCCn1cc(NC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cn1
365635184	ZINC000623067389	ref	2.4	-53.42	1	307.398	1.121	2	4	4	COCCn1cc(NC(=O)N2C[C@H]3[C@@H]([NH3+])CCC[C@H]3C2)cn1
342595888	ZINC000616974456	ref	3.99	-18.38	0	292.766	1.766	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccccc2Cl)CCC1
342595889	ZINC000616976548	ref	2.46	-8.33	0	264.391	1.091	1	3	7	CCC[C@@H](C(=O)N(CC)[C@H](C)CC)S(N)(=O)=O
342595890	ZINC000616974733	ref	3.73	-19.5	0	282.29	1.292	2	2	5	O=C(CCCc1c(F)cccc1F)N[C@@H]1CCNC1=O
342595891	ZINC000616973998	ref	3.3	-16.17	0	250.342	1.352	2	2	2	O=C(N[C@H]1CCNC1=O)C1CC2(CCCCC2)C1
342595892	ZINC000616974501	ref	2.57	-23.92	0	287.294	1.301	2	3	2	Cc1nc2c(F)cccc2cc1C(=O)N[C@@H]1CCNC1=O
365635190	ZINC000623067052	ref	3.09	-47.87	1	313.199	1.582	2	3	4	C[C@H](NC(=O)c1nc(C2CC2)ncc1Br)[C@@H](C)[NH3+]
365635196	ZINC000623067887	ref	2.45	-60.44	1	309.366	1.666	2	4	4	COc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@@H]2C)cc(OC)c1OC
365635198	ZINC000623066643	ref	8.02	-42.12	1	311.389	1.391	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCc2ccccc2[C@@H]1C[NH3+]
365635203	ZINC000623066643	high	7.38	-6.89	0	311.389	1.391	1	5	3	Cn1nc(C2CC2)nc1C(=O)N1CCc2ccccc2[C@@H]1CN
365635207	ZINC000623067363	ref	3.16	-66.8	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC
178302190	ZINC000082800549	ref	1.42	-54.65	1	289.177	1.06	2	3	5	C[NH2+][C@](C)(C[C@H](C)n1cc(Br)cn1)C(N)=O
342595893	ZINC000616973497	ref	3.87	-18.41	0	258.321	1.102	2	2	2	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c2c1CCC2
342595894	ZINC000616973438	ref	3.88	-16.34	0	298.795	1.827	2	3	5	O=C(CCSc1ccc(Cl)cc1)N[C@H]1CCNC1=O
365635175	ZINC000172894685	ref	1.3	-21.73	0	285.365	1.118	2	4	5	Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)[C@H](C)CO
365635188	ZINC000172900094	ref	4.16	-11.74	0	260.337	1.72	1	3	4	Cc1ccc2c(c1)OCCN2CC(=O)NCC1CC1
365635194	ZINC000172894430	ref	1.51	-7.09	0	287.306	1.345	1	4	5	COC[C@H]1CN(C[C@H](O)c2cc(F)ccc2F)CCO1
365635202	ZINC000172902854	ref	9.65	-19.41	0	275.341	1.162	0	8	3	Cc1cc(C)n2c(SCc3ncnn3C)nnc2n1
365635211	ZINC000172894933	ref	3.46	-14.23	0	297.305	1.861	3	3	6	CC(=O)Nc1cc(F)c(F)cc1NCC(=O)NCC1CC1
178302193	ZINC000082802914	ref	7.98	-52.74	1	278.355	2.463	1	1	1	O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc21
365635221	ZINC000172894621	ref	-0.48	-19.44	0	299.323	1.776	1	5	5	C[C@@H](CO)S(=O)(=O)Cc1ncc(-c2ccccc2F)o1
178302196	ZINC000082802914	high	6.98	-11.81	0	278.355	2.463	1	2	1	O=C([C@H]1CNCc2ccccc21)N1CCc2ccccc21
365635230	ZINC000172900018	ref	5.69	-9.17	0	250.327	1.789	0	6	5	COC[C@@H](C)Sc1nnnn1-c1ccccc1
365635238	ZINC000172894740	ref	2.43	-5.58	0	265.353	1.241	1	4	5	COC[C@@H]1CN(C[C@@](C)(O)c2ccccc2)CCO1
365635242	ZINC000172894740	mid	4.48	-41.07	1	265.353	1.241	2	3	5	COC[C@@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCO1
342079110	ZINC000625297929	mid	7.16	-47.67	1	283.375	1.988	2	2	3	C[N@H+]1CCC[C@@H](NC(=O)Cc2cccc3cnccc23)C1
365635248	ZINC000172894740	mid	4.43	-40.77	1	265.353	1.241	2	3	5	COC[C@@H]1C[N@@H+](C[C@@](C)(O)c2ccccc2)CCO1
365635254	ZINC000172903557	ref	3.05	-12.34	0	293.348	1.776	1	4	3	CC[C@H]1CN(S(=O)(=O)c2cn[nH]c2)c2ccccc2O1
365635266	ZINC000172900013	ref	5.67	-9.15	0	250.327	1.789	0	6	5	COC[C@H](C)Sc1nnnn1-c1ccccc1
365635275	ZINC000172904080	ref	3.87	-10.14	0	288.417	1.908	1	4	7	CCCCN(C)S(=O)(=O)Nc1c(C)nn(CC)c1C
365635284	ZINC000172904080	high	4.08	-44.75	-1	288.417	1.908	0	4	7	CCCCN(C)S(=O)(=O)[N-]c1c(C)nn(CC)c1C
365635291	ZINC000172894761	ref	0.34	-16.42	0	262.302	1.13	1	4	5	COc1ccc(CS(=O)(=O)[C@@H](C)CO)cc1F
365635300	ZINC000172901668	ref	9.4	-10.42	0	298.346	1.351	0	6	2	Cc1cccc([C@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1
342079111	ZINC000625297929	high	4.8	-12.96	0	283.375	1.988	1	3	3	CN1CCC[C@@H](NC(=O)Cc2cccc3cnccc23)C1
342079112	ZINC000623714641	ref	4.01	-20.02	0	299.334	1.12	2	5	4	C[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCC(=O)N1
342079113	ZINC000625299321	ref	2.94	-50.46	-1	262.353	1.915	3	2	3	CC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2O)C1
282122551	ZINC000449153440	ref	4.84	-39.04	1	284.444	2.031	1	3	5	COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1
219047891	ZINC000097681612	ref	5.85	-11.57	0	328.334	3.102	1	3	4	CC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1
342079114	ZINC000625299321	mid	4.38	-40.01	1	262.353	1.915	3	2	3	CC[N@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2O)C1
342079115	ZINC000625299321	high	2.94	-50.46	-1	262.353	1.915	1	3	3	CCN1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1
342079116	ZINC000625299046	ref	1.91	-41.44	1	257.374	1.057	3	3	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCOCC1
214185533	ZINC000337624530	ref	1.24	-14.42	0	297.236	2.131	2	4	3	O=C(NCc1ncccc1O)c1ccncc1C(F)(F)F
214185537	ZINC000337624530	high	2.01	-44.27	-1	297.236	2.131	1	4	3	O=C(NCc1ncccc1[O-])c1ccncc1C(F)(F)F
214185539	ZINC000337627202	ref	3.08	-8.34	0	299.321	2.466	2	3	6	CC(C)Oc1ccc(CNC(=O)NC2(C(F)F)CC2)cn1
190493708	ZINC000269436616	ref	6.23	-65.17	1	290.26	2.165	1	1	3	CN1C[C@H]([NH2+]Cc2cc(F)cc(C(F)(F)F)c2)CC1=O
214185545	ZINC000337626360	ref	5.41	-23.84	0	288.355	0.929	2	4	3	CN(C(=O)CN=c1ncnc2[nH][nH]cc1-2)C1CCCCC1
214185548	ZINC000337626360	high	5.25	-40.59	-1	288.355	0.929	1	4	3	CN(C(=O)CN=c1ncnc2[nH][n-]cc1-2)C1CCCCC1
214185550	ZINC000337624717	ref	7.63	-7.19	0	277.29	3.439	2	2	5	CCC(CC)[C@@H](C)C(=O)Nc1nc(C(F)(F)F)c[nH]1
214185554	ZINC000337624717	mid	7.55	-6.14	0	277.29	3.439	2	2	5	CCC(CC)[C@@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1
214185556	ZINC000337624981	ref	6.2	-41.27	1	261.369	2.061	3	1	5	Cc1ccccc1[C@H](C)NC(=O)NCC[NH+]1CCC1
214185560	ZINC000337624981	mid	3.02	-9.24	0	261.369	2.061	2	2	5	Cc1ccccc1[C@H](C)NC(=O)NCCN1CCC1
214185563	ZINC000337625098	ref	7.78	-18.5	0	288.391	2.263	2	2	6	CCNC(=O)CC(=O)N[C@@]1(c2cccc(C)c2)C[C@H]1CC
214185567	ZINC000337627562	ref	6.11	-9.12	0	295.333	2.1	2	3	7	O=C(NCC1(C(F)F)CC1)c1ccc(NCC2CC2)nc1
214185572	ZINC000337625301	ref	0.39	-41.44	1	259.35	-0.223	4	3	5	C[NH+](C)C[C@](C)(O)CNC(=O)NC1CCOCC1
214185575	ZINC000337625301	high	-1.54	-7.9	0	259.35	-0.223	3	4	5	CN(C)C[C@](C)(O)CNC(=O)NC1CCOCC1
214185578	ZINC000337625326	ref	6.21	-14.24	0	276.365	2.349	1	5	6	CSCCCC(=O)Nc1cnccc1-n1cccn1
214185583	ZINC000337625326	mid	6.66	-38.31	1	276.365	2.349	1	4	6	CSCCCC(=O)Nc1c[nH+]ccc1-n1cccn1
214185595	ZINC000337624970	ref	2.28	-21.44	0	254.311	0.701	1	5	6	CN(CCOCCO)C(=O)c1sccc1C#N
282122552	ZINC000248976870	ref	6.2	-8.77	0	312.479	1.984	1	3	2	C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCS1
178302202	ZINC000237220334	ref	6.27	-46.89	1	373.501	1.984	1	5	6	C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(c(OC)nn3C)c2C)C1
282122556	ZINC000248976870	mid	8.25	-42.27	1	312.479	1.984	1	3	2	C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCS1
282122558	ZINC000248976870	mid	6.2	-8.77	0	312.479	1.984	0	4	2	C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)CCS1
190493709	ZINC000269436616	mid	5.03	-10.07	0	290.26	2.165	1	2	3	CN1C[C@H](NCc2cc(F)cc(C(F)(F)F)c2)CC1=O
282122562	ZINC000248976861	ref	5.67	-19.11	0	322.792	1.94	2	3	5	NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)O1
178302206	ZINC000237213963	ref	5.63	-46.74	1	373.247	1.406	2	4	9	COCC[NH2+]CC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1
282122565	ZINC000248972073	ref	2.79	-9.75	0	319.467	1.924	1	4	4	C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C
282122571	ZINC000248972829	ref	2.84	-14.24	0	313.419	1.762	1	4	5	C[C@@H]1OCC[C@@H]1S(=O)(=O)N(C)[C@H](C)Cc1ccc(O)cc1
282122579	ZINC000248976182	ref	1.77	-11.11	0	304.456	1.348	2	3	6	CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)[C@@H]1CCO[C@H]1C
178302211	ZINC000237213963	high	4.37	-14.84	0	373.247	1.406	2	5	9	COCCNCC(=O)N[C@@H](CC(=O)OC)c1cccc(Br)c1
282122586	ZINC000248976182	mid	3.31	-49.27	1	304.456	1.348	2	3	6	CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)[C@@H]1CCO[C@H]1C
282122590	ZINC000248976182	high	1.77	-11.11	0	304.456	1.348	1	4	6	CC[C@@H]1CCCCN1CCNS(=O)(=O)[C@@H]1CCO[C@H]1C
178302214	ZINC000237223177	ref	8.87	-51.28	-1	354.406	1.961	1	4	8	CN(CCC(=O)[O-])C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1
282122595	ZINC000248975372	ref	0.67	-9.28	0	312.435	1.14	2	3	5	C[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CO
342079117	ZINC000625299261	ref	3.11	-45.4	1	293.348	1.212	2	4	4	C[C@H]1Cc2cc(S(=O)(=O)NCc3c[nH]cn3)ccc2O1
365635209	ZINC000623067890	ref	2.71	-60.18	1	309.366	1.666	2	4	4	COc1cc(NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc(OC)c1OC
178302220	ZINC000237201295	ref	6.39	-52.59	1	359.47	1.942	1	3	4	COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1=O
197593214	ZINC000162803713	ref	8.64	-33.5	0	307.35	1.699	1	5	5	CC1CCC(CNC(=O)Cn2ccc(=O)c([N+](=O)[O-])c2)CC1
365635214	ZINC000623067051	ref	2.89	-47.57	1	313.199	1.582	2	3	4	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1nc(C2CC2)ncc1Br
282122602	ZINC000248975372	mid	3.49	-41.78	1	312.435	1.14	2	3	5	C[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CO
219047894	ZINC000097681789	ref	8.93	-17.42	0	326.425	3.032	0	5	4	CSc1cccc(CN(C)C(=O)c2cnn3cc(C)cnc23)c1
214185543	ZINC000293576200	ref	4.78	-19.03	0	359.386	0.247	1	7	4	COC(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)n1C
214185546	ZINC000293574509	ref	7.28	-19.8	0	366.765	0.983	2	7	5	Cc1nc(NC(=O)C(=O)NCCc2ccc(Cl)cc2[N+](=O)[O-])nn1C
342595895	ZINC000616974538	ref	2.66	-20.49	0	294.738	1.306	2	3	3	O=C(C[C@H]1OCc2cc(Cl)ccc21)N[C@H]1CCNC1=O
214185551	ZINC000293577144	ref	0.24	-20.07	0	350.415	0.583	4	5	7	COc1ccc(C[C@H](CO)CNC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc1O
197593218	ZINC000162809532	ref	5.81	-39.09	1	301.427	2.092	1	4	6	CC[NH2+][C@@H]1CCC2(C[C@@H]1OCCOC(C)(C)C)OCCO2
214185553	ZINC000293576128	ref	4.49	-16.37	0	351.403	0.859	0	7	4	COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2cc(OC)n(C)n2)CC1
214185558	ZINC000293577355	ref	2.06	-12.19	0	365.449	0.206	1	5	6	O=C(CN1CCN(C[C@H](O)Cc2ccc(F)cc2)CC1)N1CCOCC1
214185561	ZINC000293577355	mid	4.35	-48.15	1	365.449	0.206	2	4	6	O=C(CN1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1)N1CCOCC1
214185564	ZINC000293581470	ref	4.23	-17.56	0	361.373	0.791	2	4	4	O=C1C[C@H](Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CF)cc2)C(=O)N1
214185568	ZINC000293575970	ref	3.08	-16.53	0	358.391	0.82	1	5	4	CC[C@@H]1C(=O)NCCN1S(=O)(=O)c1cc(C(=O)OC)c(F)cc1C
214185570	ZINC000293582978	ref	3.69	-26.99	0	370.475	0.57	1	6	6	Cc1cc(N2CCC[C@@H](NS(=O)(=O)CC[C@@H]3CCOC3)C2=O)n(C)n1
214185573	ZINC000293582978	high	3.79	-55.34	-1	370.475	0.57	0	6	6	Cc1cc(N2CCC[C@@H]([N-]S(=O)(=O)CC[C@@H]3CCOC3)C2=O)n(C)n1
342595896	ZINC000616974446	ref	3.55	-23.97	0	274.32	1.018	2	3	2	CC1(C)Cc2cccc(C(=O)N[C@H]3CCNC3=O)c2O1
214185577	ZINC000293581532	ref	2.19	-9.46	0	352.391	0.203	3	7	5	CCOC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@]1(O)CCC[C@@H]1C
214185581	ZINC000293577998	ref	2.05	-18.54	0	373.457	0.775	3	5	9	CCC[C@H](C)C(=O)NCCNC(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1
185088875	ZINC000096074591	mid	6.57	-43.22	1	278.356	0.357	1	4	1	Cn1cnc(C(=O)N2CCC3(CC2)COCC[N@H+]3C)c1
214185585	ZINC000293577079	ref	3.04	-15.45	0	361.398	0.345	1	5	4	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)cc1
342595897	ZINC000616974489	ref	3.51	-15.35	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1CCCC[C@H]1C1CC1
342595898	ZINC000616974731	ref	3.17	-17.22	0	266.728	1.448	2	2	3	C[C@H](C(=O)N[C@H]1CCNC1=O)c1ccc(Cl)cc1
342595899	ZINC000616973929	ref	2.41	-15.24	0	250.273	1.061	2	2	2	Cc1cc(F)cc(C)c1C(=O)N[C@H]1CCNC1=O
197593224	ZINC000162801994	ref	6.52	-12.54	0	300.402	2.797	2	2	6	C=CC(=O)NCc1ccc(C(=O)N[C@@H]2CCC[C@H]2CC)cc1
342595900	ZINC000616973492	ref	3.6	-17.51	0	290.363	1.269	2	3	6	CCOc1ccc(C[C@H](C)C(=O)N[C@H]2CCNC2=O)cc1
365635218	ZINC000623067710	ref	3.91	-8.41	0	301.35	1.429	2	6	2	Cn1ncnc1C(=O)N[C@@H]1CC(C)(C)Oc2ccc(N)cc21
365635224	ZINC000623067811	ref	2.5	-66.67	1	301.35	1.938	2	4	3	C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ncon2)cc1
342595901	ZINC000616973822	ref	3.2	-17.32	0	288.347	1.12	2	3	3	COc1ccc2c(c1)[C@@H](C(=O)N[C@@H]1CCNC1=O)CCC2
342595902	ZINC000616974166	ref	5.9	-13.15	0	279.388	1.048	0	5	4	CC[C@H](C)N(CC)C(=O)[C@H]1Cn2c(C)nnc2CN1C
365635228	ZINC000623067377	ref	4.52	-58.16	1	324.182	1.053	1	4	1	C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1nc2ccc(Br)cn2n1
365635232	ZINC000623067809	ref	2.66	-67.91	1	301.35	1.938	2	4	3	C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ncon2)cc1
342595903	ZINC000616973536	ref	5.91	-18.54	0	288.391	1.966	2	2	7	CCCc1ccc(CCCC(=O)N[C@@H]2CCNC2=O)cc1
342595904	ZINC000616976533	ref	3.33	-16.24	0	252.314	1.568	1	3	6	CC[C@@H](C)N(CC)C(=O)c1ccoc1CC(N)=O
365635235	ZINC000623067796	ref	2.62	-58.25	1	311.407	1.291	2	3	5	CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@@H](C[NH3+])C1CC1
342595905	ZINC000616974445	ref	3.55	-24.1	0	274.32	1.018	2	3	2	CC1(C)Cc2cccc(C(=O)N[C@@H]3CCNC3=O)c2O1
365635241	ZINC000623067362	ref	3.17	-66.4	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc(OC)c1OC
342595906	ZINC000616974539	ref	2.67	-18.34	0	294.738	1.306	2	3	3	O=C(C[C@@H]1OCc2cc(Cl)ccc21)N[C@H]1CCNC1=O
342595907	ZINC000616976546	ref	2.33	-8.49	0	264.391	1.091	1	3	7	CCC[C@@H](C(=O)N(CC)[C@@H](C)CC)S(N)(=O)=O
365635247	ZINC000623067281	ref	3.22	-42.45	1	304.213	1.776	2	3	2	C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ncc(Br)s1
365635251	ZINC000623067396	ref	4.32	-43.25	1	304.213	1.715	1	3	4	CN(C(=O)c1ncc(Br)s1)[C@H](C[NH3+])C1CC1
323004545	ZINC000150983705	ref	8.22	-14.84	0	222.292	1.58	1	4	2	C[C@@H]1CCC[C@@H](C(=O)Nc2ncnn2C)C1
342595908	ZINC000616973683	ref	2.87	-13.93	0	272.295	1.207	2	2	3	O=C(C[C@]12CCCC[C@H]1C2(F)F)N[C@H]1CCNC1=O
365635256	ZINC000623066828	ref	2.68	-42.55	1	324.837	1.665	1	4	2	CN1CCN(C(=O)c2nc3cc(Cl)ccc3s2)[C@@H](C[NH3+])C1
342595909	ZINC000616973493	ref	3.6	-17.21	0	290.363	1.269	2	3	6	CCOc1ccc(C[C@@H](C)C(=O)N[C@H]2CCNC2=O)cc1
365635223	ZINC000274359097	mid	1.37	-8.95	0	295.408	1.174	2	4	4	Nc1ccccc1S(=O)(=O)NC1CCN(C2CC2)CC1
365635227	ZINC000274359338	ref	9.0	-50.83	1	275.331	1.724	1	4	4	Fc1cncc(C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)c1
365635233	ZINC000274359338	mid	9.67	-53.97	1	275.331	1.724	1	4	4	Fc1cncc(C[N@H+]2CCC[C@@H](Cn3cncn3)C2)c1
365635239	ZINC000274359338	mid	7.43	-11.18	0	275.331	1.724	0	5	4	Fc1cncc(CN2CCC[C@@H](Cn3cncn3)C2)c1
365635244	ZINC000274358472	ref	4.86	-18.47	0	280.397	1.773	2	4	4	CC1(NC(=O)NCCc2cn3c(n2)SCC3)CCC1
365635250	ZINC000274360200	ref	3.26	-9.6	0	264.329	1.658	2	4	3	CO[C@@H]1[C@@H](C)[C@H](NC(=O)Nc2cncnc2)C1(C)C
365635258	ZINC000274358387	ref	1.46	-21.17	0	270.358	1.145	2	4	4	CC(C)(C)[S@](=O)CCNC(=O)Nc1cncnc1
365635264	ZINC000274360089	ref	8.45	-17.1	0	294.42	1.983	0	4	4	CCC1(CC)CN(C(=O)Cn2ccccc2=O)CCS1
199273040	ZINC000294964764	ref	4.46	-54.83	1	295.386	2.433	3	2	4	[NH3+]Cc1ccc(C(=O)NCc2cccc3c2CCCN3)cc1
365635274	ZINC000274358459	ref	5.87	-19.85	0	266.37	1.335	1	4	4	CN(C(=O)NCCc1cn2c(n1)SCC2)C1CC1
365635283	ZINC000637720025	ref	7.65	-11.4	0	291.395	1.934	0	4	5	CCCCN(C(=O)[C@@H]1CN(C)C[C@H](C)O1)c1ccccn1
365635289	ZINC000637720025	mid	10.19	-42.23	1	291.395	1.934	1	3	5	CCCCN(C(=O)[C@@H]1C[N@H+](C)C[C@H](C)O1)c1ccccn1
365635295	ZINC000637720025	mid	9.52	-42.96	1	291.395	1.934	1	3	5	CCCCN(C(=O)[C@@H]1C[N@@H+](C)C[C@H](C)O1)c1ccccn1
365635302	ZINC000274359512	ref	6.14	-51.01	1	252.293	1.388	2	2	2	C[NH+](C)[C@H]1CCN(C(=O)Nc2cccc(F)n2)C1
365635308	ZINC000274359512	high	3.71	-17.84	0	252.293	1.388	1	3	2	CN(C)[C@H]1CCN(C(=O)Nc2cccc(F)n2)C1
365635313	ZINC000274358625	ref	3.28	-12.17	0	288.307	1.463	2	5	5	CC(C)[C@H](NC(=O)c1ccco1)C(=O)Nc1cncnc1
398249169	ZINC000649443074	ref	3.5	-53.23	1	212.256	1.401	1	3	1	C1=C(c2cnc3nccnc3c2)CC[NH2+]C1
214185562	ZINC000278484781	ref	7.79	-15.45	0	308.338	1.96	1	6	9	COCCCOCCN(C)c1nc2cc([N+](=O)[O-])ccc2[nH]1
365635319	ZINC000274359040	ref	2.16	-14.58	0	276.344	1.32	3	4	4	Cc1n[nH]cc1CNC(=O)N[C@@H](C)c1cn(C)nc1C
365635325	ZINC000274359040	mid	2.18	-14.18	0	276.344	1.32	3	4	4	Cc1nn(C)cc1[C@H](C)NC(=O)NCc1cn[nH]c1C
365635332	ZINC000274357700	ref	4.58	-44.0	1	273.398	1.907	1	4	12	COCCOCCOCCC[NH2+]Cc1ccsc1
365635335	ZINC000274358370	ref	3.79	-12.88	0	287.323	1.419	1	5	3	O=C(Nc1cncnc1)N1CCN(Cc2ccco2)CC1
199273042	ZINC000181261442	ref	4.73	-13.19	0	301.35	1.483	2	5	2	Cc1nc(C)n(-c2ccccc2NC(=O)N2CC[C@H](O)C2)n1
349534822	ZINC000093281070	ref	3.11	-39.38	1	285.384	0.906	2	4	5	COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC2(CO)COC2)C1
214185565	ZINC000053515525	ref	6.45	-18.3	0	339.457	2.506	0	4	5	C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(S(C)(=O)=O)cc1
214185574	ZINC000053494623	ref	9.59	-56.59	1	338.411	2.569	2	3	4	N#Cc1ccc(C[N@H+]2CCCN(C(=O)NCc3ccco3)CC2)cc1
398249173	ZINC000649443041	ref	6.51	-42.33	1	217.312	2.252	1	1	4	COCCc1ccc(C2=CC[NH2+]CC2)cc1
398249176	ZINC000649443123	ref	6.72	-48.99	1	240.31	2.157	2	2	2	Cc1nc(-c2ccc(C3=CC[NH2+]CC3)cc2)n[nH]1
398249180	ZINC000649443037	ref	4.75	-48.85	1	202.257	1.661	1	2	2	CC(=O)c1ccc(C2=CC[NH2+]CC2)nc1
199273045	ZINC000181261239	ref	8.89	-38.52	1	320.481	3.011	2	3	6	CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C
199273047	ZINC000181261239	mid	8.93	-39.42	1	320.481	3.011	2	3	6	CCC(CC)n1nc(C)cc1C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C
214185579	ZINC000053494623	mid	9.62	-56.95	1	338.411	2.569	2	3	4	N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NCc3ccco3)CC2)cc1
214185582	ZINC000053494623	mid	7.47	-13.35	0	338.411	2.569	1	4	4	N#Cc1ccc(CN2CCCN(C(=O)NCc3ccco3)CC2)cc1
214185590	ZINC000053517535	ref	7.35	-17.44	0	328.416	2.619	2	3	2	O=C(NC1CCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
214185598	ZINC000053512375	ref	7.98	-17.34	0	330.428	1.905	1	3	5	O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@@H]1CCCO1
214185604	ZINC000053512739	ref	9.95	-13.06	0	342.483	3.307	1	2	5	O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)C1CCCCC1
214185610	ZINC000053508094	ref	1.32	-18.13	0	330.381	1.382	2	4	4	COc1ccc([C@@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F
214185623	ZINC000053497385	ref	5.39	-40.68	1	335.311	2.957	1	3	9	COCCC[NH2+]C[C@H](C)N(C)Cc1csc(Br)c1
214185629	ZINC000053496084	ref	6.22	-35.14	1	347.322	3.1	1	3	7	C[C@H](C[NH2+]C[C@@H]1CCCO1)N(C)Cc1cc(Br)cs1
214185633	ZINC000053513519	ref	3.34	-28.43	0	326.418	1.963	2	4	6	CCS(=O)(=O)CC(=O)Nc1cc(NC(=O)C(C)C)ccc1C
214185639	ZINC000053496963	ref	7.69	-31.89	1	327.31	4.048	1	1	7	CCC(C)(C)[NH2+]C[C@@H](C)N(C)Cc1ccccc1Br
214185645	ZINC000053516534	ref	8.6	-16.58	0	331.395	2.518	0	5	5	CN(CC1CCCCC1)C(=O)Cn1nnc(-c2cccc(F)c2)n1
214185653	ZINC000053503178	ref	5.53	-16.8	0	335.379	1.293	1	3	7	CCCCN(CC(N)=O)C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O
365635225	ZINC000576594992	ref	4.16	-8.55	0	247.338	1.679	2	2	3	CC(C)(CO)C(=O)N[C@@H]1CCc2ccccc2C1
282122553	ZINC000151670263	ref	11.07	-12.78	0	322.368	2.194	0	5	3	C[C@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc2nncn2c1
342079118	ZINC000625299261	mid	3.1	-45.4	1	293.348	1.212	2	4	4	C[C@H]1Cc2cc(S(=O)(=O)NCc3cnc[nH]3)ccc2O1
349534823	ZINC000618813736	ref	6.8	-29.14	0	272.308	1.29	0	5	4	CC(=O)c1ccccc1C(=O)N(C)Cc1cn(C)nn1
365635231	ZINC000576596018	ref	6.02	-12.6	0	233.315	2.008	0	3	2	Cc1nn(C(C)C)cc1C(=O)N1CC2(CC2)C1
365635237	ZINC000576594151	ref	4.21	-7.77	0	245.326	1.953	1	3	3	CO[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@H](C)C1
365635243	ZINC000576594151	mid	6.31	-43.88	1	245.326	1.953	1	3	3	CO[C@@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@H](C)C1
178302208	ZINC000082800535	ref	3.94	-47.33	1	290.161	1.487	1	4	4	COC(=O)[C@@](C)([NH3+])C[C@H](C)n1cc(Br)cn1
365635246	ZINC000576594151	mid	4.21	-7.77	0	245.326	1.953	0	4	3	CO[C@@H]1CCN(Cc2ccc(C#N)cn2)[C@H](C)C1
365635253	ZINC000576594384	ref	5.49	-34.65	1	222.332	1.389	2	1	3	O=C1NCC[C@H]1CC[N@@H+]1CCC2(CCC2)C1
365635260	ZINC000576594384	mid	5.5	-34.86	1	222.332	1.389	2	1	3	O=C1NCC[C@H]1CC[N@H+]1CCC2(CCC2)C1
365635265	ZINC000576596030	ref	5.71	-16.1	0	234.303	1.397	2	3	6	CC[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]cn1
214185566	ZINC000278486704	ref	1.57	-17.86	0	317.769	1.23	2	5	9	COC[C@@H](C)OC[C@H](O)COc1ccc(Cl)cc1C(N)=O
214185569	ZINC000278485709	ref	7.1	-21.79	0	316.401	2.819	1	3	3	CC1(C)CC[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)O1
365635271	ZINC000576596030	mid	5.0	-15.96	0	234.303	1.397	2	3	6	CC[C@H](CC#N)NC(=O)[C@H](C)Cc1cnc[nH]1
365635276	ZINC000576596030	low	5.51	-43.61	1	234.303	1.397	2	2	6	CC[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1
365635281	ZINC000576596030	low	5.5	-43.38	1	234.303	1.397	2	2	6	CC[C@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1
365635287	ZINC000576596032	ref	5.16	-17.56	0	234.303	1.397	2	3	6	CC[C@@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH]cn1
178302209	ZINC000082800535	mid	4.39	-5.24	0	290.161	1.487	1	5	4	COC(=O)[C@@](C)(N)C[C@H](C)n1cc(Br)cn1
365635293	ZINC000576596032	mid	5.2	-16.95	0	234.303	1.397	2	3	6	CC[C@@H](CC#N)NC(=O)[C@@H](C)Cc1cnc[nH]1
342079119	ZINC000625299261	low	3.11	-45.4	1	293.348	1.212	2	3	4	C[C@H]1Cc2cc(S(=O)(=O)NCc3c[nH+]c[nH]3)ccc2O1
342079120	ZINC000625299261	low	3.1	-45.4	1	293.348	1.212	2	3	4	C[C@H]1Cc2cc(S(=O)(=O)NCc3c[nH]c[nH+]3)ccc2O1
342079121	ZINC000625299135	ref	3.37	-45.94	1	295.364	1.514	2	4	5	COc1cc(C)c(S(=O)(=O)NCc2c[nH]cn2)cc1C
365635245	ZINC000641602800	ref	2.92	-12.62	0	291.347	1.309	1	4	6	COCCCOc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
398249174	ZINC000650873591	ref	4.65	-16.88	0	291.282	1.074	0	5	3	O=C(Cn1nc(-c2ccccc2)oc1=O)N1CC[C@H](F)C1
168364837	ZINC000368497122	ref	7.28	-6.84	0	338.492	3.326	1	3	7	CCOCCC1(CNC(=O)N2CCC[C@H]2[C@H]2CCCO2)CCCC1
282122554	ZINC000137659228	ref	2.34	-47.73	-1	265.313	1.483	2	5	7	CCC(CC)(CNc1ccnc(C(N)=O)c1)C(=O)[O-]
365635255	ZINC000641602624	ref	3.84	-17.17	0	289.36	1.847	1	6	5	COCc1nc(CNc2ccc3c(n2)C(=O)CC3)cs1
365635267	ZINC000641599969	ref	3.87	-11.54	0	265.332	1.963	1	3	4	CC(=O)NCC[C@H]1CCCN(c2ccncc2F)C1
282122561	ZINC000301440762	ref	5.37	-16.78	0	285.413	2.109	1	5	6	CCC(CC)(CNc1nc(C)cc(C)n1)S(C)(=O)=O
365635273	ZINC000641599969	low	4.34	-45.81	1	265.332	1.963	1	2	4	CC(=O)NCC[C@H]1CCCN(c2cc[nH+]cc2F)C1
282122572	ZINC000164622712	ref	6.23	-48.16	-1	291.273	2.798	1	5	6	CCC(CC)(CNc1ccc(C(F)(F)F)nn1)C(=O)[O-]
282122588	ZINC000361329313	ref	10.03	-37.96	1	275.392	3.112	1	2	7	CCC(CC)(C[NH2+][C@H]1C[C@H]1c1ccccc1)C(=O)OC
365635277	ZINC000641601990	ref	6.57	-48.62	1	289.383	1.685	3	4	7	CCCC[N@H+](C)C[C@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365635282	ZINC000641601990	mid	6.54	-48.59	1	289.383	1.685	3	4	7	CCCC[N@@H+](C)C[C@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365635286	ZINC000641602921	ref	2.24	-11.06	0	283.34	1.519	1	3	4	CC1(C)C[C@@H](NS(=O)(=O)C[C@]2(C)CC2(F)F)CO1
365635294	ZINC000641602552	ref	6.2	-12.81	0	297.424	1.937	1	4	7	C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CCn1ccnc1
365635301	ZINC000641602552	low	6.71	-43.08	1	297.424	1.937	1	3	7	C=CC[C@@H]1CCCC[C@H]1NS(=O)(=O)CCn1cc[nH+]c1
365635307	ZINC000641602940	ref	2.26	-17.48	0	296.392	1.424	1	4	5	C[C@H](CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)c1ccccn1
365635315	ZINC000641602941	ref	2.1	-13.02	0	296.392	1.424	1	4	5	C[C@H](CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccn1
282122598	ZINC000158481419	ref	8.14	-53.09	-1	266.297	2.898	1	5	7	CCC(CC)(CNc1ccccc1[N+](=O)[O-])C(=O)[O-]
282122617	ZINC000424379963	ref	6.03	-45.67	-1	291.326	3.072	1	5	6	CCC(CC)(CNc1ccnc2cc(F)cnc12)C(=O)[O-]
259308315	ZINC000089163483	ref	6.1	-44.0	1	245.366	2.295	2	1	3	O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2ccccc2C1
349534824	ZINC000621490753	ref	7.43	-9.51	0	272.339	3.006	1	1	3	O=C(NC1CCC(F)(F)CC1)N1CC(CC2CC2)C1
365635323	ZINC000641600033	ref	3.44	-8.78	0	250.298	1.179	1	4	1	CC(C)(C)c1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)no1
214185571	ZINC000278485647	ref	6.84	-13.52	0	318.417	2.728	1	4	3	Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CCC(C)(C)O1
299072216	ZINC000459275243	ref	3.48	-13.86	0	303.362	2.574	3	3	3	CC(C)[C@@]1(C)C[C@@H]1NC(=O)Nc1ccc2c(c1)OCC(=O)N2
214185580	ZINC000278485961	ref	5.21	-42.59	1	304.39	1.669	2	3	8	CCC(CC)[C@@H](O)C[NH2+]CCN1C(=O)c2ccccc2C1=O
214185584	ZINC000278486020	ref	2.01	-47.77	1	313.781	1.742	2	4	5	OCC[C@]1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCOC1
214185586	ZINC000278486020	high	1.0	-7.85	0	313.781	1.742	2	5	5	OCC[C@]1(NCc2cc(Cl)c3c(c2)OCCO3)CCOC1
342079122	ZINC000625299135	mid	3.36	-46.05	1	295.364	1.514	2	4	5	COc1cc(C)c(S(=O)(=O)NCc2cnc[nH]2)cc1C
342079123	ZINC000625299135	low	3.37	-45.94	1	295.364	1.514	2	3	5	COc1cc(C)c(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1C
214185587	ZINC000278486030	ref	5.42	-41.41	1	311.788	2.468	2	3	7	Cn1cc([C@H](CO)[NH2+]CCCc2c(F)cccc2Cl)cn1
214185589	ZINC000278486030	high	4.13	-9.28	0	311.788	2.468	2	4	7	Cn1cc([C@H](CO)NCCCc2c(F)cccc2Cl)cn1
214185592	ZINC000278486539	ref	6.93	-10.68	0	303.406	2.433	1	2	3	CC(C)[C@@H]1CN(C(=O)N[C@@H](C)C(=O)N(C)C)c2ccccc21
365635249	ZINC000123264753	ref	7.69	-48.22	1	293.411	2.021	3	2	3	O=C(C[N@@H+]1CCC2(CCC2)C1)NC(=O)NC1CCCCC1
342079124	ZINC000625299135	low	3.36	-46.05	1	295.364	1.514	2	3	5	COc1cc(C)c(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1C
178302216	ZINC000082802941	ref	8.17	-47.72	1	292.382	2.679	2	1	3	O=C(NC1(c2ccccc2)CC1)[C@@H]1C[NH2+]Cc2ccccc21
178302218	ZINC000082802941	high	6.75	-9.63	0	292.382	2.679	2	2	3	O=C(NC1(c2ccccc2)CC1)[C@@H]1CNCc2ccccc21
342079125	ZINC000625300471	ref	2.64	-16.19	0	279.312	1.265	2	3	5	O=S(=O)(C[C@H]1CCCC1(F)F)NCc1c[nH]cn1
214185594	ZINC000278485210	ref	8.11	-20.74	0	320.433	3.289	1	3	8	CCN(CC)C(=O)CCCC(=O)Nc1cc(C)c(OC)cc1C
214185597	ZINC000278486447	ref	6.66	-10.62	0	305.765	2.333	1	4	3	Cn1cncc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1
185088879	ZINC000096072727	ref	7.13	-12.04	0	298.35	1.116	1	7	3	c1cnc(N[C@@H]2CO[C@]3(CCN(c4ccncn4)C3)C2)nc1
214185600	ZINC000278486722	ref	4.43	-17.9	0	313.386	1.88	1	6	3	O=C(NC[C@@H]1CCc2nccn2C1)c1nc2cccnc2s1
214185602	ZINC000278486722	mid	4.9	-41.47	1	313.386	1.88	1	5	3	O=C(NC[C@@H]1CCc2[nH+]ccn2C1)c1nc2cccnc2s1
323004546	ZINC000150983486	ref	7.92	-6.97	0	211.349	3.215	0	1	2	CC(C)(C)CCC(=O)N1CCCCCC1
136229239	ZINC000184909820	ref	8.69	-10.71	0	243.35	3.366	1	1	5	CC#CCCCC(=O)N[C@@H](C)c1ccccc1C
214185588	ZINC000293572810	ref	7.52	-43.67	1	365.434	0.48	2	6	7	CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C
197593230	ZINC000290095892	ref	3.56	-9.66	0	279.34	1.703	1	5	2	Cn1cc2c(n1)CCC[C@@H]2NC(=O)OC1CCOCC1
185088880	ZINC000096073078	ref	3.46	-9.77	0	291.351	1.195	0	5	2	CO[C@@H]1COC2(CCN(C(=O)c3cnc(C)cn3)CC2)C1
342595910	ZINC000616974280	ref	4.71	-11.18	0	263.341	1.75	1	3	5	CC[C@@H](C)N(CC)C(=O)c1cc(C)c(C(N)=O)cn1
185088881	ZINC000096073929	ref	7.92	-44.85	1	273.38	1.916	1	2	3	CCN1CC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)C1=O
185088882	ZINC000096073929	mid	7.84	-49.08	1	273.38	1.916	1	2	3	CCN1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)C1=O
295666844	ZINC000457632055	ref	5.78	-9.97	0	253.367	1.613	1	3	3	O=C1C[C@H]2C[C@@H]1[C@H](C(=O)NC[C@@H]1CCCS1)C2
214185591	ZINC000293572810	high	5.08	-9.72	0	365.434	0.48	1	7	7	CCCN(CCN1CCCC1)C(=O)C(=O)Nc1c(C(=O)OC)cnn1C
342595911	ZINC000616974631	ref	3.58	-16.19	0	266.385	1.844	2	2	2	CC1(C)CC(C(=O)N[C@@H]2CCNC2=O)CC(C)(C)C1
342595912	ZINC000354471523	ref	5.7	-39.32	1	251.374	1.879	3	1	4	C=C(C)CNC(=O)NC1CC([NH+]2CCCCC2)C1
185088883	ZINC000096073929	high	5.35	-9.77	0	273.38	1.916	0	3	3	CCN1CC[C@@]2(CCCN(Cc3ccncc3)C2)C1=O
214185593	ZINC000293581807	ref	5.74	-17.14	0	350.448	0.681	0	7	3	CC[C@@H]1CN(C(=O)c2nnn(-c3ccn(C)n3)c2C)C[C@@H](C)[S@@]1=O
214185596	ZINC000293581909	ref	1.78	-20.05	0	357.388	0.297	1	7	7	COC(=O)c1cc(S(=O)(=O)NCCCN2CCOC2=O)cnc1C
185088885	ZINC000096073344	ref	7.02	-10.49	0	292.379	2.713	0	4	2	CC[C@H]1CO[C@@]2(CCCN(C(=O)c3c(C)noc3C)C2)C1
214185601	ZINC000293581817	ref	6.02	-20.45	0	350.448	0.681	0	7	3	CC[C@@H]1CN(C(=O)c2nnn(-c3ccn(C)n3)c2C)C[C@@H](C)[S@]1=O
136229240	ZINC000292839473	ref	4.34	-48.5	1	248.33	0.821	2	4	5	C#CCCC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1
214185605	ZINC000293574079	ref	2.98	-13.23	0	356.43	0.616	1	6	5	CCn1ncc(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1
214185609	ZINC000293574079	mid	5.34	-50.78	1	356.43	0.616	2	5	5	CCn1ncc(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1
214185612	ZINC000293584188	ref	2.95	-57.47	1	355.435	0.703	2	3	4	C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1
214190434	ZINC000278496000	ref	5.81	-42.62	1	310.825	3.072	2	2	5	C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCOC[C@@H]1C
365635259	ZINC000623066828	high	2.96	-5.18	0	324.837	1.665	1	5	2	CN1CCN(C(=O)c2nc3cc(Cl)ccc3s2)[C@@H](CN)C1
365635262	ZINC000623067422	ref	3.79	-55.26	1	301.35	1.952	2	4	3	C[NH2+]C1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1
342595913	ZINC000616973491	ref	3.59	-17.22	0	290.363	1.269	2	3	6	CCOc1ccc(C[C@@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
365635269	ZINC000623067360	ref	3.06	-65.77	1	323.393	1.913	2	4	5	COc1cc(NC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc(OC)c1OC
365635279	ZINC000623067812	ref	2.62	-67.99	1	301.35	1.938	2	4	3	C[C@H]1C[C@H](C[NH3+])CN1C(=O)Nc1ccc(-c2ncon2)cc1
365635285	ZINC000623067050	ref	3.1	-47.87	1	313.199	1.582	2	3	4	C[C@H]([NH3+])[C@@H](C)NC(=O)c1nc(C2CC2)ncc1Br
342595914	ZINC000616974611	ref	6.29	-14.39	0	267.377	1.618	0	5	5	CC[C@H](C)N(CC)C(=O)Cc1nnn(C(C)(C)C)n1
185088888	ZINC000096073422	ref	2.79	-7.34	0	279.384	1.817	1	4	5	COCC[C@H]1CO[C@]2(CCCN(Cc3cc[nH]n3)C2)C1
185088889	ZINC000096073422	mid	5.48	-34.13	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@]2(CCC[N@H+](Cc3cc[nH]n3)C2)C1
365635290	ZINC000623066647	ref	8.7	-67.92	0	319.413	1.0	1	4	4	Cc1cc(C)n2[n-]c(=NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)nc2n1
365635298	ZINC000623067889	ref	2.72	-60.08	1	309.366	1.666	2	4	4	COc1cc(NC(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc(OC)c1OC
365635304	ZINC000623067711	ref	3.91	-8.38	0	301.35	1.429	2	6	2	Cn1ncnc1C(=O)N[C@H]1CC(C)(C)Oc2ccc(N)cc21
365635309	ZINC000623067374	ref	4.29	-58.34	1	324.182	1.053	1	4	1	C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1nc2ccc(Br)cn2n1
365635314	ZINC000623066897	ref	4.83	-56.61	1	302.378	1.368	2	3	5	CC(C)[C@H]([NH3+])CCN(C)C(=O)c1nc2ccccc2c(=O)[nH]1
365635318	ZINC000623066897	mid	3.87	-78.34	0	302.378	1.368	1	3	5	CC(C)[C@H]([NH3+])CCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1
342595915	ZINC000616974369	ref	5.52	-15.37	0	270.373	1.007	1	3	5	CC[C@H](C)N(CC)C(=O)CN1CCCC[C@@H](O)C1=O
365635324	ZINC000623067003	ref	5.06	-62.64	1	314.393	1.748	3	4	4	C[C@H](NC(=O)Nc1cccc(-c2nnc3n2CCC3)c1)[C@@H](C)[NH3+]
365635328	ZINC000623066961	ref	8.27	-45.8	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1
365635334	ZINC000623067804	ref	3.9	-50.97	1	312.373	1.041	3	3	2	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2c(=O)[nH]1
365635337	ZINC000623067804	mid	2.84	-79.46	0	312.373	1.041	2	3	2	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1nc2ccccc2c(=O)[n-]1
342595916	ZINC000616973824	ref	3.18	-17.9	0	288.347	1.12	2	3	3	COc1ccc2c(c1)[C@H](C(=O)N[C@H]1CCNC1=O)CCC2
365635268	ZINC000123264753	mid	7.75	-48.79	1	293.411	2.021	3	2	3	O=C(C[N@H+]1CCC2(CCC2)C1)NC(=O)NC1CCCCC1
365635272	ZINC000123264753	mid	5.08	-16.87	0	293.411	2.021	2	3	3	O=C(CN1CCC2(CCC2)C1)NC(=O)NC1CCCCC1
365635280	ZINC000123262025	ref	6.8	-7.93	0	281.327	2.149	0	4	3	COC(=O)[C@H]1CN([C@@H](C)c2ccc(F)cc2)C[C@@H](C)O1
185088890	ZINC000096073422	mid	5.13	-35.46	1	279.384	1.817	2	3	5	COCC[C@H]1CO[C@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)C1
365635292	ZINC000123262025	low	8.74	-47.27	1	281.327	2.149	1	3	3	COC(=O)[C@H]1C[N@@H+]([C@@H](C)c2ccc(F)cc2)C[C@@H](C)O1
214185599	ZINC000337626456	ref	7.12	-6.81	0	273.38	2.34	1	3	4	C[C@H]1CCCCN1C(=O)c1ccc(NCC2CC2)nc1
282122559	ZINC000449153440	low	6.74	-117.21	2	284.444	2.031	2	2	5	COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)CC1
282122563	ZINC000449153371	ref	7.89	-37.03	1	272.392	2.317	1	1	4	C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@@](C)(c2ccccc2)C1
282122566	ZINC000449153371	high	6.76	-8.83	0	272.392	2.317	1	2	4	C[C@H](NC1CC1)C(=O)N1CC[C@@](C)(c2ccccc2)C1
398249179	ZINC000650875325	ref	4.8	-10.7	0	298.427	1.994	2	3	5	COC[C@H]1C[C@@H](O)CN1C(=O)NCC[C@H]1CCCC[C@@H]1C
398249184	ZINC000650870842	ref	1.8	-9.87	0	296.342	1.32	3	3	6	O=C(NC[C@@H]1OCCc2ccccc21)N[C@@H](CO)CCF
178302225	ZINC000034924849	ref	1.37	-50.35	1	210.664	2.291	1	2	2	Cc1cc2nc(CC[NH3+])oc2cc1Cl
365635297	ZINC000123262025	low	8.31	-46.41	1	281.327	2.149	1	3	3	COC(=O)[C@H]1C[N@H+]([C@@H](C)c2ccc(F)cc2)C[C@@H](C)O1
365635303	ZINC000123194634	ref	5.36	-7.05	0	284.4	2.156	1	3	3	COC[C@@H](C)NC(=O)N1CCOC2(CCCCCC2)C1
185088891	ZINC000096073287	ref	6.06	-9.05	0	292.379	1.825	0	4	3	CCO[C@@H]1COC2(CCN(C(=O)c3cccn3C)CC2)C1
365635322	ZINC000123171981	ref	4.33	-14.23	0	279.727	2.005	2	3	3	Cc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1Cl
365635343	ZINC000123272370	ref	6.81	-41.62	1	292.379	2.1	2	3	5	C[C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)O1
365635359	ZINC000123272370	mid	4.39	-13.12	0	292.379	2.1	1	4	5	C[C@@H]1CC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCC2)O1
365635366	ZINC000123194313	ref	3.46	-13.82	0	290.266	2.04	1	3	3	N#CC1(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1
365635375	ZINC000123274652	ref	5.82	-37.86	1	253.39	2.103	3	1	4	C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCCC1
282122569	ZINC000449154433	ref	4.3	-30.11	1	269.41	2.206	2	3	7	COc1cc(C)ccc1C[NH2+][C@@H](C)[C@H](CO)SC
365635385	ZINC000123274652	mid	5.51	-38.57	1	253.39	2.103	3	1	4	C[C@H]1CCCC[N@H+]1CCNC(=O)NC1CCCC1
365635270	ZINC000354708104	ref	3.15	-16.59	0	280.393	1.434	2	3	5	Cc1ccccc1NCCC(=O)N[C@@H]1CC[S@](=O)C1
365635278	ZINC000354705620	ref	6.19	-52.34	1	286.379	1.562	3	2	6	C[NH+](C)[C@H](CNC(=O)Cc1ccc2n[nH]cc2c1)C1CC1
365635288	ZINC000354708100	ref	4.81	-20.33	0	268.288	1.813	2	3	5	COC(=O)c1cc(C(=O)NCCC2(F)CCC2)c[nH]1
136229241	ZINC000292839473	mid	4.12	-47.25	1	248.33	0.821	2	4	5	C#CCCC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1
199273043	ZINC000294962892	ref	3.82	-39.7	1	257.403	1.848	2	4	6	C[C@H](CC(C)(C)O)[NH2+]Cc1cnc(N(C)C)s1
342595917	ZINC000616974540	ref	2.65	-18.57	0	294.738	1.306	2	3	3	O=C(C[C@H]1OCc2cc(Cl)ccc21)N[C@@H]1CCNC1=O
214185603	ZINC000337627994	ref	3.14	-42.64	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1
214185608	ZINC000337627994	mid	3.47	-42.46	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1
342595918	ZINC000616973614	ref	2.18	-17.38	0	275.23	1.621	3	3	3	Cc1cc(NCC(=O)NC(N)=O)cc(C(F)(F)F)c1
342595919	ZINC000616974041	ref	2.64	-16.96	0	274.311	1.597	2	2	3	CCC1(C(=O)N[C@@H]2CCNC2=O)CCC(F)(F)CC1
342595920	ZINC000616974537	ref	2.66	-19.52	0	294.738	1.306	2	3	3	O=C(C[C@@H]1OCc2cc(Cl)ccc21)N[C@@H]1CCNC1=O
342595921	ZINC000616973498	ref	3.87	-18.39	0	258.321	1.102	2	2	2	Cc1ccc(C(=O)N[C@H]2CCNC2=O)c2c1CCC2
199273044	ZINC000294962892	high	3.16	-5.59	0	257.403	1.848	2	5	6	C[C@H](CC(C)(C)O)NCc1cnc(N(C)C)s1
214185618	ZINC000337624638	ref	3.99	-15.07	0	269.345	0.935	1	5	8	CCN(CCOCCO)C(=O)c1ccn(C(C)C)n1
214185622	ZINC000337626155	ref	9.58	-12.05	0	288.391	3.488	1	3	7	CCO[C@H](CC(=O)Nc1ncccc1CC)C1=CCCC1
214185628	ZINC000337624934	ref	7.74	-8.46	0	287.403	3.314	1	2	4	C[C@]1(NC(=O)CC[C@@H]2CCCO2)CCCc2ccccc21
214185632	ZINC000337625854	ref	2.34	-9.67	0	263.359	0.416	2	5	6	COC(=O)[C@](C)(O)CNC(=O)C(C)(C)CSC
214185636	ZINC000337625889	ref	3.76	-13.31	0	298.387	0.564	1	3	3	CCN(CC)C(=O)N1CCN(C(=O)N[C@H]2CCOC2)CC1
214185641	ZINC000337627273	ref	4.74	-44.47	1	296.415	-0.439	1	3	4	C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1
214185646	ZINC000337627273	mid	4.82	-45.05	1	296.415	-0.439	1	3	4	C[C@@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1
214185648	ZINC000337627273	high	2.46	-15.26	0	296.415	-0.439	0	4	4	C[C@@H]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1
214185652	ZINC000337625084	ref	2.2	-10.39	0	264.306	2.418	2	5	3	COc1ccc(O)c(C(=O)Nc2cnc(C)s2)c1
214185654	ZINC000337625084	high	3.2	-49.13	-1	264.306	2.418	1	5	3	COc1ccc([O-])c(C(=O)Nc2cnc(C)s2)c1
343993955	ZINC000599270593	mid	4.18	-41.6	1	279.34	1.26	1	5	5	COC(=O)CC1CC[NH+](Cc2cncc(OC)n2)CC1
365635296	ZINC000354707384	ref	5.41	-13.27	0	293.294	1.575	1	4	3	COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@H]1COc2ccc(F)cc21
282122560	ZINC000533470517	ref	3.06	-14.85	0	294.399	1.452	3	3	4	Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H]([C@H](C)O)C2)[nH]n1
282122568	ZINC000533470517	mid	3.36	-11.54	0	294.399	1.452	3	3	4	Cc1cc(C[C@H](C)NC(=O)N2CCC[C@H]([C@H](C)O)C2)n[nH]1
282122570	ZINC000533470901	ref	1.95	-8.36	0	258.362	1.214	2	3	4	COC(C)(C)CNC(=O)N1CCC[C@@H]([C@H](C)O)C1
342079126	ZINC000625300471	mid	2.6	-15.28	0	279.312	1.265	2	3	5	O=S(=O)(C[C@H]1CCCC1(F)F)NCc1cnc[nH]1
178302224	ZINC000082802943	ref	1.71	-59.01	1	294.376	0.177	2	3	2	O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1C[NH2+]Cc2ccccc21
197593248	ZINC000162801325	ref	6.64	-15.47	0	308.212	2.217	1	5	6	COc1cc(C(=O)NOCCC(F)(F)F)ccc1[N+](=O)[O-]
343993957	ZINC000599283965	ref	5.76	-40.32	1	299.418	1.898	2	3	3	Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1C#N
343993958	ZINC000599283965	high	3.54	-7.59	0	299.418	1.898	1	4	3	Cc1ccc(CN2CCN([C@@H]3CCC[C@H]3O)CC2)cc1C#N
197593253	ZINC000162809906	ref	4.71	-8.15	0	316.467	2.043	1	3	5	CN(C1CCCCC1)S(=O)(=O)N[C@H]1CCO[C@H](C2CC2)C1
349534825	ZINC000093281070	mid	3.94	-36.8	1	285.384	0.906	2	4	5	COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC2(CO)COC2)C1
365635305	ZINC000354707345	ref	5.15	-11.63	0	281.4	1.875	2	2	6	CC[C@@H](C)CCC(=O)N1CC[C@@H](NC(=O)NC2CC2)C1
398249182	ZINC000651463776	ref	7.28	-7.28	0	254.333	3.414	1	3	4	c1ccc([C@H]2CC[C@@H](CNc3ccccn3)O2)cc1
342079127	ZINC000625300471	low	3.11	-45.62	1	279.312	1.265	2	2	5	O=S(=O)(C[C@H]1CCCC1(F)F)NCc1c[nH+]c[nH]1
365635311	ZINC000354705776	ref	3.78	-13.88	0	272.345	1.196	2	4	6	COC(=O)CCCCNC(=O)N[C@@H]1CCO[C@@H](C)C1
365635316	ZINC000354705847	ref	5.84	-39.55	1	254.374	1.283	2	2	7	C[C@H]1CC=CC[C@@H]1C(=O)NCCOCC[NH+](C)C
342079128	ZINC000625300471	low	3.1	-45.7	1	279.312	1.265	2	2	5	O=S(=O)(C[C@H]1CCCC1(F)F)NCc1c[nH]c[nH+]1
342079129	ZINC000625299845	ref	-0.63	-11.17	0	259.256	1.436	2	3	3	C[N@@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1
342079130	ZINC000625299845	mid	1.72	-46.09	1	259.256	1.436	2	3	3	C[N@H+]1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1
342079131	ZINC000625299845	mid	-0.63	-11.17	0	259.256	1.436	1	4	3	CN1CCC[C@@H](NC(=O)c2ocnc2C(F)F)C1
342079132	ZINC000625299052	ref	2.59	-15.33	0	295.364	1.077	2	4	7	COCCc1ccc(S(=O)(=O)NCc2c[nH]cn2)cc1
349534826	ZINC000594969274	high	5.18	-14.07	0	297.468	2.552	1	4	5	Cc1nn(C(C)C)cc1CN[C@@H]1CCC[C@@H]([S@@](C)=O)C1
214185606	ZINC000278486045	ref	8.49	-42.2	1	318.442	2.546	1	3	5	CS[C@@H]1CCC[C@@H]([NH2+]CCN2C(=O)c3ccccc3C2=O)C1
214185607	ZINC000278485067	ref	5.78	-14.15	0	319.879	2.778	1	3	6	C[C@H](CC[S@@](C)=O)NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1
214185613	ZINC000278484947	ref	4.94	-16.85	0	321.327	1.575	1	4	3	Cn1nccc1CC(=O)N1C[C@@H](O)C[C@H]1c1cc(F)ccc1F
214185617	ZINC000278486449	ref	7.01	-9.39	0	305.765	2.333	1	4	3	Cn1cncc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1
214185620	ZINC000278486194	ref	7.99	-11.25	0	319.449	3.377	1	3	5	Cc1cnccc1OC1CCN(C(=O)N[C@@H](C)CC(C)C)CC1
214185624	ZINC000278486194	mid	8.36	-41.34	1	319.449	3.377	1	2	5	Cc1c[nH+]ccc1OC1CCN(C(=O)N[C@@H](C)CC(C)C)CC1
178302223	ZINC000237220762	ref	7.0	-47.21	1	362.499	1.992	2	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)CCc2nc3sc(C)c(C)c3c(=O)[nH]2)C1
178302227	ZINC000237221895	ref	1.77	-47.39	1	354.35	1.927	2	4	7	C[NH2+]CCCC(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC
178302231	ZINC000237222358	ref	3.22	-59.53	1	363.393	1.619	2	6	7	COCCOc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1F
214185627	ZINC000278485094	ref	9.95	-8.41	0	318.446	3.056	1	6	6	C[C@H](CCc1ccco1)Nc1cc(N2CCSCC2)ncn1
214185630	ZINC000278485094	low	10.42	-36.05	1	318.446	3.056	1	5	6	C[C@H](CCc1ccco1)Nc1cc(N2CCSCC2)nc[nH+]1
214185634	ZINC000278485094	low	10.3	-35.56	1	318.446	3.056	1	5	6	C[C@H](CCc1ccco1)Nc1cc(N2CCSCC2)[nH+]cn1
178302238	ZINC000237210754	ref	3.5	-45.28	1	373.247	1.633	2	4	7	COCC[NH2+]CC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2
214185637	ZINC000278485485	ref	7.17	-13.14	0	301.375	3.027	0	7	4	Cc1nc([C@H](C)Sc2nnc(-c3ccccc3)n2C)no1
178302243	ZINC000237210754	high	2.16	-11.19	0	373.247	1.633	2	5	7	COCCNCC(=O)N[C@@H](C)c1cc2c(cc1Br)OCCO2
282122564	ZINC000246661710	ref	9.04	-16.83	0	322.412	1.922	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@]13CCc1ccccc13)CC2
214185643	ZINC000278486320	ref	5.35	-9.18	0	312.391	2.319	1	6	5	CCOC(=O)c1csc(NC(=O)[C@@H]2CCO[C@H]2C(C)C)n1
178302245	ZINC000237213406	ref	3.69	-14.68	0	350.806	1.878	1	6	3	COc1cc(N)c(Cl)cc1C(=O)N1CCO[C@@H](c2cnn(C)c2)C1
214185647	ZINC000278485731	ref	3.77	-11.18	0	321.255	2.059	2	4	6	COCCNC(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
365635299	ZINC000576596032	low	5.71	-43.69	1	234.303	1.397	2	2	6	CC[C@@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH+]c[nH]1
365635306	ZINC000576596032	low	5.7	-43.62	1	234.303	1.397	2	2	6	CC[C@@H](CC#N)NC(=O)[C@@H](C)Cc1c[nH]c[nH+]1
365635312	ZINC000576594712	ref	2.87	-11.12	0	238.331	1.194	2	2	6	CCCC1(CNC(=O)[C@H]2CC[C@@H]2C(N)=O)CC1
214185615	ZINC000293584188	high	2.73	-78.89	0	355.435	0.703	1	3	4	C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1
365635320	ZINC000576595894	ref	-3.58	-8.79	0	201.222	-1.504	3	4	4	COC[C@](C)(O)C(=O)NCC#CCO
365635329	ZINC000576595802	ref	3.01	-6.41	0	227.348	1.947	2	2	5	CC[C@](C)(CO)C(=O)NCC1CC(C)(C)C1
282122567	ZINC000151668875	ref	7.32	-8.94	0	302.418	2.256	0	3	5	CC1(C)C[C@@H]1C(=O)N1CCN(CCOc2ccccc2)CC1
282122575	ZINC000151668875	low	9.58	-45.19	1	302.418	2.256	1	2	5	CC1(C)C[C@@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1
342079133	ZINC000625299052	mid	2.55	-14.1	0	295.364	1.077	2	4	7	COCCc1ccc(S(=O)(=O)NCc2cnc[nH]2)cc1
282122577	ZINC000151670059	ref	10.93	-12.56	0	322.368	2.194	0	5	3	C[C@@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc2nncn2c1
282122583	ZINC000151670192	ref	5.52	-10.81	0	321.417	2.453	1	4	10	COCCOc1cc(C)ccc1CNC(=O)C1(CCOC)CC1
342079134	ZINC000625299052	low	3.07	-44.98	1	295.364	1.077	2	3	7	COCCc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)cc1
365635341	ZINC000576595927	ref	6.74	-12.8	0	248.33	1.596	1	3	6	CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH]cn1
365635348	ZINC000576595927	mid	6.83	-13.23	0	248.33	1.596	1	3	6	CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1cnc[nH]1
342079135	ZINC000625299052	low	3.05	-44.99	1	295.364	1.077	2	3	7	COCCc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)cc1
342079136	ZINC000625300583	ref	2.86	-16.71	0	255.343	1.018	2	3	4	O=S(=O)(NCc1c[nH]cn1)[C@H]1C[C@@H]2CC[C@H]1C2
197593265	ZINC000290096838	ref	10.72	-11.56	0	260.341	2.666	0	5	4	Cc1nnc(N(Cc2ccco2)C2CCCC2)n1C
342079137	ZINC000625300583	mid	2.83	-14.98	0	255.343	1.018	2	3	4	O=S(=O)(NCc1cnc[nH]1)[C@H]1C[C@@H]2CC[C@H]1C2
342079138	ZINC000625300583	low	3.34	-45.3	1	255.343	1.018	2	2	4	O=S(=O)(NCc1c[nH+]c[nH]1)[C@H]1C[C@@H]2CC[C@H]1C2
342079139	ZINC000625300583	low	3.33	-45.56	1	255.343	1.018	2	2	4	O=S(=O)(NCc1c[nH]c[nH+]1)[C@H]1C[C@@H]2CC[C@H]1C2
342079140	ZINC000625298120	ref	1.96	-37.13	1	259.39	1.137	4	3	10	CCCC[N@H+](CCCO)C[C@H](O)CC1(O)CCC1
342079141	ZINC000625298120	mid	2.34	-37.23	1	259.39	1.137	4	3	10	CCCC[N@@H+](CCCO)C[C@H](O)CC1(O)CCC1
342088363	ZINC000121460120	ref	7.24	-15.84	0	279.29	1.6	1	3	5	Cn1cncc1CCNC(=O)Cc1c(F)cccc1F
178302226	ZINC000082802943	high	0.19	-17.29	0	294.376	0.177	2	4	2	O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CNCc2ccccc21
365635310	ZINC000172901735	ref	4.82	-12.46	0	269.366	1.942	1	4	7	COc1ccccc1O[C@@H](C)CNC(=O)CSC
365635317	ZINC000172901381	ref	6.84	-8.19	0	258.347	1.124	1	7	6	CCCCOC(=O)[C@H](C)Sc1nnc(C)n1N
365635331	ZINC000172893743	ref	2.19	-11.55	0	299.396	1.352	2	3	5	Cc1ccc(NS(=O)(=O)N(C)C)cc1C(=O)NC(C)C
365635340	ZINC000172897883	ref	3.81	-10.83	0	296.342	1.789	2	4	9	COCCOc1ccc(F)cc1NCC(=O)NCC1CC1
365635352	ZINC000172901410	ref	7.24	-16.91	0	262.338	1.665	1	6	5	Cc1nnc(SCCC(=O)c2ccccc2)n1N
365635364	ZINC000172895656	ref	3.38	-7.42	0	288.344	1.833	1	3	6	CN(C)S(=O)(=O)Nc1ccc(F)cc1OCC1CC1
365635372	ZINC000172899392	ref	3.0	-12.61	0	292.339	1.52	1	7	8	COc1ccc(-c2nnn(CCCCCO)n2)cc1OC
398249185	ZINC000649443229	ref	7.65	-46.5	1	239.322	2.308	1	2	3	C1=C(c2cccc(Cn3cccn3)c2)CC[NH2+]C1
365635380	ZINC000172894093	ref	5.83	-12.23	0	281.4	1.71	0	4	7	COCCCN(C)C(=O)[C@H](C)Cc1c(C)nn(C)c1C
365635396	ZINC000172901663	ref	9.4	-10.38	0	298.346	1.351	0	6	2	Cc1cccc([C@@H](C)n2cnc3c2c(=O)n(C)c(=O)n3C)c1
365635403	ZINC000172898656	ref	4.99	-10.87	0	250.298	1.928	2	4	5	CCOC(=O)CNc1cc(C)ccc1NC(C)=O
178302228	ZINC000082802923	ref	5.87	-48.96	1	282.343	2.521	2	2	3	COc1ccccc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21
365635410	ZINC000172893708	ref	2.11	-10.93	0	299.396	1.352	2	3	5	Cc1cc(NS(=O)(=O)N(C)C)ccc1C(=O)NC(C)C
178302229	ZINC000082802923	high	4.42	-9.41	0	282.343	2.521	2	3	3	COc1ccccc1NC(=O)[C@@H]1CNCc2ccccc21
349534828	ZINC000618813758	ref	4.85	-10.85	0	266.345	1.123	0	5	5	CN(Cc1cn(C)nn1)C(=O)CC[C@H]1CCCCO1
282122573	ZINC000533470016	ref	2.25	-9.05	0	286.416	1.586	3	3	5	C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@@H]([C@H](C)O)C1
282122576	ZINC000533470427	ref	3.51	-9.27	0	281.356	1.539	2	4	4	CCc1cc(CNC(=O)N2CCC[C@@H]([C@H](C)O)C2)on1
282122581	ZINC000533470142	ref	4.08	-8.01	0	254.374	1.835	2	2	3	C[C@H](O)[C@H]1CCCN(C(=O)NC[C@@H]2CC2(C)C)C1
282122584	ZINC000533470077	ref	4.19	-41.42	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1
349534832	ZINC000618813285	ref	4.7	-23.69	0	294.742	1.749	0	5	4	COc1ccc(C(=O)N(C)Cc2cn(C)nn2)c(Cl)c1
365635421	ZINC000172894817	ref	-0.41	-18.88	0	282.321	1.032	1	6	5	C[C@H](CO)S(=O)(=O)Cc1nc(-c2ccccc2)no1
365635321	ZINC000354705847	high	3.39	-7.82	0	254.374	1.283	1	3	7	C[C@H]1CC=CC[C@@H]1C(=O)NCCOCCN(C)C
365635326	ZINC000354706230	ref	4.49	-10.04	0	261.387	1.475	0	3	7	CCN(CCC1CC1)S(=O)(=O)C[C@@H]1CCOC1
365635330	ZINC000354707539	ref	4.52	-24.87	0	281.377	1.401	1	3	5	CCO[C@H](C(=O)N[C@H]1CC[S@](=O)C1)c1ccccc1
365635336	ZINC000354706491	ref	4.28	-22.02	0	292.383	1.784	2	4	5	CC[C@@H]1CCCC[C@H]1C(=O)Nc1cnn(CC(=O)NC)c1
365635342	ZINC000354706744	ref	3.99	-10.47	0	275.389	1.293	1	4	10	CC[C@@H](C)C(=O)N(C)C[C@H](O)COCCOC(C)C
365635346	ZINC000354707375	ref	4.0	-10.57	0	276.38	1.802	2	2	7	C[C@H](CC[N@H+](C)[C@@H]1CCNC1=O)OCc1ccccc1
365635350	ZINC000354707375	mid	6.28	-41.51	1	276.38	1.802	2	2	7	C[C@H](CC[N@@H+](C)[C@@H]1CCNC1=O)OCc1ccccc1
365635355	ZINC000354707375	high	4.0	-10.57	0	276.38	1.802	1	3	7	C[C@H](CCN(C)[C@@H]1CCNC1=O)OCc1ccccc1
343993956	ZINC000079919409	ref	5.78	-8.27	0	289.331	2.455	1	5	7	COC(=O)c1ccoc1CN(CCCO)c1ccccc1
290622586	ZINC000309256894	ref	6.36	-8.81	0	286.144	3.117	1	1	2	C[C@H]1CC[C@@H]1NC(=O)c1cc(Br)ccc1F
178302234	ZINC000082799069	ref	5.35	-44.11	1	260.432	2.083	1	5	6	C[NH2+][C@H](C)C[C@H](C)Sc1nnc(N(C)C)s1
398249186	ZINC000651463776	low	7.75	-29.51	1	254.333	3.414	1	2	4	c1ccc([C@H]2CC[C@@H](CNc3cccc[nH+]3)O2)cc1
349534829	ZINC000621494266	ref	7.11	-9.96	0	274.355	3.109	1	1	3	CC(C)(C)[C@H]1CCN(C(=O)NCC[C@H]2CC2(F)F)C1
349534835	ZINC000621493468	ref	7.75	-9.35	0	274.355	3.252	1	1	4	CC[C@@H]1CC[C@H](C)N(C(=O)NCC[C@@H]2CC2(F)F)C1
349534840	ZINC000621493254	ref	10.19	-10.76	0	297.402	3.394	1	2	5	CCc1ccc(CN(C(=O)c2[nH]c(C)nc2C)C2CC2)cc1
365635360	ZINC000354708432	ref	7.03	-38.42	1	266.385	1.641	1	2	3	C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]1CCCO1
365635369	ZINC000354708432	mid	6.8	-39.2	1	266.385	1.641	1	2	3	C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]1CCCO1
365635374	ZINC000354708422	ref	2.33	-13.62	0	290.367	1.542	3	4	7	C[C@@H](CO)CCCNC(=O)NCc1cnn2ccccc12
349534845	ZINC000621492330	ref	7.77	-8.14	0	274.355	3.252	1	1	4	CC[C@@H]1CC[C@@H](C)N(C(=O)NCC[C@@H]2CC2(F)F)C1
365635381	ZINC000354707785	ref	4.39	-8.6	0	257.293	1.553	1	4	5	COCc1cccc(CNC(=O)c2cncnc2)c1
365635389	ZINC000354707250	ref	3.76	-19.06	0	280.324	1.483	2	4	4	COc1cc[nH]c(=O)c1C(=O)N[C@@H](C)[C@@H]1CCCCO1
365635393	ZINC000354707568	ref	2.47	-8.16	0	294.439	1.776	3	2	3	C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1
365639450	ZINC000354713245	mid	4.34	-38.29	1	274.43	1.484	2	3	6	CC(C)(C)OCCCC[N@H+]1CCSC[C@@H]1C(N)=O
365635327	ZINC000641602923	ref	2.25	-10.16	0	283.34	1.519	1	3	4	CC1(C)C[C@H](NS(=O)(=O)C[C@]2(C)CC2(F)F)CO1
342079142	ZINC000625301357	ref	3.24	-14.16	0	293.339	1.655	2	3	5	O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1c[nH]cn1
342079143	ZINC000625301357	mid	3.75	-43.66	1	293.339	1.655	2	3	5	O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1cnc[nH]1
365635333	ZINC000641599970	ref	3.58	-10.11	0	265.332	1.963	1	3	4	CC(=O)NCC[C@@H]1CCCN(c2ccncc2F)C1
214185619	ZINC000293579444	ref	5.79	-24.01	0	366.447	0.003	0	8	5	O=S(=O)(CC[C@@H]1CCOC1)N1CCN(c2ccc3nncn3n2)CC1
136229242	ZINC000184906589	ref	4.13	-18.7	0	236.315	0.904	1	2	4	CC#CCCCC(=O)N1CCC[C@@H](C(N)=O)C1
214185621	ZINC000293582501	ref	3.71	-49.83	1	366.487	0.936	2	4	4	CNS(=O)(=O)c1ccc(C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)cn1
136229243	ZINC000184912712	ref	5.13	-10.98	0	211.305	1.723	1	2	8	CC#CCCCC(=O)NCCCOCC
214185625	ZINC000293582501	mid	4.23	-48.53	1	366.487	0.936	2	4	4	CNS(=O)(=O)c1ccc(C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)cn1
214185626	ZINC000293572671	ref	1.32	-20.2	0	359.448	0.496	2	7	7	COC(=O)C1(CS(=O)(=O)NC[C@@H](O)c2cnn(C)c2)CCCCC1
214185631	ZINC000293572671	high	0.94	-52.51	-1	359.448	0.496	1	7	7	COC(=O)C1(CS(=O)(=O)[N-]C[C@@H](O)c2cnn(C)c2)CCCCC1
214185635	ZINC000293577406	ref	3.55	-20.13	0	365.455	0.494	0	5	4	CN1C(=O)C[C@H](C(=O)N2CC[C@H](CS(C)(=O)=O)C2)[C@H]1c1cccnc1
214185638	ZINC000293580572	ref	4.37	-13.72	0	368.397	0.628	1	7	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cccc(C)c1C#N)C2
214185644	ZINC000293585087	ref	4.23	-13.15	0	360.374	0.622	2	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCC[C@@H]1c1cc[nH]n1
214185649	ZINC000293579629	ref	1.48	-47.63	1	374.441	0.318	5	4	6	C[C@]1(c2ccc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)cc2)NC(=O)NC1=O
214185651	ZINC000293579629	high	-0.83	-12.93	0	374.441	0.318	4	5	6	C[C@]1(c2ccc(C(=O)N[C@H](CO)CN3CCCCC3)cc2)NC(=O)NC1=O
214185656	ZINC000293571478	ref	3.43	-17.04	0	368.437	0.898	1	5	5	O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1cnc2ccccc2c1
214185662	ZINC000293571478	low	5.87	-53.22	1	368.437	0.898	2	4	5	O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1cnc2ccccc2c1
214185666	ZINC000293582977	ref	1.19	-16.79	0	354.403	0.704	3	6	8	COCCOC(=O)c1c(C)[nH]c(C(=O)NC[C@H]2CC[C@@H](CO)O2)c1C
214185671	ZINC000293577227	ref	1.89	-13.22	0	366.439	0.935	2	5	2	CS(=O)(=O)c1ccccc1NC(=O)C(=O)N1CC[C@H](O)C12CCCC2
365635338	ZINC000641599970	low	4.05	-42.38	1	265.332	1.963	1	2	4	CC(=O)NCC[C@@H]1CCCN(c2cc[nH+]cc2F)C1
365635345	ZINC000641602934	ref	2.1	-10.36	0	296.392	1.424	1	4	5	C[C@@H](CNS(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2)c1ccccn1
365635354	ZINC000641602890	ref	4.42	-11.27	0	273.332	1.825	1	3	3	O=C(c1ccc(OC2CCC2)cc1)N1C[C@@H]2C[C@]2(O)C1
365635361	ZINC000641601907	ref	3.64	-8.76	0	261.387	1.756	0	3	5	CC[C@@H](C)N(CC)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1O2
365635368	ZINC000641602733	ref	6.28	-8.44	0	269.348	1.785	2	4	5	Cc1cncnc1NC[C@@]1(CO)C[C@H]1c1ccccc1
365635376	ZINC000641602550	ref	6.5	-13.29	0	297.424	1.937	1	4	7	C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCn1ccnc1
365635383	ZINC000641602550	low	7.01	-44.02	1	297.424	1.937	1	3	7	C=CC[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCn1cc[nH+]c1
365635388	ZINC000641602808	ref	5.22	-10.82	0	279.286	1.661	1	2	2	O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1C[C@@H]2C[C@]2(O)C1
365635394	ZINC000641599759	ref	-0.31	-15.46	0	298.368	1.318	1	6	5	Cc1nc(C(C)C)oc1CNS(=O)(=O)c1cnn(C)c1
365635401	ZINC000641599759	high	-0.69	-45.41	-1	298.368	1.318	0	6	5	Cc1nc(C(C)C)oc1C[N-]S(=O)(=O)c1cnn(C)c1
365635406	ZINC000641602810	ref	5.22	-12.11	0	279.286	1.661	1	2	2	O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1C[C@H]2C[C@@]2(O)C1
365635415	ZINC000641602939	ref	2.26	-13.38	0	296.392	1.424	1	4	5	C[C@@H](CNS(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2)c1ccccn1
398249188	ZINC000650870821	ref	4.56	-13.38	0	284.4	1.602	2	3	3	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C
398249191	ZINC000650873546	ref	3.84	-22.35	0	288.413	1.538	1	3	4	CCS(=O)(=O)C[C@H](C)NC(=O)N1CCC12CCCC2
365635422	ZINC000641602720	ref	2.62	-10.31	0	261.387	1.663	1	3	4	CC1(CS(=O)(=O)N[C@H]2COC(C)(C)C2)CCC1
365635429	ZINC000641599532	ref	5.16	-10.05	0	251.24	1.547	1	5	4	Cc1cncnc1NCc1nccc(C(F)F)n1
365635434	ZINC000641602554	ref	5.69	-12.21	0	259.375	1.333	0	4	7	CC[C@H](C)N(CC)S(=O)(=O)CCn1ccnc1
365635440	ZINC000641602554	low	6.2	-41.77	1	259.375	1.333	0	3	7	CC[C@H](C)N(CC)S(=O)(=O)CCn1cc[nH+]c1
398249195	ZINC000650873897	ref	1.65	-10.87	0	281.4	1.025	2	3	3	C[C@H](NC(=O)N1CC(N2CC[C@@H](O)C2)C1)C1CCCC1
365635448	ZINC000641602775	ref	7.57	-42.27	1	261.369	1.773	2	3	5	CC(C)[N@@H+](C)C[C@@H](C)Nc1ccc2c(n1)C(=O)CC2
259308317	ZINC000356845875	ref	5.13	-31.17	1	248.37	2.479	2	2	8	C=CC[C@@H](CO)C[NH2+][C@H](C)c1ncccc1CC
365635453	ZINC000641602775	mid	7.88	-41.92	1	261.369	1.773	2	3	5	CC(C)[N@H+](C)C[C@@H](C)Nc1ccc2c(n1)C(=O)CC2
365635458	ZINC000641602775	high	5.07	-11.98	0	261.369	1.773	1	4	5	CC(C)N(C)C[C@@H](C)Nc1ccc2c(n1)C(=O)CC2
349534830	ZINC000093281070	high	2.46	-7.03	0	285.384	0.906	1	5	5	COC(=O)C(C)(C)[C@H]1CCCN(CC2(CO)COC2)C1
282122574	ZINC000449154433	high	3.47	-4.63	0	269.41	2.206	2	4	7	COc1cc(C)ccc1CN[C@@H](C)[C@H](CO)SC
282122578	ZINC000449153370	ref	7.94	-36.82	1	272.392	2.317	1	1	4	C[C@H]([NH2+]C1CC1)C(=O)N1CC[C@](C)(c2ccccc2)C1
342079144	ZINC000625301357	low	3.74	-43.74	1	293.339	1.655	2	2	5	O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1c[nH+]c[nH]1
190493719	ZINC000269436879	ref	2.7	-13.46	0	254.305	2.417	3	2	5	CC[C@@H](O)CCNC(=O)Nc1cc(C)cc(F)c1
190493720	ZINC000269436631	ref	6.92	-11.37	0	282.706	2.124	0	4	4	CN(C(=O)CCn1cc(Cl)cn1)c1ncccc1F
197593259	ZINC000162810625	ref	8.57	-47.13	-1	307.375	2.077	0	7	7	COCCn1c(SCC(=O)[O-])nnc1-c1ccc(C)cc1
365635339	ZINC000274358370	low	6.0	-52.24	1	287.323	1.419	2	4	3	O=C(Nc1cncnc1)N1CC[NH+](Cc2ccco2)CC1
365635347	ZINC000274357779	ref	6.47	-19.36	0	291.303	1.374	0	5	2	CC(=O)N1CCC[C@H]1C(=O)Oc1ccc2c(c1)OCCO2
365635357	ZINC000274360196	ref	4.42	-9.03	0	264.329	1.658	2	4	3	CO[C@@H]1[C@H](C)[C@H](NC(=O)Nc2cncnc2)C1(C)C
365635365	ZINC000274357269	ref	3.55	-10.21	0	278.356	1.737	2	4	1	CC(C)(C)[C@@H]1CCN(C(=O)Nc2cncnc2)C[C@@H]1O
398249189	ZINC000651462587	ref	4.68	-42.4	1	283.437	3.109	2	3	7	C[C@H](CCCCO)[NH2+][C@H]1CCO[C@@H](c2cccs2)C1
365635370	ZINC000274359723	ref	4.95	-38.17	1	276.38	1.571	2	2	5	CC(C)[C@@H](CO)[NH2+]CC(=O)N1c2ccccc2C[C@@H]1C
398249192	ZINC000651464419	ref	4.82	-44.03	-1	299.374	3.091	0	4	4	c1ccc([C@H]2CC[C@@H](CN=c3[n-]c(C4CCC4)no3)O2)cc1
190493722	ZINC000269434690	ref	6.9	-14.99	0	291.347	1.739	0	4	3	Cc1ccc(OCC(=O)N2CCCC3(C2)OCCO3)cc1
190493723	ZINC000269434010	ref	5.15	-15.52	0	266.385	2.011	2	2	5	CCNC(=O)C(C)(C)CNC(=O)/C=C1/CC[C@@H](C)C1
342079145	ZINC000625301357	low	3.74	-43.74	1	293.339	1.655	2	2	5	O=S(=O)(C[C@@H]1CCCCC1(F)F)NCc1c[nH]c[nH+]1
342079146	ZINC000625302766	ref	3.67	-39.08	1	277.368	1.876	1	4	4	COc1cncc(C[N@@H+]2CCC[C@H]2C2CCOCC2)n1
342079147	ZINC000625302766	mid	3.43	-39.0	1	277.368	1.876	1	4	4	COc1cncc(C[N@H+]2CCC[C@H]2C2CCOCC2)n1
342079148	ZINC000625302766	high	1.64	-5.63	0	277.368	1.876	0	5	4	COc1cncc(CN2CCC[C@H]2C2CCOCC2)n1
342079149	ZINC000089765587	ref	2.83	-12.3	0	298.39	1.809	1	4	3	C[C@@H](C(=O)Nc1cncc2ccccc12)N1CCN(C)CC1
342079150	ZINC000089765587	mid	5.19	-35.88	1	298.39	1.809	2	3	3	C[C@@H](C(=O)Nc1cncc2ccccc12)N1CC[NH+](C)CC1
342079151	ZINC000600311950	ref	7.61	-41.46	1	282.384	1.178	2	3	5	CCOC(=O)C1(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1
214185650	ZINC000278486137	ref	8.32	-11.13	0	320.392	3.38	1	3	3	C[C@@H]1COCC[C@H]1NC(=O)c1ccccc1-c1ccccc1C#N
398249190	ZINC000649443116	ref	6.17	-52.9	1	227.271	1.039	1	4	2	C1=C(c2ccc(-n3cnnn3)cc2)CC[NH2+]C1
214185655	ZINC000278485118	ref	7.36	-6.44	0	301.777	3.064	0	3	1	CC1(C)CN(C(=O)c2cnc(Cl)cn2)Cc2ccccc21
214185658	ZINC000278485181	ref	6.08	-10.99	0	312.377	2.119	0	7	3	Cc1nc(C[C@@H]2CCCN(c3ccnc4c3cnn4C)C2)no1
398249194	ZINC000649443089	ref	5.82	-6.81	0	240.302	3.089	1	2	2	Cc1c(CO)cccc1-c1ccc2c(c1)CCO2
214185659	ZINC000278485500	ref	7.26	-17.62	0	313.323	3.101	1	2	2	O=C(C1CC=CC1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
214185660	ZINC000278485500	mid	7.18	-12.61	0	313.323	3.101	1	2	2	O=C(C1CC=CC1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
214185664	ZINC000278486012	ref	7.14	-51.48	1	321.367	3.462	2	2	8	Cc1ccc([C@H](O)C[NH2+]Cc2ccc(OCC(F)F)cc2)cc1
214185667	ZINC000278486012	high	5.79	-9.69	0	321.367	3.462	2	3	8	Cc1ccc([C@H](O)CNCc2ccc(OCC(F)F)cc2)cc1
214185670	ZINC000278485587	ref	8.82	-10.35	0	315.402	3.24	0	7	4	CC(C)(C)c1cc(CSc2nnnn2-c2ccccc2)no1
361823497	ZINC000614362325	ref	0.43	-12.41	0	322.361	1.291	2	5	1	C[C@@H]1C[C@]2(CCO1)CN(C(=O)c1cc(O)cc(=O)[nH]1)C[C@@H](C)O2
361823506	ZINC000614362266	ref	5.71	-9.89	0	308.378	1.792	0	5	3	C[C@H]1CN(C(=O)CCc2ccon2)C[C@@]2(CCO[C@H](C)C2)O1
361823513	ZINC000614361486	ref	8.02	-49.27	1	301.394	1.546	3	3	8	C[NH+](C)[C@@H](CC(=O)NCCCc1nnc[nH]1)c1ccccc1
361823518	ZINC000614361486	mid	7.62	-47.12	1	301.394	1.546	3	3	8	C[NH+](C)[C@@H](CC(=O)NCCCc1nc[nH]n1)c1ccccc1
361823525	ZINC000614363071	ref	4.2	-19.16	0	320.389	1.515	1	4	2	C[C@H]1CN(C(=O)Cc2ccc(=O)[nH]c2)C[C@]2(CCO[C@H](C)C2)O1
361823528	ZINC000614361242	ref	5.16	-16.35	0	307.313	1.798	2	6	3	C[C@@H](NC(=O)c1cc(O)cc(C#N)c1)c1nnc2ccccn12
361823533	ZINC000614361242	mid	5.91	-46.7	-1	307.313	1.798	1	6	3	C[C@@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nnc2ccccn12
361823539	ZINC000614362326	ref	0.41	-12.46	0	322.361	1.291	2	5	1	C[C@H]1CN(C(=O)c2cc(O)cc(=O)[nH]2)C[C@]2(CCO[C@H](C)C2)O1
361823545	ZINC000614361658	ref	8.16	-49.89	1	315.417	1.592	1	2	4	CN(C(=O)[C@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1)c1ccccc1
178302241	ZINC000082800551	ref	4.38	-41.73	0	276.134	1.399	1	4	4	C[C@@H](C[C@](C)([NH3+])C(=O)[O-])n1cc(Br)cn1
398249193	ZINC000366663118	high	6.36	-3.3	0	227.71	3.145	1	1	4	FCCNC1CC(c2cccc(Cl)c2)C1
365635344	ZINC000623066960	ref	8.27	-45.87	1	317.437	1.544	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1
136229245	ZINC000184904586	ref	6.47	-7.63	0	247.338	2.784	1	2	7	C=C(C)C[C@H](C)C(=O)NCCOc1ccccc1
282122580	ZINC000449153370	high	6.81	-9.01	0	272.392	2.317	1	2	4	C[C@H](NC1CC1)C(=O)N1CC[C@](C)(c2ccccc2)C1
282122585	ZINC000449154135	ref	5.14	-37.88	1	270.417	2.088	2	2	9	CCC[NH2+][C@@H](C)C(=O)NCC1(CCOC)CCCC1
342079152	ZINC000600311950	mid	7.73	-41.78	1	282.384	1.178	2	3	5	CCOC(=O)C1(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1
342079153	ZINC000625301188	ref	4.31	-47.91	1	274.368	1.461	2	4	8	Cn1cc(CC[NH2+][C@@H](CCCO)c2ccccc2)nn1
398249197	ZINC000367325723	ref	6.59	-29.79	1	236.359	2.036	1	1	2	CC(C)=CC(=O)N(C)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C
398249202	ZINC000367325723	mid	6.89	-29.58	1	236.359	2.036	1	1	2	CC(C)=CC(=O)N(C)C1C[C@@H]2CC[C@H](C1)[N@H+]2C
398249206	ZINC000367081880	ref	4.89	-40.3	1	227.348	1.818	1	2	5	COC[C@@H](C)C[NH2+][C@H]1CCC12CCOCC2
342079154	ZINC000302473438	ref	3.85	-7.96	0	275.732	1.792	1	4	7	CC(C)N(CCOCCO)C(=O)c1ccc(Cl)o1
342079155	ZINC000625300078	ref	1.26	-39.44	1	293.407	1.756	4	3	9	OCCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccccc1
342079156	ZINC000625300078	high	0.25	-5.91	0	293.407	1.756	4	4	9	OCCC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccccc1
398249208	ZINC000367095005	ref	6.34	-42.96	1	215.312	2.283	1	1	5	CCO[C@@H]1C[C@@H]([NH2+]CCF)C12CCCC2
398249211	ZINC000367095005	high	5.2	-2.37	0	215.312	2.283	1	2	5	CCO[C@@H]1C[C@@H](NCCF)C12CCCC2
178302257	ZINC000082800148	ref	5.86	-15.22	0	260.742	2.481	0	3	4	CC(=O)C[C@@H](C)S(=O)(=O)c1ccccc1Cl
214185665	ZINC000337625581	ref	4.56	-10.32	0	287.201	0.983	2	5	3	Cn1cc(C(=O)C(=O)Nc2nc(C(F)(F)F)c[nH]2)cn1
136229246	ZINC000184903162	ref	8.63	-6.95	0	249.329	3.386	0	1	5	C=C(C)C[C@@H](C)C(=O)N(C)Cc1cccc(F)c1
214185668	ZINC000337625581	mid	4.48	-8.31	0	287.201	0.983	2	5	3	Cn1cc(C(=O)C(=O)Nc2ncc(C(F)(F)F)[nH]2)cn1
214185673	ZINC000337626482	ref	8.17	-17.65	0	273.384	2.365	1	4	3	C[C@@H]1CCCC[C@H]1CCN=c1ncnc2[nH]n(C)cc1-2
214185678	ZINC000337626589	ref	-1.09	-17.91	0	264.347	-0.102	2	4	5	C[C@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCOC1
214185683	ZINC000337624434	ref	9.86	-9.96	0	296.345	3.448	0	3	3	CN(C[C@@H]1OCCc2ccccc21)c1cccc(F)c1C#N
365635349	ZINC000623067049	ref	2.89	-47.54	1	313.199	1.582	2	3	4	C[C@H]([NH3+])[C@H](C)NC(=O)c1nc(C2CC2)ncc1Br
342595922	ZINC000616974012	ref	5.2	-16.82	0	252.318	1.128	0	5	6	CC[C@H](C)N(CC)C(=O)Cn1cc(C(C)=O)nn1
365635353	ZINC000623067838	ref	5.37	-48.68	1	321.812	1.993	2	4	6	C[C@@H](CCC[NH3+])NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365635358	ZINC000623067279	ref	3.22	-42.44	1	304.213	1.776	2	3	2	C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ncc(Br)s1
365635363	ZINC000623066657	ref	5.55	-44.23	1	307.785	1.473	2	4	5	C[NH2+][C@@H](C)CNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365635367	ZINC000623066613	ref	3.49	-45.79	1	306.229	1.962	1	3	4	CN(CC(C)(C)C[NH3+])C(=O)c1ncc(Br)s1
282122582	ZINC000261889724	ref	5.17	-48.39	1	289.383	0.407	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC13CC[NH2+]CC3)CC2
342595923	ZINC000616973933	ref	3.75	-19.6	0	264.3	1.153	2	2	5	O=C(CCCc1ccc(F)cc1)N[C@H]1CCNC1=O
282122596	ZINC000284098513	ref	7.46	-21.47	0	324.384	1.778	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC(=O)c3ccccc31)CC2
282122612	ZINC000408003713	ref	4.91	-48.21	1	263.345	0.112	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)CC2
282122615	ZINC000408003713	mid	5.43	-44.76	1	263.345	0.112	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)CC2
282122618	ZINC000408003713	mid	3.18	-16.63	0	263.345	0.112	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1C)CC2
342595924	ZINC000616974729	ref	3.17	-17.73	0	266.728	1.448	2	2	3	C[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(Cl)cc1
282122624	ZINC000180948803	ref	4.78	-57.26	1	277.372	0.55	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@]1(C)CCCC[NH2+]1)CC2
365635373	ZINC000623066711	ref	6.27	-53.72	1	317.433	1.994	1	2	4	[NH3+]CCCOC1CCN(C(=O)N2CCc3ccccc3C2)CC1
365635379	ZINC000623067116	ref	6.29	-47.7	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)cn1
365635386	ZINC000623066898	ref	4.95	-48.72	1	302.378	1.368	2	3	5	CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1nc2ccccc2c(=O)[nH]1
282122632	ZINC000180948803	high	3.66	-13.13	0	277.372	0.55	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@]1(C)CCCCN1)CC2
365635392	ZINC000623066898	mid	3.76	-67.78	0	302.378	1.368	1	3	5	CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1nc2ccccc2c(=O)[n-]1
365635397	ZINC000623067522	ref	0.74	-47.01	-1	319.39	1.966	2	5	1	CC1(C)C[C@H](NC(=O)N=c2[n-]ncs2)c2cc(N)ccc2O1
262839557	ZINC000035152951	ref	6.33	-6.4	0	239.315	1.823	1	3	6	C/C=C/C=C/C(=O)N[C@@H](CC(C)C)C(=O)OC
365635402	ZINC000623066743	ref	1.15	-54.83	1	304.35	1.019	3	3	4	CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc2c(c1)C(=O)NC2=O
398249196	ZINC000651465234	ref	4.84	-7.67	0	283.375	3.108	2	4	6	OCC1(CCNc2cncc(-c3ccccc3)n2)CCC1
398249200	ZINC000651463108	ref	9.14	-5.39	0	282.391	3.251	1	4	5	CCc1cccc(CNc2cc(N3CCCC3)ncn2)c1
178302248	ZINC000040310709	ref	4.71	-13.71	0	229.283	1.712	1	4	3	Cc1cc2nc(CCO)n(CC#N)c2cc1C
214185663	ZINC000053517357	ref	9.88	-15.62	0	332.411	3.337	1	5	5	C[C@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2ccccc2[nH]1
214185669	ZINC000053517357	mid	12.05	-48.36	1	332.411	3.337	2	4	5	C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2ccccc2[nH]1
185088906	ZINC000096076214	ref	7.63	-40.67	1	292.383	0.605	1	4	1	Cn1ccnc1C(=O)N1CCC[C@]2(COCC[N@H+](C)C2)C1
178302251	ZINC000040310709	low	5.19	-35.65	1	229.283	1.712	1	3	3	Cc1cc2[nH+]c(CCO)n(CC#N)c2cc1C
282122587	ZINC000533470077	mid	4.86	-42.09	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1
185088909	ZINC000096076214	mid	6.66	-42.63	1	292.383	0.605	1	4	1	Cn1ccnc1C(=O)N1CCC[C@]2(COCC[N@@H+](C)C2)C1
214190644	ZINC000337633918	ref	3.21	-18.42	0	286.311	-0.56	3	5	7	C[C@@H](Cn1cncn1)NC(=O)N[C@H](C)C(=O)NCCF
365635351	ZINC000576595927	low	7.34	-42.94	1	248.33	1.596	1	2	6	CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH+]c[nH]1
185088910	ZINC000096076214	high	5.7	-8.35	0	292.383	0.605	0	5	1	CN1CCOC[C@]2(CCCN(C(=O)c3nccn3C)C2)C1
185088913	ZINC000096075803	ref	4.92	-52.41	1	264.394	2.429	2	2	3	O=C1CCC2(CCC([NH2+]Cc3cccs3)CC2)N1
398249204	ZINC000651463108	low	9.62	-31.2	1	282.391	3.251	1	3	5	CCc1cccc(CNc2cc(N3CCCC3)nc[nH+]2)c1
365635356	ZINC000576595927	low	7.34	-42.79	1	248.33	1.596	1	2	6	CCN(C[C@H](C)C#N)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1
365635362	ZINC000576593926	ref	6.37	-6.66	0	236.359	2.688	2	1	7	C=C(CC)CNC(=O)NCC(C1CC1)C1CC1
185088916	ZINC000096075391	ref	3.98	-12.75	0	264.35	1.633	1	3	1	O=C1CCC2(CCN(C(=O)c3ccsc3)CC2)N1
365635371	ZINC000576592748	ref	6.26	-8.15	0	231.267	1.29	0	3	4	CCOC(=O)CCC(=O)N1CCC[C@H](F)C1
398249207	ZINC000651463108	low	9.23	-29.02	1	282.391	3.251	1	3	5	CCc1cccc(CNc2cc(N3CCCC3)[nH+]cn2)c1
178302269	ZINC000026972654	ref	3.72	-35.71	0	233.271	1.134	2	3	3	Cc1cc2nc(C[C@H]([NH3+])C(=O)[O-])[nH]c2cc1C
349536130	ZINC000602431545	ref	10.38	-48.54	1	248.345	3.758	1	1	6	C[C@@H](CCC#N)C[N@H+](C)[C@@H](C)c1ccc(F)cc1
365635378	ZINC000576594152	ref	4.3	-6.89	0	245.326	1.953	1	3	3	CO[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)[C@@H](C)C1
365635377	ZINC000274359723	high	4.08	-8.99	0	276.38	1.571	2	3	5	CC(C)[C@@H](CO)NCC(=O)N1c2ccccc2C[C@@H]1C
214185672	ZINC000053517357	mid	11.85	-52.92	1	332.411	3.337	2	4	5	C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2ccccc2[nH]1
343993959	ZINC000079915658	ref	8.46	-12.65	0	288.42	2.448	0	5	6	CN(CCSc1ccccc1)Cc1nnc2n1CCC2
365635382	ZINC000274360400	ref	3.52	-10.97	0	276.34	1.635	2	4	1	O=C(Nc1cncnc1)N1CC[C@@]2(O)CCCC[C@H]2C1
365635391	ZINC000274360077	ref	5.22	-13.78	0	263.297	1.394	1	5	3	COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cncnc2)C1
365635399	ZINC000274359035	ref	2.17	-14.62	0	276.344	1.32	3	4	4	Cc1n[nH]cc1CNC(=O)N[C@H](C)c1cn(C)nc1C
365635405	ZINC000274359035	mid	2.18	-14.04	0	276.344	1.32	3	4	4	Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1cn[nH]c1C
214185675	ZINC000053507757	ref	7.43	-25.85	0	345.468	3.059	1	4	7	CCN(CC)c1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)cn1
365635412	ZINC000274358481	ref	5.11	-8.88	0	273.34	1.95	0	6	4	CCOc1cc(N2CCC[C@H]2c2cnn(C)c2)ncn1
214185681	ZINC000053516520	ref	8.88	-17.12	0	331.395	2.516	0	5	4	C[C@@H]1CCCC[C@H]1N(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1
365635417	ZINC000274360233	ref	3.14	-11.15	0	273.315	1.333	0	5	3	Fc1cncc(CN2CCN(c3cccnn3)CC2)c1
365635424	ZINC000274360233	low	5.66	-50.01	1	273.315	1.333	1	4	3	Fc1cncc(C[NH+]2CCN(c3cccnn3)CC2)c1
398249198	ZINC000649443260	ref	5.29	-44.22	1	201.269	2.093	1	1	1	C1=C(c2ccc3c(c2)COC3)CC[NH2+]C1
214185686	ZINC000053508720	ref	8.91	-11.46	0	331.441	2.596	0	5	3	O=C(CSc1ncc2ccccn12)N1CCO[C@H]2CCCC[C@H]21
214185691	ZINC000053508720	low	9.39	-37.24	1	331.441	2.596	0	4	3	O=C(CSc1[nH+]cc2ccccn12)N1CCO[C@H]2CCCC[C@H]21
365635428	ZINC000274358150	ref	2.77	-14.33	0	279.369	1.599	2	5	7	Cc1ncc(CNC(=O)CCCCc2c[nH]nn2)s1
365635436	ZINC000274358150	mid	2.69	-11.03	0	279.369	1.599	2	5	7	Cc1ncc(CNC(=O)CCCCc2cn[nH]n2)s1
365635444	ZINC000274359271	ref	0.96	-9.59	0	268.361	1.314	4	3	5	Cc1n[nH]cc1CNC(=O)N[C@H](CO)CC(C)(C)C
365635449	ZINC000274359271	mid	0.91	-9.23	0	268.361	1.314	4	3	5	Cc1[nH]ncc1CNC(=O)N[C@H](CO)CC(C)(C)C
262839558	ZINC000399585012	ref	4.93	-37.42	1	238.306	2.384	2	1	4	CC(C)[C@H](C(=O)Nc1ccc(F)cc1)[C@@H](C)[NH3+]
365635456	ZINC000274357148	ref	4.85	-22.72	0	281.377	1.395	0	3	3	CC[C@H]1Cc2ccccc2CN1C(=O)CS(C)(=O)=O
214185676	ZINC000293578596	ref	3.95	-18.3	0	362.415	0.57	1	8	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(-n2nnnc2SC)c1
349534833	ZINC000594968605	ref	8.59	-52.26	1	268.364	2.625	1	3	4	Cc1ncc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1C
349534839	ZINC000594968605	low	9.07	-113.42	2	268.364	2.625	1	2	4	Cc1[nH+]cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1C
214185679	ZINC000293584175	ref	2.68	-55.71	1	355.435	0.703	2	3	4	C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1
365635384	ZINC000576594152	mid	6.55	-38.94	1	245.326	1.953	1	3	3	CO[C@H]1CC[N@@H+](Cc2ccc(C#N)cn2)[C@@H](C)C1
178302250	ZINC000237214361	ref	8.93	-83.0	0	367.449	1.99	2	4	6	C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)CC1
178302254	ZINC000237214361	mid	8.75	-85.0	0	367.449	1.99	2	4	6	CN1CC[NH+](Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)CC1
136229247	ZINC000232465702	ref	6.48	-36.8	1	230.355	2.406	2	1	3	c1ccc2c(c1)CCC[C@H]2NC[C@H]1CCC[NH2+]1
136229248	ZINC000232465702	low	7.37	-123.78	2	230.355	2.406	2	0	3	c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1
178302256	ZINC000237214361	mid	6.5	-58.62	-1	367.449	1.99	1	5	6	CN1CCN(Cc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)cc2)CC1
349534842	ZINC000594968605	high	7.53	-9.74	0	268.364	2.625	1	4	4	Cc1ncc(CNC(C)(C)c2cccc(C#N)c2)n1C
178302259	ZINC000237203975	ref	3.69	-45.97	1	366.483	1.6	1	4	6	CN(C(=O)CCOc1ccc(S(C)(=O)=O)cc1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
199273046	ZINC000294962906	ref	7.81	-6.37	0	286.734	3.43	0	3	4	O=[N+]([O-])c1ccc(CN2CCC(CF)CC2)c(Cl)c1
136229249	ZINC000292817282	ref	-0.19	-8.55	0	235.287	0.736	3	3	5	C=C[C@H](CO)NC(=O)NCc1ccncc1C
398249465	ZINC000381274479	mid	1.62	-12.67	0	240.332	0.557	1	5	3	Cc1nnsc1CN[C@H]1CCC(=O)N(C)C1
214185684	ZINC000293584175	high	2.5	-76.4	0	355.435	0.703	1	3	4	C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1
168364840	ZINC000044461033	ref	4.37	-36.95	1	177.247	1.727	1	1	2	C[C@@H]([NH3+])C[C@@H]1Cc2ccccc2O1
214185687	ZINC000293584695	ref	6.74	-48.76	1	359.47	0.949	2	3	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
136229250	ZINC000184919679	ref	5.88	-7.24	0	232.327	2.861	1	2	5	C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cccnc1
214185693	ZINC000293584695	mid	6.98	-48.33	1	359.47	0.949	2	3	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
214185694	ZINC000293584695	high	5.34	-14.51	0	359.47	0.949	1	4	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
365635387	ZINC000576594152	mid	4.3	-6.89	0	245.326	1.953	0	4	3	CO[C@H]1CCN(Cc2ccc(C#N)cn2)[C@@H](C)C1
365635395	ZINC000576593561	ref	1.1	-13.28	0	235.234	0.171	2	2	3	CC(=O)NC1CN(C(=O)NCC(C)(F)F)C1
365635404	ZINC000576596141	ref	4.75	-30.57	1	224.348	1.775	2	1	3	C[C@@H]1CCC(C)(C)[N@@H+]1CC[C@H]1CCNC1=O
365635411	ZINC000576596141	mid	4.97	-29.38	1	224.348	1.775	2	1	3	C[C@@H]1CCC(C)(C)[N@H+]1CC[C@H]1CCNC1=O
365635419	ZINC000576593699	ref	4.73	-49.68	1	222.332	1.276	2	1	5	[NH3+][C@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)C1CC1
365635427	ZINC000576596035	ref	5.7	-16.81	0	234.303	1.397	2	3	6	CC[C@@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]cn1
365635435	ZINC000576596035	mid	5.0	-16.45	0	234.303	1.397	2	3	6	CC[C@@H](CC#N)NC(=O)[C@H](C)Cc1cnc[nH]1
365635441	ZINC000576596035	low	5.51	-44.14	1	234.303	1.397	2	2	6	CC[C@@H](CC#N)NC(=O)[C@H](C)Cc1c[nH+]c[nH]1
365635445	ZINC000576596035	low	5.51	-44.05	1	234.303	1.397	2	2	6	CC[C@@H](CC#N)NC(=O)[C@H](C)Cc1c[nH]c[nH+]1
365635454	ZINC000576592491	ref	6.88	-8.14	0	215.312	2.629	0	1	3	CC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H](F)C1
342595925	ZINC000616974437	ref	3.53	-20.25	0	288.347	1.193	2	3	5	COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@@H]2CCNC2=O)cc1
365635465	ZINC000576595097	ref	3.7	-38.42	1	244.379	1.384	3	2	8	CCCNC(=O)CCC[N@H+](C)[C@H](C)C(C)(C)O
365635473	ZINC000576595097	mid	3.72	-37.07	1	244.379	1.384	3	2	8	CCCNC(=O)CCC[N@@H+](C)[C@H](C)C(C)(C)O
365635479	ZINC000576592687	ref	6.89	-8.23	0	227.323	2.773	0	1	2	CC(C)(C(=O)N1CCC[C@H](F)C1)C1CCC1
365635489	ZINC000576595375	ref	5.61	-12.54	0	246.27	1.777	1	4	2	Cc1cccc(N(C)C(=O)Nc2nc(C)no2)c1
365635496	ZINC000576595891	ref	-3.78	-8.79	0	201.222	-1.504	3	4	4	COC[C@@](C)(O)C(=O)NCC#CCO
365635505	ZINC000576592957	ref	3.27	-10.88	0	248.286	1.501	1	4	3	COc1ncncc1NC(=O)N1CC[C@H]1C1CC1
178305885	ZINC000000393886	ref	10.76	-45.08	1	243.354	3.097	1	2	2	Cc1cc2ncn(C[NH+]3CCCCC3)c2cc1C
365639196	ZINC000274370163	ref	0.3	-12.88	0	294.351	1.589	3	4	5	COc1ccc2c(c1)[C@@H](NC(=O)N[C@@H](C)CCO)CCO2
214190647	ZINC000337636063	ref	7.99	-10.2	0	291.391	2.272	0	3	6	CC[C@@H](C)OCC(=O)N1CCOC[C@H]1Cc1ccccc1
259308319	ZINC000356845875	high	4.12	-5.24	0	248.37	2.479	2	3	8	C=CC[C@@H](CO)CN[C@H](C)c1ncccc1CC
365639202	ZINC000274368968	ref	7.24	-10.58	0	290.367	1.722	1	5	5	CC(C)(C)C(=O)C(=O)NCc1nnc(C2CC2)n1C1CC1
365639208	ZINC000274370373	ref	6.04	-40.04	1	285.351	1.901	3	3	5	C[NH+](C)C[C@@H](NC(=O)Nc1cncnc1)c1ccccc1
365639213	ZINC000274370373	high	3.77	-10.46	0	285.351	1.901	2	4	5	CN(C)C[C@@H](NC(=O)Nc1cncnc1)c1ccccc1
365635390	ZINC000123274652	high	3.32	-8.16	0	253.39	2.103	2	2	4	C[C@H]1CCCCN1CCNC(=O)NC1CCCC1
365635398	ZINC000123232398	ref	7.64	-34.45	1	259.353	2.203	2	2	4	Cc1ccc(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)nc1
365635409	ZINC000123232398	mid	5.28	-7.66	0	259.353	2.203	1	3	4	Cc1ccc(NC(=O)[C@H](C2CC2)N2CCCC2)nc1
365635418	ZINC000123159172	ref	4.86	-12.54	0	256.396	2.457	1	4	7	C=CC[C@H](C)NC(=O)CSCc1cscn1
365635433	ZINC000123203001	ref	3.43	-12.43	0	291.159	2.328	1	3	3	N#CC1(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
365635446	ZINC000123203001	high	3.17	-36.8	-1	291.159	2.328	0	3	3	N#CC1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
365635460	ZINC000123170169	ref	6.55	-13.76	0	261.712	2.276	0	3	1	Cn1cc(C(=O)N2CCc3ccc(Cl)cc32)cn1
365635470	ZINC000123138288	ref	6.08	-9.8	0	266.366	2.145	1	4	2	CS[C@@H]1CCCCN(C(=O)c2ncccc2O)C1
365635482	ZINC000123138288	mid	7.09	-51.39	-1	266.366	2.145	0	4	2	CS[C@@H]1CCCCN(C(=O)c2ncccc2[O-])C1
365635491	ZINC000123229090	ref	6.06	-7.59	0	289.375	2.374	1	3	3	CO[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1OCCc2ccccc21
365635504	ZINC000123133033	ref	5.86	-17.94	0	285.347	2.018	1	3	3	CC[C@](C)(C#N)NC(=O)c1ccc2c(c1)CCC(=O)N2C
342079157	ZINC000625300885	ref	3.36	-44.3	1	268.386	1.276	2	5	6	CNC(=O)[C@H](NCc1nnc(C2CC2)s1)C(C)C
342079158	ZINC000625300885	low	3.36	-44.3	1	268.386	1.276	2	4	6	CNC(=O)[C@H]([NH2+]Cc1nnc(C2CC2)s1)C(C)C
259308321	ZINC000356848164	ref	3.76	-5.04	0	239.359	2.112	2	2	4	C=C[C@H](CO)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1
342079159	ZINC000625302477	ref	7.16	-14.65	0	266.345	1.134	0	5	5	CCC[C@H](OCC)C(=O)N1CCn2c(C)nnc2C1
342079160	ZINC000077846646	ref	2.92	-6.62	0	292.379	1.765	3	3	4	Cc1cccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)c1C
342079161	ZINC000625303292	ref	0.79	-10.31	0	263.301	1.661	0	7	5	Cc1nc(CN(C)Cc2noc(C3CCC3)n2)no1
342079162	ZINC000625302652	ref	4.59	-9.18	0	254.374	1.402	2	2	6	CCO[C@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)C1CC1
342079163	ZINC000625302652	mid	7.63	-44.83	1	254.374	1.402	2	2	6	CCO[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)C1CC1
342079164	ZINC000625302652	high	4.59	-9.18	0	254.374	1.402	1	3	6	CCO[C@H](C(=O)N[C@@H]1CCCN(CC)C1)C1CC1
342079165	ZINC000623714638	ref	4.3	-20.34	0	299.334	1.12	2	5	4	C[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)[C@H]1CCC(=O)N1
342079166	ZINC000625301459	ref	2.57	-13.07	0	283.34	1.519	1	3	5	CC1(C)C[C@@H](S(=O)(=O)NCC[C@@H]2CC2(F)F)CO1
342079167	ZINC000600311942	ref	7.88	-41.79	1	282.384	1.178	2	3	5	CCOC(=O)C1(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1
343993960	ZINC000599283964	ref	6.39	-35.54	1	299.418	1.898	2	3	3	Cc1ccc(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1C#N
343993961	ZINC000599283964	high	4.17	-6.35	0	299.418	1.898	1	4	3	Cc1ccc(CN2CCN([C@@H]3CCC[C@@H]3O)CC2)cc1C#N
214185685	ZINC000278485050	ref	5.86	-14.09	0	305.418	2.829	2	3	6	O=C(COc1ccccc1CCO)NC1CCCCCCC1
306234668	ZINC000557909178	high	0.87	-9.26	0	334.46	1.782	3	4	7	CC[C@@](C)(CO)NC(=O)c1ccc(CN2CCC(CO)CC2)cc1
306234669	ZINC000557907437	ref	5.38	-25.26	0	344.371	1.492	1	6	5	C[C@H](OCC(=O)Nc1ccc2c(c1)N(C)C(=O)CO2)c1nccn1C
365635400	ZINC000354707568	mid	5.0	-40.96	1	294.439	1.776	3	2	3	C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1
365635408	ZINC000354707568	high	2.47	-8.16	0	294.439	1.776	2	3	3	CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)C1
168364841	ZINC000368496761	ref	9.07	-58.34	1	338.224	3.411	1	2	4	Fc1cc(C[NH2+]Cc2cnc3n2CCCC3)ccc1Br
214185695	ZINC000278486341	ref	4.81	-12.97	0	307.341	2.935	1	3	3	Cc1csc(CNC(=O)N2CC[C@@H](CC(F)(F)F)C2)n1
365635414	ZINC000354707366	ref	4.0	-9.54	0	276.38	1.802	2	2	7	C[C@@H](CC[N@H+](C)[C@@H]1CCNC1=O)OCc1ccccc1
214185699	ZINC000278484798	ref	2.04	-41.94	1	306.225	2.142	2	3	5	OCC[C@]1([NH2+]Cc2cc(Br)cs2)CCOC1
214185700	ZINC000278484798	high	1.03	-4.25	0	306.225	2.142	2	4	5	OCC[C@]1(NCc2cc(Br)cs2)CCOC1
282122589	ZINC000151663989	ref	6.64	-8.63	0	306.41	2.187	1	4	6	CCCCn1ncc(NC(=O)C(=O)N(C)[C@H](C)C2CC2)c1C
282122611	ZINC000151668093	ref	1.92	-11.9	0	317.389	2.268	2	6	8	COc1cc([C@H](C)N[C@H](C)c2cnccn2)ccc1OCCO
214185712	ZINC000278484920	ref	6.9	-39.99	1	305.451	2.505	1	5	4	Cc1nc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)cs1
214185715	ZINC000278484920	mid	5.74	-7.72	0	305.451	2.505	1	6	4	Cc1nc([C@@H](C)N[C@H]2CCCN(c3ccnn3C)C2)cs1
214185718	ZINC000278486609	ref	9.49	-12.18	0	312.421	2.46	1	6	6	c1nn(Cc2nnc3n2CCCC3)cc1NC(C1CC1)C1CC1
214185724	ZINC000278484940	ref	5.02	-18.67	0	321.327	1.575	1	4	3	Cn1nccc1CC(=O)N1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F
214185726	ZINC000278486465	ref	7.41	-8.8	0	317.433	3.072	1	4	4	CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCCCC2)nc1
214185727	ZINC000278484935	ref	8.19	-8.74	0	303.383	3.176	0	5	5	COC[C@@H](OC(=O)c1ccc2c(c1)CCC2)c1nccs1
214185732	ZINC000278485931	ref	8.95	-38.67	1	321.486	3.429	1	3	7	COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@H]2CCSC2)c1
365635407	ZINC000623066743	high	-0.66	-84.62	0	304.35	1.019	2	3	4	CN(CC(C)(C)C[NH3+])C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365639451	ZINC000576605686	ref	6.86	-34.26	1	247.382	3.347	2	1	5	CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)Cc1cccc(O)c1
432002742	ZINC000062254702	low	10.64	-97.99	2	312.461	3.299	1	2	7	C[C@H](C[NH2+]Cc1ccc(N2CCCCC2)cc1)Cn1cc[nH+]c1
214185688	ZINC000337627700	ref	2.24	-14.82	0	283.315	0.762	1	4	10	CN(CCOCCO)C(=O)C(C)(C)COCC(F)F
214185690	ZINC000337624664	ref	1.37	-13.36	0	268.317	-0.861	2	3	4	CCNC(=O)CNC(=O)N1CCN(C2CC2)C(=O)C1
214185702	ZINC000337626513	ref	8.44	-12.51	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2CCC[C@H]2C)n1
214185706	ZINC000337624778	ref	6.02	-15.65	0	293.33	2.152	1	5	4	Cc1ccc(CC(=O)Nc2cnccc2-n2cccn2)cn1
214185709	ZINC000337624778	mid	6.47	-40.96	1	293.33	2.152	1	4	4	Cc1ccc(CC(=O)Nc2c[nH+]ccc2-n2cccn2)cn1
214185713	ZINC000337627356	ref	7.1	-7.83	0	285.343	3.404	1	3	3	CCc1cccc2c1OCC[C@H]2NC(=O)c1ccoc1C
214185717	ZINC000337626442	ref	6.78	-7.32	0	283.209	2.25	2	3	3	O=C(Nc1nc(C(F)(F)F)c[nH]1)C(=O)c1ccccc1
214185719	ZINC000337626442	mid	6.7	-4.9	0	283.209	2.25	2	3	3	O=C(Nc1ncc(C(F)(F)F)[nH]1)C(=O)c1ccccc1
214185721	ZINC000337626642	ref	4.73	-16.88	0	295.289	2.453	2	3	4	O=C(N[C@@H]1CCC[C@H]1OC(F)F)c1ccc2[nH]cnc2c1
214185725	ZINC000337625319	ref	3.74	-17.68	0	285.388	0.969	2	3	6	COCC(=O)N1CCC(NC(=O)NCCC(C)C)CC1
214185728	ZINC000337625878	ref	4.26	-11.43	0	259.26	0.973	2	4	4	C[C@@H](NC(=O)NC1(C(F)F)CC1)c1nncn1C
214185730	ZINC000337625360	ref	9.02	-37.12	1	290.407	2.386	1	2	6	CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1
214185734	ZINC000337625360	mid	9.08	-37.32	1	290.407	2.386	1	2	6	CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)cc1
214185737	ZINC000337625360	high	6.44	-9.04	0	290.407	2.386	0	3	6	CCOc1ccc(CN(C)C(=O)CN2CC[C@@H](C)C2)cc1
214185739	ZINC000337624932	ref	7.73	-8.42	0	287.403	3.314	1	2	4	C[C@]1(NC(=O)CC[C@H]2CCCO2)CCCc2ccccc21
214185742	ZINC000337626462	ref	-0.07	-23.31	0	281.374	-0.475	1	5	9	CC(C)CS(=O)(=O)CC(=O)N(C)CCOCCO
214185748	ZINC000337625237	ref	3.41	-11.19	0	285.347	2.071	2	3	4	O=C(NCc1nccc2ccccc12)NC[C@@H]1CCOC1
214185750	ZINC000337626733	ref	-2.87	-9.74	0	287.36	-0.842	3	5	5	C[C@](O)(CNC(=O)N[C@H]1CCOC1)CN1CCOCC1
214185753	ZINC000337626733	mid	-0.85	-44.48	1	287.36	-0.842	4	4	5	C[C@](O)(CNC(=O)N[C@H]1CCOC1)C[NH+]1CCOCC1
349534836	ZINC000093286835	ref	3.9	-44.08	1	294.403	0.923	3	4	3	Cn1cnc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1
349534843	ZINC000093261769	ref	2.46	-14.09	0	265.313	0.62	2	4	1	C[C@@H]1CCN(C(=O)Nc2cccn(C)c2=O)C[C@@H]1O
349534848	ZINC000093274063	ref	0.32	-11.4	0	262.317	0.419	1	6	4	Cc1nc(CN2CCN(Cc3c[nH]cn3)CC2)no1
365635413	ZINC000623067304	ref	5.12	-73.81	1	315.381	1.172	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C
365635416	ZINC000623067718	ref	2.9	-49.6	1	302.403	1.809	2	4	2	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc2cccnc2s1
349534854	ZINC000093274063	mid	-0.01	-10.48	0	262.317	0.419	1	6	4	Cc1nc(CN2CCN(Cc3cnc[nH]3)CC2)no1
349534859	ZINC000093274063	low	0.51	-39.15	1	262.317	0.419	1	5	4	Cc1nc(CN2CCN(Cc3c[nH+]c[nH]3)CC2)no1
349534861	ZINC000093274063	low	0.48	-38.98	1	262.317	0.419	1	5	4	Cc1nc(CN2CCN(Cc3c[nH]c[nH+]3)CC2)no1
365635423	ZINC000623067802	ref	4.14	-53.42	1	312.373	1.041	3	3	2	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2c(=O)[nH]1
365635426	ZINC000623067802	mid	3.08	-80.33	0	312.373	1.041	2	3	2	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2c(=O)[n-]1
365635432	ZINC000623067282	ref	2.7	-42.17	1	304.213	1.776	2	3	2	C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ncc(Br)s1
365635438	ZINC000623067612	ref	1.43	-68.04	1	311.407	1.291	2	3	3	C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
365635442	ZINC000623066582	ref	3.1	-39.89	1	304.213	1.633	2	3	2	C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ncc(Br)s1
365635447	ZINC000623067795	ref	2.9	-55.87	1	311.407	1.291	2	3	5	CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)[C@H](C[NH3+])C1CC1
365635452	ZINC000623066614	ref	0.25	-46.41	1	311.794	1.404	3	4	4	O=C(NC1(CCO)C[NH2+]C1)c1nc2cc(Cl)ccc2s1
398249199	ZINC000650873897	mid	4.02	-47.13	1	281.4	1.025	3	2	3	C[C@H](NC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1)C1CCCC1
398249203	ZINC000650873897	mid	4.09	-45.76	1	281.4	1.025	3	2	3	C[C@H](NC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1)C1CCCC1
365635457	ZINC000623066614	high	-1.42	-8.84	0	311.794	1.404	3	5	4	O=C(NC1(CCO)CNC1)c1nc2cc(Cl)ccc2s1
342079168	ZINC000600311942	mid	7.79	-42.59	1	282.384	1.178	2	3	5	CCOC(=O)C1(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1
192037660	ZINC000418461865	ref	5.08	-52.25	1	249.358	1.465	2	1	6	C[C@H](C[NH3+])CNC(=O)N(C)CCc1ccccc1
349534864	ZINC000093263602	ref	1.15	-13.82	0	267.333	0.894	3	4	3	CNC(=O)[C@@H](C)NC(=O)Nc1cnn(C(C)(C)C)c1
192037661	ZINC000418429411	ref	1.52	-43.62	1	215.297	0.851	2	2	4	CCC([NH3+])(CC)CNC(=O)N1CCCO1
365635420	ZINC000354707366	mid	6.28	-39.48	1	276.38	1.802	2	2	7	C[C@@H](CC[N@@H+](C)[C@@H]1CCNC1=O)OCc1ccccc1
365635425	ZINC000354707366	high	4.0	-9.54	0	276.38	1.802	1	3	7	C[C@@H](CCN(C)[C@@H]1CCNC1=O)OCc1ccccc1
365635431	ZINC000354706486	ref	-0.69	-8.74	0	284.36	1.321	3	5	7	Cc1noc(C(C)(C)NC(=O)NCCC[C@@H](C)CO)n1
365635437	ZINC000354706496	ref	4.12	-21.57	0	292.383	1.784	2	4	5	CC[C@@H]1CCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC)c1
282122591	ZINC000533470077	high	2.66	-7.23	0	283.416	1.271	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1
282122592	ZINC000533470424	ref	3.31	-9.49	0	281.356	1.539	2	4	4	CCc1cc(CNC(=O)N2CCC[C@@H]([C@@H](C)O)C2)on1
282122593	ZINC000533470060	ref	2.78	-10.01	0	272.389	1.46	2	3	5	CO[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)O)C1)C(C)C
365635443	ZINC000354707925	ref	5.72	-11.3	0	290.411	1.559	1	3	2	CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2nccn21
365635450	ZINC000354707925	mid	8.04	-86.13	2	290.411	1.559	1	3	2	CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCc2nccn21
365635455	ZINC000354707925	mid	8.53	-85.69	2	290.411	1.559	0	4	2	CC(C)[C@H]1CN(C)CCN1C(=O)[C@H]1CCCc2nccn21
365635459	ZINC000354707925	low	8.04	-86.13	2	290.411	1.559	1	2	2	CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21
365635464	ZINC000354707925	low	8.53	-85.69	2	290.411	1.559	1	2	2	CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21
365635469	ZINC000354707750	ref	0.4	-7.97	0	284.36	1.611	2	5	7	CCOC[C@@H](NC(=O)Nc1cn(C)nc1OC)C(C)C
365635478	ZINC000354707542	ref	4.51	-16.19	0	281.377	1.401	1	3	5	CCO[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)c1ccccc1
365635484	ZINC000354707917	ref	5.79	-11.37	0	290.411	1.559	1	3	2	CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2nccn21
342079169	ZINC000625301457	ref	2.38	-12.03	0	283.34	1.519	1	3	5	CC1(C)C[C@H](S(=O)(=O)NCC[C@H]2CC2(F)F)CO1
214185697	ZINC000053513778	ref	10.2	-42.92	1	349.478	3.638	3	1	4	O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@H]1CCc2ccccc21
282122594	ZINC000533471210	ref	4.51	-13.6	0	291.395	1.815	2	3	4	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccncc2)C1
299072218	ZINC000358088620	ref	4.15	-52.82	1	305.378	1.233	2	3	6	COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1
214185703	ZINC000053513778	high	7.84	-9.88	0	349.478	3.638	2	2	4	O=C(NC1CCN(Cc2ccccc2)CC1)N[C@H]1CCc2ccccc21
365635488	ZINC000354707917	mid	8.37	-92.42	2	290.411	1.559	1	3	2	CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCc2nccn21
178302263	ZINC000237220601	ref	3.87	-12.95	0	371.231	1.158	2	4	5	COC(=O)C[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1
178302268	ZINC000237220601	mid	3.87	-12.95	0	371.231	1.158	2	5	5	COC(=O)C[C@H](NC(=O)[C@@H]1CNCCO1)c1ccc(Br)cc1
178302271	ZINC000237219850	ref	5.65	-48.71	1	368.275	1.779	2	2	6	C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)c1ccc(Br)cc1
365635430	ZINC000172900246	ref	9.34	-16.22	0	281.312	1.961	0	6	4	COC(=O)[C@@H](Sc1nncn1C)c1ccccc1F
178302275	ZINC000237205797	ref	6.65	-50.99	1	365.437	1.787	2	5	9	COCC[NH2+]CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
185386264	ZINC000096752081	ref	-0.22	-12.54	0	321.358	1.126	3	6	6	COc1ccc(C(=O)Nc2nc(C(=O)NCCO)cs2)cc1
178302279	ZINC000237205797	high	5.31	-13.81	0	365.437	1.787	2	6	9	COCCNCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1
178302281	ZINC000237204625	ref	4.4	-53.59	1	361.421	1.768	2	5	6	CO[C@H](CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)c1ccc(F)cc1
365635439	ZINC000172894385	ref	0.14	-16.94	0	271.294	1.23	1	6	5	C[C@H](CO)S(=O)(=O)Cc1cc(-c2ccco2)on1
365635451	ZINC000172902356	ref	0.78	-19.16	0	299.327	1.674	1	6	5	Cc1cc(NCc2nc(CS(C)(=O)=O)no2)ccc1F
178302290	ZINC000237221682	ref	5.71	-49.6	1	355.232	1.779	2	3	5	COC(=O)C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1
365635461	ZINC000172894382	ref	0.14	-16.95	0	271.294	1.23	1	6	5	C[C@@H](CO)S(=O)(=O)Cc1cc(-c2ccco2)on1
185386265	ZINC000096752631	ref	6.4	-55.6	-1	309.362	2.006	1	5	9	CCCC[C@@H](NC(=O)Cc1ccc(OC)cc1OC)C(=O)[O-]
365635471	ZINC000172895111	ref	-0.05	-24.84	0	291.756	1.074	2	4	5	C[C@H](CO)S(=O)(=O)CC(=O)Nc1cccc(Cl)c1
178302295	ZINC000237209838	ref	6.09	-82.33	2	360.502	1.641	3	3	7	C[NH+]1CCN(CCOc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1
282122597	ZINC000449153502	ref	3.33	-10.97	0	283.331	2.09	2	4	3	COc1cccc2c1CC[C@@H]2NC(=O)c1ccc(N)cn1
282122600	ZINC000449154134	ref	5.14	-37.94	1	270.417	2.088	2	2	9	CCC[NH2+][C@H](C)C(=O)NCC1(CCOC)CCCC1
365635480	ZINC000172894682	ref	1.1	-21.78	0	285.365	1.118	2	4	5	Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)[C@@H](C)CO
365635492	ZINC000172904899	ref	2.77	-14.39	0	287.385	1.441	1	5	5	CCn1nc(C)c(NS(=O)(=O)C[C@H]2CCCO2)c1C
365635503	ZINC000172904899	mid	2.69	-49.34	-1	287.385	1.441	0	5	5	CCn1nc(C)c([N-]S(=O)(=O)C[C@H]2CCCO2)c1C
365635514	ZINC000341000739	ref	6.45	-15.17	0	290.323	1.935	1	6	6	COc1ccc(CNCc2ncc(C)n2C)cc1[N+](=O)[O-]
214185698	ZINC000293577833	ref	2.36	-14.26	0	362.438	0.484	2	8	7	CCn1nncc1C(=O)NC[C@@H](NC(=O)c1cnnn1CC)C(C)(C)C
342595926	ZINC000616974712	ref	8.03	-18.28	0	280.372	1.028	0	5	5	CC[C@H](C)N(CC)C(=O)Cn1nc2n(c1=O)CCCC2
342595927	ZINC000616973932	ref	3.74	-19.58	0	264.3	1.153	2	2	5	O=C(CCCc1ccc(F)cc1)N[C@@H]1CCNC1=O
349534838	ZINC000618813738	ref	5.88	-20.08	0	250.346	1.6	0	4	3	C[C@@H]1CCC[C@H](C(=O)N(C)Cc2cn(C)nn2)C1
190493734	ZINC000269432835	ref	6.81	-16.49	0	297.354	2.883	2	3	4	Cc1ccc2c(c1)CC[C@@H]2NC(=O)COc1ccccc1O
282122599	ZINC000533470057	ref	2.7	-9.67	0	272.389	1.46	2	3	5	CO[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)O)C1)C(C)C
342595928	ZINC000616973528	ref	4.03	-17.71	0	290.363	1.874	2	3	7	CCCCCOc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
349534841	ZINC000618814214	ref	7.07	-20.22	0	290.342	1.791	0	4	5	C[C@@H](Cc1cccc(F)c1)C(=O)N(C)Cc1cn(C)nn1
214185701	ZINC000293583911	ref	9.84	-14.42	0	354.414	0.807	1	6	2	Cn1cnc(NC(=O)C(=O)N2CCC(N3CCc4ccccc43)CC2)n1
214185705	ZINC000293576874	ref	5.6	-14.44	0	363.447	0.986	1	8	4	Cc1nnsc1CNC(=O)N1CCO[C@H](c2ccnc(N(C)C)n2)C1
282122601	ZINC000533471207	ref	4.38	-13.81	0	291.395	1.815	2	3	4	C[C@H](O)[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccncc2)C1
349534846	ZINC000618814076	ref	6.47	-18.98	0	264.373	1.99	0	4	4	C[C@H]1CCCC[C@H]1CC(=O)N(C)Cc1cn(C)nn1
342595929	ZINC000616974368	ref	4.76	-12.02	0	270.373	1.007	1	3	5	CC[C@@H](C)N(CC)C(=O)CN1CCCC[C@H](O)C1=O
365639456	ZINC000576611437	ref	6.51	-20.7	0	237.307	1.345	2	3	2	CC(C)n1[nH]cnc1=NC(=O)NC1(C)CCC1
214185710	ZINC000293581122	ref	2.42	-11.89	0	366.368	0.899	0	6	5	N#Cc1ccc(O[C@@H]2CCN(C(=O)[C@H]3COCCN3CC(F)F)C2)nc1
214185714	ZINC000293578745	ref	5.87	-19.9	0	369.349	0.11	1	7	5	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2cc(C(=O)OC)n(C)c2)C1
214190437	ZINC000278496321	ref	8.79	-39.53	1	312.413	3.271	1	3	5	C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CCCO1
214190440	ZINC000278496321	mid	8.49	-42.79	1	312.413	3.271	1	3	5	C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)CCCO1
214190443	ZINC000278496321	mid	6.51	-5.67	0	312.413	3.271	0	4	5	C[C@H]1CN(Cc2cncc(OCc3ccccc3)c2)CCCO1
214190445	ZINC000278494952	ref	7.41	-51.31	1	317.404	3.479	2	2	8	COc1ccc(CC[C@@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)cc1
214190449	ZINC000278494116	ref	2.68	-18.5	0	306.362	2.147	1	4	3	Cc1nc(F)ccc1CN[C@@H]1CS(=O)(=O)c2ccccc21
365635462	ZINC000623067611	ref	1.55	-68.74	1	311.407	1.291	2	3	3	C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Nc1ccc(S(C)(=O)=O)cc1
365635468	ZINC000623067720	ref	5.73	-48.83	1	303.41	1.897	2	3	3	C[NH2+]C1CCN(C(=O)Nc2cccnc2N2CCCC2)CC1
365635474	ZINC000623067272	ref	0.01	-52.65	1	304.35	1.065	4	3	5	CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365635477	ZINC000623067272	high	-1.91	-78.37	0	304.35	1.065	3	3	5	CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365635481	ZINC000623066648	ref	8.81	-80.81	0	319.413	1.0	1	4	4	Cc1cc(C)n2[n-]c(=NC(=O)N(C)CC[C@H]([NH3+])C(C)C)nc2n1
365635487	ZINC000623067460	ref	6.38	-53.29	1	314.389	1.463	1	4	8	CCn1cc(C(=O)C(=O)N(CCC[NH3+])Cc2ccccc2)cn1
365635493	ZINC000623066931	ref	3.58	-43.57	1	312.345	1.821	2	4	5	C[NH2+][C@@H](C)CNC(=O)c1nnc(-c2c(F)cccc2F)s1
365635499	ZINC000623067803	ref	3.73	-48.48	1	312.373	1.041	3	3	2	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2c(=O)[nH]1
365635506	ZINC000623067803	mid	2.67	-74.62	0	312.373	1.041	2	3	2	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1nc2ccccc2c(=O)[n-]1
365635509	ZINC000623066930	ref	3.57	-43.55	1	312.345	1.821	2	4	5	C[NH2+][C@H](C)CNC(=O)c1nnc(-c2c(F)cccc2F)s1
365635516	ZINC000623067117	ref	6.29	-46.9	1	318.421	1.324	1	4	4	CCn1cc(C(=O)C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1
365635520	ZINC000623067387	ref	2.48	-53.37	1	307.398	1.121	2	4	4	COCCn1cc(NC(=O)N2C[C@H]3[C@H]([NH3+])CCC[C@H]3C2)cn1
365635525	ZINC000623066763	ref	3.34	-56.04	1	315.377	1.887	4	3	5	C[NH2+][C@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
365635531	ZINC000623066763	high	2.26	-82.31	0	315.377	1.887	3	3	5	C[NH2+][C@H](C)CNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
365639197	ZINC000623071150	ref	4.4	-48.38	1	303.41	1.007	2	4	3	Cc1nc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)n(C)n1
282122603	ZINC000449153494	ref	5.49	-38.82	1	296.798	2.148	2	2	7	COc1ccc(CCNC(=O)[C@H](C)[NH2+]C2CC2)c(Cl)c1
282122607	ZINC000449153494	high	4.36	-10.56	0	296.798	2.148	2	3	7	COc1ccc(CCNC(=O)[C@H](C)NC2CC2)c(Cl)c1
282122609	ZINC000449153974	ref	4.56	-45.86	1	252.333	2.396	2	2	4	OC1(C[NH2+]Cc2ccncc2F)CCCCCC1
365639204	ZINC000623071297	ref	0.15	-68.01	1	320.393	1.309	2	4	3	COc1ccc(NC(=O)N2C[C@H](C[NH3+])C3(CCOCC3)C2)cn1
365639210	ZINC000623071672	ref	4.42	-51.44	1	304.394	1.832	2	3	2	[NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccccn2)CC1
262839560	ZINC000399583016	ref	2.95	-46.56	1	224.308	0.978	2	3	4	CC(C)[C@H](C(=O)Nc1ccnn1C)[C@H](C)[NH3+]
343993962	ZINC000079915658	low	10.83	-49.04	1	288.42	2.448	1	4	6	C[N@H+](CCSc1ccccc1)Cc1nnc2n1CCC2
343993964	ZINC000079915658	low	10.76	-48.38	1	288.42	2.448	1	4	6	C[N@@H+](CCSc1ccccc1)Cc1nnc2n1CCC2
365635463	ZINC000274359124	ref	4.95	-42.05	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C
365635467	ZINC000274359124	mid	4.65	-42.3	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C
282122604	ZINC000248975372	high	0.67	-9.28	0	312.435	1.14	1	4	5	C[C@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CO
342079170	ZINC000625301606	ref	2.78	-9.23	0	261.387	1.519	1	3	4	CC1CC(CNS(=O)(=O)[C@H]2COC(C)(C)C2)C1
178302267	ZINC000082802911	ref	3.1	-48.57	1	274.364	1.293	3	2	2	O=C(NC1CCC(O)CC1)[C@@H]1C[NH2+]Cc2ccccc21
178302270	ZINC000082802911	high	1.64	-10.03	0	274.364	1.293	3	3	2	O=C(NC1CCC(O)CC1)[C@@H]1CNCc2ccccc21
365635472	ZINC000274359124	low	4.9	-41.94	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C
398249201	ZINC000649443058	ref	5.16	-50.47	1	243.31	2.041	2	1	1	CN1Cc2cc(C3=CC[NH2+]CC3)ccc2NC1=O
342079171	ZINC000625302303	ref	0.99	-44.43	1	279.384	1.906	2	4	7	COc1cncc(C[NH2+][C@@H](CCO)C2CCCCC2)n1
365635476	ZINC000274359124	low	4.59	-41.91	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C
365635485	ZINC000274359506	ref	6.14	-51.07	1	252.293	1.388	2	2	2	C[NH+](C)[C@@H]1CCN(C(=O)Nc2cccc(F)n2)C1
365635490	ZINC000274359506	high	3.75	-18.0	0	252.293	1.388	1	3	2	CN(C)[C@@H]1CCN(C(=O)Nc2cccc(F)n2)C1
365635497	ZINC000274357664	ref	5.23	-9.2	0	265.265	1.087	0	6	5	COC(=O)C1(C(=O)OCc2cccc(OC)n2)CC1
342079172	ZINC000625302303	high	0.53	-6.42	0	279.384	1.906	2	5	7	COc1cncc(CN[C@@H](CCO)C2CCCCC2)n1
398249205	ZINC000649443076	ref	8.16	-44.53	1	229.348	3.586	1	1	1	Cc1cc2cc(C3=CC[NH2+]CC3)ccc2s1
365635502	ZINC000274359249	ref	2.06	-13.06	0	280.328	1.184	2	5	7	O=C(NCCCOC[C@H]1CCCO1)Nc1cncnc1
342079173	ZINC000625302750	ref	1.45	-13.75	0	292.383	1.222	1	5	6	COc1cncc(CN[C@H](C(=O)N2CCCC2)C(C)C)n1
192037662	ZINC000418463226	ref	-0.66	-52.44	1	227.308	-0.252	3	2	4	C[C@H](C[NH3+])CNC(=O)N1CC(O)(C2CC2)C1
365635512	ZINC000274359341	ref	9.65	-53.81	1	275.331	1.724	1	4	4	Fc1cncc(C[N@@H+]2CCC[C@H](Cn3cncn3)C2)c1
365635518	ZINC000274359341	mid	9.7	-54.53	1	275.331	1.724	1	4	4	Fc1cncc(C[N@H+]2CCC[C@H](Cn3cncn3)C2)c1
398249209	ZINC000650875232	ref	2.29	-13.18	0	281.4	1.766	3	2	5	C[C@@H]1CCCC[C@@H]1CCNC(=O)N[C@@H]1C[C@H](C(N)=O)C1
214185716	ZINC000053511339	ref	3.82	-12.93	0	339.411	1.698	1	4	7	COCCCNC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1
214185720	ZINC000053511339	low	6.04	-54.55	1	339.411	1.698	2	3	7	COCCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1
214185722	ZINC000053497378	ref	7.45	-35.56	1	333.339	4.109	1	2	8	CCC(CC)[NH2+]C[C@H](C)N(C)Cc1csc(Br)c1
299072219	ZINC000418191948	high	3.66	-43.67	1	292.427	1.666	2	2	6	C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@H](c1ccccc1)N(C)C
398249214	ZINC000650874745	ref	2.84	-11.25	0	297.355	1.089	2	5	5	COC[C@H]1C[C@@H](O)CN1C(=O)NCc1cc(C(C)C)no1
398249219	ZINC000650874463	ref	3.94	-13.32	0	270.373	1.356	2	3	4	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@H](C)C1CCCC1
214185723	ZINC000053500771	ref	2.24	-17.87	0	345.424	2.493	2	5	6	NC(=O)c1csc(C(=O)NCc2ccnc(OC3CCCC3)c2)c1
398249225	ZINC000650873705	ref	5.16	-16.69	0	281.4	1.733	2	2	5	CCN1C[C@@H](CNC(=O)N[C@@H](C)C2CCCC2)CC1=O
398249233	ZINC000650870823	ref	4.13	-10.53	0	284.4	1.602	2	3	3	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C
214185729	ZINC000053515521	ref	7.28	-19.76	0	339.457	2.506	0	4	5	C[C@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(S(C)(=O)=O)cc1
136229251	ZINC000232467049	ref	1.85	-7.35	0	215.274	1.92	0	5	4	c1coc(SCCC2OCCCO2)n1
136229252	ZINC000232468512	ref	3.78	-8.89	0	244.088	2.324	1	2	2	O=C(NC1CCC1)c1ccoc1Br
136229253	ZINC000184903386	ref	2.63	-9.43	0	210.277	0.547	1	2	3	C=C(C)C[C@@H](C)C(=O)N1CCNC(=O)C1
214185731	ZINC000053509261	ref	5.22	-15.24	0	336.395	3.312	1	4	3	O=C(NCc1ccncc1)N1CCC(c2nc3ccccc3o2)CC1
214185736	ZINC000053502206	ref	2.29	-32.53	0	328.357	1.383	2	7	4	Cc1nnnn1-c1cccc(NC(=O)c2cc(C(N)=O)cs2)c1
214185746	ZINC000053505653	ref	7.56	-14.96	0	325.438	1.472	1	6	9	CCCCn1c(SCC(=O)N(CC)C[C@H](C)C#N)n[nH]c1=O
214185751	ZINC000053493825	ref	4.31	-17.29	0	337.395	1.892	2	3	7	NC(=O)C1CCN(C(=O)NCCCCOc2ccc(F)cc2)CC1
214185759	ZINC000053502799	ref	2.83	-15.23	0	325.434	1.522	2	3	3	C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
214185763	ZINC000053502795	ref	2.58	-15.0	0	325.434	1.522	2	3	3	C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
214185769	ZINC000053503592	ref	7.07	-18.96	0	342.443	2.22	2	2	4	CN(C)C(=O)C1CCN(C(=O)NCCc2c[nH]c3ccccc23)CC1
214185733	ZINC000278485931	mid	9.75	-41.09	1	321.486	3.429	1	3	7	COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@H]2CCSC2)c1
214185735	ZINC000278486576	ref	5.66	-47.82	1	303.402	2.279	2	3	8	C#CCOc1ccc([C@H](C)[NH2+]CC2(O)CC(OCC)C2)cc1
214185738	ZINC000278485756	ref	7.95	-14.41	0	320.408	2.726	1	3	4	CC1(C)CC[C@H](C(=O)NC[C@H]2CCN(c3ccc(F)cc3)C2)O1
214185741	ZINC000278486191	ref	4.1	-45.24	-1	315.772	2.952	1	3	4	C[C@]1(CCCO)CCCN1C(=O)c1cc(F)c([O-])c(Cl)c1
214185744	ZINC000278486191	low	3.33	-9.51	0	315.772	2.952	2	3	4	C[C@]1(CCCO)CCCN1C(=O)c1cc(F)c(O)c(Cl)c1
214185745	ZINC000278486340	ref	6.4	-48.12	1	320.433	2.064	2	3	7	COCc1cccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1
214185747	ZINC000278486340	mid	6.37	-46.07	1	320.433	2.064	2	3	7	COCc1cccc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1
214185749	ZINC000278486340	high	4.18	-10.65	0	320.433	2.064	1	4	7	COCc1cccc(C(=O)NCCCN2CCCO[C@H](C)C2)c1
214185752	ZINC000278485098	ref	9.95	-7.98	0	318.446	3.056	1	6	6	C[C@@H](CCc1ccco1)Nc1cc(N2CCSCC2)ncn1
214185754	ZINC000278485098	low	10.43	-36.69	1	318.446	3.056	1	5	6	C[C@@H](CCc1ccco1)Nc1cc(N2CCSCC2)nc[nH+]1
214185757	ZINC000278485098	low	10.31	-35.37	1	318.446	3.056	1	5	6	C[C@@H](CCc1ccco1)Nc1cc(N2CCSCC2)[nH+]cn1
214185758	ZINC000278486143	ref	8.31	-10.91	0	320.392	3.38	1	3	3	C[C@H]1COCC[C@@H]1NC(=O)c1ccccc1-c1ccccc1C#N
365635466	ZINC000641602901	ref	4.5	-15.35	0	293.339	1.463	1	3	5	CN(Cc1c[nH]cn1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F
365635475	ZINC000641602901	mid	4.59	-16.07	0	293.339	1.463	1	3	5	CN(Cc1cnc[nH]1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F
199273048	ZINC000294962906	mid	10.19	-48.8	1	286.734	3.43	1	2	4	O=[N+]([O-])c1ccc(C[NH+]2CCC(CF)CC2)c(Cl)c1
214185761	ZINC000278486233	ref	2.92	-8.75	0	302.172	1.337	1	4	2	C[C@@H]1COCC[C@H]1NC(=O)c1cnn(C)c1Br
124847156	ZINC000186622199	ref	8.04	-15.39	0	251.37	2.783	0	2	4	CC(=O)CCCC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21
214185764	ZINC000278484803	ref	8.31	-46.82	1	301.434	2.716	3	1	6	C[C@H](CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1
214185767	ZINC000278484803	mid	8.32	-47.13	1	301.434	2.716	3	1	6	C[C@H](CC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1
214185770	ZINC000278484803	high	5.88	-8.13	0	301.434	2.716	2	2	6	C[C@H](CCN1CC[C@H](NC(=O)NC2CC2)C1)c1ccccc1
214185773	ZINC000278485621	ref	3.2	-13.24	0	321.421	1.788	2	4	5	COc1cc(CCO)ccc1NC1CCN(C(=O)N(C)C)CC1
365635483	ZINC000641602901	low	5.1	-43.07	1	293.339	1.463	1	2	5	CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F
365635486	ZINC000641602901	low	5.12	-42.63	1	293.339	1.463	1	2	5	CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F
365635494	ZINC000641602551	ref	6.36	-12.75	0	297.424	1.937	1	4	7	C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CCn1ccnc1
365635500	ZINC000641602551	low	6.88	-43.03	1	297.424	1.937	1	3	7	C=CC[C@H]1CCCC[C@H]1NS(=O)(=O)CCn1cc[nH+]c1
342595930	ZINC000616973459	ref	4.02	-18.05	0	260.337	1.357	2	2	4	CC(C)c1cccc(CC(=O)N[C@@H]2CCNC2=O)c1
282122605	ZINC000533470418	ref	3.76	-8.68	0	272.414	1.684	2	3	2	C[C@H](O)[C@H]1CCCN(C(=O)NC2CCSCC2)C1
282122608	ZINC000533470058	ref	2.69	-10.39	0	272.389	1.46	2	3	5	CO[C@H](CNC(=O)N1CCC[C@@H]([C@@H](C)O)C1)C(C)C
349534844	ZINC000051468215	ref	4.13	-42.9	1	241.36	1.305	2	3	5	CCc1nc(C)c(C(=O)NCC[NH+](C)C)s1
282122610	ZINC000533471316	ref	1.91	-17.45	0	299.415	1.094	3	3	4	C[C@H](O)[C@@H]1CCCN(C(=O)NCCC(=O)NC(C)(C)C)C1
282122613	ZINC000533470809	ref	2.29	-6.92	0	272.389	1.46	2	3	5	COC[C@H](NC(=O)N1CCC[C@H]([C@H](C)O)C1)C(C)C
365635507	ZINC000641602891	ref	4.42	-11.8	0	273.332	1.825	1	3	3	O=C(c1ccc(OC2CCC2)cc1)N1C[C@H]2C[C@@]2(O)C1
365635511	ZINC000641599886	ref	3.43	-10.19	0	298.346	1.753	1	5	2	CC1(C)CN(c2nccnc2C(N)=O)Cc2ccccc2O1
365635517	ZINC000641599516	ref	-1.75	-12.74	0	261.347	1.05	2	4	6	CCNS(=O)(=O)NCc1oc(C(C)C)nc1C
282122616	ZINC000533470970	ref	-0.58	-9.71	0	265.294	1.073	2	5	4	Cc1cnc(CNC(=O)c2ccc(C(N)=O)o2)s1
282122621	ZINC000533470426	ref	3.29	-9.56	0	281.356	1.539	2	4	4	CCc1cc(CNC(=O)N2CCC[C@H]([C@H](C)O)C2)on1
282122627	ZINC000533470059	ref	2.63	-10.0	0	272.389	1.46	2	3	5	CO[C@H](CNC(=O)N1CCC[C@H]([C@H](C)O)C1)C(C)C
365635522	ZINC000641602688	ref	0.95	-8.22	0	295.408	1.742	2	6	6	CCc1cc2c(N(CCO)C[C@@H](C)O)nc(C)nc2s1
282122631	ZINC000533470425	ref	3.47	-9.46	0	281.356	1.539	2	4	4	CCc1cc(CNC(=O)N2CCC[C@H]([C@@H](C)O)C2)on1
282122635	ZINC000533470900	ref	1.72	-8.46	0	258.362	1.214	2	3	4	COC(C)(C)CNC(=O)N1CCC[C@H]([C@H](C)O)C1
282122640	ZINC000533469826	ref	3.6	-8.66	0	296.411	1.89	2	3	2	C[C@H](O)[C@H]1CCCN(C(=O)N[C@@H]2CCOC3(CCC3)C2)C1
365635527	ZINC000641602553	ref	5.7	-12.33	0	259.375	1.333	0	4	7	CC[C@@H](C)N(CC)S(=O)(=O)CCn1ccnc1
282122646	ZINC000533471662	ref	3.48	-13.68	0	277.368	1.426	2	3	4	C[C@H](O)[C@@H]1CCCN(C(=O)NCCc2ccccn2)C1
365635532	ZINC000641602553	low	6.22	-41.55	1	259.375	1.333	0	3	7	CC[C@@H](C)N(CC)S(=O)(=O)CCn1cc[nH+]c1
342595931	ZINC000616973681	ref	2.87	-14.56	0	272.295	1.207	2	2	3	O=C(C[C@]12CCCC[C@H]1C2(F)F)N[C@@H]1CCNC1=O
365635495	ZINC000354707917	mid	7.87	-93.24	2	290.411	1.559	0	4	2	CC(C)[C@@H]1CN(C)CCN1C(=O)[C@H]1CCCc2nccn21
282122606	ZINC000248971992	ref	2.91	-13.11	0	311.403	1.779	1	4	4	COc1cccc2c1CC[C@@H]2NS(=O)(=O)[C@H]1CCO[C@H]1C
365635498	ZINC000354707917	low	8.37	-92.42	2	290.411	1.559	1	2	2	CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21
365635501	ZINC000354707917	low	7.87	-93.24	2	290.411	1.559	1	2	2	CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1CCCc2[nH+]ccn21
365635508	ZINC000354707573	ref	2.95	-7.48	0	294.439	1.776	3	2	3	C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1
365635510	ZINC000354707573	mid	5.48	-40.49	1	294.439	1.776	3	2	3	C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1
365635513	ZINC000354707573	high	2.95	-7.48	0	294.439	1.776	2	3	3	CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1
365635519	ZINC000354708430	ref	6.62	-40.21	1	266.385	1.641	1	2	3	C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]1CCCO1
365635523	ZINC000354708430	mid	7.31	-39.01	1	266.385	1.641	1	2	3	C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]1CCCO1
365635529	ZINC000354707372	ref	5.49	-9.88	0	293.294	1.575	1	4	3	COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H]1COc2ccc(F)cc21
365635533	ZINC000354707571	ref	2.8	-7.14	0	294.439	1.776	3	2	3	C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1
365635539	ZINC000354707571	mid	5.33	-39.91	1	294.439	1.776	3	2	3	C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1
365635543	ZINC000354707571	high	2.8	-7.14	0	294.439	1.776	2	3	3	CN1CC[C@](O)(CNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)C1
365635548	ZINC000354707543	ref	4.61	-23.56	0	281.377	1.401	1	3	5	CCO[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)c1ccccc1
365635550	ZINC000354706337	ref	4.72	-22.22	0	283.418	1.8	1	3	4	CSCc1ccc(C(=O)N[C@@H]2CC[S@@](=O)C2)cc1
365635556	ZINC000354705617	ref	6.31	-52.42	1	286.379	1.562	3	2	6	C[NH+](C)[C@@H](CNC(=O)Cc1ccc2n[nH]cc2c1)C1CC1
365635560	ZINC000354705842	ref	5.83	-38.86	1	254.374	1.283	2	2	7	C[C@@H]1CC=CC[C@H]1C(=O)NCCOCC[NH+](C)C
365635565	ZINC000354705842	high	3.38	-8.01	0	254.374	1.283	1	3	7	C[C@@H]1CC=CC[C@H]1C(=O)NCCOCCN(C)C
365635570	ZINC000354706372	ref	2.08	-14.74	0	259.737	1.204	2	4	7	CC[C@H](O)CCCNC(=O)Cn1cc(Cl)cn1
259308324	ZINC000187708669	ref	5.32	-8.96	0	247.338	3.465	2	2	3	Cc1cc(NC(=O)C[C@H]2CCC[C@@H]2C)ccc1O
365635573	ZINC000354706463	ref	6.1	-17.28	0	293.33	1.97	1	4	3	O=C(c1ccc[nH]1)N1CC(n2cc(-c3ccccc3)nn2)C1
365635515	ZINC000123130771	ref	2.47	-13.76	0	267.354	2.02	1	5	5	CC[C@](C)(C#N)NC(=O)c1sc(COC)nc1C
342600535	ZINC000616999831	mid	5.07	-38.87	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(C)CCOC2)C1
199273049	ZINC000181261239	high	6.16	-6.72	0	320.481	3.011	1	4	6	CCC(CC)n1nc(C)cc1C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C
365635526	ZINC000123253512	ref	6.89	-38.7	1	263.337	2.086	2	3	3	COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1
365635536	ZINC000123253512	mid	7.01	-35.51	1	263.337	2.086	2	3	3	COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2O)C1
365635540	ZINC000123253512	high	7.57	-31.91	0	263.337	2.086	1	3	3	COC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1
365635545	ZINC000123253512	high	7.77	-42.38	0	263.337	2.086	1	3	3	COC(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1
365635549	ZINC000123241690	ref	6.16	-40.63	1	286.379	2.347	2	4	4	Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)cn2)o1
365635557	ZINC000123241690	mid	3.78	-6.69	0	286.379	2.347	1	5	4	Cc1ccc(CNc2ccc(N3CCN(C)CC3)cn2)o1
365635562	ZINC000123241690	low	6.63	-86.48	2	286.379	2.347	2	3	4	Cc1ccc(CNc2ccc(N3CC[NH+](C)CC3)c[nH+]2)o1
365635568	ZINC000123271832	ref	4.42	-10.48	0	263.337	2.094	1	3	7	C=CCOc1ccc(C(=O)N(C)CC[C@H](C)O)cc1
365635576	ZINC000123212577	ref	4.42	-11.26	0	278.377	2.319	1	3	3	CC(C)(C)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1
365635586	ZINC000123223965	ref	5.95	-10.74	0	274.364	2.047	1	2	4	C[C@@H](C(=O)N1CCCC[C@@H]1CC(N)=O)c1ccccc1
365635599	ZINC000123142367	ref	5.13	-39.59	1	283.412	2.119	1	3	6	CCO[C@@H]1C[C@@H]([NH2+]C[C@]2(OC)CCOC2)C12CCCC2
365635604	ZINC000123218226	ref	5.94	-6.81	0	255.318	2.19	1	3	1	C[C@H]1CN(C(=O)Nc2ccc(F)cn2)CCS1
365635609	ZINC000123218158	ref	7.02	-37.67	1	264.291	2.022	1	1	2	C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O
197593295	ZINC000162803657	ref	6.69	-34.82	1	311.47	2.047	2	2	7	CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C
342079174	ZINC000625302750	mid	2.48	-44.74	1	292.383	1.222	1	4	6	COc1cncc(C[NH2+][C@H](C(=O)N2CCCC2)C(C)C)n1
342079175	ZINC000046542138	ref	3.31	-8.3	0	274.411	1.814	1	3	4	CC1CCN(S(=O)(=O)NCc2cccs2)CC1
342079176	ZINC000625303289	ref	7.81	-41.21	1	297.443	1.879	1	2	5	CCO[C@H](C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C)C1CC1
342079177	ZINC000625303289	mid	7.46	-38.92	1	297.443	1.879	1	2	5	CCO[C@H](C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C)C1CC1
342079178	ZINC000625303289	mid	6.52	-8.71	0	297.443	1.879	0	3	5	CCO[C@H](CN1CCN(C(=O)N(C)C)CC1(C)C)C1CC1
365635521	ZINC000274359341	mid	7.27	-10.48	0	275.331	1.724	0	5	4	Fc1cncc(CN2CCC[C@H](Cn3cncn3)C2)c1
178302280	ZINC000223770818	ref	1.79	-9.84	0	205.261	1.228	2	4	2	Cc1cc2nc(C)n(CCO)c2cc1N
365635528	ZINC000274359394	ref	3.83	-6.84	0	276.34	1.502	2	4	4	O=C(NCCC1CCCCC1)C(=O)Nc1cncnc1
178302283	ZINC000223770818	mid	2.23	-27.14	1	205.261	1.228	2	3	2	Cc1cc2[nH+]c(C)n(CCO)c2cc1N
214185756	ZINC000337625179	ref	5.27	-11.14	0	283.253	2.369	1	3	3	Cn1cccc1CNC(=O)c1ccncc1C(F)(F)F
365635534	ZINC000274359312	ref	4.62	-10.67	0	272.356	1.093	0	6	3	C[C@H](c1cnccn1)N1CCN(c2nccn2C)CC1
178302285	ZINC000051848018	ref	6.89	-42.28	1	245.37	3.11	2	1	3	Cc1cc2nc(CC[NH2+]C(C)(C)C)[nH]c2cc1C
365635538	ZINC000274359312	mid	5.03	-30.48	1	272.356	1.093	0	5	3	C[C@H](c1cnccn1)N1CCN(c2[nH+]ccn2C)CC1
365635542	ZINC000274359312	low	7.29	-90.05	2	272.356	1.093	1	4	3	C[C@H](c1cnccn1)[NH+]1CCN(c2[nH+]ccn2C)CC1
178302288	ZINC000051848018	low	7.32	-100.29	2	245.37	3.11	2	0	3	Cc1cc2[nH]c(CC[NH2+]C(C)(C)C)[nH+]c2cc1C
349534847	ZINC000594969943	ref	9.21	-12.0	0	286.335	2.749	1	5	6	CCn1ccc(NCC(C)=Cc2cccc([N+](=O)[O-])c2)n1
365635547	ZINC000274358270	ref	3.34	-9.71	0	252.318	1.802	2	4	5	COC(C)(C)C[C@@H](C)NC(=O)Nc1cncnc1
365635552	ZINC000274359461	ref	7.17	-7.78	0	298.346	1.772	1	4	4	CCN(Cc1ccccc1C)C(=O)C(=O)Nc1cncnc1
342079179	ZINC000625302723	ref	5.15	-11.95	0	284.285	1.907	1	3	5	Cn1cc(CC[N@H+](C)Cc2cc(F)c(F)c(F)c2)nn1
365635555	ZINC000274358357	ref	4.54	-43.91	1	263.345	1.472	3	3	4	C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cncnc1
178302296	ZINC000100510014	ref	3.93	-63.0	-1	219.244	2.28	1	3	0	Cc1cc2[nH]c(=NC(=O)[O-])n(C)c2cc1C
365635561	ZINC000274358357	mid	4.24	-44.57	1	263.345	1.472	3	3	4	C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cncnc1
178302299	ZINC000100510014	mid	7.01	-56.27	-1	219.244	2.28	1	4	1	Cc1cc2nc(NC(=O)[O-])n(C)c2cc1C
342079180	ZINC000625302723	mid	7.5	-55.89	1	284.285	1.907	1	3	5	Cn1cc(CC[N@@H+](C)Cc2cc(F)c(F)c(F)c2)nn1
342079181	ZINC000625302723	mid	5.15	-11.95	0	284.285	1.907	0	4	5	CN(CCc1cn(C)nn1)Cc1cc(F)c(F)c(F)c1
342079182	ZINC000625300818	ref	4.37	-41.95	1	289.301	1.961	2	2	5	CNC(=O)[C@H]([NH2+]Cc1cccnc1C(F)(F)F)C(C)C
342079183	ZINC000625300818	mid	3.73	-14.04	0	289.301	1.961	2	3	5	CNC(=O)[C@H](NCc1cccnc1C(F)(F)F)C(C)C
290622588	ZINC000492522145	ref	0.31	-12.11	0	286.287	2.153	3	5	4	COc1cccc(NC(=O)/C=C/c2cncc(O)c2)c1O
398249210	ZINC000649443170	ref	7.19	-43.2	1	213.28	3.118	1	1	1	Cc1cc2cccc(C3=CC[NH2+]CC3)c2o1
290622590	ZINC000492522145	high	1.07	-47.11	-1	286.287	2.153	2	5	4	COc1cccc(NC(=O)/C=C/c2cncc([O-])c2)c1O
342079184	ZINC000625302823	ref	5.64	-44.65	1	253.371	1.929	1	4	3	c1nnsc1C[N@@H+]1CCC[C@H]1C1CCOCC1
349534849	ZINC000621491221	ref	6.71	-9.56	0	294.37	3.02	1	2	3	COc1ccc(F)c(CNC(=O)N2C[C@H](C)[C@@H](C)[C@@H]2C)c1
349534853	ZINC000621492749	ref	6.76	-11.68	0	280.318	3.018	2	1	4	O=C(NCC[C@H]1CC1(F)F)N[C@@H]1CCc2ccccc21
299072220	ZINC000567662727	high	7.58	-10.41	0	254.337	2.282	2	3	4	c1ccc([C@@H](N[C@H]2C[C@@H]3C[C@@H]3C2)c2nnc[nH]2)cc1
214185760	ZINC000337626485	ref	7.95	-17.85	0	273.384	2.365	1	4	3	C[C@H]1CCCC[C@H]1CCN=c1ncnc2[nH]n(C)cc1-2
342079185	ZINC000625302823	mid	5.05	-44.47	1	253.371	1.929	1	4	3	c1nnsc1C[N@H+]1CCC[C@H]1C1CCOCC1
342079186	ZINC000625302823	high	3.57	-6.26	0	253.371	1.929	0	5	3	c1nnsc1CN1CCC[C@H]1C1CCOCC1
342079187	ZINC000077846661	ref	2.18	-8.29	0	296.342	1.596	3	3	4	Cc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C(C)C)cc1F
214185762	ZINC000337625844	ref	7.09	-7.42	0	273.38	2.244	2	3	7	CCC[C@H]1C[C@H]1NC(=O)c1ccc(NCC2CC2)nc1
349534858	ZINC000621492098	ref	7.77	-10.06	0	272.339	3.029	1	1	5	C=CC[C@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
349534863	ZINC000621493425	ref	6.88	-8.4	0	274.355	3.3	2	1	7	CCC[C@@H](NC(=O)NCC[C@H]1CC1(F)F)C1CCC1
214185765	ZINC000337627173	ref	6.34	-10.57	0	293.388	3.308	1	4	3	CSc1cc2c(cc1NC(=O)C1CCCC1)OCCO2
214185768	ZINC000337625288	ref	6.31	-44.1	1	284.444	2.116	2	2	7	CCCC[C@@H](C)C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1
214185771	ZINC000337625288	mid	6.64	-44.24	1	284.444	2.116	2	2	7	CCCC[C@@H](C)C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1
214185774	ZINC000337625287	ref	6.29	-44.16	1	284.444	2.116	2	2	7	CCCC[C@H](C)C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1
214185775	ZINC000337625287	mid	6.61	-44.43	1	284.444	2.116	2	2	7	CCCC[C@H](C)C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1
214185777	ZINC000337625550	ref	6.92	-11.0	0	286.322	3.478	1	2	3	Cc1ccc([C@H](C)NC(=O)N2CCCC[C@@H]2C(F)F)o1
214185782	ZINC000337626690	ref	-0.47	-14.54	0	284.36	-0.761	2	4	4	CCNC(=O)CN1CCN(C(=O)N[C@@H]2CCOC2)CC1
214185786	ZINC000337625313	ref	5.98	-9.84	0	293.338	2.389	1	3	6	CC(=O)CCC(=O)NC[C@@H]1CCO[C@H]1c1ccc(F)cc1
365635524	ZINC000341000739	low	7.81	-62.33	1	290.323	1.935	1	5	6	COc1ccc(C[NH2+]Cc2ncc(C)n2C)cc1[N+](=O)[O-]
365635530	ZINC000341000739	low	6.96	-42.03	1	290.323	1.935	1	5	6	COc1ccc(CNCc2[nH+]cc(C)n2C)cc1[N+](=O)[O-]
365635535	ZINC000172901636	ref	4.77	-12.12	0	289.379	1.635	2	3	6	Cc1ccc(C(=O)N(C)C)cc1NCC(=O)NCC1CC1
365635544	ZINC000172902767	ref	2.81	-10.66	0	294.351	1.162	3	5	8	CCOC(=O)CNc1ccc(C(=O)N[C@H](CC)CO)cc1
342595932	ZINC000616974418	ref	6.67	-10.71	0	294.399	1.965	0	5	7	CC[C@H](C)N(CC)C(=O)c1cn(CC2(CC)COC2)nn1
185088918	ZINC000096075911	ref	7.65	-46.64	1	295.386	2.545	1	2	2	CC[N@@H+]1CC[C@@]12CCN(C(=O)c1cnc3ccccc3c1)C2
349534850	ZINC000618814339	ref	5.41	-20.11	0	277.328	1.507	0	6	4	Cc1noc(C(C)C)c1C(=O)N(C)Cc1cn(C)nn1
190493746	ZINC000269432442	ref	3.21	-10.41	0	293.367	1.213	1	5	5	CC(C)c1ncncc1C(=O)N1CCC[C@@H](OCCO)C1
342595933	ZINC000616974492	ref	3.36	-16.4	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1C1CC1
342595934	ZINC000616973437	ref	3.87	-16.32	0	298.795	1.827	2	3	5	O=C(CCSc1ccc(Cl)cc1)N[C@@H]1CCNC1=O
365635553	ZINC000172899373	ref	3.0	-12.25	0	295.77	1.638	3	3	6	CNC(=O)c1ccc(Cl)c(NCC(=O)NCC2CC2)c1
365635558	ZINC000172900655	ref	7.84	-18.36	0	291.38	1.36	0	6	3	Cc1cc(N2CC[C@H](Sc3nccn3C)C2=O)n(C)n1
342595935	ZINC000616974732	ref	3.17	-17.26	0	266.728	1.448	2	2	3	C[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccc(Cl)cc1
342595936	ZINC000616974711	ref	7.91	-18.18	0	280.372	1.028	0	5	5	CC[C@@H](C)N(CC)C(=O)Cn1nc2n(c1=O)CCCC2
349534857	ZINC000618812774	ref	7.13	-21.54	0	272.352	1.633	0	4	4	Cc1ccc(CC(=O)N(C)Cc2cn(C)nn2)cc1C
349534862	ZINC000618812808	ref	5.47	-12.05	0	282.706	1.88	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1cc(Cl)ccc1F
365635566	ZINC000565313157	ref	4.26	-12.71	0	299.327	1.274	1	7	10	COCCOCCNc1ccc([N+](=O)[O-])c(OC(C)C)n1
365635574	ZINC000565313094	ref	7.07	-43.49	1	293.374	1.856	2	4	4	C[N@H+](Cc1ccccc1)C1CN(c2ccc(C#N)c(N)n2)C1
365635580	ZINC000565313094	mid	7.08	-43.43	1	293.374	1.856	2	4	4	C[N@@H+](Cc1ccccc1)C1CN(c2ccc(C#N)c(N)n2)C1
365635584	ZINC000565313094	high	4.54	-6.04	0	293.374	1.856	1	5	4	CN(Cc1ccccc1)C1CN(c2ccc(C#N)c(N)n2)C1
365635590	ZINC000172901031	ref	3.91	-11.26	0	251.307	1.631	0	3	2	O=C1c2ccccc2S(=O)(=O)N1CC1CCC1
365635597	ZINC000172893622	ref	0.98	-23.04	0	285.365	1.038	2	4	5	Cc1ccc(NC(=O)CS(=O)(=O)[C@H](C)CO)c(C)c1
398249212	ZINC000651462758	ref	10.93	-9.74	0	281.363	3.021	1	5	5	CCc1cccc(CNc2ncnc3c2ncn3CC)c1
361823805	ZINC000629300549	ref	5.88	-45.0	-1	289.397	1.692	0	4	5	CC(C)C1(S(=O)(=O)N2CCC[C@H](CC(=O)[O-])C2)CC1
361823811	ZINC000629301073	ref	7.18	-39.07	-1	298.383	1.935	0	4	4	C[C@H]1CN(C(=O)N(CCC(=O)[O-])C2CCCC2)C[C@@H](C)O1
282952184	ZINC000375688655	ref	9.29	-39.63	1	263.356	3.258	1	1	4	FCCCC[NH+]1CCC2(CC1)OCc1ccccc12
361823815	ZINC000629302533	ref	3.7	-45.66	-1	265.375	1.451	1	4	7	CCC(C)(C)CS(=O)(=O)N[C@H](C)[C@H](C)C(=O)[O-]
342079188	ZINC000625301694	ref	5.31	-42.75	1	282.359	1.873	2	2	7	CNC(=O)[C@@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)C(C)C
342079189	ZINC000625301694	high	3.93	-8.12	0	282.359	1.873	2	3	7	CNC(=O)[C@@H](NC[C@H](OC)c1ccc(F)cc1)C(C)C
178302298	ZINC000082802912	ref	3.1	-47.45	1	274.364	1.293	3	2	2	O=C(NC1CCC(O)CC1)[C@H]1C[NH2+]Cc2ccccc21
361823816	ZINC000156626528	ref	6.25	-54.92	1	257.399	1.689	1	2	6	CC#CCC[N@@H+](CCCC)[C@@H]1CCS(=O)(=O)C1
178302302	ZINC000082802912	high	1.6	-9.61	0	274.364	1.293	3	3	2	O=C(NC1CCC(O)CC1)[C@H]1CNCc2ccccc21
214185772	ZINC000053517823	ref	4.55	-16.1	0	329.404	1.448	1	5	5	Cc1cc(CN2CCN(C(=O)NCCc3ccccn3)CC2)no1
178302303	ZINC000082799052	ref	3.58	-45.06	1	253.433	1.541	1	3	8	CC[NH2+][C@@H](C)C[C@@H](C)SCCS(C)(=O)=O
342600536	ZINC000616999944	ref	4.56	-7.98	0	258.299	1.506	0	6	4	CO[C@H]1CN(c2sccc2[N+](=O)[O-])C[C@H]1OC
342600537	ZINC000616999774	ref	3.52	-41.96	1	283.416	1.269	3	2	7	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCCCC(N)=O)C1
342600538	ZINC000616999774	mid	3.57	-42.17	1	283.416	1.269	3	2	7	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCCC(N)=O)C1
342600539	ZINC000616999791	ref	5.42	-41.98	1	281.425	1.922	2	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cncs2)C1
361823818	ZINC000156626528	mid	3.94	-11.12	0	257.399	1.689	1	2	6	CC#CCC[N@H+](CCCC)[C@@H]1CCS(=O)(=O)C1
361823821	ZINC000156626528	mid	3.94	-11.12	0	257.399	1.689	0	3	6	CC#CCCN(CCCC)[C@@H]1CCS(=O)(=O)C1
361823823	ZINC000629300551	ref	6.17	-55.75	-1	289.397	1.692	0	4	5	CC(C)C1(S(=O)(=O)N2CCC[C@@H](CC(=O)[O-])C2)CC1
361823825	ZINC000629300698	ref	5.02	-53.51	-1	263.359	1.157	0	4	6	CC(C)C1(S(=O)(=O)N(C)C[C@@H](C)C(=O)[O-])CC1
361823828	ZINC000439651091	ref	4.84	-11.22	0	270.292	1.415	0	6	6	COCCn1ccc(C(=O)C(C#N)c2ccccn2)n1
361823831	ZINC000439651091	high	4.5	-47.03	-1	270.292	1.415	0	6	5	COCCn1ccc(C([O-])=C(C#N)c2ccccn2)n1
361823834	ZINC000629301195	ref	4.24	-56.93	-1	297.384	1.615	0	6	4	Cc1cc([N-]S(=O)(=O)c2cnc(C)n2C)nn1C(C)C
365635537	ZINC000641600019	ref	5.44	-10.91	0	275.373	1.859	1	3	1	O=C([C@@H]1CCSc2ccccc21)N1C[C@H]2C[C@@]2(O)C1
290622592	ZINC000356767370	ref	6.89	-13.11	0	274.751	3.417	1	2	2	C[C@H]1CC[C@@H]1NC(=O)c1ccc(Cl)c2cccnc12
290622598	ZINC000343947591	ref	5.95	-7.56	0	283.375	2.829	1	3	3	C[C@H]1CC[C@@H]1NC(=O)c1cc(N(C)C)c2ccccc2n1
365635541	ZINC000641602730	ref	2.21	-11.98	0	297.318	1.962	0	7	3	COc1ccc(-c2nnc(N3CCn4cncc4C3)o2)cc1
365635546	ZINC000641602730	low	2.74	-41.3	1	297.318	1.962	0	6	3	COc1ccc(-c2nnc(N3CCn4c[nH+]cc4C3)o2)cc1
365635551	ZINC000641602781	ref	3.95	-6.12	0	260.341	1.592	1	4	3	CC1(C2CC2)CCN(c2cc(C(N)=O)ncn2)CC1
365635554	ZINC000641602816	ref	6.22	-9.07	0	269.344	1.484	1	2	1	O=C([C@@H]1C[C@]12CCc1ccccc12)N1C[C@@H]2C[C@]2(O)C1
365635559	ZINC000641599694	ref	0.27	-10.12	0	259.309	1.157	3	5	6	OCc1ccnc(NC[C@H](CO)c2cccnc2)c1
365635564	ZINC000641599694	low	0.75	-32.02	1	259.309	1.157	3	4	6	OCc1cc[nH+]c(NC[C@H](CO)c2cccnc2)c1
365635569	ZINC000641601908	ref	3.41	-12.18	0	261.387	1.756	0	3	5	CC[C@H](C)N(CC)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1O2
282122614	ZINC000248975325	ref	2.87	-9.04	0	309.309	1.495	1	3	3	C[C@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)[C@H]1CO
282122622	ZINC000248976141	ref	1.42	-35.74	1	307.419	1.769	2	6	7	C[C@@H](O)CN(Cc1csc(-c2ccccn2)n1)[C@H](C)CO
214185776	ZINC000278486378	ref	5.31	-12.43	0	305.407	1.584	1	6	3	Cc1nscc1C(=O)N[C@@H]1CCCN(c2ccnn2C)C1
214185778	ZINC000278485678	ref	6.46	-16.41	0	324.808	2.938	1	3	3	CN(C)C(=O)c1cc(NC(=O)[C@@H]2CCC(C)(C)O2)ccc1Cl
190493749	ZINC000269432294	ref	4.33	-15.68	0	278.377	2.243	1	4	3	CN(C(=O)c1cc(C#N)cs1)C1CCC(CO)CC1
282122628	ZINC000248976141	mid	1.47	-32.01	1	307.419	1.769	3	5	7	C[C@@H](O)C[N@H+](Cc1csc(-c2ccccn2)n1)[C@H](C)CO
282122630	ZINC000248976141	mid	1.42	-35.74	1	307.419	1.769	3	5	7	C[C@@H](O)C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@H](C)CO
282122634	ZINC000248975857	ref	5.65	-11.11	0	322.405	1.729	1	4	3	C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)[C@H]1CCCOC1)C2=O
365635572	ZINC000641599777	ref	1.96	-8.91	0	252.343	1.131	2	5	4	NC(=O)c1nccnc1NC[C@@H]1CCCSC1
365635577	ZINC000641599480	ref	5.41	-11.1	0	262.357	1.528	1	4	4	CC(=O)NCC[C@@H]1CCCN(c2ncncc2C)C1
282122641	ZINC000248972001	ref	0.19	-10.3	0	312.435	1.411	3	5	8	CSc1ccc(NC(=O)CN(C[C@H](C)O)[C@H](C)CO)cc1
365635581	ZINC000641602896	ref	3.99	-13.01	0	279.312	1.217	1	3	5	CN(Cc1c[nH]cn1)S(=O)(=O)C[C@]1(C)CC1(F)F
365635563	ZINC000274358357	high	2.04	-10.8	0	263.345	1.472	2	4	4	C[C@H]1CCCCN1CCNC(=O)Nc1cncnc1
365635567	ZINC000274358936	ref	3.26	-16.61	0	290.319	1.697	2	4	3	COc1cc2c(cc1NC(=O)[C@H]1CCCO1)NC(=O)CC2
365635571	ZINC000274360170	ref	4.62	-6.88	0	290.367	1.892	2	4	5	O=C(NCCCC1CCCCC1)C(=O)Nc1cncnc1
185088920	ZINC000096075911	mid	7.67	-48.13	1	295.386	2.545	1	2	2	CC[N@H+]1CC[C@@]12CCN(C(=O)c1cnc3ccccc3c1)C2
185088922	ZINC000096075911	mid	4.54	-12.21	0	295.386	2.545	0	3	2	CCN1CC[C@@]12CCN(C(=O)c1cnc3ccccc3c1)C2
178302300	ZINC000237209838	mid	3.73	-44.24	1	360.502	1.641	2	4	7	CN1CCN(CCOc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1
178302304	ZINC000237209838	mid	6.02	-82.51	2	360.502	1.641	3	3	7	CN1CC[NH+](CCOc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1
365635575	ZINC000274360191	ref	6.34	-78.05	2	277.412	1.919	2	2	5	Cc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc[nH+]1
178302306	ZINC000237201979	ref	3.95	-47.77	1	353.488	1.445	2	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)C)cc2)C1
178302310	ZINC000237201971	ref	5.86	-64.4	1	359.47	1.99	2	3	5	COc1ccc(C)cc1N1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1=O
365635579	ZINC000274358355	ref	4.23	-44.65	1	263.345	1.472	3	3	4	C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cncnc1
365635582	ZINC000274358355	mid	4.54	-43.97	1	263.345	1.472	3	3	4	C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cncnc1
365635587	ZINC000274358355	high	2.36	-10.57	0	263.345	1.472	2	4	4	C[C@@H]1CCCCN1CCNC(=O)Nc1cncnc1
365635593	ZINC000274359318	ref	4.77	-11.63	0	272.356	1.093	0	6	3	C[C@@H](c1cnccn1)N1CCN(c2nccn2C)CC1
365635595	ZINC000274359318	mid	5.18	-30.19	1	272.356	1.093	0	5	3	C[C@@H](c1cnccn1)N1CCN(c2[nH+]ccn2C)CC1
282122619	ZINC000449153974	high	3.75	-4.57	0	252.333	2.396	2	3	4	OC1(CNCc2ccncc2F)CCCCCC1
282122623	ZINC000449153368	ref	7.8	-37.17	1	272.392	2.317	1	1	4	C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@@](C)(c2ccccc2)C1
282122629	ZINC000449153368	high	6.75	-9.97	0	272.392	2.317	1	2	4	C[C@@H](NC1CC1)C(=O)N1CC[C@@](C)(c2ccccc2)C1
365635596	ZINC000274359318	low	7.29	-90.05	2	272.356	1.093	1	4	3	C[C@@H](c1cnccn1)[NH+]1CCN(c2[nH+]ccn2C)CC1
259308326	ZINC000322971505	ref	3.74	-55.4	1	248.326	1.961	2	2	4	Cc1cc(C[NH3+])cc(NC(=O)C[C@H]2CCCO2)c1
365635601	ZINC000274357682	ref	4.65	-9.43	0	277.364	1.536	1	3	4	Cc1ccccc1CC(=O)N1CCOC[C@@H]1C[C@@H](C)O
398249213	ZINC000649443120	ref	5.81	-49.81	1	242.244	2.786	1	1	1	Cc1cc(C(F)(F)F)ncc1C1=CC[NH2+]CC1
282122620	ZINC000151668093	mid	3.11	-47.4	1	317.389	2.268	2	5	8	COc1cc([C@H](C)[NH2+][C@H](C)c2cnccn2)ccc1OCCO
282122625	ZINC000151664329	ref	6.38	-16.75	0	316.401	2.008	1	3	6	CCN(C(=O)CCC(C)(C)c1ccccc1)[C@@H]1CC(=O)NC1=O
398249217	ZINC000649443265	ref	5.83	-8.0	0	240.302	3.089	1	2	2	Cc1ccc(-c2ccc3c(c2)CCO3)cc1CO
214185779	ZINC000053507818	ref	4.01	-18.56	0	346.836	1.547	1	4	5	CN(CCOc1ccc(Cl)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1
398249221	ZINC000649443254	ref	5.74	-6.95	0	240.302	3.089	1	2	2	Cc1cc(CO)ccc1-c1ccc2c(c1)CCO2
282122636	ZINC000151673519	ref	6.47	-13.74	0	314.426	2.175	1	4	6	CC(C)CNC(=O)CN(C[C@@H]1CCCO1)C(=O)OC(C)(C)C
282122647	ZINC000151681319	ref	6.78	-14.98	0	324.38	2.045	2	4	7	C[C@H](NC(=O)COc1ccc(C#N)cc1)[C@H](O)Cc1ccccc1
365635578	ZINC000354705711	ref	8.0	-101.08	2	299.484	1.272	3	2	5	CC1CC[NH+](CC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1
342079190	ZINC000625300069	ref	2.54	-39.93	1	293.407	1.756	4	3	9	OCCC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccccc1
398249224	ZINC000649443244	ref	5.85	-6.79	0	240.302	2.823	1	2	3	OCCc1cccc(-c2ccc3c(c2)CCO3)c1
299072221	ZINC000358088620	high	3.24	-15.57	0	305.378	1.233	2	4	6	COc1cccc(NC(=O)C[C@@H](C)N[C@@H]2CC(=O)N(C)C2)c1
398249228	ZINC000649443135	ref	7.39	-36.85	1	200.241	2.022	0	3	1	Cn1cncc1-c1ccc2c(c1)CCO2
398249230	ZINC000649443135	low	7.39	-36.85	1	200.241	2.022	0	2	1	Cn1c[nH+]cc1-c1ccc2c(c1)CCO2
398249235	ZINC000649443102	ref	3.86	-6.34	0	233.292	2.754	0	4	2	COc1cc(-c2ccc3c(c2)CCO3)sn1
323004547	ZINC000150983668	ref	8.22	-14.88	0	222.292	1.58	1	4	2	C[C@H]1CCC[C@H](C(=O)Nc2ncnn2C)C1
214185790	ZINC000053501299	ref	5.48	-18.75	0	330.453	3.117	2	3	5	CC(C)(C)c1ccc(CCNC(=O)c2cc(C(N)=O)cs2)cc1
342079191	ZINC000625300069	high	1.55	-5.83	0	293.407	1.756	4	4	9	OCCC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccccc1
342079192	ZINC000625301119	ref	4.16	-10.42	0	298.427	1.419	1	3	7	CC(C)[C@H]([NH2+]CCOC1CCOCC1)C(=O)N1CCCC1
342079193	ZINC000625301119	high	4.16	-10.42	0	298.427	1.419	1	4	7	CC(C)[C@H](NCCOC1CCOCC1)C(=O)N1CCCC1
342079194	ZINC000625302649	ref	4.71	-8.97	0	254.374	1.402	2	2	6	CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC)C1)C1CC1
342079195	ZINC000625302649	mid	7.76	-44.69	1	254.374	1.402	2	2	6	CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)C1CC1
178302305	ZINC000045206643	ref	7.34	-41.3	1	231.343	2.688	1	2	3	Cc1cc2nc(C[NH2+]C(C)C)n(C)c2cc1C
282122626	ZINC000336872270	ref	5.94	-61.96	-1	344.389	2.301	1	7	8	CCC(CC)(CNc1cccc(S(C)(=O)=O)c1[N+](=O)[O-])C(=O)[O-]
199273050	ZINC000294962962	ref	6.79	-7.99	0	285.391	3.406	1	4	4	Cc1nn(C)cc1[C@H](C)Nc1ccc([C@@H]2CCOC2)cc1
214185780	ZINC000278485457	ref	6.61	-13.84	0	318.324	2.908	0	6	5	Cc1ccc(-n2nnnc2SCOCC(F)(F)F)cc1C
342079196	ZINC000625302649	high	4.71	-8.97	0	254.374	1.402	1	3	6	CCO[C@@H](C(=O)N[C@@H]1CCCN(CC)C1)C1CC1
349534851	ZINC000594970030	ref	5.62	-48.67	1	298.477	2.8	1	3	5	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2scnc2C2CC2)C1
361823836	ZINC000629302532	ref	3.79	-44.31	-1	265.375	1.451	1	4	7	CCC(C)(C)CS(=O)(=O)N[C@@H](C)[C@@H](C)C(=O)[O-]
199273053	ZINC000294964505	ref	5.15	-10.15	0	273.332	1.855	1	3	6	C#CCCOc1ccc(C(=O)NCC2(C)COC2)cc1
214185784	ZINC000278486022	ref	8.35	-106.28	2	324.266	2.808	2	1	5	Brc1cncc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1
214185785	ZINC000278486022	high	7.12	-33.05	1	324.266	2.808	2	2	5	Brc1cncc(CNCC2CC[NH+](C3CC3)CC2)c1
214185788	ZINC000278486657	ref	1.22	-13.28	0	313.35	1.656	2	6	9	COC[C@@H](C)OC[C@H](O)COc1ccc(NC(=O)OC)cc1
214185791	ZINC000278485923	ref	2.5	-17.31	0	317.158	1.86	2	2	6	NC(=O)CCCC(=O)NCc1ccc(F)cc1Br
214185793	ZINC000278486708	ref	1.57	-17.85	0	317.769	1.23	2	5	9	COC[C@H](C)OC[C@H](O)COc1ccc(Cl)cc1C(N)=O
214185796	ZINC000278486023	ref	4.55	-44.93	1	313.467	3.191	2	4	6	Cc1csc(C(C)(C)[NH2+]CCCNC(=O)OC(C)(C)C)n1
214185798	ZINC000278486023	high	3.35	-8.02	0	313.467	3.191	2	5	6	Cc1csc(C(C)(C)NCCCNC(=O)OC(C)(C)C)n1
214185801	ZINC000278485540	ref	5.93	-46.14	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)c1
214185803	ZINC000278485540	mid	5.57	-46.85	1	309.385	2.053	3	2	3	Cc1cc(F)cc(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c1
214185804	ZINC000278485540	mid	3.42	-9.62	0	309.385	2.053	2	3	3	Cc1cc(F)cc(NC(=O)N2CCN(C[C@H](C)O)C[C@@H]2C)c1
214185806	ZINC000278485103	ref	7.69	-14.89	0	302.296	2.882	0	3	3	O=C(COc1ccnc(C(F)(F)F)c1)N1CCCCCC1
214185809	ZINC000278486352	ref	0.67	-18.58	0	312.276	1.885	1	6	5	O=C(NCc1ccco1)[C@@H]1CCCN1c1nnc(C(F)F)o1
214185816	ZINC000278486458	ref	7.87	-13.49	0	315.373	2.889	1	5	5	CC[C@@]1(C)Oc2ccc(NC(=O)CCc3cncn3C)cc2O1
214185819	ZINC000278486458	low	8.37	-41.66	1	315.373	2.889	1	4	5	CC[C@@]1(C)Oc2ccc(NC(=O)CCc3c[nH+]cn3C)cc2O1
214185789	ZINC000337628030	ref	1.48	-19.31	0	292.357	-0.232	1	5	5	COC(=O)CCCNC(=O)N1CC[C@H](S(C)(=O)=O)C1
214185792	ZINC000337624997	ref	1.78	-11.57	0	291.367	0.823	3	3	10	CC(C)COCCCNC(=O)N[C@@H](C)C(=O)NCCF
214185795	ZINC000337625792	ref	0.93	-17.39	0	274.361	0.006	2	4	10	CC(C)CC(=O)NCCC(=O)N(C)CCOCCO
214185799	ZINC000337627284	ref	4.97	-11.66	0	289.339	0.665	1	6	6	COCCn1ccc(NC(=O)c2ccnc(N(C)C)c2)n1
185088925	ZINC000096078140	ref	4.68	-42.99	1	297.349	1.611	2	3	3	OCC[N@@H+]1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1
214185802	ZINC000337625544	ref	8.31	-11.07	0	298.342	3.197	1	4	4	Cc1ccc(CC[C@@H](C)n2c(=O)[nH]c3ccccc3c2=O)o1
185088927	ZINC000096078140	mid	4.65	-40.98	1	297.349	1.611	2	3	3	OCC[N@H+]1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1
214185805	ZINC000337624713	ref	6.42	-10.09	0	262.353	2.179	1	2	4	CCc1ccc(CN(C)C(=O)N[C@H]2CCOC2)cc1
290622593	ZINC000492522573	ref	7.84	-6.05	0	267.76	2.388	0	3	4	CN(Cc1ncc(Cl)n1C)C(=O)/C=C/C1CCC1
290622595	ZINC000492523750	ref	4.46	-10.28	0	263.362	2.417	2	3	4	O=C(/C=C\c1ccc(O)cc1)NC[C@H]1CCCS1
290622597	ZINC000492523088	ref	2.54	-11.37	0	290.363	2.122	2	4	5	CC[C@H](NC(=O)/C=C\c1cncc(O)c1)C1CCOCC1
290622599	ZINC000492523088	high	3.29	-54.41	-1	290.363	2.122	1	4	5	CC[C@H](NC(=O)/C=C\c1cncc([O-])c1)C1CCOCC1
343993963	ZINC000599269058	ref	7.1	-50.07	1	259.353	1.825	2	2	6	CCC[N@H+](CC(=O)NC)Cc1ccc(C)c(C#N)c1
214185820	ZINC000337625624	ref	0.38	-11.82	0	286.294	0.336	1	4	8	C[C@H](C(=O)N(C)CCOCCO)N(C)CC(F)(F)F
178302307	ZINC000082798618	ref	2.32	-42.76	1	251.392	1.214	1	3	9	CC[NH2+][C@H](C)C[C@H](C)S(=O)(=O)CCCOC
214185824	ZINC000337626557	ref	7.25	-43.47	1	289.423	2.159	3	1	6	Cc1cc(C)c(CCNC(=O)NCC[NH+]2CCC2)c(C)c1
342079197	ZINC000625301167	ref	3.47	-17.96	0	283.328	1.477	2	3	5	Cc1ccc(CS(=O)(=O)NCc2c[nH]cn2)c(F)c1
349534852	ZINC000051468215	high	1.67	-7.7	0	241.36	1.305	1	4	5	CCc1nc(C)c(C(=O)NCCN(C)C)s1
214185827	ZINC000337626557	mid	4.07	-11.14	0	289.423	2.159	2	2	6	Cc1cc(C)c(CCNC(=O)NCCN2CCC2)c(C)c1
214185830	ZINC000337628021	ref	3.57	-12.79	0	286.326	2.343	3	2	4	Cc1n[nH]cc1CNC(=O)NCC1CCC(F)(F)CC1
214185832	ZINC000337628021	mid	3.53	-12.55	0	286.326	2.343	3	2	4	Cc1[nH]ncc1CNC(=O)NCC1CCC(F)(F)CC1
342079198	ZINC000625301167	mid	3.98	-48.04	1	283.328	1.477	2	3	5	Cc1ccc(CS(=O)(=O)NCc2cnc[nH]2)c(F)c1
342079199	ZINC000625301167	low	3.96	-48.18	1	283.328	1.477	2	2	5	Cc1ccc(CS(=O)(=O)NCc2c[nH+]c[nH]2)c(F)c1
365635583	ZINC000354705711	mid	5.83	-43.97	1	299.484	1.272	2	3	5	CC1CCN(CC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1
365635588	ZINC000354705711	high	3.65	-6.7	0	299.484	1.272	1	4	5	CC1CCN(CC(=O)NC[C@@]2(N(C)C)CCSC2)CC1
178302308	ZINC000045206643	high	6.13	-7.7	0	231.343	2.688	1	3	3	Cc1cc2nc(CNC(C)C)n(C)c2cc1C
365635591	ZINC000354708112	ref	3.15	-24.14	0	280.393	1.434	2	3	5	Cc1ccccc1NCCC(=O)N[C@H]1CC[S@](=O)C1
365635594	ZINC000354707378	ref	3.86	-9.5	0	276.38	1.802	2	2	7	C[C@@H](CC[N@H+](C)[C@H]1CCNC1=O)OCc1ccccc1
365635598	ZINC000354707378	mid	6.38	-40.05	1	276.38	1.802	2	2	7	C[C@@H](CC[N@@H+](C)[C@H]1CCNC1=O)OCc1ccccc1
365635600	ZINC000354707378	high	3.86	-9.5	0	276.38	1.802	1	3	7	C[C@@H](CCN(C)[C@H]1CCNC1=O)OCc1ccccc1
178302314	ZINC000075415134	ref	9.18	-91.84	2	232.331	1.797	2	2	3	Cc1cc2[nH+]c(N)n(CC[NH+](C)C)c2cc1C
365635603	ZINC000354705896	ref	4.55	-57.99	1	260.341	1.923	2	3	3	Cc1[nH]nc2ncc(C[NH2+][C@@H]3CCO[C@H](C)C3)cc12
365635606	ZINC000354707460	ref	1.44	-11.1	0	250.283	1.332	1	6	4	COCc1ncc(C(=O)Nc2cncnc2)s1
365635611	ZINC000354706375	ref	1.94	-14.05	0	289.335	1.03	3	4	8	O=C(CCc1ncc[nH]1)NCc1ccccc1OCCO
365635612	ZINC000354706375	low	2.41	-39.52	1	289.335	1.03	3	3	8	O=C(CCc1[nH]cc[nH+]1)NCc1ccccc1OCCO
365635614	ZINC000354707258	ref	7.19	-17.88	0	298.346	1.391	0	5	6	O=C(COC/C=C/c1ccccc1)N1CC(n2ccnn2)C1
282123639	ZINC000248985771	low	1.8	-29.78	1	305.378	1.609	3	5	7	Cc1ccccc1-c1nc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)no1
365635619	ZINC000354707008	ref	6.09	-8.15	0	260.403	1.695	0	2	8	CCN(CCC1CC1)S(=O)(=O)N(C)CC1CC1
365635624	ZINC000354707862	ref	5.52	-13.68	0	284.4	1.611	2	3	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@@H](C)[C@H]1CCCCO1
365635628	ZINC000354707556	ref	4.61	-20.08	0	281.377	1.401	1	3	5	CCO[C@H](C(=O)N[C@H]1CC[S@@](=O)C1)c1ccccc1
178302316	ZINC000075415134	high	8.71	-47.91	1	232.331	1.797	2	3	3	Cc1cc2nc(N)n(CC[NH+](C)C)c2cc1C
365635630	ZINC000354705845	ref	6.02	-39.18	1	254.374	1.283	2	2	7	C[C@H]1CC=CC[C@H]1C(=O)NCCOCC[NH+](C)C
365635634	ZINC000354705845	high	3.56	-8.06	0	254.374	1.283	1	3	7	C[C@H]1CC=CC[C@H]1C(=O)NCCOCCN(C)C
365635636	ZINC000354706197	ref	4.06	-14.42	0	297.309	1.429	1	5	5	Cc1nn(CC(F)F)c(C)c1C(=O)NCc1ccnn1C
262839561	ZINC000399580197	ref	8.12	-28.31	1	225.332	1.914	1	2	3	COC(=O)[C@H](C1CC1)[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C
365635640	ZINC000354708425	ref	2.34	-13.65	0	290.367	1.542	3	4	7	C[C@H](CO)CCCNC(=O)NCc1cnn2ccccc12
282122633	ZINC000449153967	ref	7.92	-39.57	1	298.39	2.19	2	3	6	C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](C)c1ccccc1-n1cccn1
282122637	ZINC000449153967	high	6.79	-12.31	0	298.39	2.19	2	4	6	C[C@H](NC1CC1)C(=O)N[C@@H](C)c1ccccc1-n1cccn1
282122642	ZINC000449154275	ref	4.77	-44.64	1	292.379	2.31	2	3	6	CCOc1ccccc1NC(=O)COC1CCC([NH3+])CC1
306234671	ZINC000557899653	ref	6.21	-10.62	0	346.456	1.574	2	4	3	C[C@H]1CN(C(=O)C(=O)NCCc2c[nH]c3ncccc23)C[C@@H](C)S1
365635585	ZINC000641602896	mid	4.08	-13.61	0	279.312	1.217	1	3	5	CN(Cc1cnc[nH]1)S(=O)(=O)C[C@]1(C)CC1(F)F
365635589	ZINC000641602896	low	4.6	-41.16	1	279.312	1.217	1	2	5	CN(Cc1c[nH+]c[nH]1)S(=O)(=O)C[C@]1(C)CC1(F)F
365635592	ZINC000641602896	low	4.62	-40.73	1	279.312	1.217	1	2	5	CN(Cc1c[nH]c[nH+]1)S(=O)(=O)C[C@]1(C)CC1(F)F
365639216	ZINC000354712730	high	4.29	-7.03	0	262.357	1.469	1	4	4	C[C@@H](CNC(=O)c1cncnc1)N1CCCC[C@H]1C
365639221	ZINC000354712161	ref	7.1	-44.56	1	297.443	1.481	2	2	7	CC(=O)N[C@H](C)C(=O)N(CC[NH+](C)C)CC1CCCCC1
365639223	ZINC000354712161	high	4.62	-8.93	0	297.443	1.481	1	3	7	CC(=O)N[C@H](C)C(=O)N(CCN(C)C)CC1CCCCC1
365639228	ZINC000354711562	ref	0.65	-8.71	0	296.371	1.754	2	5	4	COc1nn(C)cc1NC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C
365639234	ZINC000354712596	ref	2.89	-21.06	0	285.34	1.014	1	3	4	COc1ccc(CC(=O)N[C@H]2CC[S@@](=O)C2)cc1F
342079200	ZINC000625301167	low	3.96	-48.18	1	283.328	1.477	2	2	5	Cc1ccc(CS(=O)(=O)NCc2c[nH]c[nH+]2)c(F)c1
365639242	ZINC000354713693	ref	4.16	-20.82	0	283.282	1.173	1	4	3	Cc1nn(CC(F)F)c(C)c1C(=O)N=c1ccn(C)[nH]1
365639251	ZINC000354712024	ref	6.31	-17.85	0	291.326	1.685	1	4	6	C[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1ccn(C)n1
365639260	ZINC000354713246	ref	2.08	-8.43	0	274.43	1.484	1	4	6	CC(C)(C)OCCCCN1CCSC[C@H]1C(N)=O
365639269	ZINC000354713246	mid	4.34	-38.32	1	274.43	1.484	2	3	6	CC(C)(C)OCCCC[N@@H+]1CCSC[C@H]1C(N)=O
178302313	ZINC000082800552	ref	3.52	-34.04	0	276.134	1.399	1	4	4	C[C@H](C[C@](C)([NH3+])C(=O)[O-])n1cc(Br)cn1
365639275	ZINC000354713246	mid	4.32	-39.98	1	274.43	1.484	2	3	6	CC(C)(C)OCCCC[N@H+]1CCSC[C@H]1C(N)=O
365639279	ZINC000354712091	ref	6.03	-11.67	0	283.291	1.875	1	6	4	Cc1ccc(Cn2nccc2NC(=O)c2cncnc2)o1
365639285	ZINC000354712333	ref	6.14	-10.08	0	281.396	1.979	1	3	2	C[C@H]1C[C@@H](C)C[C@H](NC(=O)[C@@H]2OC[C@H]3COCC[C@H]32)C1
365639297	ZINC000354712544	ref	6.97	-18.08	0	287.363	1.855	1	4	6	Cc1cccc(O[C@@H](C)C(=O)NCCc2ccn(C)n2)c1
365635602	ZINC000172905060	ref	6.58	-13.46	0	282.344	1.925	1	6	5	COC[C@H](C)Sc1nnc(-c2ccccc2F)n1N
365635607	ZINC000172898349	ref	2.78	-9.51	0	289.328	1.389	0	4	4	COCCS(=O)(=O)N1C[C@@H](C)Oc2cc(F)ccc21
365635613	ZINC000172894690	ref	1.31	-22.93	0	285.365	1.118	2	4	5	Cc1ccccc1NC(=O)[C@H](C)S(=O)(=O)[C@H](C)CO
365635616	ZINC000172904946	ref	4.43	-9.58	0	257.261	1.818	1	5	6	CCOC(=O)CNc1cc(OC)c(OC)cc1F
365635622	ZINC000172894745	ref	2.67	-5.64	0	265.353	1.241	1	4	5	COC[C@@H]1CN(C[C@](C)(O)c2ccccc2)CCO1
365635626	ZINC000172894745	mid	4.49	-40.73	1	265.353	1.241	2	3	5	COC[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CCO1
365635629	ZINC000172894745	mid	4.42	-41.16	1	265.353	1.241	2	3	5	COC[C@@H]1C[N@@H+](C[C@](C)(O)c2ccccc2)CCO1
365635632	ZINC000172895697	ref	3.35	-8.47	0	270.354	1.694	1	3	6	CN(C)S(=O)(=O)Nc1ccccc1OCC1CC1
178302312	ZINC000237210858	ref	6.02	-77.15	2	360.502	1.641	3	3	6	C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1
365635637	ZINC000172898299	ref	3.47	-10.57	0	270.26	1.979	2	5	5	CCOC(=O)CNc1ccc(F)c(NC(=O)OC)c1
365635642	ZINC000172898353	ref	2.69	-9.43	0	289.328	1.389	0	4	4	COCCS(=O)(=O)N1C[C@H](C)Oc2cc(F)ccc21
365635646	ZINC000565311240	ref	5.79	-59.54	1	273.336	1.194	2	3	5	C[C@H](Oc1ccccc1C#N)C(=O)NC[C@@H]1CCC[NH2+]1
197593317	ZINC000162800231	ref	4.08	-8.37	0	317.357	2.201	1	3	4	O=S(=O)(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1F
365635650	ZINC000565321784	ref	4.64	-9.4	0	267.285	1.232	1	5	5	COC1(CNC(=O)c2cc([N+](=O)[O-])cn2C)CCC1
365635658	ZINC000172896336	ref	6.09	-20.83	0	296.317	1.663	1	2	5	CNC(=O)CCN(C)C(=O)[C@H]1C[C@@H]1c1cccc(F)c1F
282122638	ZINC000082281052	ref	3.76	-51.81	1	263.345	0.017	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[NH2+]C1)CC2
197593319	ZINC000162800231	high	3.91	-40.94	-1	317.357	2.201	0	3	4	O=S(=O)([N-][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(F)cc1F
365635666	ZINC000172894675	ref	1.15	-23.13	0	285.365	1.118	2	4	5	Cc1ccccc1NC(=O)[C@@H](C)S(=O)(=O)[C@@H](C)CO
342079201	ZINC000625303165	ref	5.82	-38.4	1	279.38	1.976	3	3	9	C=CC[N@@H+](CCc1ccco1)C[C@H](O)CC1(O)CCC1
282122652	ZINC000178189244	ref	8.27	-48.81	1	331.464	1.672	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[N@@H+](C3CCCCC3)C1)CC2
342079202	ZINC000625303165	mid	5.46	-37.48	1	279.38	1.976	3	3	9	C=CC[N@H+](CCc1ccco1)C[C@H](O)CC1(O)CCC1
342079203	ZINC000625303165	high	3.6	-5.4	0	279.38	1.976	2	4	9	C=CCN(CCc1ccco1)C[C@H](O)CC1(O)CCC1
365635605	ZINC000274359456	ref	5.17	-14.32	0	293.304	1.69	1	7	4	COC(=O)C1(C(=O)Nc2nnc(-c3ccco3)s2)CC1
365635608	ZINC000274359897	ref	5.71	-48.14	1	285.359	1.985	1	3	12	COCCOCCOCCC[NH2+]Cc1cccc(F)c1
365635610	ZINC000274357626	ref	4.02	-19.63	0	295.408	1.861	2	3	4	CCC1(CC)CN(C(=O)c2cc(C(N)=O)c[nH]2)CCS1
365635618	ZINC000274357247	ref	3.7	-14.83	0	274.328	1.502	2	5	5	Cc1cc(C)n(CCCNC(=O)Nc2cncnc2)n1
365635621	ZINC000274359725	ref	4.93	-38.2	1	276.38	1.571	2	2	5	CC(C)[C@@H](CO)[NH2+]CC(=O)N1c2ccccc2C[C@H]1C
365635623	ZINC000274359725	high	4.06	-9.01	0	276.38	1.571	2	3	5	CC(C)[C@@H](CO)NCC(=O)N1c2ccccc2C[C@H]1C
365635627	ZINC000274360080	ref	5.4	-16.6	0	263.297	1.394	1	5	3	COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cncnc2)C1
365635631	ZINC000274360181	ref	3.15	-14.21	0	277.353	1.86	2	5	5	CCc1nc(CCNC(=O)Nc2cncnc2)cs1
365635635	ZINC000274357270	ref	3.52	-10.02	0	278.356	1.737	2	4	1	CC(C)(C)[C@H]1CCN(C(=O)Nc2cncnc2)C[C@H]1O
365635638	ZINC000274357686	ref	4.21	-10.01	0	277.364	1.536	1	3	4	Cc1ccccc1CC(=O)N1CCOC[C@@H]1C[C@H](C)O
342600540	ZINC000616999791	mid	5.38	-41.41	1	281.425	1.922	2	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2cncs2)C1
365635641	ZINC000274357384	ref	3.19	-9.03	0	251.305	1.273	0	3	2	CN1CCN(Cc2cncc(F)c2)C(C)(C)C1=O
365635644	ZINC000274358418	ref	5.56	-44.48	1	263.345	1.282	2	3	3	CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cncnc1
365635647	ZINC000274358418	mid	5.98	-43.71	1	263.345	1.282	2	3	3	CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cncnc1
365635649	ZINC000274358418	high	3.85	-11.26	0	263.345	1.282	1	4	3	CN1CCC[C@H](CN(C)C(=O)Nc2cncnc2)C1
365635653	ZINC000274359267	ref	0.95	-9.62	0	268.361	1.314	4	3	5	Cc1n[nH]cc1CNC(=O)N[C@@H](CO)CC(C)(C)C
349534855	ZINC000594970030	high	4.58	-15.25	0	298.477	2.8	1	4	5	C[S@](=O)[C@@H]1CCC[C@@H](NCc2scnc2C2CC2)C1
365635655	ZINC000274359267	mid	0.9	-9.14	0	268.361	1.314	4	3	5	Cc1[nH]ncc1CNC(=O)N[C@@H](CO)CC(C)(C)C
365635659	ZINC000274357272	ref	3.42	-10.72	0	278.356	1.737	2	4	1	CC(C)(C)[C@@H]1CCN(C(=O)Nc2cncnc2)C[C@H]1O
365635664	ZINC000274359117	ref	4.64	-42.46	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C
365635667	ZINC000274359117	mid	4.89	-42.07	1	277.372	1.096	3	2	2	Cc1n[nH]cc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C
365635671	ZINC000274359117	low	4.58	-43.31	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C
365635615	ZINC000123218158	mid	6.26	-38.09	1	264.291	2.022	1	1	2	C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O
214185794	ZINC000053503293	ref	7.61	-8.9	0	334.46	3.157	1	3	7	CCN(C(=O)CNC(=O)CC(C)(C)C)[C@H](C)c1cccc(OC)c1
365635617	ZINC000123218158	mid	5.01	-9.98	0	264.291	2.022	0	2	2	C[C@H]1CC[C@@H](C)N1[C@@H]1CCN(CC(F)(F)F)C1=O
365635620	ZINC000123159389	ref	4.86	-12.13	0	256.396	2.457	1	4	7	C=CC[C@@H](C)NC(=O)CSCc1cscn1
365635625	ZINC000123209238	ref	7.43	-6.44	0	296.436	2.093	1	3	1	O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCCSCC1
214185797	ZINC000053513002	ref	5.49	-15.71	0	339.461	1.295	1	3	5	C[C@@H](CCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)CC1
365635633	ZINC000123229363	ref	5.66	-8.56	0	289.375	2.374	1	3	3	CO[C@@H]1CCCC[C@H]1NC(=O)[C@H]1OCCc2ccccc21
365635639	ZINC000123248465	ref	7.42	-13.62	0	298.342	2.461	0	3	3	CN(Cc1ccco1)C(=O)c1ccc2c(c1)CCC(=O)N2C
199273051	ZINC000181265469	ref	-0.37	-8.61	0	312.753	1.26	4	4	5	C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1O
306234672	ZINC000557903011	ref	1.21	-17.7	0	331.463	1.33	2	5	5	CCc1cnc(CNC(=O)NC[C@@H]2CCCS(=O)(=O)C2)s1
306234673	ZINC000557909932	ref	8.01	-41.5	1	337.489	1.477	2	3	8	CSc1ccc(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)cc1
365635645	ZINC000123260554	ref	4.83	-9.96	0	291.395	2.325	1	3	2	COc1cccc(N2CCN(C(=O)NC(C)(C)C)CC2)c1
178302315	ZINC000082802917	ref	7.92	-48.98	1	280.371	3.129	2	1	2	Cc1cc(C)cc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1
398249215	ZINC000367210482	ref	4.39	-91.33	2	242.363	0.552	3	2	6	C[NH+]1[C@H]2CC[C@@H]1CC([N@H+](C)CCOCCO)C2
398249220	ZINC000367210482	mid	4.55	-93.53	2	242.363	0.552	3	2	6	C[NH+]1[C@H]2CC[C@@H]1CC([N@@H+](C)CCOCCO)C2
178302318	ZINC000082802917	high	6.36	-9.59	0	280.371	3.129	2	2	2	Cc1cc(C)cc(NC(=O)[C@@H]2CNCc3ccccc32)c1
214185800	ZINC000053507490	ref	5.72	-16.49	0	336.457	1.838	1	3	3	O=C(N[C@H]1CCS(=O)(=O)C1)N1CCC(Cc2ccccc2)CC1
214185807	ZINC000053518153	ref	7.16	-10.32	0	329.444	3.114	2	3	4	O=C(NCCC1=CCCCC1)N1CCN(c2ccccc2O)CC1
214185810	ZINC000053502590	ref	4.12	-18.23	0	347.44	1.718	2	3	6	CN(Cc1ccccc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1
214185821	ZINC000053505949	ref	3.08	-12.68	0	325.384	1.308	1	4	6	COCCNC(=O)N1CCN(Cc2ccc(OC)c(F)c2)CC1
214185825	ZINC000053505949	low	5.29	-52.69	1	325.384	1.308	2	3	6	COCCNC(=O)N1CC[NH+](Cc2ccc(OC)c(F)c2)CC1
197593320	ZINC000290094854	ref	5.72	-9.11	0	283.393	1.863	0	4	5	COC[C@H]1CN(C(=O)CCc2ccc(C)s2)CCO1
349534856	ZINC000162007677	ref	4.27	-6.5	0	247.338	2.284	2	2	4	CCc1ccccc1C(=O)NC1(CO)CCCC1
365635643	ZINC000354707363	ref	5.16	-12.28	0	281.4	1.875	2	2	6	CC[C@@H](C)CCC(=O)N1CC[C@H](NC(=O)NC2CC2)C1
365635648	ZINC000354708116	ref	3.23	-22.93	0	280.393	1.434	2	3	5	Cc1ccccc1NCCC(=O)N[C@@H]1CC[S@@](=O)C1
365635652	ZINC000354707919	ref	5.79	-11.34	0	290.411	1.559	1	3	2	CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCc2nccn21
365635654	ZINC000354707919	mid	7.97	-92.06	2	290.411	1.559	1	3	2	CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCc2nccn21
365635657	ZINC000354707919	mid	8.46	-91.42	2	290.411	1.559	0	4	2	CC(C)[C@H]1CN(C)CCN1C(=O)[C@@H]1CCCc2nccn21
307041753	ZINC000364134928	ref	1.77	-8.85	0	312.332	1.514	1	4	7	CCOC(CN1C[C@H](C(N)=O)CC[C@H]1C(F)(F)F)OCC
365635661	ZINC000354707919	low	7.97	-92.06	2	290.411	1.559	1	2	2	CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21
349534865	ZINC000602431620	ref	2.58	-55.91	1	246.376	0.355	1	2	4	CCN(CC)C(=O)C1([S@](C)=O)CC[NH2+]CC1
365635663	ZINC000354707919	low	8.46	-91.42	2	290.411	1.559	1	2	2	CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCc2[nH+]ccn21
365635668	ZINC000354707689	ref	0.05	-9.94	0	282.344	1.367	2	5	4	COc1nn(C)cc1NC(=O)NCC1(C)CCOCC1
342595937	ZINC000616974438	ref	3.53	-20.67	0	288.347	1.193	2	3	5	COc1ccc([C@@H]2C[C@H]2CC(=O)N[C@H]2CCNC2=O)cc1
342595938	ZINC000616974632	ref	3.57	-15.78	0	266.385	1.844	2	2	2	CC1(C)CC(C(=O)N[C@H]2CCNC2=O)CC(C)(C)C1
185088929	ZINC000096078140	high	2.6	-7.36	0	297.349	1.611	1	4	3	OCCN1CCC(F)(F)[C@@]2(CCN(c3cccnc3)C2)C1
282123640	ZINC000171226489	ref	4.84	-12.12	0	336.193	1.489	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)cn1)CC2
365635674	ZINC000354705957	ref	1.3	-9.3	0	296.371	1.899	2	5	6	COc1nn(C)cc1NC(=O)NCCOC1CCCCC1
365635681	ZINC000354707878	ref	5.49	-16.03	0	275.243	1.686	3	4	3	COc1ccc(F)c2[nH]c(C(=O)Nc3nc[nH]n3)cc12
342595939	ZINC000616973931	ref	2.41	-15.25	0	250.273	1.061	2	2	2	Cc1cc(F)cc(C)c1C(=O)N[C@@H]1CCNC1=O
259308327	ZINC000322971505	high	3.33	-12.05	0	248.326	1.961	2	3	4	Cc1cc(CN)cc(NC(=O)C[C@H]2CCCO2)c1
342595940	ZINC000616973985	ref	3.85	-16.18	0	276.38	1.453	2	2	3	O=C(CC1C2CC3CC(C2)CC1C3)N[C@H]1CCNC1=O
342595941	ZINC000616974011	ref	5.08	-16.87	0	252.318	1.128	0	5	6	CC[C@@H](C)N(CC)C(=O)Cn1cc(C(C)=O)nn1
214185822	ZINC000278486021	ref	1.99	-47.96	1	313.781	1.742	2	4	5	OCC[C@@]1([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCOC1
214185823	ZINC000278486021	high	0.91	-8.34	0	313.781	1.742	2	5	5	OCC[C@@]1(NCc2cc(Cl)c3c(c2)OCCO3)CCOC1
214185826	ZINC000278486414	ref	8.14	-46.37	1	312.373	2.863	3	4	5	Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1
214185829	ZINC000278486414	mid	8.27	-47.08	1	312.373	2.863	3	4	5	Nc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1
214185831	ZINC000278486414	high	5.8	-10.54	0	312.373	2.863	2	5	5	Nc1ccc([N+](=O)[O-])c(N[C@@H]2CCN(Cc3ccccc3)C2)c1
343993965	ZINC000599269058	mid	7.09	-48.62	1	259.353	1.825	2	2	6	CCC[N@@H+](CC(=O)NC)Cc1ccc(C)c(C#N)c1
214185836	ZINC000278485763	ref	4.22	-40.74	-1	310.375	2.718	0	5	4	COc1cc(C)cc([N-]S(=O)(=O)c2c(C)noc2C)c1C
214185837	ZINC000278485763	low	3.9	-9.75	0	310.375	2.718	1	5	4	COc1cc(C)cc(NS(=O)(=O)c2c(C)noc2C)c1C
214185839	ZINC000278486411	ref	8.15	-47.5	1	312.373	2.863	3	4	5	Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@H+](Cc3ccccc3)C2)c1
214185840	ZINC000278486411	mid	8.27	-45.75	1	312.373	2.863	3	4	5	Nc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1
214185843	ZINC000278486411	high	5.82	-9.2	0	312.373	2.863	2	5	5	Nc1ccc([N+](=O)[O-])c(N[C@H]2CCN(Cc3ccccc3)C2)c1
282122639	ZINC000321437608	ref	8.32	-47.75	-1	317.345	3.446	1	6	7	CCC(CC)(CNc1ccc([N+](=O)[O-])c2cccnc12)C(=O)[O-]
214185849	ZINC000278486371	ref	5.05	-6.26	0	315.211	2.76	1	4	6	Cc1ccnc(NCCCO[C@H]2CCOC2)c1Br
290622601	ZINC000492522192	ref	7.18	-17.73	0	285.278	2.054	0	4	2	O=C(/C=C\c1ccncn1)N1CCOc2cccc(F)c21
214185852	ZINC000278486371	low	5.41	-34.39	1	315.211	2.76	1	3	6	Cc1cc[nH+]c(NCCCO[C@H]2CCOC2)c1Br
214190441	ZINC000293664389	ref	3.75	-14.48	0	366.37	0.676	1	7	6	COC[C@H]1CCN1C(=O)C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC
214190448	ZINC000293663701	ref	1.25	-18.23	0	351.432	0.456	2	6	8	CCn1nc(C)c(C(=O)NCCS(=O)(=O)NCc2ccccc2)n1
214190454	ZINC000293652114	ref	-0.16	-14.73	0	368.455	0.705	3	5	7	Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NC[C@H]1CC[C@@H](CO)O1
361823839	ZINC000629301155	ref	5.71	-50.64	-1	279.402	1.795	0	4	8	CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)CC(C)(C)CC
361823841	ZINC000629302418	ref	4.8	-50.42	-1	294.298	1.161	1	4	5	C[C@H]1CN(C(=O)NC[C@@H](CC(=O)[O-])C(F)F)C[C@@H](C)O1
361823844	ZINC000629302534	ref	3.68	-43.87	-1	265.375	1.451	1	4	7	CCC(C)(C)CS(=O)(=O)N[C@@H](C)[C@H](C)C(=O)[O-]
365635651	ZINC000123138246	ref	4.28	-8.41	0	271.349	2.189	0	6	2	N#Cc1cnc(N2CCC[C@H](c3nccs3)C2)cn1
365635656	ZINC000123227715	ref	3.69	-11.84	0	294.376	2.117	1	4	5	Cc1cc(S(=O)(=O)NC2(C#N)CC2)ccc1OC(C)C
365635662	ZINC000123256759	ref	5.87	-36.69	1	293.363	2.176	2	4	5	CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1
365635670	ZINC000123256759	mid	6.5	-39.38	1	293.363	2.176	2	4	5	CCOc1ccc(O)c(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1
365635672	ZINC000123256759	high	4.11	-7.07	0	293.363	2.176	1	5	5	CCOc1ccc(O)c(CN2CCC[C@@H](C(=O)OC)C2)c1
178302317	ZINC000237210858	mid	3.66	-37.61	1	360.502	1.641	2	4	6	CN1CCN(CCOc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1
365635677	ZINC000123256759	high	6.62	-30.61	0	293.363	2.176	1	4	5	CCOc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1
365635680	ZINC000123256759	high	7.17	-30.09	0	293.363	2.176	1	4	5	CCOc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1
178302320	ZINC000237210858	mid	5.96	-78.11	2	360.502	1.641	3	3	6	CN1CC[NH+](CCOc2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)cc2)CC1
365635684	ZINC000123135007	ref	4.31	-9.13	0	285.376	2.497	0	6	2	Cc1csc([C@@H]2CCCN(c3cnc(C#N)cn3)C2)n1
178302323	ZINC000237223217	ref	6.98	-45.0	1	372.469	1.22	2	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)C1
365635692	ZINC000123260320	ref	6.56	-10.57	0	275.348	2.154	0	3	2	C[C@H]1CN(C(=O)[C@@H]2CCCO2)[C@@H](c2ccccc2)CO1
178302326	ZINC000237223318	ref	2.5	-48.38	1	350.459	1.879	3	4	8	COc1cc(OC)cc([C@H](O)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c1
178302332	ZINC000237202896	ref	8.11	-92.44	2	357.502	1.335	2	3	5	CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302337	ZINC000237202896	mid	5.56	-39.8	1	357.502	1.335	1	4	5	CN(C(=O)CCN1CCN(c2ccccn2)CC1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302340	ZINC000237204666	ref	6.45	-97.3	2	374.464	1.683	3	4	6	Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)nnn1C1CC[NH2+]CC1
178305315	ZINC000237276145	ref	4.6	-56.07	1	363.487	1.285	2	4	10	COCC[NH2+]CCNC(=O)CCN1C(=S)N=NC1c1ccc(C)cc1
199273350	ZINC000294963185	ref	2.48	-16.16	0	285.354	1.607	2	8	5	CNc1nnc(SCC(=O)Nc2cc(C)no2)s1
365635701	ZINC000123137987	ref	4.28	-8.4	0	271.349	2.189	0	6	2	N#Cc1cnc(N2CCC[C@@H](c3nccs3)C2)cn1
365635710	ZINC000123192549	ref	4.86	-37.88	1	251.326	2.377	1	3	7	C=C[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1OC
398249216	ZINC000651462280	ref	3.57	-8.67	0	268.719	3.021	2	3	5	OC[C@H](CCF)Nc1ccnc2cc(Cl)ccc12
349534860	ZINC000594969893	ref	6.38	-48.19	1	288.391	2.62	2	3	9	C[C@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1(CO)CC1
365635660	ZINC000617434791	ref	1.95	-20.96	0	291.336	0.874	2	6	3	C[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)s2)c2ncnn21
343993966	ZINC000079919192	ref	6.43	-10.39	0	259.353	2.292	1	4	7	CCn1ccnc1CN(CCCO)c1ccccc1
365635669	ZINC000617433121	ref	5.67	-19.85	0	250.302	0.827	1	5	5	C[C@@H]1C[C@H](NC(=O)COCC2CC2)c2ncnn21
365635678	ZINC000617434992	ref	5.24	-22.17	0	294.355	0.984	1	6	5	C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365635687	ZINC000617434991	ref	5.25	-24.0	0	294.355	0.984	1	6	5	C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1C[C@H](C)n2ncnc21
365635691	ZINC000617431586	ref	4.31	-18.3	0	293.371	0.951	2	5	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365635700	ZINC000617435003	ref	5.68	-45.54	1	251.334	0.74	2	4	4	CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
342079204	ZINC000625301356	ref	3.23	-14.11	0	293.339	1.655	2	3	5	O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1c[nH]cn1
365635706	ZINC000617435003	mid	5.68	-44.92	1	251.334	0.74	2	4	4	CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365635711	ZINC000617435003	high	3.46	-16.75	0	251.334	0.74	1	5	4	CC(C)N(C)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
398249218	ZINC000651462280	mid	4.0	-34.67	1	268.719	3.021	2	2	5	OC[C@H](CCF)Nc1cc[nH+]c2cc(Cl)ccc12
365635718	ZINC000617431520	ref	5.26	-20.28	0	289.339	0.411	1	5	3	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c2ncnn21
365635722	ZINC000617434793	ref	1.95	-20.95	0	291.336	0.874	2	6	3	C[C@@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)c2ncnn21
365635726	ZINC000617435117	ref	5.43	-19.57	0	250.302	0.993	1	5	6	C=CCCOCC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365635733	ZINC000617432919	ref	4.37	-18.23	0	272.312	0.926	2	5	2	C[C@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ncnn21
365635736	ZINC000617432919	mid	4.43	-18.35	0	272.312	0.926	2	5	2	C[C@H]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)c2ncnn21
398249223	ZINC000651464503	ref	7.94	-7.15	0	297.402	3.354	1	4	5	CC(C)c1nccnc1NC[C@@H]1CC[C@@H](c2ccccc2)O1
342079205	ZINC000625301356	mid	3.74	-43.74	1	293.339	1.655	2	3	5	O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1cnc[nH]1
342079206	ZINC000625301356	low	3.73	-43.87	1	293.339	1.655	2	2	5	O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1c[nH+]c[nH]1
342079207	ZINC000625301356	low	3.73	-43.87	1	293.339	1.655	2	2	5	O=S(=O)(C[C@H]1CCCCC1(F)F)NCc1c[nH]c[nH+]1
365635665	ZINC000625075332	ref	3.91	-11.08	0	321.384	2.229	0	6	4	COc1cncc(CN2CCc3c(cnn3-c3ccccc3)C2)n1
178302321	ZINC000082800538	ref	3.9	-46.9	1	290.161	1.487	1	4	4	COC(=O)[C@](C)([NH3+])C[C@@H](C)n1cc(Br)cn1
365635673	ZINC000625078486	ref	5.29	-15.65	0	324.384	2.49	2	4	4	NC(=O)c1ccn(-c2ccc(NC(=O)[C@@H]3CCCC34CC4)cc2)n1
178302324	ZINC000082800538	mid	3.62	-7.93	0	290.161	1.487	1	5	4	COC(=O)[C@](C)(N)C[C@@H](C)n1cc(Br)cn1
342079208	ZINC000625301703	ref	5.12	-44.31	1	282.359	1.873	2	2	7	CNC(=O)[C@H]([NH2+]C[C@H](OC)c1ccc(F)cc1)C(C)C
365635685	ZINC000625076540	ref	7.76	-18.48	0	318.417	2.026	1	3	6	Cc1ccccc1CO[C@H](C)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1
365635697	ZINC000625077011	ref	3.61	-10.48	0	321.483	2.172	1	4	8	CCOC1(CS(=O)(=O)NC(C(C)C)C(C)C)CCOCC1
342079209	ZINC000625301703	high	3.97	-8.72	0	282.359	1.873	2	3	7	CNC(=O)[C@H](NC[C@H](OC)c1ccc(F)cc1)C(C)C
365635705	ZINC000625076774	ref	8.41	-11.52	0	322.453	2.128	0	6	7	CC(C)Cc1nnc(N(C)CC2(C)COC2)n1C[C@@H]1CCCO1
342079210	ZINC000623714634	ref	3.96	-12.49	0	291.342	1.445	2	2	4	CNC(=O)CCCNC(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
365635713	ZINC000625078021	ref	3.91	-11.52	0	321.389	2.301	1	3	4	Cc1ccc(S(=O)(=O)N(C)[C@@H](CO)C(C)(C)C)c(F)c1F
365635721	ZINC000625076587	ref	5.88	-9.48	0	301.452	2.301	1	3	9	CCO[C@H](CS(=O)(=O)NCC1(C2CC2)CCC1)C1CC1
365635727	ZINC000625079123	ref	4.15	-11.81	0	321.508	2.397	1	4	5	CCC(C)(C)CS(=O)(=O)N[C@H]1CCO[C@@]2(CCSC2)C1
342079211	ZINC000625302605	ref	7.71	-10.46	0	290.396	1.631	1	6	4	c1n[nH]cc1-c1nnc(N2CCSCC2)n1CC1CC1
306234674	ZINC000557915839	ref	7.07	-24.85	0	339.395	1.908	1	4	6	C[C@@H]1C[C@@H](NC(=O)COCc2cccnc2)C(=O)N1c1ccccc1
342079212	ZINC000625302401	ref	2.78	-5.88	0	251.33	1.852	1	5	7	COC[C@H](NCc1noc(C2CCC2)n1)C1CC1
342079213	ZINC000625302401	low	3.91	-34.3	1	251.33	1.852	1	4	7	COC[C@H]([NH2+]Cc1noc(C2CCC2)n1)C1CC1
178302336	ZINC000082802932	ref	3.13	-56.04	1	287.363	0.597	2	2	2	NC(=O)C1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1
282122644	ZINC000424481231	ref	4.94	-47.09	-1	332.198	1.846	1	6	6	CCC(CC)(CNc1cnn(C)c(=O)c1Br)C(=O)[O-]
342079214	ZINC000625302399	ref	2.9	-5.81	0	251.33	1.852	1	5	7	COC[C@@H](NCc1noc(C2CCC2)n1)C1CC1
342079215	ZINC000625302399	low	4.15	-34.25	1	251.33	1.852	1	4	7	COC[C@@H]([NH2+]Cc1noc(C2CCC2)n1)C1CC1
342079216	ZINC000625300072	ref	1.27	-39.97	1	293.407	1.756	4	3	9	OCCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccccc1
398249222	ZINC000367210482	mid	4.23	-93.48	2	242.363	0.552	3	2	6	C[NH+](CCOCCO)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C
349534866	ZINC000594968747	ref	7.11	-40.94	1	297.439	2.639	2	3	8	COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C)C2(CO)CC2)C1
349534873	ZINC000594968980	ref	6.34	-56.5	1	287.375	2.744	1	1	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1
343993967	ZINC000599269058	mid	5.03	-10.17	0	259.353	1.825	1	3	6	CCCN(CC(=O)NC)Cc1ccc(C)c(C#N)c1
349534877	ZINC000594968980	high	5.28	-16.25	0	287.375	2.744	1	2	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1
349534880	ZINC000594969050	ref	8.85	-51.72	1	298.386	2.565	1	3	6	COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1ccnc2ccccc12
178302325	ZINC000075415072	ref	8.61	-25.74	1	217.316	2.891	1	2	2	Cc1cc2[nH+]c(N)n(CC(C)C)c2cc1C
178302328	ZINC000075415072	high	8.58	-8.88	0	217.316	2.891	1	3	2	Cc1cc2nc(N)n(CC(C)C)c2cc1C
342079217	ZINC000625300072	high	0.2	-6.43	0	293.407	1.756	4	4	9	OCCC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccccc1
178302338	ZINC000026972648	ref	4.51	-29.9	0	233.271	1.134	2	3	3	Cc1cc2nc(C[C@@H]([NH3+])C(=O)[O-])[nH]c2cc1C
282122645	ZINC000248972001	mid	2.19	-36.46	1	312.435	1.411	4	4	8	CSc1ccc(NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1
178302342	ZINC000045236104	ref	5.06	-5.54	0	221.285	2.716	2	4	2	Cc1cc2nc(N(O)C=N)sc2cc1C
398249226	ZINC000367210482	mid	4.55	-93.53	2	242.363	0.552	3	2	6	C[NH+](CCOCCO)C1C[C@@H]2CC[C@H](C1)[N@H+]2C
365635675	ZINC000172894868	ref	0.61	-15.04	0	280.292	1.584	1	4	6	C[C@@H](CO)S(=O)(=O)Cc1ccccc1OC(F)F
398249227	ZINC000367210482	mid	4.0	-33.42	1	242.363	0.552	2	3	6	CN(CCOCCO)C1C[C@@H]2CC[C@H](C1)[N@@H+]2C
398249231	ZINC000367210482	mid	4.3	-33.08	1	242.363	0.552	2	3	6	CN(CCOCCO)C1C[C@@H]2CC[C@H](C1)[N@H+]2C
398249234	ZINC000367210482	mid	2.06	-31.63	1	242.363	0.552	2	3	6	CN1[C@H]2CC[C@@H]1CC([N@H+](C)CCOCCO)C2
398249236	ZINC000367210482	mid	2.18	-29.85	1	242.363	0.552	2	3	6	CN1[C@H]2CC[C@@H]1CC([N@@H+](C)CCOCCO)C2
398249238	ZINC000367295190	ref	4.94	-40.21	1	220.316	1.952	1	2	5	COC[C@H](C)[NH2+]C1CC(c2ccccn2)C1
398249248	ZINC000367021491	ref	7.84	-31.68	1	211.305	1.671	1	2	3	COC(=O)[C@H](C)C[N@@H+]1CCC2(CCC2)C1
178302373	ZINC000040310913	ref	4.87	-12.0	0	218.3	2.115	1	3	3	Cc1cc2nc(CCCO)n(C)c2cc1C
178302377	ZINC000040310913	low	5.31	-28.18	1	218.3	2.115	1	2	3	Cc1cc2[nH+]c(CCCO)n(C)c2cc1C
398249253	ZINC000367021491	mid	7.81	-36.8	1	211.305	1.671	1	2	3	COC(=O)[C@H](C)C[N@H+]1CCC2(CCC2)C1
365635682	ZINC000565311247	ref	5.61	-59.84	1	273.336	1.194	2	3	5	C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H]1CCC[NH2+]1
282122648	ZINC000248972001	mid	2.31	-36.99	1	312.435	1.411	4	4	8	CSc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1
282122651	ZINC000248975861	ref	6.37	-10.6	0	322.405	1.729	1	4	3	C[C@@H]1C[C@@H](C)CC2(C1)NC(=O)N(CC(=O)[C@H]1CCCOC1)C2=O
365635676	ZINC000274359117	low	4.83	-42.64	1	277.372	1.096	3	2	2	Cc1[nH]ncc1CNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C
178302339	ZINC000082802932	high	1.76	-14.04	0	287.363	0.597	2	3	2	NC(=O)C1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1
178302341	ZINC000082800536	ref	3.55	-47.02	1	290.161	1.487	1	4	4	COC(=O)[C@@](C)([NH3+])C[C@@H](C)n1cc(Br)cn1
365635679	ZINC000274360397	ref	3.56	-11.27	0	276.34	1.635	2	4	1	O=C(Nc1cncnc1)N1CC[C@]2(O)CCCC[C@@H]2C1
178302343	ZINC000082800536	mid	3.8	-8.41	0	290.161	1.487	1	5	4	COC(=O)[C@@](C)(N)C[C@@H](C)n1cc(Br)cn1
282122655	ZINC000248972002	ref	1.66	-11.48	0	312.435	1.411	3	5	8	CSc1ccc(NC(=O)CN(C[C@@H](C)O)[C@H](C)CO)cc1
349534867	ZINC000618814251	ref	6.31	-21.75	0	258.325	1.65	0	4	4	CCc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1
349534870	ZINC000618814097	ref	6.23	-20.53	0	288.351	1.551	0	5	6	Cc1cccc(OCCC(=O)N(C)Cc2cn(C)nn2)c1
365635683	ZINC000274357937	ref	2.43	-15.34	0	271.263	1.175	2	3	6	CC(=O)c1ccc(CC(=O)NCC(F)(F)CO)cc1
214185828	ZINC000053518142	ref	7.11	-12.45	0	342.443	2.443	1	4	6	Cc1cc(CN2CCN(C(=O)NCCCc3ccccc3)CC2)no1
365635689	ZINC000274357693	ref	4.25	-9.31	0	299.317	1.506	1	3	4	C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc(F)cc1F
282122659	ZINC000248972002	mid	2.38	-37.68	1	312.435	1.411	4	4	8	CSc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1
365635694	ZINC000274357691	ref	3.83	-9.97	0	299.317	1.506	1	3	4	C[C@H](O)C[C@H]1COCCN1C(=O)Cc1ccc(F)cc1F
282122662	ZINC000248972002	mid	2.69	-36.78	1	312.435	1.411	4	4	8	CSc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc1
365635698	ZINC000274357238	ref	6.75	-46.3	1	275.356	1.567	2	3	2	CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cncnc1
282952187	ZINC000419075094	ref	4.43	-13.06	0	309.218	2.028	0	2	3	CN1CCN(CCc2c(Cl)cccc2Cl)S1(=O)=O
365635703	ZINC000274357238	mid	5.91	-47.31	1	275.356	1.567	2	3	2	CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cncnc1
282122670	ZINC000248973599	ref	1.38	-39.59	1	305.378	1.224	2	6	8	C[C@@H](O)CN(Cc1nc(Cc2ccccc2)no1)[C@H](C)CO
262839562	ZINC000399580197	mid	8.27	-29.14	1	225.332	1.914	1	2	3	COC(=O)[C@H](C1CC1)[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C
282122684	ZINC000248973599	low	2.85	-36.85	1	305.378	1.224	3	5	8	C[C@@H](O)C[N@H+](Cc1nc(Cc2ccccc2)no1)[C@H](C)CO
365635686	ZINC000354706899	ref	-0.37	-8.9	0	268.317	1.119	2	5	3	COc1nn(C)cc1NC(=O)NC1(C)CCOCC1
365635690	ZINC000354708428	ref	7.02	-38.09	1	266.385	1.641	1	2	3	C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC[C@H]1CCCO1
365635696	ZINC000354708428	mid	6.79	-38.46	1	266.385	1.641	1	2	3	C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@H]1CCCO1
365635702	ZINC000354706488	ref	4.28	-21.96	0	292.383	1.784	2	4	5	CC[C@H]1CCCC[C@@H]1C(=O)Nc1cnn(CC(=O)NC)c1
365639217	ZINC000623071316	ref	3.97	-52.99	1	310.423	1.893	2	4	2	[NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3nccs3)C2)C1
365639225	ZINC000623071472	ref	3.16	-53.8	1	324.45	1.63	1	5	3	CC(C)c1nnc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1
178302344	ZINC000237204666	mid	4.38	-52.09	1	374.464	1.683	2	5	6	Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)N(C)C)nnn1C1CC[NH2+]CC1
365639231	ZINC000623071903	ref	5.29	-49.82	1	308.382	1.298	2	4	2	Cc1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)no1
365639235	ZINC000623071592	ref	3.97	-60.43	1	310.423	1.893	2	4	2	[NH3+][C@H]1CCO[C@H](C2CCN(C(=O)Nc3nccs3)CC2)C1
365639246	ZINC000623071700	ref	4.2	-48.56	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3ccccn3)C2)C1
178302346	ZINC000237208422	ref	9.27	-54.94	1	369.44	1.657	2	2	6	C[NH2+]CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1
178302350	ZINC000237208422	high	7.82	-13.3	0	369.44	1.657	2	3	6	CNCC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCc1ccc(F)cc1
365639254	ZINC000623071556	ref	3.47	-54.16	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)Nc3cccnc3)CC2)C1
282122649	ZINC000449154480	ref	5.59	-40.64	1	298.814	2.395	2	2	8	CCC[NH2+][C@H](C)C(=O)NCCc1ccc(OC)cc1Cl
185088934	ZINC000096076144	ref	7.83	-15.86	0	276.34	0.694	0	5	4	CCOCC(=O)N1CC[C@@]2(CCN2c2ncccn2)C1
365639262	ZINC000623071042	ref	5.69	-57.25	1	301.39	1.227	1	2	0	O=C(N1CCc2ccccc2C1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1
365639267	ZINC000623071042	mid	4.37	-9.29	0	301.39	1.227	1	3	0	O=C(N1CCc2ccccc2C1)N1CC[C@@H]2OCCN[C@@H]2C1
295666319	ZINC000454391771	ref	8.01	-13.21	0	320.408	3.298	1	2	4	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCC[C@@H]1CF
349534868	ZINC000621494175	ref	8.19	-10.01	0	286.366	3.253	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CC[C@H](C2CCCC2)C1
295666324	ZINC000507768249	ref	6.79	-6.12	0	279.424	3.136	1	2	3	O=C(NC[C@@H]1CCCOC1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21
365639461	ZINC000123574884	ref	4.49	-11.28	0	265.382	2.346	1	4	3	C[C@@H](C(=O)Nc1nccs1)N1CCC2(CCC2)C1
365635688	ZINC000172903963	ref	7.38	-8.58	0	265.309	1.767	1	5	7	CCOC(=O)CNc1ccc(CCC(=O)OC)cc1
365635693	ZINC000172900686	ref	6.13	-11.75	0	280.349	1.681	0	4	5	CSc1ccc(OCCN2C(=O)CN(C)C2=O)cc1
365635699	ZINC000172893970	ref	2.16	-8.69	0	289.335	1.584	0	6	5	COC[C@H]1CN(Cc2noc(-c3ccccc3)n2)CCO1
178302354	ZINC000237222072	ref	2.54	-72.67	0	363.43	1.98	3	3	7	C[NH2+]CCCC(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F
214190650	ZINC000337635145	ref	6.24	-34.66	1	281.4	0.937	1	2	2	C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
365635708	ZINC000172894350	ref	0.96	-22.95	0	285.365	1.038	2	4	5	Cc1ccc(C)c(NC(=O)CS(=O)(=O)[C@@H](C)CO)c1
365635714	ZINC000172896079	ref	4.09	-15.02	0	275.308	1.07	2	5	5	Cn1c(=O)oc2ccc(NCC(=O)NCC3CC3)cc21
365635723	ZINC000172903554	ref	2.91	-11.67	0	293.348	1.776	1	4	3	CC[C@@H]1CN(S(=O)(=O)c2cn[nH]c2)c2ccccc2O1
365635728	ZINC000172903422	ref	3.42	-9.87	0	285.365	1.64	0	4	5	CC[C@@H]1CN(S(=O)(=O)CCOC)c2ccccc2O1
365635731	ZINC000172901375	ref	6.84	-8.23	0	258.347	1.124	1	7	6	CCCCOC(=O)[C@@H](C)Sc1nnc(C)n1N
365635737	ZINC000189247370	ref	2.19	-13.88	0	288.347	1.809	3	3	5	CC[C@@](C)(CCO)NC(=O)c1c[nH]c(=O)c2ccccc12
178302357	ZINC000237222072	high	2.54	-72.67	0	363.43	1.98	2	3	7	C[NH2+]CCCC(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F
365635743	ZINC000172895472	ref	1.09	-8.83	0	299.396	1.13	1	4	4	C[C@H]1COCCN1c1ccc(NS(=O)(=O)N(C)C)cc1
365635751	ZINC000189248453	ref	6.83	-18.14	0	294.376	1.726	0	4	2	Cc1cc(C(=O)N2CSC[C@H]2C(=O)N2CCCC2)co1
398249229	ZINC000651462655	ref	5.8	-47.99	1	291.42	3.351	2	3	4	Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2cccs2)C1
365635761	ZINC000172895466	ref	1.09	-8.82	0	299.396	1.13	1	4	4	C[C@@H]1COCCN1c1ccc(NS(=O)(=O)N(C)C)cc1
199273052	ZINC000181265469	high	0.2	-40.07	-1	312.753	1.26	3	4	5	C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1[O-]
365635768	ZINC000172893618	ref	1.0	-23.07	0	285.365	1.038	2	4	5	Cc1ccc(NC(=O)CS(=O)(=O)[C@@H](C)CO)c(C)c1
178305888	ZINC000000393886	high	8.3	-7.84	0	243.354	3.097	0	3	2	Cc1cc2ncn(CN3CCCCC3)c2cc1C
365635773	ZINC000172896279	ref	4.0	-13.6	0	274.242	1.312	1	2	4	CNC(=O)CCN(C)C(=O)c1c(F)cc(F)cc1F
365635783	ZINC000172893655	ref	-0.64	-17.8	0	281.333	1.637	1	5	5	C[C@@H](CO)S(=O)(=O)Cc1coc(-c2ccccc2)n1
365635797	ZINC000172894625	ref	-0.49	-19.52	0	299.323	1.776	1	5	5	C[C@H](CO)S(=O)(=O)Cc1ncc(-c2ccccc2F)o1
214185833	ZINC000053494749	ref	6.32	-15.23	0	345.443	2.458	2	3	8	COc1ccc([C@@H](NC(=O)NCCCN2CCCC2=O)C2CC2)cc1
214185838	ZINC000053508213	ref	5.9	-10.1	0	336.436	2.78	2	5	6	CCN(CC)c1ccc(NC(=O)[C@H](C)NC(=O)OC(C)(C)C)cn1
214185841	ZINC000053508716	ref	8.9	-11.46	0	331.441	2.596	0	5	3	O=C(CSc1ncc2ccccn12)N1CCO[C@@H]2CCCC[C@@H]21
214185844	ZINC000053508716	low	9.38	-37.27	1	331.441	2.596	0	4	3	O=C(CSc1[nH+]cc2ccccn12)N1CCO[C@@H]2CCCC[C@@H]21
214185848	ZINC000053496976	ref	6.07	-38.06	1	329.282	2.896	1	2	9	COCCC[NH2+]C[C@@H](C)N(C)Cc1ccccc1Br
214185850	ZINC000053510014	ref	7.53	-13.69	0	342.38	2.987	1	6	5	Cn1cc(C(=O)NCc2ccsc2)c(-c2ccc([N+](=O)[O-])cc2)n1
214185854	ZINC000053518097	ref	4.47	-17.46	0	325.434	0.906	1	3	5	CS(=O)(=O)N1CCN(C(=O)NCCCc2ccccc2)CC1
214185856	ZINC000053501764	ref	7.56	-4.92	0	344.48	3.439	1	4	8	CCN(CC)[C@@H](CNC(=O)C(=O)c1ccc(C)cc1)c1ccsc1
214185859	ZINC000053501764	mid	9.86	-35.35	1	344.48	3.439	2	3	8	CC[NH+](CC)[C@@H](CNC(=O)C(=O)c1ccc(C)cc1)c1ccsc1
214185861	ZINC000053515519	ref	6.77	-19.56	0	339.457	2.506	0	4	5	C[C@@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(S(C)(=O)=O)cc1
214185863	ZINC000053505964	ref	8.08	-46.47	1	327.428	2.313	2	2	5	COCCNC(=O)N1CC[NH+](Cc2cccc3ccccc23)CC1
214185865	ZINC000053505964	mid	5.87	-9.86	0	327.428	2.313	1	3	5	COCCNC(=O)N1CCN(Cc2cccc3ccccc23)CC1
214185867	ZINC000053517356	ref	9.82	-12.85	0	332.411	3.337	1	5	5	C[C@@H](c1ccc(-n2cncn2)cc1)N(C)Cc1nc2ccccc2[nH]1
214185870	ZINC000053517356	mid	12.04	-51.37	1	332.411	3.337	2	4	5	C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1nc2ccccc2[nH]1
365635695	ZINC000336553930	ref	4.5	-34.0	1	250.342	2.292	1	3	2	Cc1nc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)oc1C
282122650	ZINC000533471465	ref	4.73	-22.45	0	281.381	1.668	2	4	7	CC[C@H](SC)C(=O)NCCC(=O)Nc1ccccn1
342079218	ZINC000625302017	ref	6.28	-42.15	1	264.373	1.249	1	4	4	Cn1cc(CC[N@@H+]2CCC[C@H]2C2CCOCC2)nn1
192339878	ZINC000273861625	ref	4.66	-12.54	0	287.319	1.903	0	5	4	Cc1ccccc1OCc1noc([C@@H]2CC(=O)N(C)C2)n1
192339885	ZINC000273861595	ref	2.94	-14.71	0	296.323	1.702	0	5	3	O=S1(=O)CC[C@H](c2noc(Cc3ccccc3F)n2)C1
192339889	ZINC000273863661	ref	5.17	-45.0	1	293.367	1.025	0	4	7	CCOCCOC1CN(C(=O)c2c[nH+]ccc2N(C)C)C1
365635704	ZINC000336553930	mid	3.82	-33.22	1	250.342	2.292	1	3	2	Cc1nc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)oc1C
365635709	ZINC000336553930	mid	2.14	-6.64	0	250.342	2.292	0	4	2	Cc1nc(CN2CCC[C@@H]3COCC[C@H]32)oc1C
365635717	ZINC000336552113	ref	8.83	-10.19	0	284.363	2.249	0	4	2	CC1=C[C@@H](C)CN(C(=O)c2cnn(C)c2-n2cccc2)C1
365635724	ZINC000336551864	ref	7.08	-6.92	0	267.76	2.351	0	3	3	CC1=C[C@@H](C)CN(C(=O)CCn2cc(Cl)cn2)C1
365635729	ZINC000336553222	ref	4.07	-31.12	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2CO)s1
365635734	ZINC000336553222	mid	4.26	-33.33	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@@H+]2CCC[C@H](C)[C@H]2CO)s1
365635739	ZINC000336553222	high	2.19	-5.17	0	254.399	2.353	1	4	3	Cc1nc(C)c(CN2CCC[C@H](C)[C@H]2CO)s1
365635745	ZINC000336553633	ref	6.79	-44.52	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)[nH]n1
365635752	ZINC000336553633	mid	6.34	-43.91	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)[nH]n1
365635755	ZINC000336553633	mid	6.71	-38.24	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)n[nH]1
365635760	ZINC000336553633	mid	6.25	-37.49	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)n[nH]1
365635765	ZINC000336553516	ref	4.87	-9.82	0	259.353	2.184	0	4	3	CN(Cc1nc2ccccc2n1C)[C@@H]1CCCOC1
365635771	ZINC000336553516	mid	7.46	-40.9	1	259.353	2.184	1	3	3	Cn1c(C[N@H+](C)[C@@H]2CCCOC2)nc2ccccc21
365635782	ZINC000336553516	mid	7.24	-41.64	1	259.353	2.184	1	3	3	Cn1c(C[N@@H+](C)[C@@H]2CCCOC2)nc2ccccc21
365635795	ZINC000336552855	ref	5.61	-32.49	1	252.383	2.452	1	3	2	Cc1csc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)n1
365635806	ZINC000336552855	mid	5.77	-33.61	1	252.383	2.452	1	3	2	Cc1csc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)n1
365635810	ZINC000336552855	high	3.6	-5.34	0	252.383	2.452	0	4	2	Cc1csc(CN2CCC[C@H]3COCC[C@@H]32)n1
365635819	ZINC000336552142	ref	5.07	-16.58	0	293.388	2.128	0	3	2	CC1=C[C@H](C)CN(C(=O)c2cccc(S(C)(=O)=O)c2)C1
342079219	ZINC000625302017	mid	5.66	-42.77	1	264.373	1.249	1	4	4	Cn1cc(CC[N@H+]2CCC[C@H]2C2CCOCC2)nn1
365635829	ZINC000336554011	ref	6.87	-41.89	1	265.328	2.458	1	2	3	Fc1ccc(OC2CC[NH+]([C@@H]3CCOC3)CC2)cc1
342079220	ZINC000077846654	ref	2.04	-5.86	0	298.77	1.802	3	3	4	CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccc(Cl)cc1
365635835	ZINC000336554011	high	5.0	-4.9	0	265.328	2.458	0	3	3	Fc1ccc(OC2CCN([C@@H]3CCOC3)CC2)cc1
365635843	ZINC000336552214	ref	6.79	-12.01	0	291.376	2.077	0	5	1	Cc1csc2ncc(C(=O)N3[C@@H](C)CC[C@H]3C)c(=O)n12
178302360	ZINC000237211391	ref	2.41	-50.0	1	367.393	1.643	1	4	6	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)C1
365635707	ZINC000274359362	ref	0.16	-13.88	0	293.302	1.13	3	4	6	Cc1n[nH]cc1CNC(=O)NCCOc1ncccc1F
178302365	ZINC000237203539	ref	2.88	-44.2	1	351.472	1.096	2	3	6	CN(C(=O)CCNS(=O)(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302369	ZINC000237216813	ref	1.95	-18.58	0	362.451	1.653	2	4	7	COc1ccc([C@@H](NC(=O)CC[NH3+])c2cccc(S(C)(=O)=O)c2)cc1
178302374	ZINC000237216813	high	1.95	-18.58	0	362.451	1.653	2	5	7	COc1ccc([C@@H](NC(=O)CCN)c2cccc(S(C)(=O)=O)c2)cc1
282122654	ZINC000533471661	ref	3.47	-13.77	0	277.368	1.426	2	3	4	C[C@@H](O)[C@H]1CCCN(C(=O)NCCc2ccccn2)C1
365635712	ZINC000274359362	mid	0.12	-13.69	0	293.302	1.13	3	4	6	Cc1[nH]ncc1CNC(=O)NCCOc1ncccc1F
365635715	ZINC000274360164	ref	2.77	-12.18	0	259.302	1.392	1	3	5	CCC(=O)CNS(=O)(=O)c1cc(C)ccc1F
365635719	ZINC000274360164	high	2.68	-51.17	-1	259.302	1.392	0	3	5	CCC(=O)C[N-]S(=O)(=O)c1cc(C)ccc1F
282122658	ZINC000533470140	ref	4.26	-7.9	0	254.374	1.835	2	2	3	C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@H]2CC2(C)C)C1
178302376	ZINC000237204852	ref	3.74	-45.08	1	352.428	1.816	1	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)C(F)F)C1
178302383	ZINC000237207884	ref	4.23	-40.46	1	364.877	1.881	3	2	5	CN(C(=O)CNC(=O)NCc1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
192339883	ZINC000421441025	ref	7.37	-8.58	0	233.233	2.363	0	1	4	C=CCN(CC(F)(F)F)C(=O)[C@@H]1CC12CC2
282122663	ZINC000533470078	ref	4.13	-40.57	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1
282122667	ZINC000533470078	mid	4.52	-40.01	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1
365639218	ZINC000274370739	ref	1.57	-10.61	0	266.345	1.021	3	3	4	Cc1n[nH]cc1CNC(=O)N(C)C[C@@H]1CCC[C@H]1O
365639222	ZINC000274370739	mid	1.52	-10.04	0	266.345	1.021	3	3	4	Cc1[nH]ncc1CNC(=O)N(C)C[C@@H]1CCC[C@H]1O
365639227	ZINC000274367779	ref	4.91	-11.94	0	252.289	1.601	1	3	5	CCC(=O)CNC(=O)c1ccc(N(C)C)cc1F
365639233	ZINC000274370173	ref	1.95	-13.76	0	289.335	1.742	3	3	5	CC(C)[C@H](NC(=O)NCc1coc2ccccc12)C(N)=O
365639238	ZINC000274370741	ref	1.77	-11.17	0	266.345	1.021	3	3	4	Cc1n[nH]cc1CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O
349534869	ZINC000602430260	ref	1.89	-13.21	0	228.252	0.142	1	6	6	CCN(CCO)Cc1cn(C)nc1[N+](=O)[O-]
365639241	ZINC000274370741	mid	1.73	-10.91	0	266.345	1.021	3	3	4	Cc1[nH]ncc1CNC(=O)N(C)C[C@@H]1CCC[C@@H]1O
342595942	ZINC000616973823	ref	3.17	-20.05	0	288.347	1.12	2	3	3	COc1ccc2c(c1)[C@@H](C(=O)N[C@H]1CCNC1=O)CCC2
365635716	ZINC000123192549	high	3.63	-6.84	0	251.326	2.377	1	4	7	C=C[C@@H](C)NCc1cc(OC)c(OC)cc1OC
199273054	ZINC000181265631	ref	4.76	-51.08	1	315.421	1.175	3	3	3	CN1CCC([NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC1
199273056	ZINC000181265631	low	7.15	-118.02	2	315.421	1.175	4	2	3	C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC1
342595943	ZINC000616974455	ref	3.99	-16.96	0	292.766	1.766	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccccc2Cl)CCC1
365635720	ZINC000123183923	ref	9.26	-37.47	1	276.38	2.138	1	3	4	COC(=O)[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1
342595944	ZINC000616974370	ref	4.88	-12.11	0	270.373	1.007	1	3	5	CC[C@H](C)N(CC)C(=O)CN1CCCC[C@H](O)C1=O
342595945	ZINC000616974490	ref	3.62	-15.21	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCC[C@H]1C1CC1
365635725	ZINC000123183923	mid	9.4	-34.72	1	276.38	2.138	1	3	4	COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(N(C)C)cc2)C1
342595946	ZINC000616973427	ref	2.43	-15.56	0	273.119	1.612	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(Cl)cc(Cl)c1
212167072	ZINC000335490448	ref	8.26	-11.62	0	295.37	3.463	0	2	2	O=C([C@@H]1CCCCS1)N1CCC[C@@H](CC(F)(F)F)C1
365635730	ZINC000123183923	high	6.67	-6.76	0	276.38	2.138	0	4	4	COC(=O)[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1
365635735	ZINC000123259516	ref	7.77	-9.37	0	255.314	2.115	0	4	5	C=CCOC(=O)CN(C(=O)OC(C)(C)C)C1CC1
365635741	ZINC000123241239	ref	8.43	-40.18	1	292.427	2.032	1	4	7	COCCCCC[NH+]1CCN(c2nc(C)cc(C)n2)CC1
365635746	ZINC000123241239	mid	6.03	-8.09	0	292.427	2.032	0	5	7	COCCCCCN1CCN(c2nc(C)cc(C)n2)CC1
365635748	ZINC000123209149	ref	6.78	-44.95	1	281.4	2.018	3	2	3	C[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC(=O)NC1CCCCC1
365635753	ZINC000123209149	mid	6.41	-43.04	1	281.4	2.018	3	2	3	C[C@H]1CC[C@@H](C)[N@H+]1CC(=O)NC(=O)NC1CCCCC1
365635757	ZINC000123209149	high	4.58	-15.69	0	281.4	2.018	2	3	3	C[C@H]1CC[C@@H](C)N1CC(=O)NC(=O)NC1CCCCC1
342595947	ZINC000616973452	ref	4.17	-18.9	0	272.348	1.359	2	2	3	CC1(C)C[C@@]1(C(=O)N[C@H]1CCNC1=O)c1ccccc1
349534871	ZINC000093284132	ref	0.29	-9.41	0	290.371	0.981	1	6	5	CCc1nc(CN2CCN(Cc3c[nH]nc3C)CC2)no1
342595948	ZINC000616974169	ref	5.94	-13.42	0	279.388	1.048	0	5	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1Cn2c(C)nnc2CN1C
365635764	ZINC000123231845	ref	3.98	-14.93	0	290.266	2.04	1	3	3	N#CC1(NS(=O)(=O)c2ccccc2C(F)(F)F)CC1
349534872	ZINC000602430260	mid	3.9	-46.69	1	228.252	0.142	2	5	6	CC[N@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-]
349534874	ZINC000602430260	mid	4.22	-46.41	1	228.252	0.142	2	5	6	CC[N@@H+](CCO)Cc1cn(C)nc1[N+](=O)[O-]
349534878	ZINC000258915645	ref	6.24	-45.39	1	248.37	2.078	2	1	7	C[NH2+]CCC(=O)NCCc1ccc(C(C)C)cc1
365635732	ZINC000625076546	ref	7.76	-16.96	0	318.417	2.026	1	3	6	Cc1ccccc1CO[C@H](C)C(=O)N[C@H]1CC(=O)N(C(C)C)C1
365635738	ZINC000625075048	ref	5.07	-13.31	0	300.305	2.265	1	3	4	Cc1cc(C(F)F)oc1C(=O)N[C@H]1CC(=O)N(C(C)C)C1
365635742	ZINC000625079670	ref	4.79	-41.73	1	311.397	2.192	3	3	9	C[N@H+](CCCOc1ccc(F)cc1)C[C@@H](O)CC1(O)CCC1
282122656	ZINC000178189244	mid	8.23	-47.97	1	331.464	1.672	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[N@H+](C3CCCCC3)C1)CC2
282122665	ZINC000237829957	ref	4.0	-57.03	1	285.351	0.718	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]([NH3+])c1ccccc1)CC2
282122675	ZINC000237829957	mid	3.68	-16.0	0	285.351	0.718	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](N)c1ccccc1)CC2
365635747	ZINC000625079670	mid	4.79	-42.8	1	311.397	2.192	3	3	9	C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H](O)CC1(O)CCC1
178302362	ZINC000082802893	ref	4.84	-49.7	1	267.332	1.585	2	2	3	O=C(NCc1cccnc1)[C@H]1C[NH2+]Cc2ccccc21
398249232	ZINC000651462655	mid	5.72	-44.3	1	291.42	3.351	2	3	4	Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCO[C@H](c2cccs2)C1
178302363	ZINC000082802893	high	3.32	-9.53	0	267.332	1.585	2	3	3	O=C(NCc1cccnc1)[C@H]1CNCc2ccccc21
365635750	ZINC000625079670	high	2.4	-7.15	0	311.397	2.192	2	4	9	CN(CCCOc1ccc(F)cc1)C[C@@H](O)CC1(O)CCC1
342079221	ZINC000625301828	ref	2.07	-45.83	1	255.299	1.098	2	4	4	Cc1cc(S(=O)(=O)NCc2c[nH]cn2)c(C)o1
190493764	ZINC000269430313	ref	7.65	-8.49	0	295.448	3.097	1	3	9	CO[C@H](C)CCNC(=O)[C@H](C)CSCc1ccccc1
262839563	ZINC000399580197	high	5.87	-5.13	0	225.332	1.914	0	3	3	COC(=O)[C@H](C1CC1)N1C[C@H](C)[C@@H](C)[C@@H]1C
342079222	ZINC000625301828	mid	2.06	-45.94	1	255.299	1.098	2	4	4	Cc1cc(S(=O)(=O)NCc2cnc[nH]2)c(C)o1
342079223	ZINC000625301828	low	2.07	-45.83	1	255.299	1.098	2	3	4	Cc1cc(S(=O)(=O)NCc2c[nH+]c[nH]2)c(C)o1
342079224	ZINC000625301828	low	2.06	-45.94	1	255.299	1.098	2	3	4	Cc1cc(S(=O)(=O)NCc2c[nH]c[nH+]2)c(C)o1
342079225	ZINC000625301706	ref	5.12	-43.26	1	282.359	1.873	2	2	7	CNC(=O)[C@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)C(C)C
342079226	ZINC000625301706	high	4.58	-8.5	0	282.359	1.873	2	3	7	CNC(=O)[C@H](NC[C@@H](OC)c1ccc(F)cc1)C(C)C
365635740	ZINC000617434868	ref	1.82	-26.59	0	291.336	0.874	2	6	3	C[C@H]1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)c2ncnn21
365635744	ZINC000617433367	ref	2.86	-29.32	0	285.307	0.813	2	5	3	C[C@@H]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)c2ncnn21
365635749	ZINC000617432540	ref	5.04	-19.84	0	277.328	0.413	1	5	3	C[C@H]1C[C@@H](NC(=O)CN2CCCCC2=O)c2ncnn21
365635756	ZINC000617434794	ref	1.94	-20.43	0	291.336	0.874	2	6	3	C[C@@H]1C[C@H](NC(=O)c2ccc(C(N)=O)s2)c2ncnn21
342595949	ZINC000616973986	ref	3.84	-16.1	0	276.38	1.453	2	2	3	O=C(CC1C2CC3CC(C2)CC1C3)N[C@@H]1CCNC1=O
342595950	ZINC000616973428	ref	2.43	-15.57	0	273.119	1.612	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(Cl)cc(Cl)c1
342595951	ZINC000616973519	ref	2.39	-20.74	0	273.119	1.612	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cccc(Cl)c1Cl
365635759	ZINC000617432921	ref	4.38	-18.3	0	272.312	0.926	2	5	2	C[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CCC3)c2ncnn21
365635763	ZINC000617432921	mid	4.44	-18.81	0	272.312	0.926	2	5	2	C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)c2ncnn21
365635766	ZINC000617432541	ref	5.04	-24.32	0	277.328	0.413	1	5	3	C[C@@H]1C[C@H](NC(=O)CN2CCCCC2=O)c2ncnn21
178305892	ZINC000001648765	ref	4.76	-9.98	0	231.299	2.747	0	4	1	Cc1cc2nn([C@H]3CCCCO3)nc2cc1C
342595952	ZINC000616974491	ref	3.51	-15.21	0	250.342	1.207	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1C1CC1
365635770	ZINC000617432878	ref	7.08	-23.09	0	283.295	0.757	1	7	2	C[C@@H]1C[C@H](NC(=O)c2cn3cccnc3n2)c2ncnn21
365635776	ZINC000617434993	ref	5.25	-22.89	0	294.355	0.984	1	6	5	C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365635784	ZINC000617434297	ref	6.34	-23.21	0	291.355	0.801	1	5	2	CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365635794	ZINC000617433582	ref	4.54	-24.11	0	278.234	0.979	1	5	4	C[C@@H]1C[C@@H](NC(=O)COCC(F)(F)F)c2ncnn21
342595953	ZINC000616974042	ref	2.67	-16.2	0	274.311	1.597	2	2	3	CCC1(C(=O)N[C@H]2CCNC2=O)CCC(F)(F)CC1
199273055	ZINC000294964152	ref	5.4	-43.37	1	264.325	2.236	2	3	5	O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H](CO)CC1
365635807	ZINC000617434609	ref	4.83	-25.13	0	260.301	0.605	1	6	3	Cc1cnn(CC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1
128584926	ZINC000336810042	ref	5.62	-8.01	0	267.413	2.728	2	2	8	C[C@H](CO)CCCNC(=O)C(C1CCC1)C1CCC1
365635813	ZINC000617431523	ref	5.32	-21.75	0	289.339	0.411	1	5	3	C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c2ncnn21
342595954	ZINC000616973827	ref	3.21	-19.51	0	288.347	1.12	2	3	3	COc1ccc2c(c1)[C@H](C(=O)N[C@@H]1CCNC1=O)CCC2
343993968	ZINC000599271055	ref	4.31	-17.12	0	282.369	1.043	0	5	3	Cc1ncc(S(=O)(=O)N2CCC(CC#N)CC2)n1C
342079227	ZINC000625301124	ref	4.62	-15.68	0	297.443	1.385	2	2	6	CC(C)[C@H]([NH2+]CC(=O)NCC(C)(C)C)C(=O)N1CCCC1
185088937	ZINC000096076146	ref	7.75	-17.46	0	288.351	0.837	0	5	2	O=C([C@@H]1CCCO1)N1CC[C@]2(CCN2c2ncccn2)C1
178302370	ZINC000082799054	ref	3.78	-44.06	1	253.433	1.541	1	3	8	CC[NH2+][C@@H](C)C[C@H](C)SCCS(C)(=O)=O
295666322	ZINC000412987432	ref	8.38	-14.39	0	303.362	2.822	0	4	3	Cc1cnc(S[C@H]2CCN(c3ccc(F)cc3)C2=O)nc1
178302372	ZINC000082802897	ref	6.13	-50.65	1	267.332	2.216	2	2	2	Cc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)n1
178302375	ZINC000082802897	high	5.28	-13.94	0	267.332	2.216	2	3	2	Cc1cccc(NC(=O)[C@@H]2CNCc3ccccc32)n1
185088940	ZINC000096078722	ref	1.79	-11.5	0	291.351	0.107	1	5	2	Cc1cccc(CN2CCOC[C@]3(CNC(=O)CO3)C2)n1
365635754	ZINC000625079671	ref	6.06	-42.89	1	311.397	2.192	3	3	9	C[N@H+](CCCOc1ccc(F)cc1)C[C@H](O)CC1(O)CCC1
365635758	ZINC000625079671	mid	6.06	-42.35	1	311.397	2.192	3	3	9	C[N@@H+](CCCOc1ccc(F)cc1)C[C@H](O)CC1(O)CCC1
365635762	ZINC000625079671	high	3.67	-6.6	0	311.397	2.192	2	4	9	CN(CCCOc1ccc(F)cc1)C[C@H](O)CC1(O)CCC1
342079228	ZINC000625301124	mid	4.62	-15.68	0	297.443	1.385	2	3	6	CC(C)[C@H](NCC(=O)NCC(C)(C)C)C(=O)N1CCCC1
342079229	ZINC000623714640	ref	3.98	-20.33	0	299.334	1.12	2	5	4	C[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCC(=O)N1
342079230	ZINC000618607175	ref	4.63	-17.84	0	262.3	1.406	1	2	6	CN(C)C(=O)CCCC(=O)NC[C@]1(C)CC1(F)F
365635767	ZINC000625078577	ref	1.9	-8.28	0	301.346	2.236	0	6	6	CCN(Cc1ccc2c(c1)OCO2)Cc1cncc(OC)n1
365635772	ZINC000625078577	mid	4.66	-45.61	1	301.346	2.236	1	5	6	CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1cncc(OC)n1
365635775	ZINC000625078577	mid	4.7	-45.56	1	301.346	2.236	1	5	6	CC[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cncc(OC)n1
342079231	ZINC000625303247	ref	7.4	-13.76	0	274.324	1.716	0	5	3	Cc1nnc2n1CCN(C(=O)C[C@@H](C)c1ccco1)C2
365635788	ZINC000625077537	ref	7.44	-12.53	0	320.437	2.025	0	6	5	CC(C)Cc1nnc(N2CC3(CCCO3)C2)n1C[C@@H]1CCCO1
365635798	ZINC000625077479	ref	5.29	-13.98	0	316.401	2.103	2	3	4	CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H](C)[C@H]1CCC(=O)N1
178302385	ZINC000082799047	ref	4.54	-44.8	1	267.46	1.931	1	3	9	CCC[NH2+][C@H](C)C[C@@H](C)SCCS(C)(=O)=O
349534875	ZINC000618813843	ref	3.95	-26.51	0	266.326	1.157	0	6	4	COc1ccsc1C(=O)N(C)Cc1cn(C)nn1
365635769	ZINC000123231845	high	3.78	-44.37	-1	290.266	2.04	0	3	3	N#CC1([N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1
342595955	ZINC000616974168	ref	6.06	-13.36	0	279.388	1.048	0	5	4	CC[C@H](C)N(CC)C(=O)[C@@H]1Cn2c(C)nnc2CN1C
342595956	ZINC000616973451	ref	4.15	-15.64	0	272.348	1.359	2	2	3	CC1(C)C[C@]1(C(=O)N[C@H]1CCNC1=O)c1ccccc1
342595957	ZINC000616973454	ref	4.17	-16.75	0	272.348	1.359	2	2	3	CC1(C)C[C@@]1(C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365635774	ZINC000123208242	ref	4.94	-12.42	0	253.371	2.18	1	4	6	C=C[C@H](C)NCc1csc(N(CC)C(C)=O)n1
214185835	ZINC000337626986	ref	3.27	-9.89	0	277.271	2.417	2	5	4	O[C@H](CCNc1ncnc2sccc12)C(F)(F)F
214185842	ZINC000337625974	ref	4.67	-43.52	1	299.415	0.511	3	3	9	CCN(CCOCCO)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1
214185845	ZINC000337625974	mid	4.6	-44.66	1	299.415	0.511	3	3	9	CCN(CCOCCO)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1
214185847	ZINC000337625627	ref	6.06	-14.45	0	293.407	2.212	1	3	9	CN(CCOCCO)C(=O)CCC(C)(C)c1ccccc1
342595958	ZINC000616974463	ref	8.31	-51.0	1	266.389	1.705	1	3	7	CC[C@@H](C)N(CC)C(=O)c1ccn(CC[NH+](C)C)n1
365635790	ZINC000123208242	low	6.13	-37.36	1	253.371	2.18	1	3	6	C=C[C@H](C)[NH2+]Cc1csc(N(CC)C(C)=O)n1
365635800	ZINC000123132570	ref	4.83	-8.67	0	285.376	2.497	0	6	2	Cc1csc(C2CCN(c3cnc(C#N)cn3)CC2)n1
365635815	ZINC000123207312	ref	9.12	-37.73	1	260.381	2.344	1	1	5	C[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccccc1
365635826	ZINC000123207312	high	6.67	-8.83	0	260.381	2.344	0	2	5	C[C@@H](C(=O)N(C)CCN1CCCC1)c1ccccc1
342595959	ZINC000616974463	high	5.85	-9.4	0	266.389	1.705	0	4	7	CC[C@@H](C)N(CC)C(=O)c1ccn(CCN(C)C)n1
192339886	ZINC000421442134	ref	5.58	-11.53	0	223.32	1.78	0	3	4	CCN(C(=O)[C@@H](C)c1ccnn1C)C(C)C
365635840	ZINC000123139031	ref	7.08	-13.74	0	297.314	2.262	0	5	4	CCN(CC#N)C(=O)c1cc(-c2ccc3c(c2)CCO3)no1
365635855	ZINC000123198098	ref	3.48	-12.77	0	291.159	2.328	1	3	3	N#CC1(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
365635868	ZINC000123198098	high	3.22	-36.72	-1	291.159	2.328	0	3	3	N#CC1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1
365635876	ZINC000123153087	ref	4.94	-12.17	0	261.293	2.307	0	2	5	C=CCCS(=O)(=O)N(C)c1ccc(F)c(F)c1
412491585	ZINC000616431794	ref	2.56	-12.59	0	319.365	0.043	2	6	5	COC[C@@]1(C(N)=O)CCCN1C(=O)c1cnc(C2CC2)nc1N
342595960	ZINC000616973973	ref	2.46	-15.24	0	299.396	1.007	1	4	7	CC[C@@H](C)N(CC)C(=O)CNS(=O)(=O)c1cccnc1
342595961	ZINC000616974417	ref	6.54	-10.72	0	294.399	1.965	0	5	7	CC[C@@H](C)N(CC)C(=O)c1cn(CC2(CC)COC2)nn1
365635777	ZINC000623068825	ref	0.53	-63.38	1	311.407	1.339	3	3	4	CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1
365635791	ZINC000623069537	ref	3.1	-41.8	1	316.224	1.945	2	3	4	O=C(NCCC1=CC[NH2+]CC1)c1ncc(Br)s1
365635809	ZINC000623069018	ref	1.6	-49.89	1	304.213	1.763	2	3	3	[NH3+]C[C@H]1CC[C@@H](NC(=O)c2ncc(Br)s2)C1
365635822	ZINC000623068252	ref	7.03	-49.59	1	311.389	1.385	2	4	3	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ncn(-c2ccccc2)n1
398249237	ZINC000651463701	ref	8.41	-43.44	1	281.346	3.355	1	1	5	CO[C@H](C1CC1)[C@H](C)[NH2+][C@H]1CCc2c(F)cc(F)cc21
365635832	ZINC000623068811	ref	4.28	-53.52	1	312.377	1.156	2	5	3	Cn1nc(C2CC2)nc1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2
365635844	ZINC000623068661	ref	-0.45	-49.76	1	317.773	1.141	3	4	6	COc1cc(OC)c(NC(=O)N(C)C[C@@H](O)C[NH3+])cc1Cl
365635851	ZINC000623067946	ref	2.44	-52.22	1	307.398	1.039	3	4	5	COCCn1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cn1
178302386	ZINC000034936037	ref	6.53	-47.9	1	247.367	2.323	1	3	1	Cc1cc2nc(N3CC[NH2+]CC3)sc2cc1C
178302390	ZINC000034936037	high	5.25	-6.87	0	247.367	2.323	1	4	1	Cc1cc2nc(N3CCNCC3)sc2cc1C
365635862	ZINC000623068824	ref	0.44	-60.38	1	311.407	1.339	3	3	4	CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1
282122657	ZINC000449153457	ref	4.85	-41.49	1	264.394	2.007	2	2	4	Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@@H]1CCCS1
282122661	ZINC000449153457	mid	4.25	-6.05	0	264.394	2.007	2	3	4	Cc1ccccc1[C@@H](N)C(=O)NC[C@@H]1CCCS1
282122666	ZINC000449154481	ref	5.6	-40.52	1	298.814	2.395	2	2	8	CCC[NH2+][C@@H](C)C(=O)NCCc1ccc(OC)cc1Cl
282122671	ZINC000449153727	ref	5.35	-43.56	1	268.332	2.362	2	2	8	CCC[NH2+][C@H](C)C(=O)Nc1cccc(OCCF)c1
282122676	ZINC000449153727	high	4.11	-12.78	0	268.332	2.362	2	3	8	CCCN[C@H](C)C(=O)Nc1cccc(OCCF)c1
282122680	ZINC000449154432	ref	4.32	-31.67	1	269.41	2.206	2	3	7	COc1cc(C)ccc1C[NH2+][C@H](C)[C@@H](CO)SC
365635873	ZINC000623068462	ref	-0.06	-48.99	1	304.35	1.065	4	3	3	CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365635883	ZINC000623068462	high	-2.01	-88.34	0	304.35	1.065	3	3	3	CC(C)(C)[C@@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
178302395	ZINC000045725733	ref	7.95	-16.56	0	238.294	2.401	0	4	1	Cc1cc2nc(N3CCC3)c3ccccc3n2n1
365635891	ZINC000623068469	ref	1.5	-51.51	1	323.397	1.143	3	4	5	Cc1nc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])oc1C
282122682	ZINC000449154432	high	3.06	-6.9	0	269.41	2.206	2	4	7	COc1cc(C)ccc1CN[C@H](C)[C@@H](CO)SC
365635778	ZINC000576597743	ref	6.27	-45.32	1	249.358	2.395	1	3	5	Cc1ncncc1[C@@H](C)[NH2+]CC[C@H]1CCCCO1
365635785	ZINC000576597743	high	5.24	-5.89	0	249.358	2.395	1	4	5	Cc1ncncc1[C@@H](C)NCC[C@H]1CCCCO1
365635792	ZINC000576598408	ref	1.42	-31.27	1	231.336	0.931	2	3	7	COCCOC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1O
365635801	ZINC000576598905	ref	5.32	-6.51	0	235.375	3.085	2	1	3	Cc1nc(C[NH2+][C@@H]2CCC[C@H](C)CC2)[nH]c1C
342595962	ZINC000616974371	ref	5.4	-15.26	0	270.373	1.007	1	3	5	CC[C@@H](C)N(CC)C(=O)CN1CCCC[C@@H](O)C1=O
342595963	ZINC000616973997	ref	3.3	-16.58	0	250.342	1.352	2	2	2	O=C(N[C@@H]1CCNC1=O)C1CC2(CCCCC2)C1
365635814	ZINC000576598905	high	5.32	-6.51	0	235.375	3.085	2	2	3	Cc1nc(CN[C@@H]2CCC[C@H](C)CC2)[nH]c1C
365635821	ZINC000576596676	ref	2.38	-13.16	0	212.249	1.601	1	4	5	CCCc1coc(NC(=O)[C@@H](C)OC)n1
197593356	ZINC000162805700	ref	6.31	-41.85	1	318.461	2.677	2	2	7	CCCC[C@@H](C[NH3+])NC(=O)C1(c2ccc(C)cc2)CCOCC1
342595964	ZINC000367700654	ref	2.17	-13.32	0	266.301	1.153	1	6	4	CO/N=C/C(=O)NC1CCC(c2nc(C)no2)CC1
412491692	ZINC000655153973	ref	-0.51	-18.37	0	255.318	0.141	3	3	6	C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)NC(N)=O
365635845	ZINC000576596859	ref	0.77	-53.05	1	246.332	-0.487	1	3	2	[NH3+]C[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O
342595965	ZINC000616974275	ref	4.84	-11.12	0	263.341	1.75	1	3	5	CC[C@H](C)N(CC)C(=O)c1cc(C)c(C(N)=O)cn1
342595966	ZINC000616973520	ref	2.39	-20.75	0	273.119	1.612	2	2	2	O=C(N[C@H]1CCNC1=O)c1cccc(Cl)c1Cl
365635850	ZINC000576596859	high	0.44	-18.57	0	246.332	-0.487	1	4	2	NC[C@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O
365635857	ZINC000576597451	ref	6.11	-50.43	1	247.264	2.634	1	2	4	Cc1ncncc1[C@@H](C)[NH2+]C[C@H](C)C(F)(F)F
365635864	ZINC000576597451	high	5.11	-6.17	0	247.264	2.634	1	3	4	Cc1ncncc1[C@@H](C)NC[C@H](C)C(F)(F)F
349534876	ZINC000093284132	low	2.55	-41.85	1	290.371	0.981	2	5	5	CCc1nc(CN2CC[NH+](Cc3c[nH]nc3C)CC2)no1
365635870	ZINC000576596681	ref	2.37	-13.15	0	212.249	1.601	1	4	5	CCCc1coc(NC(=O)[C@H](C)OC)n1
199273057	ZINC000294964152	high	4.23	-8.29	0	264.325	2.236	2	4	5	O=[N+]([O-])c1ccccc1CN[C@@H]1CC[C@@H](CO)CC1
365635879	ZINC000576599121	ref	6.83	-11.19	0	210.306	1.847	0	5	4	Cn1ncnc1SCC(C)(C)CC#N
342595967	ZINC000616976547	ref	2.31	-8.33	0	264.391	1.091	1	3	7	CCC[C@H](C(=O)N(CC)[C@@H](C)CC)S(N)(=O)=O
365635886	ZINC000576598721	ref	9.74	-89.32	2	246.398	3.659	1	1	10	C=CCCCCC[NH2+]CCCc1ccc(C)nc1
365635901	ZINC000576598721	low	9.74	-89.32	2	246.398	3.659	1	0	10	C=CCCCCC[NH2+]CCCc1ccc(C)[nH+]c1
365639469	ZINC000343900488	ref	0.97	-10.79	0	216.281	0.135	1	4	7	CCOC(=O)[C@@H](CC)N(C)CCC(N)=O
342079232	ZINC000625301698	ref	5.47	-43.24	1	282.359	1.873	2	2	7	CNC(=O)[C@@H]([NH2+]C[C@@H](OC)c1ccc(F)cc1)C(C)C
342079233	ZINC000625301698	high	4.48	-7.18	0	282.359	1.873	2	3	7	CNC(=O)[C@@H](NC[C@@H](OC)c1ccc(F)cc1)C(C)C
214185853	ZINC000337626508	ref	8.44	-12.45	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@H]2CCC[C@@H]2C)n1
365635779	ZINC000641603763	ref	1.33	-12.65	0	297.367	1.358	2	3	6	CC1(C)[C@@H](CS(=O)(=O)N[C@@H](CO)C2CCC2)C1(F)F
299072222	ZINC000459275481	ref	10.4	-43.44	1	321.44	2.943	2	1	7	CC(C)[C@@H]1C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F
178302392	ZINC000082802915	ref	7.39	-49.46	1	280.371	2.232	2	1	4	O=C(NCCc1ccccc1)[C@@H]1C[NH2+]Cc2ccccc21
178302393	ZINC000082802915	high	5.91	-10.38	0	280.371	2.232	2	2	4	O=C(NCCc1ccccc1)[C@@H]1CNCc2ccccc21
365635787	ZINC000641603326	ref	5.44	-11.34	0	295.408	1.756	0	5	3	CC[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@H](C)S1(=O)=O
365635796	ZINC000641603586	ref	1.98	-14.25	0	291.413	1.147	1	4	7	CO[C@@H](CNS(=O)(=O)CC1(C)CCC1)[C@@H]1CCOC1
365635804	ZINC000160975773	ref	5.7	-73.93	0	285.388	1.415	3	3	8	C[NH+](C)C1(CNC(=O)NCCCCC(=O)[O-])CCCC1
365635818	ZINC000641603280	ref	3.84	-8.74	0	255.358	1.421	1	3	6	CC(C)C[C@H](C)OCCC(=O)N1C[C@@H]2C[C@]2(O)C1
365635825	ZINC000641603240	ref	2.26	-12.85	0	260.318	1.503	1	4	1	O=C(c1cnc2ccsc2c1)N1C[C@H]2C[C@@]2(O)C1
365635834	ZINC000641603662	ref	1.33	-13.73	0	297.367	1.358	2	3	6	CC1(C)[C@H](CS(=O)(=O)N[C@@H](CO)C2CCC2)C1(F)F
365635841	ZINC000641603764	ref	1.35	-13.51	0	297.367	1.358	2	3	6	CC1(C)[C@H](CS(=O)(=O)N[C@H](CO)C2CCC2)C1(F)F
398249239	ZINC000650874490	ref	6.67	-12.45	0	265.284	1.785	0	3	1	C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N1CC[C@H](F)C1
365635847	ZINC000641603555	ref	2.45	-43.95	1	267.373	1.164	3	2	5	CC[C@]1(NC(=O)NCCC2=CC[NH2+]CC2)CCOC1
365635856	ZINC000641603615	ref	6.51	-46.9	1	289.383	1.685	3	4	7	CCC[N@H+](CC)C[C@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365635863	ZINC000641603615	mid	6.42	-46.77	1	289.383	1.685	3	4	7	CCC[N@@H+](CC)C[C@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365635869	ZINC000641603622	ref	0.82	-10.47	0	283.34	1.112	2	3	6	C[C@@]1(CS(=O)(=O)N[C@@H](CO)C2CCC2)CC1(F)F
365635880	ZINC000641603010	ref	3.8	-8.07	0	250.327	1.422	1	6	5	COCc1nc(CNc2ncncc2C)cs1
365635895	ZINC000641603599	ref	2.6	-16.14	0	299.33	1.657	1	6	5	COc1ccc(CNc2ccc3c(n2)C(=O)CC3)c(OC)n1
365635899	ZINC000641603709	ref	-1.59	-43.25	-1	255.362	1.855	1	4	6	CCC(C)(C)c1n[n-]c(=NC[C@@H](CO)C(C)C)o1
365635780	ZINC000354709143	ref	4.49	-8.86	0	265.3	1.934	1	3	6	CC(C)O[C@@H]1C[C@H](NC(=O)COC(F)F)C1(C)C
365635789	ZINC000354708976	ref	4.55	-9.14	0	265.3	1.935	1	3	6	CC(C)C[C@H]1C[C@H](NC(=O)COC(F)F)CCO1
282122660	ZINC000424473672	ref	5.28	-49.26	-1	322.409	1.741	2	7	8	CCC(CC)(CNc1cc(N2CCC[C@H]2CO)ncn1)C(=O)[O-]
282122669	ZINC000424473672	low	5.73	-43.01	0	322.409	1.741	2	6	8	CCC(CC)(CNc1cc(N2CCC[C@H]2CO)nc[nH+]1)C(=O)[O-]
365635802	ZINC000354709409	ref	6.41	-12.02	0	282.315	1.824	1	4	5	COC(=O)c1ccc(C(=O)NCCC2(F)CCC2)n1C
365635816	ZINC000354708361	ref	3.97	-8.09	0	291.395	1.881	0	5	4	COc1c(CN2C[C@]3(CCCO3)[C@H]2C2CC2)c(C)nn1C
365635824	ZINC000354708361	low	6.58	-33.87	1	291.395	1.881	1	4	4	COc1c(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(C)nn1C
365635831	ZINC000354708361	low	5.91	-31.06	1	291.395	1.881	1	4	4	COc1c(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)c(C)nn1C
398249240	ZINC000651463701	high	7.51	-2.77	0	281.346	3.355	1	2	5	CO[C@H](C1CC1)[C@H](C)N[C@H]1CCc2c(F)cc(F)cc21
365635837	ZINC000354708231	ref	3.93	-9.41	0	280.324	1.029	2	4	5	CCc1[nH]ccc1C(=O)N[C@]1(CC(=O)OC)CCOC1
365635849	ZINC000354709433	ref	1.09	-11.59	0	272.389	1.197	3	3	5	C[C@@H](CO)CCCNC(=O)N1CC[C@@H](O)C(C)(C)C1
365635858	ZINC000354709111	ref	3.77	-8.34	0	287.294	1.548	2	4	3	CNc1ccc(C(=O)N[C@@H]2COc3ccc(F)cc32)cn1
365635872	ZINC000354709033	ref	6.69	-8.79	0	288.395	1.686	0	5	4	CN(C)c1nccc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1
365635881	ZINC000354709033	low	9.27	-34.63	1	288.395	1.686	1	4	4	CN(C)c1nccc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1
365635887	ZINC000354709033	low	9.69	-35.71	1	288.395	1.686	1	4	4	CN(C)c1nccc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)n1
365635892	ZINC000354708838	ref	3.96	-17.44	0	273.398	1.504	1	3	4	C[C@@H]1C[C@H]1CC(=O)NC1CCC(S(C)(=O)=O)CC1
365635906	ZINC000354708783	ref	4.02	-45.17	1	295.427	1.186	3	2	5	C[C@@H]1[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCC[C@H]1C
365635917	ZINC000354721305	ref	7.04	-43.84	1	290.407	1.438	3	2	7	C[C@@H](CNC(=O)[C@@H](O)Cc1ccccc1)C[NH+]1CCCC1
365635938	ZINC000354709896	ref	5.38	-11.09	0	294.395	1.76	1	4	8	CCc1c(C(=O)NCCCOC[C@H]2CCOC2)ccn1C
365635953	ZINC000354708769	ref	5.35	-10.14	0	297.349	1.975	0	3	4	CCc1ccc(C(=O)N2CCN(CC(F)F)CC2)c(C)n1
349534879	ZINC000618814146	ref	5.89	-23.39	0	268.361	1.225	0	5	7	CC(C)CCO[C@H](C)C(=O)N(C)Cc1cn(C)nn1
365635965	ZINC000354708713	ref	5.68	-13.98	0	263.341	1.255	0	4	3	COC[C@H]1CCN(C(=O)[C@H]2CCCc3nccn32)C1
365635781	ZINC000274361025	ref	4.65	-15.28	0	287.323	1.815	2	7	6	CCc1nnc2ccc(N[C@H](CCO)c3ccco3)nn12
365635786	ZINC000274360972	ref	3.51	-48.22	1	296.802	1.392	2	4	8	CCN(CCO)CC[NH2+]Cc1cnc2ccc(Cl)cn12
365635793	ZINC000274360972	mid	4.24	-38.26	1	296.802	1.392	3	4	8	CC[N@H+](CCO)CCNCc1cnc2ccc(Cl)cn12
365635799	ZINC000274360972	mid	4.25	-38.5	1	296.802	1.392	3	4	8	CC[N@@H+](CCO)CCNCc1cnc2ccc(Cl)cn12
365635805	ZINC000274360972	high	2.13	-7.12	0	296.802	1.392	2	5	8	CCN(CCO)CCNCc1cnc2ccc(Cl)cn12
365635812	ZINC000274360911	ref	4.36	-9.63	0	292.412	1.113	0	7	5	C[C@H](c1nccs1)N1CCN(CCn2cncn2)CC1
365635823	ZINC000274360911	low	6.62	-45.64	1	292.412	1.113	1	6	5	C[C@H](c1nccs1)N1CC[NH+](CCn2cncn2)CC1
365635830	ZINC000637720249	ref	6.26	-13.41	0	296.411	1.565	1	3	4	CC(=O)NC[C@@H]1CCCCN1C(=O)[C@H]1OCC[C@H]1C(C)C
365635839	ZINC000274363323	ref	2.91	-12.21	0	287.381	1.548	1	5	11	COCCOCCOCCCNC(=O)c1ccsc1
365635848	ZINC000274363064	ref	0.64	-8.31	0	299.396	1.133	2	5	4	Cc1ncc(CNC(=O)N2CCOC[C@@H]2C[C@H](C)O)s1
365635859	ZINC000274360833	ref	2.72	-20.81	0	298.408	1.42	1	4	7	COc1cc(C)nc(C[S@@](=O)CC(=O)NCC(C)C)c1
365635867	ZINC000637720242	ref	6.43	-14.67	0	296.411	1.565	1	3	4	CC(=O)NC[C@H]1CCCCN1C(=O)[C@H]1OCC[C@H]1C(C)C
365635877	ZINC000274360831	ref	2.72	-23.66	0	298.408	1.42	1	4	7	COc1cc(C)nc(C[S@](=O)CC(=O)NCC(C)C)c1
178302388	ZINC000237215870	ref	7.4	-58.27	1	353.444	1.952	2	5	8	COc1ccc(CSCC(=O)NC[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-]
178302391	ZINC000237204764	ref	5.49	-90.52	2	362.503	1.605	3	5	6	Cc1c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)nnn1C1CC[NH2+]CC1
365635885	ZINC000274361556	ref	1.71	-12.45	0	294.351	1.854	2	4	6	COCCCNC(=O)N[C@H]1CCOc2ccc(OC)cc21
365635902	ZINC000274361655	ref	2.67	-14.4	0	287.319	1.15	2	3	2	C[C@H](NC(N)=O)C(=O)N1C[C@H]2CCC(=O)c3cccc1c32
178302394	ZINC000237204764	mid	3.78	-51.26	1	362.503	1.605	2	6	6	Cc1c(C(=O)NC[C@H](c2cccs2)N(C)C)nnn1C1CC[NH2+]CC1
282122664	ZINC000151667959	ref	2.02	-12.1	0	317.389	2.268	2	6	8	COc1cc([C@H](C)N[C@@H](C)c2cnccn2)ccc1OCCO
282122672	ZINC000151667959	mid	2.98	-47.02	1	317.389	2.268	2	5	8	COc1cc([C@H](C)[NH2+][C@@H](C)c2cnccn2)ccc1OCCO
365635913	ZINC000274363384	ref	3.48	-15.16	0	286.339	1.885	3	5	7	O=C(NCCCCNc1ccccn1)Nc1cncnc1
349534881	ZINC000093278300	ref	-0.45	-14.32	0	270.333	0.457	3	5	5	CC(C)(C)n1cc(NC(=O)N(CCO)CCO)cn1
365635803	ZINC000172904893	ref	2.35	-15.02	0	287.385	1.441	1	5	5	CCn1nc(C)c(NS(=O)(=O)C[C@@H]2CCCO2)c1C
342079234	ZINC000625301190	ref	4.33	-48.59	1	274.368	1.461	2	4	8	Cn1cc(CC[NH2+][C@H](CCCO)c2ccccc2)nn1
365635811	ZINC000172904893	mid	2.61	-49.64	-1	287.385	1.441	0	5	5	CCn1nc(C)c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1C
342079235	ZINC000625301727	ref	3.01	-44.87	1	287.385	1.036	2	4	8	O=S(=O)(CCOCC1CCCC1)NCc1c[nH]cn1
365639237	ZINC000336555868	high	5.1	-7.68	0	262.353	2.287	0	3	2	Cc1occc1C(=O)N1C[C@H](N2CCCC2)C[C@@H]1C
365639243	ZINC000336555662	ref	5.49	-38.35	1	253.415	2.224	1	3	3	Cc1csc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)n1
365639248	ZINC000336555662	mid	5.05	-39.18	1	253.415	2.224	1	3	3	Cc1csc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)n1
365639253	ZINC000336555662	low	7.41	-99.8	2	253.415	2.224	2	2	3	Cc1csc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)n1
365639256	ZINC000336555662	low	6.96	-100.14	2	253.415	2.224	2	2	3	Cc1csc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)n1
365639261	ZINC000336555662	low	7.41	-99.8	2	253.415	2.224	2	2	3	Cc1csc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)n1
365639265	ZINC000336555662	low	7.62	-98.67	2	253.415	2.224	2	2	3	Cc1csc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)n1
365639271	ZINC000336555323	ref	6.09	-9.99	0	281.396	2.411	1	3	3	O=C(C[C@@H]1CCCCO1)N[C@@H]1CCCC12CCOCC2
365639277	ZINC000336555675	ref	6.16	-36.85	1	253.415	2.224	1	3	3	Cc1ncc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1
365639280	ZINC000336555675	mid	6.01	-38.99	1	253.415	2.224	1	3	3	Cc1ncc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1
365639283	ZINC000336555675	mid	5.98	-35.76	1	253.415	2.224	1	3	3	Cc1ncc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)s1
178302396	ZINC000082799067	ref	5.53	-40.24	1	260.432	2.083	1	5	6	C[NH2+][C@H](C)C[C@@H](C)Sc1nnc(N(C)C)s1
342079236	ZINC000625301727	mid	3.0	-45.04	1	287.385	1.036	2	4	8	O=S(=O)(CCOCC1CCCC1)NCc1cnc[nH]1
342079237	ZINC000625301727	low	3.01	-44.87	1	287.385	1.036	2	3	8	O=S(=O)(CCOCC1CCCC1)NCc1c[nH+]c[nH]1
342079238	ZINC000625301727	low	3.0	-45.04	1	287.385	1.036	2	3	8	O=S(=O)(CCOCC1CCCC1)NCc1c[nH]c[nH+]1
342079239	ZINC000625302508	ref	7.21	-9.62	0	258.329	1.677	1	5	5	CN(c1nnc(-c2cn[nH]c2)n1CC1CC1)C1CC1
342079240	ZINC000625301436	ref	3.84	-13.14	0	265.338	1.451	2	3	5	CCc1ccccc1S(=O)(=O)NCc1c[nH]cn1
342079241	ZINC000625301436	mid	4.35	-43.51	1	265.338	1.451	2	3	5	CCc1ccccc1S(=O)(=O)NCc1cnc[nH]1
178302397	ZINC000237214736	ref	5.03	-48.75	1	353.488	1.333	2	3	7	C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1
178302400	ZINC000237222177	ref	5.38	-45.06	1	356.382	1.791	2	4	3	CN(C(=O)c1cc(=O)[nH]c2ccc([N+](=O)[O-])cc12)C1C[C@@H]2CC[C@H](C1)[NH2+]2
282122668	ZINC000533470078	high	2.31	-8.0	0	283.416	1.271	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1
178302404	ZINC000237218479	ref	3.95	-57.93	1	352.482	1.864	3	2	6	C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]([NH3+])c3ccccc3)c2)CC1
178302409	ZINC000237218479	mid	3.59	-10.92	0	352.482	1.864	2	3	6	CN1CCN(Cc2cccc(C(=O)NC[C@H]([NH3+])c3ccccc3)c2)CC1
178302410	ZINC000237218479	high	3.59	-10.92	0	352.482	1.864	2	4	6	CN1CCN(Cc2cccc(C(=O)NC[C@H](N)c3ccccc3)c2)CC1
178302412	ZINC000237219053	ref	8.33	-51.9	1	362.386	1.493	1	6	7	C[NH2+]C[C@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21
349534882	ZINC000602431201	ref	5.19	-35.91	1	249.358	1.669	1	2	3	CCC(C#N)(CC)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2
349534886	ZINC000602430388	ref	8.11	-41.15	1	217.316	2.575	1	2	6	CCC[NH+](CCC)Cc1cccc(C#N)n1
349534890	ZINC000602430388	high	5.57	-7.93	0	217.316	2.575	0	3	6	CCCN(CCC)Cc1cccc(C#N)n1
282122673	ZINC000533470417	ref	3.95	-8.49	0	272.414	1.684	2	3	2	C[C@@H](O)[C@H]1CCCN(C(=O)NC2CCSCC2)C1
282122678	ZINC000533471209	ref	4.39	-12.47	0	291.395	1.815	2	3	4	C[C@H](Cc1ccncc1)NC(=O)N1CCC[C@@H]([C@@H](C)O)C1
349534895	ZINC000602430727	ref	3.51	-36.95	1	230.308	0.298	2	3	6	CC[NH2+][C@@H](C)C(=O)N[C@H](C(=O)OC)C(C)C
349534898	ZINC000602430727	high	2.37	-6.13	0	230.308	0.298	2	4	6	CCN[C@@H](C)C(=O)N[C@H](C(=O)OC)C(C)C
398249241	ZINC000649443258	ref	3.72	-40.77	1	233.311	1.824	2	2	5	OCCCOc1ccccc1C1=CC[NH2+]CC1
398249244	ZINC000649443207	ref	6.01	-45.26	1	246.354	3.027	1	2	6	CCCCCOc1ccc(C2=CC[NH2+]CC2)cn1
178302415	ZINC000237200450	ref	2.29	-16.27	0	368.865	1.213	2	5	5	COc1cc(N)c(Cl)cc1C(=O)N1CCN(CC(=O)NC(C)C)CC1
365635808	ZINC000625077290	ref	8.62	-11.97	0	314.38	2.493	0	5	3	Cc1nnc(N2C[C@H](C)C(F)(F)[C@H](C)C2)n1C[C@@H]1CCCO1
365635817	ZINC000625079125	ref	4.03	-11.13	0	321.508	2.397	1	4	5	CCC(C)(C)CS(=O)(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1
282122683	ZINC000533470143	ref	4.26	-7.88	0	254.374	1.835	2	2	3	C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@H]2CC2(C)C)C1
349534903	ZINC000258905819	ref	5.59	-42.59	1	235.371	2.658	2	1	6	Cc1ccc(C[NH2+]C[C@@H](CO)C(C)C)cc1C
398249246	ZINC000649443101	ref	6.06	-7.4	0	241.29	2.83	0	3	3	COCc1cccc(-c2ccc3c(c2)CCO3)n1
282122674	ZINC000424473672	low	5.43	-48.28	0	322.409	1.741	2	6	8	CCC(CC)(CNc1cc(N2CCC[C@H]2CO)[nH+]cn1)C(=O)[O-]
306234675	ZINC000557898187	ref	7.37	-23.12	0	331.372	1.885	0	6	6	C[C@@H](OCC(=O)N(C)Cc1ccc2c(c1)OCO2)c1nccn1C
365635820	ZINC000617433742	ref	5.79	-20.18	0	250.302	0.825	1	5	4	CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365635827	ZINC000617435006	ref	5.67	-43.8	1	251.334	0.74	2	4	4	CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365635836	ZINC000617435006	mid	5.66	-44.46	1	251.334	0.74	2	4	4	CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365635842	ZINC000617435006	high	3.44	-16.4	0	251.334	0.74	1	5	4	CC(C)N(C)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365635853	ZINC000617432538	ref	5.05	-20.44	0	277.328	0.413	1	5	3	C[C@@H]1C[C@@H](NC(=O)CN2CCCCC2=O)c2ncnn21
343993969	ZINC000079919192	low	7.15	-32.46	1	259.353	2.292	1	3	7	CCn1cc[nH+]c1CN(CCCO)c1ccccc1
343993971	ZINC000079909862	ref	3.94	-11.89	0	292.36	2.277	1	4	5	C[C@H]1C[C@@H]1c1ccc(CNS(=O)(=O)c2cccnc2)o1
365635860	ZINC000617432881	ref	7.1	-22.73	0	283.295	0.757	1	7	2	C[C@@H]1C[C@@H](NC(=O)c2cn3cccnc3n2)c2ncnn21
365635865	ZINC000617435004	ref	5.68	-44.93	1	251.334	0.74	2	4	4	CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365635871	ZINC000617435004	mid	5.67	-45.54	1	251.334	0.74	2	4	4	CC(C)[N@@H+](C)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
349534883	ZINC000618814113	ref	6.41	-21.18	0	258.325	1.325	0	4	4	Cc1ccccc1CC(=O)N(C)Cc1cn(C)nn1
365635875	ZINC000617435004	high	3.46	-16.96	0	251.334	0.74	1	5	4	CC(C)N(C)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365635884	ZINC000617435115	ref	5.44	-20.29	0	250.302	0.993	1	5	6	C=CCCOCC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365635890	ZINC000617435118	ref	5.43	-19.44	0	250.302	0.993	1	5	6	C=CCCOCC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365635894	ZINC000617434610	ref	4.83	-22.99	0	260.301	0.605	1	6	3	Cc1cnn(CC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1
365635900	ZINC000617435005	ref	5.67	-44.45	1	251.334	0.74	2	4	4	CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365635908	ZINC000617435005	mid	5.66	-43.82	1	251.334	0.74	2	4	4	CC(C)[N@@H+](C)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365635914	ZINC000617435005	high	3.44	-16.14	0	251.334	0.74	1	5	4	CC(C)N(C)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365635921	ZINC000617433366	ref	2.86	-29.32	0	285.307	0.813	2	5	3	C[C@H]1C[C@H](NC(=O)c2cccc(C(N)=O)c2)c2ncnn21
365635929	ZINC000617435246	ref	4.32	-19.03	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)nn1C
282122677	ZINC000151680506	ref	7.67	-6.12	0	306.41	2.125	1	4	6	CC(C)CN(C(=O)C(=O)Nc1ccnn1CC(C)C)C1CC1
255763865	ZINC000273564071	ref	7.12	-41.54	1	373.472	2.68	4	2	9	C[NH+](C)Cc1cc(CNC(=O)NC[C@H](O)CCc2ccccc2)ccc1F
365635828	ZINC000625076542	ref	7.81	-18.6	0	318.417	2.026	1	3	6	Cc1ccccc1CO[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1
365635838	ZINC000625076940	ref	4.37	-8.87	0	312.373	2.334	2	5	4	CCc1cccc2c1OCC[C@@H]2NC(=O)c1cnc(NC)cn1
342079242	ZINC000625301436	low	4.34	-43.59	1	265.338	1.451	2	2	5	CCc1ccccc1S(=O)(=O)NCc1c[nH+]c[nH]1
365635846	ZINC000625079630	ref	7.8	-46.19	1	314.433	2.408	2	4	6	Cn1cc(CC[NH+]2CCC(CCc3ccc(O)cc3)CC2)nn1
365635854	ZINC000625079630	high	5.4	-12.28	0	314.433	2.408	1	5	6	Cn1cc(CCN2CCC(CCc3ccc(O)cc3)CC2)nn1
365635866	ZINC000625076922	ref	6.39	-12.73	0	302.365	2.327	1	2	4	CC(C)N1C[C@@H](NC(=O)CC2CCC(F)(F)CC2)CC1=O
365635878	ZINC000625075108	ref	6.39	-13.1	0	314.389	2.034	1	6	3	Cc1nnc(N2CCc3c(O)cccc3C2)n1C[C@@H]1CCCO1
365635888	ZINC000625077461	ref	1.93	-8.1	0	302.33	2.499	1	5	4	CCc1cccc2c1OCC[C@@H]2NC(=O)c1coc(OC)n1
342079243	ZINC000625301436	low	4.34	-43.59	1	265.338	1.451	2	2	5	CCc1ccccc1S(=O)(=O)NCc1c[nH]c[nH+]1
342079244	ZINC000625301701	ref	3.67	-45.88	1	257.359	1.409	2	3	6	O=S(=O)(CCC1CCCC1)NCc1c[nH]cn1
342079245	ZINC000625301701	mid	3.65	-45.97	1	257.359	1.409	2	3	6	O=S(=O)(CCC1CCCC1)NCc1cnc[nH]1
365635898	ZINC000625077231	ref	3.13	-7.81	0	319.434	2.424	0	7	4	Cc1csc(N2CCN(Cc3noc(C4CCC4)n3)CC2)n1
342079246	ZINC000625301701	low	3.67	-45.88	1	257.359	1.409	2	2	6	O=S(=O)(CCC1CCCC1)NCc1c[nH+]c[nH]1
282122686	ZINC000151680404	ref	6.91	-18.34	0	309.37	2.011	1	5	6	CC(C)C[C@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1
342079247	ZINC000625301701	low	3.65	-45.97	1	257.359	1.409	2	2	6	O=S(=O)(CCC1CCCC1)NCc1c[nH]c[nH+]1
342079248	ZINC000625302768	ref	2.97	-38.59	1	277.368	1.876	1	4	4	COc1cncc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)n1
342079249	ZINC000625302768	mid	4.39	-39.13	1	277.368	1.876	1	4	4	COc1cncc(C[N@H+]2CCC[C@@H]2C2CCOCC2)n1
342079250	ZINC000625302768	high	0.58	-6.03	0	277.368	1.876	0	5	4	COc1cncc(CN2CCC[C@@H]2C2CCOCC2)n1
342079251	ZINC000077846903	ref	1.28	-6.8	0	282.315	1.287	3	3	4	CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1F
365635852	ZINC000336552390	ref	3.47	-9.72	0	291.307	2.19	1	4	1	Cc1ncc(C(=O)N2CC(=O)Nc3c(F)cccc32)s1
365635861	ZINC000336552953	ref	3.44	-3.99	0	267.394	2.427	1	4	3	OC1(CN2CCO[C@@H](c3ccsc3)C2)CCCC1
295666848	ZINC000413368888	ref	5.77	-12.23	0	306.431	2.4	2	3	3	O=C(NC[C@@H]1CCCS1)N1C[C@@H](O)C[C@@H]1c1ccccc1
365635874	ZINC000336552953	mid	5.08	-35.25	1	267.394	2.427	2	3	3	OC1(C[N@@H+]2CCO[C@@H](c3ccsc3)C2)CCCC1
365635882	ZINC000336552953	mid	5.5	-35.73	1	267.394	2.427	2	3	3	OC1(C[N@H+]2CCO[C@@H](c3ccsc3)C2)CCCC1
365635889	ZINC000336552114	ref	8.88	-9.41	0	284.363	2.249	0	4	2	CC1=C[C@H](C)CN(C(=O)c2cnn(C)c2-n2cccc2)C1
365635896	ZINC000336552900	ref	6.13	-35.25	1	252.383	2.452	1	3	2	Cc1ncc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)s1
365635904	ZINC000336552900	mid	5.82	-36.87	1	252.383	2.452	1	3	2	Cc1ncc(C[N@H+]2CCC[C@H]3COCC[C@H]32)s1
178302401	ZINC000071476532	ref	6.35	-5.6	0	244.125	3.468	0	3	1	Cc1cc2nc(Cl)c(C(C)C)c(Cl)n2n1
365635911	ZINC000336552900	high	3.69	-4.36	0	252.383	2.452	0	4	2	Cc1ncc(CN2CCC[C@H]3COCC[C@H]32)s1
365635919	ZINC000336553600	ref	4.62	-4.65	0	291.317	2.438	0	4	2	C[C@@H]1N(Cc2cnn(C)c2C(F)(F)F)CCOC1(C)C
365635928	ZINC000336553631	ref	6.33	-44.76	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)[nH]n1
365635935	ZINC000336553631	mid	6.8	-43.66	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)[nH]n1
365635941	ZINC000336553631	mid	6.24	-38.5	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@H+](C[C@H]3CCCOC3)C2)n[nH]1
365635945	ZINC000336553631	mid	6.72	-37.57	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@@H+](C[C@H]3CCCOC3)C2)n[nH]1
178302407	ZINC000029417256	ref	3.81	-12.23	0	230.271	2.038	1	5	3	Cc1cc2nc(N(N)CCC#N)oc2cc1C
365635955	ZINC000336552901	ref	5.75	-36.46	1	252.383	2.452	1	3	2	Cc1ncc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)s1
365635964	ZINC000336552901	mid	6.2	-35.38	1	252.383	2.452	1	3	2	Cc1ncc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)s1
190493772	ZINC000269430636	ref	10.29	-10.85	0	298.368	2.413	0	7	7	COCCN(CC(C)C)c1nc2sccn2c1[N+](=O)[O-]
365635970	ZINC000336552901	high	3.48	-4.11	0	252.383	2.452	0	4	2	Cc1ncc(CN2CCC[C@@H]3COCC[C@@H]32)s1
365635978	ZINC000336553187	ref	2.81	-8.53	0	289.354	2.176	1	4	3	Cc1c(CN2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C
365635990	ZINC000336553187	mid	5.06	-41.8	1	289.354	2.176	2	3	3	Cc1c(C[N@@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C
365635996	ZINC000336553187	mid	6.05	-43.15	1	289.354	2.176	2	3	3	Cc1c(C[N@H+]2C[C@H](O)C[C@@H]2c2ccc(F)cc2)cnn1C
365635893	ZINC000123174183	ref	6.67	-43.2	1	282.409	2.034	2	3	5	C[C@@H]1CC[C@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)O1
282122679	ZINC000321725887	ref	9.1	-49.16	-1	317.345	3.446	1	6	7	CCC(CC)(CNc1ccc2cc([N+](=O)[O-])ccc2n1)C(=O)[O-]
282122690	ZINC000336871078	ref	8.58	-53.6	-1	317.345	3.446	1	6	7	CCC(CC)(CNc1ccc2ncccc2c1[N+](=O)[O-])C(=O)[O-]
365635905	ZINC000123174183	mid	4.05	-10.7	0	282.409	2.034	1	4	5	C[C@@H]1CC[C@H](C(=O)NC[C@@H](c2cccs2)N(C)C)O1
365635915	ZINC000123130657	ref	2.47	-14.08	0	267.354	2.02	1	5	5	CC[C@@](C)(C#N)NC(=O)c1sc(COC)nc1C
365635926	ZINC000123172161	ref	4.33	-14.74	0	279.727	2.005	2	3	3	Cc1ccc(NC(=O)C(=O)N[C@H](C)CC#N)cc1Cl
192339888	ZINC000421439643	ref	5.82	-9.76	0	219.275	2.583	1	1	4	CC[C@H](C)[C@H](C)NC(=O)[C@]1(C)CC1(F)F
192339892	ZINC000421444673	ref	6.93	-8.43	0	245.322	2.29	1	2	5	Cc1ccccc1OCCNC(=O)[C@@H]1CC12CC2
342079252	ZINC000625301783	ref	3.17	-49.58	1	295.364	1.176	2	4	7	COCc1ccccc1CS(=O)(=O)NCc1c[nH]cn1
342079253	ZINC000625301783	mid	3.15	-49.76	1	295.364	1.176	2	4	7	COCc1ccccc1CS(=O)(=O)NCc1cnc[nH]1
178302411	ZINC000082802939	ref	8.6	-56.95	1	292.382	2.458	1	1	1	O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1
178302413	ZINC000082802939	high	7.11	-9.49	0	292.382	2.458	1	2	1	O=C([C@@H]1CNCc2ccccc21)N1CCc2ccccc2C1
365635936	ZINC000123201525	ref	5.14	-13.76	0	291.62	2.124	2	4	2	O=C(Nc1nn[nH]n1)c1ccc(Cl)c(C(F)(F)F)c1
185088942	ZINC000096078722	mid	3.17	-45.36	1	291.351	0.107	2	4	2	Cc1cccc(C[N@@H+]2CCOC[C@]3(CNC(=O)CO3)C2)n1
365635949	ZINC000123201525	mid	5.21	-42.33	-1	291.62	2.124	1	4	2	O=C(Nc1nnn[n-]1)c1ccc(Cl)c(C(F)(F)F)c1
178302416	ZINC000082802902	ref	4.95	-52.7	1	270.336	0.923	2	3	3	Cn1ccnc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21
178302418	ZINC000082802902	low	5.43	-91.77	2	270.336	0.923	2	2	3	Cn1cc[nH+]c1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21
168364842	ZINC000368496761	mid	7.7	-9.54	0	338.224	3.411	1	3	4	Fc1cc(CNCc2cnc3n2CCCC3)ccc1Br
168364845	ZINC000368496761	low	9.54	-116.51	2	338.224	3.411	1	1	4	Fc1cc(C[NH2+]Cc2c[nH+]c3n2CCCC3)ccc1Br
185088944	ZINC000096078722	mid	3.97	-45.42	1	291.351	0.107	2	4	2	Cc1cccc(C[N@H+]2CCOC[C@]3(CNC(=O)CO3)C2)n1
365635956	ZINC000123201525	mid	5.2	-42.23	-1	291.62	2.124	1	4	2	O=C(Nc1nn[n-]n1)c1ccc(Cl)c(C(F)(F)F)c1
342079254	ZINC000625301783	low	3.17	-49.58	1	295.364	1.176	2	3	7	COCc1ccccc1CS(=O)(=O)NCc1c[nH+]c[nH]1
365635897	ZINC000623068050	ref	3.78	-8.7	0	315.377	1.738	2	6	2	Cc1nc(C(=O)N[C@H]2CC(C)(C)Oc3ccc(N)cc32)n(C)n1
365635903	ZINC000623069020	ref	1.62	-49.6	1	304.213	1.763	2	3	3	[NH3+]C[C@@H]1CC[C@H](NC(=O)c2ncc(Br)s2)C1
365635912	ZINC000623068551	ref	6.9	-63.96	1	311.389	1.43	2	2	1	O=C(N=c1ccn([C@H]2CC[NH2+]C2)[nH]1)N1CCc2ccccc2C1
282122681	ZINC000262317006	ref	3.27	-47.91	1	277.372	0.535	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[C@H]([NH3+])C1)CC2
168364843	ZINC000062614138	ref	3.0	-44.88	1	187.189	1.691	1	1	3	C[C@@H]([NH3+])COc1cccc(F)c1F
178302414	ZINC000026506489	ref	4.89	-8.84	0	203.201	2.034	1	4	1	Cc1cc2nc(N)ccc2cc1[N+](=O)[O-]
178302417	ZINC000026506489	low	5.33	-39.37	1	203.201	2.034	1	3	1	Cc1cc2[nH+]c(N)ccc2cc1[N+](=O)[O-]
178302420	ZINC000045236410	ref	6.29	-10.33	0	202.282	2.979	0	3	1	Cc1cc2nc(CC#N)sc2cc1C
349534884	ZINC000594968981	ref	6.13	-59.36	1	287.375	2.744	1	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(F)c2)C1
349534885	ZINC000594968981	high	4.93	-13.45	0	287.375	2.744	1	2	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(F)c(F)c2)C1
282122695	ZINC000362747515	ref	5.81	-53.53	1	277.372	0.215	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)CC2
349534889	ZINC000594968997	ref	7.52	-64.47	1	277.349	2.692	1	4	6	Cc1ccncc1CC[NH2+]Cc1csc([N+](=O)[O-])c1
178302425	ZINC000005730423	ref	1.19	-10.16	0	207.233	0.587	2	4	2	Cc1cc2[nH]c(=O)c(CCO)c(C)n2n1
178302431	ZINC000072193723	ref	4.78	-5.14	0	219.096	3.307	0	3	0	Cc1cc2nc(Cl)nc(Cl)c2s1
398249242	ZINC000651465160	ref	4.84	-7.71	0	283.375	3.108	2	4	6	OCC1(CCNc2cnc(-c3ccccc3)cn2)CCC1
168364846	ZINC000074923646	ref	-0.18	-39.45	1	145.202	0.139	1	2	3	C[C@@H]([NH3+])CO[C@H]1CCOC1
398249247	ZINC000651465364	ref	5.65	-6.91	0	290.794	3.275	2	3	5	OCC1(CCNc2ccc3c(Cl)cccc3n2)CCC1
365635922	ZINC000623068304	ref	4.05	-51.67	1	317.393	1.171	2	5	8	COCc1nc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)n(C)n1
365635933	ZINC000623069493	ref	6.39	-43.35	1	321.812	1.991	2	4	5	C[C@H]([NH3+])C[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365635943	ZINC000623069044	ref	1.21	-57.58	1	309.391	1.131	3	3	4	CS(=O)(=O)c1ccc(NC(=O)NCC2=CC[NH2+]CC2)cc1
365635951	ZINC000623069023	ref	3.83	-11.74	0	322.434	1.485	2	4	2	Cc1ccc(NC(=O)N2CCC[C@@H](N3CCNCC3=O)C2)s1
365635959	ZINC000623069023	mid	5.22	-53.68	1	322.434	1.485	2	3	2	Cc1ccc(NC(=O)N2CCC[C@@H](N3CC[NH2+]CC3=O)C2)s1
398249251	ZINC000651462656	ref	5.76	-47.53	1	291.42	3.351	2	3	4	Cc1n[nH]cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2cccs2)C1
365635907	ZINC000625079271	ref	5.55	-17.13	0	304.375	2.439	1	6	3	CCn1cc(C(=O)Nc2nc3c(s2)C(=O)CCC3)c(C)n1
365635920	ZINC000625077931	ref	2.31	-13.2	0	322.377	2.438	1	4	8	CC(C)C[C@@H](C)NS(=O)(=O)c1cccnc1OCC(F)F
365635927	ZINC000625077931	high	2.51	-52.38	-1	322.377	2.438	0	4	8	CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cccnc1OCC(F)F
365635934	ZINC000625075824	ref	7.8	-18.44	0	318.417	2.026	1	3	6	Cc1ccc(CO[C@@H](C)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1
365635944	ZINC000625076918	ref	6.39	-14.71	0	302.365	2.327	1	2	4	CC(C)N1C[C@H](NC(=O)CC2CCC(F)(F)CC2)CC1=O
365635950	ZINC000625076875	ref	5.23	-11.39	0	313.394	2.081	0	3	2	CC1(C)C[C@@H](S(=O)(=O)N2CCc3ccc(F)cc3C2)CO1
365635963	ZINC000625077928	ref	2.67	-13.86	0	322.377	2.438	1	4	8	CC(C)C[C@H](C)NS(=O)(=O)c1cccnc1OCC(F)F
365635971	ZINC000625077928	high	2.55	-52.36	-1	322.377	2.438	0	4	8	CC(C)C[C@H](C)[N-]S(=O)(=O)c1cccnc1OCC(F)F
365635979	ZINC000625076673	ref	5.93	-12.05	0	319.43	2.03	1	4	6	Cc1ncc(S(=O)(=O)NCC2(Cc3ccccc3)CC2)n1C
365635993	ZINC000625075861	ref	8.07	-11.33	0	318.45	2.434	1	6	6	CC(C)Cn1c(-c2cn[nH]c2)nnc1N(C)CC1=CCSC1
365636002	ZINC000625078569	ref	4.07	-10.79	0	312.435	2.086	0	4	4	CN(C)c1ccccc1N(C)S(=O)(=O)[C@@H]1COC(C)(C)C1
365636015	ZINC000625079462	ref	4.79	-11.64	0	319.373	2.197	1	3	3	Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(C)(C)O)c(F)c1F
365636025	ZINC000625076957	ref	6.17	-9.06	0	312.373	2.429	1	5	4	CCc1cccc2c1OCC[C@H]2NC(=O)c1cn(C2CC2)nn1
365636035	ZINC000625077464	ref	3.22	-11.2	0	319.373	2.055	1	3	3	Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@H](C)O)C2)c(F)c1F
365636045	ZINC000625078487	ref	5.28	-15.56	0	324.384	2.49	2	4	4	NC(=O)c1ccn(-c2ccc(NC(=O)[C@H]3CCCC34CC4)cc2)n1
365636057	ZINC000625076317	ref	7.76	-11.85	0	322.453	2.227	0	6	5	CN(CC1(C)COC1)c1nnc(C(C)(C)C)n1C[C@H]1CCCO1
365636068	ZINC000625077465	ref	3.08	-11.51	0	319.373	2.055	1	3	3	Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@H](C)O)C2)c(F)c1F
365636080	ZINC000625076187	ref	1.49	-6.19	0	322.331	2.071	1	5	6	C[C@H](CC(=O)NC(C)(C)c1noc(CN(C)C)n1)C(F)(F)F
342595968	ZINC000616973535	ref	5.91	-18.54	0	288.391	1.966	2	2	7	CCCc1ccc(CCCC(=O)N[C@H]2CCNC2=O)cc1
342595969	ZINC000616974512	ref	4.29	-20.36	0	283.331	1.31	2	3	3	Cn1ccc(C(=O)N[C@H]2CCNC2=O)c1-c1ccccc1
342595970	ZINC000616973494	ref	3.59	-17.04	0	290.363	1.269	2	3	6	CCOc1ccc(C[C@H](C)C(=O)N[C@@H]2CCNC2=O)cc1
365635909	ZINC000641603317	ref	2.44	-10.4	0	284.315	1.857	1	4	2	Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365635918	ZINC000641603710	ref	-1.6	-44.99	-1	255.362	1.855	1	4	6	CCC(C)(C)c1n[n-]c(=NC[C@H](CO)C(C)C)o1
365635923	ZINC000641603843	ref	4.64	-17.85	0	274.349	1.658	1	6	4	CCc1nnc(CNc2ccc3c(n2)C(=O)CC3)s1
365635932	ZINC000641603864	ref	2.87	-10.96	0	287.315	1.064	1	4	2	COc1ccc2c(c1)C=C(C(=O)N1C[C@H]3C[C@@]3(O)C1)CO2
365635940	ZINC000641603003	ref	6.44	-9.09	0	275.352	1.824	1	5	7	COCC[C@@H](COC)Nc1nc(C)c2ccccc2n1
365635948	ZINC000641603568	ref	0.54	-11.95	0	288.394	1.514	1	5	5	COc1cc(CS(=O)(=O)N[C@]23CCC[C@H]2C3)sn1
365635958	ZINC000641603478	ref	-1.0	-9.96	0	275.308	1.598	2	6	6	COc1ccc(CNc2cc(CO)ccn2)c(OC)n1
365635967	ZINC000641603478	low	-0.53	-33.33	1	275.308	1.598	2	5	6	COc1ccc(CNc2cc(CO)cc[nH+]2)c(OC)n1
365635973	ZINC000641603506	ref	1.23	-5.75	0	290.161	1.506	1	5	6	CC[C@H](CNc1nc(OC)ncc1Br)OC
365635983	ZINC000641603236	ref	3.98	-9.3	0	296.164	1.964	1	2	1	Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1Br
365635988	ZINC000641602991	ref	0.71	-31.57	1	265.338	1.789	2	6	6	COCc1nc(CNc2cc(CO)ccn2)cs1
342079255	ZINC000625301783	low	3.15	-49.76	1	295.364	1.176	2	3	7	COCc1ccccc1CS(=O)(=O)NCc1c[nH]c[nH+]1
178305318	ZINC000237276145	high	3.26	-17.04	0	363.487	1.285	2	5	10	COCCNCCNC(=O)CCN1C(=S)N=NC1c1ccc(C)cc1
365635998	ZINC000641602991	low	0.71	-31.57	1	265.338	1.789	2	5	6	COCc1nc(CNc2cc(CO)cc[nH+]2)cs1
365636003	ZINC000641603614	ref	6.62	-47.45	1	289.383	1.685	3	4	7	CCC[N@H+](CC)C[C@@H](C)Nc1ccc2nc[nH]c(=O)c2n1
342079256	ZINC000625303242	ref	7.4	-13.8	0	274.324	1.716	0	5	3	Cc1nnc2n1CCN(C(=O)C[C@H](C)c1ccco1)C2
365636010	ZINC000641603614	mid	6.2	-46.14	1	289.383	1.685	3	4	7	CCC[N@@H+](CC)C[C@@H](C)Nc1ccc2nc[nH]c(=O)c2n1
365636016	ZINC000641603624	ref	0.84	-10.27	0	283.34	1.112	2	3	6	C[C@@]1(CS(=O)(=O)N[C@H](CO)C2CCC2)CC1(F)F
365636024	ZINC000641603661	ref	1.36	-12.54	0	297.367	1.358	2	3	6	CC1(C)[C@@H](CS(=O)(=O)N[C@H](CO)C2CCC2)C1(F)F
365636033	ZINC000641603328	ref	5.43	-11.31	0	295.408	1.756	0	5	3	CC[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H](C)S1(=O)=O
365636041	ZINC000641603645	ref	4.3	-16.29	0	298.412	1.12	0	5	5	CC1(CS(=O)(=O)N2CC[C@H](Cn3ccnn3)C2)CCC1
342079257	ZINC000625300830	ref	4.18	-13.26	0	297.367	1.766	1	3	9	CCO[C@H](CS(=O)(=O)NCC[C@@H]1CC1(F)F)C1CC1
365635910	ZINC000576597745	ref	6.27	-45.14	1	249.358	2.395	1	3	5	Cc1ncncc1[C@@H](C)[NH2+]CC[C@@H]1CCCCO1
365635916	ZINC000576597745	high	5.24	-5.07	0	249.358	2.395	1	4	5	Cc1ncncc1[C@@H](C)NCC[C@@H]1CCCCO1
365635924	ZINC000576598901	ref	5.35	-6.47	0	235.375	3.085	2	1	3	Cc1nc(C[NH2+][C@H]2CCC[C@H](C)CC2)[nH]c1C
178302419	ZINC000237219647	ref	5.64	-47.48	1	362.518	1.855	3	2	6	C[NH2+]C[C@H]1CCCN1C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
365635931	ZINC000576598901	high	5.35	-6.47	0	235.375	3.085	2	2	3	Cc1nc(CN[C@H]2CCC[C@H](C)CC2)[nH]c1C
342595971	ZINC000616973448	ref	2.16	-17.35	0	261.325	1.132	2	3	3	Cc1ccc(C(=O)N[C@H]2CCNC2=O)c(C(C)C)n1
178302422	ZINC000237207333	ref	6.07	-41.05	1	362.474	1.325	1	3	3	CN(C(=O)CN1C(=O)N(C)C2(CCCCC2)C1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
342595972	ZINC000616974730	ref	3.17	-17.75	0	266.728	1.448	2	2	3	C[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccc(Cl)cc1
342595973	ZINC000616973453	ref	4.12	-18.83	0	272.348	1.359	2	2	3	CC1(C)C[C@]1(C(=O)N[C@@H]1CCNC1=O)c1ccccc1
365635937	ZINC000576598475	ref	2.78	-55.71	1	212.293	0.233	1	2	4	CC(=O)N1CC([NH2+]CC[C@@H]2CCOC2)C1
365635946	ZINC000576597965	ref	7.25	-31.79	0	229.32	1.742	1	3	9	COCCCCC[N@H+](CC(=O)[O-])C1CCC1
365635957	ZINC000576597965	mid	7.08	-33.42	0	229.32	1.742	1	3	9	COCCCCC[N@@H+](CC(=O)[O-])C1CCC1
365635966	ZINC000576598407	ref	1.38	-32.92	1	231.336	0.931	2	3	7	COCCOC[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1O
365635976	ZINC000576596861	ref	0.86	-54.91	1	246.332	-0.487	1	3	2	[NH3+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O
365635980	ZINC000576596861	high	1.15	-15.83	0	246.332	-0.487	1	4	2	NC[C@@H]1CCCN1C(=O)[C@@H]1CCCS1(=O)=O
365635987	ZINC000576596710	ref	2.41	-14.94	0	242.3	-0.387	1	4	2	CN1C(=O)C[C@@H](NC(=O)[C@H]2CCSC2)C1=O
365635997	ZINC000576598484	ref	3.95	-89.22	0	248.282	1.369	2	3	3	Cc1cc(NC(=O)[C@@H]2C[C@H]([NH3+])C2)ccc1C(=O)[O-]
365636004	ZINC000576596916	ref	2.59	-48.0	1	209.293	1.208	2	3	6	Cc1ncncc1[C@H](C)[NH2+]CCCCO
365636013	ZINC000576596916	high	1.44	-6.12	0	209.293	1.208	2	4	6	Cc1ncncc1[C@H](C)NCCCCO
365636021	ZINC000576597831	ref	1.43	-7.0	0	201.266	0.252	1	3	4	CCC1CN(C(=O)[C@@](C)(O)COC)C1
365636029	ZINC000576597932	ref	2.66	-10.29	0	244.258	1.237	0	7	3	Cc1noc([C@@H](C)N(C)c2cncc(C#N)n2)n1
365636037	ZINC000576599353	ref	1.52	-94.79	2	240.351	-0.025	3	1	2	C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C[NH3+]
365636048	ZINC000576597040	ref	-1.04	-14.44	0	215.293	0.236	2	3	4	CC[C@](C)(CO)C(=O)N1CC(C)(CO)C1
365636059	ZINC000576597323	ref	3.97	-9.39	0	234.259	1.129	1	5	4	CCn1ccnc1CNC(=O)c1cc(C)no1
365635925	ZINC000274363384	low	3.95	-40.14	1	286.339	1.885	3	4	7	O=C(NCCCCNc1cccc[nH+]1)Nc1cncnc1
365635930	ZINC000274362152	ref	1.66	-12.09	0	289.335	1.96	3	5	7	CCNC(=O)c1ccc(N[C@@H](CCO)c2ccco2)nc1
343993970	ZINC000599269377	ref	4.4	-49.22	1	296.411	1.559	2	4	6	CCOC1CC[NH+](C[C@@H](O)CC2(C#N)CCOCC2)CC1
343993972	ZINC000599269377	high	2.08	-9.69	0	296.411	1.559	1	5	6	CCOC1CCN(C[C@@H](O)CC2(C#N)CCOCC2)CC1
295666327	ZINC000412985688	ref	8.93	-11.25	0	306.318	2.71	0	6	6	O=c1oc2ccc([N+](=O)[O-])cc2n1CCOCC1CCCC1
365635942	ZINC000274363646	ref	3.93	-14.61	0	299.348	1.121	1	5	7	CCOC(=O)c1cccc(S(=O)(=O)NCC(=O)CC)c1
365635952	ZINC000274362113	ref	7.79	-13.94	0	272.308	1.035	1	5	6	CCC(=O)CNC(=O)c1ccccc1Cn1cncn1
365635960	ZINC000274360563	ref	6.28	-38.49	1	290.363	1.687	1	3	8	CCOCC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O
365635969	ZINC000274361024	ref	4.66	-15.32	0	287.323	1.815	2	7	6	CCc1nnc2ccc(N[C@@H](CCO)c3ccco3)nn12
365635981	ZINC000274361496	ref	2.87	-4.31	0	294.37	1.973	1	4	4	CCO[C@H]1C[C@H](O)C12CCN(Cc1cncc(F)c1)CC2
365635991	ZINC000274361496	mid	5.18	-40.38	1	294.37	1.973	2	3	4	CCO[C@H]1C[C@H](O)C12CC[NH+](Cc1cncc(F)c1)CC2
365636001	ZINC000274361778	ref	2.56	-9.39	0	293.342	1.622	3	2	4	CC(C)[C@H](NC(=O)N[C@@H]1CCc2c(F)cccc21)C(N)=O
365636011	ZINC000274362502	ref	5.48	-81.79	2	261.369	1.549	1	2	3	Cc1cc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc[nH+]1
365636019	ZINC000274362502	mid	3.32	-30.65	1	261.369	1.549	0	3	3	Cc1cc(N2CC[C@H](CN3CCOCC3)C2)cc[nH+]1
365636027	ZINC000274361499	ref	2.65	-5.11	0	294.37	1.973	1	4	4	CCO[C@@H]1C[C@@H](O)C12CCN(Cc1cncc(F)c1)CC2
178302421	ZINC000082802902	high	3.42	-11.41	0	270.336	0.923	2	4	3	Cn1ccnc1CNC(=O)[C@H]1CNCc2ccccc21
365636036	ZINC000274361499	mid	4.98	-43.34	1	294.37	1.973	2	3	4	CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1cncc(F)c1)CC2
365636042	ZINC000274360887	ref	5.63	-45.86	1	278.4	1.876	2	3	5	Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CC(=O)NC1CC1
365636046	ZINC000274360887	mid	4.4	-10.17	0	278.4	1.876	2	4	5	Cc1nn(C(C)(C)C)cc1[C@H](C)NCC(=O)NC1CC1
349534887	ZINC000093281806	ref	6.92	-35.15	1	270.373	0.986	1	3	4	COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)N(C)C)C1
365636052	ZINC000274363421	ref	5.74	-16.28	0	299.421	1.543	0	5	4	Cc1c(C(=O)N(C)[C@H](C)C[S@](C)=O)sc2nccn12
365639475	ZINC000123574884	mid	6.85	-38.15	1	265.382	2.346	2	3	3	C[C@@H](C(=O)Nc1nccs1)[N@@H+]1CCC2(CCC2)C1
365635939	ZINC000617434298	ref	6.4	-23.73	0	291.355	0.801	1	5	2	CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C)n2ncnc21
365635947	ZINC000617435244	ref	4.32	-19.01	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)nn1C
295666328	ZINC000373417779	ref	6.95	-8.0	0	344.455	3.117	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCC[C@H]2OCC[C@H]21
295666333	ZINC000089892185	ref	7.3	-8.59	0	344.455	2.975	1	3	4	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCOC[C@@H]1C1CC1
295666336	ZINC000247497730	ref	6.88	-12.51	0	344.455	2.976	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[C@@]2(CCOC2)C1
365635954	ZINC000617434869	ref	1.82	-26.63	0	291.336	0.874	2	6	3	C[C@@H]1C[C@H](NC(=O)c2cc(C(N)=O)cs2)c2ncnn21
365635961	ZINC000617432412	ref	4.1	-15.64	0	258.285	0.812	1	6	2	Cc1nccc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)n1
365635974	ZINC000617433581	ref	4.53	-23.25	0	278.234	0.979	1	5	4	C[C@H]1C[C@@H](NC(=O)COCC(F)(F)F)c2ncnn21
365635982	ZINC000617433793	ref	4.77	-20.07	0	250.302	0.969	1	5	3	C[C@@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)c2ncnn21
365635989	ZINC000617432051	ref	4.64	-23.44	0	260.301	0.858	1	6	3	C[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)n1cccn1
365636000	ZINC000617434608	ref	4.84	-23.93	0	260.301	0.605	1	6	3	Cc1cnn(CC(=O)N[C@H]2C[C@H](C)n3ncnc32)c1
365636009	ZINC000617433937	ref	4.61	-20.69	0	277.328	0.268	1	5	3	CCN1C[C@H](C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)CC1=O
365636018	ZINC000617433373	ref	4.18	-18.18	0	294.355	0.986	1	6	6	C[C@@H]1C[C@@H](NC(=O)CCOC[C@H]2CCCO2)c2ncnn21
365636030	ZINC000617434870	ref	1.83	-27.27	0	291.336	0.874	2	6	3	C[C@H]1C[C@H](NC(=O)c2cc(C(N)=O)cs2)c2ncnn21
365636038	ZINC000617435396	ref	7.35	-23.31	0	283.295	0.757	1	7	2	C[C@@H]1C[C@H](NC(=O)c2ccc3nncn3c2)c2ncnn21
365636049	ZINC000617433372	ref	4.26	-18.73	0	294.355	0.986	1	6	6	C[C@@H]1C[C@@H](NC(=O)CCOC[C@@H]2CCCO2)c2ncnn21
365636060	ZINC000617431522	ref	5.33	-26.91	0	289.339	0.411	1	5	3	C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(C3CC3)C2)c2ncnn21
365636069	ZINC000617432918	ref	4.38	-18.2	0	272.312	0.926	2	5	2	C[C@@H]1C[C@@H](NC(=O)c2n[nH]c3c2CCC3)c2ncnn21
365636075	ZINC000617432918	mid	4.44	-18.74	0	272.312	0.926	2	5	2	C[C@@H]1C[C@@H](NC(=O)c2[nH]nc3c2CCC3)c2ncnn21
365636085	ZINC000617431585	ref	4.34	-18.63	0	293.371	0.951	2	5	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
212167147	ZINC000335489420	mid	3.74	-9.23	0	250.346	0.561	1	4	3	C[C@@H]1CN(C(=O)CCc2ccnn2C)C[C@@H](C)N1
343993973	ZINC000079909862	high	3.56	-45.47	-1	292.36	2.277	0	4	5	C[C@H]1C[C@@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2)o1
343993975	ZINC000079911424	ref	3.97	-10.95	0	294.395	2.396	2	4	7	CC[C@@H](C)[C@@](C)(O)CNC(=O)c1ncccc1OC(C)C
365635962	ZINC000123192381	ref	4.86	-38.09	1	251.326	2.377	1	3	7	C=C[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1OC
365635972	ZINC000123192381	high	3.61	-6.64	0	251.326	2.377	1	4	7	C=C[C@H](C)NCc1cc(OC)c(OC)cc1OC
299072530	ZINC000358087407	ref	9.17	-86.22	2	308.47	1.62	3	1	4	C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1
282122685	ZINC000449153584	ref	6.99	-57.07	1	288.395	2.472	1	4	7	CCn1nnc(C)c1C[NH2+]C[C@H](C)Oc1cccc(C)c1
282122689	ZINC000449153584	high	5.58	-12.0	0	288.395	2.472	1	5	7	CCn1nnc(C)c1CNC[C@H](C)Oc1cccc(C)c1
282122694	ZINC000449153456	ref	4.85	-43.91	1	264.394	2.007	2	2	4	Cc1ccccc1[C@@H]([NH3+])C(=O)NC[C@H]1CCCS1
365635985	ZINC000123180068	ref	5.53	-21.37	0	266.366	2.145	1	3	2	CS[C@H]1CCCCN(C(=O)c2ccc[nH]c2=O)C1
365635994	ZINC000123148092	ref	6.35	-20.17	0	283.397	2.026	0	4	7	N#CCCN(CCC#N)S(=O)(=O)CC1CCCCC1
230744875	ZINC000450490813	ref	5.63	-10.92	0	307.39	1.987	2	4	8	COc1ccccc1OC[C@@H](C)CNC(=O)[C@H](O)C1CCC1
365636008	ZINC000123215498	ref	7.38	-18.7	0	291.395	2.27	0	4	2	Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@H]1CCCCO1
282122696	ZINC000449153456	mid	4.26	-6.87	0	264.394	2.007	2	3	4	Cc1ccccc1[C@@H](N)C(=O)NC[C@H]1CCCS1
178302423	ZINC000082800554	ref	4.39	-41.83	0	276.134	1.399	1	4	4	C[C@H](C[C@@](C)([NH3+])C(=O)[O-])n1cc(Br)cn1
343993977	ZINC000079914581	ref	7.75	-56.85	1	264.329	2.134	2	4	5	C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])nc2)C1
343993979	ZINC000079914581	mid	7.77	-56.14	1	264.329	2.134	2	4	5	C[C@@H]1CCC[N@@H+](CCNc2ccc([N+](=O)[O-])nc2)C1
398249243	ZINC000650875233	ref	2.5	-13.22	0	281.4	1.766	3	2	5	C[C@H]1CCCC[C@@H]1CCNC(=O)N[C@@H]1C[C@H](C(N)=O)C1
282122699	ZINC000449154269	ref	3.07	-42.14	1	289.297	2.078	2	2	6	COC[C@@H](CCO)[NH2+][C@H]1CCc2cc(F)c(F)c(F)c21
398249245	ZINC000650874527	ref	5.3	-8.56	0	286.391	1.691	0	3	3	CC(C)[C@H](C(=O)N1CC[C@H](F)C1)N1C[C@@H](C)O[C@H](C)C1
282122705	ZINC000449154269	mid	2.16	-9.11	0	289.297	2.078	2	3	6	COC[C@@H](CCO)N[C@H]1CCc2cc(F)c(F)c(F)c21
365636020	ZINC000123271981	ref	4.42	-10.38	0	263.337	2.094	1	3	7	C=CCOc1ccc(C(=O)N(C)CC[C@@H](C)O)cc1
282122710	ZINC000449154230	ref	4.92	-43.66	1	295.402	2.2	1	3	6	COC1CCN(C(C)(C)C[NH2+]Cc2ccncc2F)CC1
349534888	ZINC000618813203	ref	4.63	-12.06	0	285.347	1.881	2	3	3	CC1(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)COC1
365635968	ZINC000623068032	ref	6.02	-44.94	1	313.405	1.902	2	4	7	Cn1nc(C2CC2)nc1C(=O)N[C@@H](CCC[NH3+])c1ccccc1
365635977	ZINC000623068810	ref	4.29	-53.51	1	312.377	1.156	2	5	3	Cn1nc(C2CC2)nc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2
365635986	ZINC000623068346	ref	4.08	-43.63	1	304.213	1.73	1	3	2	C[NH2+]C1CCN(C(=O)c2ncc(Br)s2)CC1
342595974	ZINC000616976545	ref	2.73	-8.35	0	264.391	1.091	1	3	7	CCC[C@H](C(=O)N(CC)[C@H](C)CC)S(N)(=O)=O
365635995	ZINC000623068484	ref	0.33	-52.61	1	318.118	1.525	2	3	3	[NH3+]C[C@@H](NC(=O)c1ncc(Br)s1)C(F)(F)F
365635999	ZINC000623068484	high	-0.02	-5.34	0	318.118	1.525	2	4	3	NC[C@@H](NC(=O)c1ncc(Br)s1)C(F)(F)F
365636007	ZINC000623069071	ref	4.15	-48.14	1	324.45	1.908	3	3	5	Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])s1
365636017	ZINC000623069160	ref	2.26	-59.29	1	317.315	1.693	3	3	4	[NH3+]C[C@@H](NC(=O)Nc1cccnc1N1CCCC1)C(F)(F)F
349534892	ZINC000618813759	ref	4.85	-10.46	0	266.345	1.123	0	5	5	CN(Cc1cn(C)nn1)C(=O)CC[C@@H]1CCCCO1
365636026	ZINC000623069160	high	1.89	-9.5	0	317.315	1.693	3	4	4	NC[C@@H](NC(=O)Nc1cccnc1N1CCCC1)C(F)(F)F
365636034	ZINC000623068034	ref	2.78	-52.32	1	304.213	1.715	1	3	2	C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ncc(Br)s1
365636043	ZINC000623069393	ref	1.55	-51.91	1	316.361	1.019	3	3	2	C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@@H]1C[NH3+]
342595975	ZINC000616974612	ref	6.16	-14.42	0	267.377	1.618	0	5	5	CC[C@@H](C)N(CC)C(=O)Cc1nnn(C(C)(C)C)n1
197593386	ZINC000290094608	ref	3.89	-14.12	0	265.313	0.917	0	5	4	CCN(C[C@@H]1CCCO1)C(=O)c1cc2n(n1)CCO2
342595976	ZINC000616974511	ref	4.29	-20.59	0	283.331	1.31	2	3	3	Cn1ccc(C(=O)N[C@@H]2CCNC2=O)c1-c1ccccc1
365636054	ZINC000623069393	high	-0.26	-77.88	0	316.361	1.019	2	3	2	C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1C[NH3+]
190493777	ZINC000269430739	ref	5.02	-12.35	0	299.374	2.214	2	4	3	Cc1cc(C(=O)N[C@@H]2CCCC[C@@H]2O)nn1-c1ccccc1
365636063	ZINC000623068255	ref	7.44	-54.26	1	311.389	1.385	2	4	3	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ncn(-c2ccccc2)n1
365636071	ZINC000623068049	ref	3.78	-8.67	0	315.377	1.738	2	6	2	Cc1nc(C(=O)N[C@@H]2CC(C)(C)Oc3ccc(N)cc32)n(C)n1
342595977	ZINC000616973527	ref	4.03	-17.72	0	290.363	1.874	2	3	7	CCCCCOc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
342595978	ZINC000616974464	ref	8.45	-50.95	1	266.389	1.705	1	3	7	CC[C@H](C)N(CC)C(=O)c1ccn(CC[NH+](C)C)n1
365635975	ZINC000354708713	mid	6.14	-32.03	1	263.341	1.255	0	3	3	COC[C@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1
282122687	ZINC000248973599	low	1.38	-39.59	1	305.378	1.224	3	5	8	C[C@@H](O)C[N@@H+](Cc1nc(Cc2ccccc2)no1)[C@H](C)CO
282122691	ZINC000248974458	ref	3.84	-56.25	1	306.472	1.45	2	3	6	C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C
282122704	ZINC000248971650	ref	3.49	-9.09	0	318.417	1.491	1	4	4	Cc1ccccc1CNC(=O)[C@H](C)N1CCO[C@@]2(CCOC2)C1
365635984	ZINC000354709690	ref	4.45	-15.38	0	290.429	1.305	0	3	5	CC[C@@H](C)CCC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1
365635992	ZINC000354708950	ref	2.92	-37.02	1	281.356	1.168	2	4	8	Cc1oc(C2CC2)nc1C(=O)NCCOCC[NH+](C)C
365636005	ZINC000354708950	high	0.41	-8.65	0	281.356	1.168	1	5	8	Cc1oc(C2CC2)nc1C(=O)NCCOCCN(C)C
365636012	ZINC000354708656	ref	1.39	-9.9	0	296.327	1.036	2	6	5	COC(=O)CC1(NC(=O)Nc2cn(C)nc2OC)CCC1
365636022	ZINC000354709686	ref	4.3	-13.28	0	290.429	1.305	0	3	5	CC[C@@H](C)CCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1
178305319	ZINC000000545761	low	11.08	-27.55	1	223.239	1.839	0	4	0	Cc1cc2ncn3c4ccccc4[nH+]c3n2n1
365636032	ZINC000354709876	ref	4.69	-44.07	1	297.443	1.72	3	2	10	CCCC[C@@H](CCC)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365636044	ZINC000354708974	ref	4.57	-9.17	0	265.3	1.935	1	3	6	CC(C)C[C@@H]1C[C@@H](NC(=O)COC(F)F)CCO1
365636055	ZINC000354708973	ref	4.19	-9.49	0	265.3	1.935	1	3	6	CC(C)C[C@H]1C[C@@H](NC(=O)COC(F)F)CCO1
343993974	ZINC000599270674	ref	7.86	-11.81	0	283.368	1.602	0	4	8	CCO[C@H](C(=O)N(C[C@H](C)C(=O)OC)C1CC1)C1CC1
365636064	ZINC000354721295	ref	7.02	-42.32	1	290.407	1.438	3	2	7	C[C@H](CNC(=O)[C@H](O)Cc1ccccc1)C[NH+]1CCCC1
365636076	ZINC000354710130	ref	4.02	-23.11	0	261.387	1.314	0	3	3	CCS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C
365636090	ZINC000354709687	ref	4.47	-15.38	0	290.429	1.305	0	3	5	CC[C@H](C)CCC(=O)N1CCN(S(C)(=O)=O)[C@H](C)C1
365636102	ZINC000354709407	ref	6.71	-42.95	1	288.395	1.456	1	3	2	C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1N(C)C
365636109	ZINC000354709407	mid	4.68	-9.04	0	288.395	1.456	1	3	2	C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccnc1N(C)C
212167150	ZINC000335489833	ref	6.46	-15.39	0	265.275	2.356	0	2	2	O=C([C@H]1CCCO1)N1CCC[C@@H](CC(F)(F)F)C1
349534891	ZINC000093281806	mid	6.49	-37.13	1	270.373	0.986	1	3	4	COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1
365636114	ZINC000354709407	high	4.68	-9.04	0	288.395	1.456	0	4	2	C[C@@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1N(C)C
365639477	ZINC000343900488	mid	2.91	-41.83	1	216.281	0.135	2	3	7	CCOC(=O)[C@@H](CC)[N@H+](C)CCC(N)=O
342595979	ZINC000616974464	high	5.99	-9.39	0	266.389	1.705	0	4	7	CC[C@H](C)N(CC)C(=O)c1ccn(CCN(C)C)n1
214185860	ZINC000337626492	ref	7.14	-17.79	0	280.343	2.117	1	2	5	CC(C)[C@@H](NC(=O)CC(=O)N(C)C)c1ccc(F)cc1
214185862	ZINC000337626221	ref	7.26	-44.46	1	289.423	2.255	3	2	6	Cc1ccccc1NCCC(=O)NCC1CC[NH+](C)CC1
214185864	ZINC000337626882	ref	4.7	-17.88	0	295.335	0.735	1	5	9	CCN(CCOCCO)C(=O)C(=O)c1ccccc1OC
214185866	ZINC000337624570	ref	7.49	-8.07	0	272.348	3.073	1	3	4	CCCC1(Cn2c(=O)[nH]c3ccccc3c2=O)CCC1
214185868	ZINC000337627941	ref	6.05	-12.39	0	266.316	2.146	1	2	4	CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCOC1
214185872	ZINC000337627926	ref	7.38	-40.84	1	250.317	2.414	2	1	3	Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1F
214185873	ZINC000337627926	mid	7.31	-42.0	1	250.317	2.414	2	1	3	Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1F
214185875	ZINC000337627926	mid	4.75	-10.76	0	250.317	2.414	1	2	3	Cc1ccc(NC(=O)CN2CC[C@@H](C)C2)cc1F
214185878	ZINC000337625797	ref	2.63	-11.0	0	259.346	0.39	2	4	5	C[C@H](O)CN(C(=O)[C@@H]1O[C@H](C)C[C@H]1C)[C@@H](C)CO
282122688	ZINC000533471660	ref	3.38	-14.34	0	277.368	1.426	2	3	4	C[C@@H](O)[C@@H]1CCCN(C(=O)NCCc2ccccn2)C1
282122692	ZINC000533470810	ref	2.5	-6.76	0	272.389	1.46	2	3	5	COC[C@H](NC(=O)N1CCC[C@@H]([C@H](C)O)C1)C(C)C
282122697	ZINC000533470419	ref	3.95	-8.46	0	272.414	1.684	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)NC2CCSCC2)C1
282122700	ZINC000533470076	ref	4.85	-42.27	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1
282122703	ZINC000533470076	mid	4.19	-41.38	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1
214185890	ZINC000337625115	ref	7.05	-11.16	0	298.321	2.465	1	5	5	C[C@H](CNc1ncnc2ccncc12)Oc1ccccc1F
214185893	ZINC000337625787	ref	7.52	-10.09	0	286.297	3.363	0	2	4	CCN(CC1CCC1)C(=O)c1ccncc1C(F)(F)F
214185896	ZINC000337627691	ref	3.47	-13.14	0	297.305	2.242	3	2	5	CC(=O)NCc1ccc(NC(=O)NC2(C(F)F)CC2)cc1
214185898	ZINC000337625236	ref	3.41	-11.13	0	285.347	2.071	2	3	4	O=C(NCc1nccc2ccccc12)NC[C@H]1CCOC1
214185900	ZINC000337627641	ref	1.09	-14.1	0	275.255	2.265	2	4	4	Cc1cnc(NC(=O)N[C@@H]2CCC[C@H]2OC(F)F)o1
214185902	ZINC000337626423	ref	6.95	-44.23	1	259.353	0.871	2	2	5	O=C(CN1CCc2ccccc21)NCC[NH+]1CCC1
342595980	ZINC000616973976	ref	2.59	-15.26	0	299.396	1.007	1	4	7	CC[C@H](C)N(CC)C(=O)CNS(=O)(=O)c1cccnc1
365636006	ZINC000336551901	ref	9.23	-13.38	0	298.386	2.39	0	2	2	CC1=C[C@H](C)CN(C(=O)CN2C(=O)CCc3ccccc32)C1
365636014	ZINC000336553267	ref	7.07	-37.0	1	278.318	2.27	1	1	2	C[C@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636023	ZINC000336553267	mid	6.75	-36.73	1	278.318	2.27	1	1	2	C[C@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636031	ZINC000336553267	mid	5.1	-7.53	0	278.318	2.27	0	2	2	C[C@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636039	ZINC000336553175	ref	3.71	-8.61	0	289.354	2.176	1	4	3	Cc1c(CN2C[C@H](O)C[C@H]2c2ccc(F)cc2)cnn1C
365636047	ZINC000336553175	mid	5.79	-42.49	1	289.354	2.176	2	3	3	Cc1c(C[N@@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cnn1C
178302427	ZINC000237216695	ref	5.27	-49.62	1	368.499	1.85	1	4	9	C[NH2+]C[C@H]1CCCN1C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1
365636053	ZINC000336553175	mid	5.35	-39.99	1	289.354	2.176	2	3	3	Cc1c(C[N@H+]2C[C@H](O)C[C@H]2c2ccc(F)cc2)cnn1C
178302429	ZINC000237222954	ref	7.95	-89.3	2	360.483	1.729	2	5	6	COc1ccccc1[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1nccn1C
365636067	ZINC000336552987	ref	8.65	-38.97	1	290.411	2.037	1	3	2	Cn1ccc(N2CCC[C@@H]([NH+]3CCC(C)(C)CC3)C2=O)n1
365636079	ZINC000336552987	mid	6.6	-11.9	0	290.411	2.037	0	4	2	Cn1ccc(N2CCC[C@@H](N3CCC(C)(C)CC3)C2=O)n1
365636089	ZINC000336552986	ref	5.72	-35.74	1	252.383	2.372	1	3	2	Cc1nc(C[N@@H+]2CC[C@]3(CCOC3)C2)c(C)s1
365636095	ZINC000336552986	mid	5.4	-35.96	1	252.383	2.372	1	3	2	Cc1nc(C[N@H+]2CC[C@]3(CCOC3)C2)c(C)s1
365636104	ZINC000336552986	mid	3.3	-4.74	0	252.383	2.372	0	4	2	Cc1nc(CN2CC[C@]3(CCOC3)C2)c(C)s1
365636111	ZINC000336553630	ref	6.33	-43.91	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)[nH]n1
365636119	ZINC000336553630	mid	6.8	-44.48	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)[nH]n1
365636126	ZINC000336553630	mid	6.25	-37.51	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)n[nH]1
365636135	ZINC000336553630	mid	6.71	-38.21	1	263.385	2.324	2	2	3	Cc1cc([C@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)n[nH]1
365636148	ZINC000336552649	ref	6.15	-35.02	1	261.365	2.365	2	2	3	OC1(C[N@@H+]2CCO[C@@H](c3ccccc3)C2)CCCC1
365636155	ZINC000336552649	mid	6.57	-35.58	1	261.365	2.365	2	2	3	OC1(C[N@H+]2CCO[C@@H](c3ccccc3)C2)CCCC1
365636164	ZINC000336552649	mid	4.52	-4.59	0	261.365	2.365	1	3	3	OC1(CN2CCO[C@@H](c3ccccc3)C2)CCCC1
365636174	ZINC000336552246	ref	6.38	-18.15	0	272.352	2.346	1	4	2	Cc1ccn2ncc(C(=O)N[C@@H]3CCC(C)(C)C3)c2n1
342595981	ZINC000616975416	ref	5.29	-11.22	0	250.346	1.872	1	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCCc2nn[nH]c21
365636028	ZINC000123223292	ref	5.87	-17.75	0	289.441	2.238	0	3	5	C[C@H](CS(C)(=O)=O)N(C)C(=O)CC1(C)CCCCC1
365636040	ZINC000123271248	ref	6.5	-35.89	1	299.418	2.443	2	2	3	C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CCN1C
342595982	ZINC000616975418	ref	5.18	-11.33	0	250.346	1.872	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCCc2nn[nH]c21
365636051	ZINC000123271248	mid	6.54	-38.29	1	299.418	2.443	2	2	3	C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CCN1C
365636058	ZINC000123271248	mid	8.46	-99.06	2	299.418	2.443	3	1	3	C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@@H+]1C
365636066	ZINC000123271248	mid	8.85	-98.51	2	299.418	2.443	3	1	3	C[C@@H]1C[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C
178302428	ZINC000082802921	ref	7.89	-49.75	1	280.371	3.129	2	1	2	Cc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1C
365636072	ZINC000123271248	mid	8.81	-102.23	2	299.418	2.443	3	1	3	C[C@@H]1C[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C
365636077	ZINC000123271248	mid	8.85	-98.54	2	299.418	2.443	3	1	3	C[C@@H]1C[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC[NH+]1C
365636083	ZINC000123271248	mid	6.18	-36.32	1	299.418	2.443	2	2	3	C[C@@H]1C[C@H](N(C)Cc2cc3ccccc3[nH]c2=O)CC[N@@H+]1C
365636086	ZINC000123271248	mid	6.58	-35.82	1	299.418	2.443	2	2	3	C[C@@H]1C[C@H](N(C)Cc2cc3ccccc3[nH]c2=O)CC[N@H+]1C
365636096	ZINC000123219289	ref	6.53	-38.57	1	293.363	2.176	2	4	5	CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1O
365636113	ZINC000123219289	mid	7.0	-37.62	1	293.363	2.176	2	4	5	CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1O
365636122	ZINC000123219289	high	4.73	-8.33	0	293.363	2.176	1	5	5	CCOc1cccc(CN2CCC[C@@H](C(=O)OC)C2)c1O
365636128	ZINC000123219289	high	7.43	-33.95	0	293.363	2.176	1	4	5	CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)OC)C2)c1[O-]
365636133	ZINC000123219289	high	7.9	-34.64	0	293.363	2.176	1	4	5	CCOc1cccc(C[N@H+]2CCC[C@@H](C(=O)OC)C2)c1[O-]
365636141	ZINC000123169089	ref	5.2	-11.31	0	268.401	2.186	1	2	4	CCC[C@@H]1C(=O)NCCN1C(=O)C[C@H](C)C(C)(C)C
365636157	ZINC000123228318	ref	6.24	-41.83	-1	299.305	2.482	0	4	5	N#CCCN(Cc1ccccn1)C(=O)c1c([O-])cccc1F
342595983	ZINC000616975413	ref	5.09	-12.94	0	250.346	1.872	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCc2nn[nH]c21
365636170	ZINC000123228318	mid	5.48	-13.17	0	299.305	2.482	1	4	5	N#CCCN(Cc1ccccn1)C(=O)c1c(O)cccc1F
178302430	ZINC000082802921	high	6.46	-9.74	0	280.371	3.129	2	2	2	Cc1cccc(NC(=O)[C@@H]2CNCc3ccccc32)c1C
365636050	ZINC000641603000	ref	2.11	-29.11	1	258.325	1.647	2	5	5	CN(C)c1cccnc1CNc1cc(CO)ccn1
365636056	ZINC000641603000	low	2.11	-29.11	1	258.325	1.647	2	4	5	CN(C)c1cccnc1CNc1cc(CO)cc[nH+]1
365636061	ZINC000641603901	ref	5.14	-11.37	0	275.373	1.61	1	3	1	O=C([C@@H]1SCCc2ccccc21)N1C[C@H]2C[C@@]2(O)C1
178302433	ZINC000082802945	ref	1.71	-58.92	1	294.376	0.177	2	3	2	O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1C[NH2+]Cc2ccccc21
365636073	ZINC000641603588	ref	1.55	-12.45	0	291.413	1.147	1	4	7	CO[C@@H](CNS(=O)(=O)CC1(C)CCC1)[C@H]1CCOC1
365636081	ZINC000641603139	ref	4.48	-49.75	1	297.424	1.513	3	3	8	C=CCNS(=O)(=O)c1ccccc1N[C@@H](C)C[NH+](C)C
365636093	ZINC000641603002	ref	6.43	-9.09	0	275.352	1.824	1	5	7	COCC[C@H](COC)Nc1nc(C)c2ccccc2n1
365636099	ZINC000641603318	ref	2.44	-10.42	0	284.315	1.857	1	4	2	Cc1nc(-c2ccccc2)oc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365636106	ZINC000641603239	ref	3.99	-9.65	0	296.164	1.964	1	2	1	Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1Br
365636115	ZINC000641603451	ref	2.52	-12.08	0	257.355	1.168	1	3	3	O=S(=O)(N[C@@]12CCC[C@@H]1C2)[C@H]1C[C@@H]2CC[C@H]1O2
365636124	ZINC000641603462	ref	2.18	-12.68	0	257.355	1.168	1	3	3	O=S(=O)(N[C@]12CCC[C@H]1C2)[C@H]1C[C@@H]2CC[C@H]1O2
365636132	ZINC000641603569	ref	0.85	-11.77	0	288.394	1.514	1	5	5	COc1cc(CS(=O)(=O)N[C@@]23CCC[C@@H]2C3)sn1
365636140	ZINC000641603704	ref	1.31	-30.05	0	276.34	1.529	1	4	5	COc1ccc(-c2n[n-]c(=N[C@@H](C)C[NH+](C)C)o2)cc1
178302436	ZINC000082802945	high	0.2	-16.38	0	294.376	0.177	2	4	2	O=C(N[C@H]1CCS(=O)(=O)C1)[C@H]1CNCc2ccccc21
365636145	ZINC000641603704	high	-1.5	-43.34	-1	276.34	1.529	0	5	5	COc1ccc(-c2n[n-]c(=N[C@@H](C)CN(C)C)o2)cc1
365636153	ZINC000641603623	ref	0.82	-11.01	0	283.34	1.112	2	3	6	C[C@]1(CS(=O)(=O)N[C@@H](CO)C2CCC2)CC1(F)F
365636161	ZINC000641603580	ref	3.87	-9.13	0	273.398	1.808	1	3	5	O=S(=O)(CC[C@@H]1CCCCO1)N[C@@]12CCC[C@@H]1C2
365636168	ZINC000641603493	ref	1.55	-12.38	0	279.402	1.147	1	4	9	COC[C@@H](CCNS(=O)(=O)CC1(C)CCC1)OC
365636184	ZINC000641603140	ref	-1.83	-44.97	-1	291.351	1.843	1	5	6	COc1ccc(-c2n[n-]c(=NC[C@H](CO)C(C)C)o2)cc1
178302439	ZINC000082802933	ref	6.95	-86.74	0	288.347	1.197	1	3	2	O=C([O-])C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1
365636192	ZINC000641602980	ref	1.6	-15.12	0	289.397	1.041	1	4	6	COC1CC(CCNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1
214185869	ZINC000293599173	ref	9.08	-25.98	0	357.414	0.483	0	6	5	CN(C(=O)[C@@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1)c1ccccc1
214185876	ZINC000293598961	ref	3.01	-21.57	0	368.381	0.86	0	5	4	Cc1nn(CC(F)(F)F)cc1C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1
214185879	ZINC000293594041	ref	2.88	-10.25	0	369.443	0.906	2	7	3	COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)n1
306234676	ZINC000557912038	ref	6.17	-6.94	0	327.421	1.621	0	5	4	CCOC(=O)C(C)(C)CC(=O)N1CCOCC2(CCOCC2)C1
342595984	ZINC000616974734	ref	3.74	-19.5	0	282.29	1.292	2	2	5	O=C(CCCc1c(F)cccc1F)N[C@H]1CCNC1=O
214185885	ZINC000293587463	ref	0.24	-25.02	0	371.459	0.605	1	6	8	COC[C@@H]1CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
214185888	ZINC000293587463	low	3.16	-45.06	1	371.459	0.605	2	5	8	COC[C@@H]1CC[N@@H+]1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
214185892	ZINC000293587463	low	3.19	-51.58	1	371.459	0.605	2	5	8	COC[C@@H]1CC[N@H+]1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
349534893	ZINC000594968997	high	6.16	-9.85	0	277.349	2.692	1	5	6	Cc1ccncc1CCNCc1csc([N+](=O)[O-])c1
214185895	ZINC000293592654	ref	2.25	-20.84	0	370.427	0.572	0	6	4	COc1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc2c1OCCO2
197593392	ZINC000290095339	ref	7.26	-54.31	1	269.366	2.299	1	4	5	COC(=O)c1ccc(C[NH2+]C[C@H]2CCCSC2)o1
197593393	ZINC000290095339	high	5.89	-8.45	0	269.366	2.299	1	5	5	COC(=O)c1ccc(CNC[C@H]2CCCSC2)o1
342595985	ZINC000616974749	ref	3.74	-18.35	0	260.337	1.602	2	2	2	CC(C)(C)c1cccc(C(=O)N[C@@H]2CCNC2=O)c1
214185901	ZINC000293593648	ref	2.25	-17.56	0	362.455	0.959	1	5	5	C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1
214185904	ZINC000293597279	ref	-0.94	-22.67	0	366.805	0.491	4	6	7	C[C@](O)(C(=O)Nc1cnn(CC(=O)NCCO)c1)c1ccc(Cl)cc1
214185909	ZINC000293597026	ref	2.83	-18.1	0	356.404	0.591	1	6	4	Cc1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(N)c([N+](=O)[O-])c1
342595986	ZINC000364823170	ref	3.42	-23.5	0	282.34	1.069	1	4	5	C=CCCO[C@H](C)C(=O)N1CCC[C@]2(CNC(=O)O2)C1
342595987	ZINC000616975071	ref	7.2	-10.93	0	254.374	1.892	0	2	6	CCCN1C[C@@H](C(=O)N(CC)[C@@H](C)CC)CC1=O
342595988	ZINC000616974941	ref	4.64	-8.0	0	254.334	1.185	0	5	7	CC[C@@H](C)N(CC)C(=O)c1cn(CCOC)nn1
342595989	ZINC000590782041	ref	1.49	-8.04	0	297.38	1.206	2	5	6	CCOc1ncc(C)cc1NC(=O)C(=O)NCCSC
342595990	ZINC000616975389	ref	3.8	-8.38	0	296.371	1.125	0	6	6	CC[C@@H](C)N(CC)C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1
342595991	ZINC000616975308	ref	5.67	-11.34	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1cncc(-n2ccnn2)c1
343993976	ZINC000599270831	ref	4.17	-11.95	0	262.313	1.081	1	5	4	CC(C)C[C@@H](C#N)NC(=O)c1cn2c(n1)COCC2
365636062	ZINC000274361553	ref	2.59	-13.13	0	286.335	1.764	3	4	6	O=C(NC[C@H](CCO)c1ccccc1)Nc1cncnc1
306234677	ZINC000557900674	ref	8.29	-26.91	0	334.343	1.505	1	8	3	Cc1cc(NC(=O)c2ccnc3c2ncn3C)ccc1-n1cnnn1
282122693	ZINC000151670195	ref	10.51	-13.75	0	322.368	2.194	0	5	3	C[C@@H]([C@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc2nncn2c1
282122698	ZINC000151680333	ref	6.7	-18.6	0	309.37	2.011	1	5	6	CC(C)C[C@@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1
178302432	ZINC000237222954	low	5.47	-12.2	0	360.483	1.729	2	4	6	COc1ccccc1[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1[nH+]ccn1C
178302435	ZINC000237222954	high	5.47	-12.2	0	360.483	1.729	2	6	6	COc1ccccc1[C@@H](NC(=O)C[C@@H]1CSCCN1)c1nccn1C
214185871	ZINC000053517356	mid	11.86	-52.96	1	332.411	3.337	2	4	5	C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)Cc1nc2ccccc2[nH]1
178302438	ZINC000237200207	ref	5.16	-53.25	1	358.486	1.792	2	3	5	CN1CCN(C(=O)c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1
365636070	ZINC000274362512	ref	1.61	-12.14	0	291.298	1.422	1	5	7	CO[C@@H](CNC(=O)c1cc(OC(F)F)n(C)n1)C(C)C
178302441	ZINC000237200207	mid	7.51	-96.24	2	358.486	1.792	3	2	5	C[NH+]1CCN(C(=O)c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)CC1
365636078	ZINC000274362175	ref	5.99	-14.16	0	283.393	1.599	0	3	6	CO[C@H](C(=O)N(C)[C@@H](C)C[S@@](C)=O)c1ccccc1
178302445	ZINC000237215217	ref	7.51	-51.05	1	366.421	1.884	1	5	3	CN(C(=O)Cn1cnc2c(oc3ccccc32)c1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302448	ZINC000237202450	ref	6.08	-93.91	2	374.529	1.25	3	3	9	CN1CC[N@H+](CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](c2ccccc2)C1
365636091	ZINC000274362768	ref	3.72	-12.7	0	296.367	1.754	2	3	4	NC(=O)[C@@H](NC(=O)[C@@H]1CCCCS1)c1ccc(F)cc1
342595992	ZINC000616974997	ref	6.32	-8.77	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1cn(-c2cccnc2)nn1
365636097	ZINC000274362173	ref	6.11	-14.1	0	283.393	1.599	0	3	6	CO[C@H](C(=O)N(C)[C@H](C)C[S@](C)=O)c1ccccc1
342595993	ZINC000616976004	ref	2.95	-19.73	0	278.418	1.482	1	3	9	CC[C@@H](C)N(CC)C(=O)CCCCCS(N)(=O)=O
342595994	ZINC000616976593	ref	4.89	-15.91	0	275.414	1.848	0	3	5	CC[C@@H](C)N(CC)C(=O)C[C@@H]1CCCS(=O)(=O)C1
214185874	ZINC000053501990	ref	8.69	-11.51	0	330.384	3.025	1	4	5	COC(=O)c1cc(CN(C)C(=O)NCc2ccc(C)cc2)oc1C
398249249	ZINC000650874527	mid	7.19	-37.49	1	286.391	1.691	1	2	3	CC(C)[C@H](C(=O)N1CC[C@H](F)C1)[NH+]1C[C@@H](C)O[C@H](C)C1
214185880	ZINC000053494696	ref	3.17	-16.19	0	341.477	2.114	3	3	9	CCCCNC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
343993978	ZINC000599270301	ref	5.58	-43.68	1	252.358	1.542	2	3	6	C[N@H+](C[C@H](O)CC1(C#N)CC1)C[C@H]1CCCCO1
343993980	ZINC000599270301	mid	5.58	-42.25	1	252.358	1.542	2	3	6	C[N@@H+](C[C@H](O)CC1(C#N)CC1)C[C@H]1CCCCO1
365636065	ZINC000576597323	low	4.57	-34.43	1	234.259	1.129	1	4	4	CCn1cc[nH+]c1CNC(=O)c1cc(C)no1
214185883	ZINC000053505417	ref	8.1	-16.59	0	338.411	2.794	1	4	6	CN(Cc1cnn(C)c1)C(=O)NCCOc1ccc2ccccc2c1
214185889	ZINC000053501920	ref	7.63	-12.8	0	343.452	2.724	1	3	3	Cc1ccc(CNC(=O)N2CCN(C(=O)c3cccs3)CC2)cc1
185088948	ZINC000096077051	ref	8.31	-46.53	1	276.38	2.647	1	2	3	CCN1C(=O)CCC[C@@]12CCC[N@H+](Cc1ccco1)C2
214185891	ZINC000053508747	ref	4.69	-9.94	0	327.222	2.988	2	2	4	C[C@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1Br
197593402	ZINC000290096790	ref	1.8	-9.96	0	290.722	1.686	3	3	5	C[C@H](O)CN(CCO)C(=O)Nc1cccc(Cl)c1F
214185894	ZINC000053513861	ref	6.79	-12.34	0	347.802	2.601	1	3	3	O=C(NCc1ccccc1Cl)N1CCN(C(=O)c2ccco2)CC1
185088950	ZINC000096077051	mid	8.03	-47.35	1	276.38	2.647	1	2	3	CCN1C(=O)CCC[C@@]12CCC[N@@H+](Cc1ccco1)C2
214185897	ZINC000053508749	ref	4.66	-10.01	0	327.222	2.988	2	2	4	C[C@@H](NC(=O)NC[C@@H]1CCCO1)c1ccccc1Br
185088952	ZINC000096077051	high	7.99	-9.19	0	276.38	2.647	0	3	3	CCN1C(=O)CCC[C@@]12CCCN(Cc1ccco1)C2
342079258	ZINC000625302653	ref	5.0	-8.84	0	254.374	1.402	2	2	6	CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)C1CC1
342079259	ZINC000625302653	mid	7.22	-42.66	1	254.374	1.402	2	2	6	CCO[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)C1CC1
342079260	ZINC000625302653	high	5.0	-8.84	0	254.374	1.402	1	3	6	CCO[C@@H](C(=O)N[C@H]1CCCN(CC)C1)C1CC1
342079261	ZINC000625302018	ref	5.59	-43.21	1	264.373	1.249	1	4	4	Cn1cc(CC[N@@H+]2CCC[C@@H]2C2CCOCC2)nn1
342079262	ZINC000625302018	mid	6.25	-42.49	1	264.373	1.249	1	4	4	Cn1cc(CC[N@H+]2CCC[C@@H]2C2CCOCC2)nn1
342079263	ZINC000618607173	ref	4.62	-17.87	0	262.3	1.406	1	2	6	CN(C)C(=O)CCCC(=O)NC[C@@]1(C)CC1(F)F
342079264	ZINC000077837415	ref	1.79	-8.96	0	258.387	1.508	3	3	6	CSC[C@H](CCO)NC(=O)N[C@@H]1CC=CCC1
365636074	ZINC000576598908	ref	5.28	-6.61	0	235.375	3.085	2	1	3	Cc1nc(C[NH2+][C@@H]2CCC[C@@H](C)CC2)[nH]c1C
398249250	ZINC000649443272	ref	7.84	-39.58	1	231.339	3.242	1	1	5	CCCCOc1ccccc1C1=CC[NH2+]CC1
398249255	ZINC000649443057	ref	5.68	-9.47	0	200.241	2.022	0	3	1	Cn1ccc(-c2ccc3c(c2)CCO3)n1
398249258	ZINC000649443226	ref	3.23	-47.48	1	204.273	1.775	1	2	2	COc1ccc(C2=CC[NH2+]CC2)c(C)n1
365636084	ZINC000576598908	high	5.28	-6.61	0	235.375	3.085	2	2	3	Cc1nc(CN[C@@H]2CCC[C@@H](C)CC2)[nH]c1C
398249260	ZINC000649443129	ref	4.85	-79.65	0	229.279	1.947	1	2	1	Cc1cc2c(c(C3=CC[NH2+]CC3)c1)OCC2=O
342595995	ZINC000616975820	ref	7.75	-12.45	0	292.379	1.585	0	3	5	CC[C@@H](C)N(CC)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O
365636094	ZINC000576597450	ref	6.11	-50.39	1	247.264	2.634	1	2	4	Cc1ncncc1[C@@H](C)[NH2+]C[C@@H](C)C(F)(F)F
365636103	ZINC000576597450	high	5.24	-6.01	0	247.264	2.634	1	3	4	Cc1ncncc1[C@@H](C)NC[C@@H](C)C(F)(F)F
365636108	ZINC000576598316	ref	3.16	-49.33	1	239.363	1.913	3	1	8	C=CCCCCCNC(=O)NCC1([NH3+])CCC1
342595996	ZINC000616974926	ref	3.12	-15.6	0	273.354	1.944	0	4	5	CC[C@@H](C)N(CC)C(=O)c1coc(S(C)(=O)=O)c1
178302447	ZINC000073638725	ref	7.12	-8.16	0	237.302	4.035	0	2	2	Cc1cc2nc(Cc3ccccc3)oc2cc1C
365636120	ZINC000576598018	ref	8.22	-9.6	0	249.354	2.249	0	2	4	CC(C)N(CC1CC1)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
365636136	ZINC000576597693	ref	7.5	-47.39	1	233.359	2.875	1	2	9	C=CCCCCC[NH2+]Cc1cnc(CC)nc1
365636144	ZINC000576597693	high	6.15	-4.47	0	233.359	2.875	1	3	9	C=CCCCCCNCc1cnc(CC)nc1
365636150	ZINC000576597007	ref	0.36	-11.09	0	238.287	0.559	2	4	5	CC[C@H](CO)N(C)C(=O)Cc1cncc(O)c1
365636158	ZINC000576597007	high	1.13	-52.43	-1	238.287	0.559	1	4	5	CC[C@H](CO)N(C)C(=O)Cc1cncc([O-])c1
365636167	ZINC000576598493	ref	-4.31	-9.88	0	237.325	-1.551	2	4	4	CNS(=O)(=O)N1CCN(CCO)C[C@H]1C
365636177	ZINC000576598493	mid	-2.16	-40.7	1	237.325	-1.551	3	3	4	CNS(=O)(=O)N1CC[N@H+](CCO)C[C@H]1C
365636181	ZINC000576598493	mid	-2.02	-45.15	1	237.325	-1.551	3	3	4	CNS(=O)(=O)N1CC[N@@H+](CCO)C[C@H]1C
365636189	ZINC000576597546	ref	8.04	-9.63	0	230.336	3.546	0	3	3	N#Cc1ncccc1SCC1=CCCCC1
365636197	ZINC000576598516	ref	7.26	-13.5	0	241.36	1.581	1	5	6	CC(C)CSCCNc1cc(=O)n(C)cn1
365636208	ZINC000576598017	ref	9.48	-13.46	0	249.354	2.249	0	2	4	CC(C)N(CC1CC1)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
365636213	ZINC000576596603	ref	3.48	-12.49	0	240.303	2.381	1	4	6	CCCc1coc(NC(=O)CC(C)(C)OC)n1
398249263	ZINC000649443129	high	4.85	-79.65	0	229.279	1.947	1	2	1	Cc1cc(C2=CC[NH2+]CC2)c2occ([O-])c2c1
214185899	ZINC000053517273	ref	4.53	-18.46	0	327.344	1.08	1	7	7	COCCOc1ccc(CNC(=O)c2cn3cccnc3n2)cn1
214185903	ZINC000053494405	ref	2.68	-16.13	0	327.331	1.695	2	3	5	NC(=O)C1CCN(C(=O)NCc2ccc(OC(F)F)cc2)CC1
214185907	ZINC000053508755	ref	4.7	-9.76	0	327.222	2.988	2	2	4	C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccccc1Br
214185910	ZINC000053514796	ref	3.87	-21.17	0	332.356	2.33	2	5	6	COc1ccc(NC(=O)c2c(C)oc(C)c2C)cc1OCC(N)=O
214185912	ZINC000053516521	ref	8.24	-15.82	0	331.395	2.516	0	5	4	C[C@H]1CCCC[C@H]1N(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1
365636082	ZINC000623069024	ref	3.81	-11.54	0	322.434	1.485	2	4	2	Cc1ccc(NC(=O)N2CCC[C@H](N3CCNCC3=O)C2)s1
214185915	ZINC000053513525	ref	10.91	-42.26	1	329.488	3.339	2	1	3	C[C@@H]1C[C@@H](C)CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1
178302442	ZINC000082802933	high	5.56	-50.19	-1	288.347	1.197	1	4	2	O=C([O-])C1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1
342079265	ZINC000625301869	ref	6.82	-12.28	0	286.379	1.624	0	4	2	Cc1ccc(N2CCCN(C(=O)C34CC(C3)C4)CC2)nn1
365636088	ZINC000623069024	mid	5.19	-53.89	1	322.434	1.485	2	3	2	Cc1ccc(NC(=O)N2CCC[C@H](N3CC[NH2+]CC3=O)C2)s1
342079266	ZINC000625303288	ref	7.97	-38.55	1	297.443	1.879	1	2	5	CCO[C@@H](C[N@@H+]1CCN(C(=O)N(C)C)CC1(C)C)C1CC1
214185918	ZINC000053513525	high	8.55	-8.06	0	329.488	3.339	1	2	3	C[C@@H]1C[C@@H](C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
342079267	ZINC000625303288	mid	8.17	-41.82	1	297.443	1.879	1	2	5	CCO[C@@H](C[N@H+]1CCN(C(=O)N(C)C)CC1(C)C)C1CC1
342079268	ZINC000625303288	mid	6.16	-9.57	0	297.443	1.879	0	3	5	CCO[C@@H](CN1CCN(C(=O)N(C)C)CC1(C)C)C1CC1
214185920	ZINC000053500095	ref	5.93	-58.11	1	342.262	2.474	1	4	5	Cc1cc(C)n(CC[NH2+]Cc2cc(Br)cs2)c(=O)n1
214185923	ZINC000053500095	high	4.57	-16.22	0	342.262	2.474	1	5	5	Cc1cc(C)n(CCNCc2cc(Br)cs2)c(=O)n1
342079269	ZINC000625301281	ref	2.81	-16.45	0	295.364	1.046	2	4	8	O=S(=O)(CCOCc1ccccc1)NCc1c[nH]cn1
214185928	ZINC000053507815	ref	4.01	-19.68	0	346.836	1.547	1	4	5	CN(CCOc1ccc(Cl)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1
342079270	ZINC000625301281	mid	3.32	-46.39	1	295.364	1.046	2	4	8	O=S(=O)(CCOCc1ccccc1)NCc1cnc[nH]1
342079271	ZINC000625301281	low	3.31	-46.44	1	295.364	1.046	2	3	8	O=S(=O)(CCOCc1ccccc1)NCc1c[nH+]c[nH]1
185091428	ZINC000096081291	low	8.31	-50.65	1	274.368	1.005	1	3	4	Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1
365636087	ZINC000625076187	low	4.25	-44.64	1	322.331	2.071	2	4	6	C[C@H](CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)C(F)(F)F
365636098	ZINC000625078092	ref	1.74	-11.22	0	305.353	2.424	1	4	7	CC(C)CN(CC(N)=O)Cc1coc(-c2ccccc2F)n1
342595997	ZINC000616975295	ref	4.32	-15.64	0	276.34	1.998	0	5	5	CC[C@@H](C)N(CC)C(=O)c1cnc2ccc(OC)nn12
365636110	ZINC000625078092	low	4.3	-42.22	1	305.353	2.424	2	3	7	CC(C)C[N@H+](CC(N)=O)Cc1coc(-c2ccccc2F)n1
282122701	ZINC000362747515	mid	5.9	-49.35	1	277.372	0.215	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)CC2
282122709	ZINC000493898680	ref	2.37	-45.73	1	251.334	0.001	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])CC2
365636117	ZINC000625078092	low	3.96	-43.73	1	305.353	2.424	2	3	7	CC(C)C[N@@H+](CC(N)=O)Cc1coc(-c2ccccc2F)n1
365636129	ZINC000625075112	ref	6.44	-12.88	0	314.389	2.034	1	6	3	Cc1nnc(N2CCc3c(O)cccc3C2)n1C[C@H]1CCCO1
365636139	ZINC000625076586	ref	6.27	-9.8	0	301.452	2.301	1	3	9	CCO[C@@H](CS(=O)(=O)NCC1(C2CC2)CCC1)C1CC1
365636149	ZINC000625077460	ref	1.95	-8.09	0	302.33	2.499	1	5	4	CCc1cccc2c1OCC[C@H]2NC(=O)c1coc(OC)n1
349534894	ZINC000093281806	mid	4.4	-11.54	0	270.373	0.986	0	4	4	COC(=O)C(C)(C)[C@@H]1CCCN(CC(=O)N(C)C)C1
342595998	ZINC000616976594	ref	5.02	-16.11	0	275.414	1.848	0	3	5	CC[C@H](C)N(CC)C(=O)C[C@H]1CCCS(=O)(=O)C1
365636160	ZINC000625076840	ref	7.08	-12.75	0	313.394	2.333	0	3	6	CCO[C@@H](CS(=O)(=O)N1CCc2cccc(F)c21)C1CC1
365636172	ZINC000625079107	ref	3.87	-10.18	0	319.373	2.368	1	3	7	COCCC1(CNS(=O)(=O)c2ccc(C)c(F)c2F)CC1
365636180	ZINC000625079107	high	3.78	-48.06	-1	319.373	2.368	0	3	7	COCCC1(C[N-]S(=O)(=O)c2ccc(C)c(F)c2F)CC1
342595999	ZINC000616974929	ref	5.02	-13.97	0	253.346	1.827	0	4	6	CC[C@@H](C)N(CC)C(=O)c1cn(C)nc1COC
342596000	ZINC000616975422	ref	3.9	-14.24	0	285.369	1.141	0	5	5	CC[C@H](C)N(CC)C(=O)c1ccnc(S(C)(=O)=O)n1
342596001	ZINC000616974972	ref	7.31	-11.98	0	290.371	1.617	1	6	5	CC[C@H](C)N(CC)C(=O)[C@H](C)n1cnc2c(N)ncnc21
398249252	ZINC000650874517	ref	6.93	-11.52	0	270.348	1.594	0	2	4	CCC[C@@H](C)N1C[C@H](C(=O)N2CC[C@H](F)C2)CC1=O
365636190	ZINC000625079122	ref	4.13	-10.89	0	321.508	2.397	1	4	5	CCC(C)(C)CS(=O)(=O)N[C@H]1CCO[C@]2(CCSC2)C1
365636201	ZINC000625077422	ref	5.58	-9.86	0	323.458	2.496	1	3	6	CC1(C)C[C@H](S(=O)(=O)NCC2(Cc3ccccc3)CC2)CO1
342596002	ZINC000616975417	ref	5.22	-12.99	0	250.346	1.872	1	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCCc2nn[nH]c21
214185905	ZINC000337626423	mid	3.77	-12.22	0	259.353	0.871	1	3	5	O=C(CN1CCc2ccccc21)NCCN1CCC1
214185906	ZINC000337625406	ref	6.24	-13.01	0	283.322	2.453	1	2	4	O=C(NCCc1ccccn1)N1CCCC[C@H]1C(F)F
214185908	ZINC000337624785	ref	4.86	-12.95	0	281.315	3.4	1	4	2	Cc1ccc(C(=O)Nc2cnc3onc(C)c3c2)c(C)c1
214185911	ZINC000337628004	ref	3.45	-42.6	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1
214185914	ZINC000337628004	mid	3.14	-42.85	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1
214185916	ZINC000337626997	ref	9.1	-13.74	0	275.315	2.312	1	5	3	c1ccc2c(NCc3ccn4ccnc4c3)ncnc2c1
214185919	ZINC000337626997	low	9.59	-38.02	1	275.315	2.312	1	4	3	c1ccc2c(NCc3ccn4cc[nH+]c4c3)ncnc2c1
214185922	ZINC000337626740	ref	-2.52	-9.84	0	287.36	-0.842	3	5	5	C[C@@](O)(CNC(=O)N[C@H]1CCOC1)CN1CCOCC1
214185924	ZINC000337626740	mid	-0.84	-44.2	1	287.36	-0.842	4	4	5	C[C@@](O)(CNC(=O)N[C@H]1CCOC1)C[NH+]1CCOCC1
342596003	ZINC000616975386	ref	5.23	-9.92	0	251.33	1.674	0	4	4	CC[C@H](C)N(CC)C(=O)c1cnc2n1CCOC2
214185926	ZINC000337627275	ref	4.77	-44.73	1	296.415	-0.439	1	3	4	C[C@H]1CC[N@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1
214185927	ZINC000337627275	mid	4.84	-45.02	1	296.415	-0.439	1	3	4	C[C@H]1CC[N@@H+](CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1
214185930	ZINC000337627275	high	2.03	-13.02	0	296.415	-0.439	0	4	4	C[C@H]1CCN(CC(=O)N2CCN(CC(=O)N(C)C)CC2)C1
282122702	ZINC000194650689	ref	7.56	-83.2	2	295.427	0.65	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1
342596004	ZINC000616974767	ref	3.96	-16.71	0	258.321	1.103	2	2	3	Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@H]1CCNC1=O
282122719	ZINC000194650689	high	5.11	-41.1	1	295.427	0.65	1	3	4	CN(C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCO1
214185938	ZINC000337624509	ref	-1.73	-12.88	0	279.387	0.441	2	5	7	COCCCCCN=c1[nH]cc(S(N)(=O)=O)s1
214185940	ZINC000337624509	mid	-1.22	-11.88	0	279.387	0.441	2	6	8	COCCCCCNc1ncc(S(N)(=O)=O)s1
214185943	ZINC000337624509	mid	-1.95	-35.74	-1	279.387	0.441	1	5	7	COCCCCCN=c1[n-]cc(S(N)(=O)=O)s1
214185947	ZINC000337625332	ref	2.82	-24.01	0	253.327	0.801	2	4	6	CCc1cccnc1NC(=O)CSCC(N)=O
214185949	ZINC000337626317	ref	1.8	-20.74	0	283.295	-0.157	2	6	3	Cn1cc2c(=NCc3ccc(C(N)=O)nc3)ncnc-2[nH]1
342596005	ZINC000590782029	ref	2.57	-6.79	0	287.772	1.461	2	4	4	CSCCNC(=O)C(=O)Nc1cncc(Cl)c1C
365636092	ZINC000617433122	ref	5.67	-19.83	0	250.302	0.827	1	5	5	C[C@H]1C[C@@H](NC(=O)COCC2CC2)c2ncnn21
342596006	ZINC000616974788	ref	2.36	-22.87	0	272.226	1.382	2	2	3	O=C(N[C@H]1CCNC1=O)c1ccc(C(F)F)cc1F
365636101	ZINC000617433365	ref	2.85	-28.43	0	285.307	0.813	2	5	3	C[C@@H]1C[C@H](NC(=O)c2cccc(C(N)=O)c2)c2ncnn21
365636107	ZINC000617432052	ref	4.64	-20.34	0	260.301	0.858	1	6	3	C[C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccn2)c2ncnn21
342596007	ZINC000616975342	ref	7.36	-18.05	0	253.346	1.584	0	4	7	CC[C@@H](C)N(CC)C(=O)COCc1nccn1C
365636118	ZINC000617432414	ref	4.1	-15.64	0	258.285	0.812	1	6	2	Cc1nccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)n1
365636130	ZINC000617432879	ref	7.09	-23.11	0	283.295	0.757	1	7	2	C[C@H]1C[C@@H](NC(=O)c2cn3cccnc3n2)c2ncnn21
365636137	ZINC000617433934	ref	4.61	-22.08	0	277.328	0.268	1	5	3	CCN1C[C@H](C(=O)N[C@H]2C[C@H](C)n3ncnc32)CC1=O
365636147	ZINC000617433364	ref	2.85	-28.39	0	285.307	0.813	2	5	3	C[C@H]1C[C@@H](NC(=O)c2cccc(C(N)=O)c2)c2ncnn21
365636154	ZINC000617431587	ref	4.32	-16.36	0	293.371	0.951	2	5	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365636165	ZINC000617432050	ref	4.66	-24.17	0	260.301	0.858	1	6	3	C[C@H]1C[C@H](NC(=O)[C@@H](C)n2cccn2)c2ncnn21
342596008	ZINC000616975385	ref	8.03	-12.2	0	279.384	1.784	0	4	4	CC[C@H](C)N(CC)C(=O)c1c2n(c(=O)n1C)CCCC2
342596009	ZINC000616975343	ref	7.48	-17.93	0	253.346	1.584	0	4	7	CC[C@H](C)N(CC)C(=O)COCc1nccn1C
185091430	ZINC000096081291	low	8.15	-51.59	1	274.368	1.005	1	3	4	Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1
365636173	ZINC000617433935	ref	4.6	-21.43	0	277.328	0.268	1	5	3	CCN1C[C@H](C(=O)N[C@H]2C[C@@H](C)n3ncnc32)CC1=O
342596010	ZINC000616974955	ref	8.15	-16.28	0	264.373	1.882	0	4	6	CC[C@H](C)N(CC)C(=O)Cc1nc(C2CC2)nn1C
365636179	ZINC000617433936	ref	4.61	-20.03	0	277.328	0.268	1	5	3	CCN1C[C@H](C(=O)N[C@@H]2C[C@H](C)n3ncnc32)CC1=O
342596011	ZINC000590782027	ref	4.08	-11.77	0	292.36	1.233	2	4	4	CSCCNC(=O)C(=O)Nc1ccc2c(c1)CCC2=O
342596012	ZINC000364823169	ref	3.44	-23.89	0	282.34	1.069	1	4	5	C=CCCO[C@@H](C)C(=O)N1CCC[C@]2(CNC(=O)O2)C1
365636187	ZINC000617431607	ref	5.17	-21.81	0	274.328	0.914	1	6	3	Cc1cc(C)n(CC(=O)N[C@@H]2C[C@H](C)n3ncnc32)n1
349534896	ZINC000618812925	ref	3.66	-10.9	0	262.357	1.072	2	3	3	N#CCN1CCC(NC(=O)N[C@H]2[C@H]3CCC[C@H]32)CC1
365636194	ZINC000617431606	ref	5.19	-25.62	0	274.328	0.914	1	6	3	Cc1cc(C)n(CC(=O)N[C@H]2C[C@H](C)n3ncnc32)n1
178302451	ZINC000237202450	mid	5.45	-95.13	2	374.529	1.25	3	3	9	CN1CC[N@@H+](CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](c2ccccc2)C1
342079272	ZINC000625301281	low	3.31	-46.44	1	295.364	1.046	2	3	8	O=S(=O)(CCOCc1ccccc1)NCc1c[nH]c[nH+]1
214185917	ZINC000293591205	ref	7.44	-14.24	0	367.417	0.37	0	9	3	Cc1nccc(N2CCN(C(=O)c3nnn(-c4ccn(C)n4)c3C)CC2)n1
214185921	ZINC000293591205	low	7.89	-40.07	1	367.417	0.37	0	8	3	Cc1nc(N2CCN(C(=O)c3nnn(-c4ccn(C)n4)c3C)CC2)cc[nH+]1
214185925	ZINC000293593769	ref	-0.41	-13.19	0	362.386	0.534	3	7	6	COc1cc(NC(=O)C(=O)N[C@@H](CO)c2cnn(C)c2)cc(OC)c1C
214185929	ZINC000293597037	ref	2.29	-66.75	0	374.482	0.811	2	4	10	CN(C)CC[N@H+](C)CCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O
178302453	ZINC000237202450	mid	5.8	-94.95	2	374.529	1.25	3	3	9	C[N@@H+]1CCN(CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](c2ccccc2)C1
214185933	ZINC000293597037	mid	2.27	-66.76	0	374.482	0.811	2	4	10	CN(C)CC[N@@H+](C)CCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O
214185936	ZINC000293597037	mid	2.44	-66.5	0	374.482	0.811	2	4	10	CN(CCCNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)CC[NH+](C)C
214185937	ZINC000293596086	ref	2.55	-28.18	0	368.455	0.714	2	5	6	Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](CS(C)(=O)=O)C2)c(O)c1
214185941	ZINC000293596086	high	3.56	-75.92	-1	368.455	0.714	1	5	6	Cc1ccc(C(=O)NCCC(=O)N2CC[C@H](CS(C)(=O)=O)C2)c([O-])c1
214185942	ZINC000293596084	ref	2.57	-28.28	0	368.455	0.714	2	5	6	Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c(O)c1
349534897	ZINC000594968868	ref	4.79	-56.83	1	292.404	2.607	1	3	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3cnccc3o2)C1
214185945	ZINC000293596084	high	3.58	-75.94	-1	368.455	0.714	1	5	6	Cc1ccc(C(=O)NCCC(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c([O-])c1
214185948	ZINC000293595071	ref	4.45	-56.6	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1
178302458	ZINC000237202450	mid	6.24	-94.17	2	374.529	1.25	3	3	9	C[N@H+]1CCN(CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](c2ccccc2)C1
342079273	ZINC000046551839	ref	3.42	-18.56	0	299.417	1.39	1	4	4	Cc1ccccc1SCC(=O)N[C@@H]1CCS(=O)(=O)C1
398249254	ZINC000651462656	mid	5.67	-44.22	1	291.42	3.351	2	3	4	Cc1[nH]ncc1[C@H](C)[NH2+][C@H]1CCO[C@@H](c2cccs2)C1
178302459	ZINC000237202450	high	3.85	-42.75	1	374.529	1.25	2	4	9	CN1CCN(CCCNC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](c2ccccc2)C1
365636100	ZINC000623069070	ref	4.18	-47.85	1	324.45	1.908	3	3	5	Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])s1
365636112	ZINC000623069480	ref	3.5	-50.91	1	303.41	1.932	3	3	6	[NH3+]CC1(CCNC(=O)Nc2cccnc2N2CCCC2)CC1
365636123	ZINC000623068788	ref	2.58	-52.13	1	306.391	1.593	3	4	5	CN(C[C@H](O)C[NH3+])C(=O)Nc1ncc(-c2ccccc2)s1
365636131	ZINC000623069229	ref	3.58	-104.55	2	304.316	1.759	4	1	5	C[NH+](C)Cc1cccc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1
365636142	ZINC000623069229	high	1.1	-58.47	1	304.316	1.759	3	2	5	CN(C)Cc1cccc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1
365636151	ZINC000623068658	ref	0.35	-54.31	1	313.361	1.945	3	4	3	COc1ccc(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)cn1
365636159	ZINC000623069162	ref	0.51	-53.16	1	313.361	1.945	3	4	3	COc1ncccc1NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2
365636166	ZINC000623069225	ref	0.64	-73.08	0	304.379	1.123	2	4	1	Cc1n[n-]c(=NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)s1
365636175	ZINC000623068463	ref	-0.03	-46.89	1	304.35	1.065	4	3	3	CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
342596013	ZINC000616975876	ref	5.21	-43.28	-1	262.313	1.283	0	4	4	CC[C@H](C)N(CC)C(=O)c1c[n-]n2c(=O)ccnc12
365636182	ZINC000623068463	high	-2.04	-91.09	0	304.35	1.065	3	3	3	CC(C)(C)[C@H](C[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
398249256	ZINC000650874746	ref	2.85	-13.57	0	297.355	1.089	2	5	5	COC[C@@H]1C[C@@H](O)CN1C(=O)NCc1cc(C(C)C)no1
365636191	ZINC000623067980	ref	6.44	-54.38	1	319.796	1.697	1	4	2	C[C@@H]1[C@H]([NH3+])CCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365636205	ZINC000623067947	ref	2.28	-48.51	1	307.398	1.039	3	4	5	COCCn1cc(NC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cn1
365636214	ZINC000623068150	ref	1.33	-52.57	1	304.35	1.426	2	5	8	COCc1nc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)no1
365636221	ZINC000623069448	ref	1.05	-54.53	1	317.349	1.237	3	5	4	O=C(NC[C@H]1C[NH2+]CCCO1)Nc1ccc(-c2ncon2)cc1
365636234	ZINC000623068789	ref	2.92	-51.85	1	306.391	1.593	3	4	5	CN(C[C@@H](O)C[NH3+])C(=O)Nc1ncc(-c2ccccc2)s1
365636242	ZINC000623069224	ref	0.64	-73.6	0	304.379	1.123	2	4	1	Cc1n[n-]c(=NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)s1
365636252	ZINC000623069228	ref	3.54	-102.08	2	304.316	1.759	4	1	5	C[NH+](C)Cc1cccc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1
342596014	ZINC000616974951	ref	2.55	-19.3	0	299.33	1.51	3	4	5	O=C(N[C@H]1CCNC1=O)c1ccccc1NCc1ccco1
342596015	ZINC000616975384	ref	7.83	-12.25	0	279.384	1.784	0	4	4	CC[C@@H](C)N(CC)C(=O)c1c2n(c(=O)n1C)CCCC2
214185931	ZINC000053505767	ref	5.69	-10.33	0	325.84	2.454	1	3	5	CC(C)NC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1
214185934	ZINC000053505767	low	7.93	-49.33	1	325.84	2.454	2	2	5	CC(C)NC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1
214185939	ZINC000053509884	ref	4.31	-14.76	0	345.447	0.921	1	4	4	O=C(CN1CCN(C(=O)NCc2ccncc2)CC1)N1CCCCC1
214185944	ZINC000053506503	ref	8.12	-13.39	0	341.459	2.494	1	4	3	O=C(NC1CCCCC1)N1CCN(Cc2cn3ccccc3n2)CC1
214185946	ZINC000053506503	low	8.23	-36.54	1	341.459	2.494	1	3	3	O=C(NC1CCCCC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1
214185950	ZINC000053513005	ref	5.5	-15.81	0	339.461	1.295	1	3	5	C[C@H](CCc1ccccc1)NC(=O)N1CCN(S(C)(=O)=O)CC1
398249257	ZINC000651463423	ref	3.62	-8.83	0	286.709	3.16	2	3	5	OC[C@@H](CCF)Nc1ccnc2cc(F)c(Cl)cc12
398249259	ZINC000651463423	low	4.06	-39.07	1	286.709	3.16	2	2	5	OC[C@@H](CCF)Nc1cc[nH+]c2cc(F)c(Cl)cc12
342596016	ZINC000334236245	ref	4.06	-13.52	0	273.398	1.624	0	3	3	C=CCC(C)(C)C(=O)N1CC[C@@H](C)S(=O)(=O)CC1
214185959	ZINC000053513536	ref	3.48	-21.02	0	345.424	3.002	3	4	5	Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1cc(C(N)=O)cs1
342596017	ZINC000590782035	ref	4.14	-9.77	0	277.349	1.284	2	4	4	CSCCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1
214185962	ZINC000053518276	ref	7.37	-12.55	0	331.416	2.638	1	3	4	O=C(NCCC1=CCCCC1)N1CCN(C(=O)c2ccco2)CC1
214185965	ZINC000053503175	ref	6.71	-22.74	0	335.379	1.293	1	3	7	CCCCN(CC(N)=O)C(=O)[C@@H]1CCN(c2ccc(F)cc2)C1=O
214185970	ZINC000053498525	ref	8.4	-37.61	1	325.294	3.802	1	1	6	C[C@@H](C[NH2+]C1CCCC1)N(C)Cc1ccc(Br)cc1
342596018	ZINC000616975114	ref	6.27	-9.77	0	290.371	1.57	0	6	5	CC[C@@H](C)N(CC)C(=O)c1nnn(-c2cnn(C)c2)c1C
342596019	ZINC000364823171	ref	3.46	-23.5	0	282.34	1.069	1	4	5	C=CCCO[C@@H](C)C(=O)N1CCC[C@@]2(CNC(=O)O2)C1
342596020	ZINC000616974970	ref	2.45	-15.24	0	278.274	1.504	2	2	2	O=C1NCC[C@@H]1NC(=O)C1(C(F)(F)F)CCCCC1
214185974	ZINC000053498525	low	10.19	-120.54	2	325.294	3.802	2	0	6	C[C@@H](C[NH2+]C1CCCC1)[N@H+](C)Cc1ccc(Br)cc1
178305903	ZINC000041053920	ref	6.45	-47.16	1	217.316	2.561	1	2	2	Cc1cc2ncn([C@@H](C)[C@H](C)[NH3+])c2cc1C
214185976	ZINC000053498525	low	10.21	-123.42	2	325.294	3.802	2	0	6	C[C@@H](C[NH2+]C1CCCC1)[N@@H+](C)Cc1ccc(Br)cc1
128584933	ZINC000336812084	ref	9.18	-17.62	0	284.385	2.817	1	6	5	CCn1c(C)nc([N+](=O)[O-])c1NC[C@@H]1CCCCS1
365636105	ZINC000274364234	ref	3.99	-12.29	0	280.372	1.676	2	3	5	Cc1n[nH]cc1CNC(=O)N(C)CCC1CCOCC1
168364844	ZINC000083362786	ref	7.9	-39.85	1	235.371	3.782	1	1	7	CCC(CC)C[NH2+][C@H](C)c1ccc(OC)cc1
178302454	ZINC000045206644	ref	7.53	-41.83	1	229.327	2.442	1	2	3	Cc1cc2nc(C[NH2+]C3CC3)n(C)c2cc1C
214185951	ZINC000293595071	mid	4.36	-50.1	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1
178305904	ZINC000041053920	low	6.93	-103.25	2	217.316	2.561	1	1	2	Cc1cc2[nH+]cn([C@@H](C)[C@H](C)[NH3+])c2cc1C
214185954	ZINC000293595071	high	2.13	-15.11	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1
398249261	ZINC000650873483	ref	3.32	-23.62	0	298.355	1.25	1	3	4	CCS(=O)(=O)C[C@H](C)NC(=O)N1CCCC(F)(F)C1
342079274	ZINC000625304204	ref	6.41	-41.47	1	288.395	1.631	2	4	7	Cn1cc(CC[N@H+](Cc2ccccc2)CC(C)(C)O)nn1
214185960	ZINC000293599193	ref	5.92	-14.88	0	366.422	0.576	2	7	2	Cc1nc(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@@H]2C)nn1C
342079275	ZINC000625304204	mid	6.23	-41.05	1	288.395	1.631	2	4	7	Cn1cc(CC[N@@H+](Cc2ccccc2)CC(C)(C)O)nn1
214185968	ZINC000293586355	ref	4.11	-14.37	0	357.407	0.981	1	4	4	CN(c1ccccc1NC(=O)C(=O)N1CCC[C@H]1CF)S(C)(=O)=O
214185972	ZINC000293598489	ref	7.94	-10.12	0	372.425	0.521	0	7	2	Cn1c(=O)c2ccc(C(=O)N3CCOC[C@H](C4CCC4)C3)nc2n(C)c1=O
214185982	ZINC000293600313	ref	2.51	-13.55	0	364.398	0.834	3	6	8	COCc1cc(NC(=O)[C@H](NC(=O)C2CC2)[C@@H](C)O)cc(C(=O)OC)c1
214185986	ZINC000293591954	ref	2.86	-12.27	0	364.398	0.93	2	6	5	COCc1cc(NC(=O)C(=O)N(C)[C@@H]2CCC[C@H]2O)cc(C(=O)OC)c1
342079276	ZINC000625300833	ref	4.18	-12.16	0	297.367	1.766	1	3	9	CCO[C@H](CS(=O)(=O)NCC[C@H]1CC1(F)F)C1CC1
214185990	ZINC000293594047	ref	2.94	-10.48	0	369.443	0.906	2	7	3	COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)n1
214185993	ZINC000293593257	ref	-1.44	-22.74	0	357.794	0.58	4	5	6	CNC(=O)NCCC(=O)NC[C@@H](O)c1cc(Cl)c2c(c1)OCCO2
214185997	ZINC000293592332	ref	2.88	-14.82	0	351.428	0.759	1	4	3	Cc1cccc(C)c1CS(=O)(=O)N1CC[C@@]2(C1)NC(=O)N(C)C2=O
214186002	ZINC000293597642	ref	1.89	-14.05	0	350.318	0.688	1	4	2	CS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)C1
349534899	ZINC000093279737	ref	3.42	-11.72	0	281.356	0.537	1	5	5	COC(=O)C(C)(C)[C@H]1CCCN(CC(=O)NCC#N)C1
398249468	ZINC000650871949	ref	1.55	-8.72	0	254.33	1.032	2	3	3	C[C@@]1(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)CCOC1
365636116	ZINC000274364234	mid	3.94	-11.91	0	280.372	1.676	2	3	5	Cc1[nH]ncc1CNC(=O)N(C)CCC1CCOCC1
365636125	ZINC000274362087	ref	5.23	-9.75	0	293.411	1.964	2	3	2	Cn1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@H](O)C2)c1
214185952	ZINC000337625571	ref	5.0	-10.29	0	266.366	2.384	1	3	2	O=C(N[C@H]1CCOC1)N1CCC[C@@H]1c1ccsc1
178302456	ZINC000045206644	high	6.25	-7.97	0	229.327	2.442	1	3	3	Cc1cc2nc(CNC3CC3)n(C)c2cc1C
365636138	ZINC000274363460	ref	4.24	-16.19	0	280.328	1.577	2	5	6	CCC(CC)(CNC(=O)Nc1cncnc1)C(=O)OC
365636146	ZINC000274362176	ref	5.46	-27.11	0	283.393	1.599	0	3	6	CO[C@H](C(=O)N(C)[C@H](C)C[S@@](C)=O)c1ccccc1
214185955	ZINC000337626699	ref	4.91	-10.25	0	265.263	2.155	2	2	4	N#Cc1cccc(CNC(=O)NC2(C(F)F)CC2)c1
365636156	ZINC000274361502	ref	2.83	-6.53	0	294.37	1.973	1	4	4	CCO[C@@H]1C[C@H](O)C12CCN(Cc1cncc(F)c1)CC2
365636162	ZINC000274361502	mid	5.17	-42.07	1	294.37	1.973	2	3	4	CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1cncc(F)c1)CC2
398249262	ZINC000651462454	ref	3.47	-7.97	0	259.353	3.1	1	4	5	CCc1ncc(CN[C@H](C)c2ccc(C)nc2C)o1
214185958	ZINC000337626350	ref	7.38	-9.62	0	270.361	3.131	1	5	5	c1ccc(CCCNc2ncnc3sccc23)nc1
365636169	ZINC000274361775	ref	2.63	-9.67	0	293.342	1.622	3	2	4	CC(C)[C@@H](NC(=O)N[C@@H]1CCc2c(F)cccc21)C(N)=O
365636176	ZINC000274362505	ref	1.53	-12.03	0	291.298	1.422	1	5	7	CO[C@H](CNC(=O)c1cc(OC(F)F)n(C)n1)C(C)C
365636183	ZINC000274361657	ref	2.58	-14.64	0	287.319	1.15	2	3	2	C[C@H](NC(N)=O)C(=O)N1C[C@@H]2CCC(=O)c3cccc1c32
365636193	ZINC000274363792	ref	4.24	-15.66	0	266.301	1.282	1	5	3	CN(CC(=O)Nc1cncnc1)C(=O)OC(C)(C)C
365636204	ZINC000274362408	ref	3.45	-34.64	1	255.325	1.507	0	4	2	Cc1cc(N2CCN(c3cnccn3)CC2)cc[nH+]1
365636223	ZINC000274362360	ref	3.94	-14.26	0	299.348	1.121	1	5	7	CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)CC)cc1
365636235	ZINC000274362228	ref	2.57	-44.3	1	261.369	1.572	3	2	8	CCN(CCO)CC[NH2+]Cc1cccc2cc[nH]c12
365636238	ZINC000274362228	low	4.66	-117.78	2	261.369	1.572	4	1	8	CC[N@H+](CCO)CC[NH2+]Cc1cccc2cc[nH]c12
365636245	ZINC000274362228	low	4.68	-120.45	2	261.369	1.572	4	1	8	CC[N@@H+](CCO)CC[NH2+]Cc1cccc2cc[nH]c12
398249265	ZINC000651462454	mid	4.58	-48.49	1	259.353	3.1	1	3	5	CCc1ncc(C[NH2+][C@H](C)c2ccc(C)nc2C)o1
214185961	ZINC000337624670	ref	8.4	-13.74	0	281.4	3.135	1	4	9	CCCCCn1nc(C)cc1NC(=O)CO[C@H](C)CC
197593422	ZINC000162822008	ref	8.23	-12.18	0	321.442	2.415	0	4	3	Cc1ccc(OCC(=O)N2CCS[C@H]3COCC[C@@H]32)cc1C
214185963	ZINC000337627999	ref	2.83	-44.18	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1
178302457	ZINC000082802930	ref	6.96	-53.75	1	284.363	1.276	2	3	5	O=C(NCCCn1ccnc1)[C@@H]1C[NH2+]Cc2ccccc21
214185966	ZINC000337627999	mid	3.68	-44.5	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1
214185967	ZINC000337624721	ref	0.02	-38.6	1	273.377	-0.241	5	3	7	CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC(CO)CO
178302460	ZINC000082802930	low	7.47	-91.26	2	284.363	1.276	2	2	5	O=C(NCCCn1cc[nH+]c1)[C@@H]1C[NH2+]Cc2ccccc21
214185969	ZINC000337624721	mid	0.8	-37.7	1	273.377	-0.241	5	3	7	CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC(CO)CO
282122706	ZINC000302007585	ref	2.91	-21.08	0	282.369	1.364	1	6	6	CCC(CC)(CNc1ccc(C#N)nn1)S(C)(=O)=O
282122725	ZINC000375719853	ref	7.56	-43.23	1	283.412	2.369	1	3	6	CCC(CC)(C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)C(=O)OC
342596021	ZINC000616974969	ref	2.45	-12.57	0	278.274	1.504	2	2	2	O=C1NCC[C@H]1NC(=O)C1(C(F)(F)F)CCCCC1
214185975	ZINC000337626719	ref	4.26	-7.5	0	284.306	2.43	2	2	6	COCc1ccc(CNC(=O)NC2(C(F)F)CC2)cc1
214185977	ZINC000337626516	ref	3.97	-22.14	0	292.343	0.251	3	5	3	Cc1cc(N(C)C)nc(NC(=O)N[C@@H]2CCCNC2=O)n1
214185979	ZINC000337625099	ref	7.25	-18.11	0	288.391	2.263	2	2	6	CCNC(=O)CC(=O)N[C@@]1(c2cccc(C)c2)C[C@@H]1CC
178302463	ZINC000082802930	high	5.48	-13.73	0	284.363	1.276	2	4	5	O=C(NCCCn1ccnc1)[C@@H]1CNCc2ccccc21
214185981	ZINC000337626581	ref	0.39	-16.46	0	291.373	-0.548	1	4	3	CCS(=O)(=O)N1CCN(C(=O)N[C@@H]2CCOC2)CC1
214185984	ZINC000337627568	ref	2.32	-25.75	0	273.358	0.072	1	5	7	C[C@@H](CC[S@@](C)=O)NC(=O)COc1cnn(C)c1
282122732	ZINC000424471066	ref	7.26	-54.78	-1	335.36	2.782	2	6	7	CCC(CC)(CNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2)C(=O)[O-]
282122743	ZINC000424474977	ref	6.07	-47.09	-1	308.382	1.616	1	7	7	CCC(CC)(CNc1cc(N2CCOCC2)ncn1)C(=O)[O-]
214185992	ZINC000337626057	ref	5.09	-12.94	0	287.31	2.319	2	3	5	Cc1noc(C)c1C[C@@H](C)NC(=O)NC1(C(F)F)CC1
214185994	ZINC000337626121	ref	-2.4	-10.58	0	290.36	-0.12	3	5	9	COCCCNC(=O)NCC1(OCCO)CCOCC1
214185996	ZINC000337626019	ref	-0.07	-8.28	0	264.391	0.826	3	4	10	CCSCCCNC(=O)N[C@@H](CCO)COC
178305907	ZINC000223768983	ref	6.43	-8.55	0	203.289	2.583	1	3	2	Cc1cc2ncn(CC(C)C)c2cc1N
349534900	ZINC000618813445	ref	3.42	-22.29	0	289.339	1.269	0	6	5	CC(C)Oc1ccc(C(=O)N(C)Cc2cn(C)nn2)cn1
342596022	ZINC000616974991	ref	4.27	-16.0	0	264.369	1.598	2	2	3	O=C(N[C@H]1CCNC1=O)[C@@H]1CC[C@@H](C2CCC2)CC1
365636121	ZINC000354709412	ref	6.46	-44.9	1	288.395	1.456	1	3	2	C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccnc1N(C)C
365636127	ZINC000354709412	mid	5.04	-10.11	0	288.395	1.456	1	3	2	C[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)c1cccnc1N(C)C
365636134	ZINC000354709412	high	5.04	-10.11	0	288.395	1.456	0	4	2	C[C@H]1CN2CCC[C@H]2CN1C(=O)c1cccnc1N(C)C
365636143	ZINC000354709354	ref	3.21	-12.78	0	288.351	1.816	1	5	6	CCOC[C@H](NC(=O)c1cnc2nccnc2c1)C(C)C
365636152	ZINC000354708971	ref	4.21	-9.48	0	265.3	1.935	1	3	6	CC(C)C[C@@H]1C[C@H](NC(=O)COC(F)F)CCO1
365636163	ZINC000354709030	ref	6.45	-6.94	0	288.395	1.686	0	5	4	CN(C)c1nccc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)n1
365636171	ZINC000354709030	low	9.07	-35.32	1	288.395	1.686	1	4	4	CN(C)c1nccc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n1
365636178	ZINC000354709030	low	9.43	-35.13	1	288.395	1.686	1	4	4	CN(C)c1nccc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)n1
342596023	ZINC000616975113	ref	6.41	-9.73	0	290.371	1.57	0	6	5	CC[C@H](C)N(CC)C(=O)c1nnn(-c2cnn(C)c2)c1C
365636188	ZINC000354708369	ref	3.73	-6.5	0	291.395	1.881	0	5	4	COc1c(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)c(C)nn1C
365636199	ZINC000354708369	low	6.32	-31.96	1	291.395	1.881	1	4	4	COc1c(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c(C)nn1C
197593432	ZINC000162815140	ref	2.19	-10.95	0	302.827	2.335	2	2	4	NS(=O)(=O)NCC1(c2ccccc2Cl)CCCCC1
365636206	ZINC000354708369	low	5.58	-32.89	1	291.395	1.881	1	4	4	COc1c(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)c(C)nn1C
295666334	ZINC000412985356	ref	6.65	-10.69	0	304.321	2.963	0	5	2	CC1(C)CCC[C@@H](n2nc(-c3ccc(F)cc3)oc2=O)C1=O
365636215	ZINC000354709554	ref	4.16	-15.06	0	296.334	1.696	2	5	4	C[C@H](NC(=O)c1c[nH]nc1-c1ccccn1)c1cnn(C)c1
365636219	ZINC000354709554	mid	4.01	-48.35	-1	296.334	1.696	2	5	4	C[C@H](NC(=O)c1cn[nH]c1-c1ccccn1)c1cnn(C)c1
342596024	ZINC000616974774	ref	6.11	-18.91	0	265.361	1.273	0	5	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2nnnn2CC1
342596025	ZINC000616975387	ref	5.11	-10.07	0	251.33	1.674	0	4	4	CC[C@@H](C)N(CC)C(=O)c1cnc2n1CCOC2
342596026	ZINC000616975620	ref	5.29	-10.81	0	261.325	1.837	1	3	4	CC[C@@H](C)N(CC)C(=O)c1ccnc2c1CC(=O)N2
214185978	ZINC000053503604	ref	7.64	-16.13	0	344.374	2.644	2	4	4	O=C(NCc1ccc(-n2cccn2)cc1)c1cc(=O)c2ccccc2[nH]1
214185980	ZINC000053503604	high	7.27	-45.35	-1	344.374	2.644	1	4	4	O=C(NCc1ccc(-n2cccn2)cc1)c1cc(=O)c2ccccc2[n-]1
214185983	ZINC000053518075	ref	5.39	-14.99	0	344.459	1.225	2	3	7	O=C(CN1CCN(C(=O)NCCCc2ccccc2)CC1)NC1CC1
214185985	ZINC000053495613	ref	6.08	-11.04	0	348.834	2.664	1	4	4	Cc1cc(CN2CCN(C(=O)NCc3ccc(Cl)cc3)CC2)no1
214185988	ZINC000053496989	ref	8.43	-32.18	1	325.294	3.802	1	1	6	C[C@@H](C[NH2+]C1CCCC1)N(C)Cc1ccccc1Br
214185991	ZINC000053512662	ref	7.97	-12.19	0	328.412	3.088	1	3	7	COc1ccc(CCNC(=O)N(C)Cc2ccccc2OC)cc1
214185995	ZINC000053503755	ref	3.58	-20.99	0	326.381	1.963	2	5	5	NC(=O)c1csc(C(=O)NCc2ccc(-n3cccn3)cc2)c1
214185998	ZINC000053503152	ref	1.17	-21.35	0	337.405	0.409	2	5	5	CN(Cc1cnn(C)c1)C(=O)NCc1ccc(S(N)(=O)=O)cc1
214186000	ZINC000053495263	ref	2.23	-14.14	0	328.294	1.426	4	2	5	NC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F
214186005	ZINC000053503958	ref	4.21	-19.06	0	345.852	1.169	1	3	4	CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1
214186011	ZINC000053505321	ref	6.02	-13.11	0	326.344	1.484	1	5	7	CCCCn1c(SCC(=O)N(C)CC(F)(F)F)n[nH]c1=O
214186016	ZINC000053493980	ref	2.85	-14.86	0	335.788	1.125	1	3	2	CNC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1
178302462	ZINC000237202450	high	2.42	-10.83	0	374.529	1.25	2	5	9	CN1CCN(CCCNC(=O)CNC[C@@H]2CCCO2)[C@@H](c2ccccc2)C1
342596027	ZINC000590782028	ref	5.49	-10.33	0	286.335	1.507	2	4	5	Cc1nc(NC(=O)C(=O)NCCCC2CC2)ccc1C#N
398249264	ZINC000650874528	ref	5.63	-17.93	0	291.326	1.709	1	2	2	Cc1cc(C(=O)N2CC[C@H](F)C2)ccc1N1CCNC1=O
214186025	ZINC000053494615	ref	11.15	-58.23	1	340.471	3.108	2	2	3	N#Cc1ccc(C[N@H+]2CCCN(C(=O)NC3CCCCC3)CC2)cc1
178302464	ZINC000237212280	ref	4.75	-48.57	1	361.486	1.714	2	3	8	COCCCNC(=O)C1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1
214186029	ZINC000053494615	mid	11.19	-57.23	1	340.471	3.108	2	2	3	N#Cc1ccc(C[N@@H+]2CCCN(C(=O)NC3CCCCC3)CC2)cc1
214186030	ZINC000053494615	mid	9.04	-13.67	0	340.471	3.108	1	3	3	N#Cc1ccc(CN2CCCN(C(=O)NC3CCCCC3)CC2)cc1
398249266	ZINC000649443163	ref	5.94	-44.7	1	247.338	2.226	1	2	6	COCCOCc1cccc(C2=CC[NH2+]CC2)c1
398249269	ZINC000649443104	ref	5.82	-46.81	1	230.311	1.765	1	1	2	CN(C)C(=O)c1cccc(C2=CC[NH2+]CC2)c1
365636185	ZINC000123236566	ref	6.79	-35.22	1	283.755	2.431	2	3	3	COC(=O)[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1
365636196	ZINC000123236566	mid	6.42	-29.92	1	283.755	2.431	2	3	3	COC(=O)[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Cl)C1
342079277	ZINC000625302472	ref	7.14	-14.63	0	266.345	1.134	0	5	5	CCC[C@@H](OCC)C(=O)N1CCn2c(C)nnc2C1
365636202	ZINC000123236566	mid	7.36	-24.64	0	283.755	2.431	1	3	3	COC(=O)[C@@H]1CCC[N@H+](Cc2c([O-])cccc2Cl)C1
343993981	ZINC000079914581	high	5.21	-11.63	0	264.329	2.134	1	5	5	C[C@@H]1CCCN(CCNc2ccc([N+](=O)[O-])nc2)C1
365636207	ZINC000123236566	mid	7.17	-33.67	0	283.755	2.431	1	3	3	COC(=O)[C@@H]1CCC[N@@H+](Cc2c([O-])cccc2Cl)C1
343993983	ZINC000079913952	ref	3.77	-8.01	0	297.712	2.008	2	5	6	CN(CCCNc1cc(Cl)nc(N)n1)CC(F)(F)F
343993985	ZINC000079914363	ref	6.79	-10.41	0	296.334	2.068	1	7	6	CCOc1cc(CNc2nnnn2-c2ccccc2)ccn1
365636210	ZINC000123236566	high	4.55	-47.45	-1	283.755	2.431	0	4	3	COC(=O)[C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1
365636229	ZINC000123192770	ref	3.65	-7.75	0	287.367	2.371	1	5	4	CC(C)Oc1cncc(N2CCC(c3cc[nH]n3)CC2)n1
365636237	ZINC000123192770	mid	3.74	-7.29	0	287.367	2.371	1	5	4	CC(C)Oc1cncc(N2CCC(c3ccn[nH]3)CC2)n1
365636249	ZINC000123135490	ref	7.8	-43.21	1	260.381	2.174	1	1	5	C[NH2+]CCCN(C)C(=O)[C@@H]1CCCc2ccccc21
282122707	ZINC000533470076	high	2.65	-7.3	0	283.416	1.271	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1
282122711	ZINC000533471317	ref	1.82	-17.73	0	299.415	1.094	3	3	4	C[C@H](O)[C@H]1CCCN(C(=O)NCCC(=O)NC(C)(C)C)C1
282122715	ZINC000533471154	ref	5.59	-39.42	1	297.443	1.521	3	2	5	C[C@H](O)[C@@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1
342079278	ZINC000077846178	ref	2.85	-6.36	0	292.379	1.711	3	3	5	CCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)C(C)C
342079279	ZINC000608858256	ref	1.3	-21.1	0	292.32	1.208	0	6	4	Cc1noc2ncc(S(=O)(=O)N(CC#N)C3CC3)cc12
342079280	ZINC000625301455	ref	2.57	-12.3	0	283.34	1.519	1	3	5	CC1(C)C[C@@H](S(=O)(=O)NCC[C@H]2CC2(F)F)CO1
342079281	ZINC000625303164	ref	4.48	-38.89	1	279.38	1.976	3	3	9	C=CC[N@@H+](CCc1ccco1)C[C@@H](O)CC1(O)CCC1
342079282	ZINC000625303164	mid	4.52	-38.24	1	279.38	1.976	3	3	9	C=CC[N@H+](CCc1ccco1)C[C@@H](O)CC1(O)CCC1
365636186	ZINC000336552456	ref	4.49	-30.84	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)sc1C
365636195	ZINC000336552456	mid	4.26	-27.91	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)sc1C
365636198	ZINC000336552456	mid	2.26	-6.82	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@@H](C)[C@@H]2CO)sc1C
342079283	ZINC000625303164	high	2.6	-5.52	0	279.38	1.976	2	4	9	C=CCN(CCc1ccco1)C[C@@H](O)CC1(O)CCC1
365636209	ZINC000336553272	ref	7.04	-36.93	1	278.318	2.27	1	1	2	C[C@@H]1C[N@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636211	ZINC000336553272	mid	6.79	-36.19	1	278.318	2.27	1	1	2	C[C@@H]1C[N@@H+]([C@@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636216	ZINC000336553272	mid	5.06	-8.1	0	278.318	2.27	0	2	2	C[C@@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636220	ZINC000336552496	ref	6.56	-7.6	0	277.318	2.299	0	3	3	Cn1cc(CCN2CCc3c(F)cc(F)cc3C2)cn1
365636228	ZINC000336552496	mid	9.14	-50.57	1	277.318	2.299	1	2	3	Cn1cc(CC[N@@H+]2CCc3c(F)cc(F)cc3C2)cn1
365636232	ZINC000336552496	mid	9.14	-50.2	1	277.318	2.299	1	2	3	Cn1cc(CC[N@H+]2CCc3c(F)cc(F)cc3C2)cn1
365636239	ZINC000336553971	ref	3.6	-6.19	0	260.362	2.484	0	4	2	c1ccc2sc(C3CN([C@H]4CCOC4)C3)nc2c1
365636246	ZINC000336553971	mid	6.58	-40.42	1	260.362	2.484	1	3	2	c1ccc2sc(C3C[NH+]([C@H]4CCOC4)C3)nc2c1
365636257	ZINC000336552260	ref	8.74	-43.06	1	275.396	2.013	2	1	3	Cc1ccc2c(c1)CCN(C(=O)N[C@@H](C)C[NH+](C)C)C2
365636265	ZINC000336552260	high	6.25	-8.75	0	275.396	2.013	1	2	3	Cc1ccc2c(c1)CCN(C(=O)N[C@@H](C)CN(C)C)C2
365636286	ZINC000336552455	ref	4.0	-28.4	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@H](C)[C@H]2CO)sc1C
365636291	ZINC000336552455	mid	4.74	-29.26	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)sc1C
342079284	ZINC000625301453	ref	2.38	-12.91	0	283.34	1.519	1	3	5	CC1(C)C[C@H](S(=O)(=O)NCC[C@@H]2CC2(F)F)CO1
342079285	ZINC000625302305	ref	1.06	-45.77	1	279.384	1.906	2	4	7	COc1cncc(C[NH2+][C@H](CCO)C2CCCCC2)n1
342079286	ZINC000625302305	high	-0.06	-5.84	0	279.384	1.906	2	5	7	COc1cncc(CN[C@H](CCO)C2CCCCC2)n1
365636300	ZINC000336552455	mid	2.66	-6.11	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@H](C)[C@H]2CO)sc1C
365636317	ZINC000336553932	ref	4.69	-33.33	1	250.342	2.292	1	3	2	Cc1nc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)oc1C
342079287	ZINC000625301838	ref	4.48	-45.96	1	299.783	1.725	2	3	6	O=S(=O)(CCc1ccccc1Cl)NCc1c[nH]cn1
365636321	ZINC000336553932	mid	4.0	-34.88	1	250.342	2.292	1	3	2	Cc1nc(C[N@H+]2CCC[C@H]3COCC[C@H]32)oc1C
214185999	ZINC000337628148	ref	9.07	-9.8	0	297.28	3.172	2	2	4	CCc1ccc(CC(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1
214186001	ZINC000337628148	mid	8.99	-8.97	0	297.28	3.172	2	2	4	CCc1ccc(CC(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1
214186003	ZINC000337625307	ref	9.41	-13.58	0	299.378	3.112	2	4	3	Cc1cc(C)cc(NC(=O)Nc2nc(C)cc(N(C)C)n2)c1
342596028	ZINC000616974973	ref	7.39	-11.32	0	290.371	1.617	1	6	5	CC[C@H](C)N(CC)C(=O)[C@@H](C)n1cnc2c(N)ncnc21
214186006	ZINC000337624555	ref	5.03	-7.8	0	285.428	2.306	1	3	9	CC(C)[C@@H](CC1CCCC1)C(=O)N(C)CCOCCO
214186009	ZINC000337625950	ref	9.37	-43.08	1	290.436	3.007	2	4	4	CCc1cc2c(NCC3CC[NH+](C)CC3)ncnc2s1
214186013	ZINC000337625529	ref	7.88	-50.61	1	277.324	2.265	2	3	5	C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1
214186015	ZINC000337625529	mid	7.91	-50.19	1	277.324	2.265	2	3	5	C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1
214186020	ZINC000337624409	ref	3.54	-13.46	0	288.351	2.139	2	3	5	CCCCc1cc(=NC(=O)c2cc(C)nc(OC)c2)[nH][nH]1
214186024	ZINC000337626011	ref	-0.84	-21.52	0	296.389	-0.54	2	5	9	CCS(=O)(=O)C[C@H](C)NC(=O)N(C)CCOCCO
214186026	ZINC000337626860	ref	7.19	-12.6	0	290.363	3.092	2	3	3	COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@@H]2C)ccc1C
282122708	ZINC000151679724	ref	7.78	-14.38	0	324.446	2.438	1	4	5	CCc1oc(C(=O)N2CSC[C@@H]2C(=O)NCC(C)C)cc1C
342596029	ZINC000616974787	ref	2.36	-22.43	0	272.226	1.382	2	2	3	O=C(N[C@@H]1CCNC1=O)c1ccc(C(F)F)cc1F
214186031	ZINC000337624292	ref	3.78	-18.68	0	296.327	0.164	2	5	4	COCC(=O)N1CCC(NC(=O)Nc2cc(C)on2)CC1
214186035	ZINC000337627873	ref	6.58	-39.9	1	265.361	0.743	2	4	6	CC[NH+](CC)CC(=O)N[C@@H](C)c1nnc2n1CCC2
214186039	ZINC000337627873	high	4.57	-12.68	0	265.361	0.743	1	5	6	CCN(CC)CC(=O)N[C@@H](C)c1nnc2n1CCC2
214186041	ZINC000337627309	ref	5.64	-8.53	0	294.301	3.338	2	2	4	Cc1c(CNC(=O)NC2(C(F)F)CC2)oc2ccccc12
342596030	ZINC000616975819	ref	7.88	-12.44	0	292.379	1.585	0	3	5	CC[C@H](C)N(CC)C(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O
214186044	ZINC000337627466	ref	2.24	-10.29	0	263.322	2.416	1	5	3	COc1cc(C(=O)Nc2cc(C)ns2)cc(C)n1
214186048	ZINC000337625138	ref	4.44	-6.46	0	286.422	2.254	2	4	6	CCSCCCNC(=O)C(=O)Nc1cscc1C
214186052	ZINC000337625299	ref	4.07	-7.32	0	259.415	2.043	2	3	6	CSCC(C)(C)C(=O)N[C@H]1CCC[C@H]1CCO
178305912	ZINC000223768983	mid	6.9	-30.19	1	203.289	2.583	1	2	2	Cc1cc2[nH+]cn(CC(C)C)c2cc1N
178302468	ZINC000237212280	high	4.38	-13.46	0	361.486	1.714	2	4	8	COCCCNC(=O)C1CCN(C(=O)[C@H](C)[C@H](N)c2ccccc2)CC1
365636200	ZINC000641603344	ref	5.37	-13.29	0	267.373	1.439	1	2	2	CC(=O)N1CC[C@@H](CNC(=O)N2CCCC[C@@H]2C)C1
365636218	ZINC000641603347	ref	5.37	-13.19	0	267.373	1.439	1	2	2	CC(=O)N1CC[C@@H](CNC(=O)N2CCCC[C@H]2C)C1
365636224	ZINC000641603454	ref	2.23	-8.35	0	257.355	1.168	1	3	3	O=S(=O)(N[C@@]12CCC[C@@H]1C2)[C@@H]1C[C@@H]2CC[C@H]1O2
282122712	ZINC000248971650	low	5.63	-40.76	1	318.417	1.491	2	3	4	Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1CCO[C@@]2(CCOC2)C1
214186004	ZINC000278487438	ref	4.35	-47.21	1	312.41	2.862	2	4	9	COCC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccco1
365636230	ZINC000641603540	ref	3.07	-44.36	1	261.316	1.639	3	1	5	CC(C)(NC(=O)NCCC1=CC[NH2+]CC1)C(F)F
365636241	ZINC000641603494	ref	1.91	-9.92	0	279.402	1.147	1	4	9	COC[C@H](CCNS(=O)(=O)CC1(C)CCC1)OC
365636248	ZINC000641603327	ref	5.84	-11.17	0	295.408	1.756	0	5	3	CC[C@H]1CN(c2cc(C3CC3)ncn2)C[C@H](C)S1(=O)=O
365636258	ZINC000641602978	ref	1.43	-11.22	0	289.397	1.041	1	4	6	COC1CC(CCNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1
365636268	ZINC000641603243	ref	2.25	-12.32	0	260.318	1.503	1	4	1	O=C(c1cnc2ccsc2c1)N1C[C@@H]2C[C@]2(O)C1
365636277	ZINC000641603863	ref	2.87	-10.82	0	287.315	1.064	1	4	2	COc1ccc2c(c1)C=C(C(=O)N1C[C@@H]3C[C@]3(O)C1)CO2
178302473	ZINC000237210828	ref	6.47	-89.15	2	360.502	1.783	3	3	6	C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1
178302477	ZINC000237210828	mid	4.11	-51.26	1	360.502	1.783	2	4	6	CN1CCN(CCOc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1
365636282	ZINC000641603587	ref	2.08	-10.36	0	291.413	1.147	1	4	7	CO[C@H](CNS(=O)(=O)CC1(C)CCC1)[C@H]1CCOC1
365636290	ZINC000641603556	ref	2.36	-43.82	1	267.373	1.164	3	2	5	CC[C@@]1(NC(=O)NCCC2=CC[NH2+]CC2)CCOC1
299072223	ZINC000354601801	ref	6.16	-23.02	0	327.396	0.163	4	6	3	Cn1cc(C[N@@H+]2CCCN(c3nc4[nH][nH]cc-4c(=N)n3)CC2)cn1
178302479	ZINC000237210828	mid	6.41	-91.18	2	360.502	1.783	3	3	6	CN1CC[NH+](CCOc2ccc(NC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1
365636301	ZINC000641603346	ref	5.37	-13.35	0	267.373	1.439	1	2	2	CC(=O)N1CC[C@H](CNC(=O)N2CCCC[C@@H]2C)C1
212167154	ZINC000335489643	ref	6.69	-9.09	0	279.424	3.134	1	2	3	CC1=C(C)C[C@H](C(=O)N2CCC[C@@H](CCO)CC2)CC1
212167157	ZINC000335489945	ref	2.41	-12.16	0	290.363	0.683	3	3	2	O=C(NC1Cc2ccccc2C1)N1CCC[C@@](O)(CO)C1
295666335	ZINC000412985398	ref	6.65	-12.54	0	309.441	2.786	0	7	4	Cn1c(SCCc2cncs2)nc2ccsc2c1=O
342596031	ZINC000616975640	ref	7.39	-14.73	0	251.33	1.28	0	4	6	CC[C@@H](C)N(CC)C(=O)CCn1cnccc1=O
365636203	ZINC000617433740	ref	5.79	-19.43	0	250.302	0.825	1	5	4	CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@H](C)n2ncnc21
365636212	ZINC000617432053	ref	4.66	-21.21	0	260.301	0.858	1	6	3	C[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)n1cccn1
365636226	ZINC000617431605	ref	5.17	-24.88	0	274.328	0.914	1	6	3	Cc1cc(C)n(CC(=O)N[C@H]2C[C@@H](C)n3ncnc32)n1
365636236	ZINC000617432346	ref	3.82	-21.81	0	260.301	0.999	2	5	3	CCc1n[nH]cc1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
342596032	ZINC000616974773	ref	6.09	-18.66	0	265.361	1.273	0	5	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2nnnn2CC1
342596033	ZINC000616975871	ref	6.68	-15.95	0	253.346	1.584	0	4	7	CC[C@@H](C)N(CC)C(=O)COCc1ccnn1C
342596034	ZINC000616974992	ref	4.27	-16.37	0	264.369	1.598	2	2	3	O=C(N[C@@H]1CCNC1=O)[C@@H]1CC[C@@H](C2CCC2)CC1
255763866	ZINC000122869034	ref	6.03	-16.94	0	328.39	2.105	1	5	5	Cc1cc([N+](=O)[O-])c(S(=O)(=O)NCC(=O)C(C)(C)C)cc1C
365636247	ZINC000617432415	ref	4.1	-15.61	0	258.285	0.812	1	6	2	Cc1nccc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)n1
255763869	ZINC000122869034	high	5.79	-55.41	-1	328.39	2.105	0	5	5	Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]CC(=O)C(C)(C)C)cc1C
282122713	ZINC000449154230	mid	5.51	-33.48	1	295.402	2.2	2	3	6	COC1CC[NH+](C(C)(C)CNCc2ccncc2F)CC1
282122717	ZINC000449154230	high	3.77	-4.91	0	295.402	2.2	1	4	6	COC1CCN(C(C)(C)CNCc2ccncc2F)CC1
282122720	ZINC000449153504	ref	7.43	-50.22	1	250.386	2.308	1	1	3	CC(C)N1C[C@H]([NH2+][C@H]2CCCC23CCC3)CC1=O
342596035	ZINC000616974956	ref	8.02	-16.44	0	264.373	1.882	0	4	6	CC[C@@H](C)N(CC)C(=O)Cc1nc(C2CC2)nn1C
365636256	ZINC000617433743	ref	5.77	-18.87	0	250.302	0.825	1	5	4	CCO[C@@H]1C[C@@H]1C(=O)N[C@H]1C[C@@H](C)n2ncnc21
282122723	ZINC000449154434	ref	4.36	-34.38	1	269.41	2.206	2	3	7	COc1cc(C)ccc1C[NH2+][C@H](C)[C@H](CO)SC
365636264	ZINC000617432348	ref	3.81	-20.98	0	260.301	0.999	2	5	3	CCc1n[nH]cc1C(=O)N[C@H]1C[C@@H](C)n2ncnc21
342596036	ZINC000616975834	ref	3.76	-10.58	0	262.313	1.924	2	3	4	CC[C@H](C)N(CC)C(=O)c1cnc2[nH]c(=O)[nH]c2c1
342596037	ZINC000616976596	ref	4.9	-16.15	0	275.414	1.848	0	3	5	CC[C@@H](C)N(CC)C(=O)C[C@H]1CCCS(=O)(=O)C1
342596038	ZINC000616975875	ref	5.08	-43.49	-1	262.313	1.283	0	4	4	CC[C@@H](C)N(CC)C(=O)c1c[n-]n2c(=O)ccnc12
365636270	ZINC000617433792	ref	4.77	-19.64	0	250.302	0.969	1	5	3	C[C@@H]1C[C@@H](NC(=O)C[C@@H]2CCCO2)c2ncnn21
214186008	ZINC000278487438	high	3.33	-8.4	0	312.41	2.862	2	5	9	COCC[C@H](NCCCNC(=O)OC(C)(C)C)c1ccco1
185088955	ZINC000096077984	ref	6.99	-43.31	1	288.395	1.809	2	2	3	Cc1cc(C(=O)N2CCC3(CC2)CC[N@@H+]3CC2CC2)[nH]n1
214186012	ZINC000278487240	ref	0.59	-8.94	0	318.446	1.909	1	6	5	C[C@H](O)c1ncc(CN2CCN(Cc3ccncc3)CC2)s1
214186017	ZINC000278487240	low	2.9	-43.13	1	318.446	1.909	2	5	5	C[C@H](O)c1ncc(CN2CC[NH+](Cc3ccncc3)CC2)s1
365636217	ZINC000625077423	ref	5.77	-9.85	0	323.458	2.496	1	3	6	CC1(C)C[C@@H](S(=O)(=O)NCC2(Cc3ccccc3)CC2)CO1
185088957	ZINC000096077984	mid	7.0	-43.55	1	288.395	1.809	2	2	3	Cc1cc(C(=O)N2CCC3(CC2)CC[N@H+]3CC2CC2)[nH]n1
365636227	ZINC000625075823	ref	7.74	-18.33	0	318.417	2.026	1	3	6	Cc1ccc(CO[C@H](C)C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)cc1
178302469	ZINC000019733984	ref	5.56	-47.62	1	231.343	2.851	2	1	5	Cc1cc2nc(CCCCC[NH3+])[nH]c2cc1C
214186019	ZINC000278487240	low	3.12	-43.38	1	318.446	1.909	2	5	5	C[C@H](O)c1ncc(C[NH+]2CCN(Cc3ccncc3)CC2)s1
214186022	ZINC000278487711	ref	6.72	-7.53	0	320.194	1.961	0	5	2	Brc1cccnc1N1CCN(c2cnccn2)CC1
214186027	ZINC000278487858	ref	5.1	-11.53	0	308.382	1.35	1	5	5	COCCN(C)C(=O)C(=O)Nc1cnn(C2CCCC2)c1C
214186033	ZINC000278486852	ref	4.7	-11.09	0	312.373	1.672	2	4	5	CCn1cc(NC(=O)Cc2ccc3c(c2)CCC3)c(C(N)=O)n1
185088959	ZINC000096077984	mid	7.24	-40.72	1	288.395	1.809	2	2	3	Cc1cc(C(=O)N2CCC3(CC2)CC[N@@H+]3CC2CC2)n[nH]1
178302472	ZINC000019733984	mid	6.0	-84.56	2	231.343	2.851	2	0	5	Cc1cc2[nH]c(CCCCC[NH3+])[nH+]c2cc1C
178302476	ZINC000040162965	ref	8.11	-49.67	-1	246.31	2.977	1	3	5	Cc1cc2nc(CCCCC(=O)[O-])[nH]c2cc1C
214186037	ZINC000278488660	ref	2.29	-14.83	0	319.308	2.077	1	5	4	CCN(C[C@@H](O)C(F)(F)F)C(=O)c1nc2cccnc2s1
282122714	ZINC000246412212	ref	5.53	-46.3	1	303.41	0.938	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H]3CCCC[C@H]3[NH2+]1)CC2
342079288	ZINC000625301838	mid	4.46	-46.03	1	299.783	1.725	2	3	6	O=S(=O)(CCc1ccccc1Cl)NCc1cnc[nH]1
342079289	ZINC000625301838	low	4.48	-45.96	1	299.783	1.725	2	2	6	O=S(=O)(CCc1ccccc1Cl)NCc1c[nH+]c[nH]1
178302481	ZINC000040162965	mid	8.55	-53.25	0	246.31	2.977	1	2	5	Cc1cc2[nH]c(CCCCC(=O)[O-])[nH+]c2cc1C
214186047	ZINC000278488175	ref	1.59	-8.78	0	322.361	1.183	2	5	4	COc1cc(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2C)cc(OC)c1
178302475	ZINC000082800548	ref	1.29	-54.0	1	289.177	1.06	2	3	5	C[NH2+][C@@](C)(C[C@@H](C)n1cc(Br)cn1)C(N)=O
365636222	ZINC000354709554	high	4.01	-48.35	-1	296.334	1.696	1	5	4	C[C@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cnn(C)c1
365636233	ZINC000354708328	ref	3.32	-22.04	0	297.424	1.451	1	4	3	CCc1c(C(=O)N[C@H]2CC[S@](=O)C2)cnn1C(C)(C)C
342079290	ZINC000625301838	low	4.46	-46.03	1	299.783	1.725	2	2	6	O=S(=O)(CCc1ccccc1Cl)NCc1c[nH]c[nH+]1
342079291	ZINC000625301604	ref	2.54	-9.14	0	261.387	1.519	1	3	4	CC1CC(CNS(=O)(=O)[C@@H]2COC(C)(C)C2)C1
365636243	ZINC000354709026	ref	7.48	-34.55	1	270.417	1.99	1	2	6	CC(C)OCCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1
365636251	ZINC000354709026	mid	7.31	-40.91	1	270.417	1.99	1	2	6	CC(C)OCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1
342079292	ZINC000625301557	ref	4.39	-9.57	0	275.414	1.767	1	3	8	CCO[C@H](CS(=O)(=O)NCC1CC(C)C1)C1CC1
342079293	ZINC000031985384	ref	5.75	-14.82	0	288.347	1.718	1	3	4	O=C(CN1C(=O)COc2ccccc21)NCC1CCCC1
178302488	ZINC000082800219	ref	5.97	-15.16	0	260.742	2.481	0	3	4	CC(=O)C[C@H](C)S(=O)(=O)c1cccc(Cl)c1
214186010	ZINC000293598882	ref	5.39	-20.05	0	371.415	0.856	0	6	7	CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1
365636259	ZINC000354710162	ref	2.5	-12.14	0	274.328	1.377	3	4	4	Cc1cncc(CNC(=O)N[C@@H](C)c2nnc(C)[nH]2)c1
398249267	ZINC000650874311	ref	0.89	-11.14	0	270.373	1.406	3	3	5	C[C@H](NC(=O)NCC[C@@]1(O)CCOC1)C1CCCC1
214186014	ZINC000293589444	ref	0.27	-20.5	0	364.431	0.503	2	6	6	COc1ncc(C)cc1NC(=O)C(=O)NCCCC1N=NC(=S)N1C
214186018	ZINC000293597411	ref	2.62	-61.1	1	372.447	0.849	2	5	9	CN(CC(=O)NC(C)(C)CCC[NH3+])S(=O)(=O)c1cccc([N+](=O)[O-])c1
342079294	ZINC000625302822	ref	4.93	-44.5	1	253.371	1.929	1	4	3	c1nnsc1C[N@@H+]1CCC[C@@H]1C1CCOCC1
342079295	ZINC000625302822	mid	5.61	-44.58	1	253.371	1.929	1	4	3	c1nnsc1C[N@H+]1CCC[C@@H]1C1CCOCC1
342079296	ZINC000625302822	high	2.36	-6.25	0	253.371	1.929	0	5	3	c1nnsc1CN1CCC[C@@H]1C1CCOCC1
342079297	ZINC000625301750	ref	4.58	-47.15	1	299.783	1.725	2	3	6	O=S(=O)(CCc1ccc(Cl)cc1)NCc1c[nH]cn1
178302493	ZINC000082802918	ref	7.98	-47.89	1	280.371	3.129	2	1	2	Cc1cc(C)cc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1
214190653	ZINC000337635145	mid	5.41	-34.22	1	281.4	0.937	1	2	2	C[C@H]1CC[C@@H](C)[N@H+]1[C@@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
342079298	ZINC000625301750	mid	4.57	-47.24	1	299.783	1.725	2	3	6	O=S(=O)(CCc1ccc(Cl)cc1)NCc1cnc[nH]1
214186023	ZINC000293593298	ref	4.84	-13.11	0	370.413	0.815	2	7	2	Cc1ccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)cc1-n1cnnn1
214186028	ZINC000293600312	ref	2.5	-13.71	0	364.398	0.834	3	6	8	COCc1cc(NC(=O)[C@@H](NC(=O)C2CC2)[C@H](C)O)cc(C(=O)OC)c1
214186032	ZINC000293597907	ref	3.03	-15.06	0	358.342	0.586	0	7	6	CCn1nc(C)c(C(=O)O[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1
214186038	ZINC000293588144	ref	4.3	-24.88	0	374.47	0.957	1	7	6	Cc1cncc(CCC(=O)N2CCN(CC(=O)Nc3nncs3)CC2)c1
214186043	ZINC000293595460	ref	2.1	-14.99	0	357.407	0.802	2	4	4	CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@H]2CF)ccc1C
214186049	ZINC000293589721	ref	3.74	-24.96	0	356.342	0.011	0	9	5	COC(=O)c1cn(CC(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)nn1
365636225	ZINC000576597012	ref	1.86	-16.88	0	249.274	1.396	1	6	4	CC(=O)Nc1cnn(Cc2noc(C(C)C)n2)c1
214186053	ZINC000293592115	ref	-1.4	-16.35	0	359.448	0.764	2	6	8	CCc1nc(C)c(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)o1
342596039	ZINC000616975621	ref	5.48	-10.86	0	261.325	1.837	1	3	4	CC[C@H](C)N(CC)C(=O)c1ccnc2c1CC(=O)N2
197593440	ZINC000290095660	ref	5.69	-42.95	1	264.394	3.37	1	3	5	CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1
197593442	ZINC000290095660	high	5.04	-5.88	0	264.394	3.37	1	4	5	CO[C@@H](C)[C@@H](C)N[C@@H](C)c1cnc2ccsc2c1
214186057	ZINC000293591999	ref	5.18	-67.61	1	350.444	0.038	1	4	1	C[N@@H+]1CC[C@]2(CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)C1
214186058	ZINC000293591999	mid	5.16	-67.64	1	350.444	0.038	1	4	1	C[N@H+]1CC[C@]2(CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)C1
398249268	ZINC000651462494	ref	4.32	-8.49	0	273.38	3.49	1	4	6	CCCc1ncc(CN[C@@H](C)c2ccc(C)nc2C)o1
342596040	ZINC000616974928	ref	5.18	-13.19	0	253.346	1.827	0	4	6	CC[C@H](C)N(CC)C(=O)c1cn(C)nc1COC
342596041	ZINC000616974940	ref	4.76	-8.01	0	254.334	1.185	0	5	7	CC[C@H](C)N(CC)C(=O)c1cn(CCOC)nn1
214186062	ZINC000293597188	ref	1.96	-14.47	0	355.416	0.323	1	6	4	CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)C1
214186066	ZINC000293599188	ref	5.78	-15.15	0	366.422	0.576	2	7	2	Cc1nc(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C)nn1C
214186069	ZINC000293592099	ref	-0.63	-15.57	0	356.444	0.316	3	5	6	Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H]2CCO[C@@H]2C)[C@@H](C)O)cc1
342596042	ZINC000616976005	ref	3.07	-19.71	0	278.418	1.482	1	3	9	CC[C@H](C)N(CC)C(=O)CCCCCS(N)(=O)=O
365636231	ZINC000576596297	ref	3.26	-25.58	0	245.282	1.228	3	3	3	O=C(CC1(O)CCC1)Nc1ccc2ccnc-2[nH]1
185088961	ZINC000096077984	mid	7.25	-40.97	1	288.395	1.809	2	2	3	Cc1cc(C(=O)N2CCC3(CC2)CC[N@H+]3CC2CC2)n[nH]1
178302482	ZINC000237210828	high	2.77	-8.1	0	360.502	1.783	2	5	6	CN1CCN(CCOc2ccc(NC(=O)[C@]3(C)CCCCN3)cc2)CC1
365636240	ZINC000625077108	ref	5.71	-12.33	0	318.373	2.223	1	4	2	C[C@H]1CN(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)C[C@@H](C)O1
178302484	ZINC000237219831	ref	7.69	-49.7	1	358.486	1.602	2	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)CCNC(=O)N2CCc3ccccc3C2)C1
365636253	ZINC000625077481	ref	5.25	-14.04	0	316.401	2.103	2	3	4	CCc1cccc2c1OCC[C@@H]2NC(=O)[C@H](C)[C@@H]1CCC(=O)N1
214186034	ZINC000053497386	ref	5.6	-39.45	1	335.311	2.957	1	3	9	COCCC[NH2+]C[C@@H](C)N(C)Cc1csc(Br)c1
214186036	ZINC000053494675	ref	2.29	-16.3	0	327.45	1.724	3	3	8	CCCNC(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
365636261	ZINC000625076410	ref	7.55	-12.69	0	301.321	2.01	0	4	1	O=C([C@H]1COc2cc(F)ccc2C1)N1CCCn2nccc21
178302487	ZINC000237202212	ref	7.07	-86.38	2	358.53	1.871	3	2	7	CN1CC[N@H+](CCCNC(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1
365636271	ZINC000625077287	ref	9.14	-12.18	0	314.38	2.493	0	5	3	Cc1nnc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)n1C[C@@H]1CCCO1
178302496	ZINC000237202212	mid	6.44	-87.18	2	358.53	1.871	3	2	7	CN1CC[N@@H+](CCCNC(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1
282122716	ZINC000248971650	low	5.65	-40.16	1	318.417	1.491	2	3	4	Cc1ccccc1CNC(=O)[C@H](C)[N@H+]1CCO[C@@]2(CCOC2)C1
343993982	ZINC000599270301	high	3.12	-11.05	0	252.358	1.542	1	4	6	CN(C[C@H](O)CC1(C#N)CC1)C[C@H]1CCCCO1
343993984	ZINC000599268631	ref	1.32	-10.42	0	297.355	1.219	1	7	6	CCOC(=O)C[C@H](O)CN1CCCC[C@H]1c1noc(C)n1
282122721	ZINC000248975326	ref	2.99	-9.13	0	309.309	1.495	1	3	3	C[C@@H]1CCN(S(=O)(=O)c2cc(F)c(F)cc2F)[C@H]1CO
343993986	ZINC000599270533	ref	3.77	-8.05	0	255.343	1.313	0	6	4	COC(=O)CC1CCN(Cc2cnns2)CC1
290622633	ZINC000492522274	ref	6.66	-11.43	0	292.404	2.457	0	4	3	COc1cncc(/C=C\C(=O)N2CCSC(C)(C)C2)c1
365636280	ZINC000625076520	ref	4.11	-13.71	0	320.361	2.146	0	4	8	CN(CCC1CC1)S(=O)(=O)c1cccnc1OCC(F)F
290622636	ZINC000492523627	ref	6.38	-11.29	0	299.378	2.108	1	5	5	CC[C@@H](NC(=O)/C=C/c1ccncn1)c1c(C)nn(C)c1C
290622639	ZINC000492523085	ref	2.68	-9.77	0	290.363	2.122	2	4	5	CC[C@H](NC(=O)/C=C/c1cncc(O)c1)C1CCOCC1
349534901	ZINC000594968868	high	3.6	-15.37	0	292.404	2.607	1	4	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2cc3cnccc3o2)C1
365636244	ZINC000576597742	ref	6.29	-45.52	1	249.358	2.395	1	3	5	Cc1ncncc1[C@H](C)[NH2+]CC[C@@H]1CCCCO1
214725022	ZINC000279232516	ref	6.81	-42.54	1	304.434	2.618	2	2	8	CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCc1ccccc1COC
365636250	ZINC000576597742	high	5.13	-4.82	0	249.358	2.395	1	4	5	Cc1ncncc1[C@H](C)NCC[C@@H]1CCCCO1
342596043	ZINC000616975833	ref	3.6	-10.76	0	262.313	1.924	2	3	4	CC[C@@H](C)N(CC)C(=O)c1cnc2[nH]c(=O)[nH]c2c1
365636267	ZINC000576598956	ref	6.28	-12.44	0	249.358	2.074	1	3	5	CC(C)C[C@@H]1C[C@H]1NC(=O)[C@@H](C)c1cnn(C)c1
349534902	ZINC000093279737	mid	5.15	-39.31	1	281.356	0.537	2	4	5	COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1
349534905	ZINC000093279737	mid	5.58	-41.63	1	281.356	0.537	2	4	5	COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1
342596044	ZINC000616974768	ref	3.97	-17.62	0	258.321	1.103	2	2	3	Cc1ccccc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CCNC1=O
365636274	ZINC000576596161	ref	8.39	-34.25	1	214.312	2.747	1	1	4	C=CCC[N@@H+]1CCC=C(c2ccccn2)C1
365636283	ZINC000576596161	mid	8.38	-34.06	1	214.312	2.747	1	1	4	C=CCC[N@H+]1CCC=C(c2ccccn2)C1
365636288	ZINC000576596161	high	5.88	-4.92	0	214.312	2.747	0	2	4	C=CCCN1CCC=C(c2ccccn2)C1
365636296	ZINC000576597597	ref	3.56	-14.04	0	238.331	1.547	1	3	4	CC(C)(CO)C(=O)N1CCC(CCC#N)CC1
365636307	ZINC000576597926	ref	-0.42	-15.03	0	234.321	0.371	2	4	8	CC[C@H](O)CCCNS(=O)(=O)CCC#N
342596045	ZINC000616974998	ref	6.44	-8.78	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1cn(-c2cccnc2)nn1
342596046	ZINC000616975388	ref	3.91	-8.37	0	296.371	1.125	0	6	6	CC[C@H](C)N(CC)C(=O)c1cn([C@@H]2COC[C@H]2OC)nn1
342596047	ZINC000616974952	ref	2.55	-19.9	0	299.33	1.51	3	4	5	O=C(N[C@@H]1CCNC1=O)c1ccccc1NCc1ccco1
342596048	ZINC000616974753	ref	7.26	-8.17	0	250.346	1.949	0	4	6	CC[C@H](C)N(CC)C(=O)c1cn(CC2CC2)nn1
365636316	ZINC000576597501	ref	7.17	-43.38	1	233.359	3.014	1	2	3	Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)C1
342596049	ZINC000616974754	ref	7.14	-8.13	0	250.346	1.949	0	4	6	CC[C@@H](C)N(CC)C(=O)c1cn(CC2CC2)nn1
365636324	ZINC000576597452	ref	6.16	-50.67	1	247.264	2.634	1	2	4	Cc1ncncc1[C@H](C)[NH2+]C[C@@H](C)C(F)(F)F
349534909	ZINC000093280814	ref	4.33	-32.18	1	273.373	0.906	2	4	7	COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCOCCO)C1
365636327	ZINC000576597452	high	5.13	-5.38	0	247.264	2.634	1	3	4	Cc1ncncc1[C@H](C)NC[C@@H](C)C(F)(F)F
365636334	ZINC000576598907	ref	5.36	-6.56	0	235.375	3.085	2	1	3	Cc1nc(C[NH2+][C@H]2CCC[C@@H](C)CC2)[nH]c1C
168364847	ZINC000368500013	ref	8.56	-47.85	1	330.472	3.429	2	2	7	CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@H]2C2CC2)cc1
178302485	ZINC000004702724	ref	5.78	-8.56	0	202.261	1.841	2	3	0	Cc1cc2[nH]c(=NN)nc(C)c2cc1C
214186042	ZINC000053512376	ref	7.96	-17.35	0	330.428	1.905	1	3	5	O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)[C@H]1CCCO1
178302495	ZINC000004702724	mid	6.08	-30.56	1	202.261	1.841	2	3	1	Cc1cc2nc(NN)[nH+]c(C)c2cc1C
178302501	ZINC000004384258	ref	6.54	-47.78	-1	218.256	2.197	1	3	3	Cc1cc2nc(CCC(=O)[O-])[nH]c2cc1C
178302505	ZINC000004384258	low	6.99	-40.21	0	218.256	2.197	1	2	3	Cc1cc2[nH]c(CCC(=O)[O-])[nH+]c2cc1C
178302509	ZINC000073737836	ref	4.75	-8.53	0	216.071	2.584	0	3	0	Cc1cc2nc(Cl)nc(Cl)c2n1C
398249270	ZINC000651462494	mid	5.32	-48.47	1	273.38	3.49	1	3	6	CCCc1ncc(C[NH2+][C@@H](C)c2ccc(C)nc2C)o1
398249272	ZINC000651464027	ref	9.82	-6.02	0	267.438	3.167	0	2	2	CC1(C)CN(C(=O)[C@H]2C[C@H]2C2CCCC2)CCS1
342079299	ZINC000625301750	low	4.58	-47.15	1	299.783	1.725	2	2	6	O=S(=O)(CCc1ccc(Cl)cc1)NCc1c[nH+]c[nH]1
398249276	ZINC000651462709	ref	5.17	-45.81	1	298.386	3.358	2	3	4	C[C@@H]([NH2+][C@@H]1CCO[C@@H](c2ccccn2)C1)c1cccc(O)c1
178302531	ZINC000002473787	ref	4.47	-28.16	1	219.288	1.974	3	2	4	Cc1cc2[nH]c(NCCCO)[nH+]c2cc1C
178302535	ZINC000002473787	mid	3.99	-10.13	0	219.288	1.974	3	3	4	Cc1cc2nc(NCCCO)[nH]c2cc1C
398249279	ZINC000651465241	ref	4.53	-5.85	0	274.286	3.065	2	3	5	OCC1(CCNc2ncccc2C(F)(F)F)CCC1
214186046	ZINC000053506957	ref	0.3	-24.17	0	340.323	1.074	1	5	7	CCS(=O)(=O)CC(=O)NCc1ccc(OCC(F)(F)F)nc1
282122718	ZINC000151669720	ref	6.32	-12.52	0	310.438	2.099	1	3	6	CC(C)(C)OC1CCN(C(=O)CCCNC(=O)C2CC2)CC1
214186050	ZINC000053502797	ref	2.83	-14.9	0	325.434	1.522	2	3	3	C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(S(N)(=O)=O)cc2)C1
214186054	ZINC000053506255	ref	6.57	-15.58	0	343.448	2.747	1	3	5	Cc1cccc(C2(C(=O)NCc3ccc(S(C)(=O)=O)cc3)CC2)c1
214190655	ZINC000337635145	high	4.2	-8.36	0	281.4	0.937	0	3	2	C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
168366105	ZINC000306582491	ref	2.11	-47.77	1	195.266	0.491	2	2	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccn1C
178302540	ZINC000051848313	ref	8.38	-44.44	-1	232.283	2.436	0	4	3	Cc1cc2nc(C)n(CCC(=O)[O-])c2cc1C
178302542	ZINC000051848313	mid	8.82	-42.49	0	232.283	2.436	0	3	3	Cc1cc2[nH+]c(C)n(CCC(=O)[O-])c2cc1C
342079300	ZINC000625301750	low	4.57	-47.24	1	299.783	1.725	2	2	6	O=S(=O)(CCc1ccc(Cl)cc1)NCc1c[nH]c[nH+]1
214186051	ZINC000278488838	ref	1.27	-17.77	0	322.371	1.117	1	7	4	O=C(NCCN1C(=O)CSC1=O)c1nc2cccnc2s1
282122722	ZINC000533470406	ref	3.75	-8.69	0	272.414	1.684	2	3	2	C[C@@H](O)[C@@H]1CCCN(C(=O)NC2CCSCC2)C1
365636254	ZINC000274361924	ref	1.03	-12.35	0	274.324	1.984	4	3	4	Cc1n[nH]cc1CNC(=O)N[C@@H](C)c1cccc(O)c1
365636266	ZINC000274361924	low	0.98	-12.04	0	274.324	1.984	4	3	4	Cc1[nH]ncc1CNC(=O)N[C@@H](C)c1cccc(O)c1
342596050	ZINC000616975641	ref	7.51	-14.59	0	251.33	1.28	0	4	6	CC[C@H](C)N(CC)C(=O)CCn1cnccc1=O
342596051	ZINC000616975309	ref	5.73	-11.93	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1cncc(-n2ccnn2)c1
290622628	ZINC000334433604	ref	4.91	-5.26	0	258.243	2.629	1	2	2	C[C@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cn1
185091432	ZINC000096081551	ref	2.31	-19.15	0	290.319	-0.036	1	4	3	COc1cccc(CC(=O)N2C[C@@H]3NC(=O)CO[C@@H]3C2)c1
282122726	ZINC000533471311	ref	1.89	-17.42	0	299.415	1.094	3	3	4	C[C@@H](O)[C@H]1CCCN(C(=O)NCCC(=O)NC(C)(C)C)C1
342596052	ZINC000364823168	ref	3.44	-23.25	0	282.34	1.069	1	4	5	C=CCCO[C@H](C)C(=O)N1CCC[C@@]2(CNC(=O)O2)C1
365636273	ZINC000274363506	ref	0.52	-11.04	0	297.355	1.166	3	4	8	COCC[C@@H](NC(=O)N[C@@H](C(N)=O)C(C)C)c1ccco1
342596053	ZINC000616975070	ref	6.89	-10.18	0	254.374	1.892	0	2	6	CCCN1C[C@H](C(=O)N(CC)[C@@H](C)CC)CC1=O
342596054	ZINC000616975069	ref	7.36	-10.45	0	254.374	1.892	0	2	6	CCCN1C[C@@H](C(=O)N(CC)[C@H](C)CC)CC1=O
197593466	ZINC000290095787	ref	5.81	-51.34	1	295.795	2.811	1	4	4	Clc1ccc([C@H]2OCC[C@H]2[NH2+]Cc2cnns2)cc1
197593468	ZINC000290095787	mid	5.08	-8.9	0	295.795	2.811	1	5	4	Clc1ccc([C@H]2OCC[C@H]2NCc2cnns2)cc1
365636284	ZINC000274361098	ref	6.87	-24.22	0	254.261	1.748	1	4	4	CCOC(=O)C(C)(C)C(=O)Nc1cccc(F)n1
365636293	ZINC000274363929	ref	7.31	-13.59	0	297.424	1.853	1	6	8	CCC[C@@H](NCCc1cn2c(n1)SCC2)C(=O)OCC
365636302	ZINC000274363929	low	8.39	-45.18	1	297.424	1.853	1	5	8	CCC[C@@H]([NH2+]CCc1cn2c(n1)SCC2)C(=O)OCC
365636308	ZINC000274360804	ref	-0.55	-11.87	0	260.2	1.218	0	7	5	COCc1noc(-c2cc(OC(F)F)n(C)n2)n1
323004597	ZINC000566538128	ref	6.64	-39.16	1	239.359	1.914	1	2	2	C[C@@H]1C[C@H]1C[N@@H+]1CCOC2(CCOCC2)CC1
349534904	ZINC000618813740	ref	5.8	-19.96	0	250.346	1.6	0	4	3	C[C@H]1CCC[C@@H](C(=O)N(C)Cc2cn(C)nn2)C1
214186064	ZINC000278486875	ref	8.47	-11.07	0	319.386	2.788	1	6	5	CCOC(=O)c1c(C2CC2)csc1NC(=O)c1cncn1C
365636320	ZINC000274362762	ref	3.73	-14.16	0	296.367	1.754	2	3	4	NC(=O)[C@@H](NC(=O)[C@H]1CCCCS1)c1ccc(F)cc1
214186055	ZINC000337624374	ref	4.33	-15.24	0	298.364	0.444	0	6	5	COC(=O)CN1CCN(C(=O)COc2ccsc2)CC1
214186061	ZINC000337626721	ref	6.82	-37.46	1	296.798	2.177	2	2	6	C[C@@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1
214186063	ZINC000337626721	mid	6.91	-37.74	1	296.798	2.177	2	2	6	C[C@@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1
214186067	ZINC000337626721	high	4.51	-9.49	0	296.798	2.177	1	3	6	C[C@@H]1CCN(CC(=O)NCCOc2cccc(Cl)c2)C1
214186070	ZINC000337627172	ref	8.08	-7.89	0	262.378	3.283	0	4	6	CCN(CCOC)c1nc(-c2ccccc2)cs1
214186073	ZINC000337624816	ref	7.24	-11.26	0	284.363	3.032	1	4	3	C[C@H]1CCC[C@H](C(=O)Nc2cnccc2-n2cccn2)C1
214186076	ZINC000337624816	mid	7.69	-35.69	1	284.363	3.032	1	3	3	C[C@H]1CCC[C@H](C(=O)Nc2c[nH+]ccc2-n2cccn2)C1
214186080	ZINC000337627918	ref	2.0	-16.19	0	262.375	0.861	1	3	4	CC(C)CCNC(=O)N1CC[C@@H](S(C)(=O)=O)C1
342596055	ZINC000616974771	ref	6.01	-18.99	0	265.361	1.273	0	5	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2nnnn2CC1
214186083	ZINC000337627546	ref	-0.14	-15.46	0	271.317	-0.611	2	6	7	C[C@H](O)CN(C(=O)COc1cnn(C)c1)[C@H](C)CO
214186086	ZINC000337626855	ref	6.82	-12.66	0	290.363	3.092	2	3	3	COC(=O)c1cc(NC(=O)N[C@@H]2CCC[C@H]2C)ccc1C
214186089	ZINC000337625403	ref	6.17	-16.04	0	283.322	2.453	1	2	4	O=C(NCCc1ccccn1)N1CCCC[C@@H]1C(F)F
214186092	ZINC000337625533	ref	7.89	-50.57	1	277.324	2.265	2	3	5	C[C@H]1CC[N@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1
214186095	ZINC000337625533	mid	7.94	-50.3	1	277.324	2.265	2	3	5	C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C1
214186099	ZINC000337626641	ref	5.19	-16.84	0	295.289	2.453	2	3	4	O=C(N[C@@H]1CCC[C@@H]1OC(F)F)c1ccc2[nH]cnc2c1
214186104	ZINC000337625045	ref	2.63	-13.93	0	267.329	0.378	1	5	7	CN(CCOCCO)C(=O)c1cnn(C)c1C1CC1
342596056	ZINC000616976595	ref	5.01	-15.88	0	275.414	1.848	0	3	5	CC[C@H](C)N(CC)C(=O)C[C@@H]1CCCS(=O)(=O)C1
398249271	ZINC000650874045	ref	5.03	-42.65	1	295.427	1.729	3	2	4	C[NH+](C)C1(CNC(=O)NC2CC3(CCC3)C2)CCOCC1
214186109	ZINC000337625883	ref	-2.32	-17.21	0	271.289	-0.367	3	3	6	CS(=O)(=O)NCCNC(=O)NC1(C(F)F)CC1
214186113	ZINC000337627729	ref	3.59	-10.01	0	270.279	2.114	2	2	3	C[C@H](NC(=O)N[C@@H]1CCOC1)c1c(F)cccc1F
214186115	ZINC000337626083	ref	2.44	-9.22	0	274.368	0.761	2	4	7	O=C(NCCN1CCC1)c1ccc(NCC2CC2)nc1
214186119	ZINC000337626083	mid	5.62	-42.03	1	274.368	0.761	3	3	7	O=C(NCC[NH+]1CCC1)c1ccc(NCC2CC2)nc1
365636255	ZINC000623069228	high	1.06	-58.35	1	304.316	1.759	3	2	5	CN(C)Cc1cccc(NC(=O)N[C@H](C[NH3+])C(F)(F)F)c1
365636262	ZINC000623068468	ref	1.56	-51.56	1	323.397	1.143	3	4	5	Cc1nc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])oc1C
365636272	ZINC000623068823	ref	0.47	-61.76	1	311.407	1.339	3	3	4	CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1
365636281	ZINC000623068546	ref	2.79	-66.14	1	306.395	1.067	2	5	3	CC(C)c1nnc(C(=O)N=c2ccn([C@@H]3CC[NH2+]C3)[nH]2)s1
365636292	ZINC000623069159	ref	2.26	-60.51	1	317.315	1.693	3	3	4	[NH3+]C[C@H](NC(=O)Nc1cccnc1N1CCCC1)C(F)(F)F
365636299	ZINC000623069159	high	1.64	-8.48	0	317.315	1.693	3	4	4	NC[C@H](NC(=O)Nc1cccnc1N1CCCC1)C(F)(F)F
365636310	ZINC000623068485	ref	0.33	-52.63	1	318.118	1.525	2	3	3	[NH3+]C[C@H](NC(=O)c1ncc(Br)s1)C(F)(F)F
365636314	ZINC000623068485	high	-0.28	-5.13	0	318.118	1.525	2	4	3	NC[C@H](NC(=O)c1ncc(Br)s1)C(F)(F)F
365636333	ZINC000623068035	ref	2.93	-53.03	1	304.213	1.715	1	3	2	C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ncc(Br)s1
365636343	ZINC000623068826	ref	0.53	-61.76	1	311.407	1.339	3	3	4	CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1
365636350	ZINC000623068784	ref	2.31	-44.5	1	302.197	1.555	2	3	3	O=C(NCC1=CC[NH2+]CC1)c1ncc(Br)s1
365636360	ZINC000623069161	ref	0.5	-53.91	1	313.361	1.945	3	4	3	COc1ncccc1NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2
365636369	ZINC000623069454	ref	1.36	-49.41	1	314.345	1.001	4	3	4	O=C(NCCC1=CC[NH2+]CC1)Nc1ccc2c(c1)C(=O)NC2=O
365636379	ZINC000623069454	high	-0.45	-76.73	0	314.345	1.001	3	3	4	O=C(NCCC1=CC[NH2+]CC1)Nc1ccc2c(c1)C(=O)[N-]C2=O
365636390	ZINC000623068291	ref	4.11	-55.68	1	312.373	1.122	2	3	1	[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[nH]3)C[C@@H]21
365636394	ZINC000623068291	mid	3.05	-81.35	0	312.373	1.122	1	3	1	[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C[C@@H]21
365636402	ZINC000623067982	ref	6.0	-54.86	1	319.796	1.697	1	4	2	C[C@H]1[C@H]([NH3+])CCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365636412	ZINC000623068660	ref	-0.07	-49.96	1	317.773	1.141	3	4	6	COc1cc(OC)c(NC(=O)N(C)C[C@H](O)C[NH3+])cc1Cl
365636422	ZINC000623069445	ref	4.91	-50.21	1	312.373	1.328	3	3	2	O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1nc2ccccc2c(=O)[nH]1
365636429	ZINC000623069445	mid	3.85	-73.35	0	312.373	1.328	2	3	2	O=C(N[C@@H]1CC[NH2+]C12CCCC2)c1nc2ccccc2c(=O)[n-]1
230744888	ZINC000425613657	ref	8.42	-12.27	0	313.13	2.178	1	4	2	C[C@]1(C(=O)Nc2nc3cc(Br)ccn3n2)C[C@@H]1F
365636263	ZINC000123212747	ref	9.12	-123.34	2	277.368	2.067	2	2	5	C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1
365636275	ZINC000123212747	mid	9.55	-123.01	2	277.368	2.067	2	2	5	C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1
365636279	ZINC000123212747	mid	7.18	-56.0	1	277.368	2.067	1	3	5	C[C@H]1CN(C)CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1
365636287	ZINC000123132851	ref	5.86	-17.91	0	285.347	2.018	1	3	3	CC[C@@](C)(C#N)NC(=O)c1ccc2c(c1)CCC(=O)N2C
365636303	ZINC000123203322	ref	4.71	-50.18	1	296.386	2.177	1	3	6	COC1(C[NH2+]Cc2ccc(N(C)C)c(F)c2)CCOCC1
365636313	ZINC000123270111	ref	5.82	-13.61	0	287.363	2.168	2	3	5	CCc1ccc(NC(=O)C(=O)N[C@@H](C)CC#N)cc1CC
365639240	ZINC000641608696	ref	4.32	-48.24	1	294.374	1.047	3	3	6	O=C(CNc1ccncc1F)NCC[NH+]1CCCCCC1
365639245	ZINC000641608696	low	4.79	-89.86	2	294.374	1.047	3	2	6	O=C(CNc1cc[nH+]cc1F)NCC[NH+]1CCCCCC1
365639250	ZINC000641608696	high	2.31	-11.65	0	294.374	1.047	2	4	6	O=C(CNc1ccncc1F)NCCN1CCCCCC1
365639257	ZINC000641608786	ref	3.12	-14.5	0	299.392	1.255	1	4	7	COC[C@H](CS(=O)(=O)N[C@@H]1CCc2ccccc21)OC
342596057	ZINC000616975362	ref	5.4	-18.62	0	261.329	1.624	0	5	4	CC[C@@H](C)N(CC)C(=O)c1ccnc2c1nnn2C
398249273	ZINC000649443109	ref	5.32	-6.39	0	218.281	2.448	0	4	1	Cc1nsc(-c2ccc3c(c2)CCO3)n1
365639263	ZINC000641608607	ref	5.85	-9.14	0	287.342	1.953	1	5	4	Cc1cc(CNc2ccncc2F)nc(N2CCCC2)n1
342596058	ZINC000616975419	ref	3.78	-14.3	0	285.369	1.141	0	5	5	CC[C@@H](C)N(CC)C(=O)c1ccnc(S(C)(=O)=O)n1
365639268	ZINC000641608607	low	6.32	-39.53	1	287.342	1.953	1	4	4	Cc1cc(CNc2cc[nH+]cc2F)nc(N2CCCC2)n1
365639274	ZINC000641608582	ref	3.3	-12.61	0	297.367	1.765	1	3	6	CCO[C@@H]1C[C@@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)C1
365639282	ZINC000641602420	ref	4.27	-17.49	0	294.38	1.001	1	5	7	C[C@H](CNS(=O)(=O)CCn1ccnc1)c1ccccn1
365639288	ZINC000641602420	low	4.78	-47.96	1	294.38	1.001	1	4	7	C[C@H](CNS(=O)(=O)CCn1cc[nH+]c1)c1ccccn1
342596059	ZINC000616974974	ref	7.14	-12.05	0	290.371	1.617	1	6	5	CC[C@@H](C)N(CC)C(=O)[C@H](C)n1cnc2c(N)ncnc21
365639293	ZINC000641608955	ref	4.13	-14.7	0	262.309	1.076	1	4	3	CC(C)Oc1cccnc1C(=O)N1C[C@H]2C[C@@]2(O)C1
342596060	ZINC000616975094	ref	4.27	-18.21	0	290.388	1.138	2	3	3	O=C1NCC[C@H]1NC(=O)[C@@H]1CSC[C@H]1c1ccccc1
342596061	ZINC000616975872	ref	6.8	-15.9	0	253.346	1.584	0	4	7	CC[C@H](C)N(CC)C(=O)COCc1ccnn1C
365636269	ZINC000354710162	mid	2.5	-12.14	0	274.328	1.377	3	4	4	Cc1cncc(CNC(=O)N[C@@H](C)c2n[nH]c(C)n2)c1
365636278	ZINC000354708381	ref	2.71	-36.77	1	283.372	1.414	2	4	8	Cc1oc(C(C)C)nc1C(=O)NCCOCC[NH+](C)C
365636285	ZINC000354708381	high	0.13	-8.37	0	283.372	1.414	1	5	8	Cc1oc(C(C)C)nc1C(=O)NCCOCCN(C)C
365636295	ZINC000354709403	ref	7.15	-42.66	1	288.395	1.456	1	3	2	C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1N(C)C
365636297	ZINC000354709403	mid	5.22	-10.11	0	288.395	1.456	1	3	2	C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1N(C)C
365636304	ZINC000354709403	high	5.22	-10.11	0	288.395	1.456	0	4	2	C[C@@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1N(C)C
365636311	ZINC000354709894	ref	7.04	-17.9	0	287.363	1.775	1	4	6	Cc1ccc(OCC(=O)NCCc2ccn(C)n2)c(C)c1
365636322	ZINC000354708283	ref	5.16	-19.38	0	273.321	1.986	1	6	2	Cc1nc2ccc(C(=O)Nc3nncs3)cc2n1C
398249274	ZINC000650874464	ref	3.94	-10.5	0	270.373	1.356	2	3	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@H](C)C1CCCC1
365636328	ZINC000354709808	ref	4.24	-46.3	1	282.34	1.113	2	4	6	COC(=O)Cc1occc1C(=O)NCC[NH2+]C(C)(C)C
214725023	ZINC000062613113	ref	7.34	-14.94	0	335.429	1.943	0	5	4	Cc1ccc(CS(=O)(=O)N2CCN(c3cc(C)on3)CC2)cc1
365636338	ZINC000354708716	ref	5.67	-13.9	0	263.341	1.255	0	4	3	COC[C@H]1CCN(C(=O)[C@@H]2CCCc3nccn32)C1
365636347	ZINC000354708716	mid	6.13	-31.92	1	263.341	1.255	0	3	3	COC[C@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1
365636355	ZINC000354709555	ref	4.16	-15.1	0	296.334	1.696	2	5	4	C[C@@H](NC(=O)c1c[nH]nc1-c1ccccn1)c1cnn(C)c1
365636361	ZINC000354709555	mid	4.01	-48.39	-1	296.334	1.696	2	5	4	C[C@@H](NC(=O)c1cn[nH]c1-c1ccccn1)c1cnn(C)c1
365636366	ZINC000354709555	high	4.01	-48.39	-1	296.334	1.696	1	5	4	C[C@@H](NC(=O)c1c[n-]nc1-c1ccccn1)c1cnn(C)c1
365636375	ZINC000354708336	ref	3.68	-39.13	1	287.4	1.485	2	4	8	COC[C@](C)(CC(=O)OC)[NH2+]C[C@@H](O)C1CCCCC1
365636386	ZINC000354708336	high	2.38	-4.21	0	287.4	1.485	2	5	8	COC[C@](C)(CC(=O)OC)NC[C@@H](O)C1CCCCC1
342596062	ZINC000590782030	ref	5.57	-6.79	0	292.404	1.983	2	3	4	CSCCNC(=O)C(=O)Nc1ccc2c(c1)CCCC2
398249277	ZINC000650870819	ref	4.95	-10.15	0	284.4	1.602	2	3	3	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C
398249470	ZINC000370103039	ref	7.34	-39.64	1	221.344	2.849	1	1	4	C1=CO[C@@H](C[NH2+]CC23CCC(CC2)C3)CC1
342596063	ZINC000590782018	ref	6.15	-12.4	0	285.347	1.998	2	3	6	N#CCc1cccc(NC(=O)C(=O)NCCCC2CC2)c1
214186059	ZINC000053511750	ref	5.86	-17.58	0	337.354	2.598	1	3	4	CN(CC(N)=O)C(=O)c1cc(-c2ccccc2)nc2cc(F)ccc12
214186065	ZINC000053503910	ref	7.65	-16.46	0	337.851	2.392	1	2	4	CN(C)C(=O)C1CCN(C(=O)NCCc2ccc(Cl)cc2)CC1
214186071	ZINC000053496912	ref	7.59	-39.12	1	339.199	3.421	2	1	6	C[C@H](CNCC(F)(F)F)[N@H+](C)Cc1cccc(Br)c1
197593472	ZINC000290094508	ref	6.63	-7.22	0	265.284	2.504	0	3	1	O=C(OC1CCOCC1)N1CCc2cc(F)ccc21
365636276	ZINC000617434994	ref	5.24	-23.23	0	294.355	0.984	1	6	5	C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
214186075	ZINC000053496912	mid	7.6	-37.69	1	339.199	3.421	2	1	6	C[C@H](CNCC(F)(F)F)[N@@H+](C)Cc1cccc(Br)c1
214186078	ZINC000053496912	mid	5.15	-3.67	0	339.199	3.421	1	2	6	C[C@H](CNCC(F)(F)F)N(C)Cc1cccc(Br)c1
214186081	ZINC000053516602	ref	6.46	-16.12	0	345.378	1.649	0	6	3	O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCO[C@@H]2CCCC[C@H]21
365636289	ZINC000617431521	ref	5.25	-20.91	0	289.339	0.411	1	5	3	C[C@@H]1C[C@H](NC(=O)[C@@H]2CC(=O)N(C3CC3)C2)c2ncnn21
214186088	ZINC000053504268	ref	3.75	-19.79	0	329.397	0.655	1	3	4	CS(=O)(=O)N1CCN(C(=O)NCCc2ccc(F)cc2)CC1
214186093	ZINC000053505496	ref	8.24	-9.77	0	328.482	2.357	1	5	9	CCCCn1c(SCC(=O)N(CC(C)C)C(C)C)n[nH]c1=O
214186097	ZINC000053493561	ref	7.6	-12.67	0	325.412	2.972	1	3	5	O=C(NCc1ccccn1)N1CCC(OCc2ccccc2)CC1
214186103	ZINC000053496964	ref	7.94	-29.58	1	327.31	4.048	1	1	7	CCC(C)(C)[NH2+]C[C@H](C)N(C)Cc1ccccc1Br
342596064	ZINC000616975363	ref	5.59	-18.25	0	261.329	1.624	0	5	4	CC[C@H](C)N(CC)C(=O)c1ccnc2c1nnn2C
214186107	ZINC000053506767	ref	5.46	-9.16	0	337.851	2.346	1	3	4	O=C(NC[C@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1
290622635	ZINC000356746180	ref	9.5	-15.35	0	331.416	3.359	1	4	4	C[C@H]1CC[C@@H]1NC(=O)c1ccc(N2CCC[C@@H](C)C2)c([N+](=O)[O-])c1
178302494	ZINC000082802918	high	6.33	-9.45	0	280.371	3.129	2	2	2	Cc1cc(C)cc(NC(=O)[C@H]2CNCc3ccccc32)c1
178305917	ZINC000065527840	ref	7.41	-12.45	0	239.278	2.331	1	3	1	Cc1cc2ncn(-c3ccc(=O)[nH]c3)c2cc1C
197593475	ZINC000290096102	ref	6.68	-15.12	0	288.351	1.398	1	5	7	C[C@@H](CNC(=O)c1ncn(C)n1)COCc1ccccc1
342596065	ZINC000590782055	ref	3.86	-7.61	0	296.392	1.675	2	4	6	CCc1ccc(NC(=O)C(=O)NCCSC)cc1OC
214186111	ZINC000053506767	low	7.68	-49.69	1	337.851	2.346	2	2	4	O=C(NC[C@H]1CCCO1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1
343993987	ZINC000079908266	ref	3.64	-12.53	0	280.368	2.006	2	4	7	CC(C)Oc1cccnc1C(=O)NC[C@H](C)C[C@H](C)O
178302497	ZINC000082802963	ref	6.81	-48.54	1	296.37	2.911	2	2	4	CCOc1ccccc1NC(=O)[C@@H]1C[NH2+]Cc2ccccc21
365636294	ZINC000625077463	ref	3.01	-10.93	0	319.373	2.055	1	3	3	Cc1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)O)C2)c(F)c1F
365636306	ZINC000625076196	ref	1.5	-6.17	0	322.331	2.071	1	5	6	C[C@@H](CC(=O)NC(C)(C)c1noc(CN(C)C)n1)C(F)(F)F
349534906	ZINC000258907072	ref	9.92	-38.43	0	233.311	2.292	1	2	5	Cc1cccc(C[N@@H+](C)CC2(C(=O)[O-])CC2)c1
230730001	ZINC000425452171	ref	4.23	-12.08	0	317.389	2.001	2	5	7	CCOc1ccc(OC[C@@H](O)CN2CCCc3n[nH]cc32)cc1
349534910	ZINC000258907072	mid	9.85	-41.53	0	233.311	2.292	1	2	5	Cc1cccc(C[N@H+](C)CC2(C(=O)[O-])CC2)c1
185088970	ZINC000096078485	ref	1.96	-45.29	1	264.329	0.284	2	5	3	c1cnc(NC[C@@H]2CO[C@@]3(C[NH2+]CCOC3)C2)cn1
349534913	ZINC000602431162	ref	6.93	-38.43	1	241.331	1.44	1	3	5	COC(=O)[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1
190493786	ZINC000269434986	ref	7.23	-10.73	0	265.328	2.88	1	2	3	Cc1cc([C@H](C)NC(=O)[C@H]2CCCCO2)ccc1F
282122724	ZINC000151670125	ref	10.4	-13.64	0	322.368	2.194	0	5	3	C[C@H]([C@@H]1Cc2ccccc2O1)N(C)C(=O)c1ccc2nncn2c1
282122734	ZINC000151681477	ref	7.26	-16.89	0	324.38	2.045	2	4	7	C[C@H](NC(=O)COc1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1
365636315	ZINC000625076196	low	4.25	-44.67	1	322.331	2.071	2	4	6	C[C@@H](CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1)C(F)(F)F
365636329	ZINC000625076973	ref	3.78	-13.16	0	322.43	2.197	2	3	5	CC1(C)C[C@@H](S(=O)(=O)NCCc2cc3ccccc3[nH]2)CO1
343993990	ZINC000079911551	ref	7.56	-8.28	0	286.375	2.128	1	2	5	CCC[C@H]1C[C@@H]1C(=O)NCC(=O)N1CCc2ccccc21
343993992	ZINC000079916926	ref	5.04	-14.79	0	292.379	2.314	1	4	8	C[C@@H](C[C@@H]1CCCO1)NC(=O)CCCOc1cccnc1
365636341	ZINC000625075807	ref	8.0	-14.1	0	300.402	2.224	1	2	4	Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c1
365636354	ZINC000625077540	ref	7.6	-11.1	0	320.437	2.025	0	6	5	CC(C)Cc1nnc(N2CC3(CCCO3)C2)n1C[C@H]1CCCO1
365636362	ZINC000625076354	ref	5.1	-9.76	0	306.406	2.4	1	4	6	CCN(CC(=O)NCC(C)(C)C)Cc1ccc2c(c1)OCO2
365636370	ZINC000625076354	mid	7.19	-45.56	1	306.406	2.4	2	3	6	CC[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc2c(c1)OCO2
365636376	ZINC000625076354	mid	7.18	-45.54	1	306.406	2.4	2	3	6	CC[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc2c(c1)OCO2
365636298	ZINC000617433580	ref	4.54	-24.13	0	278.234	0.979	1	5	4	C[C@H]1C[C@H](NC(=O)COCC(F)(F)F)c2ncnn21
178302498	ZINC000082802963	high	5.36	-9.08	0	296.37	2.911	2	3	4	CCOc1ccccc1NC(=O)[C@@H]1CNCc2ccccc21
365636305	ZINC000617432539	ref	5.05	-24.86	0	277.328	0.413	1	5	3	C[C@H]1C[C@H](NC(=O)CN2CCCCC2=O)c2ncnn21
365636312	ZINC000617435245	ref	4.32	-19.01	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)nn1C
398249275	ZINC000649443105	ref	7.41	-52.32	1	227.307	2.582	1	1	1	O=C1CCCc2c1cccc2C1=CC[NH2+]CC1
365636319	ZINC000617433120	ref	5.67	-20.53	0	250.302	0.827	1	5	5	C[C@@H]1C[C@@H](NC(=O)COCC2CC2)c2ncnn21
365636326	ZINC000617432347	ref	3.81	-21.04	0	260.301	0.999	2	5	3	CCc1n[nH]cc1C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365636335	ZINC000617431584	ref	4.34	-16.81	0	293.371	0.951	2	5	3	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@H]1C[C@H](C)n2ncnc21
190493787	ZINC000269436661	ref	1.96	-11.88	0	295.314	0.713	3	3	4	CCNC(=O)[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(F)c1
365636340	ZINC000617431814	ref	3.86	-17.85	0	260.301	0.999	2	5	3	CCc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)[nH]n1
398249278	ZINC000649443231	ref	3.77	-11.01	0	202.217	0.812	0	5	1	Cn1nnnc1-c1ccc2c(c1)CCO2
365636349	ZINC000617435395	ref	7.36	-23.98	0	283.295	0.757	1	7	2	C[C@@H]1C[C@@H](NC(=O)c2ccc3nncn3c2)c2ncnn21
342079301	ZINC000046551840	ref	3.42	-17.7	0	299.417	1.39	1	4	4	Cc1ccccc1SCC(=O)N[C@H]1CCS(=O)(=O)C1
178302503	ZINC000082802910	ref	4.56	-57.09	1	274.349	1.672	2	4	2	Cc1nnc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)s1
178302504	ZINC000082802910	high	3.1	-16.71	0	274.349	1.672	2	5	2	Cc1nnc(NC(=O)[C@H]2CNCc3ccccc32)s1
178302507	ZINC000082798597	ref	2.99	-50.03	1	261.774	2.24	1	2	4	C[C@H]([NH3+])C[C@H](C)S(=O)(=O)c1cccc(Cl)c1
365636357	ZINC000617432880	ref	7.1	-22.76	0	283.295	0.757	1	7	2	C[C@H]1C[C@H](NC(=O)c2cn3cccnc3n2)c2ncnn21
290622641	ZINC000492523085	high	3.45	-46.1	-1	290.363	2.122	1	4	5	CC[C@H](NC(=O)/C=C/c1cncc([O-])c1)C1CCOCC1
290622644	ZINC000492521970	ref	4.06	-11.12	0	290.363	2.035	1	4	5	COc1cncc(/C=C/C(=O)NC[C@@H]2CCO[C@H](C)C2)c1
365636365	ZINC000617434792	ref	1.94	-20.42	0	291.336	0.874	2	6	3	C[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)s2)c2ncnn21
178302510	ZINC000082800546	ref	5.94	-38.21	0	290.161	1.659	1	4	5	C[NH2+][C@](C)(C[C@@H](C)n1cc(Br)cn1)C(=O)[O-]
365636372	ZINC000617431812	ref	3.86	-17.87	0	260.301	0.999	2	5	3	CCc1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)[nH]n1
214186068	ZINC000278487238	ref	6.55	-10.13	0	307.781	3.191	1	4	5	COc1cc(C)c(NC(=O)CCn2cc(Cl)cn2)cc1C
214186072	ZINC000278487810	ref	8.64	-13.33	0	304.39	2.544	0	3	6	CC[C@H](C)N(OC)C(=O)Cc1cccc(N2CCCC2=O)c1
214186077	ZINC000278488939	ref	3.64	-21.85	0	305.378	1.162	2	4	6	CC1(C)CC[C@@H](C(=O)NCCC(=O)NCc2cccnc2)O1
214186082	ZINC000278488832	ref	3.2	-50.73	1	300.742	1.879	2	4	6	O=[N+]([O-])c1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(Cl)c1
214186085	ZINC000278488832	mid	2.32	-9.71	0	300.742	1.879	2	5	6	O=[N+]([O-])c1ccc(CN[C@@]2(CCO)CCOC2)c(Cl)c1
214186090	ZINC000278487809	ref	8.81	-13.25	0	304.39	2.544	0	3	6	CC[C@@H](C)N(OC)C(=O)Cc1cccc(N2CCCC2=O)c1
214186094	ZINC000278488996	ref	9.19	-15.26	0	324.424	3.433	1	2	4	Cc1ccc([C@@H]2C[C@H](C)N(C(=O)CCc3ccc(=O)[nH]c3)C2)cc1
214186100	ZINC000278487803	ref	8.9	-18.98	0	304.325	2.507	2	4	3	CC1(C)CC[C@@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)O1
343993988	ZINC000599270533	mid	6.12	-47.06	1	255.343	1.313	1	5	4	COC(=O)CC1CC[NH+](Cc2cnns2)CC1
214186102	ZINC000278487803	low	8.82	-15.79	0	304.325	2.507	2	4	3	CC1(C)CC[C@@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1
214186106	ZINC000278487803	high	8.68	-61.5	-1	304.325	2.507	1	4	3	CC1(C)CC[C@@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1
214186110	ZINC000278487115	ref	4.57	-5.73	0	319.283	2.972	2	5	4	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCC[C@@H]1O
214186112	ZINC000278487203	ref	5.82	-10.41	0	301.394	2.644	2	4	5	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@H](C)C(C)C)n2)c1
349534907	ZINC000594968893	ref	5.65	-46.58	1	271.451	2.836	1	2	4	Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
214186118	ZINC000278487835	ref	4.3	-15.91	0	306.757	1.022	1	6	3	Cc1nnc2n1C[C@@H](CNC(=O)c1cnc(Cl)cn1)CC2
214186121	ZINC000278487206	ref	5.81	-10.39	0	301.394	2.644	2	4	5	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@@H](C)C(C)C)n2)c1
342079302	ZINC000623714633	ref	3.96	-12.61	0	291.342	1.445	2	2	4	CNC(=O)CCCNC(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342079303	ZINC000077846659	ref	1.87	-8.49	0	296.342	1.596	3	3	4	Cc1ccc(NC(=O)C(=O)NC[C@](C)(O)C(C)C)cc1F
342079304	ZINC000625301127	ref	6.06	-15.04	0	272.352	1.101	1	4	3	O=C(N1CCC(Nc2cccnn2)CC1)C12CC(C1)C2
342079305	ZINC000625304264	ref	7.68	-9.54	0	270.34	1.845	1	5	4	C1=CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CC1
342079306	ZINC000031994033	ref	6.89	-13.05	0	257.297	1.709	1	5	4	Cc1ccc(NC(=O)CC2CC2)cc1-n1cnnn1
365636309	ZINC000641603621	ref	0.85	-10.76	0	283.34	1.112	2	3	6	C[C@]1(CS(=O)(=O)N[C@H](CO)C2CCC2)CC1(F)F
365636318	ZINC000641603883	ref	3.04	-12.01	0	284.315	1.857	1	4	2	Cc1ccc(-c2ocnc2C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
342596066	ZINC000616975093	ref	4.27	-18.84	0	290.388	1.138	2	3	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1CSC[C@H]1c1ccccc1
365636323	ZINC000641603281	ref	3.85	-8.73	0	255.358	1.421	1	3	6	CC(C)C[C@H](C)OCCC(=O)N1C[C@H]2C[C@@]2(O)C1
365636330	ZINC000641603329	ref	5.85	-11.32	0	295.408	1.756	0	5	3	CC[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@@H](C)S1(=O)=O
342596067	ZINC000616975638	ref	7.56	-13.98	0	274.328	1.318	0	6	5	CC[C@H](C)N(CC)C(=O)c1ccc(-n2cnnn2)cn1
365636336	ZINC000641603141	ref	-2.19	-43.9	-1	291.351	1.843	1	5	6	COc1ccc(-c2n[n-]c(=NC[C@@H](CO)C(C)C)o2)cc1
342596068	ZINC000616974750	ref	3.74	-18.33	0	260.337	1.602	2	2	2	CC(C)(C)c1cccc(C(=O)N[C@H]2CCNC2=O)c1
365636346	ZINC000641603646	ref	4.34	-18.94	0	298.412	1.12	0	5	5	CC1(CS(=O)(=O)N2CC[C@@H](Cn3ccnn3)C2)CCC1
230730016	ZINC000414302040	ref	7.78	-40.08	1	315.523	3.394	1	2	4	CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1
365636353	ZINC000641603589	ref	1.67	-10.24	0	291.413	1.147	1	4	7	CO[C@H](CNS(=O)(=O)CC1(C)CCC1)[C@@H]1CCOC1
342596069	ZINC000616974908	ref	3.46	-16.15	0	252.358	1.742	2	2	4	O=C(CCC1CCCCCC1)N[C@@H]1CCNC1=O
365636359	ZINC000641603899	ref	5.15	-11.92	0	275.373	1.61	1	3	1	O=C([C@@H]1SCCc2ccccc21)N1C[C@@H]2C[C@]2(O)C1
365636367	ZINC000641603466	ref	4.39	-39.87	1	265.361	1.108	3	4	8	CCC[N@H+](CC)C[C@@H](C)Nc1cc(C(N)=O)ncn1
214186074	ZINC000293588958	ref	1.95	-16.66	0	362.171	0.279	2	4	2	C[C@H]1CCNC(=O)[C@H]1NC(=O)c1cnn(C)c1I
365636373	ZINC000641603466	mid	3.95	-39.78	1	265.361	1.108	3	4	8	CCC[N@@H+](CC)C[C@@H](C)Nc1cc(C(N)=O)ncn1
349534908	ZINC000618812930	ref	3.23	-11.26	0	262.357	1.072	2	3	3	N#CCN1CCC(NC(=O)N[C@@H]2[C@H]3CCC[C@H]32)CC1
349534911	ZINC000618814001	ref	2.76	-24.33	0	260.297	1.101	1	5	3	Cc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1O
365636380	ZINC000641603579	ref	3.58	-9.47	0	273.398	1.808	1	3	5	O=S(=O)(CC[C@@H]1CCCCO1)N[C@]12CCC[C@H]1C2
178302499	ZINC000237202212	mid	6.79	-88.81	2	358.53	1.871	3	2	7	C[N@@H+]1CCN(CCCNC(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1
365636387	ZINC000641603452	ref	2.5	-8.6	0	257.355	1.168	1	3	3	O=S(=O)(N[C@]12CCC[C@H]1C2)[C@@H]1C[C@@H]2CC[C@H]1O2
365636392	ZINC000641603345	ref	5.38	-13.55	0	267.373	1.439	1	2	2	CC(=O)N1CC[C@H](CNC(=O)N2CCCC[C@H]2C)C1
365636325	ZINC000336553932	mid	1.89	-6.72	0	250.342	2.292	0	4	2	Cc1nc(CN2CCC[C@H]3COCC[C@H]32)oc1C
230730037	ZINC000450402442	ref	6.33	-8.21	0	314.311	1.843	2	5	4	CN(C)c1nc(NC[C@](C)(O)C(F)(F)F)nc2ccccc12
214186079	ZINC000293592375	ref	3.38	-17.76	0	364.427	0.617	1	6	2	Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cn2ccnc12
178302502	ZINC000237202212	mid	7.23	-88.13	2	358.53	1.871	3	2	7	C[N@H+]1CCN(CCCNC(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1
178302506	ZINC000237202212	high	4.84	-41.81	1	358.53	1.871	2	3	7	CN1CCN(CCCNC(=O)CC2CC[NH2+]CC2)[C@@H](c2ccccc2)C1
230730040	ZINC000450402442	low	6.7	-27.66	1	314.311	1.843	2	4	4	CN(C)c1nc(NC[C@](C)(O)C(F)(F)F)[nH+]c2ccccc12
365636332	ZINC000336553274	ref	6.82	-33.74	1	278.318	2.27	1	1	2	C[C@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636339	ZINC000336553274	mid	7.18	-33.93	1	278.318	2.27	1	1	2	C[C@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
230730049	ZINC000450403714	ref	4.61	-8.27	0	320.324	1.57	0	6	4	CCOc1cc(C(=O)N2CCN(c3ccc(F)cn3)CC2)on1
349534912	ZINC000594970036	ref	5.63	-55.1	1	298.477	2.8	1	3	5	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2scnc2C2CC2)C1
365636344	ZINC000336553274	mid	5.05	-9.51	0	278.318	2.27	0	2	2	C[C@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
178302508	ZINC000237221367	ref	7.23	-48.2	1	360.483	1.757	2	4	7	C[NH2+]C[C@H]1CCCN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1
365636352	ZINC000336551925	ref	10.14	-43.48	1	260.385	2.204	1	3	3	C1CC(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)C1
178302511	ZINC000237222350	ref	5.97	-88.67	0	364.423	1.964	0	6	4	Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1
365636358	ZINC000336551925	mid	9.8	-43.59	1	260.385	2.204	1	3	3	C1CC(C[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)C1
365636368	ZINC000336554097	ref	7.67	-43.89	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]2COCC[C@H]21
365636374	ZINC000336554097	mid	7.24	-45.14	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@H+]1CCC[C@@H]2COCC[C@H]21
178305393	ZINC000037694322	low	5.9	-32.4	1	204.273	2.034	1	2	2	Cc1cc2[nH+]cn(C[C@@H](C)O)c2cc1C
365636381	ZINC000336554098	ref	7.28	-45.42	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@@H+]1CCC[C@H]2COCC[C@@H]21
412491587	ZINC000565148681	ref	6.88	-13.01	0	324.385	-0.213	1	8	6	COCCO[C@@H]1CCCN(C(=O)c2nc(N)nc(N(C)C)n2)C1
365636388	ZINC000336554098	mid	7.67	-44.16	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@H+]1CCC[C@H]2COCC[C@@H]21
214186084	ZINC000293592375	mid	3.87	-40.89	1	364.427	0.617	1	5	2	Cc1cc(NC(=O)C(=O)N2CCC[C@@H](S(C)(=O)=O)C2)cn2cc[nH+]c12
214186087	ZINC000293589318	ref	6.08	-25.7	0	369.443	0.53	0	6	5	COC(=O)[C@H](CC(C)C)N(C)C(=O)C1=CN2CCS(=O)(=O)N=C2C=C1
214186091	ZINC000293596635	ref	3.54	-24.44	0	366.403	0.079	3	7	6	CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2ncn(C)n2)cc1
214186096	ZINC000293595067	ref	4.7	-56.98	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1
343993989	ZINC000599270857	ref	4.66	-9.22	0	282.296	1.097	0	6	6	COC(=O)[C@@H](C)CN(C(=O)c1coc(OC)n1)C1CC1
214186098	ZINC000293595067	mid	4.25	-49.77	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1
214186101	ZINC000293595067	high	2.11	-13.47	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1
214186105	ZINC000293589021	ref	5.53	-19.15	0	354.414	0.693	0	8	6	COCCn1nnc2c1CCN(CCn1cnc3ccccc3c1=O)C2
365636331	ZINC000274362096	ref	4.9	-9.32	0	278.308	1.276	1	5	6	CCOC(=O)c1cnc(C)c(C(=O)NCC(=O)CC)c1
365636342	ZINC000274361922	ref	1.03	-12.56	0	274.324	1.984	4	3	4	Cc1n[nH]cc1CNC(=O)N[C@H](C)c1cccc(O)c1
290622643	ZINC000333194300	ref	3.0	-21.64	0	300.424	0.963	1	3	3	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)C1
349534914	ZINC000093280814	mid	3.88	-33.02	1	273.373	0.906	2	4	7	COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCOCCO)C1
214186108	ZINC000293590052	ref	0.48	-19.58	0	357.384	0.711	2	7	4	COC(=O)c1cccc(NC(=O)C2(S(C)(=O)=O)CCOCC2)c1O
214186114	ZINC000293598888	ref	5.32	-22.28	0	371.415	0.856	0	6	7	CN(C(=O)CCOc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1
365636348	ZINC000274361922	low	0.99	-11.93	0	274.324	1.984	4	3	4	Cc1[nH]ncc1CNC(=O)N[C@H](C)c1cccc(O)c1
342079307	ZINC000625300074	ref	2.54	-39.79	1	293.407	1.756	4	3	9	OCCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccccc1
342079308	ZINC000625300074	high	1.59	-5.73	0	293.407	1.756	4	4	9	OCCC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccccc1
299072224	ZINC000567664784	ref	0.96	-10.74	0	274.324	2.465	2	4	4	Cc1nnc([C@H](C)NC(=O)c2cc[nH]c2C2CCC2)o1
230730050	ZINC000425455149	ref	4.02	-10.6	0	317.436	2.041	2	6	6	COC(=O)c1cnc([C@H](C)NC(=O)N[C@H](C)CSC)s1
342079309	ZINC000623714632	ref	3.71	-12.79	0	291.342	1.445	2	2	4	CNC(=O)CCCNC(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
168366108	ZINC000041053720	ref	1.78	-91.72	2	171.288	-0.03	2	1	2	C[C@@H]([NH3+])[C@@H](C)N1CC[NH+](C)CC1
197593486	ZINC000162817519	ref	7.27	-10.43	0	322.408	3.171	2	2	4	C[C@@H]1CC[C@@H](NC(=O)CNC(=O)c2ccccc2)c2ccccc21
178302512	ZINC000082800545	ref	5.09	-30.87	0	290.161	1.659	1	4	5	C[NH2+][C@](C)(C[C@H](C)n1cc(Br)cn1)C(=O)[O-]
190493792	ZINC000269434677	ref	8.54	-13.46	0	279.311	2.302	0	3	3	COC(=O)C[C@@H]1CCCN1C(=O)c1cc(C)cc(F)c1
230730036	ZINC000414302637	ref	6.62	-43.51	1	323.477	3.328	2	3	9	CC[C@H]([NH2+][C@@H](C)Cc1cc(OC)c(OC)cc1C)[C@@H](O)C(C)C
365636337	ZINC000576598907	high	5.36	-6.56	0	235.375	3.085	2	2	3	Cc1nc(CN[C@H]2CCC[C@@H](C)CC2)[nH]c1C
178302515	ZINC000082802931	ref	3.11	-59.8	1	287.363	0.597	2	2	2	NC(=O)C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1
178302517	ZINC000082802931	high	1.72	-14.81	0	287.363	0.597	2	3	2	NC(=O)C1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1
365636351	ZINC000576597178	ref	2.25	-7.36	0	246.314	1.134	2	5	3	N#Cc1ccc(N2CCC(CCO)CC2)nc1N
178302519	ZINC000082802937	ref	1.46	-55.52	1	289.379	0.01	2	3	3	O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCN(CCO)CC1
365636364	ZINC000576598957	ref	6.28	-12.39	0	249.358	2.074	1	3	5	CC(C)C[C@@H]1C[C@H]1NC(=O)[C@H](C)c1cnn(C)c1
365636371	ZINC000576597751	ref	6.56	-8.3	0	236.271	2.815	1	4	5	COc1cccc([N+](=O)[O-])c1NCC1CCC1
365636382	ZINC000576596860	ref	0.85	-52.37	1	246.332	-0.487	1	3	2	[NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O
365636389	ZINC000576596860	high	1.1	-16.13	0	246.332	-0.487	1	4	2	NC[C@@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O
365636398	ZINC000576597041	ref	-1.04	-14.62	0	215.293	0.236	2	3	4	CC[C@@](C)(CO)C(=O)N1CC(C)(CO)C1
365636405	ZINC000576596817	ref	0.64	-11.91	0	244.316	1.246	2	5	5	COCc1cnc(NC(=O)C(C)(C)CO)s1
365636413	ZINC000576599486	ref	4.62	-6.54	0	249.358	2.048	1	3	4	CCCn1cc(C[NH+]2CCC3(CCO3)CC2)cn1
365636421	ZINC000576599486	high	4.62	-6.54	0	249.358	2.048	0	4	4	CCCn1cc(CN2CCC3(CCO3)CC2)cn1
365636427	ZINC000576598846	ref	-1.88	-10.56	0	239.275	-0.007	3	3	6	CC(C)[NH2+]CC(=O)NCc1ccc(C(N)=O)o1
178302524	ZINC000082802937	low	3.76	-107.95	2	289.379	0.01	3	2	3	O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](CCO)CC1
365636436	ZINC000576598846	high	-1.88	-10.56	0	239.275	-0.007	3	4	6	CC(C)NCC(=O)NCc1ccc(C(N)=O)o1
365636443	ZINC000576597871	ref	-1.4	-10.56	0	225.31	-0.335	1	4	7	CC[C@@H](CS(=O)(=O)N(C)CCO)OC
365636450	ZINC000576598785	ref	2.8	-35.66	1	246.314	1.27	2	5	5	Cc1ncc(CNc2ccc(CCO)nc2)n1C
230730053	ZINC000425454852	ref	8.33	-38.46	1	318.461	2.383	1	3	8	CO[C@H](C[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1)C1CC1
342596070	ZINC000616975667	ref	6.42	-10.04	0	295.383	1.54	0	5	8	CC[C@H](C)N(CC)C(=O)c1ccc(=O)n(CCCOC)n1
230730056	ZINC000425454852	high	6.25	-3.52	0	318.461	2.383	1	4	8	CO[C@H](CN[C@@H](CN1CCOCC1)c1ccc(C)cc1)C1CC1
365636356	ZINC000274361882	ref	1.3	-11.3	0	288.307	1.883	2	6	4	COc1cc2c(cc1NCc1nc(C)no1)NC(=O)CC2
342596071	ZINC000616974909	ref	3.47	-16.15	0	252.358	1.742	2	2	4	O=C(CCC1CCCCCC1)N[C@H]1CCNC1=O
365636363	ZINC000274361673	ref	6.52	-11.77	0	272.26	1.488	0	6	3	COC(=O)C1(C(=O)Oc2ccc3nccnc3c2)CC1
349534915	ZINC000618813735	ref	6.32	-18.08	0	261.329	1.226	0	5	5	C[C@@H](CC(=O)N(C)Cc1cn(C)nn1)n1cccc1
365636377	ZINC000274361208	ref	4.25	-15.3	0	267.304	1.71	2	3	5	CC(=O)N[C@@H](CC(C)C)C(=O)Nc1cccc(F)n1
365636384	ZINC000274364194	ref	2.24	-10.5	0	278.356	1.619	3	3	3	Cc1n[nH]cc1CNC(=O)N[C@@H]1CCOC2(CCC2)C1
185088973	ZINC000096076031	ref	2.47	-13.18	0	295.408	1.275	0	5	4	COCC(=O)N1CC[C@@]2(CCN2Cc2csc(C)n2)C1
365636393	ZINC000274364194	mid	2.2	-10.26	0	278.356	1.619	3	3	3	Cc1[nH]ncc1CNC(=O)N[C@@H]1CCOC2(CCC2)C1
365636400	ZINC000274363418	ref	5.5	-17.11	0	299.421	1.543	0	5	4	Cc1c(C(=O)N(C)[C@@H](C)C[S@@](C)=O)sc2nccn12
365636409	ZINC000274361785	ref	2.31	-9.3	0	293.342	1.622	3	2	4	CC(C)[C@H](NC(=O)N[C@H]1CCc2c(F)cccc21)C(N)=O
342596072	ZINC000616974772	ref	6.04	-18.3	0	265.361	1.273	0	5	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2nnnn2CC1
230730078	ZINC000425452055	ref	7.23	-40.85	1	305.418	2.474	2	3	7	COC(=O)[C@H](CC[NH2+][C@H]1CCC[C@]1(C)CO)c1ccccc1
365636416	ZINC000274363406	ref	0.18	-38.44	1	272.776	1.449	3	3	8	CCN(CCO)CC[NH2+]Cc1c(O)cccc1Cl
185088975	ZINC000096076031	low	5.43	-43.62	1	295.408	1.275	1	4	4	COCC(=O)N1CC[C@@]2(CC[N@@H+]2Cc2csc(C)n2)C1
365636419	ZINC000274363406	mid	0.94	-27.25	0	272.776	1.449	2	3	8	CCN(CCO)CC[NH2+]Cc1c([O-])cccc1Cl
323004598	ZINC000566538128	mid	6.56	-35.61	1	239.359	1.914	1	2	2	C[C@@H]1C[C@H]1C[N@H+]1CCOC2(CCOCC2)CC1
178302513	ZINC000237222350	low	6.44	-88.51	0	364.423	1.964	1	5	4	Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1
365636425	ZINC000274362229	ref	4.75	-15.86	0	292.343	1.678	3	6	4	C[C@H](CNC(=O)OC(C)(C)C)Nc1ncnc2nc[nH]c12
365636428	ZINC000274362229	mid	4.82	-11.56	0	292.343	1.678	3	6	4	C[C@H](CNC(=O)OC(C)(C)C)Nc1ncnc2[nH]cnc12
214186116	ZINC000053495085	ref	9.03	-9.25	0	332.419	2.936	0	2	2	C[C@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1
342596073	ZINC000590782057	ref	3.98	-9.26	0	296.392	1.891	2	4	6	CSCCNC(=O)C(=O)Nc1cccc(OC(C)C)c1
342596074	ZINC000616975072	ref	7.01	-10.19	0	254.374	1.892	0	2	6	CCCN1C[C@H](C(=O)N(CC)[C@H](C)CC)CC1=O
342596075	ZINC000616975666	ref	6.29	-10.08	0	295.383	1.54	0	5	8	CC[C@@H](C)N(CC)C(=O)c1ccc(=O)n(CCCOC)n1
214186124	ZINC000053511883	ref	7.48	-13.28	0	329.448	2.208	1	4	5	CC(C)CCNC(=O)N1CCN(Cc2cn3ccccc3n2)CC1
214186127	ZINC000053511883	low	7.59	-36.44	1	329.448	2.208	1	3	5	CC(C)CCNC(=O)N1CCN(Cc2cn3ccccc3[nH+]2)CC1
214186131	ZINC000053496083	ref	6.0	-35.84	1	347.322	3.1	1	3	7	C[C@@H](C[NH2+]C[C@@H]1CCCO1)N(C)Cc1cc(Br)cs1
214186134	ZINC000053513518	ref	10.66	-42.11	1	329.488	3.339	2	1	3	C[C@H]1C[C@@H](C)CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1
214186139	ZINC000053513518	high	8.3	-7.86	0	329.488	3.339	1	2	3	C[C@H]1C[C@@H](C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
214186141	ZINC000053508091	ref	1.32	-18.16	0	330.381	1.382	2	4	4	COc1ccc([C@H](C)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1F
214186146	ZINC000053493711	ref	3.53	-9.69	0	338.433	0.627	2	4	3	CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2cccs2)CC1
214186153	ZINC000053513159	ref	8.62	-14.65	0	342.464	3.102	1	3	5	O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1ccsc1
398249280	ZINC000650874547	ref	-0.12	-12.05	0	297.355	1.139	3	5	6	CC(C)c1cc(CNC(=O)NCC[C@@]2(O)CCOC2)on1
214186164	ZINC000053508335	ref	1.75	-24.32	0	332.426	-0.714	1	4	5	CS(=O)(=O)N1CCN(C(=O)NCCCN2CCCC2=O)CC1
214186170	ZINC000053509343	ref	7.25	-10.17	0	336.439	2.622	1	3	5	O=C(NCc1ccncc1)N1CCN(C/C=C/c2ccccc2)CC1
214186175	ZINC000053509343	low	9.5	-50.29	1	336.439	2.622	2	2	5	O=C(NCc1ccncc1)N1CC[NH+](C/C=C/c2ccccc2)CC1
342596076	ZINC000616974971	ref	7.24	-12.19	0	290.371	1.617	1	6	5	CC[C@@H](C)N(CC)C(=O)[C@@H](C)n1cnc2c(N)ncnc21
342596077	ZINC000616975142	ref	4.58	-10.39	0	255.274	1.09	1	5	7	CCOCCCNC(=O)c1cc([N+](=O)[O-])cn1C
178305397	ZINC000000156788	ref	5.1	-11.56	0	224.267	2.311	1	4	1	Cc1cc2nn(-c3ccccc3)nc2cc1N
214186180	ZINC000053498499	ref	8.09	-33.59	1	327.31	4.048	1	1	7	CCC(C)(C)[NH2+]C[C@@H](C)N(C)Cc1ccc(Br)cc1
349534916	ZINC000594970036	high	4.84	-12.68	0	298.477	2.8	1	4	5	C[S@](=O)[C@H]1CCC[C@H](NCc2scnc2C2CC2)C1
398249281	ZINC000649443228	ref	4.44	-47.73	1	214.268	1.558	2	1	1	O=C1Cc2ccc(C3=CC[NH2+]CC3)cc2N1
398249284	ZINC000649443073	ref	6.91	-52.99	1	243.31	1.254	1	3	1	Cn1c(=O)n(C)c2cc(C3=CC[NH2+]CC3)ccc21
365636378	ZINC000617433123	ref	5.67	-20.52	0	250.302	0.827	1	5	5	C[C@H]1C[C@H](NC(=O)COCC2CC2)c2ncnn21
178302516	ZINC000237222350	low	6.44	-88.51	0	364.423	1.964	1	5	4	Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1
398249288	ZINC000649443060	ref	5.04	-45.93	1	210.227	2.396	1	1	2	FC(F)c1cncc(C2=CC[NH2+]CC2)c1
214186117	ZINC000293585626	ref	4.69	-15.85	0	374.397	0.682	2	6	3	COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3[nH]c(=O)[nH]c3n2)CC1
168364848	ZINC000345345117	ref	7.5	-41.33	1	221.348	2.915	1	2	5	CCC(CC)C[NH2+][C@H]1C[C@H](C)n2ccnc21
282122727	ZINC000248976186	ref	2.17	-10.05	0	304.456	1.348	2	3	6	CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)[C@H]1CCO[C@@H]1C
168364852	ZINC000345345117	high	7.53	-8.29	0	221.348	2.915	1	3	5	CCC(CC)CN[C@H]1C[C@H](C)n2ccnc21
168364856	ZINC000083375067	ref	6.13	-5.21	0	246.276	3.949	1	2	5	CCC(CC)CNc1ccc(C(F)(F)F)nc1
178302520	ZINC000237219746	ref	7.82	-42.41	1	358.53	1.965	2	2	6	C[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1
178302521	ZINC000237219746	high	7.82	-42.41	1	358.53	1.965	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)CCN2CCN(c3cccc(C)c3)CC2)C1
282122731	ZINC000248976186	mid	3.69	-48.92	1	304.456	1.348	2	3	6	CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)[C@H]1CCO[C@@H]1C
365636385	ZINC000617433374	ref	4.18	-18.34	0	294.355	0.986	1	6	6	C[C@@H]1C[C@H](NC(=O)CCOC[C@H]2CCCO2)c2ncnn21
365636397	ZINC000617435243	ref	4.33	-18.96	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)nn1C
365636406	ZINC000617431809	ref	3.87	-17.46	0	260.301	0.999	2	5	3	CCc1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)[nH]n1
365636414	ZINC000617434295	ref	6.55	-22.49	0	291.355	0.801	1	5	2	CC(=O)N1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365636418	ZINC000617432349	ref	3.82	-21.75	0	260.301	0.999	2	5	3	CCc1n[nH]cc1C(=O)N[C@H]1C[C@H](C)n2ncnc21
365636426	ZINC000617432416	ref	4.1	-15.61	0	258.285	0.812	1	6	2	Cc1nccc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)n1
323004599	ZINC000156412018	ref	2.11	-7.56	0	212.293	1.428	2	2	3	C=CCNC(=O)NC1C[C@H](C)O[C@@H](C)C1
398249291	ZINC000649443081	ref	6.86	-43.84	1	209.239	3.001	1	0	2	FC(F)c1ccc(C2=CC[NH2+]CC2)cc1
168364859	ZINC000370965100	ref	7.26	-51.88	1	221.348	2.224	1	2	5	CCC(CC)C[NH2+][C@H]1CCc2nccn2C1
342596078	ZINC000616975294	ref	4.45	-15.54	0	276.34	1.998	0	5	5	CC[C@H](C)N(CC)C(=O)c1cnc2ccc(OC)nn12
365636383	ZINC000625079128	ref	4.04	-11.04	0	321.508	2.397	1	4	5	CCC(C)(C)CS(=O)(=O)N[C@@H]1CCO[C@]2(CCSC2)C1
230730079	ZINC000450403681	ref	4.63	-19.38	0	306.353	1.42	1	3	5	CN(C)C(=O)[C@H]1CC[C@H](CNC(=O)C(C)(C)C(C)(F)F)O1
365636391	ZINC000625079443	ref	9.03	-11.69	0	320.437	2.374	0	6	5	COCc1nnc(N2CCCC3(CC2)CC3)n1C[C@@H]1CCCO1
365636404	ZINC000625077462	ref	3.28	-11.47	0	319.373	2.055	1	3	3	Cc1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)O)C2)c(F)c1F
230730089	ZINC000450405702	ref	4.06	-12.66	0	301.346	1.084	2	6	4	COc1ccc(-c2ccnc(N3C[C@@H](O)C[C@@H]3CO)n2)cc1
365636411	ZINC000625078664	ref	8.0	-15.21	0	314.389	2.294	0	6	4	COc1cccc2c1CN(c1nnc(C)n1C[C@H]1CCCO1)C2
365636423	ZINC000625078955	ref	4.22	-11.25	0	321.393	2.169	1	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCc2c[nH]nc2C1
365636433	ZINC000625076412	ref	7.52	-12.76	0	301.321	2.01	0	4	1	O=C([C@@H]1COc2cc(F)ccc2C1)N1CCCn2nccc21
365636442	ZINC000625078020	ref	3.22	-10.77	0	321.389	2.301	1	3	4	Cc1ccc(S(=O)(=O)N(C)[C@H](CO)C(C)(C)C)c(F)c1F
365636449	ZINC000625077568	ref	7.81	-11.41	0	318.421	2.094	0	6	4	C1CC(c2nnc(N3CC4(CCCO4)C3)n2C[C@H]2CCCO2)C1
230730108	ZINC000450405652	ref	2.59	-9.59	0	307.39	1.674	2	4	7	CC[C@@](C)(CO)NC(=O)Cc1ccccc1O[C@H]1CCOC1
342596079	ZINC000616975639	ref	7.44	-14.01	0	274.328	1.318	0	6	5	CC[C@@H](C)N(CC)C(=O)c1ccc(-n2cnnn2)cn1
342596080	ZINC000616974927	ref	3.23	-15.55	0	273.354	1.944	0	4	5	CC[C@H](C)N(CC)C(=O)c1coc(S(C)(=O)=O)c1
197593501	ZINC000162812331	ref	8.42	-5.5	0	301.699	4.414	1	3	3	CC(C)c1nc(Cl)cc(Nc2ccc(F)c(F)c2F)n1
365636457	ZINC000625077321	ref	8.47	-14.16	0	300.353	2.391	0	5	3	Cc1nnc(N2CCCC(F)(F)CC2)n1C[C@H]1CCCO1
197593503	ZINC000162813335	ref	6.29	-9.88	0	322.405	2.016	1	6	7	CCCOCCOC(=O)c1ccnc(N2CCC[C@](C)(O)C2)c1
342600541	ZINC000616999714	ref	6.07	-40.22	1	290.411	1.944	2	3	3	Cc1ncc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)n1
342600542	ZINC000616999714	mid	6.09	-40.61	1	290.411	1.944	2	3	3	Cc1ncc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)n1
342600543	ZINC000194694669	ref	2.03	-10.24	0	260.297	1.569	2	4	2	C[C@H]1COCC[C@H]1C(=O)Nc1ccc2n[nH]nc2c1
365636466	ZINC000625075744	ref	7.99	-13.47	0	300.402	2.224	1	2	4	Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H]2CC(=O)N(C(C)C)C2)c1
214186120	ZINC000293591251	ref	1.55	-69.63	1	369.487	0.796	2	4	8	CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1
214186125	ZINC000293590538	ref	3.09	-56.99	1	363.439	0.675	1	4	2	CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2S1(=O)=O
178302522	ZINC000237203378	ref	5.08	-49.99	1	353.488	1.036	1	3	4	C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
178302526	ZINC000237203378	high	3.64	-13.05	0	353.488	1.036	1	4	4	CNCC(=O)N1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1
178302529	ZINC000237223219	ref	2.5	-48.39	1	350.459	1.879	3	4	8	COc1cc(OC)cc([C@H](O)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1
349534917	ZINC000093280814	high	2.11	-7.1	0	273.373	0.906	1	5	7	COC(=O)C(C)(C)[C@@H]1CCCN(CCOCCO)C1
214186132	ZINC000293600149	ref	7.0	-18.35	0	357.366	0.599	1	7	6	COC(=O)[C@@H](NC(=O)CCn1cnccc1=O)c1ccc2c(c1)CCO2
214186136	ZINC000293586679	ref	2.19	-28.37	0	369.399	0.399	2	6	6	C[C@@H]1CC(=O)N[C@H](C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1
178302534	ZINC000237221617	ref	4.0	-7.51	0	356.264	1.38	2	3	7	COCC[NH2+]CC(=O)N[C@@H]1CCN(c2ccccc2Br)C1
178302538	ZINC000237221617	high	4.0	-7.51	0	356.264	1.38	2	4	7	COCCNCC(=O)N[C@@H]1CCN(c2ccccc2Br)C1
178302541	ZINC000237203598	ref	3.73	-51.59	1	366.27	1.046	1	3	4	C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
214186143	ZINC000293587636	ref	-0.06	-22.47	0	374.484	0.458	1	5	4	Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@H](CS(C)(=O)=O)C2)c1C
342079310	ZINC000625300832	ref	4.61	-12.67	0	297.367	1.766	1	3	9	CCO[C@@H](CS(=O)(=O)NCC[C@H]1CC1(F)F)C1CC1
342079311	ZINC000625300831	ref	4.61	-13.6	0	297.367	1.766	1	3	9	CCO[C@@H](CS(=O)(=O)NCC[C@@H]1CC1(F)F)C1CC1
342079312	ZINC000625302655	ref	4.88	-9.19	0	254.374	1.402	2	2	6	CCO[C@H](C(=O)N[C@H]1CCC[N@H+](CC)C1)C1CC1
178302544	ZINC000237203598	high	2.3	-13.76	0	366.27	1.046	1	4	4	CNCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1
342079313	ZINC000625302655	mid	7.1	-42.2	1	254.374	1.402	2	2	6	CCO[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)C1CC1
214190657	ZINC000337633914	ref	3.19	-46.22	1	285.388	0.287	3	3	7	C[C@@H](NC(=O)N(C)CCOCCO)C1=CC[N@H+](C)CC1
342079314	ZINC000625302655	high	4.88	-9.19	0	254.374	1.402	1	3	6	CCO[C@H](C(=O)N[C@H]1CCCN(CC)C1)C1CC1
178302548	ZINC000237222643	ref	5.41	-43.61	1	368.909	1.934	3	4	7	COc1cc(N)c(Cl)cc1C(=O)NCC1CC[NH+](CCN(C)C)CC1
342079315	ZINC000031986030	ref	6.17	-15.14	0	286.331	1.589	1	3	4	O=C(CN1C(=O)c2ccccc2C1=O)NCC1CCCC1
365636395	ZINC000336552215	ref	6.61	-11.94	0	291.376	2.077	0	5	1	Cc1csc2ncc(C(=O)N3[C@@H](C)CC[C@@H]3C)c(=O)n12
365636401	ZINC000336552638	ref	6.34	-34.51	1	275.392	2.399	2	2	2	COc1ccc2c(c1)CC[N@H+]([C@@H]1CCCC[C@H]1O)CC2
365636408	ZINC000336552638	mid	6.32	-34.57	1	275.392	2.399	2	2	2	COc1ccc2c(c1)CC[N@@H+]([C@@H]1CCCC[C@H]1O)CC2
365636415	ZINC000336552988	ref	8.59	-39.08	1	290.411	2.037	1	3	2	Cn1ccc(N2CCC[C@H]([NH+]3CCC(C)(C)CC3)C2=O)n1
230730097	ZINC000425451507	ref	6.43	-42.66	1	323.481	2.365	3	2	5	C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[C@H](C3CC3)C2)CCOCC1
230730100	ZINC000425452876	ref	3.4	-20.63	0	318.483	2.327	2	3	8	C[C@@H]1CCC[C@@H](CCNC(=O)NCCCCS(C)(=O)=O)C1
365636420	ZINC000336552988	mid	6.53	-11.49	0	290.411	2.037	0	4	2	Cn1ccc(N2CCC[C@H](N3CCC(C)(C)CC3)C2=O)n1
365636430	ZINC000336553725	ref	3.21	-4.59	0	265.328	2.114	1	3	3	OC1(CN2CCO[C@H](c3ccc(F)cc3)C2)CCC1
365636435	ZINC000336553725	mid	5.54	-38.01	1	265.328	2.114	2	2	3	OC1(C[N@@H+]2CCO[C@H](c3ccc(F)cc3)C2)CCC1
365636441	ZINC000336553725	mid	4.99	-38.19	1	265.328	2.114	2	2	3	OC1(C[N@H+]2CCO[C@H](c3ccc(F)cc3)C2)CCC1
365636446	ZINC000336553218	ref	4.51	-31.15	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2CO)s1
342596081	ZINC000616967866	ref	3.7	-19.38	0	298.346	1.053	2	4	4	CCc1c(C(=O)N[C@H]2CCNC2=O)cnn1-c1ccccc1
365636452	ZINC000336553218	mid	4.2	-34.16	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)s1
365636459	ZINC000336553218	high	2.59	-4.95	0	254.399	2.353	1	4	3	Cc1nc(C)c(CN2CCC[C@@H](C)[C@H]2CO)s1
230730123	ZINC000425455911	ref	7.25	-14.3	0	308.353	2.149	1	3	5	Cc1ccc(NC(=O)[C@@]2(C)C[C@@H]2F)c(OCC(=O)N(C)C)c1
230730126	ZINC000425453727	ref	3.85	-10.82	0	314.389	2.306	2	4	7	CC[C@@H](Cc1ccccc1)NC(=O)NCc1nccc(OC)n1
190493794	ZINC000269430180	ref	4.27	-13.86	0	298.364	1.505	1	6	5	CCOC(=O)c1csc(CNC(=O)[C@H]2CCCCO2)n1
365636465	ZINC000336552027	ref	7.11	-10.45	0	275.377	2.132	1	4	3	Cc1ccsc1CNC(=O)[C@H]1CCc2cncn2C1
365636471	ZINC000336552027	low	7.62	-38.74	1	275.377	2.132	1	3	3	Cc1ccsc1CNC(=O)[C@H]1CCc2c[nH+]cn2C1
178302525	ZINC000082802937	high	0.06	-10.3	0	289.379	0.01	2	4	3	O=C([C@H]1CNCc2ccccc21)N1CCN(CCO)CC1
365636477	ZINC000336552026	ref	7.11	-10.32	0	275.377	2.132	1	4	3	Cc1ccsc1CNC(=O)[C@@H]1CCc2cncn2C1
365636482	ZINC000336552026	low	7.62	-37.94	1	275.377	2.132	1	3	3	Cc1ccsc1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1
214186122	ZINC000337624685	ref	4.68	-9.17	0	278.352	2.441	2	4	8	COC[C@H](C)Nc1ccccc1NC(=O)CCC(C)=O
197593502	ZINC000290097184	ref	6.06	-4.79	0	296.411	1.729	1	3	6	C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@H](OC(C)C)C1(C)C
214186126	ZINC000337625378	ref	2.16	-13.48	0	280.328	0.292	1	5	2	Cn1cc([C@H]2CN(C(=O)N[C@@H]3CCOC3)CCO2)cn1
299072225	ZINC000459275481	high	7.93	-5.76	0	321.44	2.943	1	2	7	CC(C)[C@@H]1C[C@H]1NC(=O)N(CCN(C)C)Cc1ccccc1F
214186130	ZINC000337625556	ref	-0.68	-10.55	0	280.309	0.834	3	5	5	NC(=O)c1cc(CNC(=O)NCc2cccs2)on1
214186135	ZINC000337627696	ref	-1.44	-12.11	0	261.322	-0.525	3	4	10	CCCNC(=O)CNC(=O)NCCOCCOC
214186137	ZINC000337626585	ref	-1.09	-17.36	0	264.347	-0.102	2	4	5	C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@@H]1CCOC1
342596082	ZINC000616967791	ref	3.38	-17.8	0	276.336	1.077	2	3	5	Cc1cccc(C)c1OCCC(=O)N[C@@H]1CCNC1=O
342596083	ZINC000616967894	ref	3.88	-16.73	0	258.321	1.111	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCc2ccccc21
214186140	ZINC000337625100	ref	7.61	-17.95	0	288.391	2.263	2	2	6	CCNC(=O)CC(=O)N[C@]1(c2cccc(C)c2)C[C@@H]1CC
214186144	ZINC000337625625	ref	0.27	-10.75	0	286.294	0.336	1	4	8	C[C@@H](C(=O)N(C)CCOCCO)N(C)CC(F)(F)F
214186147	ZINC000337627346	ref	3.01	-21.33	0	277.328	0.554	1	5	4	COCCn1ccc(=NC(=O)c2c(C)nn(C)c2C)[nH]1
214186151	ZINC000337624327	ref	1.86	-10.42	0	271.361	0.408	2	3	4	C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@H](C)C(=O)N(C)C
349534918	ZINC000602431162	mid	7.07	-33.08	1	241.331	1.44	1	3	5	COC(=O)[C@@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1
214186154	ZINC000337626021	ref	-0.08	-8.29	0	264.391	0.826	3	4	10	CCSCCCNC(=O)N[C@H](CCO)COC
214186157	ZINC000337624410	ref	5.34	-9.4	0	272.27	2.465	2	1	5	O=C(NCCc1ccccc1F)NC1(C(F)F)CC1
349534921	ZINC000602430914	ref	1.64	-50.61	1	246.376	0.403	2	2	5	CCCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1
349534924	ZINC000602430153	ref	10.79	-43.21	1	247.346	1.682	1	4	6	C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1Cn1cncn1
214186159	ZINC000337625298	ref	3.68	-8.74	0	259.415	2.043	2	3	6	CSCC(C)(C)C(=O)N[C@H]1CCC[C@@H]1CCO
214186163	ZINC000337625432	ref	5.83	-7.89	0	268.401	2.369	2	2	7	CCCN(CC(C)(C)O)C(=O)NCC1(C2CC2)CC1
214186167	ZINC000337627213	ref	7.66	-7.47	0	259.231	2.413	2	2	3	O=C(Nc1nc(C(F)(F)F)c[nH]1)[C@H]1C[C@@H]1C1CC1
342596084	ZINC000616968268	ref	3.09	-15.87	0	285.303	1.268	2	4	3	Cc1ccc(-c2cc(C(=O)N[C@H]3CCNC3=O)on2)cc1
214186171	ZINC000337627213	mid	7.58	-6.45	0	259.231	2.413	2	2	3	O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@H]1C[C@@H]1C1CC1
214186123	ZINC000278486866	ref	9.06	-26.46	0	314.345	1.197	0	5	3	C[C@H]1Oc2ccccc2N(CC(=O)N(C)c2nccn2C)C1=O
197593507	ZINC000290097181	ref	6.43	-5.76	0	296.411	1.729	1	3	6	C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@@H](OC(C)C)C1(C)C
185088976	ZINC000096076031	low	5.5	-42.1	1	295.408	1.275	1	4	4	COCC(=O)N1CC[C@@]2(CC[N@H+]2Cc2csc(C)n2)C1
214186129	ZINC000278487049	ref	4.12	-57.82	-1	309.391	2.155	0	5	4	COc1cc(C)cc([N-]S(=O)(=O)c2cn(C)c(C)n2)c1C
343993991	ZINC000599270746	ref	3.86	-9.08	0	257.337	1.577	1	3	3	CNC(=O)[C@@H]1CCCN1Cc1ccc(C)c(C#N)c1
398249471	ZINC000390800190	high	4.58	-6.5	0	237.372	2.33	1	4	3	Cc1nccnc1[C@H](C)N[C@H]1CCS[C@H]1C
282122728	ZINC000363877365	ref	8.42	-54.02	1	331.416	1.355	1	3	4	C[NH+](C)C[C@@H]1CN(C(=O)CN2CCCCC2=O)c2ccccc2O1
342079316	ZINC000623714639	ref	4.02	-19.56	0	299.334	1.12	2	5	4	C[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)[C@@H]1CCC(=O)N1
214186133	ZINC000278488292	ref	11.46	-22.74	0	323.396	3.348	0	4	4	COc1ccc2cc([C@H](C)C(=O)N(C)c3nccn3C)ccc2c1
282122746	ZINC000363877365	high	5.9	-16.01	0	331.416	1.355	0	4	4	CN(C)C[C@@H]1CN(C(=O)CN2CCCCC2=O)c2ccccc2O1
214186138	ZINC000278488900	ref	6.49	-5.45	0	308.223	2.857	0	3	5	CN(CCc1ccccc1)Cc1c(Br)cnn1C
282122760	ZINC000360900115	ref	3.03	-25.85	0	340.445	1.167	0	5	6	CN(C)C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)c2ccccc2O1
214186142	ZINC000278488900	low	8.88	-43.78	1	308.223	2.857	1	2	5	Cn1ncc(Br)c1C[N@H+](C)CCc1ccccc1
342079317	ZINC000625301559	ref	4.82	-9.71	0	275.414	1.767	1	3	8	CCO[C@@H](CS(=O)(=O)NCC1CC(C)C1)C1CC1
342079318	ZINC000625301211	ref	2.28	-14.85	0	299.327	1.344	2	4	5	COc1ccc(S(=O)(=O)NCc2c[nH]cn2)c(C)c1F
214186145	ZINC000278488900	low	8.81	-44.04	1	308.223	2.857	1	2	5	Cn1ncc(Br)c1C[N@@H+](C)CCc1ccccc1
214186148	ZINC000278488839	ref	3.6	-6.61	0	315.24	2.314	0	5	5	CN(CCc1nccs1)Cc1c(Br)cnn1C
197593519	ZINC000290097391	ref	6.56	-14.9	0	275.352	2.194	2	3	3	C[C@@H]1CCN(C(=O)Nc2cc(C3CC3)ccn2)[C@@H]1CO
214186150	ZINC000278488839	low	6.0	-43.18	1	315.24	2.314	1	4	5	Cn1ncc(Br)c1C[N@H+](C)CCc1nccs1
185088980	ZINC000096077352	ref	8.15	-13.98	0	299.399	2.777	0	4	2	O=C1C[C@]2(CCN(c3nccs3)C2)CN1c1ccccc1
342079319	ZINC000625301211	mid	2.8	-46.44	1	299.327	1.344	2	4	5	COc1ccc(S(=O)(=O)NCc2cnc[nH]2)c(C)c1F
342079320	ZINC000625301211	low	2.78	-46.47	1	299.327	1.344	2	3	5	COc1ccc(S(=O)(=O)NCc2c[nH+]c[nH]2)c(C)c1F
365636396	ZINC000354709045	ref	8.45	-37.68	1	250.386	1.975	1	1	2	C[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@H]1[NH+](C)C
365636403	ZINC000354708280	ref	4.56	-8.27	0	287.425	1.689	1	4	7	O=C(NCCCOC[C@@H]1CCOC1)[C@H]1CCCSC1
342079321	ZINC000625301211	low	2.78	-46.47	1	299.327	1.344	2	3	5	COc1ccc(S(=O)(=O)NCc2c[nH]c[nH+]2)c(C)c1F
306234678	ZINC000557904005	ref	7.94	-7.93	0	338.383	1.244	0	6	5	CCOC(=O)C(C)(C)CC(=O)N1CCN(c2ncc(F)cn2)CC1
365636410	ZINC000354709410	ref	6.86	-42.87	1	288.395	1.456	1	3	2	C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1N(C)C
230730110	ZINC000414304056	ref	6.92	-31.71	1	301.496	3.147	1	2	3	CC(C)(C)[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O
214186152	ZINC000278488839	low	5.94	-43.62	1	315.24	2.314	1	4	5	Cn1ncc(Br)c1C[N@@H+](C)CCc1nccs1
306234679	ZINC000557918835	ref	4.6	-57.02	1	345.509	1.231	3	3	5	C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCS(=O)(=O)C2)CC1
365636417	ZINC000354709410	mid	4.7	-9.19	0	288.395	1.456	1	3	2	C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cccnc1N(C)C
342088364	ZINC000121460120	low	7.75	-39.61	1	279.29	1.6	1	2	5	Cn1c[nH+]cc1CCNC(=O)Cc1c(F)cccc1F
342088365	ZINC000121401554	ref	6.15	-47.98	1	292.423	1.982	2	2	5	O=C(CC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)NC1CCCC1
342088366	ZINC000121396487	ref	7.33	-16.76	0	267.373	1.53	1	4	8	CC(C)CCO[C@H](C)C(=O)NCCc1cncn1C
365636424	ZINC000354709410	high	4.7	-9.19	0	288.395	1.456	0	4	2	C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cccnc1N(C)C
365636432	ZINC000354709594	ref	4.96	-8.15	0	284.363	1.379	2	3	6	C[NH+](C)[C@H](CNC(=O)c1cncnc1)Cc1ccccc1
398249282	ZINC000651463700	ref	8.17	-44.74	1	281.346	3.355	1	1	5	CO[C@H](C1CC1)[C@H](C)[NH2+][C@@H]1CCc2c(F)cc(F)cc21
299072226	ZINC000341712665	ref	9.4	-15.33	0	349.385	2.966	1	4	4	C[C@H](NC(=O)N(C)[C@@H](C)c1c(F)cccc1F)c1nnc2n1CCC2
398249285	ZINC000651463700	high	7.24	-2.52	0	281.346	3.355	1	2	5	CO[C@H](C1CC1)[C@H](C)N[C@@H]1CCc2c(F)cc(F)cc21
199273058	ZINC000181265631	high	4.94	-49.16	1	315.421	1.175	3	3	3	C[NH+]1CCC(N2CCC(NC(=O)c3c[nH]c(C#N)c3)CC2)CC1
299072242	ZINC000266475932	ref	7.23	-12.23	0	304.369	3.023	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cnn(C)c1
342088367	ZINC000121396487	low	7.84	-41.26	1	267.373	1.53	1	3	8	CC(C)CCO[C@H](C)C(=O)NCCc1c[nH+]cn1C
342088368	ZINC000121374182	ref	6.75	-70.13	0	290.279	1.006	1	6	5	Cn1cncc1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1
214186156	ZINC000278489085	ref	8.9	-12.61	0	302.403	2.718	1	5	3	Cc1ccnc(-n2nc(C)cc2NC(=O)[C@@H]2CCCS2)c1
349534919	ZINC000618812562	ref	4.16	-25.36	0	260.297	1.096	0	5	4	COc1cccc(C(=O)N(C)Cc2cn(C)nn2)c1
197593520	ZINC000162814335	ref	6.16	-20.06	0	321.402	2.157	1	5	3	CC1=C(C(=O)N2CCC[C@@H]2C(=O)Nc2nccs2)CCCO1
214186161	ZINC000278488558	ref	2.91	-15.91	0	309.391	1.67	2	3	5	NC(=O)N1CCc2ccc(NS(=O)(=O)CCC3CC3)cc21
214186165	ZINC000278487113	ref	4.45	-5.71	0	319.283	2.972	2	5	4	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCC[C@@H]1O
299072227	ZINC000358088569	ref	0.51	-15.71	0	320.37	1.408	2	5	5	Cc1ccncc1C(=O)Nc1ccc(S(=O)(=O)CCO)cc1
306234680	ZINC000557910585	ref	4.42	-25.83	0	342.193	1.418	1	4	3	CN(C)C(=O)[C@H]1CC[C@@H](C(=O)Nc2cncc(Br)c2)O1
214186169	ZINC000278487069	ref	3.74	-44.28	-1	309.391	2.329	0	5	5	CCn1nccc1S(=O)(=O)[N-]c1cc(C)cc(OC)c1C
323004600	ZINC000566538130	ref	6.57	-38.95	1	239.359	1.914	1	2	2	C[C@H]1C[C@H]1C[N@@H+]1CCOC2(CCOCC2)CC1
214186173	ZINC000278487069	low	3.41	-9.57	0	309.391	2.329	1	5	5	CCn1nccc1S(=O)(=O)Nc1cc(C)cc(OC)c1C
342079322	ZINC000039303859	ref	5.2	-17.78	0	298.242	1.864	0	4	3	CN(C)S(=O)(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
214186181	ZINC000278488369	ref	7.95	-10.35	0	302.374	3.019	0	4	7	COC(C)(C)CC(=O)N(Cc1cccnc1)Cc1ccco1
214186186	ZINC000278488623	ref	3.25	-8.13	0	313.825	2.499	1	4	8	COC[C@H](C)OC[C@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1
214186192	ZINC000278488623	mid	5.51	-41.6	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1
214186194	ZINC000278488623	mid	6.04	-43.16	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1
214186198	ZINC000278488922	ref	3.89	-7.59	0	324.226	2.253	0	5	3	Cn1cc([C@H]2CCCN2Cc2c(Br)cnn2C)cn1
342079323	ZINC000625304635	ref	5.39	-13.74	0	286.335	1.511	1	5	2	CCc1nnc2n1CCN(C(=O)c1c(C)cccc1O)C2
342079324	ZINC000625304635	high	6.17	-51.72	-1	286.335	1.511	0	5	2	CCc1nnc2n1CCN(C(=O)c1c(C)cccc1[O-])C2
342079325	ZINC000625303443	ref	4.53	-14.19	0	290.342	1.564	1	4	4	COc1cc2c(cc1F)C[N@H+](CCc1cn(C)nn1)CC2
342079326	ZINC000625303443	mid	7.09	-51.83	1	290.342	1.564	1	4	4	COc1cc2c(cc1F)C[N@@H+](CCc1cn(C)nn1)CC2
342079327	ZINC000625303443	mid	4.53	-14.19	0	290.342	1.564	0	5	4	COc1cc2c(cc1F)CN(CCc1cn(C)nn1)CC2
343993993	ZINC000599270746	mid	6.18	-42.5	1	257.337	1.577	2	2	3	CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1
343993994	ZINC000599270746	mid	6.72	-41.72	1	257.337	1.577	2	2	3	CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1
342079328	ZINC000608863850	ref	4.45	-7.25	0	267.329	1.405	0	6	7	CCc1noc(CN(C[C@H](C)C(=O)OC)C2CC2)n1
230730124	ZINC000450404581	ref	6.18	-14.58	0	310.438	1.811	1	3	4	C[C@H]1C[C@@H](C(=O)NC[C@@H]2CC[C@@H](C(=O)N(C)C)O2)CC[C@H]1C
365636399	ZINC000641603884	ref	3.06	-12.15	0	284.315	1.857	1	4	2	Cc1ccc(-c2ocnc2C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
342079329	ZINC000608863850	low	5.78	-41.61	1	267.329	1.405	1	5	7	CCc1noc(C[N@H+](C[C@H](C)C(=O)OC)C2CC2)n1
365636407	ZINC000641603507	ref	1.47	-5.78	0	290.161	1.506	1	5	6	CC[C@@H](CNc1nc(OC)ncc1Br)OC
365639247	ZINC000274367545	ref	4.53	-11.86	0	272.304	1.229	1	3	2	CC(=O)NCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32
299072228	ZINC000567660167	ref	5.4	-12.86	0	264.373	2.275	1	4	3	CC(C)n1cc(N[C@@H]2CCN(C(C)(C)C)C2=O)cn1
230730136	ZINC000450403177	ref	10.43	-35.57	1	317.462	1.575	2	5	4	CNc1nc(N2C[C@H](SC)[C@H]([NH+](C)C)C2)nc2ccccc12
230730139	ZINC000450403177	high	8.51	-9.82	0	317.462	1.575	1	6	4	CNc1nc(N2C[C@H](SC)[C@H](N(C)C)C2)nc2ccccc12
365639255	ZINC000274371367	ref	7.13	-35.94	1	278.331	1.779	2	2	1	C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(F)n3)[C@H]2C1
365639259	ZINC000274371367	mid	7.32	-45.67	1	278.331	1.779	2	2	1	C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cccc(F)n3)[C@H]2C1
365639264	ZINC000274371367	high	4.61	-16.96	0	278.331	1.779	1	3	1	CN1CC[C@H]2CCN(C(=O)Nc3cccc(F)n3)[C@H]2C1
299072232	ZINC000567665235	ref	5.27	-40.13	1	260.337	2.092	2	2	2	C[C@@]1(C(=O)Nc2cccc3c2OCCC3)CCC[NH2+]1
178302557	ZINC000082802916	ref	7.4	-49.53	1	280.371	2.232	2	1	4	O=C(NCCc1ccccc1)[C@H]1C[NH2+]Cc2ccccc21
178302559	ZINC000082802916	high	5.88	-10.11	0	280.371	2.232	2	2	4	O=C(NCCc1ccccc1)[C@H]1CNCc2ccccc21
178302561	ZINC000082802908	ref	4.57	-53.86	1	273.38	1.037	1	2	2	CCN1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1
342079330	ZINC000608863850	low	6.24	-41.53	1	267.329	1.405	1	5	7	CCc1noc(C[N@@H+](C[C@H](C)C(=O)OC)C2CC2)n1
178302563	ZINC000082802908	mid	6.91	-110.58	2	273.38	1.037	2	1	2	CC[NH+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1
365639270	ZINC000274367783	ref	3.47	-13.28	0	286.238	1.112	0	7	5	Cn1nccc1COC(=O)c1cc(OC(F)F)n(C)n1
349534920	ZINC000594969591	ref	6.57	-51.91	1	250.367	2.524	1	3	6	COC1CC(CC[NH2+]Cc2cc(C#N)cs2)C1
349534922	ZINC000093274565	ref	-0.48	-9.98	0	276.344	0.727	1	6	4	Cc1nc(CN2CCN(Cc3c[nH]nc3C)CC2)no1
197593526	ZINC000290094389	ref	5.21	-16.98	0	290.367	0.606	1	3	6	CN(C)C(=O)CN(CCN1CCNC1=O)c1ccccc1
214186168	ZINC000293592089	ref	-0.29	-15.32	0	356.444	0.316	3	5	6	Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N[C@@H]2CCO[C@@H]2C)[C@H](C)O)cc1
185088983	ZINC000096078232	ref	6.5	-42.45	1	261.369	1.63	1	3	1	C[NH+]1CCC2(CC1)COCCN(c1cccnc1)C2
342079331	ZINC000625303823	ref	6.98	-48.95	1	299.382	1.387	1	6	6	CC(C)[C@H]([NH2+]CCc1cn(C)nn1)c1nnc2ccccn12
214186176	ZINC000293596545	ref	6.96	-19.44	0	352.42	0.58	1	7	4	Cn1cnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1
214186179	ZINC000293590569	ref	3.85	-53.34	1	353.444	0.778	2	4	6	CCN1C(=O)c2ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc2S1(=O)=O
214186183	ZINC000293590386	ref	0.49	-11.58	0	362.43	0.43	2	5	5	C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[C@@H](C)N1C
214186189	ZINC000293590386	mid	2.7	-41.39	1	362.43	0.43	3	4	5	C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[C@@H](C)[N@@H+]1C
214186193	ZINC000293590386	mid	2.31	-41.73	1	362.43	0.43	3	4	5	C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)C[C@@H](C)[N@H+]1C
214186197	ZINC000293600332	ref	2.93	-17.89	0	355.394	0.864	2	4	2	CO[C@@H]1[C@@H]2C[C@H]3[C@@H](C2)CN(C(=O)c2ccc4c(c2)NC(=O)CNC4=O)[C@H]31
342079332	ZINC000625303823	high	6.18	-18.79	0	299.382	1.387	1	7	6	CC(C)[C@H](NCCc1cn(C)nn1)c1nnc2ccccn12
342079333	ZINC000625303727	ref	2.92	-11.02	0	276.296	1.184	0	6	4	COc1nc(C(=O)N2CCC[C@@H]2Cn2cccn2)co1
128584948	ZINC000336811509	ref	5.41	-8.77	0	267.413	2.728	2	2	7	CC(C)(CCO)CNC(=O)C(C1CCC1)C1CCC1
342079334	ZINC000625303458	ref	1.76	-7.87	0	262.313	1.941	1	6	5	COc1cncc(CN[C@H](C)c2c(C)noc2C)n1
342079335	ZINC000625303458	low	2.37	-49.67	1	262.313	1.941	1	5	5	COc1cncc(C[NH2+][C@H](C)c2c(C)noc2C)n1
342079336	ZINC000625303824	ref	7.0	-54.97	1	299.382	1.387	1	6	6	CC(C)[C@@H]([NH2+]CCc1cn(C)nn1)c1nnc2ccccn12
342079337	ZINC000625303824	high	6.12	-19.22	0	299.382	1.387	1	7	6	CC(C)[C@@H](NCCc1cn(C)nn1)c1nnc2ccccn12
342079338	ZINC000625303558	ref	5.97	-38.53	1	296.333	1.802	1	2	9	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](COC)C1CC1
342079339	ZINC000625303558	high	5.61	-9.62	0	296.333	1.802	1	3	9	CCCN(CC(F)(F)F)C(=O)CN[C@@H](COC)C1CC1
365636431	ZINC000617434867	ref	1.83	-27.28	0	291.336	0.874	2	6	3	C[C@@H]1C[C@@H](NC(=O)c2cc(C(N)=O)cs2)c2ncnn21
398249283	ZINC000650875322	ref	4.6	-13.39	0	298.427	1.994	2	3	5	COC[C@@H]1C[C@@H](O)CN1C(=O)NCC[C@H]1CCCC[C@H]1C
365636437	ZINC000617434607	ref	4.84	-26.02	0	260.301	0.605	1	6	3	Cc1cnn(CC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1
365636444	ZINC000617434296	ref	6.32	-22.32	0	291.355	0.801	1	5	2	CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1C[C@H](C)n2ncnc21
178302556	ZINC000004057636	ref	5.86	-55.66	1	217.316	2.31	1	2	3	Cc1cc2nc(C)n(CCC[NH3+])c2cc1C
365636451	ZINC000617433583	ref	4.53	-23.26	0	278.234	0.979	1	5	4	C[C@@H]1C[C@H](NC(=O)COCC(F)(F)F)c2ncnn21
230730134	ZINC000414303060	ref	3.2	-12.68	0	316.835	3.121	1	5	4	Cc1c(Cl)cncc1NCc1ccc(S(C)(=O)=O)s1
178302562	ZINC000004057636	mid	6.29	-93.45	2	217.316	2.31	1	1	3	Cc1cc2[nH+]c(C)n(CCC[NH3+])c2cc1C
365636458	ZINC000617432920	ref	4.37	-18.31	0	272.312	0.926	2	5	2	C[C@@H]1C[C@H](NC(=O)c2n[nH]c3c2CCC3)c2ncnn21
365636464	ZINC000617432920	mid	4.43	-18.42	0	272.312	0.926	2	5	2	C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2CCC3)c2ncnn21
365636472	ZINC000617431813	ref	3.86	-17.42	0	260.301	0.999	2	5	3	CCc1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)[nH]n1
398249286	ZINC000650875326	ref	4.59	-10.69	0	298.427	1.994	2	3	5	COC[C@H]1C[C@@H](O)CN1C(=O)NCC[C@H]1CCCC[C@H]1C
398249289	ZINC000650870861	ref	4.89	-12.16	0	274.311	1.854	1	2	2	C[C@@]1(CNC(=O)N2CC[C@@]3(C2)CC3(F)F)CCOC1
398249292	ZINC000650875323	ref	4.59	-10.68	0	298.427	1.994	2	3	5	COC[C@H]1C[C@@H](O)CN1C(=O)NCC[C@@H]1CCCC[C@@H]1C
214186174	ZINC000337625010	ref	7.53	-9.4	0	273.38	2.196	1	3	6	C[C@H](C1CC1)N(C)C(=O)c1ccc(NCC2CC2)nc1
365636479	ZINC000617433741	ref	5.77	-19.53	0	250.302	0.825	1	5	4	CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365636486	ZINC000617433375	ref	4.26	-17.71	0	294.355	0.986	1	6	6	C[C@@H]1C[C@H](NC(=O)CCOC[C@@H]2CCCO2)c2ncnn21
365636497	ZINC000617435116	ref	5.44	-20.14	0	250.302	0.993	1	5	6	C=CCCOCC(=O)N[C@H]1C[C@H](C)n2ncnc21
398249294	ZINC000650870843	ref	1.73	-10.08	0	296.342	1.32	3	3	6	O=C(NC[C@H]1OCCc2ccccc21)N[C@@H](CO)CCF
178302587	ZINC000096317134	ref	7.05	-13.56	0	248.351	3.508	1	3	2	Cc1cc2nc(NC(=O)C(C)C)sc2cc1C
128584952	ZINC000336811552	ref	6.76	-5.74	0	265.397	2.935	1	3	8	CC(C)CN(C[C@@H](O)COC(C)C)c1ccccc1
365636505	ZINC000617431604	ref	5.19	-22.72	0	274.328	0.914	1	6	3	Cc1cc(C)n(CC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)n1
214186178	ZINC000337626856	ref	6.81	-12.62	0	290.363	3.092	2	3	3	COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@@H]2C)ccc1C
342596085	ZINC000616967865	ref	3.7	-19.1	0	298.346	1.053	2	4	4	CCc1c(C(=O)N[C@@H]2CCNC2=O)cnn1-c1ccccc1
282122729	ZINC000449154434	high	3.06	-5.54	0	269.41	2.206	2	4	7	COc1cc(C)ccc1CN[C@H](C)[C@H](CO)SC
342596086	ZINC000197115892	ref	7.75	-14.55	0	299.459	1.681	0	3	10	CCN(CC)C(=O)CN(CC(=O)N(CC)CC)CC(C)C
197593541	ZINC000290097337	ref	7.73	-45.69	1	292.81	2.613	1	1	2	CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCc2c(Cl)cccc2C1
214186182	ZINC000337627061	ref	8.63	-9.73	0	276.343	2.274	1	4	3	c1ccc2c(c1)CC(CNc1ncnc3ccncc13)C2
214186185	ZINC000337627910	ref	9.85	-42.38	1	299.393	3.379	1	2	4	Cc1cnc(C[NH+]2CCC(Cc3ccc(F)cc3)CC2)cn1
214186187	ZINC000337627910	mid	6.94	-6.62	0	299.393	3.379	0	3	4	Cc1cnc(CN2CCC(Cc3ccc(F)cc3)CC2)cn1
299072229	ZINC000354601801	mid	6.01	-40.81	-1	327.396	0.163	4	6	3	Cn1cc(C[N@H+]2CCCN(c3nc4[nH][nH]cc-4c(=N)n3)CC2)cn1
136229257	ZINC000292805304	ref	6.96	-4.36	0	219.275	2.701	0	1	5	C=CCC(F)(F)C(=O)N(C)[C@@H](C)C(C)C
342596087	ZINC000197115892	mid	9.12	-43.28	1	299.459	1.681	1	2	10	CCN(CC)C(=O)C[NH+](CC(=O)N(CC)CC)CC(C)C
214186195	ZINC000337628038	ref	5.74	-20.5	0	272.308	0.645	1	4	4	CN(C)C(=O)Cn1ccc(NC(=O)c2ccccc2)n1
299072231	ZINC000354601801	mid	6.16	-23.02	0	327.396	0.163	3	7	3	Cn1cc(CN2CCCN(c3nc4[nH][nH]cc-4c(=N)n3)CC2)cn1
214186202	ZINC000337625116	ref	7.01	-11.27	0	298.321	2.465	1	5	5	C[C@@H](CNc1ncnc2ccncc12)Oc1ccccc1F
342596088	ZINC000616967736	ref	3.24	-16.06	0	262.353	1.063	2	2	2	O=C(N[C@@H]1CCNC1=O)C1C2CC3CC(C2)CC1C3
342596089	ZINC000616967813	ref	4.48	-18.8	0	283.331	1.155	2	3	4	O=C(N[C@@H]1CCNC1=O)c1cccn1Cc1ccccc1
365636434	ZINC000274362500	ref	5.69	-83.75	2	261.369	1.549	1	2	3	Cc1cc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc[nH+]1
365636439	ZINC000274362500	mid	3.34	-31.79	1	261.369	1.549	0	3	3	Cc1cc(N2CC[C@@H](CN3CCOCC3)C2)cc[nH+]1
214186206	ZINC000337625833	ref	3.86	-41.52	-1	286.266	2.186	1	3	2	Cc1ccc(-c2cc(=NC(=O)c3ccc(F)cn3)[nH][n-]2)o1
214186209	ZINC000337625833	mid	3.98	-13.34	0	286.266	2.186	2	3	2	Cc1ccc(-c2cc(=NC(=O)c3ccc(F)cn3)[nH][nH]2)o1
168366111	ZINC000041053720	mid	-0.76	-38.65	1	171.288	-0.03	1	2	2	C[C@@H]([NH3+])[C@@H](C)N1CCN(C)CC1
282122730	ZINC000533469825	ref	3.6	-8.66	0	296.411	1.89	2	3	2	C[C@H](O)[C@H]1CCCN(C(=O)N[C@H]2CCOC3(CCC3)C2)C1
178302553	ZINC000237222643	mid	5.41	-43.61	1	368.909	1.934	3	4	7	COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CC[NH+](C)C)CC1
282122737	ZINC000533470898	ref	1.75	-8.5	0	258.362	1.214	2	3	4	COC(C)(C)CNC(=O)N1CCC[C@@H]([C@@H](C)O)C1
178302555	ZINC000237218838	ref	6.55	-60.77	-1	367.449	1.99	2	4	6	C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)CC1
282122741	ZINC000533470523	ref	3.17	-14.58	0	294.399	1.452	3	3	4	Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H]([C@H](C)O)C2)[nH]n1
282122744	ZINC000533470523	mid	3.59	-11.3	0	294.399	1.452	3	3	4	Cc1cc(C[C@H](C)NC(=O)N2CCC[C@@H]([C@H](C)O)C2)n[nH]1
282122751	ZINC000533470899	ref	1.9	-8.28	0	258.362	1.214	2	3	4	COC(C)(C)CNC(=O)N1CCC[C@H]([C@@H](C)O)C1
178302558	ZINC000237218838	mid	6.55	-60.77	-1	367.449	1.99	1	5	6	CN1CCN(Cc2cccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)c2)CC1
349534923	ZINC000618813127	ref	5.35	-19.74	0	273.34	1.362	0	5	5	C[C@H](CC(=O)N(C)Cc1cn(C)nn1)c1cccnc1
365636438	ZINC000623069301	ref	3.69	-8.53	0	315.377	1.25	2	6	5	COCc1nc(C(=O)NCc2cccc3c2CCCN3)n(C)n1
365636448	ZINC000623069019	ref	1.53	-48.58	1	304.213	1.763	2	3	3	[NH3+]C[C@@H]1CC[C@@H](NC(=O)c2ncc(Br)s2)C1
398249287	ZINC000651463550	ref	5.71	-43.97	1	277.408	3.082	2	2	8	COc1cccc([C@@H]2C[C@@H]([NH2+][C@@H](C)CCCCO)C2)c1
282122756	ZINC000533470015	ref	2.02	-9.41	0	286.416	1.586	3	3	5	C[C@H](O)CC(C)(C)CNC(=O)N1CCC[C@H]([C@H](C)O)C1
342596090	ZINC000616967896	ref	3.88	-16.91	0	258.321	1.111	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@H]1CCCc2ccccc21
398249290	ZINC000651463424	ref	3.62	-8.87	0	286.709	3.16	2	3	5	OC[C@H](CCF)Nc1ccnc2cc(F)c(Cl)cc12
230744890	ZINC000450490001	ref	5.08	-8.92	0	312.316	1.51	1	4	5	CCC(=O)CNC(=O)c1cc(F)c(N2CCOCC2)c(F)c1
398249295	ZINC000651463424	low	4.06	-39.06	1	286.709	3.16	2	2	5	OC[C@H](CCF)Nc1cc[nH+]c2cc(F)c(Cl)cc12
398249472	ZINC000649445699	ref	6.48	-6.85	0	207.298	3.475	0	3	4	CCCCOc1ccc2cnsc2c1
282122764	ZINC000533471153	ref	5.36	-39.58	1	297.443	1.521	3	2	5	C[C@H](O)[C@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)C1
342596091	ZINC000616968073	ref	4.72	-16.07	0	272.348	1.503	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccccc2)CCCC1
342596092	ZINC000616968270	ref	2.94	-17.71	0	276.336	1.077	2	3	5	Cc1ccc(OCCC(=O)N[C@H]2CCNC2=O)cc1C
342596093	ZINC000616968718	ref	2.45	-22.43	0	272.226	1.324	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccccc1C(F)(F)F
342596094	ZINC000616968269	ref	2.94	-17.7	0	276.336	1.077	2	3	5	Cc1ccc(OCCC(=O)N[C@@H]2CCNC2=O)cc1C
342596095	ZINC000616967907	ref	1.59	-15.74	0	277.305	1.021	2	5	3	O=C(N[C@@H]1CCNC1=O)c1cc(-c2cccs2)on1
342596096	ZINC000616968461	ref	1.07	-18.2	0	289.154	1.129	2	3	2	O=C(N[C@H]1CCNC1=O)c1csc(Br)c1
214186184	ZINC000053498499	low	9.73	-118.97	2	327.31	4.048	2	0	7	CCC(C)(C)[NH2+]C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1
214186188	ZINC000053498499	low	9.69	-116.45	2	327.31	4.048	2	0	7	CCC(C)(C)[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1
214186190	ZINC000053512862	ref	3.01	-18.39	0	341.433	0.525	1	4	5	COc1ccc(CCNC(=O)N2CCN(S(C)(=O)=O)CC2)cc1
365636440	ZINC000354709594	high	4.96	-8.15	0	284.363	1.379	1	4	6	CN(C)[C@H](CNC(=O)c1cncnc1)Cc1ccccc1
214186196	ZINC000053503881	ref	5.84	-11.17	0	329.4	2.51	2	4	6	CC(C)(C)CC(=O)NCC(=O)NCc1cc(-c2ccccc2)no1
342596097	ZINC000616967732	ref	3.77	-18.34	0	278.739	1.376	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CC1
342596098	ZINC000616967876	ref	1.08	-17.88	0	291.332	1.33	2	5	3	Cc1sc(-c2ccco2)nc1C(=O)N[C@H]1CCNC1=O
214186203	ZINC000053508714	ref	8.64	-10.84	0	331.441	2.596	0	5	3	O=C(CSc1ncc2ccccn12)N1CCO[C@H]2CCCC[C@@H]21
214186207	ZINC000053508714	low	9.12	-36.41	1	331.441	2.596	0	4	3	O=C(CSc1[nH+]cc2ccccn12)N1CCO[C@H]2CCCC[C@@H]21
214186210	ZINC000053506757	ref	6.74	-13.14	0	345.468	3.364	1	4	3	O=C(NC[C@@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1
214186216	ZINC000053493800	ref	5.49	-15.61	0	332.448	1.81	2	3	7	CCN(CCCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1
214186220	ZINC000053493800	low	5.59	-47.12	1	332.448	1.81	3	2	7	CC[N@H+](CCCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1
214186222	ZINC000053493800	low	5.57	-46.28	1	332.448	1.81	3	2	7	CC[N@@H+](CCCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1
342596099	ZINC000616967867	ref	2.96	-16.33	0	275.352	1.517	3	3	6	CCCCNc1ccccc1C(=O)N[C@@H]1CCNC1=O
214186225	ZINC000053517815	ref	5.67	-17.6	0	326.4	1.825	2	3	6	CNC(=O)c1ccc(CN(C)C(=O)NCCc2ccccn2)cc1
214186231	ZINC000053496911	ref	7.42	-40.25	1	339.199	3.421	2	1	6	C[C@@H](CNCC(F)(F)F)[N@H+](C)Cc1cccc(Br)c1
214186235	ZINC000053496911	mid	7.44	-39.67	1	339.199	3.421	2	1	6	C[C@@H](CNCC(F)(F)F)[N@@H+](C)Cc1cccc(Br)c1
342596100	ZINC000616968531	ref	2.02	-18.31	0	257.293	1.095	3	2	2	Cc1ccc2cc(C(=O)N[C@H]3CCNC3=O)[nH]c2c1
230730153	ZINC000414302956	ref	6.4	-56.26	1	318.367	3.177	2	2	7	OC[C@H](C[NH2+][C@H](c1cncc(F)c1)C1CC1)c1ccc(F)cc1
230730155	ZINC000414302956	high	5.29	-7.64	0	318.367	3.177	2	3	7	OC[C@H](CN[C@H](c1cncc(F)c1)C1CC1)c1ccc(F)cc1
214186200	ZINC000278488922	low	6.95	-37.99	1	324.226	2.253	1	4	3	Cn1cc([C@H]2CCC[N@@H+]2Cc2c(Br)cnn2C)cn1
365636445	ZINC000274360559	ref	6.29	-37.94	1	290.363	1.687	1	3	8	CCOCC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O
365636453	ZINC000274363403	ref	2.46	-19.21	0	296.758	1.923	3	2	2	Cc1cccc(Cl)c1NC(=O)N1CC[C@H](NC(N)=O)C1
365636461	ZINC000274362269	ref	1.31	-7.34	0	278.283	1.963	0	5	1	Fc1ccc2oc(N3CCO[C@@]4(CCOC4)C3)nc2c1
365636469	ZINC000274361271	ref	4.24	-48.85	1	273.336	1.803	2	3	6	Cc1ccccc1C[C@@H](C)[NH2+]Cc1cc(C(N)=O)no1
342596101	ZINC000616967687	ref	3.79	-19.09	0	276.311	1.252	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CCC1
365636480	ZINC000274361271	mid	3.12	-8.07	0	273.336	1.803	2	4	6	Cc1ccccc1C[C@@H](C)NCc1cc(C(N)=O)no1
365636488	ZINC000274361274	ref	4.26	-48.74	1	273.336	1.803	2	3	6	Cc1ccccc1C[C@H](C)[NH2+]Cc1cc(C(N)=O)no1
365636492	ZINC000274361274	mid	3.09	-7.26	0	273.336	1.803	2	4	6	Cc1ccccc1C[C@H](C)NCc1cc(C(N)=O)no1
365636500	ZINC000637720232	ref	5.93	-13.3	0	289.379	1.775	1	3	4	CCc1cnccc1C(=O)N1CCCC[C@@H]1CNC(C)=O
365636510	ZINC000274363481	ref	0.52	-10.95	0	297.355	1.166	3	4	8	COCC[C@H](NC(=O)N[C@@H](C(N)=O)C(C)C)c1ccco1
365636516	ZINC000274364197	ref	2.24	-10.56	0	278.356	1.619	3	3	3	Cc1n[nH]cc1CNC(=O)N[C@H]1CCOC2(CCC2)C1
230730168	ZINC000414300587	ref	5.82	-40.61	1	309.479	3.389	2	4	6	CC[C@H]([NH2+][C@H](C)c1cc2c(C)nn(C)c2s1)[C@H](O)C(C)C
365636526	ZINC000274364197	mid	2.2	-10.06	0	278.356	1.619	3	3	3	Cc1[nH]ncc1CNC(=O)N[C@H]1CCOC2(CCC2)C1
365636531	ZINC000274362150	ref	1.66	-12.1	0	289.335	1.96	3	5	7	CCNC(=O)c1ccc(N[C@H](CCO)c2ccco2)nc1
365636536	ZINC000274360740	ref	0.8	-19.84	0	269.251	1.229	3	3	4	Cc1cc(C(=O)NCC(F)(F)CO)c2n[nH]cc2c1
282122733	ZINC000449153726	ref	5.72	-36.19	1	253.411	2.24	2	2	7	CS[C@H](CO)[C@@H](C)[NH2+]CCc1cccc(C)c1
365636552	ZINC000263554826	ref	4.16	-54.79	-1	277.729	1.16	1	5	6	COC[C@@H](NC(=O)Cc1ccc(Cl)s1)C(=O)[O-]
259308330	ZINC000322980474	ref	8.24	-38.74	1	249.398	3.585	1	1	8	CC[C@](C)(C[NH2+]CC[C@@H](C)c1ccccc1)OC
365636563	ZINC000274362270	ref	1.31	-7.24	0	278.283	1.963	0	5	1	Fc1ccc2oc(N3CCO[C@]4(CCOC4)C3)nc2c1
214186204	ZINC000278488922	low	6.12	-37.92	1	324.226	2.253	1	4	3	Cn1cc([C@H]2CCC[N@H+]2Cc2c(Br)cnn2C)cn1
214186208	ZINC000278488997	ref	9.15	-14.86	0	324.424	3.433	1	2	4	Cc1ccc([C@H]2C[C@@H](C)N(C(=O)CCc3ccc(=O)[nH]c3)C2)cc1
214186211	ZINC000278486944	ref	5.94	-12.32	0	324.715	2.944	0	6	5	FC(F)(F)COCSc1nnnn1-c1ccc(Cl)cc1
342596102	ZINC000616968749	ref	4.04	-16.3	0	260.337	1.241	2	2	4	Cc1ccc(CCC(=O)N[C@@H]2CCNC2=O)c(C)c1
214186218	ZINC000278487682	ref	2.21	-47.59	1	312.32	2.731	2	5	7	COc1cccc([C@H](CNc2nnc(C(F)F)o2)[NH+](C)C)c1
342596103	ZINC000616968072	ref	3.63	-18.53	0	288.347	1.626	2	3	4	O=C(N[C@@H]1CCNC1=O)c1ccc(OC2CCCC2)cc1
214186223	ZINC000278487682	mid	2.09	-32.37	0	312.32	2.731	1	4	7	COc1cccc([C@H](C[N-]c2nnc(C(F)F)o2)[NH+](C)C)c1
214186229	ZINC000278487186	ref	5.66	-15.91	0	305.403	2.346	0	5	6	CN(CC(=O)N(C)C)Cc1ccc(Sc2ccccn2)o1
342596104	ZINC000616968535	ref	2.28	-17.1	0	282.727	1.114	2	3	5	O=C(CCOc1ccccc1Cl)N[C@H]1CCNC1=O
342596105	ZINC000616968301	ref	3.44	-20.04	0	274.345	1.448	2	3	3	O=C(Cc1csc2ccccc12)N[C@@H]1CCNC1=O
214186234	ZINC000278487186	low	8.02	-43.87	1	305.403	2.346	1	4	6	CN(C)C(=O)C[N@H+](C)Cc1ccc(Sc2ccccn2)o1
342596106	ZINC000616967741	ref	3.1	-23.58	0	282.727	1.112	2	3	4	C[C@@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
342596107	ZINC000616968365	ref	4.25	-20.91	0	292.766	1.766	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CCC1
282122736	ZINC000248976186	high	2.17	-10.05	0	304.456	1.348	1	4	6	CC[C@@H]1CCCCN1CCNS(=O)(=O)[C@H]1CCO[C@@H]1C
342596108	ZINC000616968503	ref	3.15	-17.57	0	276.336	1.077	2	3	5	Cc1ccc(OCCC(=O)N[C@@H]2CCNC2=O)c(C)c1
214186237	ZINC000278487186	low	7.92	-44.06	1	305.403	2.346	1	4	6	CN(C)C(=O)C[N@@H+](C)Cc1ccc(Sc2ccccn2)o1
214186241	ZINC000278488808	ref	4.22	-13.92	0	313.401	2.168	2	3	6	C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCN2C2CC2)cc1
214186246	ZINC000278488808	mid	6.46	-46.83	1	313.401	2.168	3	2	6	C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1
214186251	ZINC000278488808	mid	7.1	-42.9	1	313.401	2.168	3	2	6	C=CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)cc1
342596109	ZINC000616968172	ref	3.12	-16.1	0	264.35	1.335	2	3	3	CSc1ccc(C)c(C(=O)N[C@H]2CCNC2=O)c1
342596110	ZINC000616968532	ref	2.02	-18.33	0	257.293	1.095	3	2	2	Cc1ccc2cc(C(=O)N[C@@H]3CCNC3=O)[nH]c2c1
197593553	ZINC000162814478	ref	6.3	-43.66	1	322.449	2.977	2	3	10	CCCC[C@@H](C[NH3+])NC(=O)c1ccc(OCC(C)C)c(OC)c1
282122738	ZINC000449153423	ref	5.57	-43.65	1	282.428	2.359	2	2	7	CCCC1(CNC(=O)COC2CCC([NH3+])CC2)CCC1
214186205	ZINC000293589473	ref	7.38	-20.65	0	365.415	0.661	1	9	8	COC(=O)CCSc1ncccc1NC(=O)CCn1ncn(C)c1=O
282122742	ZINC000449154390	ref	7.28	-42.14	1	281.377	2.001	1	4	6	COC(=O)COC[C@H](C)[NH2+][C@@H]1CSc2ccccc21
282122745	ZINC000449154390	high	6.3	-10.88	0	281.377	2.001	1	5	6	COC(=O)COC[C@H](C)N[C@@H]1CSc2ccccc21
282122750	ZINC000449153503	ref	7.68	-49.61	1	250.386	2.308	1	1	3	CC(C)N1C[C@H]([NH2+][C@@H]2CCCC23CCC3)CC1=O
349534925	ZINC000594968871	ref	5.0	-53.25	1	292.404	2.607	1	3	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3cnccc3o2)C1
282122755	ZINC000449153966	ref	7.92	-39.86	1	298.39	2.19	2	3	6	C[C@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1ccccc1-n1cccn1
342079340	ZINC000530882932	ref	5.58	-41.93	1	267.417	1.486	2	2	9	C=CCCCC(=O)NCCCC[NH+]1CCN(C)CC1
342079341	ZINC000530882932	mid	5.56	-39.23	1	267.417	1.486	2	2	9	C=CCCCC(=O)NCCCCN1CC[NH+](C)CC1
342079342	ZINC000530882932	high	3.2	-8.7	0	267.417	1.486	1	3	9	C=CCCCC(=O)NCCCCN1CCN(C)CC1
214186219	ZINC000293590533	ref	2.89	-53.4	1	363.439	0.675	1	4	2	CCN1C(=O)c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2S1(=O)=O
214186221	ZINC000293597394	ref	3.38	-10.72	0	370.427	0.95	0	7	4	COC(=O)c1cc(S(=O)(=O)N2CCC(C3OCCO3)CC2)cnc1C
343993995	ZINC000079913238	ref	3.97	-11.52	0	279.34	2.324	2	3	5	O=C(NCCc1cccc(F)c1)NCc1nccs1
349534930	ZINC000594968871	high	3.95	-16.63	0	292.404	2.607	1	4	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc3cnccc3o2)C1
214186226	ZINC000293591605	ref	4.95	-50.67	1	359.43	0.098	2	6	5	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1
214186232	ZINC000293591605	mid	5.23	-49.84	1	359.43	0.098	2	6	5	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1
136229258	ZINC000184903146	ref	8.82	-6.64	0	249.329	3.386	0	1	5	C=C(C)C[C@H](C)C(=O)N(C)Cc1cccc(F)c1
214190660	ZINC000337633914	mid	3.28	-46.11	1	285.388	0.287	3	3	7	C[C@@H](NC(=O)N(C)CCOCCO)C1=CC[N@@H+](C)CC1
282122759	ZINC000449153966	high	6.87	-13.58	0	298.39	2.19	2	4	6	C[C@H](NC(=O)[C@@H](C)NC1CC1)c1ccccc1-n1cccn1
197593565	ZINC000162812534	ref	8.03	-20.2	0	320.437	2.721	1	4	6	CCCCn1ncc(NC(=O)[C@H]2CCCCN2C(=O)CC)c1C
365636447	ZINC000354709695	ref	3.0	-9.37	0	251.273	1.235	1	3	5	CN(C[C@H]1CCCC[C@@H]1O)C(=O)COC(F)F
365636454	ZINC000354709025	ref	7.33	-9.94	0	288.395	1.686	0	5	4	CN(C)c1nccc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)n1
282122739	ZINC000248975854	ref	5.65	-11.06	0	322.405	1.729	1	4	3	C[C@H]1C[C@@H](C)C[C@]2(C1)NC(=O)N(CC(=O)[C@@H]1CCCOC1)C2=O
282122747	ZINC000248975328	ref	2.68	-33.43	1	314.813	1.651	3	4	7	Cc1ccc(NC(=O)CN(C[C@@H](C)O)[C@H](C)CO)c(Cl)c1
365636460	ZINC000354709025	low	10.03	-38.54	1	288.395	1.686	1	4	4	CN(C)c1nccc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n1
342596111	ZINC000616976056	ref	6.52	-11.72	0	264.373	1.567	0	4	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2nnn(C)c2C1
342596112	ZINC000616968539	ref	2.02	-18.12	0	289.36	1.531	2	4	2	Cc1ccnc2sc(C(=O)N[C@@H]3CCNC3=O)c(C)c12
365636463	ZINC000354709025	low	9.56	-34.53	1	288.395	1.686	1	4	4	CN(C)c1nccc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)n1
365636470	ZINC000354708784	ref	3.62	-45.05	1	295.427	1.186	3	2	5	C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)[C@@H]1C
365636475	ZINC000354708477	ref	-0.37	-11.45	0	272.389	1.388	4	3	6	C[C@H](CO)CCCNC(=O)N[C@H]1CCCCC[C@@H]1O
342596113	ZINC000616968357	ref	1.44	-16.74	0	267.354	1.022	2	4	4	CCCc1nc(C)c(C(=O)N[C@@H]2CCNC2=O)s1
365636484	ZINC000354708664	ref	2.05	-11.94	0	282.344	1.461	1	5	5	COc1nn(C)cc1NC(=O)N(C)CC[C@@H]1CCCO1
365636494	ZINC000354708729	ref	8.61	-51.46	1	268.401	1.602	1	2	7	C[C@@H]1C[C@H]1CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1
342596114	ZINC000616967973	ref	3.06	-17.66	0	276.336	1.077	2	3	5	Cc1cc(C)cc(OCCC(=O)N[C@@H]2CCNC2=O)c1
342596115	ZINC000616967743	ref	3.1	-23.64	0	282.727	1.112	2	3	4	C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H]1CCNC1=O
365636502	ZINC000354708729	high	6.13	-8.95	0	268.401	1.602	0	3	7	C[C@@H]1C[C@H]1CC(=O)N(CCN(C)C)C[C@H]1CCCO1
365636507	ZINC000354708782	ref	3.61	-45.13	1	295.427	1.186	3	2	5	C[C@@H]1CCC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)[C@@H]1C
342596116	ZINC000616968540	ref	2.02	-18.0	0	289.36	1.531	2	4	2	Cc1ccnc2sc(C(=O)N[C@H]3CCNC3=O)c(C)c12
365636515	ZINC000354709029	ref	7.22	-42.12	1	270.417	1.99	1	2	6	CC(C)OCCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1
342596117	ZINC000616967731	ref	3.76	-21.08	0	278.739	1.376	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2cccc(Cl)c2)CC1
365636521	ZINC000354709029	mid	7.63	-41.35	1	270.417	1.99	1	2	6	CC(C)OCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1
365636529	ZINC000354708730	ref	8.23	-47.02	1	268.401	1.602	1	2	7	C[C@@H]1C[C@@H]1CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1
214186213	ZINC000337627731	ref	3.6	-10.29	0	270.279	2.114	2	2	3	C[C@H](NC(=O)N[C@H]1CCOC1)c1c(F)cccc1F
214186217	ZINC000337627265	ref	6.48	-17.42	0	263.366	2.274	1	3	5	CCN(C)C(=O)CSCc1nc2ccccc2[nH]1
214186227	ZINC000337624920	ref	-0.76	-13.73	0	275.349	-0.591	3	4	9	CC(C)C(=O)NCCNC(=O)N(C)CCOCCO
214186228	ZINC000337627212	ref	7.61	-7.09	0	259.231	2.413	2	2	3	O=C(Nc1nc(C(F)(F)F)c[nH]1)[C@@H]1C[C@@H]1C1CC1
222608398	ZINC000222461218	ref	7.09	-48.74	-1	387.263	2.903	2	4	8	O=C([O-])CC[C@@]1(CCC(=O)NCc2cc(Cl)cc(Cl)c2)CCC(=O)N1
342079343	ZINC000608863242	ref	6.14	-12.31	0	295.387	1.247	0	7	9	CCCCn1nnnc1CN(C[C@H](C)C(=O)OC)C1CC1
214186230	ZINC000337627212	mid	7.53	-5.97	0	259.231	2.413	2	2	3	O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1C[C@@H]1C1CC1
214186233	ZINC000337625903	ref	2.14	-13.22	0	282.344	-0.471	2	3	5	CCCNC(=O)CNC(=O)N1CCN(C2CC2)C(=O)C1
306234681	ZINC000557903580	ref	6.17	-31.35	0	334.445	1.778	1	5	4	CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)c2ccnc3c2ncn3C)C1
306234682	ZINC000557915841	ref	7.1	-26.46	0	339.395	1.908	1	4	6	C[C@H]1C[C@H](NC(=O)COCc2cccnc2)C(=O)N1c1ccccc1
307041839	ZINC000364135213	ref	7.54	-92.49	2	322.453	1.796	1	5	8	CCOCCNC(=O)CN1CCC[C@H](n2ccnc2C(C)C)C1
214186250	ZINC000337626401	ref	8.24	-9.3	0	263.406	3.257	1	2	6	CCSc1ccc(CC(=O)NCC2(C)CC2)cc1
178302564	ZINC000237215019	ref	3.19	-12.85	0	353.85	1.725	1	5	4	COc1cc(N)c(Cl)cc1C(=O)N1CC[C@H](CN2CCOCC2)C1
214186255	ZINC000337625719	ref	3.51	-20.61	0	283.353	0.406	1	6	7	CN(CCOCCO)C(=O)Cc1csc2nccn12
214186258	ZINC000337627566	ref	2.32	-20.97	0	273.358	0.072	1	5	7	C[C@H](CC[S@@](C)=O)NC(=O)COc1cnn(C)c1
178302568	ZINC000237215019	mid	5.33	-45.57	1	353.85	1.725	2	4	4	COc1cc(N)c(Cl)cc1C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1
214186262	ZINC000337624674	ref	8.4	-13.75	0	281.4	3.135	1	4	9	CCCCCn1nc(C)cc1NC(=O)CO[C@@H](C)CC
214186264	ZINC000337627203	ref	5.51	-13.81	0	279.365	2.253	2	3	6	CCCCc1cc(=NC(=O)COc2ccsc2)[nH][nH]1
214186268	ZINC000337625578	ref	4.99	-9.77	0	266.366	2.384	1	3	2	O=C(N[C@@H]1CCOC1)N1CCC[C@@H]1c1ccsc1
178302569	ZINC000237220385	ref	5.69	-47.22	1	355.232	1.779	2	3	5	COC(=O)C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1
342079344	ZINC000608863242	low	8.21	-51.47	1	295.387	1.247	1	6	9	CCCCn1nnnc1C[N@H+](C[C@H](C)C(=O)OC)C1CC1
342079345	ZINC000608863242	low	8.11	-48.15	1	295.387	1.247	1	6	9	CCCCn1nnnc1C[N@@H+](C[C@H](C)C(=O)OC)C1CC1
349534926	ZINC000602430153	mid	9.56	-53.59	1	247.346	1.682	1	4	6	C[C@H](CCC#N)C[N@H+]1CCC[C@H]1Cn1cncn1
365636455	ZINC000623069512	ref	3.01	-45.44	1	312.439	1.407	2	5	6	COCC1(CNC(=O)c2nnc(C(C)C)s2)CC[NH2+]CC1
365636467	ZINC000623069449	ref	1.37	-55.08	1	317.349	1.237	3	5	4	O=C(NC[C@@H]1C[NH2+]CCCO1)Nc1ccc(-c2ncon2)cc1
190493805	ZINC000269430034	ref	1.99	-23.71	0	253.302	-0.632	1	3	5	C=CC(=O)NCCC(=O)N(C)[C@H]1CCN(C)C1=O
365636474	ZINC000623069392	ref	1.57	-52.46	1	316.361	1.019	3	3	2	C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@H]1C[NH3+]
349534929	ZINC000258918158	ref	9.31	-42.16	0	237.274	2.122	1	2	5	C[N@H+](Cc1ccc(F)cc1)CC1(C(=O)[O-])CC1
365636478	ZINC000623069392	high	-0.24	-78.54	0	316.361	1.019	2	3	2	C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C[NH3+]
365636485	ZINC000623068516	ref	0.27	-65.99	1	315.255	1.748	3	4	4	[NH3+]C[C@H](NC(=O)Nc1ccc(-c2ncon2)cc1)C(F)(F)F
365636490	ZINC000623068516	high	-0.1	-16.31	0	315.255	1.748	3	5	4	NC[C@H](NC(=O)Nc1ccc(-c2ncon2)cc1)C(F)(F)F
365636496	ZINC000623069394	ref	1.34	-52.38	1	316.361	1.019	3	3	2	C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@H]1C[NH3+]
365636503	ZINC000623069394	high	-0.47	-78.6	0	316.361	1.019	2	3	2	C[C@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@H]1C[NH3+]
365636509	ZINC000623068552	ref	6.89	-63.84	1	311.389	1.43	2	2	1	O=C(N=c1ccn([C@@H]2CC[NH2+]C2)[nH]1)N1CCc2ccccc2C1
349534932	ZINC000258918158	mid	9.26	-43.36	0	237.274	2.122	1	2	5	C[N@@H+](Cc1ccc(F)cc1)CC1(C(=O)[O-])CC1
365636513	ZINC000623068550	ref	6.34	-53.62	1	319.796	1.697	1	4	3	CN(C(=O)c1nc(-c2ccc(Cl)cc2)nn1C)C1CC([NH3+])C1
199273059	ZINC000294964100	ref	5.21	-17.86	0	275.373	2.225	1	2	5	CC[S@@](=O)CC(=O)NCc1cccc2ccccc12
199273062	ZINC000294963918	ref	7.88	-9.65	0	298.39	2.358	1	4	6	CCn1nnc(C)c1C(=O)N[C@@H](Cc1ccccc1)C1CC1
282122740	ZINC000151681563	ref	6.78	-14.97	0	324.38	2.045	2	4	7	C[C@@H](NC(=O)COc1ccc(C#N)cc1)[C@@H](O)Cc1ccccc1
342596118	ZINC000616968404	ref	2.49	-19.03	0	298.289	1.225	2	3	6	O=C(CCc1ccc(OC(F)F)cc1)N[C@H]1CCNC1=O
342596119	ZINC000616968318	ref	2.78	-19.62	0	271.32	1.403	3	2	2	Cc1[nH]c2c(C(=O)N[C@H]3CCNC3=O)cccc2c1C
282122748	ZINC000151680245	ref	6.42	-15.22	0	310.35	2.394	1	5	8	CCOc1ccc(C(=O)N[C@@H](COC)C(C)C)cc1[N+](=O)[O-]
214186236	ZINC000293591605	high	3.57	-14.66	0	359.43	0.098	1	7	5	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc(=O)n(-c2cnn(C)c2)c1
178302565	ZINC000082802908	high	3.18	-8.51	0	273.38	1.037	1	3	2	CCN1CCN(C(=O)[C@H]2CNCc3ccccc32)CC1
365636456	ZINC000576598785	mid	2.8	-35.66	1	246.314	1.27	2	4	5	Cc1[nH+]cc(CNc2ccc(CCO)nc2)n1C
365636462	ZINC000576597649	ref	0.42	-6.78	0	215.293	0.548	2	3	5	CCC1(CNC(=O)C(C)(C)CO)COC1
365636468	ZINC000576597832	ref	1.16	-7.14	0	201.266	0.252	1	3	4	CCC1CN(C(=O)[C@](C)(O)COC)C1
365636473	ZINC000576597925	ref	-0.42	-15.15	0	234.321	0.371	2	4	8	CC[C@@H](O)CCCNS(=O)(=O)CCC#N
365636481	ZINC000576597502	ref	7.41	-43.7	1	233.359	3.014	1	2	3	Cc1ncncc1[C@H](C)[NH2+][C@@H]1CCC[C@H](C)C1
365636487	ZINC000576599113	ref	7.02	-32.19	1	224.392	2.497	2	0	5	C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCCC12CC2
342079346	ZINC000618607187	ref	0.8	-11.45	0	287.266	1.269	1	5	5	COc1ncnc(OC)c1C(=O)NC[C@]1(C)CC1(F)F
365636491	ZINC000576599113	mid	7.02	-32.19	1	224.392	2.497	1	1	5	CN(C)CC(C)(C)C[NH2+][C@H]1CCCC12CC2
365636498	ZINC000576597503	ref	7.38	-43.68	1	233.359	3.014	1	2	3	Cc1ncncc1[C@H](C)[NH2+][C@H]1CCC[C@@H](C)C1
365636504	ZINC000576598561	ref	-1.48	-11.68	0	235.305	-0.44	1	4	3	CN([C@@H]1COC[C@H]1O)S(=O)(=O)C1(C)CC1
412491589	ZINC000432894727	ref	-0.97	-19.84	0	319.387	-0.726	3	7	6	CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCCc1nc(N)no1
412491592	ZINC000352156768	ref	0.51	-17.04	0	306.326	-0.278	2	7	6	COCCn1ccc(=NC(=O)c2cnc(COC)nc2N)[nH]1
365636528	ZINC000576597726	ref	8.63	-12.91	0	247.338	2.551	0	2	4	CCC1CN(C(=O)COc2cc(C)cc(C)c2)C1
365636543	ZINC000576596862	ref	0.83	-56.14	1	246.332	-0.487	1	3	2	[NH3+]C[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O
365636547	ZINC000576596862	high	0.47	-18.18	0	246.332	-0.487	1	4	2	NC[C@H]1CCCN1C(=O)[C@H]1CCCS1(=O)=O
342079347	ZINC000608865052	ref	6.31	-9.03	0	281.344	1.967	1	6	4	N#Cc1cc(C#N)c(SCCc2ccccn2)nc1N
342079348	ZINC000608863849	ref	4.11	-8.44	0	267.329	1.405	0	6	7	CCc1noc(CN(C[C@@H](C)C(=O)OC)C2CC2)n1
342079349	ZINC000608863849	low	5.87	-41.57	1	267.329	1.405	1	5	7	CCc1noc(C[N@H+](C[C@@H](C)C(=O)OC)C2CC2)n1
342079350	ZINC000608863849	low	6.08	-41.19	1	267.329	1.405	1	5	7	CCc1noc(C[N@@H+](C[C@@H](C)C(=O)OC)C2CC2)n1
342079351	ZINC000625304914	ref	2.59	-40.3	1	271.401	1.447	3	3	7	CC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCOCC1
342079352	ZINC000071074630	ref	6.24	-8.29	0	284.366	1.436	0	8	5	COC(=O)[C@H](C)Sc1nnnn1Cc1cccs1
342079353	ZINC000608864714	ref	3.55	-14.1	0	256.375	1.015	2	4	7	CSCCNC(=O)NCCCc1cnn(C)c1
342079354	ZINC000625304976	ref	1.75	-7.8	0	271.405	1.126	2	3	9	CCCCCN(CC(N)=O)CC(=O)NCC(C)(C)C
342079355	ZINC000625304976	low	4.12	-41.87	1	271.405	1.126	3	2	9	CCCCC[N@H+](CC(N)=O)CC(=O)NCC(C)(C)C
214186238	ZINC000053496911	mid	5.61	-3.26	0	339.199	3.421	1	2	6	C[C@@H](CNCC(F)(F)F)N(C)Cc1cccc(Br)c1
214186242	ZINC000053514544	ref	3.69	-23.18	0	339.351	2.293	3	4	6	COc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1OCC(N)=O
214186248	ZINC000053501902	ref	4.81	-11.83	0	332.448	1.347	2	3	5	Cc1ccc(CNC(=O)N2CCN(CC(=O)NC(C)C)CC2)cc1
214186252	ZINC000053509755	ref	5.99	-13.23	0	327.384	2.367	1	4	4	COc1cc2c(cc1OC)CN(C(=O)NCc1ccncc1)CC2
365636476	ZINC000625077285	ref	9.22	-12.26	0	314.38	2.493	0	5	3	Cc1nnc(N2C[C@H](C)C(F)(F)[C@@H](C)C2)n1C[C@H]1CCCO1
214186256	ZINC000053495079	ref	9.04	-9.64	0	332.419	2.936	0	2	2	C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1
178302573	ZINC000082798596	ref	2.94	-52.72	1	261.774	2.24	1	2	4	C[C@@H]([NH3+])C[C@@H](C)S(=O)(=O)c1cccc(Cl)c1
214186261	ZINC000053517555	ref	7.6	-13.2	0	327.432	2.104	1	4	3	O=C(NC1CCCC1)N1CCN(Cc2cn3ccccc3n2)CC1
323004601	ZINC000566538130	mid	6.49	-35.38	1	239.359	1.914	1	2	2	C[C@H]1C[C@H]1C[N@H+]1CCOC2(CCOCC2)CC1
214186265	ZINC000053517555	low	7.7	-36.35	1	327.432	2.104	1	3	3	O=C(NC1CCCC1)N1CCN(Cc2cn3ccccc3[nH+]2)CC1
365636483	ZINC000625075831	ref	7.74	-16.73	0	318.417	2.026	1	3	6	Cc1ccc(CO[C@H](C)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1
214186270	ZINC000053515186	ref	1.5	-22.41	0	331.397	1.527	3	4	6	CCNC(=O)c1ccc(CNC(=O)c2cc(C(N)=O)cs2)cc1
342079356	ZINC000625304976	low	3.86	-34.07	1	271.405	1.126	3	2	9	CCCCC[N@@H+](CC(N)=O)CC(=O)NCC(C)(C)C
214186274	ZINC000053495906	ref	3.43	-16.69	0	331.825	1.127	1	3	3	CS(=O)(=O)N1CCN(C(=O)NCc2cccc(Cl)c2)CC1
214186281	ZINC000053495082	ref	9.04	-9.87	0	332.419	2.936	0	2	2	C[C@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)C1
398249293	ZINC000649443055	ref	2.62	-49.4	1	231.299	1.862	3	1	2	Cc1cc(NC(N)=O)ccc1C1=CC[NH2+]CC1
214186293	ZINC000053508087	ref	1.34	-18.8	0	330.381	1.382	2	4	4	COc1ccc([C@@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F
214190662	ZINC000337633914	high	0.76	-9.67	0	285.388	0.287	2	4	7	C[C@@H](NC(=O)N(C)CCOCCO)C1=CCN(C)CC1
342079357	ZINC000608861453	ref	5.12	-11.84	0	257.33	1.215	0	4	5	CCOC(=O)CCN(C)C(=O)C1(C)CCOCC1
168366113	ZINC000071505893	ref	2.77	-43.27	1	191.274	1.556	2	1	2	C[C@@H]([NH3+])[C@@H](O)c1ccc2c(c1)CCC2
365636489	ZINC000336553632	ref	6.81	-43.66	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)[nH]n1
365636493	ZINC000336553632	mid	6.32	-44.73	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)[nH]n1
365636499	ZINC000336553632	mid	6.72	-37.64	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCOC3)C2)n[nH]1
343993996	ZINC000599268084	ref	3.67	-9.47	0	299.33	1.658	0	6	3	COC(=O)c1cnc(CN2CCOc3ccccc3C2)cn1
365636501	ZINC000336553632	mid	6.24	-38.5	1	263.385	2.324	2	2	3	Cc1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCCOC3)C2)n[nH]1
365636508	ZINC000336552878	ref	7.55	-40.05	1	290.411	2.037	1	3	2	Cn1cc(N2CCC[C@H]([NH+]3CCC(C)(C)CC3)C2=O)cn1
365636512	ZINC000336552878	mid	5.48	-13.82	0	290.411	2.037	0	4	2	Cn1cc(N2CCC[C@H](N3CCC(C)(C)CC3)C2=O)cn1
365636519	ZINC000336552453	ref	4.46	-28.25	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)sc1C
365636525	ZINC000336552453	mid	4.69	-30.53	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)sc1C
365636527	ZINC000336552453	mid	3.05	-5.93	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@@H](C)[C@H]2CO)sc1C
342088369	ZINC000121374182	low	6.75	-70.13	0	290.279	1.006	1	5	5	Cn1c[nH+]cc1CCNC(=O)c1ccc([O-])c([N+](=O)[O-])c1
365636533	ZINC000336551972	ref	8.57	-17.28	0	278.396	2.202	0	2	3	CCCC(=O)N1CCC[C@@H]1C(=O)N1CC(C)=C[C@H](C)C1
365636553	ZINC000336553269	ref	6.86	-34.25	1	278.318	2.27	1	1	2	C[C@@H]1C[N@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636556	ZINC000336553269	mid	7.17	-33.81	1	278.318	2.27	1	1	2	C[C@@H]1C[N@@H+]([C@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636559	ZINC000336553269	mid	5.19	-9.15	0	278.318	2.27	0	2	2	C[C@@H]1CN([C@H]2CCN(CC(F)(F)F)C2=O)C(C)(C)C1
365636565	ZINC000336554022	ref	7.88	-42.91	1	277.412	2.393	1	3	3	Cc1cc(C)n(CC[N@@H+]2CCC[C@@]3(CCCOC3)C2)n1
323004602	ZINC000566538127	ref	6.58	-39.09	1	239.359	1.914	1	2	2	C[C@@H]1C[C@@H]1C[N@@H+]1CCOC2(CCOCC2)CC1
185088991	ZINC000096079243	ref	9.72	-11.11	0	295.386	3.091	1	2	1	C[C@@H]1CC2(CCN(C(=O)c3c[nH]cn3)CC2)c2ccccc21
342088370	ZINC000600314863	ref	6.62	-40.8	1	270.373	1.034	2	3	5	COC(=O)C[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342088371	ZINC000600314863	mid	6.52	-41.61	1	270.373	1.034	2	3	5	COC(=O)C[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
342088372	ZINC000121437573	ref	5.19	-24.93	0	297.424	1.46	0	4	5	CN(C(=O)C[S@](=O)Cc1ccnn1C)C1CCCCC1
342088373	ZINC000621363068	ref	4.21	-36.07	1	268.401	1.384	3	2	4	C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1CO
342088374	ZINC000621363068	mid	4.13	-32.4	1	268.401	1.384	3	2	4	C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@H]1CO
365636495	ZINC000625076323	ref	8.0	-12.54	0	322.453	2.227	0	6	5	CN(CC1(C)COC1)c1nnc(C(C)(C)C)n1C[C@@H]1CCCO1
365636506	ZINC000625076841	ref	6.65	-13.69	0	313.394	2.333	0	3	6	CCO[C@H](CS(=O)(=O)N1CCc2cccc(F)c21)C1CC1
365636514	ZINC000625075284	ref	3.71	-10.27	0	317.252	2.478	1	3	6	CCSc1ccc(CN(C)CC(N)=O)c(Br)c1
178302571	ZINC000237212523	ref	5.07	-43.91	1	351.491	1.298	2	3	6	COCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1
365636524	ZINC000625078529	ref	8.43	-11.79	0	320.437	2.197	0	6	6	CN(CC1(C)COC1)c1nnc(C2CCC2)n1C[C@@H]1CCCO1
365636534	ZINC000625079189	ref	10.67	-35.58	1	310.397	2.406	1	2	5	CC(C)C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CC1
365636540	ZINC000625079189	mid	10.82	-36.78	1	310.397	2.406	1	2	5	CC(C)C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C1CC1
365636545	ZINC000625079189	high	8.93	-10.12	0	310.397	2.406	0	3	5	CC(C)CN(CC#CCN1C(=O)c2ccccc2C1=O)C1CC1
365636550	ZINC000625078152	ref	6.86	-13.99	0	301.456	2.279	0	4	8	CCC(C)(C)CS(=O)(=O)N(C)CCCn1ccnc1C
230730241	ZINC000450408950	ref	3.48	-20.55	0	319.34	1.024	2	6	7	C=CC[C@H](CO)CNC(=O)c1ccc(-n2nnnc2C)cc1F
365636555	ZINC000625078152	mid	7.34	-40.23	1	301.456	2.279	0	3	8	CCC(C)(C)CS(=O)(=O)N(C)CCCn1cc[nH+]c1C
178302575	ZINC000237213161	ref	4.22	-48.31	1	357.458	1.214	2	5	7	COc1ccc(C)cc1-n1ccc(C(=O)NCCCN2CC[NH2+]CC2)n1
178302578	ZINC000237214809	ref	7.22	-87.74	2	358.53	1.83	3	2	7	C[NH+]1CCN(Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)CC1
178302580	ZINC000237214809	mid	7.09	-89.47	2	358.53	1.83	3	2	7	CN1CC[NH+](Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)CC1
178302583	ZINC000237214809	high	4.84	-44.51	1	358.53	1.83	2	3	7	CN1CCN(Cc2ccc(CNC(=O)CCC3CC[NH2+]CC3)cc2)CC1
178302585	ZINC000237203044	ref	6.92	-46.43	1	370.497	1.886	2	2	4	CN(C(=O)CCNC(=O)N1CCc2ccccc2C1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302589	ZINC000237204554	ref	3.98	-54.49	1	373.457	1.466	2	6	8	COCCOc1ccc(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1
365636561	ZINC000625077478	ref	5.31	-13.63	0	316.401	2.103	2	3	4	CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1
365636573	ZINC000625078659	ref	8.01	-17.15	0	314.389	2.294	0	6	4	COc1cccc2c1CN(c1nnc(C)n1C[C@@H]1CCCO1)C2
349536134	ZINC000602431545	mid	10.36	-48.89	1	248.345	3.758	1	1	6	C[C@@H](CCC#N)C[N@@H+](C)[C@@H](C)c1ccc(F)cc1
197593589	ZINC000290095884	ref	3.56	-9.65	0	279.34	1.703	1	5	2	Cn1cc2c(n1)CCC[C@H]2NC(=O)OC1CCOCC1
282122749	ZINC000248975328	mid	2.91	-33.02	1	314.813	1.651	4	3	7	Cc1ccc(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c(Cl)c1
342596120	ZINC000616967832	ref	4.04	-19.41	0	297.358	1.665	3	2	2	O=C(N[C@@H]1CCNC1=O)c1cccc2c3c([nH]c12)CCCC3
282122753	ZINC000248975328	mid	2.68	-33.43	1	314.813	1.651	4	3	7	Cc1ccc(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c(Cl)c1
282122758	ZINC000248971988	ref	2.98	-13.86	0	311.403	1.779	1	4	4	COc1cccc2c1CC[C@@H]2NS(=O)(=O)[C@@H]1CCO[C@@H]1C
230730226	ZINC000425463730	ref	3.04	-20.28	0	304.456	2.081	2	3	9	CCCC1(CNC(=O)NCCCCS(C)(=O)=O)CCC1
282122765	ZINC000248975377	ref	2.91	-34.13	1	308.422	1.614	3	4	7	Cc1cc(C)c(NC(=O)CN(C[C@H](C)O)[C@H](C)CO)c(C)c1
342596121	ZINC000616968714	ref	3.41	-16.08	0	266.728	1.277	2	2	4	O=C(CCc1cccc(Cl)c1)N[C@H]1CCNC1=O
282122771	ZINC000248975377	mid	3.41	-34.85	1	308.422	1.614	4	3	7	Cc1cc(C)c(NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)c(C)c1
342596122	ZINC000616968717	ref	2.45	-22.43	0	272.226	1.324	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccccc1C(F)(F)F
365636518	ZINC000623068290	ref	4.47	-52.62	1	312.373	1.122	2	3	1	[NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3nc4ccccc4c(=O)[nH]3)C[C@@H]12
365636522	ZINC000623068290	mid	3.4	-75.43	0	312.373	1.122	1	3	1	[NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C[C@@H]12
342596123	ZINC000616967974	ref	3.06	-17.67	0	276.336	1.077	2	3	5	Cc1cc(C)cc(OCCC(=O)N[C@H]2CCNC2=O)c1
365636530	ZINC000623068178	ref	8.31	-51.16	1	313.405	1.684	1	4	7	Cn1nc(C2CC2)nc1C(=O)N(CCC[NH3+])Cc1ccccc1
365636535	ZINC000623069412	ref	1.58	-46.81	1	304.213	1.764	2	3	5	[NH3+]CC1(CCNC(=O)c2ncc(Br)s2)CC1
365636538	ZINC000623068293	ref	4.54	-56.45	1	312.373	1.122	2	3	1	[NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3nc4ccccc4c(=O)[nH]3)C[C@H]12
365636541	ZINC000623068293	mid	3.48	-82.03	0	312.373	1.122	1	3	1	[NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C[C@H]12
365636546	ZINC000623069446	ref	4.88	-50.07	1	312.373	1.328	3	3	2	O=C(N[C@H]1CC[NH2+]C12CCCC2)c1nc2ccccc2c(=O)[nH]1
342596124	ZINC000616967895	ref	3.87	-17.27	0	258.321	1.111	2	2	2	O=C(N[C@@H]1CCNC1=O)[C@H]1CCCc2ccccc21
342596125	ZINC000616968554	ref	1.08	-18.47	0	291.332	1.33	2	5	3	Cc1ccc(-c2nc(C(=O)N[C@H]3CCNC3=O)cs2)o1
282952188	ZINC000418130258	ref	1.83	-41.65	1	287.404	0.996	3	3	9	CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1C[C@@H](OCC)[C@H]1OC
342079358	ZINC000625304782	ref	9.73	-13.35	0	294.358	1.515	0	4	1	Cc1nnc2n1CCN(C(=O)[C@@H]1[C@H]3Cc4ccccc4[C@H]31)C2
214186240	ZINC000293599182	ref	5.49	-15.06	0	366.422	0.576	2	7	2	Cc1nc(NC(=O)C(=O)N2CC[C@H](NC(=O)OC(C)(C)C)[C@H]2C)nn1C
214186244	ZINC000293597017	ref	6.76	-43.97	1	367.471	0.813	1	6	7	COC(=O)CN(CCN1CC[NH+](C)CC1)C(=O)c1csc(C(C)=O)c1
398249296	ZINC000649443112	ref	5.13	-48.24	1	228.295	1.866	2	1	1	Cc1cc(C2=CC[NH2+]CC2)cc2c1NC(=O)C2
398249299	ZINC000649443124	ref	1.29	-47.33	1	220.272	0.829	2	3	4	OCCOc1cncc(C2=CC[NH2+]CC2)c1
365636523	ZINC000172915222	ref	4.06	-14.73	0	278.377	1.562	2	3	5	C[C@H](CNC(=O)[C@H]1CCC(=O)N1)Sc1ccccc1
214186245	ZINC000293597017	mid	4.4	-16.8	0	367.471	0.813	0	7	7	COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1csc(C(C)=O)c1
214186249	ZINC000293587457	ref	0.07	-21.75	0	371.459	0.605	1	6	8	COC[C@H]1CCN1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
214186253	ZINC000293587457	low	3.19	-51.83	1	371.459	0.605	2	5	8	COC[C@H]1CC[N@@H+]1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
398249301	ZINC000649443151	ref	6.36	-46.01	1	243.306	2.417	1	2	1	CC1(C)Oc2ccc(C3=CC[NH2+]CC3)cc2C1=O
222608407	ZINC000222397026	ref	11.36	-15.57	0	393.314	4.008	1	2	6	CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl
214186257	ZINC000293587457	low	3.22	-47.22	1	371.459	0.605	2	5	8	COC[C@H]1CC[N@H+]1CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1
214186260	ZINC000293588954	ref	1.7	-15.85	0	362.171	0.279	2	4	2	C[C@@H]1CCNC(=O)[C@H]1NC(=O)c1cnn(C)c1I
214186266	ZINC000293593359	ref	2.55	-20.39	0	372.429	0.561	3	6	7	CCNC(=O)c1ccc(C)c(NC(=O)C(=O)NCCCc2cnn(C)n2)c1
214186273	ZINC000293585556	ref	0.87	-16.74	0	357.472	0.734	1	6	9	COCCc1ccc(OC[C@@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1
178302579	ZINC000082799053	ref	3.79	-44.05	1	253.433	1.541	1	3	8	CC[NH2+][C@H](C)C[C@@H](C)SCCS(C)(=O)=O
178302582	ZINC000082799048	ref	4.55	-44.8	1	267.46	1.931	1	3	9	CCC[NH2+][C@@H](C)C[C@H](C)SCCS(C)(=O)=O
342079359	ZINC000032072789	ref	5.07	-45.46	1	295.408	1.567	2	3	7	CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C#N)cc1
342079360	ZINC000032072789	high	3.12	-9.52	0	295.408	1.567	1	4	7	CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C#N)cc1
342079361	ZINC000608863040	ref	9.28	-42.21	1	279.384	1.626	1	4	8	COC(=O)[C@@H](C)C[N@H+](CCCc1cnn(C)c1)C1CC1
342079362	ZINC000608863040	mid	9.26	-42.05	1	279.384	1.626	1	4	8	COC(=O)[C@@H](C)C[N@@H+](CCCc1cnn(C)c1)C1CC1
342079363	ZINC000608860438	ref	8.84	-66.63	1	290.323	1.284	2	5	7	C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1
361823499	ZINC000612424292	ref	4.69	-13.87	0	315.295	2.1	2	4	4	CC(C)[C@H](O)CNC(=O)c1cccn2cc(C(F)(F)F)nc12
214186259	ZINC000278488474	ref	2.32	-10.9	0	306.362	1.299	3	4	4	CC(C)(C)[C@@H](CO)NC(=O)C[C@H]1Oc2ccccc2NC1=O
185088993	ZINC000096079243	mid	9.39	-12.9	0	295.386	3.091	1	2	1	C[C@@H]1CC2(CCN(C(=O)c3cnc[nH]3)CC2)c2ccccc21
214186263	ZINC000278487922	ref	6.3	-12.65	0	318.352	1.87	1	5	3	Cc1nc(C(=O)N[C@H]2CCOC[C@@H]2C)nn1-c1ccc(F)cc1
214186267	ZINC000278488621	ref	7.44	-8.57	0	320.845	3.292	1	3	5	O=C1[C@@H](NCc2sccc2Cl)CCN1Cc1ccccc1
214186269	ZINC000278488621	mid	8.71	-36.94	1	320.845	3.292	1	2	5	O=C1[C@@H]([NH2+]Cc2sccc2Cl)CCN1Cc1ccccc1
214186271	ZINC000278487435	ref	4.35	-47.17	1	312.41	2.862	2	4	9	COCC[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1ccco1
214186276	ZINC000278487435	high	3.13	-9.56	0	312.41	2.862	2	5	9	COCC[C@@H](NCCCNC(=O)OC(C)(C)C)c1ccco1
199273060	ZINC000181263344	ref	6.05	-17.14	0	318.421	1.458	1	4	4	Cn1cc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c(C(C)(C)C)n1
214186280	ZINC000278488807	ref	6.28	-43.84	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C
214186283	ZINC000278488807	mid	6.47	-44.44	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C
214186287	ZINC000278488807	mid	4.01	-9.46	0	319.449	1.634	2	3	5	Cc1ccccc1CCNC(=O)N1CCN(C[C@@H](C)O)C[C@H]1C
214186290	ZINC000278487927	ref	6.3	-12.61	0	318.352	1.87	1	5	3	Cc1nc(C(=O)N[C@@H]2CCOC[C@H]2C)nn1-c1ccc(F)cc1
214186294	ZINC000278488364	ref	9.66	-18.55	0	300.322	2.416	2	6	6	C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cn1ccnc1
199273061	ZINC000181260390	ref	7.02	-15.43	0	307.39	2.504	1	4	7	CC[C@H](C(=O)NCC(C)(C)C(=O)OC)c1ccc(OC)cc1
214186298	ZINC000278488364	low	10.17	-48.27	1	300.322	2.416	2	5	6	C[C@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cn1cc[nH+]c1
214186301	ZINC000278488702	ref	7.45	-59.71	1	308.397	2.713	1	2	5	CCOc1ccc(C[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)cc1F
214186305	ZINC000278488702	mid	6.33	-11.31	0	308.397	2.713	1	3	5	CCOc1ccc(CN[C@H]2CC(=O)N(C(C)(C)C)C2)cc1F
342079364	ZINC000608860438	mid	8.84	-65.83	1	290.323	1.284	2	5	7	C[N@H+](Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1
168366116	ZINC000054498435	ref	4.37	-49.4	1	166.228	0.503	1	3	3	C[C@@H]([NH3+])Cc1nncn1C1CC1
365636532	ZINC000354708730	high	5.75	-6.31	0	268.401	1.602	0	3	7	C[C@@H]1C[C@@H]1CC(=O)N(CCN(C)C)C[C@@H]1CCCO1
365636537	ZINC000354708710	ref	5.69	-14.08	0	263.341	1.255	0	4	3	COC[C@@H]1CCN(C(=O)[C@@H]2CCCc3nccn32)C1
365636539	ZINC000354708710	mid	6.16	-32.1	1	263.341	1.255	0	3	3	COC[C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]ccn32)C1
342079365	ZINC000608860438	high	6.44	-19.59	0	290.323	1.284	1	6	7	CN(Cc1ccccc1)C[C@@H](O)Cn1cnc([N+](=O)[O-])c1
178302590	ZINC000082802925	ref	5.9	-50.14	1	282.343	2.521	2	2	3	COc1cccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)c1
178302593	ZINC000082802925	high	4.31	-9.71	0	282.343	2.521	2	3	3	COc1cccc(NC(=O)[C@@H]2CNCc3ccccc32)c1
365636542	ZINC000354709871	ref	4.68	-44.14	1	297.443	1.72	3	2	10	CCCC[C@@H](CCC)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
178302595	ZINC000082802959	ref	5.95	-47.08	1	296.37	2.198	2	2	4	COc1ccccc1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21
365636548	ZINC000354709568	ref	4.89	-8.84	0	257.293	1.805	1	4	5	CCOc1cccc(CNC(=O)c2cncnc2)c1
365636558	ZINC000354709145	ref	4.56	-11.34	0	265.3	1.934	1	3	6	CC(C)O[C@H]1C[C@H](NC(=O)COC(F)F)C1(C)C
365636564	ZINC000354709777	ref	7.28	-12.59	0	280.291	1.822	2	5	3	Cc1nc(NC(=O)c2cnnc(-c3ccccc3)c2)n[nH]1
282122752	ZINC000262903007	ref	3.82	-47.97	1	291.399	0.925	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])CC2
365636569	ZINC000354709777	mid	6.78	-10.93	0	280.291	1.822	2	5	3	Cc1nnc(NC(=O)c2cnnc(-c3ccccc3)c2)[nH]1
365636574	ZINC000354709777	mid	6.78	-10.93	0	280.291	1.822	2	5	3	Cc1n[nH]c(NC(=O)c2cnnc(-c3ccccc3)c2)n1
178302597	ZINC000082802959	high	4.48	-9.72	0	296.37	2.198	2	3	4	COc1ccccc1CNC(=O)[C@@H]1CNCc2ccccc21
365636580	ZINC000354709019	ref	7.56	-41.97	1	270.417	1.99	1	2	6	CC(C)OCCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1
185088994	ZINC000096075396	ref	6.25	-9.52	0	265.382	2.124	0	4	2	CCN1C(=O)CCC12CCN(c1nccs1)CC2
398249297	ZINC000650870841	ref	1.8	-10.02	0	296.342	1.32	3	3	6	O=C(NC[C@@H]1OCCc2ccccc21)N[C@H](CO)CCF
343993997	ZINC000079911765	ref	3.89	-12.05	0	297.42	2.037	2	4	6	Cc1ccc(CCCC(=O)NCC2(O)CCOCC2)s1
365636588	ZINC000354709019	mid	7.17	-42.79	1	270.417	1.99	1	2	6	CC(C)OCCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1
365636594	ZINC000354709036	ref	8.53	-40.59	1	250.386	1.975	1	1	2	C[C@@H]1CN(C(=O)[C@@H]2CC23CCCC3)C[C@@H]1[NH+](C)C
365636601	ZINC000354709343	ref	3.21	-12.79	0	288.351	1.816	1	5	6	CCOC[C@@H](NC(=O)c1cnc2nccnc2c1)C(C)C
365636544	ZINC000172914419	ref	4.6	-18.71	0	294.301	1.487	2	2	6	C=CC(=O)NCCNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F
197593595	ZINC000162816084	ref	6.9	-7.3	0	307.781	4.014	1	5	5	COc1ccc(OC)c(Nc2cc(Cl)nc(C(C)C)n2)c1
214186272	ZINC000337627281	ref	7.97	-32.07	1	284.407	3.054	2	3	3	CCC1(C)CC[NH+](Cc2nc(N)c3ccccc3n2)CC1
365636557	ZINC000172914431	ref	4.51	-14.26	0	294.301	1.487	2	2	6	C=CC(=O)NCCNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F
365636566	ZINC000172907148	ref	5.15	-37.94	1	295.383	1.671	2	4	6	COCc1cc(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)no1
282122754	ZINC000151679762	ref	7.94	-15.82	0	324.446	2.438	1	4	5	CCc1oc(C(=O)N2CSC[C@H]2C(=O)NCC(C)C)cc1C
365636578	ZINC000172907148	mid	5.13	-36.44	1	295.383	1.671	2	4	6	COCc1cc(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)no1
365636585	ZINC000172912956	ref	6.35	-10.51	0	293.411	1.851	0	4	3	Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1
365636595	ZINC000172905154	ref	5.4	-9.7	0	268.342	1.687	1	7	5	COC[C@H](C)Sc1nnc(-c2ccoc2C)n1N
365636606	ZINC000172913862	ref	3.9	-17.38	0	289.335	1.461	1	3	3	COc1ccc(C(=O)N2CCCC2)cc1N1CCNC1=O
365636619	ZINC000172906901	ref	4.23	-9.71	0	281.352	1.861	1	4	8	COC[C@@H](C)C(=O)NC[C@@H](C)Oc1ccccc1OC
230730275	ZINC000450410180	ref	6.0	-11.69	0	318.356	1.103	0	6	3	CCn1nnc(C)c1C(=O)N1CCN(c2ccc(F)cn2)CC1
365636637	ZINC000172914381	ref	6.04	-12.24	0	264.325	1.292	1	4	6	CCOC(=O)CNc1ccc(CC(=O)N(C)C)cc1
230730281	ZINC000450411129	ref	8.14	-16.52	0	304.371	1.483	0	5	3	COC(=O)c1ccc(CC(=O)N2CCSC[C@H]2C#N)cc1
230730284	ZINC000450407142	ref	1.91	-49.63	-1	302.378	1.726	0	4	5	CC(C)c1n[n-]c(=N[C@H](Cc2ccccc2)C(=O)N(C)C)o1
365636645	ZINC000172905954	ref	5.45	-17.84	0	295.393	1.478	0	7	3	Cc1cc(N2CC[C@H](Sc3nncs3)C2=O)n(C)n1
365636657	ZINC000172908094	ref	6.08	-8.37	0	259.331	1.025	1	6	6	CCCOC(=O)[C@H](C)Sc1n[nH]c(=O)n1CC
282122762	ZINC000151681400	ref	7.27	-16.94	0	324.38	2.045	2	4	7	C[C@@H](NC(=O)COc1ccc(C#N)cc1)[C@H](O)Cc1ccccc1
342596126	ZINC000616967735	ref	3.24	-15.86	0	262.353	1.063	2	2	2	O=C(N[C@H]1CCNC1=O)C1C2CC3CC(C2)CC1C3
343995001	ZINC000566019426	ref	6.15	-58.01	1	248.301	1.633	1	1	2	CC(=O)N1CC([NH2+][C@H]2CCc3cc(F)ccc32)C1
365636667	ZINC000172909965	ref	4.8	-17.04	0	289.335	1.475	1	5	7	COc1ccccc1O[C@@H](C)CNC(=O)Cn1cccn1
365636682	ZINC000541114051	ref	5.25	-20.39	0	260.322	1.139	1	5	2	N#Cc1c(N[C@H]2CC[S@@](=O)C2)nc2ccccn12
214186275	ZINC000337627281	mid	5.5	-8.49	0	284.407	3.054	1	4	3	CCC1(C)CCN(Cc2nc(N)c3ccccc3n2)CC1
342596127	ZINC000616968110	ref	3.65	-19.03	0	298.346	1.107	2	4	3	Cc1ccc(-n2ncc(C(=O)N[C@@H]3CCNC3=O)c2C)cc1
214186278	ZINC000337626164	ref	2.51	-41.91	1	273.377	0.433	3	3	8	CC[NH+]1CCC(NC(=O)NCCOCCOC)CC1
214186282	ZINC000337626164	high	0.13	-10.64	0	273.377	0.433	2	4	8	CCN1CCC(NC(=O)NCCOCCOC)CC1
214186285	ZINC000337627877	ref	6.57	-39.98	1	265.361	0.743	2	4	6	CC[NH+](CC)CC(=O)N[C@H](C)c1nnc2n1CCC2
349534927	ZINC000618814248	ref	5.28	-23.41	0	273.34	1.153	0	5	4	CN(Cc1cn(C)nn1)C(=O)c1cccc(N(C)C)c1
214186288	ZINC000337627877	high	4.56	-12.61	0	265.361	0.743	1	5	6	CCN(CC)CC(=O)N[C@H](C)c1nnc2n1CCC2
214186291	ZINC000337626324	ref	3.65	-13.79	0	283.266	2.258	2	4	3	O=C(Nc1cccc(-c2c[nH]nn2)c1)c1ccc(F)cn1
214186295	ZINC000337626324	mid	3.6	-9.37	0	283.266	2.258	2	4	3	O=C(Nc1cccc(-c2cn[nH]n2)c1)c1ccc(F)cn1
342596128	ZINC000616967893	ref	3.86	-17.58	0	258.321	1.111	2	2	2	O=C1NCC[C@H]1NC(=O)[C@@H]1CCCc2ccccc21
299072230	ZINC000459274117	ref	5.09	-10.12	0	307.325	2.578	0	6	6	CCOC(=O)c1noc(CN(C)[C@H](C)c2ccc(F)cc2)n1
342596129	ZINC000616968154	ref	4.33	-16.52	0	290.407	1.988	2	2	2	C[C@@]12CC3CC(C(=O)N[C@H]4CCNC4=O)(C1)C[C@](C)(C3)C2
342596130	ZINC000616967688	ref	3.81	-16.47	0	276.311	1.252	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccc(F)cc2)CCC1
323004603	ZINC000566538127	mid	6.48	-35.62	1	239.359	1.914	1	2	2	C[C@@H]1C[C@@H]1C[N@H+]1CCOC2(CCOCC2)CC1
214186306	ZINC000337624942	ref	0.95	-10.06	0	262.35	0.452	2	4	10	CC(C)OCCCNC(=O)N(C)CCOCCO
190493810	ZINC000269434647	ref	7.18	-9.63	0	288.391	2.819	0	3	4	COC1CCC(N(C)C(=O)/C=C/c2cncc(C)c2)CC1
214186309	ZINC000337625859	ref	6.11	-7.81	0	278.318	3.207	2	1	3	O=C(NCC1CCC1)N[C@H]1CCC[C@H](C(F)(F)F)C1
214186313	ZINC000337624725	ref	2.41	-20.64	0	256.306	-0.467	2	5	8	CN(CCOCCO)C(=O)NCCn1ccnc1
214186316	ZINC000337624725	low	2.92	-44.95	1	256.306	-0.467	2	4	8	CN(CCOCCO)C(=O)NCCn1cc[nH+]c1
214186317	ZINC000337627660	ref	2.18	-23.56	0	258.318	-0.63	2	4	9	CN(CCOCCO)C(=O)CC(=O)NCC1CC1
214186319	ZINC000337625369	ref	2.16	-13.32	0	280.328	0.292	1	5	2	Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCOC3)CCO2)cn1
214186323	ZINC000337626583	ref	-1.09	-17.82	0	264.347	-0.102	2	4	5	C[C@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCOC1
365636549	ZINC000623069446	mid	3.82	-72.96	0	312.373	1.328	2	3	2	O=C(N[C@H]1CC[NH2+]C12CCCC2)c1nc2ccccc2c(=O)[n-]1
365636554	ZINC000623068151	ref	1.34	-53.52	1	304.35	1.426	2	5	8	COCc1nc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)no1
214186277	ZINC000293585556	low	2.88	-61.23	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@@H](O)C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1
398249298	ZINC000651464159	ref	8.57	-5.67	0	259.378	3.012	0	3	4	CCc1cccc(CN=c2nc(C3CC3)[n-]s2)c1
365636562	ZINC000623068547	ref	2.81	-66.4	1	306.395	1.067	2	5	3	CC(C)c1nnc(C(=O)N=c2ccn([C@H]3CC[NH2+]C3)[nH]2)s1
365636572	ZINC000623067945	ref	2.68	-55.19	1	307.398	1.039	3	4	5	COCCn1cc(NC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cn1
178302591	ZINC000237218596	ref	6.51	-60.58	-1	367.449	1.99	2	4	6	C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)CC1
343993998	ZINC000599268084	low	5.96	-47.93	1	299.33	1.658	1	5	3	COC(=O)c1cnc(C[N@@H+]2CCOc3ccccc3C2)cn1
343993999	ZINC000599268084	low	6.48	-48.08	1	299.33	1.658	1	5	3	COC(=O)c1cnc(C[N@H+]2CCOc3ccccc3C2)cn1
398249302	ZINC000651464159	low	8.57	-5.67	0	259.378	3.012	1	4	5	CCc1cccc(CNc2nc(C3CC3)ns2)c1
343994001	ZINC000599269824	ref	4.95	-13.37	0	293.429	1.931	1	4	9	CCOC(=O)C[C@@H](C)CNS(=O)(=O)CC(C)(C)CC
343994002	ZINC000599270748	ref	4.23	-11.38	0	257.337	1.577	1	3	3	CNC(=O)[C@H]1CCCN1Cc1ccc(C)c(C#N)c1
343994003	ZINC000599270748	mid	6.72	-47.43	1	257.337	1.577	2	2	3	CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)c(C#N)c1
398249305	ZINC000651462657	ref	5.97	-47.79	1	291.42	3.351	2	3	4	Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1
365636582	ZINC000623069515	ref	1.04	-45.09	1	320.212	1.014	2	4	3	O=C(NC[C@H]1C[NH2+]CCCO1)c1ncc(Br)s1
365636589	ZINC000623067981	ref	6.44	-54.35	1	319.796	1.697	1	4	2	C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365636598	ZINC000623069494	ref	6.39	-43.35	1	321.812	1.991	2	4	5	C[C@@H](C[C@@H](C)[NH3+])NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365636607	ZINC000623068036	ref	2.96	-52.98	1	304.213	1.715	1	3	2	C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ncc(Br)s1
365636613	ZINC000623069492	ref	5.34	-46.28	1	321.812	1.991	2	4	5	C[C@H]([NH3+])C[C@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
282122757	ZINC000424474977	low	6.63	-41.42	0	308.382	1.616	1	6	7	CCC(CC)(CNc1cc(N2CCOCC2)nc[nH+]1)C(=O)[O-]
343994004	ZINC000599270748	mid	6.18	-44.07	1	257.337	1.577	2	2	3	CNC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C)c(C#N)c1
365636551	ZINC000576596931	ref	6.54	-53.45	1	232.327	1.569	1	1	4	CCc1cccc(C[NH2+]C2CN(C(C)=O)C2)c1
365636560	ZINC000576596931	mid	5.17	-8.92	0	232.327	1.569	1	2	4	CCc1cccc(CNC2CN(C(C)=O)C2)c1
230730295	ZINC000414304113	ref	9.94	-18.98	0	300.337	3.04	1	4	4	CCn1[nH]c(C)nc1=NCc1ccc(-c2ccccc2F)o1
365636567	ZINC000576598792	ref	5.04	-33.26	1	231.221	2.092	0	3	1	Cc1ncc(C)c(N2CC(C(F)(F)F)C2)n1
365636571	ZINC000576598792	low	5.04	-33.26	1	231.221	2.092	0	2	1	Cc1nc(N2CC(C(F)(F)F)C2)c(C)c[nH+]1
365636576	ZINC000576597870	ref	-1.25	-10.56	0	225.31	-0.335	1	4	7	CC[C@H](CS(=O)(=O)N(C)CCO)OC
365636581	ZINC000576597453	ref	6.15	-50.63	1	247.264	2.634	1	2	4	Cc1ncncc1[C@H](C)[NH2+]C[C@H](C)C(F)(F)F
365636586	ZINC000576597453	high	5.0	-5.34	0	247.264	2.634	1	3	4	Cc1ncncc1[C@H](C)NC[C@H](C)C(F)(F)F
365636592	ZINC000576596523	ref	9.99	-41.39	1	223.364	2.475	1	2	8	CCC[NH+](CCC)CCCc1cncn1C
365636597	ZINC000576596523	mid	10.5	-84.86	2	223.364	2.475	1	1	8	CCC[NH+](CCC)CCCc1c[nH+]cn1C
365636602	ZINC000576596399	ref	8.21	-10.65	0	249.354	3.168	0	2	3	CC[C@@H]1CC[C@H](C)N(C(=O)Cc2ccc(C)o2)C1
398249300	ZINC000650873545	ref	3.93	-21.76	0	288.413	1.538	1	3	4	CCS(=O)(=O)C[C@@H](C)NC(=O)N1CCC12CCCC2
398249303	ZINC000650874083	ref	4.27	-12.92	0	292.379	1.576	2	3	6	C[C@@H](CCO)N(C)C(=O)NCCc1ccc2c(c1)CCO2
365636609	ZINC000576596711	ref	2.45	-17.31	0	242.3	-0.387	1	4	2	CN1C(=O)C[C@@H](NC(=O)[C@@H]2CCSC2)C1=O
365636615	ZINC000576596709	ref	2.4	-16.04	0	242.3	-0.387	1	4	2	CN1C(=O)C[C@H](NC(=O)[C@H]2CCSC2)C1=O
365636621	ZINC000576599344	ref	1.3	-95.17	2	240.351	-0.025	3	1	2	C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C[NH3+]
365636625	ZINC000576597362	ref	5.45	-51.37	1	244.294	2.264	1	3	4	C1=C(C[NH2+]Cc2noc3ccccc23)COCC1
365636630	ZINC000576597362	mid	4.1	-9.19	0	244.294	2.264	1	4	4	C1=C(CNCc2noc3ccccc23)COCC1
365636635	ZINC000576599868	ref	-2.3	-44.17	0	233.318	-0.217	2	4	3	O=S(=O)(N[C@H]1CC[NH2+]C1)c1cscn1
365636642	ZINC000576599868	high	-2.3	-44.17	0	233.318	-0.217	1	4	3	O=S(=O)([N-][C@H]1CC[NH2+]C1)c1cscn1
365636648	ZINC000576597385	ref	7.26	-16.22	0	243.31	2.267	0	3	2	CC[C@@H]1CCN1C(=O)c1ccn2c(C)cnc2c1
365636653	ZINC000576597385	low	7.75	-33.46	1	243.31	2.267	0	2	2	CC[C@@H]1CCN1C(=O)c1ccn2c(C)c[nH+]c2c1
365636660	ZINC000576599107	ref	7.01	-32.23	1	224.392	2.497	2	0	5	C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCC12CC2
365636664	ZINC000576599107	mid	7.01	-32.23	1	224.392	2.497	1	1	5	CN(C)CC(C)(C)C[NH2+][C@@H]1CCCC12CC2
398249473	ZINC000650871799	ref	4.1	-8.45	0	270.373	1.622	1	3	3	CC[C@@H]1CN(C(=O)NC[C@]2(C)CCOC2)[C@@H](C)CO1
214186279	ZINC000293585556	low	3.16	-62.04	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1
214186284	ZINC000293589772	ref	8.86	-17.19	0	359.312	0.876	1	7	2	Cc1nc(C(=O)N2C[C@@H](C(F)(F)F)OC(C)(C)C2)nn1-c1nc[nH]n1
214186289	ZINC000293600174	ref	1.75	-14.54	0	355.338	0.966	0	6	2	Cn1cc(S(=O)(=O)N2CCCC3(C2)OCCO3)c(C(F)(F)F)n1
214186292	ZINC000293591552	ref	0.63	-9.32	0	362.167	0.956	2	4	4	O=C(NC[C@H]1CC[C@@H](CO)O1)c1cncc(I)c1
342079366	ZINC000608862648	ref	8.58	-41.95	1	282.384	1.272	1	3	8	COC(=O)[C@H](C)C[N@H+](CCCN1CCCC1=O)C1CC1
214186302	ZINC000293596509	ref	-0.28	-22.31	0	355.42	0.264	2	7	8	CCCc1nc(C)c(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)o1
214186304	ZINC000293596509	high	-0.66	-56.49	-1	355.42	0.264	1	7	8	CCCc1nc(C)c(CNC(=O)C[N-]S(=O)(=O)c2cn(C)cn2)o1
214186310	ZINC000293598965	ref	3.45	-22.03	0	366.443	0.536	1	5	5	CN(C(=O)c1ccnc(NC(=O)C2CC2)c1)[C@@H]1CCN(S(C)(=O)=O)C1
214186314	ZINC000293596785	ref	1.52	-46.35	1	373.457	0.124	4	4	4	C[N@@H+]1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1(C)C
214186320	ZINC000293596785	mid	1.21	-44.79	1	373.457	0.124	4	4	4	C[N@H+]1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1(C)C
214186322	ZINC000293596785	high	-1.03	-15.48	0	373.457	0.124	3	5	4	CN1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)CNC3=O)CC1(C)C
214186327	ZINC000293598276	ref	4.74	-16.64	0	374.441	0.541	1	5	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1
214186331	ZINC000293586354	ref	4.11	-14.53	0	357.407	0.981	1	4	4	CN(c1ccccc1NC(=O)C(=O)N1CCC[C@@H]1CF)S(C)(=O)=O
214186336	ZINC000293599168	ref	8.76	-28.08	0	357.414	0.483	0	6	5	CN(C(=O)[C@H]1CCN(C(=O)CCn2ncn(C)c2=O)C1)c1ccccc1
214186339	ZINC000293592030	ref	10.65	-21.55	0	360.414	0.954	0	7	9	COC(=O)CCCN(Cc1ccccc1)C(=O)CCn1ncn(C)c1=O
214186345	ZINC000293587216	ref	5.21	-17.97	0	367.446	0.917	1	5	2	CNC(=O)[C@@H]1CN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)CCO1
214186350	ZINC000293600030	ref	2.6	-16.89	0	372.429	0.966	3	7	5	CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@@H]2C)c1
214186353	ZINC000293586153	ref	3.47	-13.89	0	360.393	0.834	1	6	5	CCn1nncc1C(=O)N1CCN(CC(=O)Nc2ccccc2F)CC1
342079367	ZINC000608862648	mid	8.51	-39.35	1	282.384	1.272	1	3	8	COC(=O)[C@H](C)C[N@@H+](CCCN1CCCC1=O)C1CC1
365636568	ZINC000274363059	ref	1.08	-7.97	0	299.396	1.133	2	5	4	Cc1ncc(CNC(=O)N2CCOC[C@@H]2C[C@@H](C)O)s1
365636577	ZINC000274363479	ref	3.69	-15.68	0	266.301	1.33	2	5	4	CC(C)(C)OC(=O)CCNC(=O)Nc1cncnc1
365636584	ZINC000274362469	ref	3.03	-35.1	1	297.362	1.211	1	4	3	Cc1cc(N2CCN(c3ncccc3C(N)=O)CC2)cc[nH+]1
282122763	ZINC000424474977	low	6.4	-51.06	0	308.382	1.616	1	6	7	CCC(CC)(CNc1cc(N2CCOCC2)[nH+]cn1)C(=O)[O-]
282122772	ZINC000124653778	ref	8.44	-50.83	-1	291.307	2.769	1	6	7	CCC(CC)(CNc1cc(C#N)ccc1[N+](=O)[O-])C(=O)[O-]
282122790	ZINC000128774406	ref	7.83	-7.7	0	278.327	3.089	1	4	6	CCC(CC)(CNc1cccc(F)c1C#N)C(=O)OC
365636593	ZINC000274362313	ref	3.91	-48.07	1	293.371	1.099	3	4	6	COCCC[NH+]1CCC(NC(=O)Nc2cncnc2)CC1
365636596	ZINC000274362313	high	1.53	-11.23	0	293.371	1.099	2	5	6	COCCCN1CCC(NC(=O)Nc2cncnc2)CC1
230730320	ZINC000450409872	ref	5.14	-12.37	0	312.454	1.938	2	3	9	CC(=O)NC[C@H](CC(=O)N1CCC[C@H]1CCCO)CC(C)C
282122803	ZINC000263067282	ref	5.95	-57.54	-1	281.312	2.48	2	6	7	CCC(CC)(CNc1cc(N)ccc1[N+](=O)[O-])C(=O)[O-]
282122815	ZINC000424377087	ref	3.58	-62.63	-1	345.377	1.545	2	7	8	CCC(CC)(CNc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C(=O)[O-]
282122821	ZINC000424380316	ref	4.91	-48.07	-1	342.461	2.957	1	6	7	CCC(CC)(CNc1ccc(S(=O)(=O)C(C)(C)C)nc1)C(=O)[O-]
282122844	ZINC000424372803	ref	5.18	-48.23	-1	336.436	2.131	2	7	8	CCC(CC)(CNc1cc(N2CCCC[C@@H]2CO)ncn1)C(=O)[O-]
365636603	ZINC000274362732	ref	2.71	-13.85	0	295.408	1.951	3	3	5	CNC(=O)CCCNC(=O)N[C@@H]1CCCc2sccc21
365636610	ZINC000274360529	ref	5.08	-11.59	0	280.755	1.648	1	2	3	CNC(=O)C1CN(C(=O)[C@@H](C)c2cccc(Cl)c2)C1
365636616	ZINC000274363652	ref	4.85	-35.99	1	267.348	1.375	1	3	6	CCOCC[NH+]1CCN(Cc2cncc(F)c2)CC1
230730344	ZINC000450409853	ref	3.79	-9.4	0	316.199	1.728	1	4	4	CO[C@@H]1CCC[C@@H]1CNC(=O)c1c(Br)cnn1C
178302594	ZINC000019737143	ref	5.96	-46.63	-1	234.255	1.781	1	4	4	Cc1cc2nc(COCC(=O)[O-])[nH]c2cc1C
365636623	ZINC000274363652	mid	2.54	-4.37	0	267.348	1.375	0	4	6	CCOCCN1CCN(Cc2cncc(F)c2)CC1
365636629	ZINC000274362738	ref	3.5	-52.46	-1	292.291	1.383	2	5	5	COc1cc2c(cc1NC(=O)CCC(=O)[O-])NC(=O)CC2
259308333	ZINC000089161381	ref	6.7	-41.16	1	247.382	2.758	2	1	6	C[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CCC[C@@H]1O
365636636	ZINC000274363097	ref	2.28	-13.24	0	299.281	1.57	1	6	5	CCc1nn(C)cc1NC(=O)c1cc(OC(F)F)n(C)n1
282122766	ZINC000449154316	ref	4.2	-45.95	1	296.386	2.035	1	3	6	COc1cc(F)cc(C[NH2+]CC2(N(C)C)CCOCC2)c1
282122769	ZINC000449154316	mid	4.88	-35.92	1	296.386	2.035	2	3	6	COc1cc(F)cc(CNCC2([NH+](C)C)CCOCC2)c1
365636570	ZINC000336554022	mid	7.9	-41.67	1	277.412	2.393	1	3	3	Cc1cc(C)n(CC[N@H+]2CCC[C@@]3(CCCOC3)C2)n1
365636575	ZINC000336552956	ref	3.34	-3.92	0	267.394	2.427	1	4	3	OC1(CN2CCO[C@H](c3ccsc3)C2)CCCC1
365636579	ZINC000336552956	mid	5.5	-35.06	1	267.394	2.427	2	3	3	OC1(C[N@@H+]2CCO[C@H](c3ccsc3)C2)CCCC1
365636587	ZINC000336552956	mid	5.1	-35.56	1	267.394	2.427	2	3	3	OC1(C[N@H+]2CCO[C@H](c3ccsc3)C2)CCCC1
365636591	ZINC000336551900	ref	9.24	-14.09	0	298.386	2.39	0	2	2	CC1=C[C@@H](C)CN(C(=O)CN2C(=O)CCc3ccccc32)C1
365636600	ZINC000336552918	ref	4.15	-4.85	0	252.383	2.243	0	4	3	CN(Cc1nc2c(s1)CCCC2)[C@H]1CCOC1
365636608	ZINC000336552918	low	6.19	-36.51	1	252.383	2.243	1	3	3	C[N@H+](Cc1nc2c(s1)CCCC2)[C@H]1CCOC1
365636614	ZINC000336552918	low	6.43	-35.13	1	252.383	2.243	1	3	3	C[N@@H+](Cc1nc2c(s1)CCCC2)[C@H]1CCOC1
365636620	ZINC000336552640	ref	6.65	-35.18	1	275.392	2.399	2	2	2	COc1ccc2c(c1)CC[N@H+]([C@@H]1CCCC[C@@H]1O)CC2
365636626	ZINC000336552640	mid	6.64	-35.15	1	275.392	2.399	2	2	2	COc1ccc2c(c1)CC[N@@H+]([C@@H]1CCCC[C@@H]1O)CC2
365636631	ZINC000336553179	ref	5.13	-37.52	1	262.378	2.466	2	3	3	CC(C)(O)C[NH+]1CC(c2nc3ccccc3s2)C1
185088999	ZINC000096075953	ref	4.56	-40.05	1	275.352	1.018	1	3	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1cccnc1)C2
365636638	ZINC000336553179	mid	2.58	-5.94	0	262.378	2.466	1	4	3	CC(C)(O)CN1CC(c2nc3ccccc3s2)C1
365636644	ZINC000336552238	ref	5.3	-14.47	0	288.347	2.326	2	3	2	CC1(C)CC[C@H](NC(=O)c2cccc3c2OCC(=O)N3)C1
365636651	ZINC000336553162	ref	4.22	-28.11	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c(C)s1
365636656	ZINC000336553162	mid	4.65	-30.25	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c(C)s1
365636662	ZINC000336553162	mid	2.99	-6.28	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@@H](C)[C@H]2CO)c(C)s1
349534928	ZINC000093274565	low	1.78	-42.31	1	276.344	0.727	2	5	4	Cc1nc(CN2CC[NH+](Cc3c[nH]nc3C)CC2)no1
365636668	ZINC000336551862	ref	8.75	-15.54	0	270.336	2.042	1	4	3	CCc1cccc(NC(=O)[C@H]2CCc3nncn3C2)c1
365636674	ZINC000336552856	ref	6.03	-32.38	1	252.383	2.452	1	3	2	Cc1csc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)n1
365636679	ZINC000336552856	mid	5.35	-32.29	1	252.383	2.452	1	3	2	Cc1csc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)n1
214186296	ZINC000053509137	ref	6.47	-15.57	0	330.359	3.824	2	3	5	CC(=O)Nc1ccc(F)c(C(=O)Nc2ccccc2OC(C)C)c1
214186303	ZINC000053506763	ref	5.43	-8.93	0	337.851	2.346	1	3	4	O=C(NC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1
214186307	ZINC000053506763	low	7.65	-48.59	1	337.851	2.346	2	2	4	O=C(NC[C@@H]1CCCO1)N1CC[NH+](Cc2ccc(Cl)cc2)CC1
178305402	ZINC000042290515	ref	7.75	-51.15	1	229.327	2.578	1	2	1	Cc1cc2ncn([C@@H]3CCC[NH2+]C3)c2cc1C
214186312	ZINC000053507138	ref	4.68	-10.84	0	333.432	1.572	1	4	6	O=C(NC[C@H]1CCCO1)N1CCN(CCOc2ccccc2)CC1
214186318	ZINC000053507138	low	6.93	-46.1	1	333.432	1.572	2	3	6	O=C(NC[C@H]1CCCO1)N1CC[NH+](CCOc2ccccc2)CC1
214186325	ZINC000053493776	ref	3.08	-19.55	0	333.388	1.426	2	4	3	C[C@@H](NC(=O)N1CCC(C(N)=O)CC1)c1ccc2c(c1)OCCO2
214186330	ZINC000053496049	ref	7.22	-32.67	1	333.339	4.109	1	2	7	CCC(C)(C)[NH2+]C[C@@H](C)N(C)Cc1cc(Br)cs1
214186334	ZINC000053513775	ref	10.33	-43.26	1	349.478	3.638	3	1	4	O=C(NC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCc2ccccc21
214186338	ZINC000053513775	high	7.97	-10.05	0	349.478	3.638	2	2	4	O=C(NC1CCN(Cc2ccccc2)CC1)N[C@@H]1CCc2ccccc21
214186342	ZINC000053496445	ref	4.71	-50.58	-1	327.134	1.111	0	4	3	CO[N-]C(=O)[C@@H](C)N1C(=O)c2ccc(Br)cc2C1=O
214186349	ZINC000053494939	ref	4.9	-14.81	0	331.416	2.053	2	3	5	COc1ccc([C@H](NC(=O)N2CCC(C(N)=O)CC2)C2CC2)cc1
214186352	ZINC000053493805	ref	4.71	-15.66	0	333.432	2.061	2	3	7	C[C@H](OCCCNC(=O)N1CCC(C(N)=O)CC1)c1ccccc1
214186356	ZINC000053493885	ref	4.43	-9.97	0	332.404	0.565	2	3	3	CC(C)NC(=O)C(=O)N1CCN(C(=O)NCc2ccccc2)CC1
398249304	ZINC000649443264	ref	7.13	-42.89	1	231.339	3.241	1	1	2	CC(C)(C)Oc1ccc(C2=CC[NH2+]CC2)cc1
214186364	ZINC000053498512	ref	6.55	-39.94	1	329.282	2.896	1	2	9	COCCC[NH2+]C[C@@H](C)N(C)Cc1ccc(Br)cc1
214186367	ZINC000053498512	low	8.16	-125.72	2	329.282	2.896	2	1	9	COCCC[NH2+]C[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1
214186370	ZINC000053498512	low	8.14	-122.56	2	329.282	2.896	2	1	9	COCCC[NH2+]C[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1
398249307	ZINC000649443233	ref	6.98	-48.06	1	241.29	3.012	1	2	2	CC(=O)c1cc2cc(C3=CC[NH2+]CC3)ccc2o1
192339891	ZINC000273863661	mid	4.7	-10.34	0	293.367	1.025	0	5	7	CCOCCOC1CN(C(=O)c2cnccc2N(C)C)C1
192339895	ZINC000273862169	ref	4.62	-9.14	0	280.368	2.341	1	4	3	Cc1noc(C(C)C)c1C(=O)N1CCC(C)(CO)CC1
365636583	ZINC000625076872	ref	5.24	-10.29	0	313.394	2.081	0	3	2	CC1(C)C[C@H](S(=O)(=O)N2CCc3ccc(F)cc3C2)CO1
365636590	ZINC000625078565	ref	4.17	-10.53	0	312.435	2.086	0	4	4	CN(C)c1ccccc1N(C)S(=O)(=O)[C@H]1COC(C)(C)C1
365636599	ZINC000625078530	ref	8.36	-10.52	0	320.437	2.197	0	6	6	CN(CC1(C)COC1)c1nnc(C2CCC2)n1C[C@H]1CCCO1
230730356	ZINC000414303254	ref	6.22	-38.36	1	316.449	3.022	2	4	7	CC[C@H]([NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C)[C@H](O)C(C)C
230730359	ZINC000414303254	mid	5.44	-10.88	0	316.449	3.022	2	5	7	CC[C@H](N[C@@H](C)c1nnn(-c2ccccc2)c1C)[C@H](O)C(C)C
365636604	ZINC000625079461	ref	4.73	-11.51	0	319.373	2.197	1	3	3	Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(C)(C)O)c(F)c1F
365636611	ZINC000625076544	ref	7.8	-16.55	0	318.417	2.026	1	3	6	Cc1ccccc1CO[C@@H](C)C(=O)N[C@H]1CC(=O)N(C(C)C)C1
365636618	ZINC000625076938	ref	4.39	-8.84	0	312.373	2.334	2	5	4	CCc1cccc2c1OCC[C@H]2NC(=O)c1cnc(NC)cn1
365636627	ZINC000625077292	ref	8.66	-12.51	0	314.38	2.493	0	5	3	Cc1nnc(N2C[C@H](C)C(F)(F)[C@H](C)C2)n1C[C@H]1CCCO1
365636633	ZINC000625076971	ref	3.59	-13.22	0	322.43	2.197	2	3	5	CC1(C)C[C@H](S(=O)(=O)NCCc2cc3ccccc3[nH]2)CO1
365636643	ZINC000625076775	ref	8.4	-11.35	0	322.453	2.128	0	6	7	CC(C)Cc1nnc(N(C)CC2(C)COC2)n1C[C@H]1CCCO1
365636650	ZINC000625077480	ref	5.58	-14.23	0	316.401	2.103	2	3	4	CCc1cccc2c1OCC[C@@H]2NC(=O)[C@@H](C)[C@H]1CCC(=O)N1
365636659	ZINC000625078989	ref	5.43	-12.03	0	324.352	2.415	0	3	2	Cc1ccc(S(=O)(=O)N2CCc3ncccc3C2)c(F)c1F
365636669	ZINC000625076954	ref	6.15	-9.1	0	312.373	2.429	1	5	4	CCc1cccc2c1OCC[C@@H]2NC(=O)c1cn(C2CC2)nn1
365636677	ZINC000625075827	ref	7.78	-16.6	0	318.417	2.026	1	3	6	Cc1ccc(CO[C@@H](C)C(=O)N[C@H]2CC(=O)N(C(C)C)C2)cc1
365636688	ZINC000625077281	ref	2.0	-6.42	0	303.337	2.198	0	5	4	COc1cncc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1
230730394	ZINC000414303697	ref	7.54	-39.71	1	317.404	3.131	2	2	8	COc1ccc(C[C@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)cc1
365636696	ZINC000625076644	ref	5.51	-14.72	0	307.316	2.216	0	4	7	CCCN(CC(F)(F)F)C(=O)CN(C)Cc1cc(C)on1
365636704	ZINC000625077327	ref	8.29	-13.92	0	300.353	2.391	0	5	3	Cc1nnc(N2CCCC(F)(F)CC2)n1C[C@@H]1CCCO1
365636711	ZINC000625077283	ref	2.75	-6.71	0	303.337	2.198	0	5	4	COc1cncc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1
398249476	ZINC000390801112	ref	2.89	-49.52	1	214.309	0.479	1	2	3	COC[C@H](C)C(=O)N1CC[NH2+]CC1(C)C
365636605	ZINC000354708665	ref	2.03	-9.33	0	282.344	1.461	1	5	5	COc1nn(C)cc1NC(=O)N(C)CC[C@H]1CCCO1
365636612	ZINC000354708785	ref	4.02	-45.1	1	295.427	1.186	3	2	5	C[C@@H]1[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCC[C@H]1C
365636617	ZINC000354708273	ref	4.58	-8.29	0	287.425	1.689	1	4	7	O=C(NCCCOC[C@H]1CCOC1)[C@@H]1CCCSC1
365636624	ZINC000354708612	ref	-0.46	-10.08	0	250.258	1.343	2	5	4	COc1nn(C)cc1NC(=O)NCc1ccoc1
365636632	ZINC000354709167	ref	6.02	-9.87	0	277.386	1.391	0	4	9	CCOC(=O)CCS(=O)(=O)N(CC)CCC1CC1
365636639	ZINC000354709464	ref	2.25	-11.07	0	262.419	1.836	3	3	9	CC(C)SCCNC(=O)NCCC[C@H](C)CO
365636649	ZINC000354708875	ref	5.65	-19.81	0	291.416	1.918	1	2	2	C[C@]1(C(=O)N[C@@H]2CC[S@@](=O)C2)CCCc2ccccc21
365636655	ZINC000354708367	ref	3.29	-9.81	0	291.395	1.881	0	5	4	COc1c(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(C)nn1C
365636661	ZINC000354708367	low	5.88	-32.9	1	291.395	1.881	1	4	4	COc1c(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(C)nn1C
178302596	ZINC000237218596	mid	6.51	-60.58	-1	367.449	1.99	1	5	6	CN1CCN(Cc2cccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)c2)CC1
178302598	ZINC000237204715	ref	4.48	-48.27	1	355.416	1.507	1	5	5	COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365636665	ZINC000354708367	low	6.29	-35.55	1	291.395	1.881	1	4	4	COc1c(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)c(C)nn1C
365636672	ZINC000354708478	ref	-0.42	-9.81	0	272.389	1.388	4	3	6	C[C@H](CO)CCCNC(=O)N[C@H]1CCCCC[C@H]1O
365636681	ZINC000354709875	ref	3.18	-8.23	0	282.34	1.787	1	5	5	COC(=O)[C@H](C)CC(=O)NCc1ncc(C(C)(C)C)o1
282122767	ZINC000533471208	ref	4.59	-12.22	0	291.395	1.815	2	3	4	C[C@H](Cc1ccncc1)NC(=O)N1CCC[C@H]([C@@H](C)O)C1
365636687	ZINC000354708847	ref	5.98	-10.62	0	257.284	1.999	0	3	4	Cc1nn(CC(F)F)c(C)c1C(=O)N(C)C1CC1
365636694	ZINC000354709873	ref	4.69	-44.07	1	297.443	1.72	3	2	10	CCCC[C@H](CCC)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
199273063	ZINC000294963850	ref	2.18	-15.17	0	290.367	1.427	2	3	4	C=CC(C)(C)C(=O)N1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1
365636699	ZINC000354708330	ref	3.3	-16.44	0	297.424	1.451	1	4	3	CCc1c(C(=O)N[C@@H]2CC[S@](=O)C2)cnn1C(C)(C)C
365636707	ZINC000354708338	ref	3.95	-39.3	1	287.4	1.485	2	4	8	COC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)C1CCCCC1
365636715	ZINC000354708338	high	2.73	-3.84	0	287.4	1.485	2	5	8	COC[C@](C)(CC(=O)OC)NC[C@H](O)C1CCCCC1
365636726	ZINC000354708277	ref	4.57	-8.2	0	287.425	1.689	1	4	7	O=C(NCCCOC[C@@H]1CCOC1)[C@@H]1CCCSC1
365636622	ZINC000623068305	ref	4.06	-50.34	1	317.393	1.171	2	5	8	COCc1nc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)n(C)n1
365636628	ZINC000623069017	ref	1.59	-49.49	1	304.213	1.763	2	3	3	[NH3+]C[C@H]1CC[C@H](NC(=O)c2ncc(Br)s2)C1
365636634	ZINC000623069491	ref	5.34	-46.17	1	321.812	1.991	2	4	5	C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
178302599	ZINC000045237254	ref	2.72	-8.36	0	222.313	2.317	2	4	3	Cc1cc2nc(NCCO)sc2cc1C
365636640	ZINC000623068903	ref	2.85	-43.99	1	313.81	1.915	2	4	7	COCC[NH2+]CCNC(=O)c1nc2cc(Cl)ccc2s1
365636647	ZINC000623068903	high	1.51	-7.01	0	313.81	1.915	2	5	7	COCCNCCNC(=O)c1nc2cc(Cl)ccc2s1
365636654	ZINC000623068253	ref	7.03	-54.43	1	311.389	1.385	2	4	3	O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ncn(-c2ccccc2)n1
365636663	ZINC000623068515	ref	0.27	-65.54	1	315.255	1.748	3	4	4	[NH3+]C[C@@H](NC(=O)Nc1ccc(-c2ncon2)cc1)C(F)(F)F
365636670	ZINC000623068515	high	-0.35	-14.72	0	315.255	1.748	3	5	4	NC[C@@H](NC(=O)Nc1ccc(-c2ncon2)cc1)C(F)(F)F
365636676	ZINC000623067985	ref	5.25	-51.49	1	314.389	1.682	2	4	8	CCn1cc(C(=O)C(=O)N[C@H](CCC[NH3+])c2ccccc2)cn1
365636685	ZINC000623069516	ref	1.36	-45.16	1	320.212	1.014	2	4	3	O=C(NC[C@@H]1C[NH2+]CCCO1)c1ncc(Br)s1
365636693	ZINC000623068952	ref	-0.52	-5.94	0	300.128	1.229	2	4	4	NCC(F)(F)CNC(=O)c1ncc(Br)s1
365636698	ZINC000623068952	mid	-0.14	-48.96	1	300.128	1.229	2	3	4	[NH3+]CC(F)(F)CNC(=O)c1ncc(Br)s1
365636702	ZINC000623068659	ref	0.35	-54.05	1	313.361	1.945	3	4	3	COc1ccc(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)cn1
365636710	ZINC000623068254	ref	7.2	-52.77	1	311.389	1.385	2	4	3	O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ncn(-c2ccccc2)n1
365636716	ZINC000623067984	ref	5.26	-51.46	1	314.389	1.682	2	4	8	CCn1cc(C(=O)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cn1
365636722	ZINC000623068037	ref	2.93	-53.04	1	304.213	1.715	1	3	2	C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ncc(Br)s1
230730411	ZINC000425460298	ref	4.11	-9.27	0	309.316	2.451	0	5	5	FC(F)c1noc(CN2CCO[C@H](Cc3ccccc3)C2)n1
365636730	ZINC000623068033	ref	6.02	-44.77	1	313.405	1.902	2	4	7	Cn1nc(C2CC2)nc1C(=O)N[C@H](CCC[NH3+])c1ccccc1
398249477	ZINC000381269814	ref	-0.63	-50.85	1	210.281	0.862	1	4	2	Cc1noc([C@H](C)N2CCC[C@H]([NH3+])C2)n1
365636740	ZINC000623069395	ref	1.32	-51.72	1	316.361	1.019	3	3	2	C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@@H]1C[NH3+]
365639252	ZINC000343905785	low	5.23	-30.74	1	246.318	1.369	2	4	4	CCc1nc(N[C@H](C)c2n[nH]c(C)n2)cc(C)[nH+]1
230730406	ZINC000450411346	ref	4.96	-12.25	0	317.393	1.325	1	6	7	CO[C@H]1CCC[C@@H]1CNC(=O)c1ccn(CCn2cccn2)n1
365636641	ZINC000274363931	ref	7.48	-11.45	0	297.424	1.853	1	6	8	CCC[C@H](NCCc1cn2c(n1)SCC2)C(=O)OCC
365636646	ZINC000274363931	low	8.39	-41.74	1	297.424	1.853	1	5	8	CCC[C@H]([NH2+]CCc1cn2c(n1)SCC2)C(=O)OCC
365636652	ZINC000274361102	ref	2.29	-14.96	0	296.277	1.389	1	5	6	Cn1nc(C(=O)NCCc2ccncc2)cc1OC(F)F
365636658	ZINC000274360687	ref	4.48	-12.62	0	263.297	1.263	0	4	4	COc1ccc(CN2C(=O)CN(C(C)C)C2=O)nc1
365636666	ZINC000274362338	ref	4.78	-45.46	1	263.345	1.33	3	3	5	CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cncnc2)C1
365636673	ZINC000274362338	mid	4.75	-45.09	1	263.345	1.33	3	3	5	CCC[N@H+]1CC[C@H](CNC(=O)Nc2cncnc2)C1
342596131	ZINC000616967712	ref	4.37	-15.98	0	272.348	1.421	2	2	3	Cc1cccc(C2(C(=O)N[C@H]3CCNC3=O)CCC2)c1
365636678	ZINC000274363061	ref	0.64	-8.26	0	299.396	1.133	2	5	4	Cc1ncc(CNC(=O)N2CCOC[C@H]2C[C@@H](C)O)s1
342596132	ZINC000616968162	ref	1.39	-18.5	0	287.241	1.027	2	3	2	Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1CCNC1=O
342596133	ZINC000616967908	ref	1.59	-15.72	0	277.305	1.021	2	5	3	O=C(N[C@H]1CCNC1=O)c1cc(-c2cccs2)on1
197593612	ZINC000162819511	ref	5.7	-16.15	0	321.421	3.216	3	3	7	CO[C@@H](C)C(=O)Nc1cccc(NC(=O)N[C@@H](C)CC(C)C)c1
365636683	ZINC000274360606	ref	2.99	-23.8	0	298.408	1.562	1	4	7	CC[C@H](C)NC(=O)C[S@@](=O)Cc1cc(OC)cc(C)n1
342596134	ZINC000616967814	ref	4.5	-18.67	0	283.331	1.155	2	3	4	O=C(N[C@H]1CCNC1=O)c1cccn1Cc1ccccc1
365636692	ZINC000274362085	ref	5.38	-9.36	0	293.411	1.964	2	3	2	Cn1ccc(CNC(=O)N2CC[C@@H](C(C)(C)C)[C@@H](O)C2)c1
365636697	ZINC000274362339	ref	4.72	-45.59	1	263.345	1.33	3	3	5	CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cncnc2)C1
282122768	ZINC000151680325	ref	6.42	-15.21	0	310.35	2.394	1	5	8	CCOc1ccc(C(=O)N[C@H](COC)C(C)C)cc1[N+](=O)[O-]
282122776	ZINC000151664441	ref	6.38	-15.94	0	316.401	2.008	1	3	6	CCN(C(=O)CCC(C)(C)c1ccccc1)[C@H]1CC(=O)NC1=O
342596135	ZINC000616968161	ref	1.39	-18.85	0	287.241	1.027	2	3	2	Cc1nc(C(F)(F)F)ccc1C(=O)N[C@@H]1CCNC1=O
282122785	ZINC000151681605	ref	8.02	-11.2	0	304.346	2.296	0	4	5	COCCC1(C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)CC1
323004604	ZINC000566538129	ref	6.66	-39.2	1	239.359	1.914	1	2	2	C[C@H]1C[C@@H]1C[N@@H+]1CCOC2(CCOCC2)CC1
342596136	ZINC000616967744	ref	3.1	-23.57	0	282.727	1.112	2	3	4	C[C@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
365636671	ZINC000576596915	ref	2.56	-47.75	1	209.293	1.208	2	3	6	Cc1ncncc1[C@@H](C)[NH2+]CCCCO
365636675	ZINC000576596915	high	1.53	-6.76	0	209.293	1.208	2	4	6	Cc1ncncc1[C@@H](C)NCCCCO
365636680	ZINC000576597500	ref	7.15	-43.4	1	233.359	3.014	1	2	3	Cc1ncncc1[C@H](C)[NH2+][C@H]1CCC[C@H](C)C1
365636686	ZINC000576597476	ref	5.14	-6.76	0	233.287	2.378	1	4	4	CSc1nc(NC(C)C)cc(C(F)F)n1
432002743	ZINC000062001491	ref	6.4	-45.32	1	315.376	3.159	2	2	1	O=C1Nc2ccccc2[C@@]12CC[NH2+][C@@H]2c1cccc2cccnc12
230730422	ZINC000414302743	ref	4.63	-15.05	0	323.414	3.474	1	5	8	CCCCOc1cccc(NCc2ccc(S(C)(=O)=O)o2)c1
365636689	ZINC000576596712	ref	2.44	-15.74	0	242.3	-0.387	1	4	2	CN1C(=O)C[C@H](NC(=O)[C@@H]2CCSC2)C1=O
365636695	ZINC000576598474	ref	2.87	-56.81	1	212.293	0.233	1	2	4	CC(=O)N1CC([NH2+]CC[C@H]2CCOC2)C1
365636703	ZINC000576598541	ref	4.15	-15.27	0	239.275	-0.368	0	6	3	COC[C@H]1CN(c2cc(=O)n(C)cn2)CCO1
178302600	ZINC000237204279	ref	5.19	-42.83	1	350.484	1.9	1	3	5	Cc1ccc(S(=O)(=O)CCC(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
342596137	ZINC000616968366	ref	4.26	-17.83	0	292.766	1.766	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2cccc(Cl)c2)CCC1
124847252	ZINC000174016451	ref	5.12	-7.99	0	342.342	2.749	0	3	2	CN1CCN(S(=O)(=O)c2cc(F)cc(F)c2)c2ccc(F)cc21
398249306	ZINC000650874082	ref	4.26	-12.98	0	292.379	1.576	2	3	6	C[C@H](CCO)N(C)C(=O)NCCc1ccc2c(c1)CCO2
365636708	ZINC000576596752	ref	5.6	-39.96	1	236.315	1.28	2	2	5	C[C@H]1CC[N@H+](CC(=O)NCCc2ccco2)C1
349534931	ZINC000618813502	ref	6.47	-24.73	0	297.362	1.806	1	4	4	Cc1[nH]c2ccccc2c1CC(=O)N(C)Cc1cn(C)nn1
342596138	ZINC000616967654	ref	4.79	-14.46	0	290.338	1.642	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2cccc(F)c2)CCCC1
365636714	ZINC000576596752	mid	5.68	-40.11	1	236.315	1.28	2	2	5	C[C@H]1CC[N@@H+](CC(=O)NCCc2ccco2)C1
342596139	ZINC000616967742	ref	3.1	-23.64	0	282.727	1.112	2	3	4	C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H]1CCNC1=O
214186308	ZINC000278488448	ref	5.96	-12.11	0	301.333	3.28	1	3	7	COC(C)(C)CC(=O)N[C@H](C)c1ccc(OC(F)F)cc1
178302602	ZINC000237201123	ref	6.0	-88.46	2	361.486	1.402	3	3	8	C[N@H+](CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1)C1CCOCC1
365636720	ZINC000576596752	high	2.84	-8.79	0	236.315	1.28	1	3	5	C[C@H]1CCN(CC(=O)NCCc2ccco2)C1
365636725	ZINC000576596144	ref	4.98	-29.77	1	224.348	1.775	2	1	3	C[C@H]1CCC(C)(C)[N@@H+]1CC[C@H]1CCNC1=O
365636729	ZINC000576596144	mid	4.78	-29.94	1	224.348	1.775	2	1	3	C[C@H]1CCC(C)(C)[N@H+]1CC[C@H]1CCNC1=O
365636684	ZINC000336552856	high	3.66	-4.22	0	252.383	2.452	0	4	2	Cc1csc(CN2CCC[C@@H]3COCC[C@H]32)n1
199273064	ZINC000181261077	ref	-0.3	-14.83	0	317.411	0.166	2	5	7	CC[C@H](CCO)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1
365636690	ZINC000336552141	ref	5.04	-13.25	0	293.388	2.128	0	3	2	CC1=C[C@@H](C)CN(C(=O)c2cccc(S(C)(=O)=O)c2)C1
365636701	ZINC000336551981	ref	6.65	-8.77	0	273.332	2.496	0	3	1	CC1=C[C@@H](C)CN(C(=O)c2ccc3c(c2)OCCO3)C1
365636709	ZINC000336553165	ref	4.16	-31.0	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c(C)s1
365636713	ZINC000336553165	mid	4.68	-27.73	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c(C)s1
365636718	ZINC000336553165	mid	2.35	-5.06	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@H](C)[C@@H]2CO)c(C)s1
365636724	ZINC000336551863	ref	7.08	-7.1	0	267.76	2.351	0	3	3	CC1=C[C@H](C)CN(C(=O)CCn2cc(Cl)cn2)C1
365636732	ZINC000336552685	ref	4.6	-8.81	0	264.291	2.024	0	2	2	C[C@H]1CCCCN1[C@@H]1CCN(CC(F)(F)F)C1=O
365636737	ZINC000336552685	mid	6.8	-40.19	1	264.291	2.024	1	1	2	C[C@H]1CCCC[N@@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O
365636741	ZINC000336552685	mid	6.73	-39.24	1	264.291	2.024	1	1	2	C[C@H]1CCCC[N@H+]1[C@@H]1CCN(CC(F)(F)F)C1=O
365636747	ZINC000336553602	ref	9.09	-45.95	1	297.402	2.136	1	3	3	Cn1cc(CC[N@@H+]2CCO[C@@]3(CCc4ccccc43)C2)cn1
365636751	ZINC000336553602	mid	9.23	-42.64	1	297.402	2.136	1	3	3	Cn1cc(CC[N@H+]2CCO[C@@]3(CCc4ccccc43)C2)cn1
365636756	ZINC000336553602	mid	6.77	-8.65	0	297.402	2.136	0	4	3	Cn1cc(CCN2CCO[C@@]3(CCc4ccccc43)C2)cn1
365636762	ZINC000336552866	ref	5.22	-11.98	0	294.782	2.166	0	3	3	CN([C@H]1CCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O
365636768	ZINC000336552866	mid	7.32	-41.93	1	294.782	2.166	1	2	3	C[N@H+]([C@H]1CCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O
299072233	ZINC000459274117	low	7.51	-52.82	1	307.325	2.578	1	5	6	CCOC(=O)c1noc(C[N@H+](C)[C@H](C)c2ccc(F)cc2)n1
299072237	ZINC000459274117	low	7.23	-52.27	1	307.325	2.578	1	5	6	CCOC(=O)c1noc(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)n1
365636772	ZINC000336552866	mid	7.33	-42.02	1	294.782	2.166	1	2	3	C[N@@H+]([C@H]1CCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O
214186311	ZINC000278487796	ref	6.18	-12.43	0	322.777	2.224	0	6	2	N#Cc1sc(N2CCN(C(=O)c3ccco3)CC2)nc1Cl
365636775	ZINC000336552984	ref	5.27	-10.07	0	252.339	2.045	0	4	2	Cc1nc(CN2C(=O)CC(C)CC2=O)c(C)s1
365636781	ZINC000336552063	ref	5.95	-39.49	1	254.399	2.493	1	3	3	Cc1ncsc1CC[N@@H+]1CCOC(C)(C)[C@@H]1C
230730441	ZINC000414302502	ref	6.6	-53.46	1	315.388	3.187	2	2	6	COc1cccc2c1CC[C@H]2[NH2+]C[C@@H](CO)c1ccc(F)cc1
342079368	ZINC000077845230	ref	1.93	-6.69	0	296.342	1.677	3	3	5	CC[C@@H](C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1F
342079369	ZINC000625305044	ref	6.29	-15.78	0	260.297	1.398	0	5	2	CCc1nnc2n1CCN(C(=O)c1cocc1C)C2
230730444	ZINC000414302043	ref	7.55	-41.78	1	315.523	3.394	1	2	4	CC(C)(C)[C@H]1CCC[C@H]1[NH2+]C1CCC(CS(C)(=O)=O)CC1
282122773	ZINC000533470346	ref	2.31	-14.28	0	269.349	1.15	3	5	6	CC(C)(C)CCCNC(=O)NCCc1nc(N)no1
282122782	ZINC000533470075	ref	4.53	-40.03	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1
282122784	ZINC000533470075	mid	4.13	-40.5	1	283.416	1.271	3	2	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1
398249308	ZINC000651462657	mid	5.89	-44.14	1	291.42	3.351	2	3	4	Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1
342079370	ZINC000625305051	ref	8.02	-13.44	0	288.351	1.97	0	5	4	CCc1nnc2n1CCN(C(=O)C[C@@H](C)c1ccco1)C2
365636691	ZINC000172915079	ref	4.71	-7.07	0	278.377	1.562	2	3	5	C[C@H](CNC(=O)C(=O)NC1CC1)Sc1ccccc1
365636705	ZINC000172913381	ref	3.5	-7.74	0	262.338	1.715	2	4	5	C[C@@H](CNC(=O)c1cn[nH]n1)Sc1ccccc1
365636717	ZINC000172913381	mid	3.57	-9.37	0	262.338	1.715	2	4	5	C[C@@H](CNC(=O)c1cnn[nH]1)Sc1ccccc1
365636723	ZINC000172913381	high	3.32	-37.81	-1	262.338	1.715	1	4	5	C[C@@H](CNC(=O)c1c[n-]nn1)Sc1ccccc1
365636731	ZINC000172913381	high	3.38	-37.98	-1	262.338	1.715	1	4	5	C[C@@H](CNC(=O)c1cnn[n-]1)Sc1ccccc1
365636736	ZINC000172913381	high	3.48	-38.12	-1	262.338	1.715	1	4	5	C[C@@H](CNC(=O)c1cn[n-]n1)Sc1ccccc1
365636743	ZINC000172908123	ref	3.35	-10.65	0	293.348	1.744	1	6	6	COc1ccccc1O[C@H](C)CNC(=O)c1cnns1
342079371	ZINC000625304930	ref	4.44	-37.88	1	285.428	1.911	2	3	4	CC(C)(C)[C@@H]1CC[N@H+](CCOC2CCOCC2)C[C@H]1O
342079372	ZINC000625304930	mid	4.91	-37.98	1	285.428	1.911	2	3	4	CC(C)(C)[C@@H]1CC[N@@H+](CCOC2CCOCC2)C[C@H]1O
365636750	ZINC000172908088	ref	6.09	-8.36	0	259.331	1.025	1	6	6	CCCOC(=O)[C@@H](C)Sc1n[nH]c(=O)n1CC
365636760	ZINC000172914402	ref	2.96	-8.54	0	274.276	1.684	1	5	4	COCc1cc(C(=O)N[C@@H]2COc3ccccc32)no1
349534933	ZINC000093285815	ref	3.92	-9.34	0	269.345	0.285	1	3	5	COCCN1CCN(C(=O)N[C@@H](C)C2CC2)CC1=O
365636769	ZINC000172912506	ref	10.11	-7.68	0	278.385	1.687	1	7	4	Cc1cc(C)n(-c2nnc(SCC3CCC3)n2N)n1
365636700	ZINC000274362339	mid	4.77	-45.86	1	263.345	1.33	3	3	5	CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cncnc2)C1
365636706	ZINC000274362771	ref	3.72	-12.56	0	296.367	1.754	2	3	4	NC(=O)[C@H](NC(=O)[C@H]1CCCCS1)c1ccc(F)cc1
365636712	ZINC000637720231	ref	5.92	-13.14	0	289.379	1.775	1	3	4	CCc1cnccc1C(=O)N1CCCC[C@H]1CNC(C)=O
365636719	ZINC000274360613	ref	2.99	-20.93	0	298.408	1.562	1	4	7	CC[C@H](C)NC(=O)C[S@](=O)Cc1cc(OC)cc(C)n1
398249309	ZINC000650870846	ref	3.25	-7.39	0	260.353	1.831	3	2	5	C[C@@H]1CC[C@H](NC(=O)N[C@@H](CO)CCF)[C@H](C)C1
342596140	ZINC000616967635	ref	2.24	-16.54	0	282.727	1.114	2	3	5	O=C(CCOc1ccc(Cl)cc1)N[C@@H]1CCNC1=O
282122780	ZINC000171335843	ref	6.98	-15.94	0	346.818	1.922	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1COc3ccc(Cl)cc3C1)CC2
365636728	ZINC000274362591	ref	2.92	-12.3	0	288.273	1.689	1	4	3	O=C(Nc1cncnc1)[C@@H]1CCCN(CC(F)(F)F)C1
365636734	ZINC000274362765	ref	3.73	-14.33	0	296.367	1.754	2	3	4	NC(=O)[C@H](NC(=O)[C@@H]1CCCCS1)c1ccc(F)cc1
365636742	ZINC000274363400	ref	2.52	-19.12	0	296.758	1.923	3	2	2	Cc1cccc(Cl)c1NC(=O)N1CC[C@@H](NC(N)=O)C1
365636746	ZINC000274362086	ref	5.38	-9.59	0	293.411	1.964	2	3	2	Cn1ccc(CNC(=O)N2CC[C@H](C(C)(C)C)[C@H](O)C2)c1
365636753	ZINC000528817531	ref	4.5	-11.37	0	267.369	1.685	0	3	1	C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC[C@]3(CCOC3)C2)[C@H]1C
365636761	ZINC000274361552	ref	2.58	-13.4	0	286.335	1.764	3	4	6	O=C(NC[C@@H](CCO)c1ccccc1)Nc1cncnc1
365636766	ZINC000274362622	ref	5.77	-17.82	0	294.38	1.363	1	5	4	CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cncnc1
365636773	ZINC000263554827	ref	4.11	-53.26	-1	277.729	1.16	1	5	6	COC[C@H](NC(=O)Cc1ccc(Cl)s1)C(=O)[O-]
365636780	ZINC000274364343	ref	1.86	-14.68	0	299.281	1.246	1	6	5	C[C@@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1cnn(C)c1
365636791	ZINC000274362897	ref	2.86	-20.34	0	292.36	1.909	0	5	5	COc1cc(C)nc(CS(=O)(=O)Cc2ccccn2)c1
365636798	ZINC000274360912	ref	4.56	-10.39	0	292.412	1.113	0	7	5	C[C@@H](c1nccs1)N1CCN(CCn2cncn2)CC1
365636802	ZINC000274360912	low	6.83	-45.93	1	292.412	1.113	1	6	5	C[C@@H](c1nccs1)N1CC[NH+](CCn2cncn2)CC1
295666338	ZINC000429759862	ref	5.23	-13.36	0	332.444	2.711	2	3	5	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CCC[C@@H]1CCO
365639258	ZINC000576617870	ref	10.02	-38.49	1	238.419	4.217	1	1	9	CCC(CC)[N@H+](CC)CCCCC(C)(C)C#N
342596141	ZINC000616968082	ref	3.32	-20.1	0	291.738	1.45	2	3	2	Cn1c(C(=O)N[C@H]2CCNC2=O)c(Cl)c2ccccc21
343994000	ZINC000079910435	ref	7.91	-13.58	0	294.439	2.433	1	2	6	CCC[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CNC(=O)C(C)C)C1
343994006	ZINC000079917807	ref	7.04	-39.92	1	278.396	2.289	2	2	8	COc1ccc(CNC(=O)C[N@H+](C)CCC(C)C)cc1
343994008	ZINC000079917807	mid	7.04	-39.94	1	278.396	2.289	2	2	8	COc1ccc(CNC(=O)C[N@@H+](C)CCC(C)C)cc1
365636721	ZINC000625079444	ref	8.62	-11.07	0	320.437	2.374	0	6	5	COCc1nnc(N2CCCC3(CC2)CC3)n1C[C@H]1CCCO1
365636727	ZINC000625077566	ref	7.49	-10.47	0	318.421	2.094	0	6	4	C1CC(c2nnc(N3CC4(CCCO4)C3)n2C[C@@H]2CCCO2)C1
365639266	ZINC000576617870	mid	10.03	-38.22	1	238.419	4.217	1	1	9	CCC(CC)[N@@H+](CC)CCCCC(C)(C)C#N
365639273	ZINC000576627444	ref	4.7	-53.9	1	228.336	1.14	1	2	7	CCC(CC)N(C(=O)[C@H](C[NH3+])OC)C1CC1
365639289	ZINC000576627444	high	4.44	-9.96	0	228.336	1.14	1	3	7	CCC(CC)N(C(=O)[C@H](CN)OC)C1CC1
365639294	ZINC000576605687	ref	7.15	-34.88	1	247.382	3.347	2	1	5	CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)Cc1cccc(O)c1
199273065	ZINC000294963924	ref	7.56	-10.48	0	298.39	2.358	1	4	6	CCn1nnc(C)c1C(=O)N[C@H](Cc1ccccc1)C1CC1
199273067	ZINC000294963139	ref	6.01	-48.18	1	251.305	1.462	2	1	1	C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)c[nH]1
365639301	ZINC000576605688	ref	6.91	-36.39	1	247.382	3.347	2	1	5	CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)Cc1cccc(O)c1
365639306	ZINC000576605732	ref	3.78	-7.56	0	239.271	-0.018	0	4	2	CC(=O)C1(C(=O)N2C[C@H]3COC[C@@H](C2)O3)CC1
365639311	ZINC000576613652	ref	8.0	-5.06	0	246.36	3.783	0	4	2	Cc1ccc(Sc2snc(C)c2C#N)cc1
365639315	ZINC000576630479	ref	3.87	-32.67	1	201.285	1.772	2	1	3	OC1(C[NH2+][C@@H]2CCC[C@@H]2F)CCCC1
365639330	ZINC000576630479	high	2.95	-2.49	0	201.285	1.772	2	2	3	OC1(CN[C@@H]2CCC[C@@H]2F)CCCC1
365639334	ZINC000576629265	ref	7.73	-42.25	1	231.339	2.168	1	1	5	CCO[C@@H]1C[C@H]1[NH2+]CC1Cc2ccccc2C1
398249310	ZINC000651464093	ref	9.09	-5.7	0	263.291	3.011	1	3	5	CCc1cccc(CNc2ncc(C(F)F)cn2)c1
282122775	ZINC000449153723	ref	5.72	-41.86	1	253.411	2.24	2	2	7	CS[C@H](CO)[C@H](C)[NH2+]CCc1cccc(C)c1
365639358	ZINC000576611599	ref	3.09	-47.09	1	225.336	1.251	3	1	6	C=CCCCNC(=O)NCC1CC[NH2+]CC1
365639370	ZINC000576611881	ref	0.82	-49.86	1	245.298	-0.149	3	2	2	CN(C(=O)N[C@H]1CCC[C@H]1F)[C@H]1C[NH2+]C[C@@H]1O
365639378	ZINC000576611743	ref	1.76	-46.79	1	249.314	0.474	3	2	6	O=C(NCCOCc1ccccc1)NC1C[NH2+]C1
365639381	ZINC000641608609	ref	7.2	-40.76	1	271.364	1.742	1	3	1	C[N@@H+]1CC[C@@]2(CCN(c3ccc4c(n3)C(=O)CC4)C2)C1
365636733	ZINC000354709099	ref	5.24	-9.07	0	261.329	1.651	1	6	2	Cc1nc(N[C@@H]2CCO[C@H](C)C2)c2cnn(C)c2n1
398249311	ZINC000649443169	ref	6.39	-49.14	1	243.306	2.419	1	2	1	O=C1CCCOc2c1cccc2C1=CC[NH2+]CC1
365636739	ZINC000354709869	ref	4.68	-44.14	1	297.443	1.72	3	2	10	CCCC[C@H](CCC)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365636748	ZINC000354709051	ref	8.5	-40.59	1	250.386	1.975	1	1	2	C[C@@H]1CN(C(=O)[C@H]2CC23CCCC3)C[C@@H]1[NH+](C)C
365636755	ZINC000354709696	ref	3.08	-13.64	0	251.273	1.235	1	3	5	CN(C[C@@H]1CCCC[C@H]1O)C(=O)COC(F)F
230730501	ZINC000414303647	ref	7.35	-45.12	1	301.352	3.315	2	1	6	OC[C@@H](C[NH2+]C1CCC(C(F)F)CC1)c1ccc(F)cc1
365636759	ZINC000354709431	ref	1.12	-11.46	0	272.389	1.197	3	3	5	C[C@H](CO)CCCNC(=O)N1CC[C@H](O)C(C)(C)C1
365636765	ZINC000354709425	ref	1.12	-11.44	0	272.389	1.197	3	3	5	C[C@@H](CO)CCCNC(=O)N1CC[C@H](O)C(C)(C)C1
343994005	ZINC000599270276	ref	6.67	-5.34	0	287.425	1.782	0	5	7	CCOC(=O)[C@@H]1CSCCN1C[C@@H](OCC)C1CC1
365636771	ZINC000354708311	ref	5.49	-15.78	0	272.352	1.459	1	4	5	CN(C)c1cccc(C(=O)NCCc2ccn(C)n2)c1
365636776	ZINC000354708841	ref	3.92	-17.42	0	273.398	1.504	1	3	4	C[C@@H]1C[C@@H]1CC(=O)NC1CCC(S(C)(=O)=O)CC1
365636784	ZINC000354708888	ref	5.07	-39.06	1	266.341	1.076	2	3	7	C[NH+](C)CCOCCNC(=O)c1occ2c1CCC2
365636788	ZINC000354708888	high	2.52	-9.86	0	266.341	1.076	1	4	7	CN(C)CCOCCNC(=O)c1occ2c1CCC2
365636793	ZINC000354708337	ref	3.66	-39.76	1	287.4	1.485	2	4	8	COC[C@@](C)(CC(=O)OC)[NH2+]C[C@@H](O)C1CCCCC1
365636795	ZINC000354708337	high	2.33	-5.09	0	287.4	1.485	2	5	8	COC[C@@](C)(CC(=O)OC)NC[C@@H](O)C1CCCCC1
365636801	ZINC000354709689	ref	4.31	-13.33	0	290.429	1.305	0	3	5	CC[C@H](C)CCC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1
214186315	ZINC000278487594	ref	9.4	-55.49	1	315.396	2.446	1	4	3	Cc1nc(F)ccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1
365636805	ZINC000354709480	ref	2.47	-12.88	0	284.4	1.607	2	3	5	C[C@H](CO)CCCNC(=O)N1CC[C@]2(CCCOC2)C1
365636810	ZINC000354708651	ref	3.45	-12.18	0	276.402	1.394	1	3	5	CCN(C(=O)NCC1(S(C)(=O)=O)CCC1)C(C)C
365636815	ZINC000354708479	ref	-0.3	-10.83	0	272.389	1.388	4	3	6	C[C@H](CO)CCCNC(=O)N[C@@H]1CCCCC[C@@H]1O
365636819	ZINC000354709169	ref	5.84	-42.49	1	282.428	1.92	3	2	6	C[NH+]1CCC(O)(CNC(=O)CCCC2CCCC2)CC1
365636823	ZINC000354709169	high	3.47	-8.76	0	282.428	1.92	2	3	6	CN1CCC(O)(CNC(=O)CCCC2CCCC2)CC1
365636827	ZINC000354709807	ref	4.73	-17.22	0	263.263	1.811	1	3	6	Cn1ccc(CCNC(=O)CCCC(F)(F)F)n1
365636735	ZINC000576597744	ref	6.3	-45.41	1	249.358	2.395	1	3	5	Cc1ncncc1[C@H](C)[NH2+]CC[C@H]1CCCCO1
365636738	ZINC000576597744	high	5.13	-4.96	0	249.358	2.395	1	4	5	Cc1ncncc1[C@H](C)NCC[C@H]1CCCCO1
365636744	ZINC000576597208	ref	7.8	-13.73	0	215.256	2.267	0	4	3	CCc1nocc1Cn1cc(C)c(C#N)c1
365636749	ZINC000576597006	ref	0.45	-11.04	0	238.287	0.559	2	4	5	CC[C@@H](CO)N(C)C(=O)Cc1cncc(O)c1
365636754	ZINC000576597006	high	1.22	-51.92	-1	238.287	0.559	1	4	5	CC[C@@H](CO)N(C)C(=O)Cc1cncc([O-])c1
365636758	ZINC000576596748	ref	5.57	-39.71	1	236.315	1.28	2	2	5	C[C@@H]1CC[N@H+](CC(=O)NCCc2ccco2)C1
343994007	ZINC000599270276	low	9.0	-34.92	1	287.425	1.782	1	4	7	CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](OCC)C1CC1
365636763	ZINC000576596748	mid	5.66	-40.21	1	236.315	1.28	2	2	5	C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccco2)C1
365636767	ZINC000576596748	high	3.26	-10.99	0	236.315	1.28	1	3	5	C[C@@H]1CCN(CC(=O)NCCc2ccco2)C1
365636774	ZINC000576597933	ref	2.66	-8.99	0	244.258	1.237	0	7	3	Cc1noc([C@H](C)N(C)c2cncc(C#N)n2)n1
365636778	ZINC000576597024	ref	7.39	-34.36	1	226.364	1.975	1	1	2	CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C(C)(C)C
365636782	ZINC000576597024	mid	7.41	-34.12	1	226.364	1.975	1	1	2	CN(C(=O)C[N@H+]1CCC(C)(C)C1)C(C)(C)C
230730545	ZINC000450411479	ref	4.52	-15.35	0	319.434	1.498	1	6	8	CN(CC(=O)NCc1cccs1)Cc1cn(CC2CC2)nn1
365636785	ZINC000576597024	high	5.04	-6.63	0	226.364	1.975	0	2	2	CN(C(=O)CN1CCC(C)(C)C1)C(C)(C)C
365636790	ZINC000576599727	ref	3.18	-40.52	1	237.347	1.667	3	2	4	Cc1nc(C[NH2+]C[C@H]2CCCC[C@@H]2O)[nH]c1C
365636794	ZINC000576599727	high	1.98	-7.56	0	237.347	1.667	3	3	4	Cc1nc(CNC[C@H]2CCCC[C@@H]2O)[nH]c1C
365636799	ZINC000576597440	ref	0.54	-13.31	0	238.287	0.869	2	4	5	CO[C@H](C)[C@H](C)NC(=O)Cc1cncc(O)c1
365636803	ZINC000576597440	high	1.3	-54.24	-1	238.287	0.869	1	4	5	CO[C@H](C)[C@H](C)NC(=O)Cc1cncc([O-])c1
365636807	ZINC000576598494	ref	-4.16	-9.14	0	237.325	-1.551	2	4	4	CNS(=O)(=O)N1CCN(CCO)C[C@@H]1C
398249312	ZINC000650874465	ref	3.82	-13.29	0	270.373	1.356	2	3	4	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)C1CCCC1
365636809	ZINC000576598494	mid	-2.0	-41.41	1	237.325	-1.551	3	3	4	CNS(=O)(=O)N1CC[N@H+](CCO)C[C@@H]1C
365636813	ZINC000576598494	mid	-2.28	-45.65	1	237.325	-1.551	3	3	4	CNS(=O)(=O)N1CC[N@@H+](CCO)C[C@@H]1C
365636817	ZINC000576597441	ref	0.65	-10.34	0	238.287	0.869	2	4	5	CO[C@@H](C)[C@H](C)NC(=O)Cc1cncc(O)c1
365636820	ZINC000576597441	high	1.41	-51.01	-1	238.287	0.869	1	4	5	CO[C@@H](C)[C@H](C)NC(=O)Cc1cncc([O-])c1
219047895	ZINC000350692961	ref	7.03	-17.33	0	294.399	2.083	1	3	5	CO[C@@H](C)CN(C)C(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1
214186321	ZINC000278487594	mid	9.94	-53.69	1	315.396	2.446	1	4	3	Cc1nc(F)ccc1C[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1
219047898	ZINC000350684167	ref	3.3	-13.2	0	257.293	2.305	2	4	3	CCc1ccc(O)c(NC(=O)c2nccc(C)n2)c1
214186324	ZINC000278487594	mid	8.04	-14.55	0	315.396	2.446	0	5	3	Cc1nc(F)ccc1CN1CCC[C@@H](c2nnc3n2CCC3)C1
219047901	ZINC000350689224	ref	3.47	-12.99	0	283.397	2.189	3	4	6	CSc1ccc(NC(=O)NC[C@H](CO)C(C)C)nc1
219047905	ZINC000350686569	ref	7.78	-47.53	1	288.322	2.472	1	2	3	C[NH+](C)C1CN(C(=O)c2cc(F)ccc2-c2ccoc2)C1
219047908	ZINC000350686569	mid	5.35	-8.81	0	288.322	2.472	0	3	3	CN(C)C1CN(C(=O)c2cc(F)ccc2-c2ccoc2)C1
214186328	ZINC000278486895	ref	6.52	-9.08	0	317.429	3.1	2	3	7	COc1ccc(C(=O)NCC2([C@H](O)C(C)C)CC2)cc1C1CC1
214186332	ZINC000278489019	ref	10.39	-14.63	0	311.385	3.009	1	4	4	CC1(C)CCc2nc(NC(=O)COc3ccccc3)ncc2C1
214186335	ZINC000278487618	ref	8.18	-47.43	1	303.381	3.327	2	2	5	CCOc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F
214186340	ZINC000278487618	mid	8.77	-47.87	1	303.381	3.327	2	2	5	CCOc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1F
398249313	ZINC000649443204	ref	4.12	-10.0	0	201.229	1.417	0	4	1	Cn1nncc1-c1ccc2c(c1)CCO2
398249317	ZINC000649443208	ref	6.15	-9.47	0	214.268	2.33	0	3	1	Cc1cc(-c2ccc3c(c2)CCO3)nn1C
398249320	ZINC000649443054	ref	7.03	-45.86	1	231.27	2.331	1	1	1	O=C1CCc2c(F)cc(C3=CC[NH2+]CC3)cc21
214186343	ZINC000278487618	low	8.65	-108.95	2	303.381	3.327	2	1	5	CCOc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F
342596142	ZINC000616968504	ref	3.15	-17.57	0	276.336	1.077	2	3	5	Cc1ccc(OCCC(=O)N[C@H]2CCNC2=O)c(C)c1
342596143	ZINC000616968153	ref	4.33	-16.87	0	290.407	1.988	2	2	2	C[C@@]12CC3CC(C(=O)N[C@@H]4CCNC4=O)(C1)C[C@](C)(C3)C2
192339896	ZINC000421442311	ref	7.89	-6.24	0	235.371	3.118	1	1	2	C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)[C@]12CCC[C@H]1C2
168364850	ZINC000368495429	ref	8.39	-57.4	1	338.455	3.242	2	3	5	CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(-c3cncnc3)cc2)CC1
282122777	ZINC000248975377	mid	2.91	-34.13	1	308.422	1.614	4	3	7	Cc1cc(C)c(NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c(C)c1
342600544	ZINC000194694669	mid	2.03	-10.98	0	260.297	1.569	2	4	2	C[C@H]1COCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1
210256994	ZINC000000644662	ref	4.51	-7.76	0	350.223	3.464	1	4	6	CCOc1c(S(=O)(=O)NCc2ccco2)ccc(Cl)c1Cl
210256997	ZINC000000644662	high	4.22	-40.54	-1	350.223	3.464	0	4	6	CCOc1c(S(=O)(=O)[N-]Cc2ccco2)ccc(Cl)c1Cl
282122778	ZINC000449154393	ref	7.25	-41.22	1	281.377	2.001	1	4	6	COC(=O)COC[C@@H](C)[NH2+][C@@H]1CSc2ccccc21
214186329	ZINC000337626182	ref	7.63	-41.72	1	265.401	2.056	2	1	3	O=C(NCC1CCC1)N1CCC([NH+]2CCCC2)CC1
214186333	ZINC000337624931	ref	7.76	-5.94	0	287.403	3.314	1	2	4	C[C@@]1(NC(=O)CC[C@@H]2CCCO2)CCCc2ccccc21
214186337	ZINC000337625039	ref	0.29	-12.46	0	271.28	0.549	2	5	4	Cc1cnc(C(=O)NCC(=O)Nc2cccnc2)cn1
214186341	ZINC000337624719	ref	7.62	-7.11	0	277.29	3.439	2	2	5	CCC(CC)[C@H](C)C(=O)Nc1nc(C(F)(F)F)c[nH]1
214186344	ZINC000337624719	mid	7.54	-6.08	0	277.29	3.439	2	2	5	CCC(CC)[C@H](C)C(=O)Nc1ncc(C(F)(F)F)[nH]1
432002745	ZINC000129231431	ref	4.29	-15.38	0	314.316	3.132	3	3	4	O=C(Nc1cccc(O)c1F)c1ccc(NC(=O)C2CC2)cc1
214186347	ZINC000337625239	ref	4.79	-12.24	0	285.413	2.267	1	5	6	CC[C@H](C)OCC(=O)NCc1nnc(C(C)(C)C)s1
214186357	ZINC000337625857	ref	5.69	-7.75	0	278.318	3.207	2	1	3	O=C(NCC1CCC1)N[C@H]1CCC[C@@H](C(F)(F)F)C1
210257000	ZINC000000645786	ref	7.4	-23.79	0	365.389	2.49	0	6	3	Cc1c(N(C)C(=O)c2ccc3c(c2)OCO3)c(=O)n(-c2ccccc2)n1C
210257007	ZINC000000641666	ref	9.71	-10.44	0	350.403	3.289	0	7	3	c1ccc(Cc2nnc3sc([C@@H]4COc5ccccc5O4)nn23)cc1
282122783	ZINC000449154393	high	6.22	-9.93	0	281.377	2.001	1	5	6	COC(=O)COC[C@@H](C)N[C@@H]1CSc2ccccc21
199273066	ZINC000181260834	ref	1.47	-19.84	0	316.155	0.746	2	4	1	Cn1cc(NC(=O)N2CC[C@@H](O)C2)cc(Br)c1=O
210257012	ZINC000000641722	ref	11.69	-20.11	0	359.765	4.55	0	5	4	Cc1c(Cl)c(=O)oc2c(C)c(OCc3ccc([N+](=O)[O-])cc3)ccc12
432002746	ZINC000129231431	high	5.05	-53.17	-1	314.316	3.132	2	3	4	O=C(Nc1cccc([O-])c1F)c1ccc(NC(=O)C2CC2)cc1
210257019	ZINC000428402742	ref	0.9	-21.42	0	333.454	0.526	2	4	6	COC1CCC(CNC(=O)NCCN2CCCS2(=O)=O)CC1
199273068	ZINC000181260889	ref	1.92	-16.69	0	301.346	2.557	2	4	2	Cc1coc(-c2ccc(C)c(NC(=O)N3CC[C@H](O)C3)c2)n1
178302609	ZINC000002568913	ref	4.92	-5.35	0	227.094	3.553	0	2	0	Cc1cc2nc(Cl)c(Cl)nc2cc1C
323004605	ZINC000566538129	mid	6.56	-35.81	1	239.359	1.914	1	2	2	C[C@H]1C[C@@H]1C[N@H+]1CCOC2(CCOCC2)CC1
365636745	ZINC000623069395	high	-0.49	-77.67	0	316.361	1.019	2	3	2	C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H]1C[NH3+]
365636752	ZINC000623068921	ref	4.38	-57.86	1	324.182	1.054	1	4	2	CN(C(=O)c1nc2ccc(Br)cn2n1)C1CC([NH3+])C1
365636757	ZINC000623068010	ref	6.25	-59.41	1	315.381	1.186	2	5	3	C[NH2+]C1CCN(C(=O)Nc2cc(-n3cnnn3)ccc2C)CC1
365636764	ZINC000623067983	ref	6.2	-54.65	1	319.796	1.697	1	4	2	C[C@@H]1[C@@H]([NH3+])CCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365636770	ZINC000623068766	ref	2.82	-55.02	1	321.377	1.754	3	4	6	COc1cc(NC(=O)NCC2=CC[NH2+]CC2)cc(OC)c1OC
365636779	ZINC000623068292	ref	4.31	-55.13	1	312.373	1.122	2	3	1	[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[nH]3)C[C@H]21
365636783	ZINC000623068292	mid	3.25	-80.85	0	312.373	1.122	1	3	1	[NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3nc4ccccc4c(=O)[n-]3)C[C@H]21
365636789	ZINC000623069399	ref	8.31	-51.51	1	313.405	1.336	1	4	7	Cn1nc(C2CC2)nc1C(=O)N(CC[NH3+])CCc1ccccc1
365639272	ZINC000623071531	ref	5.54	-88.2	2	306.41	1.33	3	2	4	C[NH+](C)Cc1cccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)c1
365639284	ZINC000623071531	high	3.06	-43.49	1	306.41	1.33	2	3	4	CN(C)Cc1cccc(NC(=O)N2CCCO[C@H](C[NH3+])C2)c1
365639290	ZINC000623071833	ref	2.77	-56.98	1	303.362	1.849	3	3	2	[NH3+][C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C12CCC2
365639295	ZINC000623071670	ref	4.3	-59.52	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2ccccn2)CC1
365639304	ZINC000623071250	ref	3.07	-54.62	1	310.423	1.812	2	4	2	Cc1csc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1
365639310	ZINC000623071905	ref	5.32	-50.32	1	308.382	1.298	2	4	2	Cc1cc(NC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)no1
365639316	ZINC000623071989	ref	4.5	-52.64	1	308.382	1.155	2	4	2	Cc1cc(NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)no1
365639322	ZINC000623071575	ref	2.22	-63.55	1	310.423	1.671	2	4	2	Cc1csc(NC(=O)N2C[C@@H](C[NH3+])C3(CCOCC3)C2)n1
365639327	ZINC000623071318	ref	3.79	-49.62	1	310.423	1.893	2	4	2	[NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)Nc3nccs3)C2)C1
365639331	ZINC000623071127	ref	2.73	-69.7	1	319.405	1.914	2	3	3	COc1cccc(NC(=O)N2C[C@@H](C[NH3+])C3(CCOCC3)C2)c1
282122779	ZINC000360900115	low	5.51	-66.33	1	340.445	1.167	1	4	6	C[NH+](C)C[C@@H]1CN(C(=O)CCCS(C)(=O)=O)c2ccccc2O1
282123641	ZINC000449156087	ref	6.31	-56.94	1	274.368	2.164	1	4	7	CCn1nnc(C)c1C[NH2+]C[C@H](C)Oc1ccccc1
282122781	ZINC000248973634	ref	3.12	-10.22	0	316.357	1.672	1	5	2	CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C#N)c(O)c3)[C@H]2C1
282122786	ZINC000248973634	mid	3.89	-39.78	-1	316.357	1.672	0	5	2	CO[C@@H]1CC[C@@H]2OCCN(C(=O)c3ccc(C#N)c([O-])c3)[C@H]2C1
365636777	ZINC000172909969	ref	4.85	-17.87	0	289.335	1.475	1	5	7	COc1ccccc1O[C@H](C)CNC(=O)Cn1cccn1
365636786	ZINC000172905067	ref	6.58	-13.45	0	282.344	1.925	1	6	5	COC[C@@H](C)Sc1nnc(-c2ccccc2F)n1N
365636796	ZINC000172912146	ref	2.65	-11.66	0	284.381	1.192	2	3	5	C[C@H](NC(=O)C(C)(C)NS(C)(=O)=O)c1ccccc1
365636806	ZINC000172911275	ref	2.95	-11.09	0	273.13	1.666	2	2	3	CC[C@@H](C)NC(=O)c1c[nH]c(=O)c(Br)c1
365636811	ZINC000172912249	ref	2.4	-13.69	0	280.353	1.76	1	6	6	CCCc1ncc(C(=O)NCCc2nc(C)no2)s1
365636816	ZINC000172905962	ref	5.16	-18.92	0	295.393	1.478	0	7	3	Cc1cc(N2CC[C@@H](Sc3nncs3)C2=O)n(C)n1
365636821	ZINC000172908115	ref	3.3	-10.78	0	293.348	1.744	1	6	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cnns1
365636825	ZINC000172914778	ref	5.3	-12.21	0	275.312	1.335	1	7	6	CCOC(=O)CNc1cccc(-c2nnnn2CC)c1
365636836	ZINC000172914679	ref	5.0	-13.43	0	294.33	1.705	2	2	2	CCNC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1
365636841	ZINC000172911313	ref	3.29	-20.39	0	278.352	1.593	2	3	8	CNC(=O)c1cccc(C(=O)NCCCCCOC)c1
365636846	ZINC000172911742	ref	2.58	-11.5	0	291.351	1.481	3	4	7	COC(=O)NCc1ccc(NCC(=O)NCC2CC2)cc1
365636851	ZINC000172910957	ref	7.79	-5.6	0	292.36	1.882	0	4	5	O=C1C(=O)N(CC2CCC2)C(=O)N1CCc1cccs1
343994009	ZINC000599270276	low	8.62	-34.65	1	287.425	1.782	1	4	7	CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](OCC)C1CC1
343994011	ZINC000599269378	ref	4.39	-48.92	1	296.411	1.559	2	4	6	CCOC1CC[NH+](C[C@H](O)CC2(C#N)CCOCC2)CC1
365636856	ZINC000172914630	ref	7.44	-12.44	0	286.335	1.485	1	5	4	Cc1cc(C(=O)NC[C@@H]2CCCO2)ccc1-n1cncn1
365636858	ZINC000172906470	ref	3.14	-12.4	0	275.308	1.616	2	4	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cn[nH]c1
230744906	ZINC000425610881	ref	5.25	-19.86	0	312.373	2.393	3	3	4	N#C[C@H]1CC[C@@H](NC(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1
259308337	ZINC000187708652	ref	5.12	-9.02	0	247.338	3.465	2	2	3	Cc1cc(NC(=O)C[C@@H]2CCC[C@@H]2C)ccc1O
199273069	ZINC000294963139	mid	6.3	-46.77	1	251.305	1.462	2	1	1	C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)c1cc(F)c[nH]1
365636861	ZINC000172915433	ref	2.44	-12.44	0	270.354	1.261	2	3	4	Cc1ccccc1NC(=O)C(C)(C)NS(C)(=O)=O
219047897	ZINC000097681603	ref	4.89	-24.44	0	338.473	1.764	1	4	8	CCCS(=O)(=O)CC(=O)N[C@@H](CN1CCCC1)c1ccccc1
219047899	ZINC000097681603	low	7.42	-61.62	1	338.473	1.764	2	3	8	CCCS(=O)(=O)CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1
219047902	ZINC000097680892	ref	8.9	-8.9	0	328.359	3.758	0	3	5	CN(CCC(F)(F)F)C(=O)c1csc(Cc2ccccc2)n1
219047903	ZINC000097680956	ref	10.94	-49.49	1	342.447	1.758	2	5	5	C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)c2ccc(-n3cncn3)nc2)C1
185089002	ZINC000096075953	mid	4.63	-43.28	1	275.352	1.018	1	3	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1cccnc1)C2
219047906	ZINC000097682550	ref	6.36	-45.0	1	331.416	1.356	3	3	5	C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)C[NH+]1CCCC1
219047909	ZINC000097682550	high	4.26	-20.39	0	331.416	1.356	2	4	5	C[C@H](CNC(=O)c1cc2c([nH]c1=O)CCCC2=O)CN1CCCC1
214186346	ZINC000278487618	low	9.25	-109.02	2	303.381	3.327	2	1	5	CCOc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F
214186348	ZINC000278487618	high	6.53	-9.71	0	303.381	3.327	1	3	5	CCOc1ccc(CN2CCC[C@@H](c3ncc[nH]3)C2)cc1F
214186351	ZINC000278487314	ref	6.4	-40.68	1	312.417	3.414	2	4	6	c1ccc(C[N@H+]2CCCC[C@@H]2CNc2nnc(C3CC3)o2)cc1
219047911	ZINC000097681479	ref	5.91	-9.61	0	344.333	2.686	1	4	4	COC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(CC(F)(F)F)C1
214186354	ZINC000278487314	mid	5.74	-39.96	1	312.417	3.414	2	4	6	c1ccc(C[N@@H+]2CCCC[C@@H]2CNc2nnc(C3CC3)o2)cc1
168366126	ZINC000335016074	ref	4.62	-121.98	2	196.338	2.034	2	0	3	C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCC2(CC1)CC2
214186355	ZINC000278487314	high	4.39	-7.01	0	312.417	3.414	1	5	6	c1ccc(CN2CCCC[C@@H]2CNc2nnc(C3CC3)o2)cc1
342079373	ZINC000625304930	high	2.62	-4.41	0	285.428	1.911	1	4	4	CC(C)(C)[C@@H]1CCN(CCOC2CCOCC2)C[C@H]1O
219047913	ZINC000097679956	ref	4.28	-16.55	0	337.335	2.426	2	5	5	O=C(C[C@H]1NC(=O)c2ccccc21)NCc1cc(-c2ccco2)on1
219047918	ZINC000097681510	ref	5.35	-16.7	0	340.788	2.547	1	6	3	Cc1sc(=O)n(CC(=O)Nc2cc3c(cc2Cl)OCO3)c1C
219047921	ZINC000097682105	ref	3.1	-42.9	1	336.436	1.08	4	3	10	CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)NC(N)=O)cc1
192339897	ZINC000273863035	ref	7.16	-12.31	0	292.364	1.439	0	7	4	Cc1cc2nnc(SCC(=O)[C@H]3CCOC3)n2c(C)n1
342079374	ZINC000608862822	ref	8.75	-49.75	1	278.352	1.159	1	4	6	COC(=O)[C@@H](C)C[N@H+](Cc1ccn(C)c(=O)c1)C1CC1
210257024	ZINC000000640794	ref	6.81	-8.86	0	360.624	4.916	1	3	4	COc1cc(NC(=O)c2ccc(Cl)cc2Cl)c(OC)cc1Cl
214186358	ZINC000293597020	ref	2.77	-21.35	0	356.404	0.591	1	6	4	Cc1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c(N)c([N+](=O)[O-])c1
210257028	ZINC000428403701	ref	0.7	-14.85	0	329.393	1.0	2	4	6	O=S(=O)(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1
210257032	ZINC000428375514	ref	1.75	-22.88	0	339.392	0.432	1	5	5	CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cccc(F)c1C#N
282122787	ZINC000116794031	ref	8.14	-47.01	1	344.415	0.576	1	5	5	C[NH+](C)C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1
398249314	ZINC000650873707	ref	5.28	-16.74	0	281.4	1.733	2	2	5	CCN1C[C@@H](CNC(=O)N[C@H](C)C2CCCC2)CC1=O
210257041	ZINC000428387165	ref	4.65	-12.63	0	341.433	0.732	1	5	9	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)N(C)CC1CC1
178302607	ZINC000237201123	mid	6.22	-88.61	2	361.486	1.402	3	3	8	C[N@@H+](CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1)C1CCOCC1
210257044	ZINC000428387165	high	4.63	-49.37	-1	341.433	0.732	0	5	9	CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)N(C)CC1CC1
282122800	ZINC000116794031	high	5.7	-15.33	0	344.415	0.576	0	6	5	CN(C)C[C@@H]1CN(C(=O)CCn2cnc3ccccc3c2=O)CCO1
398249318	ZINC000650874269	ref	2.24	-10.62	0	284.4	1.796	3	3	5	C[C@H](NC(=O)NCC[C@]1(O)CCCOC1)C1CCCC1
398249321	ZINC000650874489	ref	6.82	-15.09	0	265.284	1.785	0	3	1	C[C@H]1Oc2ccccc2O[C@H]1C(=O)N1CC[C@H](F)C1
342596144	ZINC000616967831	ref	4.04	-19.41	0	297.358	1.665	3	2	2	O=C(N[C@H]1CCNC1=O)c1cccc2c3c([nH]c12)CCCC3
178302611	ZINC000237206905	ref	8.47	-41.58	1	354.454	1.836	1	4	4	Cc1cccc2c(=O)n(CCC(=O)N(C)C3C[C@@H]4CC[C@H](C3)[NH2+]4)cnc12
210257053	ZINC000428403422	ref	-0.37	-18.45	0	332.381	0.937	3	4	4	NC(=O)c1cccc(S(=O)(=O)N[C@@H]2Cc3cccc(O)c3C2)c1
178302616	ZINC000237221746	ref	4.88	-51.2	1	360.332	1.915	2	4	6	COC(=O)C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1
178302620	ZINC000237204529	ref	4.13	-54.13	1	363.849	1.974	2	5	6	CO[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccc(Cl)c1
383676964	ZINC000640023815	mid	3.77	-9.68	0	274.389	2.642	2	3	3	O[C@H]1C[C@@H](C2CC2)[N@@H+](Cc2nsc3ccccc23)C1
210257056	ZINC000428373404	ref	3.36	-14.22	0	342.417	0.654	1	6	8	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)C[C@@H]1CCCO1
349534934	ZINC000594968578	ref	8.46	-51.01	1	266.385	2.646	1	3	7	CC[C@H](C)CC[NH2+]Cc1cc(C(=O)OC)c(C)n1C
342079375	ZINC000608862822	mid	8.66	-50.9	1	278.352	1.159	1	4	6	COC(=O)[C@@H](C)C[N@@H+](Cc1ccn(C)c(=O)c1)C1CC1
214186362	ZINC000293597269	ref	3.48	-15.02	0	362.308	0.933	1	7	9	O=C(c1cc(Cn2cccn2)on1)N(CCO)CCOCC(F)(F)F
214186366	ZINC000293600021	ref	2.11	-16.88	0	372.429	0.966	3	7	5	CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@@H]2C)c1
214186372	ZINC000293594095	ref	6.68	-12.62	0	373.442	0.68	2	8	3	Nc1nsc(N2CCN(C(=O)C(=O)Nc3cccc(C4CC4)n3)CC2)n1
214186376	ZINC000293595509	ref	6.21	-11.41	0	351.309	0.995	1	5	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1
214186381	ZINC000293598969	ref	3.37	-24.93	0	366.443	0.536	1	5	5	CN(C(=O)c1ccnc(NC(=O)C2CC2)c1)[C@H]1CCN(S(C)(=O)=O)C1
214186384	ZINC000293598047	ref	4.02	-45.12	1	370.471	0.807	1	5	8	COC[C@H]1CC[N@@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
214186390	ZINC000293598047	mid	4.03	-44.12	1	370.471	0.807	1	5	8	COC[C@H]1CC[N@H+]1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
214186395	ZINC000293598047	mid	0.96	-10.42	0	370.471	0.807	0	6	8	COC[C@H]1CCN1CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1
214186399	ZINC000293597647	ref	4.33	-13.4	0	365.361	0.488	2	5	5	COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]2CF)cc1
214186403	ZINC000293597905	ref	2.91	-14.87	0	358.342	0.586	0	7	6	CCn1nc(C)c(C(=O)O[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)n1
214186407	ZINC000293596806	ref	3.35	-26.17	0	367.427	0.749	0	5	4	CN(C(=O)c1ccc(N2CCOC2=O)cc1)[C@@H]1CCN(S(C)(=O)=O)C1
214186409	ZINC000293589495	ref	0.57	-14.51	0	357.461	0.685	2	7	7	CCn1ncc(C(=O)NCCNS(=O)(=O)c2cc(C)sc2C)n1
214186417	ZINC000293595481	ref	6.34	-12.15	0	351.309	0.995	1	5	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc(C#N)cc2F)C1
214186422	ZINC000293593643	ref	2.76	-21.58	0	362.455	0.959	1	5	5	C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1
214186426	ZINC000293600292	ref	2.06	-15.88	0	370.427	0.519	1	6	5	COCc1cc(C(=O)OC)cc(S(=O)(=O)N2CCNC(=O)C2(C)C)c1
214186429	ZINC000293588951	ref	1.69	-15.87	0	362.171	0.279	2	4	2	C[C@H]1CCNC(=O)[C@@H]1NC(=O)c1cnn(C)c1I
361823510	ZINC000629301056	ref	7.07	-44.47	-1	298.383	1.935	0	4	3	C[C@H]1CN(C(=O)N(CC(=O)[O-])C2CCCCC2)C[C@@H](C)O1
349534935	ZINC000602430615	ref	4.06	-44.99	1	237.347	1.432	2	2	5	CCC(C#N)(CC)C(=O)NC[C@H]1CCC[NH2+]C1
342079376	ZINC000625304932	ref	5.13	-36.78	1	285.428	1.911	2	3	4	CC(C)(C)[C@H]1CC[N@H+](CCOC2CCOCC2)C[C@H]1O
210257061	ZINC000428373404	mid	3.14	-54.67	-1	342.417	0.654	0	6	8	CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)C[C@@H]1CCCO1
210257065	ZINC000428378570	ref	2.34	-55.98	1	333.388	0.334	2	4	7	COc1ccc(C(=O)CNC(=O)CCC(=O)N2CC[C@@H]([NH3+])C2)cc1
210257038	ZINC000019522499	high	4.83	-46.6	-1	385.464	2.839	0	6	6	CCOc1cc2c(cc1CN1CCC[C@H](c3nc(CC)cc(=O)[n-]3)C1)OCO2
210257040	ZINC000019525502	ref	10.98	-10.16	0	384.524	4.882	0	5	7	CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)C(CC)CC)n1
210257042	ZINC000019527093	ref	8.96	-25.01	0	383.452	1.689	1	6	4	CCN1CC[C@@]2(CCC1=O)C[C@@H](NC(=O)Cn1cncn1)c1ccccc1O2
214186363	ZINC000337624369	ref	4.49	-10.65	0	289.385	3.324	1	5	4	O=C(CCc1nccs1)Nc1ccc2scnc2c1
214186368	ZINC000337628126	ref	7.86	-14.11	0	296.301	3.382	1	3	4	N#Cc1c(F)cccc1Oc1ccc(C(=O)NC2CC2)cc1
214186371	ZINC000337625856	ref	2.36	-9.67	0	263.359	0.416	2	5	6	COC(=O)[C@@](C)(O)CNC(=O)C(C)(C)CSC
342596146	ZINC000616968529	ref	1.05	-17.84	0	289.154	1.129	2	3	2	O=C(N[C@H]1CCNC1=O)c1sccc1Br
282122788	ZINC000449153495	ref	5.48	-38.96	1	296.798	2.148	2	2	7	COc1ccc(CCNC(=O)[C@@H](C)[NH2+]C2CC2)c(Cl)c1
214186377	ZINC000337625540	ref	6.94	-10.94	0	286.322	3.478	1	2	3	Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@@H]2C(F)F)o1
282122793	ZINC000449153495	high	4.43	-11.69	0	296.798	2.148	2	3	7	COc1ccc(CCNC(=O)[C@@H](C)NC2CC2)c(Cl)c1
342596147	ZINC000616968119	ref	3.9	-19.22	0	298.346	1.107	2	4	3	Cc1ccccc1-n1ncc(C(=O)N[C@@H]2CCNC2=O)c1C
342596148	ZINC000616976054	ref	6.71	-11.7	0	264.373	1.567	0	4	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2nnn(C)c2C1
214186380	ZINC000337626454	ref	7.14	-7.18	0	273.38	2.34	1	3	4	C[C@@H]1CCCCN1C(=O)c1ccc(NCC2CC2)nc1
210257045	ZINC000019524461	ref	5.26	-13.5	0	387.465	2.46	0	8	5	CCn1cc(C(=O)N2CCO[C@@H](c3nc(Cc4cccs4)no3)C2)c(C)n1
210257048	ZINC000019524645	ref	0.53	-20.67	0	388.453	2.182	0	8	5	CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccnc3)o2)c(C)n1
214186383	ZINC000337625683	ref	4.27	-11.37	0	259.26	0.973	2	4	4	C[C@H](NC(=O)NC1(C(F)F)CC1)c1nncn1C
342596149	ZINC000616967868	ref	2.96	-16.5	0	275.352	1.517	3	3	6	CCCCNc1ccccc1C(=O)N[C@H]1CCNC1=O
178305407	ZINC000042290515	low	8.22	-99.84	2	229.327	2.578	1	1	1	Cc1cc2[nH+]cn([C@@H]3CCC[NH2+]C3)c2cc1C
214186387	ZINC000337625407	ref	2.38	-19.06	0	284.36	0.003	2	5	9	CCN(CCOCCO)C(=O)NCCc1cnn(C)c1
230730576	ZINC000450410455	ref	0.4	-9.66	0	301.35	1.15	1	6	3	Cc1cncc(-c2nc(CN3CCNC(=O)C3(C)C)no2)c1
230730579	ZINC000450408752	ref	3.0	-19.48	0	319.34	1.145	2	6	4	Cc1nnnn1-c1ccc(C(=O)NC2(CO)CCCC2)c(F)c1
342079377	ZINC000625304932	mid	5.4	-37.65	1	285.428	1.911	2	3	4	CC(C)(C)[C@H]1CC[N@@H+](CCOC2CCOCC2)C[C@H]1O
365636787	ZINC000336552063	mid	6.04	-38.99	1	254.399	2.493	1	3	3	Cc1ncsc1CC[N@H+]1CCOC(C)(C)[C@@H]1C
365636792	ZINC000336552063	mid	4.16	-4.99	0	254.399	2.493	0	4	3	Cc1ncsc1CCN1CCOC(C)(C)[C@@H]1C
230730589	ZINC000450408715	ref	4.83	-14.36	0	322.361	1.021	0	7	6	CCOC(=O)c1ccc(CN2C[C@@H](OC)C[C@H]2C(=O)OC)nc1
342079378	ZINC000625304932	high	2.88	-3.95	0	285.428	1.911	1	4	4	CC(C)(C)[C@H]1CCN(CCOC2CCOCC2)C[C@H]1O
365636797	ZINC000336552454	ref	4.41	-31.17	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)sc1C
365636800	ZINC000336552454	mid	4.71	-27.92	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)sc1C
365636804	ZINC000336552454	mid	2.65	-5.15	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@H](C)[C@@H]2CO)sc1C
230730597	ZINC000450409877	ref	7.34	-37.71	1	303.406	1.928	1	4	5	CCOC(=O)c1ccc(CN2CC[NH+](C3CCC3)CC2)nc1
230730599	ZINC000450409877	mid	5.16	-5.73	0	303.406	1.928	0	5	5	CCOC(=O)c1ccc(CN2CCN(C3CCC3)CC2)nc1
306234683	ZINC000557913006	ref	7.4	-14.86	0	347.39	1.4	0	4	3	C[C@H]1CN(c2cccc(F)c2)CCN1C(=O)[C@@H](C)N1C(=O)CCC1=O
365636808	ZINC000336552408	ref	7.17	-8.63	0	272.348	2.264	1	2	3	CCC1(CC)NC(=O)N(C2Cc3ccccc3C2)C1=O
365636812	ZINC000336553970	ref	3.61	-6.21	0	260.362	2.484	0	4	2	c1ccc2sc(C3CN([C@@H]4CCOC4)C3)nc2c1
365636814	ZINC000336553970	mid	6.57	-39.22	1	260.362	2.484	1	3	2	c1ccc2sc(C3C[NH+]([C@@H]4CCOC4)C3)nc2c1
365636818	ZINC000336554012	ref	7.28	-43.29	1	265.328	2.458	1	2	3	Fc1ccc(OC2CC[NH+]([C@H]3CCOC3)CC2)cc1
197593621	ZINC000290096228	ref	6.89	-10.94	0	276.384	2.635	1	3	3	CCc1nn(C)cc1NC(=O)N1CC(C)(C)[C@H]1C1CC1
365636822	ZINC000336554012	high	5.07	-4.57	0	265.328	2.458	0	3	3	Fc1ccc(OC2CCN([C@H]3CCOC3)CC2)cc1
365636826	ZINC000336551973	ref	8.7	-16.51	0	278.396	2.202	0	2	3	CCCC(=O)N1CCC[C@H]1C(=O)N1CC(C)=C[C@H](C)C1
365636828	ZINC000336551975	ref	7.85	-14.96	0	278.396	2.202	0	2	3	CCCC(=O)N1CCC[C@@H]1C(=O)N1CC(C)=C[C@@H](C)C1
365636830	ZINC000336553726	ref	3.18	-4.59	0	265.328	2.114	1	3	3	OC1(CN2CCO[C@@H](c3ccc(F)cc3)C2)CCC1
343994010	ZINC000079917807	high	4.78	-7.96	0	278.396	2.289	1	3	8	COc1ccc(CNC(=O)CN(C)CCC(C)C)cc1
282122789	ZINC000533470075	high	2.32	-8.04	0	283.416	1.271	2	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1
282123642	ZINC000248985771	low	2.67	-29.07	1	305.378	1.609	3	5	7	Cc1ccccc1-c1nc(C[N@H+](C[C@H](C)O)[C@H](C)CO)no1
210257050	ZINC000019522794	ref	3.09	-17.52	0	381.458	0.688	1	7	6	CCc1cc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)on1
365636824	ZINC000576598724	ref	4.7	-108.27	2	228.38	1.923	2	2	6	COCC1(NCC[NH2+]C(C)(C)C)CCCC1
210257055	ZINC000019524103	ref	8.86	-13.3	0	393.491	3.043	1	6	6	CCn1nc2c(c1C(=O)N[C@@H](c1cccc(OC)c1)c1nccn1C)CCCC2
210257057	ZINC000019524103	low	9.38	-36.76	1	393.491	3.043	1	5	6	CCn1nc2c(c1C(=O)N[C@@H](c1cccc(OC)c1)c1[nH+]ccn1C)CCCC2
210257059	ZINC000019527098	ref	6.61	-26.75	0	384.44	1.084	1	7	4	CCN1CC[C@]2(CCC1=O)C[C@@H](NC(=O)Cn1cnnn1)c1ccccc1O2
210257062	ZINC000019527001	ref	6.16	-24.05	0	390.465	1.953	1	7	7	CCN1C[C@@H](C(=O)Nc2nnc(Cc3ccc(OC)c(OC)c3)s2)CC1=O
342079379	ZINC000608862857	ref	2.5	-9.4	0	279.34	1.72	0	6	7	COC(=O)[C@@H](C)CN(Cc1nnc(C2CC2)o1)C1CC1
214186369	ZINC000278488777	ref	5.49	-12.14	0	313.394	2.173	0	3	2	Cc1cc(F)cc(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c1
342079380	ZINC000608862857	low	4.63	-40.24	1	279.34	1.72	1	5	7	COC(=O)[C@@H](C)C[N@H+](Cc1nnc(C2CC2)o1)C1CC1
210257064	ZINC000019523695	ref	7.16	-21.05	0	398.507	1.672	0	6	5	CCn1nc(CC(=O)N2CCCC[C@H]2CN2CCOCC2)c2ccccc2c1=O
210257066	ZINC000019523695	mid	9.13	-47.01	1	398.507	1.672	1	5	5	CCn1nc(CC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c2ccccc2c1=O
210257068	ZINC000019527130	ref	9.34	-40.22	1	394.563	3.405	1	4	8	CC[N@@H+]1CCC[C@H]1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1
342079381	ZINC000608862857	low	4.27	-40.63	1	279.34	1.72	1	5	7	COC(=O)[C@@H](C)C[N@@H+](Cc1nnc(C2CC2)o1)C1CC1
342079382	ZINC000600311925	ref	7.16	-42.58	1	263.385	1.918	2	2	3	C[N@@H+]1CCCC[C@H](CNC(=O)C2(C#N)CCCC2)C1
342079383	ZINC000600311925	mid	7.22	-41.35	1	263.385	1.918	2	2	3	C[N@H+]1CCCC[C@H](CNC(=O)C2(C#N)CCCC2)C1
342079384	ZINC000625304410	ref	7.69	-12.28	0	260.341	1.544	0	4	2	CC(C)c1nnc2n1CCN(C(=O)C13CC(C1)C3)C2
342079385	ZINC000625303439	ref	5.77	-45.21	1	299.374	1.929	0	5	5	COc1cncc(CN2CCO[C@@H](Cc3ccccc3)C2)n1
343994012	ZINC000599269378	high	2.06	-10.74	0	296.411	1.559	1	5	6	CCOC1CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1
342079386	ZINC000625303439	low	4.62	-42.21	1	299.374	1.929	1	4	5	COc1cncc(C[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)n1
343994014	ZINC000599270669	ref	6.6	-17.6	0	279.283	1.068	0	4	8	COC(=O)[C@@H](C)CN(C(=O)COCC(F)F)C1CC1
230730596	ZINC000425457423	ref	3.83	-10.12	0	317.436	2.043	2	6	7	COC(=O)c1cnc([C@@H](C)NC(=O)NCCCSC)s1
365636829	ZINC000354710150	ref	2.5	-12.22	0	274.328	1.377	3	4	4	Cc1cncc(CNC(=O)N[C@H](C)c2nnc(C)[nH]2)c1
178302617	ZINC000082800147	ref	5.86	-15.32	0	260.742	2.481	0	3	4	CC(=O)C[C@H](C)S(=O)(=O)c1ccccc1Cl
365636832	ZINC000354710150	mid	2.5	-12.22	0	274.328	1.377	3	4	4	Cc1cncc(CNC(=O)N[C@H](C)c2n[nH]c(C)n2)c1
282122791	ZINC000248976864	ref	5.22	-22.24	0	322.792	1.94	2	3	5	NC(=O)[C@@H]1CC[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)O1
282122796	ZINC000248972078	ref	2.85	-11.42	0	319.467	1.924	1	4	4	C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C
282122798	ZINC000248971460	ref	5.12	-9.56	0	313.442	1.698	1	3	5	CCN(C)C(=O)[C@H](C)NC(=O)N(C)[C@@H]1C[C@](C)(OC)C1(C)C
282122807	ZINC000248975379	ref	3.59	-35.46	1	308.422	1.614	3	4	7	Cc1cc(C)c(NC(=O)CN(C[C@@H](C)O)[C@H](C)CO)c(C)c1
178302619	ZINC000082802966	ref	5.32	-50.38	1	298.39	1.54	2	3	3	Cc1nn(C)c(C)c1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21
282122810	ZINC000248975379	mid	3.72	-34.94	1	308.422	1.614	4	3	7	Cc1cc(C)c(NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c(C)c1
282122813	ZINC000248975379	mid	3.59	-35.46	1	308.422	1.614	4	3	7	Cc1cc(C)c(NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)c(C)c1
178302621	ZINC000082802966	high	3.8	-11.18	0	298.39	1.54	2	4	3	Cc1nn(C)c(C)c1CNC(=O)[C@H]1CNCc2ccccc21
365636835	ZINC000354709747	ref	3.86	-48.52	1	293.342	1.331	3	2	5	Cc1cc(F)ccc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365636839	ZINC000354709749	ref	3.85	-48.56	1	293.342	1.331	3	2	5	Cc1cc(F)ccc1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365636842	ZINC000354708719	ref	5.68	-13.85	0	263.341	1.255	0	4	3	COC[C@@H]1CCN(C(=O)[C@H]2CCCc3nccn32)C1
365636844	ZINC000354708719	mid	6.15	-32.25	1	263.341	1.255	0	3	3	COC[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1
349534936	ZINC000618813578	ref	4.52	-11.85	0	275.337	1.63	1	5	3	CN(Cc1cn(C)nn1)C(=O)c1cc2ccsc2[nH]1
342079387	ZINC000625303439	low	5.77	-45.21	1	299.374	1.929	1	4	5	COc1cncc(C[N@H+]2CCO[C@@H](Cc3ccccc3)C2)n1
365636848	ZINC000354708365	ref	3.06	-6.87	0	291.395	1.881	0	5	4	COc1c(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)c(C)nn1C
219047910	ZINC000286547180	ref	4.23	-16.0	0	306.391	2.764	0	6	4	CCCc1ncc(C(=O)N2CCC[C@H]2c2nc(C)no2)s1
398245358	ZINC000650858302	ref	0.11	-9.79	0	299.346	1.39	3	4	9	CCCOc1ccc(CNC(=O)N[C@@H](CO)CCF)cn1
219047922	ZINC000286547341	ref	5.95	-14.98	0	315.373	1.444	0	5	2	O=C(Cn1ncc2ccccc21)N1CCO[C@@]2(CCCOC2)C1
219047925	ZINC000286546173	ref	3.77	-9.83	0	308.382	0.334	1	5	4	CC[C@@H]1CO[C@H](C)CN1C(=O)C(=O)NCCn1cc(C)cn1
342596150	ZINC000616968403	ref	2.48	-19.57	0	298.289	1.225	2	3	6	O=C(CCc1ccc(OC(F)F)cc1)N[C@@H]1CCNC1=O
214186373	ZINC000278487416	ref	10.06	-99.63	2	324.472	3.349	3	1	6	Cc1ccc(-c2n[nH]cc2C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1
306234684	ZINC000557902272	ref	4.0	-52.27	1	345.509	1.088	3	3	6	CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1
219047930	ZINC000286548208	ref	5.79	-5.93	0	318.417	1.636	1	3	4	Cc1ccc(C(C)(C)CNC(=O)C(=O)N(C)[C@H]2CCOC2)cc1
219047933	ZINC000286548242	ref	6.66	-6.66	0	320.408	2.692	2	2	6	CC(C)=CCCNC(=O)C(=O)NCC(C)(C)c1ccc(F)cc1
219047941	ZINC000286546560	ref	8.21	-8.7	0	314.364	3.152	1	5	3	Fc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCC2)ncn1
342596151	ZINC000616967875	ref	1.08	-17.87	0	291.332	1.33	2	5	3	Cc1sc(-c2ccco2)nc1C(=O)N[C@@H]1CCNC1=O
342596152	ZINC000616976052	ref	6.51	-11.68	0	264.373	1.567	0	4	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2nnn(C)c2C1
219047944	ZINC000286546560	low	8.68	-36.4	1	314.364	3.152	1	4	3	Fc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCC2)nc[nH+]1
219047947	ZINC000286546560	low	8.67	-34.7	1	314.364	3.152	1	4	3	Fc1cccc2c1OCC[C@@H]2Nc1cc(N2CCCC2)[nH+]cn1
192339899	ZINC000421444505	ref	7.68	-7.51	0	235.302	3.149	0	1	1	Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1C
168366130	ZINC000335016074	mid	4.31	-34.45	1	196.338	2.034	2	1	3	C[C@@H](N)[C@@H](C)[NH2+]C1CCC2(CC1)CC2
219047950	ZINC000286546484	ref	10.09	-15.21	0	306.41	1.673	0	4	4	CC(C)N(CC(=O)N1CCCCCC1)C(=O)c1cn(C)cn1
342596153	ZINC000616968317	ref	2.78	-19.6	0	271.32	1.403	3	2	2	Cc1[nH]c2c(C(=O)N[C@@H]3CCNC3=O)cccc2c1C
342596154	ZINC000616968713	ref	3.4	-16.94	0	266.728	1.277	2	2	4	O=C(CCc1cccc(Cl)c1)N[C@@H]1CCNC1=O
342596155	ZINC000616968358	ref	1.44	-16.81	0	267.354	1.022	2	4	4	CCCc1nc(C)c(C(=O)N[C@H]2CCNC2=O)s1
342596156	ZINC000616968071	ref	3.63	-18.45	0	288.347	1.626	2	3	4	O=C(N[C@H]1CCNC1=O)c1ccc(OC2CCCC2)cc1
210257069	ZINC000019527130	mid	10.52	-28.0	1	394.563	3.405	1	4	8	CC[N@H+]1CCC[C@H]1CN(Cc1ccc(N2CCOCC2)cc1)Cc1cccnc1
210257072	ZINC000019527193	ref	9.3	-39.95	1	383.54	3.464	1	5	8	CC[N@@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccnn1[C@@H]1CCCCO1
398245359	ZINC000649443730	low	7.91	-32.21	1	240.31	2.591	0	3	1	Cc1c(-c2ccc3c(c2)[nH+]c(C)n3C)cnn1C
210257074	ZINC000019527193	mid	8.31	-38.54	1	383.54	3.464	1	5	8	CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccnn1[C@@H]1CCCCO1
210257076	ZINC000019527193	high	6.99	-7.81	0	383.54	3.464	0	6	8	CCN1CCC[C@@H]1CN(Cc1cccnc1)Cc1ccnn1[C@@H]1CCCCO1
398245363	ZINC000649440691	ref	8.89	-40.56	1	226.323	2.853	1	1	4	C[NH+](C)CCc1ccc(-c2cccnc2)cc1
210257049	ZINC000265967784	ref	-1.17	-18.78	0	367.349	0.276	2	5	5	O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@](O)(C(F)(F)F)C1
210257052	ZINC000265964397	ref	4.0	-15.58	0	361.398	0.327	1	5	5	COC[C@@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CCO1
210257054	ZINC000265963148	ref	-0.96	-32.36	0	362.43	0.964	5	4	7	NC(=O)CCNC(=O)c1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1
210257058	ZINC000265968732	ref	-0.72	-13.78	0	371.459	0.846	3	5	6	CC(C)[C@@H](O)CNC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
210257060	ZINC000265966653	ref	3.26	-15.33	0	351.403	0.739	1	5	6	COc1cc(OC)c(CCNC(=O)N2CCN(C)C(=O)C2)c(OC)c1
210257063	ZINC000265965990	ref	0.54	-15.15	0	356.448	0.385	2	6	7	CCO[C@@H]1C[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C12CCC2
210257067	ZINC000265969419	ref	3.34	-12.63	0	368.441	0.275	2	6	6	CNC(=O)c1ccc(N2CCN(CC(=O)NCc3ccccc3)CC2)nn1
210257070	ZINC000265969419	low	5.5	-50.45	1	368.441	0.275	3	5	6	CNC(=O)c1ccc(N2CC[NH+](CC(=O)NCc3ccccc3)CC2)nn1
210257073	ZINC000265969356	ref	7.43	-17.27	0	361.442	0.981	0	5	5	CCN(CC)C(=O)CN1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21
178302622	ZINC000090741206	ref	4.45	-9.53	0	235.243	1.554	1	5	3	Cc1cc2nc(C)n(CCO)c2cc1[N+](=O)[O-]
178302627	ZINC000090741206	low	4.89	-39.13	1	235.243	1.554	1	4	3	Cc1cc2[nH+]c(C)n(CCO)c2cc1[N+](=O)[O-]
210257075	ZINC000265967976	ref	3.4	-21.75	0	366.443	0.621	1	7	9	CCc1c(C(=O)NCCOCCS(C)(=O)=O)cnn1-c1ccccn1
349534937	ZINC000594969088	ref	8.33	-15.49	0	284.363	2.62	1	5	8	CCn1ccc(NCc2cccc(OCCCC#N)c2)n1
365636831	ZINC000336553726	mid	4.94	-37.61	1	265.328	2.114	2	2	3	OC1(C[N@@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CCC1
230730617	ZINC000450409323	ref	5.76	-16.17	0	316.405	1.948	1	5	7	Cc1nn(C)c(C)c1CCCNC(=O)[C@H](C)Oc1ccccn1
365636833	ZINC000336553726	mid	5.49	-38.22	1	265.328	2.114	2	2	3	OC1(C[N@H+]2CCO[C@@H](c3ccc(F)cc3)C2)CCC1
342596157	ZINC000616968331	ref	1.76	-19.86	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1c(F)cccc1Cl
365636838	ZINC000336551960	ref	5.92	-8.62	0	277.389	2.476	1	3	3	O=C(NCc1ccc2c(c1)COC2)C1CCSCC1
365636840	ZINC000336553444	ref	7.26	-32.31	1	287.403	2.465	2	2	2	OC1(C[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)CCCC1
230730624	ZINC000450408712	ref	2.09	-11.09	0	319.386	1.417	1	6	7	COC(=O)c1csc(CN(CC(N)=O)Cc2ccccc2)n1
230730626	ZINC000450407234	ref	3.82	-10.0	0	301.346	1.715	2	6	5	COc1ccc(-c2ccnc(NC[C@]3(O)CCOC3)n2)cc1
365636843	ZINC000336553444	mid	7.5	-36.37	1	287.403	2.465	2	2	2	OC1(C[N@H+]2CCO[C@]3(CCc4ccccc43)C2)CCCC1
365636845	ZINC000336553444	high	5.78	-5.32	0	287.403	2.465	1	3	2	OC1(CN2CCO[C@]3(CCc4ccccc43)C2)CCCC1
365636847	ZINC000336553933	ref	4.05	-33.35	1	250.342	2.292	1	3	2	Cc1nc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)oc1C
190493812	ZINC000269431836	ref	8.58	-7.93	0	287.403	2.941	1	2	8	COCCC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1
349534938	ZINC000258912587	ref	7.79	-45.52	-1	235.287	1.944	0	5	3	CN(c1ncncc1C(=O)[O-])C1CCCCC1
185089004	ZINC000096075953	mid	1.51	-9.39	0	275.352	1.018	0	4	4	COCCN1CC[C@@]12CCN(C(=O)c1cccnc1)C2
190493814	ZINC000269436213	ref	-0.73	-18.58	0	269.345	-0.483	2	4	8	C=CC(=O)NCCC(=O)NCCCN1CCOCC1
190493815	ZINC000269436213	mid	1.7	-54.46	1	269.345	-0.483	3	3	8	C=CC(=O)NCCC(=O)NCCC[NH+]1CCOCC1
365636849	ZINC000336553933	mid	4.22	-34.61	1	250.342	2.292	1	3	2	Cc1nc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)oc1C
190493816	ZINC000269432201	ref	4.08	-9.64	0	253.317	2.41	2	2	3	C[C@H](NC(=O)C(C)(C)C)[C@H](O)c1cccc(F)c1
365636852	ZINC000336553933	mid	2.06	-7.53	0	250.342	2.292	0	4	2	Cc1nc(CN2CCC[C@H]3COCC[C@@H]32)oc1C
349534942	ZINC000602431716	ref	3.72	-52.69	1	223.32	1.17	2	2	6	CCC(C#N)(CC)C(=O)N[C@@H](C[NH3+])C1CC1
168366132	ZINC000042463978	ref	1.61	-40.23	1	186.299	0.833	1	2	4	C[C@@H]([NH3+])[C@@H](C)N(C)C[C@@H]1CCCO1
365636854	ZINC000336552985	ref	5.71	-37.03	1	252.383	2.372	1	3	2	Cc1nc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c(C)s1
365636855	ZINC000336552985	mid	5.4	-37.09	1	252.383	2.372	1	3	2	Cc1nc(C[N@H+]2CC[C@@]3(CCOC3)C2)c(C)s1
342596158	ZINC000616968109	ref	3.66	-19.25	0	298.346	1.107	2	4	3	Cc1ccc(-n2ncc(C(=O)N[C@H]3CCNC3=O)c2C)cc1
214186374	ZINC000053508723	ref	8.63	-10.8	0	331.441	2.596	0	5	3	O=C(CSc1ncc2ccccn12)N1CCO[C@@H]2CCCC[C@H]21
214186379	ZINC000053508723	low	9.11	-36.51	1	331.441	2.596	0	4	3	O=C(CSc1[nH+]cc2ccccn12)N1CCO[C@@H]2CCCC[C@H]21
214186386	ZINC000053507134	ref	4.65	-10.5	0	333.432	1.572	1	4	6	O=C(NC[C@@H]1CCCO1)N1CCN(CCOc2ccccc2)CC1
214186389	ZINC000053507134	low	6.9	-44.88	1	333.432	1.572	2	3	6	O=C(NC[C@@H]1CCCO1)N1CC[NH+](CCOc2ccccc2)CC1
214186393	ZINC000053503002	ref	5.3	-19.32	0	347.39	1.915	2	3	4	CC(=O)Nc1ccc(F)c(C(=O)N2CCC(NC(=O)C3CC3)CC2)c1
214186398	ZINC000053514134	ref	3.33	-17.06	0	331.825	1.127	1	3	3	CS(=O)(=O)N1CCN(C(=O)NCc2ccccc2Cl)CC1
178302623	ZINC000237209506	ref	8.02	-53.47	1	367.449	1.769	1	3	6	C[NH2+]CC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
214186402	ZINC000053506326	ref	3.59	-16.47	0	348.447	1.161	2	4	7	CCc1ccccc1NC(=O)CN1CCN(C(=O)NCCOC)CC1
214186406	ZINC000053517452	ref	8.08	-16.55	0	334.423	2.563	1	3	4	O=C(c1ccc2[nH]cnc2c1)N1CCN(CCc2ccccc2)CC1
214186410	ZINC000053517452	mid	10.29	-57.16	1	334.423	2.563	2	2	4	O=C(c1ccc2[nH]cnc2c1)N1CC[NH+](CCc2ccccc2)CC1
214186414	ZINC000053510795	ref	5.23	-12.75	0	330.413	1.811	1	4	3	O=C(NCc1ccncc1)N1CCN(C(=O)c2cccs2)CC1
214186419	ZINC000053513857	ref	6.5	-10.83	0	325.796	2.324	1	3	3	CCOC(=O)N1CCN(C(=O)NCc2ccccc2Cl)CC1
178302625	ZINC000237209506	high	6.57	-15.01	0	367.449	1.769	1	4	6	CNCC(=O)N1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1
214186423	ZINC000053507429	ref	2.74	-19.16	0	337.351	0.903	2	4	4	COC(=O)NCC(=O)NC1CCN(C(=O)c2ccccc2F)CC1
214186430	ZINC000053507917	ref	5.62	-18.07	0	342.399	2.044	2	5	8	CCN(CC)c1ccc(NC(=O)c2ccc(OCC(N)=O)cc2)cn1
178302628	ZINC000237220296	ref	6.44	-48.03	1	359.474	1.269	2	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)C1
214186435	ZINC000053508614	ref	6.3	-9.69	0	329.444	2.206	1	3	5	O=C(NC[C@@H]1CCCO1)N1CCN(C/C=C/c2ccccc2)CC1
214186440	ZINC000053508614	low	8.55	-47.01	1	329.444	2.206	2	2	5	O=C(NC[C@@H]1CCCO1)N1CC[NH+](C/C=C/c2ccccc2)CC1
210257078	ZINC000265968225	ref	3.66	-31.61	0	355.42	0.824	3	7	6	COC(=O)CCCc1nnc(NC(=O)N[C@@H]2CCCCNC2=O)s1
210257083	ZINC000265967836	ref	1.53	-19.93	0	374.363	0.917	1	5	6	CC(=O)N1CCN(CCNC(=O)c2ccnc(OCC(F)(F)F)c2)CC1
210257087	ZINC000265967836	low	3.68	-63.44	1	374.363	0.917	2	4	6	CC(=O)N1CC[NH+](CCNC(=O)c2ccnc(OCC(F)(F)F)c2)CC1
210257089	ZINC000265967046	ref	0.85	-15.03	0	356.444	0.91	2	5	8	CNS(=O)(=O)c1ccc(C(=O)NCCCOC2CCOCC2)cc1
210257093	ZINC000265963922	ref	-0.8	-12.77	0	362.213	0.395	4	4	7	CC(=O)NCC(=O)NCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl
210257096	ZINC000265962820	ref	2.88	-16.2	0	353.444	0.535	1	4	5	CC(C)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C)C(=O)C2)cc1
282123682	ZINC000151697169	ref	3.67	-8.96	0	305.422	2.392	3	2	4	C[C@@H](NC(N)=O)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1
398245361	ZINC000094522299	high	8.05	-34.89	1	246.398	2.981	2	1	6	C[N@H+](Cc1cccc(C2CC2)c1)CC(C)(C)CN
306234685	ZINC000557902272	mid	4.08	-52.32	1	345.509	1.088	3	3	6	CC(C)C[N@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1
323004606	ZINC000561614880	ref	2.17	-44.71	1	241.335	0.051	2	2	4	CC[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)CC(N)=O
190493817	ZINC000269430730	ref	3.63	-14.18	0	280.393	1.735	2	4	5	O=C(CSCc1ccccn1)N[C@@H]1CCCC[C@@H]1O
210257099	ZINC000265970393	ref	5.68	-21.84	0	363.443	0.819	0	6	3	CC(=O)N1CCCN(S(=O)(=O)c2cnn(-c3ccccn3)c2C)CC1
342596159	ZINC000616968382	ref	2.03	-18.56	0	257.293	1.095	3	2	2	Cc1ccc2[nH]c(C(=O)N[C@H]3CCNC3=O)cc2c1
210257101	ZINC000265969480	ref	5.86	-44.92	1	361.446	0.365	3	4	7	CC[N@H+](CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C1CC1
210257104	ZINC000265969480	mid	5.97	-44.12	1	361.446	0.365	3	4	7	CC[N@@H+](CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C1CC1
210257071	ZINC000428391018	ref	4.3	-18.91	0	338.389	0.268	1	7	7	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)c1cn(C)cn1
349534939	ZINC000618813760	ref	6.38	-10.98	0	256.309	1.113	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1Cc2ccccc21
190493818	ZINC000269434790	ref	2.91	-19.03	0	254.286	-0.181	1	4	3	COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1
349534945	ZINC000618813829	ref	7.52	-12.09	0	272.352	1.796	0	4	6	CN(Cc1cn(C)nn1)C(=O)CCCc1ccccc1
199273070	ZINC000294963139	high	4.17	-8.92	0	251.305	1.462	1	2	1	C[C@H]1CN2CCC[C@@H]2CN1C(=O)c1cc(F)c[nH]1
349534948	ZINC000618812876	ref	4.61	-11.09	0	265.704	1.136	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1cc(Cl)ccn1
300267962	ZINC000294244482	high	2.34	-46.11	-1	270.279	1.333	0	3	2	C[C@H]1CN(Cc2c(F)ccc([O-])c2F)CC(=O)N1C
342079388	ZINC000625305047	ref	4.36	-10.88	0	290.371	1.287	2	6	8	CCN(CCCO)c1nnc(-c2cn[nH]c2)n1CC1CC1
214186382	ZINC000278486990	ref	5.79	-7.86	0	319.386	2.838	1	6	5	CCCc1nc(C)c(C(=O)Nc2ccncc2C(=O)OC)s1
342079389	ZINC000608862821	ref	8.5	-48.38	1	278.352	1.159	1	4	6	COC(=O)[C@H](C)C[N@H+](Cc1ccn(C)c(=O)c1)C1CC1
349534940	ZINC000093285710	ref	2.83	-13.31	0	255.322	0.429	2	5	7	CC(C)OCCCNC(=O)NCc1ncn(C)n1
349534944	ZINC000093272432	ref	3.87	-14.75	0	287.371	0.706	0	7	4	CN(c1cccnn1)C1CCN(Cc2cnnn2C)CC1
349534953	ZINC000093272432	mid	6.23	-55.99	1	287.371	0.706	1	6	4	CN(c1cccnn1)C1CC[NH+](Cc2cnnn2C)CC1
349534958	ZINC000093261116	ref	0.11	-11.71	0	260.297	0.547	1	5	4	N#CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1
349534961	ZINC000093274408	ref	0.37	-7.33	0	278.356	0.842	0	6	4	Cc1nc(CN2CCN(CC3=CCCOC3)CC2)no1
349534967	ZINC000093274408	mid	2.6	-39.42	1	278.356	0.842	1	5	4	Cc1nc(CN2CC[NH+](CC3=CCCOC3)CC2)no1
349534973	ZINC000093274549	ref	-0.95	-10.19	0	262.317	0.419	1	6	4	Cc1nc(CN2CCN(Cc3cc[nH]n3)CC2)no1
349534977	ZINC000093283398	ref	-0.53	-12.1	0	291.359	0.078	0	8	5	CCc1nc(CN2CCN(Cc3cnnn3C)CC2)no1
214186385	ZINC000278488697	ref	7.54	-63.59	1	308.397	2.713	1	2	5	CCOc1ccc(C[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)cc1F
349534982	ZINC000093288587	ref	2.48	-41.78	1	298.431	0.489	3	3	5	C[C@H](CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)N1CCOCC1
349534986	ZINC000093288587	low	4.65	-89.13	2	298.431	0.489	4	2	5	C[C@H](CNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1)[NH+]1CCOCC1
349534992	ZINC000093261092	ref	5.01	-11.26	0	296.371	0.972	1	5	7	CCOCCN(C)C(=O)C(=O)Nc1cnn(CC(C)C)c1
349534995	ZINC000093261771	ref	2.31	-13.23	0	265.313	0.62	2	4	1	C[C@@H]1CCN(C(=O)Nc2cccn(C)c2=O)C[C@H]1O
349535001	ZINC000093288143	ref	4.47	-9.4	0	285.388	0.923	1	3	7	COCCN1CCN(C(=O)NCCCC(C)C)CC1=O
229487957	ZINC000310072170	ref	4.96	-11.02	0	233.311	1.849	1	2	5	Cc1ccc(/C=C\C(=O)N(C)CCCO)cc1
229487968	ZINC000310072258	ref	6.26	-7.53	0	227.311	3.398	1	3	6	C=CCCCCNc1cnc2ccccc2n1
229487983	ZINC000310116801	ref	9.61	-42.14	1	249.423	3.789	1	1	4	Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCSC2)cc1
229488045	ZINC000177133397	ref	6.73	-6.0	0	211.349	2.975	1	1	6	CC[C@@]1(C)C[C@H]1C(=O)NCCCC(C)C
185089006	ZINC000096076066	ref	5.06	-42.94	1	292.398	2.247	2	2	4	CC(C)(O)C[N@@H+]1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1
178302630	ZINC000039104914	ref	6.06	-7.06	0	200.285	3.249	1	2	1	Cc1cc2nc(N)ccc2cc1C(C)C
210257077	ZINC000428391018	high	4.03	-58.73	-1	338.389	0.268	0	7	7	CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)c1cn(C)cn1
178302635	ZINC000039104914	low	6.5	-26.7	1	200.285	3.249	1	1	1	Cc1cc2[nH+]c(N)ccc2cc1C(C)C
210257079	ZINC000428391108	ref	-0.23	-20.34	0	334.332	0.597	2	5	5	N#Cc1ncccc1S(=O)(=O)N[C@H](C(N)=O)c1ccc(F)cc1
210257081	ZINC000428391108	high	-0.46	-49.6	-1	334.332	0.597	1	5	5	N#Cc1ncccc1S(=O)(=O)[N-][C@H](C(N)=O)c1ccc(F)cc1
210257085	ZINC000428403700	ref	0.81	-15.9	0	329.393	1.0	2	4	6	O=S(=O)(NC[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCOC1
210257090	ZINC000428377385	ref	2.57	-57.55	1	336.388	0.525	3	5	7	COc1cc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc(OC)c1OCC(N)=O
398245362	ZINC000650857872	ref	1.39	-10.19	0	267.329	1.774	1	4	4	CC[C@H]1CN(C(=O)NCc2cocn2)[C@H](CC)CO1
214186388	ZINC000278488697	mid	6.33	-12.7	0	308.397	2.713	1	3	5	CCOc1ccc(CN[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1F
398245366	ZINC000650857839	ref	-0.78	-11.07	0	299.396	1.353	3	5	5	Cc1nc([C@H](C)NC(=O)NCC[C@]2(O)CCOC2)cs1
365636834	ZINC000576598724	mid	3.48	-31.79	1	228.38	1.923	2	1	6	COCC1([NH2+]CC[NH2+]C(C)(C)C)CCCC1
214186392	ZINC000278487160	ref	3.33	-57.87	1	312.391	1.332	3	5	7	O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C[C@@H]2CCSC2)cc1
210257094	ZINC000428377385	mid	2.49	-56.38	1	336.388	0.525	3	5	7	COc1cc(C[N@H+]2C[C@H](O)C3(CC3)C2)cc(OC)c1OCC(N)=O
398245373	ZINC000650858407	ref	2.37	-8.83	0	271.386	1.925	2	4	5	Cc1nc([C@@H](C)NC(=O)N(C)[C@@H](C)CCO)cs1
398245376	ZINC000650857174	ref	0.13	-9.42	0	275.349	1.225	3	4	7	CCc1nc(CNC(=O)N[C@H](CO)CCF)cs1
398245380	ZINC000650858062	ref	1.37	-10.21	0	267.329	1.774	1	4	3	CC[C@H]1COC(C)(C)CN1C(=O)NCc1cocn1
210257095	ZINC000428377385	mid	-0.18	-16.1	0	336.388	0.525	2	6	7	COc1cc(CN2C[C@H](O)C3(CC3)C2)cc(OC)c1OCC(N)=O
210257098	ZINC000428385321	ref	2.72	-13.01	0	330.406	0.512	1	6	10	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)CCCOC
365636837	ZINC000576598724	high	3.48	-31.79	1	228.38	1.923	2	2	6	COCC1([NH2+]CCNC(C)(C)C)CCCC1
178302655	ZINC000062533549	ref	0.82	-5.25	0	242.076	2.184	2	3	0	Cc1cc2[nH]c(=NN)oc2cc1Br
185089009	ZINC000096076066	mid	4.95	-41.59	1	292.398	2.247	2	2	4	CC(C)(O)C[N@H+]1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1
342079390	ZINC000608862821	mid	8.34	-46.29	1	278.352	1.159	1	4	6	COC(=O)[C@H](C)C[N@@H+](Cc1ccn(C)c(=O)c1)C1CC1
342079391	ZINC000618607185	ref	0.79	-11.44	0	287.266	1.269	1	5	5	COc1ncnc(OC)c1C(=O)NC[C@@]1(C)CC1(F)F
342079392	ZINC000625304476	ref	7.32	-52.37	1	296.378	1.894	1	5	6	C[C@@H]([NH2+]CCc1cn(C)nn1)c1cccc(-n2cccn2)c1
342079393	ZINC000608861236	ref	4.74	-10.74	0	257.33	1.071	0	4	4	COC(=O)[C@H](C)CN(C)C(=O)C1(C)CCOCC1
349534941	ZINC000594969442	ref	7.04	-11.94	0	297.406	2.93	1	5	4	CC(C)(NCc1cn(C(C)(C)C)nn1)c1cccc(C#N)c1
349534943	ZINC000594969442	mid	8.12	-50.08	1	297.406	2.93	1	4	4	CC(C)([NH2+]Cc1cn(C(C)(C)C)nn1)c1cccc(C#N)c1
349534949	ZINC000594968642	ref	8.42	-51.54	1	286.335	2.661	1	4	7	C=CCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1
349534952	ZINC000594968896	ref	5.87	-44.05	1	271.451	2.836	1	2	4	Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1
349534957	ZINC000594968913	ref	6.03	-45.58	1	269.385	2.605	1	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2F)C1
349534959	ZINC000594968913	high	4.84	-12.68	0	269.385	2.605	1	2	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2ccccc2F)C1
349534962	ZINC000594969589	ref	5.39	-36.56	1	299.509	2.969	1	4	6	CSCc1cnc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)s1
349534965	ZINC000594969589	mid	7.63	-33.24	1	299.509	2.969	2	4	6	CSCc1cnc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)s1
349534969	ZINC000594969589	mid	7.28	-32.12	1	299.509	2.969	2	4	6	CSCc1cnc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)s1
349534972	ZINC000594969589	mid	4.35	-3.99	0	299.509	2.969	1	5	6	CSCc1cnc(CNC[C@@H]2CCN2C(C)(C)C)s1
192339901	ZINC000273863750	ref	4.75	-6.46	0	281.331	2.402	2	3	3	CO[C@@H]1[C@H](C)[C@H](NC(=O)Nc2ccncc2F)C1(C)C
192339904	ZINC000273864594	ref	2.54	-10.1	0	281.312	0.947	1	6	7	CCCC[C@H](NC(=O)c1ccc(OC)nn1)C(=O)OC
229488053	ZINC000177129144	ref	6.21	-7.45	0	239.281	3.079	0	1	4	CC(C)CC(C)(C)C(=O)N(C)CC(F)(F)F
229488063	ZINC000177119562	ref	5.55	-11.1	0	242.319	1.522	1	3	4	COC(=O)CCCNC(=O)N1[C@@H](C)CC[C@H]1C
229488077	ZINC000177142988	ref	8.58	-5.18	0	225.376	3.316	0	1	5	CC[C@]1(C)C[C@H]1C(=O)N(CC(C)C)C(C)C
229488115	ZINC000177106142	ref	6.55	-6.38	0	241.375	2.696	0	2	4	COC(C)(C)C(=O)N1CCC[C@H](CC(C)C)C1
229488126	ZINC000310116319	ref	3.93	-5.97	0	243.391	2.726	2	2	8	CCCC[C@@H](CC)C(=O)NC[C@](C)(O)C(C)C
229488133	ZINC000310085526	ref	7.88	-36.08	1	239.403	3.36	1	1	5	C[C@H]([NH2+]CC[C@H]1CCC[C@@H](C)C1)[C@@H]1CCCO1
229488147	ZINC000310109268	ref	8.36	-42.6	1	233.355	3.67	1	1	4	CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2occc2C)C1
342596160	ZINC000616968302	ref	3.45	-19.59	0	274.345	1.448	2	3	3	O=C(Cc1csc2ccccc12)N[C@H]1CCNC1=O
210257103	ZINC000428385321	high	2.5	-49.01	-1	330.406	0.512	0	6	10	CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)CCCOC
178302633	ZINC000237223206	ref	5.53	-46.85	1	359.474	1.737	1	5	6	C[NH2+]C[C@H]1CCCN1C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
178302636	ZINC000237216672	ref	8.03	-59.93	-1	354.353	1.75	0	4	5	CN(CCC(=O)[O-])C(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1
210257107	ZINC000428388077	ref	0.41	-14.3	0	325.39	0.675	1	6	8	N#Cc1ncccc1S(=O)(=O)NCCCOC[C@H]1CCOC1
210257111	ZINC000428388077	high	0.58	-47.5	-1	325.39	0.675	0	6	8	N#Cc1ncccc1S(=O)(=O)[N-]CCCOC[C@H]1CCOC1
210257117	ZINC000428389328	ref	1.84	-14.89	0	337.344	0.909	2	5	8	COC(=O)c1ccccc1CS(=O)(=O)N[C@@H](CO)CC(F)F
210257120	ZINC000428389328	high	1.8	-49.7	-1	337.344	0.909	1	5	8	COC(=O)c1ccccc1CS(=O)(=O)[N-][C@@H](CO)CC(F)F
282122792	ZINC000170737565	ref	6.88	-41.69	1	305.426	1.279	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)[N@@H+]1[C@@H](C)CC[C@H]1C)CC2
210257123	ZINC000428373622	ref	0.41	-13.61	0	337.401	0.681	2	6	6	COCCn1cc(S(=O)(=O)N[C@H]2Cc3cccc(O)c3C2)cn1
343994013	ZINC000079913750	ref	4.09	-13.51	0	278.362	2.091	1	6	3	Cc1ncsc1C(=O)NCc1cn2ccsc2n1
214186396	ZINC000337626469	ref	3.27	-17.95	0	286.288	-0.108	1	7	8	CCn1cc([N+](=O)[O-])c(C(=O)N(C)CCOCCO)n1
210257127	ZINC000428377975	ref	1.18	-15.33	0	325.365	0.993	3	4	6	O=S(=O)(NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1c[nH]cn1
210257130	ZINC000428377975	high	1.74	-55.76	-1	325.365	0.993	2	4	6	O=S(=O)([N-]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)c1c[nH]cn1
210257135	ZINC000428381871	ref	0.54	-13.11	0	344.38	0.112	2	5	8	CCOC(=O)C1CCN(S(=O)(=O)N[C@@H](CO)CC(F)F)CC1
342596161	ZINC000616968462	ref	1.07	-18.15	0	289.154	1.129	2	3	2	O=C(N[C@@H]1CCNC1=O)c1csc(Br)c1
210257139	ZINC000428386535	ref	-1.53	-17.91	0	334.344	0.267	3	4	6	O=C1NCCc2ccc(S(=O)(=O)N[C@@H](CO)CC(F)F)cc21
210257143	ZINC000428401895	ref	1.39	-15.91	0	334.401	0.633	1	5	3	N#Cc1ncccc1S(=O)(=O)N1CCCC[C@@H]1[C@H]1CNC(=O)C1
210257080	ZINC000019522896	ref	9.46	-9.82	0	382.508	2.917	1	5	4	CCc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1
342596162	ZINC000616968018	ref	1.1	-18.28	0	274.276	1.06	2	4	3	COc1cccc2cc(C(=O)N[C@H]3CCNC3=O)oc12
210256174	ZINC000428366274	ref	1.3	-16.78	0	347.375	0.875	3	6	7	COc1cc(NC(=O)CNC(=O)NCc2nccn2C)cc(OC)c1
214186397	ZINC000278486743	ref	5.78	-50.89	1	320.364	2.612	2	3	8	CCOc1ccc(C[NH2+][C@H](C)C(=O)NCc2ccco2)cc1F
214186400	ZINC000278486743	mid	4.53	-11.86	0	320.364	2.612	2	4	8	CCOc1ccc(CN[C@H](C)C(=O)NCc2ccco2)cc1F
214186405	ZINC000278488520	ref	5.38	-12.2	0	323.396	3.382	2	3	6	COc1cc(CNC(=O)C[C@@H](C)c2c[nH]c3ccccc23)ccn1
214186412	ZINC000278487506	ref	6.6	-23.29	0	320.389	1.289	1	5	4	COC(=O)C1CCC(C(=O)NCc2ccc(C)n(C)c2=O)CC1
214186416	ZINC000278488043	ref	5.9	-10.7	0	307.39	2.637	1	4	5	COc1cc(C(=O)N[C@H]2CCOC[C@H]2C)ccc1OC(C)C
349534946	ZINC000602430726	ref	3.51	-36.78	1	230.308	0.298	2	3	6	CC[NH2+][C@@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C
214186420	ZINC000278488896	ref	5.6	-9.17	0	318.215	1.958	0	5	7	CCCN(CC(=O)OCC)Cc1c(Br)cnn1C
398245364	ZINC000651429212	ref	9.28	-8.72	0	291.435	3.232	0	2	2	O=C([C@@H]1C[C@H]1C1CCCC1)N1CCC[C@]2(CCCOC2)C1
398245371	ZINC000651429396	ref	5.86	-57.7	1	297.358	3.13	2	3	5	Cc1cccnc1CC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1
178302637	ZINC000082802940	ref	8.57	-54.13	1	292.382	2.458	1	1	1	O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc2C1
349534947	ZINC000602430726	high	2.36	-6.26	0	230.308	0.298	2	4	6	CCN[C@@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C
214186425	ZINC000278488811	ref	4.92	-16.44	0	313.401	2.168	2	3	6	C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCCN2C2CC2)cc1
178302639	ZINC000082802940	high	7.18	-8.86	0	292.382	2.458	1	2	1	O=C([C@H]1CNCc2ccccc21)N1CCc2ccccc2C1
214186427	ZINC000278488811	mid	7.04	-42.09	1	313.401	2.168	3	2	6	C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1
398245378	ZINC000651429161	ref	8.34	-12.18	0	294.358	3.167	0	5	3	Cc1cc(C)cc(C2(c3noc(-c4ccn(C)n4)n3)CC2)c1
214186431	ZINC000278488811	mid	6.64	-49.89	1	313.401	2.168	3	2	6	C=CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)cc1
178302641	ZINC000082802891	ref	7.61	-55.94	1	266.344	2.536	1	1	2	CN(C(=O)[C@@H]1C[NH2+]Cc2ccccc21)c1ccccc1
349534950	ZINC000602431232	ref	6.87	-34.06	1	243.347	1.686	1	3	5	CC[C@](C)(C[N@@H+]1CCC[C@H](C(=O)OC)C1)OC
349534954	ZINC000602431232	mid	7.52	-29.33	1	243.347	1.686	1	3	5	CC[C@](C)(C[N@H+]1CCC[C@H](C(=O)OC)C1)OC
349534956	ZINC000602430614	ref	4.06	-46.2	1	237.347	1.432	2	2	5	CCC(C#N)(CC)C(=O)NC[C@@H]1CCC[NH2+]C1
168366136	ZINC000042463978	low	3.1	-105.51	2	186.299	0.833	2	1	4	C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C[C@@H]1CCCO1
229488164	ZINC000310066659	ref	4.54	-4.43	0	241.306	3.06	1	3	5	COc1ccc(F)c(N[C@H](C)C(C)(C)OC)c1
365636850	ZINC000354708365	low	5.69	-31.49	1	291.395	1.881	1	4	4	COc1c(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(C)nn1C
365636853	ZINC000354708365	low	6.04	-33.14	1	291.395	1.881	1	4	4	COc1c(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)c(C)nn1C
365639276	ZINC000274369209	ref	3.72	-6.07	0	299.317	1.777	1	3	4	C[C@H](O)C[C@H]1COCCN1C(=O)C(F)(F)c1ccccc1
365639278	ZINC000274370335	ref	5.07	-40.27	1	282.319	1.015	2	3	3	C[NH+](C)C[C@H]1CN(C(=O)Nc2cccc(F)n2)CCO1
282122794	ZINC000151665438	ref	4.44	-10.79	0	309.431	2.069	2	4	6	CSCc1ccc(C(=O)NCC2(CO)CCOCC2)cc1
342596163	ZINC000616967653	ref	4.79	-16.83	0	290.338	1.642	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2cccc(F)c2)CCCC1
342596164	ZINC000616976048	ref	6.29	-11.72	0	264.373	1.567	0	4	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2nnn(C)c2C1
282122801	ZINC000151673598	ref	6.3	-11.22	0	314.426	2.175	1	4	6	CC(C)CNC(=O)CN(C[C@H]1CCCO1)C(=O)OC(C)(C)C
282122805	ZINC000151682133	ref	9.31	-18.96	0	324.465	2.439	0	3	4	CC(C)[C@@H](C(=O)N1CCC(OC(C)(C)C)CC1)N1CCCC1=O
342596165	ZINC000616968332	ref	1.76	-18.43	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1c(F)cccc1Cl
230730639	ZINC000425462924	ref	2.93	-20.34	0	304.456	2.081	2	3	8	CCC1(CNC(=O)NCCCCS(C)(=O)=O)CCCC1
365639281	ZINC000274370335	high	2.55	-8.44	0	282.319	1.015	1	4	3	CN(C)C[C@H]1CN(C(=O)Nc2cccc(F)n2)CCO1
365639286	ZINC000274370680	ref	2.27	-7.09	0	269.297	1.161	2	5	4	CC(C)(C)OC(=O)C(=O)N[C@H](CCO)c1ccco1
342596166	ZINC000616968553	ref	1.08	-18.48	0	291.332	1.33	2	5	3	Cc1ccc(-c2nc(C(=O)N[C@@H]3CCNC3=O)cs2)o1
342596167	ZINC000616968381	ref	2.03	-18.56	0	257.293	1.095	3	2	2	Cc1ccc2[nH]c(C(=O)N[C@@H]3CCNC3=O)cc2c1
365639292	ZINC000274371298	ref	1.19	-10.82	0	250.302	1.149	3	4	3	O=C(Nc1cncnc1)N[C@H]1CCCC[C@@H]1CO
282122812	ZINC000151668030	ref	2.12	-12.38	0	317.389	2.268	2	6	8	COc1cc([C@@H](C)N[C@@H](C)c2cnccn2)ccc1OCCO
342596168	ZINC000616967711	ref	4.34	-18.06	0	272.348	1.421	2	2	3	Cc1cccc(C2(C(=O)N[C@@H]3CCNC3=O)CCC2)c1
342596169	ZINC000616968530	ref	1.05	-17.81	0	289.154	1.129	2	3	2	O=C(N[C@@H]1CCNC1=O)c1sccc1Br
282122818	ZINC000151668030	mid	3.1	-47.1	1	317.389	2.268	2	5	8	COc1cc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)ccc1OCCO
282122822	ZINC000151664122	ref	1.01	-13.0	0	311.345	2.399	2	5	5	CC(C)c1nnc(/C=C/C(=O)NCc2nc3ccccc3[nH]2)o1
365639299	ZINC000274368227	ref	4.21	-10.52	0	250.302	1.509	1	4	3	CCC[C@@H]1CN(C(=O)Nc2cncnc2)CCO1
178302640	ZINC000237217509	ref	5.34	-39.17	1	356.47	1.675	1	3	3	CN(C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
214186404	ZINC000337626165	ref	-0.74	-13.81	0	270.333	-0.135	3	3	3	NC(=O)NC[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1
210257082	ZINC000019522896	mid	12.13	-45.1	1	382.508	2.917	2	4	4	CCc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1
214186408	ZINC000337625300	ref	3.62	-8.6	0	259.415	2.043	2	3	6	CSCC(C)(C)C(=O)N[C@@H]1CCC[C@H]1CCO
210257084	ZINC000019522896	mid	12.13	-45.11	1	382.508	2.917	2	4	4	CCc1ccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1
214186411	ZINC000337627545	ref	0.07	-18.05	0	271.317	-0.611	2	6	7	C[C@@H](CO)N(C[C@@H](C)O)C(=O)COc1cnn(C)c1
210257086	ZINC000019522896	high	8.62	-46.72	-1	382.508	2.917	0	5	4	CCc1ccc(CN2CCc3c(nc(N4C[C@H](C)O[C@H](C)C4)[n-]c3=O)C2)cc1
178302642	ZINC000237211992	ref	4.75	-45.47	1	361.486	1.714	2	3	8	COCCCNC(=O)C1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1
214186413	ZINC000337624377	ref	2.71	-14.62	0	283.291	2.07	1	6	4	CCc1ocnc1C(=O)Nc1cnccc1-n1cccn1
214186415	ZINC000337624377	mid	3.16	-39.58	1	283.291	2.07	1	5	4	CCc1ocnc1C(=O)Nc1c[nH+]ccc1-n1cccn1
365636857	ZINC000336552985	mid	3.3	-4.78	0	252.383	2.372	0	4	2	Cc1nc(CN2CC[C@@]3(CCOC3)C2)c(C)s1
214186418	ZINC000337627586	ref	7.42	-11.92	0	285.225	2.446	2	3	4	O=C(COc1ccccc1)Nc1nc(C(F)(F)F)c[nH]1
365636859	ZINC000336552852	ref	5.82	-34.03	1	252.383	2.452	1	3	2	Cc1csc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)n1
185089010	ZINC000096075995	ref	7.97	-42.87	1	274.368	1.12	1	3	3	Cn1cncc1C(=O)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
185089012	ZINC000096075995	mid	8.0	-43.95	1	274.368	1.12	1	3	3	Cn1cncc1C(=O)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
210257088	ZINC000019526033	ref	8.39	-14.74	0	377.492	3.752	1	5	4	CCCn1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)c(C)n1
214186421	ZINC000337627586	mid	7.34	-11.31	0	285.225	2.446	2	3	4	O=C(COc1ccccc1)Nc1ncc(C(F)(F)F)[nH]1
398245365	ZINC000094522299	high	8.22	-34.67	1	246.398	2.981	2	1	6	C[N@@H+](Cc1cccc(C2CC2)c1)CC(C)(C)CN
210256180	ZINC000428366274	low	1.82	-39.59	1	347.375	0.875	3	5	7	COc1cc(NC(=O)CNC(=O)NCc2[nH+]ccn2C)cc(OC)c1
342596170	ZINC000616967792	ref	3.38	-17.82	0	276.336	1.077	2	3	5	Cc1cccc(C)c1OCCC(=O)N[C@H]1CCNC1=O
210257091	ZINC000019526861	ref	6.55	-21.7	0	385.468	0.565	0	5	3	CCN1C[C@@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O
210257092	ZINC000019523075	ref	8.66	-16.78	0	387.465	2.461	1	7	5	CCc1ccccc1Nc1noc2c1CN(S(=O)(=O)c1cn(C)cn1)CC2
178302643	ZINC000082802891	high	6.48	-10.39	0	266.344	2.536	1	2	2	CN(C(=O)[C@@H]1CNCc2ccccc21)c1ccccc1
342079394	ZINC000625303440	ref	5.63	-46.03	1	299.374	1.929	0	5	5	COc1cncc(CN2CCO[C@H](Cc3ccccc3)C2)n1
214186424	ZINC000337625887	ref	3.77	-13.12	0	298.387	0.564	1	3	3	CCN(CC)C(=O)N1CCN(C(=O)N[C@@H]2CCOC2)CC1
342079395	ZINC000625303440	low	5.14	-44.42	1	299.374	1.929	1	4	5	COc1cncc(C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)n1
210257097	ZINC000019526565	ref	12.66	-41.05	1	396.531	4.35	1	3	6	CCN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(C[NH+]2CCCCC2)c(C)o1
210257100	ZINC000019526565	mid	10.23	-7.93	0	396.531	4.35	0	4	6	CCN(C[C@@H]1OCCc2ccccc21)C(=O)c1cc(CN2CCCCC2)c(C)o1
412491595	ZINC000355368400	ref	8.6	-16.7	0	315.297	-0.825	1	11	4	CN(C)c1nc(N)nc(Cn2c(-c3ncccn3)noc2=O)n1
214186432	ZINC000337625850	ref	6.96	-7.74	0	273.38	2.244	2	3	7	CCC[C@@H]1C[C@H]1NC(=O)c1ccc(NCC2CC2)nc1
210257102	ZINC000019526060	ref	6.35	-12.83	0	391.537	2.937	1	5	7	CCCn1cc(S(=O)(=O)NCC2(c3cccc(C)c3)CCOCC2)c(C)n1
210257105	ZINC000019526467	ref	5.1	-16.84	0	395.529	1.147	0	5	5	CCN(CC)S(=O)(=O)N1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1
342079396	ZINC000625303440	low	5.63	-46.03	1	299.374	1.929	1	4	5	COc1cncc(C[N@H+]2CCO[C@H](Cc3ccccc3)C2)n1
214186436	ZINC000337627198	ref	4.16	-8.79	0	254.374	2.435	2	2	5	COCC1(CNC(=O)NC2(C)CCCC2)CCC1
214186439	ZINC000337627570	ref	2.32	-21.02	0	273.358	0.072	1	5	7	C[C@@H](CC[S@](C)=O)NC(=O)COc1cnn(C)c1
342079397	ZINC000625303950	ref	5.96	-15.2	0	282.25	1.773	0	5	2	Cc1nnc2n1CCN(C(=O)c1coc(C(F)F)c1)C2
349534951	ZINC000618812965	ref	6.92	-20.97	0	272.352	1.967	0	4	5	CC[C@H](C(=O)N(C)Cc1cn(C)nn1)c1ccccc1
342079398	ZINC000032106284	ref	6.4	-18.24	0	273.248	1.857	1	5	4	COc1cnc(C=Cc2ccc([N+](=O)[O-])cc2)[nH]c1=O
342079399	ZINC000032106284	mid	5.41	-43.21	-1	273.248	1.857	0	5	4	COc1cnc(C=Cc2ccc([N+](=O)[O-])cc2)[n-]c1=O
214186443	ZINC000337624375	ref	4.22	-16.01	0	285.278	3.231	1	4	2	Cc1ccc(C(=O)Nc2cnc3onc(C)c3c2)cc1F
210257108	ZINC000019526308	ref	12.1	-42.76	1	390.531	4.352	2	2	6	CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)c1ccccc1
197593642	ZINC000162817488	ref	8.13	-5.59	0	312.2	4.659	1	4	4	COc1ccc(Cl)cc1Nc1cc(Cl)nc(C(C)C)n1
342596171	ZINC000616968120	ref	3.9	-19.15	0	298.346	1.107	2	4	3	Cc1ccccc1-n1ncc(C(=O)N[C@H]2CCNC2=O)c1C
342596172	ZINC000616967636	ref	2.25	-16.49	0	282.727	1.114	2	3	5	O=C(CCOc1ccc(Cl)cc1)N[C@H]1CCNC1=O
210257110	ZINC000019526308	mid	10.14	-12.5	0	390.531	4.352	1	3	6	CCN(CC)[C@@H](C(=O)N1CCC[C@H](c2cc3cccnc3[nH]2)C1)c1ccccc1
210257112	ZINC000019522641	ref	9.93	-16.19	0	392.459	3.197	1	5	5	CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[nH]2)no1
306234686	ZINC000557902271	ref	4.07	-51.86	1	345.509	1.088	3	3	6	CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1
342596173	ZINC000616968081	ref	3.32	-20.06	0	291.738	1.45	2	3	2	Cn1c(C(=O)N[C@@H]2CCNC2=O)c(Cl)c2ccccc21
342596174	ZINC000616968017	ref	1.1	-18.28	0	274.276	1.06	2	4	3	COc1cccc2cc(C(=O)N[C@@H]3CCNC3=O)oc12
349534955	ZINC000618813360	ref	6.45	-11.8	0	278.743	1.67	0	4	4	CN(Cc1cn(C)nn1)C(=O)Cc1ccc(Cl)cc1
214186433	ZINC000278486892	ref	6.04	-9.1	0	317.429	3.1	2	3	7	COc1ccc(C(=O)NCC2([C@@H](O)C(C)C)CC2)cc1C1CC1
214186437	ZINC000278487128	ref	10.9	-15.78	0	314.385	2.896	0	4	5	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cccc(C#N)c1
342596175	ZINC000616968171	ref	3.12	-16.07	0	264.35	1.335	2	3	3	CSc1ccc(C)c(C(=O)N[C@@H]2CCNC2=O)c1
214186447	ZINC000278488199	ref	7.4	-12.24	0	304.312	3.394	2	2	6	CC[C@@H](C)[C@H](NC(=O)NOCc1ccccc1)C(F)(F)F
349534963	ZINC000618812776	ref	5.23	-23.63	0	274.324	1.025	0	5	5	COc1cccc(CC(=O)N(C)Cc2cn(C)nn2)c1
349534966	ZINC000618812718	ref	5.98	-14.56	0	295.346	1.778	2	4	3	Cn1ccnc1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21
214186449	ZINC000278487461	ref	9.92	-43.87	1	309.45	3.467	2	2	5	O[C@H](C[C@H]1CCC[N@@H+]1C[C@@H]1CCSC1)c1ccc(F)cc1
349534970	ZINC000618812718	low	6.46	-39.48	1	295.346	1.778	2	3	3	Cn1cc[nH+]c1CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21
349534974	ZINC000618814334	ref	7.4	-19.61	0	272.352	1.715	0	4	5	Cc1cccc(CCC(=O)N(C)Cc2cn(C)nn2)c1
214186453	ZINC000278487461	mid	8.32	-46.56	1	309.45	3.467	2	2	5	O[C@H](C[C@H]1CCC[N@H+]1C[C@@H]1CCSC1)c1ccc(F)cc1
214186434	ZINC000293585582	ref	0.25	-16.78	0	357.472	0.734	1	6	9	COCCc1ccc(OC[C@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1
282122795	ZINC000449153583	ref	7.01	-56.27	1	288.395	2.472	1	4	7	CCn1nnc(C)c1C[NH2+]C[C@@H](C)Oc1cccc(C)c1
178302646	ZINC000237211992	high	4.43	-12.49	0	361.486	1.714	2	4	8	COCCCNC(=O)C1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1
282122797	ZINC000449153583	high	5.66	-10.56	0	288.395	2.472	1	5	7	CCn1nnc(C)c1CNC[C@@H](C)Oc1cccc(C)c1
178302650	ZINC000237203570	ref	2.64	-45.2	1	369.462	1.236	2	3	6	CN(C(=O)CCNS(=O)(=O)c1ccccc1F)C1C[C@@H]2CC[C@H](C1)[NH2+]2
282122804	ZINC000449153964	ref	7.5	-39.4	1	298.39	2.19	2	3	6	C[C@@H]([NH2+]C1CC1)C(=O)N[C@H](C)c1ccccc1-n1cccn1
398245367	ZINC000649440685	ref	5.03	-6.92	0	219.24	2.667	0	4	3	COc1cc(OC)cc(-c2cnoc2C)c1
219047932	ZINC000350693358	ref	5.0	-9.11	0	273.336	2.348	2	5	5	COc1ccc(CNc2cc(C(C)C)ncn2)cc1O
297220581	ZINC000337857249	ref	5.26	-18.49	0	343.493	0.819	1	4	7	CNC(=O)CCN(C)C(=O)C1CCN(C(=O)[C@@H](C)CSC)CC1
178302654	ZINC000237203570	high	2.57	-68.16	0	369.462	1.236	1	3	6	CN(C(=O)CC[N-]S(=O)(=O)c1ccccc1F)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302658	ZINC000237223016	ref	6.98	-45.38	1	372.469	1.22	2	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)C1
219047938	ZINC000350686291	ref	7.08	-5.78	0	260.312	3.353	1	3	3	CO[C@H]1CC[C@H](Nc2nccc3ccc(F)cc23)C1
178302660	ZINC000237210059	ref	5.52	-45.65	1	352.46	1.396	2	5	6	Cc1cc(NC(=O)CSCC(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)no1
178302662	ZINC000237205247	ref	8.52	-84.41	2	353.466	1.958	3	2	7	C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1
178302665	ZINC000237205247	mid	7.12	-41.83	1	353.466	1.958	3	3	7	C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1
178302667	ZINC000237205247	high	4.66	-8.66	0	353.466	1.958	2	4	7	CN(C)CCOc1ccc(CNC(=O)[C@H]2Cc3ccccc3CN2)cc1
178302669	ZINC000237223040	ref	6.44	-60.18	-1	363.151	1.511	1	4	5	COC[C@@](C)(NC(=O)c1cccc(I)c1)C(=O)[O-]
398245370	ZINC000649443615	ref	3.03	-10.58	0	215.256	1.725	0	4	1	Cc1c(-c2cnc3c(c2)CCO3)cnn1C
178302674	ZINC000237205399	ref	4.59	-54.79	1	359.348	1.806	2	3	7	C[NH2+]CCCC(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
398245375	ZINC000649440621	ref	6.41	-5.3	0	241.334	3.308	1	2	4	CC(C)[C@@H](O)Cc1ccccc1-c1cccnc1
342596176	ZINC000616968536	ref	2.27	-17.12	0	282.727	1.114	2	3	5	O=C(CCOc1ccccc1Cl)N[C@@H]1CCNC1=O
398245369	ZINC000336778248	ref	2.98	-97.87	2	228.336	0.21	3	2	3	C[C@@H]1OCC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1
349534960	ZINC000258900586	ref	5.09	-49.06	1	239.334	2.488	2	1	6	Cc1cc(C[NH2+]C[C@@H](CO)C(C)C)ccc1F
349534964	ZINC000602430344	ref	4.71	-47.73	1	237.347	1.384	1	2	5	CCC(C#N)(CC)C(=O)N1CC[C@H](C[NH2+]C)C1
365636860	ZINC000336552852	mid	5.93	-33.36	1	252.383	2.452	1	3	2	Cc1csc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)n1
365636862	ZINC000336552852	high	3.51	-4.18	0	252.383	2.452	0	4	2	Cc1csc(CN2CCC[C@@H]3COCC[C@@H]32)n1
365636863	ZINC000336553163	ref	4.22	-30.72	1	254.399	2.353	2	3	3	Cc1nc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c(C)s1
365636865	ZINC000336553163	mid	4.2	-27.54	1	254.399	2.353	2	3	3	Cc1nc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c(C)s1
365636866	ZINC000336553163	mid	1.99	-6.77	0	254.399	2.353	1	4	3	Cc1nc(CN2CCC[C@@H](C)[C@@H]2CO)c(C)s1
185089014	ZINC000096075995	high	4.99	-11.24	0	274.368	1.12	0	4	3	Cn1cncc1C(=O)N1CC[C@]2(CCN2CC2CC2)C1
365636868	ZINC000336553552	ref	9.8	-48.95	1	297.402	2.365	1	3	3	Cc1nccn1CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1
365636869	ZINC000336553552	mid	10.07	-52.8	1	297.402	2.365	1	3	3	Cc1nccn1CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1
365636870	ZINC000336553552	mid	8.09	-9.41	0	297.402	2.365	0	4	3	Cc1nccn1CCN1CCO[C@]2(CCc3ccccc32)C1
365636872	ZINC000336553552	low	10.28	-100.4	2	297.402	2.365	1	2	3	Cc1[nH+]ccn1CC[N@@H+]1CCO[C@]2(CCc3ccccc32)C1
190493824	ZINC000269430119	ref	5.81	-18.58	0	273.279	2.275	1	3	7	CCCN(CC(F)F)C(=O)COc1ccccc1O
365636873	ZINC000336553552	low	10.54	-105.17	2	297.402	2.365	1	2	3	Cc1[nH+]ccn1CC[N@H+]1CCO[C@]2(CCc3ccccc32)C1
365636875	ZINC000336551902	ref	7.1	-17.84	0	270.336	2.076	0	4	1	CC1=C[C@H](C)CN(C(=O)c2cnn3ccc(C)nc23)C1
214186438	ZINC000293585582	low	3.13	-61.48	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@H](O)C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1
342596177	ZINC000616968267	ref	3.09	-15.84	0	285.303	1.268	2	4	3	Cc1ccc(-c2cc(C(=O)N[C@@H]3CCNC3=O)on2)cc1
342600545	ZINC000194694669	low	1.93	-11.97	0	260.297	1.569	2	4	2	C[C@H]1COCC[C@H]1C(=O)Nc1ccc2nn[nH]c2c1
365636876	ZINC000336552062	ref	6.03	-38.88	1	254.399	2.493	1	3	3	Cc1ncsc1CC[N@@H+]1CCOC(C)(C)[C@H]1C
365636878	ZINC000336552062	mid	5.96	-39.44	1	254.399	2.493	1	3	3	Cc1ncsc1CC[N@H+]1CCOC(C)(C)[C@H]1C
342596178	ZINC000616969506	ref	3.79	-16.78	0	278.739	1.448	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl
342596179	ZINC000616969685	ref	4.78	-17.85	0	274.364	1.432	2	2	5	CC(C)Cc1ccc(CC(=O)N[C@H]2CCNC2=O)cc1
342596180	ZINC000616976163	ref	8.62	-13.09	0	250.346	1.488	0	4	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2nncn2C1
282122799	ZINC000170737565	mid	5.74	-44.63	1	305.426	1.279	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)[N@H+]1[C@@H](C)CC[C@H]1C)CC2
365636864	ZINC000172914846	ref	5.61	-13.11	0	290.367	1.874	2	2	2	CCNC(=O)N1CCN(C(=O)Nc2ccc(C)cc2)CC1
365636867	ZINC000172909435	ref	4.51	-11.76	0	252.314	1.734	1	3	5	COc1ccccc1O[C@H](C)CNC(=O)N(C)C
230730658	ZINC000425457813	ref	7.38	-48.98	1	318.396	2.42	3	2	5	C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1
230730660	ZINC000425457813	mid	5.5	-13.48	0	318.396	2.42	2	3	5	CN(C)[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1
230730662	ZINC000425462461	ref	3.47	-20.09	0	304.456	2.079	2	3	7	CC[C@H]1CCC[C@H](NC(=O)NCCCCS(C)(=O)=O)C1
349534968	ZINC000602431158	ref	6.93	-38.25	1	241.331	1.44	1	3	5	COC(=O)[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)C1
185089016	ZINC000096078484	ref	1.92	-45.75	1	264.329	0.284	2	5	3	c1cnc(NC[C@H]2CO[C@@]3(C[NH2+]CCOC3)C2)cn1
349534971	ZINC000602431158	mid	7.07	-35.12	1	241.331	1.44	1	3	5	COC(=O)[C@@H]1CCC[N@@H+](CCC[C@H]2CCO2)C1
365636871	ZINC000172906476	ref	3.18	-12.22	0	275.308	1.616	2	4	6	COc1ccccc1O[C@H](C)CNC(=O)c1cn[nH]c1
342596181	ZINC000616969413	ref	2.51	-16.64	0	258.277	1.36	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)oc2ccccc12
214186442	ZINC000293585582	low	2.83	-60.6	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1
349534975	ZINC000258919599	ref	7.54	-60.58	1	220.341	2.454	1	2	6	CSc1ccc(CC[NH2+]CCC#N)cc1
342596182	ZINC000616969495	ref	3.63	-19.44	0	297.358	1.976	2	3	3	CC(C)c1cc(C(=O)N[C@H]2CCNC2=O)c2ccccc2n1
214186444	ZINC000293591124	ref	4.15	-13.48	0	359.386	0.679	2	7	7	CCOC(=O)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)cc1
342596183	ZINC000616969147	ref	2.65	-18.19	0	294.376	1.182	2	4	6	COc1ccc(SCCC(=O)N[C@H]2CCNC2=O)cc1
342596184	ZINC000616969433	ref	1.57	-19.05	0	288.303	1.198	2	4	4	COCc1c(C(=O)N[C@@H]2CCNC2=O)oc2ccccc12
342596185	ZINC000616969434	ref	1.57	-18.17	0	288.303	1.198	2	4	4	COCc1c(C(=O)N[C@H]2CCNC2=O)oc2ccccc12
342596186	ZINC000616968875	ref	3.6	-15.71	0	250.342	1.23	2	2	3	CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCNC2=O)C1(C)C
365636874	ZINC000172908147	ref	4.47	-10.94	0	275.352	1.458	1	3	3	CC(C)NC(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1
219047924	ZINC000097681847	ref	4.57	-16.22	0	349.398	1.22	1	6	4	O=C(c1ccccc1-c1nn[nH]n1)N1CCN(Cc2cccnc2)CC1
349534976	ZINC000594969010	ref	8.77	-52.69	1	256.353	2.732	1	3	6	CC[C@@H](C)CC[NH2+]Cc1cnc2ccc(C#N)cn12
178302657	ZINC000082802892	ref	7.54	-56.48	1	266.344	2.536	1	1	2	CN(C(=O)[C@H]1C[NH2+]Cc2ccccc21)c1ccccc1
219047927	ZINC000097681847	low	6.78	-51.86	1	349.398	1.22	2	5	4	O=C(c1ccccc1-c1nn[nH]n1)N1CC[NH+](Cc2cccnc2)CC1
219047929	ZINC000097681847	high	4.56	-55.98	-1	349.398	1.22	0	6	4	O=C(c1ccccc1-c1nnn[n-]1)N1CCN(Cc2cccnc2)CC1
178302661	ZINC000082802892	high	6.13	-9.93	0	266.344	2.536	1	2	2	CN(C(=O)[C@H]1CNCc2ccccc21)c1ccccc1
219047931	ZINC000097681847	high	4.54	-56.01	-1	349.398	1.22	0	6	4	O=C(c1ccccc1-c1nn[n-]n1)N1CCN(Cc2cccnc2)CC1
178302663	ZINC000082800553	ref	3.47	-33.95	0	276.134	1.399	1	4	4	C[C@@H](C[C@@](C)([NH3+])C(=O)[O-])n1cc(Br)cn1
178302664	ZINC000082802927	ref	5.89	-50.64	1	282.343	2.521	2	2	3	COc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1
214186445	ZINC000337624679	ref	2.4	-8.71	0	261.272	0.706	2	2	4	O=C(NCC(=O)N1CCCC1)NC1(C(F)F)CC1
219047934	ZINC000097680681	ref	6.55	-12.35	0	332.347	2.9	1	3	4	CN(CCC(F)(F)F)C(=O)C[C@@H]1Sc2ccccc2NC1=O
178302668	ZINC000082802927	high	4.31	-10.36	0	282.343	2.521	2	3	3	COc1ccc(NC(=O)[C@@H]2CNCc3ccccc32)cc1
342079400	ZINC000625304065	ref	6.63	-13.94	0	292.383	1.522	0	5	1	Cc1nnc2n1CCN(C(=O)[C@@H]1CC(C)(C)OC1(C)C)C2
210256186	ZINC000428366355	ref	0.45	-22.13	0	328.336	0.35	2	6	5	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)CN3CN=NC3=O)n2)c1
178302672	ZINC000082802935	ref	1.93	-49.66	1	289.379	0.322	2	3	4	O=C(NCCN1CCOCC1)[C@H]1C[NH2+]Cc2ccccc21
178302675	ZINC000082802935	low	4.36	-99.43	2	289.379	0.322	3	2	4	O=C(NCC[NH+]1CCOCC1)[C@H]1C[NH2+]Cc2ccccc21
178302676	ZINC000082802935	high	0.42	-9.87	0	289.379	0.322	2	4	4	O=C(NCCN1CCOCC1)[C@H]1CNCc2ccccc21
214186448	ZINC000337624596	ref	3.22	-17.59	0	298.306	0.645	2	5	4	Cn1cc(OCC(=O)N=c2cc(-c3ccncc3)[nH][nH]2)cn1
342079401	ZINC000625305052	ref	8.02	-13.46	0	288.351	1.97	0	5	4	CCc1nnc2n1CCN(C(=O)C[C@H](C)c1ccco1)C2
197593655	ZINC000290096302	ref	3.72	-12.26	0	254.33	0.98	1	4	8	CCc1c(C(=O)NCCOCCOC)ccn1C
342596187	ZINC000616968947	ref	3.4	-17.8	0	282.34	1.313	2	3	5	O=C(CCSc1ccccc1F)N[C@H]1CCNC1=O
342596188	ZINC000616976659	ref	4.85	-12.93	0	251.33	1.926	0	4	4	CC[C@H](C)N(CC)C(=O)c1cnn2c1OCCC2
210257115	ZINC000019522641	high	8.28	-56.06	-1	392.459	3.197	0	5	5	CCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)c(Cc3ccccc3)c(=O)[n-]2)no1
365636877	ZINC000172915600	ref	4.76	-7.46	0	265.309	1.829	1	5	6	CCOC(=O)CNc1ccc(O[C@H]2CCOC2)cc1
365636880	ZINC000172905370	ref	6.17	-11.44	0	289.379	1.802	0	3	4	CCCN(C)C(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1
210257118	ZINC000019525980	ref	9.14	-18.85	0	396.491	3.553	2	4	5	CCCn1c(C)cc2cc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)ccc21
342596189	ZINC000616969024	ref	4.79	-16.08	0	290.338	1.642	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccc(F)cc2)CCCC1
210257121	ZINC000019523896	ref	4.09	-19.49	0	379.486	1.524	1	5	4	CCn1ncc(C2=NS(=O)(=O)N(C)C(C(=O)NC3CCCCC3)=C2)c1C
342596190	ZINC000616969110	ref	4.6	-21.06	0	290.363	1.584	2	3	6	CC[C@H](C)c1ccccc1OCC(=O)N[C@H]1CCNC1=O
365636883	ZINC000172905175	ref	3.42	-40.5	-1	298.368	1.925	0	6	4	CCn1nc(C)c([N-]S(=O)(=O)c2c(C)noc2C)c1C
342596191	ZINC000616968978	ref	4.08	-17.92	0	271.32	1.036	2	3	4	O=C(CCn1ccc2ccccc21)N[C@@H]1CCNC1=O
210257106	ZINC000265969480	high	3.7	-16.07	0	361.446	0.365	2	5	7	CCN(CCNC(=O)[C@H]1CCCCN1C(=O)c1ccc(=O)[nH]n1)C1CC1
365636886	ZINC000172905175	low	3.27	-10.27	0	298.368	1.925	1	6	4	CCn1nc(C)c(NS(=O)(=O)c2c(C)noc2C)c1C
365636888	ZINC000172907624	ref	2.84	-19.97	0	277.324	1.363	2	3	4	COc1ccc(C(=O)NC(C)C)cc1N1CCNC1=O
185089017	ZINC000096076134	ref	10.07	-35.26	1	295.39	2.035	1	4	3	Cc1cccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n1
349534978	ZINC000258919599	mid	6.21	-8.66	0	220.341	2.454	1	3	6	CSc1ccc(CCNCCC#N)cc1
210257109	ZINC000265964802	ref	2.25	-22.79	0	355.46	0.784	2	4	8	COC[C@H]1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)C1
210257113	ZINC000265968475	ref	3.58	-44.74	1	374.529	0.937	3	4	6	C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)N1CC[NH+](C)CC1
365636891	ZINC000172907350	ref	1.14	-9.54	0	284.259	1.645	1	3	5	CN(C)S(=O)(=O)Nc1ccc(F)cc1OC(F)F
349534981	ZINC000258901666	ref	8.38	-36.68	0	225.313	2.045	1	3	5	C[N@H+](Cc1cccs1)CC1(C(=O)[O-])CC1
365636879	ZINC000336552062	mid	4.01	-4.94	0	254.399	2.493	0	4	3	Cc1ncsc1CCN1CCOC(C)(C)[C@H]1C
342079402	ZINC000625303459	ref	1.3	-10.08	0	262.313	1.941	1	6	5	COc1cncc(CN[C@@H](C)c2c(C)noc2C)n1
365636881	ZINC000336554096	ref	7.47	-45.19	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@@H+]1CCC[C@@H]2COCC[C@@H]21
365636882	ZINC000336554096	mid	7.83	-43.33	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@H+]1CCC[C@@H]2COCC[C@@H]21
365636884	ZINC000336552676	ref	6.86	-32.76	1	277.412	2.479	2	3	3	Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CC1(O)CCCC1
365636885	ZINC000336552676	mid	5.11	-31.69	1	277.412	2.479	2	3	3	Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CC1(O)CCCC1
178302670	ZINC000019733977	ref	3.99	-48.88	1	203.289	2.071	2	1	3	Cc1cc2nc(CCC[NH3+])[nH]c2cc1C
178302673	ZINC000019733977	low	4.44	-96.53	2	203.289	2.071	2	0	3	Cc1cc2[nH]c(CCC[NH3+])[nH+]c2cc1C
365636887	ZINC000336553220	ref	4.45	-34.25	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2CO)s1
214186446	ZINC000053508085	ref	1.34	-18.71	0	330.381	1.382	2	4	4	COc1ccc([C@H](C)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F
214186451	ZINC000053516601	ref	6.74	-17.15	0	345.378	1.649	0	6	3	O=C(Cn1nnc(-c2cccc(F)c2)n1)N1CCO[C@H]2CCCC[C@H]21
178302678	ZINC000073636011	ref	6.5	-43.48	1	242.322	3.164	1	2	1	Cc1cc2nc(C3=CC[N@H+](C)CC3)oc2cc1C
398245372	ZINC000336778248	high	0.62	-37.07	1	228.336	0.21	2	3	3	C[C@@H]1OCC[C@@H]1[NH2+]CC1(O)CCN(C)CC1
398245374	ZINC000094522107	ref	6.26	-38.11	1	230.355	2.358	1	1	4	CN(Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1
214186465	ZINC000053494672	ref	2.51	-16.02	0	325.434	1.476	3	3	7	CC(C)NS(=O)(=O)Cc1ccccc1CNC(=O)NC1CC1
365636889	ZINC000336553220	mid	4.23	-30.88	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)s1
398245379	ZINC000094522107	low	8.51	-113.28	2	230.355	2.358	2	0	4	C[N@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1
365636890	ZINC000336553220	high	2.67	-5.2	0	254.399	2.353	1	4	3	Cc1nc(C)c(CN2CCC[C@H](C)[C@@H]2CO)s1
259308340	ZINC000322971506	ref	3.86	-56.59	1	248.326	1.961	2	2	4	Cc1cc(C[NH3+])cc(NC(=O)C[C@@H]2CCCO2)c1
214186474	ZINC000053506760	ref	6.76	-12.82	0	345.468	3.364	1	4	3	O=C(NC[C@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1
210256195	ZINC000428366832	ref	0.32	-13.76	0	329.346	0.829	2	6	7	COC(=O)c1sccc1S(=O)(=O)N[C@H](CO)CC(F)F
398245382	ZINC000094522107	low	8.54	-111.41	2	230.355	2.358	2	0	4	C[N@@H+](Cc1cccc(C2CC2)c1)[C@@H]1CC[NH2+]C1
192339902	ZINC000421442328	ref	6.62	-5.72	0	219.275	2.536	0	1	4	CCN(CC(C)C)C(=O)[C@@]1(C)CC1(F)F
210257114	ZINC000265968475	low	5.45	-92.92	2	374.529	0.937	4	3	6	C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1
210257116	ZINC000265968475	high	1.24	-8.17	0	374.529	0.937	2	5	6	C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)N1CCN(C)CC1
342079403	ZINC000625303459	low	2.41	-50.33	1	262.313	1.941	1	5	5	COc1cncc(C[NH2+][C@@H](C)c2c(C)noc2C)n1
210257119	ZINC000265970453	ref	1.09	-14.03	0	351.432	0.186	1	7	6	Cc1c(S(=O)(=O)NCCN2CCOCC2)cnn1-c1ccccn1
210257122	ZINC000265968484	ref	2.77	-41.74	1	374.529	0.937	3	4	6	C[C@H](CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)N1CC[NH+](C)CC1
210257124	ZINC000265968484	low	5.44	-92.55	2	374.529	0.937	4	3	6	C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1)N1CC[NH+](C)CC1
210257125	ZINC000265968484	high	0.4	-6.45	0	374.529	0.937	2	5	6	C[C@H](CNC(=O)[C@H](c1ccccc1)N1CCC(O)CC1)N1CCN(C)CC1
210257128	ZINC000265966070	ref	1.88	-19.17	0	370.471	0.221	2	5	11	Cc1ccc(CCC(=O)NCC(=O)NCCOCCS(C)(=O)=O)cc1
210257131	ZINC000265966750	ref	-0.29	-24.78	0	371.459	0.471	4	6	10	COc1cc(CNC(=O)N[C@H](C)[C@H](CO)SC)ccc1OCC(N)=O
342079404	ZINC000608863038	ref	9.09	-41.3	1	279.384	1.626	1	4	8	COC(=O)[C@H](C)C[N@H+](CCCc1cnn(C)c1)C1CC1
214186458	ZINC000293593645	ref	2.77	-17.91	0	362.455	0.959	1	5	5	C[C@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@H](NS(C)(=O)=O)C1
214186462	ZINC000293589725	ref	3.77	-24.69	0	356.342	0.011	0	9	5	COC(=O)c1cn(CC(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)nn1
210257134	ZINC000265969740	ref	4.3	-31.06	0	358.358	0.836	2	7	4	Cn1cc(N2CCC[C@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cn1
210257136	ZINC000265967913	ref	5.71	-23.66	0	363.326	0.065	0	7	5	COC[C@@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1
210257138	ZINC000265964587	ref	7.22	-25.53	0	365.397	0.926	1	7	4	Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-n4ccnc4)nc3)C2=O)cn1
210257141	ZINC000265964587	low	7.77	-50.5	1	365.397	0.926	1	6	4	Cn1cc(N2CCC[C@H](NC(=O)c3ccc(-n4cc[nH+]c4)nc3)C2=O)cn1
210257146	ZINC000265967078	ref	5.04	-14.69	0	362.426	0.917	0	5	6	COC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CCO1
365636892	ZINC000336552853	ref	6.21	-31.65	1	252.383	2.452	1	3	2	Cc1csc(C[N@@H+]2CCC[C@H]3COCC[C@H]32)n1
342079405	ZINC000608863038	mid	9.01	-37.46	1	279.384	1.626	1	4	8	COC(=O)[C@H](C)C[N@@H+](CCCc1cnn(C)c1)C1CC1
342596192	ZINC000616968981	ref	4.09	-17.09	0	271.32	1.036	2	3	4	O=C(CCn1ccc2ccccc21)N[C@H]1CCNC1=O
342596193	ZINC000616969324	ref	4.42	-17.83	0	260.337	1.647	2	2	5	CCCCc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
197593664	ZINC000162812425	ref	8.04	-20.46	0	320.437	2.721	1	4	6	CCCCn1ncc(NC(=O)[C@@H]2CCCCN2C(=O)CC)c1C
342596194	ZINC000616969132	ref	3.85	-19.75	0	295.342	1.73	2	3	3	O=C(N[C@H]1CCNC1=O)c1cc(C2CC2)nc2ccccc12
199273071	ZINC000181260350	ref	6.81	-18.76	0	312.369	1.439	1	3	6	C#CCOc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1
342596195	ZINC000616968870	ref	2.15	-18.67	0	284.319	1.003	3	3	3	Cc1ccc(-c2cc(C(=O)N[C@H]3CCNC3=O)[nH]n2)cc1
349534979	ZINC000618812709	ref	7.29	-24.99	0	288.351	1.415	0	5	6	CCc1ccc(OCC(=O)N(C)Cc2cn(C)nn2)cc1
349534984	ZINC000618812551	ref	4.06	-9.42	0	299.128	1.443	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Br)o1
199273073	ZINC000181262389	ref	7.88	-40.43	1	315.461	2.069	2	2	5	Cc1cc(C)cc(/C=C/C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1
199273075	ZINC000181262389	mid	5.5	-7.86	0	315.461	2.069	1	3	5	Cc1cc(C)cc(/C=C/C(=O)N[C@@H](C)CN2CCN(C)CC2)c1
349534988	ZINC000618813730	ref	4.45	-25.0	0	278.287	1.235	0	5	4	COc1cccc(F)c1C(=O)N(C)Cc1cn(C)nn1
349534993	ZINC000618813662	ref	5.97	-22.74	0	288.351	1.333	0	5	5	COc1cc(CC(=O)N(C)Cc2cn(C)nn2)ccc1C
349534998	ZINC000618813129	ref	5.35	-19.66	0	273.34	1.362	0	5	5	C[C@@H](CC(=O)N(C)Cc1cn(C)nn1)c1cccnc1
349535000	ZINC000618813630	ref	5.43	-21.08	0	262.313	1.606	0	5	3	Cc1oc(C)c(C(=O)N(C)Cc2cn(C)nn2)c1C
349535005	ZINC000618812862	ref	5.42	-14.66	0	298.35	1.283	1	5	5	CN(Cc1cn(C)nn1)C(=O)CCc1nc2ccccc2[nH]1
349535009	ZINC000618813960	ref	5.31	-15.19	0	296.277	1.689	0	5	5	CN(Cc1cn(C)nn1)C(=O)c1ccccc1OC(F)F
349535014	ZINC000618813014	ref	4.24	-26.04	0	278.287	1.235	0	5	4	COc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1F
349535018	ZINC000618813828	ref	3.48	-12.16	0	280.715	1.446	1	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Cl)cc1O
349535022	ZINC000618813828	mid	4.41	-50.92	-1	280.715	1.446	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Cl)cc1[O-]
349535026	ZINC000618814139	ref	7.23	-24.8	0	288.351	1.469	0	5	5	Cc1ccc(OCC(=O)N(C)Cc2cn(C)nn2)c(C)c1
229488283	ZINC000310073373	ref	7.9	-31.52	1	239.403	3.526	1	1	6	CCOC[C@@H]([NH2+][C@H]1C=CCCCCC1)C(C)C
178302677	ZINC000237207816	ref	5.49	-48.02	1	360.863	1.747	1	4	5	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)C1
178302681	ZINC000237214350	ref	8.17	-61.03	-1	363.389	1.777	1	6	7	COC[C@@](C)(NC(=O)Cc1c(C)nn(-c2ccc(F)cc2)c1C)C(=O)[O-]
282952190	ZINC000127633477	low	7.0	-36.26	1	323.396	2.556	2	2	4	Cc1ccc(NC(=O)CNC(=O)c2ccc3c(c2)CCC3)c(C)[nH+]1
210257150	ZINC000265965179	ref	-1.07	-49.54	1	356.448	0.221	5	4	4	Cc1ccc(NC(=O)NCC2(O)CC[NH+](C)CC2)cc1S(N)(=O)=O
210257154	ZINC000265965179	high	-3.45	-15.23	0	356.448	0.221	4	5	4	Cc1ccc(NC(=O)NCC2(O)CCN(C)CC2)cc1S(N)(=O)=O
214186452	ZINC000337624596	high	3.1	-41.01	-1	298.306	0.645	1	5	4	Cn1cc(OCC(=O)N=c2cc(-c3ccncc3)[n-][nH]2)cn1
210257126	ZINC000019526232	ref	10.27	-16.29	0	394.479	2.441	0	5	5	CCN(CC)C(=O)CN1C(=O)N2CCCN=C2c2cnn(-c3ccc(C)cc3)c21
210257129	ZINC000019522306	ref	8.98	-19.96	0	392.385	3.021	0	6	3	CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3C(=O)c3ccn(C)n3)cc2n1
210257132	ZINC000019524038	ref	11.05	-35.79	1	399.539	3.737	1	5	5	CCn1ncc(-c2cc(C(=O)N3CCCC[C@H]3C[NH+]3CCCCCC3)no2)c1C
210257133	ZINC000019524577	ref	9.27	-17.18	0	394.523	3.1	0	6	5	CCn1cc(CN2CCN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC2)c(C)n1
210257137	ZINC000019524577	low	11.69	-55.59	1	394.523	3.1	1	5	5	CCn1cc(C[NH+]2CCN(C(=O)c3ccc4c(c3)ncn4C(C)C)CC2)c(C)n1
361823511	ZINC000612423655	ref	4.05	-8.99	0	318.186	2.408	2	2	6	CCC[C@@H](O)CNC(=O)Cc1ccc(Br)cc1F
342596196	ZINC000616969704	ref	3.28	-19.82	0	264.35	1.417	2	3	4	CCSc1ccccc1C(=O)N[C@@H]1CCNC1=O
398245381	ZINC000649440728	ref	8.65	-4.66	0	201.269	3.603	0	2	3	CCCc1ccc(-c2cnoc2C)cc1
398245386	ZINC000649440652	ref	0.37	-12.37	0	247.254	0.767	2	5	4	Cc1oncc1-c1cncc(C(=O)NCCO)c1
210257144	ZINC000004719910	ref	7.89	-8.85	0	330.375	4.097	1	4	6	CCCn1c(CO)cnc1SCc1ccc(C(F)(F)F)cc1
398245387	ZINC000649443706	ref	7.99	-7.0	0	232.352	3.508	0	3	3	CCSc1ccccc1-c1cnn(C)c1C
178302684	ZINC000237201585	ref	3.94	-61.18	1	352.438	1.785	2	3	4	CN1CCN(C(=O)c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)CC1
178302693	ZINC000237201585	mid	6.29	-103.09	2	352.438	1.785	3	2	4	C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc2)CC1
214186456	ZINC000278489037	ref	7.31	-16.14	0	320.339	2.41	1	3	4	Cc1ccc(C(F)(F)C(=O)NCc2ccc(C)n(C)c2=O)cc1
214186461	ZINC000278487912	ref	5.5	-20.15	0	310.394	1.116	1	4	7	C=CC(=O)NCCC(=O)N1CC[C@@](C(=O)OCC)(C(C)C)C1
349534980	ZINC000594969606	ref	7.52	-48.76	1	291.395	2.866	1	3	5	Cc1ccc(C[NH2+]C[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-]
342079406	ZINC000077846982	ref	1.52	-6.56	0	264.325	1.148	3	3	4	CC(C)[C@@](C)(O)CNC(=O)C(=O)Nc1ccccc1
185089019	ZINC000096076134	mid	10.04	-36.25	1	295.39	2.035	1	4	3	Cc1cccc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n1
282122802	ZINC000170737565	high	4.6	-13.78	0	305.426	1.279	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C)CC2
214186468	ZINC000278488420	ref	5.7	-8.54	0	302.349	3.309	1	4	5	Cc1nc(F)ccc1CNc1ccccc1O[C@@H]1CCOC1
342079407	ZINC000625303556	ref	6.19	-40.98	1	296.333	1.802	1	2	9	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](COC)C1CC1
214186476	ZINC000278487309	ref	5.69	-42.05	1	312.417	3.414	2	4	6	c1ccc(C[N@H+]2CCCC[C@H]2CNc2nnc(C3CC3)o2)cc1
214186480	ZINC000278487309	mid	6.4	-41.28	1	312.417	3.414	2	4	6	c1ccc(C[N@@H+]2CCCC[C@H]2CNc2nnc(C3CC3)o2)cc1
342079408	ZINC000625303556	high	4.87	-10.21	0	296.333	1.802	1	3	9	CCCN(CC(F)(F)F)C(=O)CN[C@H](COC)C1CC1
398245383	ZINC000651430388	ref	5.77	-31.54	1	284.403	3.388	1	2	3	Cc1ccc2[nH+]ccc(N3CCC([C@@H](C)CO)CC3)c2c1
282122814	ZINC000353191706	ref	5.68	-51.24	1	291.399	0.652	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)CC2
214186482	ZINC000278487309	high	4.35	-6.89	0	312.417	3.414	1	5	6	c1ccc(CN2CCCC[C@H]2CNc2nnc(C3CC3)o2)cc1
342079409	ZINC000608863241	ref	6.15	-11.05	0	295.387	1.247	0	7	9	CCCCn1nnnc1CN(C[C@@H](C)C(=O)OC)C1CC1
214186495	ZINC000278488600	ref	4.71	-15.91	0	313.283	2.171	2	3	2	O=C(c1cc[nH]n1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
342079410	ZINC000608863241	low	8.25	-45.54	1	295.387	1.247	1	6	9	CCCCn1nnnc1C[N@H+](C[C@@H](C)C(=O)OC)C1CC1
214186500	ZINC000278488600	mid	4.51	-15.84	0	313.283	2.171	2	3	2	O=C(c1ccn[nH]1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
214186503	ZINC000278488384	ref	3.91	-17.07	0	313.419	2.082	1	4	6	COC(C)(C)CC(=O)N[C@H](C)c1ccc(S(C)(=O)=O)cc1
214186507	ZINC000278486748	ref	5.78	-50.74	1	320.364	2.612	2	3	8	CCOc1ccc(C[NH2+][C@@H](C)C(=O)NCc2ccco2)cc1F
214186511	ZINC000278486748	mid	4.61	-13.88	0	320.364	2.612	2	4	8	CCOc1ccc(CN[C@@H](C)C(=O)NCc2ccco2)cc1F
398245385	ZINC000650858327	ref	1.78	-45.13	1	268.361	1.452	3	3	8	CC(C)C[N@H+](C)CCCNC(=O)NCc1cocn1
349534983	ZINC000594969606	mid	9.51	-39.09	1	291.395	2.866	2	3	5	Cc1ccc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-]
282122806	ZINC000449153964	high	6.45	-14.21	0	298.39	2.19	2	4	6	C[C@@H](NC1CC1)C(=O)N[C@H](C)c1ccccc1-n1cccn1
282952191	ZINC000345204597	ref	2.88	-17.8	0	317.455	1.288	2	3	6	CCC[C@@H]1C[C@H]1NC(=O)NC[C@@H]1CCCCN1S(C)(=O)=O
398245390	ZINC000650858327	mid	1.77	-45.09	1	268.361	1.452	3	3	8	CC(C)C[N@@H+](C)CCCNC(=O)NCc1cocn1
210257149	ZINC000019523391	ref	7.98	-54.79	1	376.464	2.564	2	5	5	CCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1
210257152	ZINC000004717181	ref	11.21	-14.94	0	349.455	4.735	1	3	5	O=C(CC1c2ccccc2Oc2ccccc21)NCCc1cccs1
361823519	ZINC000612425020	ref	6.69	-40.91	1	318.461	2.389	3	2	8	CC[C@H](C)[C@H](O)CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1
398245394	ZINC000650858262	ref	6.78	-15.35	0	299.325	1.726	1	4	2	C[C@H](NC(=O)N1CCCC(F)(F)C1)c1nnc2n1CCC2
349534987	ZINC000594969606	mid	7.63	-38.69	1	291.395	2.866	2	3	5	Cc1ccc(CNC[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-]
398245400	ZINC000650858406	ref	2.37	-8.82	0	271.386	1.925	2	4	5	Cc1nc([C@H](C)NC(=O)N(C)[C@H](C)CCO)cs1
137823056	ZINC000408013762	ref	-0.08	-13.64	0	281.316	0.013	2	5	3	CNC(=O)NCC(=O)N1CCC[C@@H](c2nc(C)no2)C1
342079411	ZINC000608863241	low	8.06	-48.03	1	295.387	1.247	1	6	9	CCCCn1nnnc1C[N@@H+](C[C@@H](C)C(=O)OC)C1CC1
210257153	ZINC000019523391	mid	8.54	-55.9	1	376.464	2.564	2	5	5	CCc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1
210257155	ZINC000019523391	mid	6.78	-69.11	0	376.464	2.564	1	5	5	CCc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1
210257158	ZINC000019523391	mid	7.37	-71.09	0	376.464	2.564	1	5	5	CCc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1
282122811	ZINC000449154565	ref	6.84	-42.47	1	296.455	2.428	1	2	5	COCC1CCC([NH2+][C@@H]2CCC[C@H](C(=O)N(C)C)C2)CC1
342079412	ZINC000608862855	ref	2.73	-14.07	0	279.34	1.72	0	6	7	COC(=O)[C@H](C)CN(Cc1nnc(C2CC2)o1)C1CC1
190493835	ZINC000269436143	ref	5.3	-51.31	1	295.427	1.163	3	2	8	C=CC(=O)NCCC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1
342079413	ZINC000608862855	low	4.43	-39.96	1	279.34	1.72	1	5	7	COC(=O)[C@H](C)C[N@H+](Cc1nnc(C2CC2)o1)C1CC1
282122809	ZINC000370232500	ref	3.0	-47.83	1	312.37	-0.894	2	4	4	C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CCO1
178302682	ZINC000073636011	mid	6.5	-43.52	1	242.322	3.164	1	2	1	Cc1cc2nc(C3=CC[N@@H+](C)CC3)oc2cc1C
178302686	ZINC000073636011	high	4.08	-7.92	0	242.322	3.164	0	3	1	Cc1cc2nc(C3=CCN(C)CC3)oc2cc1C
282122832	ZINC000370232500	high	0.43	-15.56	0	312.37	-0.894	1	5	4	CN(C)C[C@@H]1CN(C(=O)CN2C(=O)NC(=O)C2(C)C)CCO1
365636893	ZINC000336552853	mid	5.56	-33.45	1	252.383	2.452	1	3	2	Cc1csc(C[N@H+]2CCC[C@H]3COCC[C@H]32)n1
398245388	ZINC000424985873	ref	7.69	-9.38	0	249.329	3.176	1	1	4	CCC(C)(C)C(=O)N[C@@H]1C[C@]1(F)c1ccccc1
365636895	ZINC000336552853	high	3.45	-4.53	0	252.383	2.452	0	4	2	Cc1csc(CN2CCC[C@H]3COCC[C@H]32)n1
365636896	ZINC000336553601	ref	9.0	-41.97	1	297.402	2.136	1	3	3	Cn1cc(CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)cn1
185089021	ZINC000096076134	high	7.47	-10.25	0	295.39	2.035	0	5	3	Cc1cccc(CN2CC[C@@]3(CCN3c3ncccn3)C2)n1
365636898	ZINC000336553601	mid	9.25	-45.36	1	297.402	2.136	1	3	3	Cn1cc(CC[N@H+]2CCO[C@]3(CCc4ccccc43)C2)cn1
365636899	ZINC000336553601	mid	7.29	-8.49	0	297.402	2.136	0	4	3	Cn1cc(CCN2CCO[C@]3(CCc4ccccc43)C2)cn1
365636901	ZINC000336553154	ref	3.84	-6.54	0	259.147	2.177	1	3	2	Cc1nn(CC2(O)CCC2)c(C)c1Br
398245396	ZINC000417619871	ref	8.04	-47.14	0	225.332	2.267	1	2	5	CC1CCC(C[NH2+]CC2(C(=O)[O-])CC2)CC1
398245401	ZINC000417619751	ref	1.75	-45.22	1	243.351	0.71	3	2	6	CC[NH2+][C@H](C)CNC(=O)NC[C@@]1(C)CCOC1
365636903	ZINC000336553223	ref	4.53	-32.95	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)s1
365636905	ZINC000336553223	mid	4.27	-31.97	1	254.399	2.353	2	3	3	Cc1nc(C)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)s1
365636906	ZINC000336553223	high	2.29	-5.81	0	254.399	2.353	1	4	3	Cc1nc(C)c(CN2CCC[C@@H](C)[C@@H]2CO)s1
365636908	ZINC000336552919	ref	3.84	-5.36	0	252.383	2.243	0	4	3	CN(Cc1nc2c(s1)CCCC2)[C@@H]1CCOC1
398245405	ZINC000417619426	ref	3.77	-36.64	1	241.379	1.848	3	1	7	CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)CC1CC1
365636910	ZINC000336552919	low	6.15	-36.28	1	252.383	2.243	1	3	3	C[N@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CCOC1
398245411	ZINC000417619451	ref	3.66	-52.43	1	225.336	1.306	2	1	3	C[C@H]1[C@H]([NH3+])CCN1C(=O)N[C@H](C)CC1CC1
365636911	ZINC000336552919	low	6.36	-34.81	1	252.383	2.243	1	3	3	C[N@@H+](Cc1nc2c(s1)CCCC2)[C@@H]1CCOC1
365636913	ZINC000336552899	ref	5.97	-35.8	1	252.383	2.452	1	3	2	Cc1ncc(C[N@@H+]2CCC[C@@H]3COCC[C@H]32)s1
219047936	ZINC000097682104	ref	2.8	-16.69	0	342.399	1.849	3	3	4	COc1ccc2[nH]cc(C3=CCN(C(=O)[C@H](C)NC(N)=O)CC3)c2c1
214186459	ZINC000337626151	ref	9.56	-12.0	0	288.391	3.488	1	3	7	CCO[C@@H](CC(=O)Nc1ncccc1CC)C1=CCCC1
214186463	ZINC000337625970	ref	9.18	-8.77	0	282.815	3.423	0	2	6	CCN(CC)C(=O)CN(c1ccc(Cl)cc1)C(C)C
342596197	ZINC000616969468	ref	0.73	-16.24	0	285.303	1.268	2	4	3	Cc1oc(-c2ccccc2)nc1C(=O)N[C@H]1CCNC1=O
214186467	ZINC000337625549	ref	8.31	-10.4	0	298.342	3.197	1	4	4	Cc1ccc(CC[C@H](C)n2c(=O)[nH]c3ccccc3c2=O)o1
342596198	ZINC000616968750	ref	4.03	-16.57	0	260.337	1.241	2	2	4	Cc1ccc(CCC(=O)N[C@H]2CCNC2=O)c(C)c1
342596199	ZINC000616969111	ref	4.6	-21.08	0	290.363	1.584	2	3	6	CC[C@@H](C)c1ccccc1OCC(=O)N[C@@H]1CCNC1=O
342596200	ZINC000616968845	ref	2.48	-20.47	0	269.304	1.162	2	3	2	Cc1nc2ccccc2cc1C(=O)N[C@@H]1CCNC1=O
219047939	ZINC000097681908	ref	10.4	-11.04	0	340.43	4.343	0	4	4	c1ccc(-c2cnn3cc(CN4CC[C@@H]4c4ccccc4)cnc23)cc1
219047942	ZINC000097681908	mid	12.48	-48.96	1	340.43	4.343	1	3	4	c1ccc(-c2cnn3cc(C[N@@H+]4CC[C@@H]4c4ccccc4)cnc23)cc1
219047943	ZINC000097681908	mid	13.13	-52.44	1	340.43	4.343	1	3	4	c1ccc(-c2cnn3cc(C[N@H+]4CC[C@@H]4c4ccccc4)cnc23)cc1
342596201	ZINC000616968847	ref	4.01	-16.11	0	280.755	1.586	2	2	4	Cc1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1Cl
197593687	ZINC000162816212	ref	7.37	-7.74	0	305.765	3.768	1	5	5	COc1ccc(OC)c(Nc2cc(Cl)nc(C3CC3)n2)c1
214186470	ZINC000337625012	ref	7.57	-9.78	0	273.38	2.196	1	3	6	C[C@@H](C1CC1)N(C)C(=O)c1ccc(NCC2CC2)nc1
214186475	ZINC000337627076	ref	8.89	-14.49	0	292.342	3.082	1	4	4	CCc1cccnc1NC(=O)c1cnn(-c2ccccc2)c1
219047946	ZINC000097681934	ref	5.85	-15.43	0	338.371	1.721	1	6	6	COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1nn[nH]n1
219047949	ZINC000097681934	high	5.84	-56.54	-1	338.371	1.721	0	6	6	COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1nnn[n-]1
342596202	ZINC000616969236	ref	2.56	-17.14	0	276.267	1.499	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)oc2c(F)cccc12
210256201	ZINC000428366832	high	0.24	-44.62	-1	329.346	0.829	1	6	7	COC(=O)c1sccc1S(=O)(=O)[N-][C@H](CO)CC(F)F
290622674	ZINC000336596045	ref	3.3	-8.41	0	267.354	2.136	2	4	2	C[C@H]1CC[C@@H]1NC(=O)Nc1nc2c(s1)COCC2
210257160	ZINC000019523391	high	5.11	-53.52	-1	376.464	2.564	0	6	5	CCc1ncc(CN2CCC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cn1
210257148	ZINC000428372877	ref	3.08	-11.65	0	342.417	0.653	1	6	7	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)[C@H]1CCO[C@@H]1C
210257151	ZINC000428372877	mid	2.9	-47.92	-1	342.417	0.653	0	6	7	CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)[C@H]1CCO[C@@H]1C
210257156	ZINC000428394484	ref	0.0	-17.78	0	347.458	0.814	3	6	8	CSCC[C@@H](O)C(=O)Nc1ccc(S(=O)(=O)CCO)cc1C
210257162	ZINC000428385437	ref	1.37	-17.39	0	344.437	0.028	1	7	9	COCCOCCS(=O)(=O)NC1CCN(c2cccnn2)CC1
342079414	ZINC000608862855	low	4.36	-41.49	1	279.34	1.72	1	5	7	COC(=O)[C@H](C)C[N@@H+](Cc1nnc(C2CC2)o1)C1CC1
210257166	ZINC000428402667	ref	0.68	-17.45	0	336.36	0.964	2	4	7	CC(=O)N(C)c1ccc(S(=O)(=O)N[C@@H](CO)CC(F)F)cc1
210257170	ZINC000428396055	ref	2.53	-48.8	1	326.447	0.669	2	5	5	C[NH+](C)[C@@]1(CNS(=O)(=O)c2cccnc2C#N)CCSC1
214186466	ZINC000293598914	ref	3.43	-31.07	0	372.429	0.044	2	5	2	CC(C)C[C@@H]1C(=O)NCCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2
214186469	ZINC000293598914	mid	1.67	-48.53	-1	372.429	0.044	1	5	2	CC(C)C[C@@H]1C(=O)NCCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2
210257174	ZINC000428396055	mid	0.4	-11.68	0	326.447	0.669	1	6	5	CN(C)[C@@]1(CNS(=O)(=O)c2cccnc2C#N)CCSC1
210257177	ZINC000428396055	high	0.49	-46.38	-1	326.447	0.669	0	6	5	CN(C)[C@@]1(C[N-]S(=O)(=O)c2cccnc2C#N)CCSC1
210257182	ZINC000428373144	ref	0.28	-19.93	0	326.321	0.106	2	6	7	COC(=O)c1cc(S(=O)(=O)N[C@@H](CO)CC(F)F)cn1C
214186473	ZINC000293586994	ref	4.06	-19.9	0	374.357	0.356	1	8	5	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)C2
210257186	ZINC000428378438	ref	2.29	-18.19	0	338.389	0.471	1	6	4	CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3ccnc3C2)o1
210257189	ZINC000428378438	low	2.75	-37.68	1	338.389	0.471	1	5	4	CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)o1
210257194	ZINC000428379506	ref	3.75	-17.34	0	330.45	0.34	1	5	7	CC(C)(O)CN(C(=O)CSCC(=O)N1CCOCC1)C1CC1
342079415	ZINC000608861765	ref	7.39	-24.13	0	289.335	1.253	1	5	5	COC(=O)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2n1
210257197	ZINC000428393996	ref	-2.31	-21.75	0	343.373	0.384	2	5	7	CS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H](CO)CC(F)F)c1
349534985	ZINC000258901666	mid	8.32	-41.88	0	225.313	2.045	1	3	5	C[N@@H+](Cc1cccs1)CC1(C(=O)[O-])CC1
214186477	ZINC000293593361	ref	7.21	-22.18	0	366.462	0.966	1	6	7	CC(=O)NCCN(C(=O)Cc1cnn(C)c1C)[C@@H](C)C(=O)OC(C)(C)C
214186483	ZINC000293595432	ref	6.52	-20.34	0	374.376	0.91	1	8	8	Cn1cnn(CCC(=O)NCCCc2nc(-c3ccc(F)cc3)no2)c1=O
214186490	ZINC000293600311	ref	2.23	-13.43	0	364.398	0.834	3	6	8	COCc1cc(NC(=O)[C@@H](NC(=O)C2CC2)[C@@H](C)O)cc(C(=O)OC)c1
214186493	ZINC000293596464	ref	2.33	-31.27	0	356.444	0.536	1	6	5	Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@@H](CS(C)(=O)=O)C1
214186498	ZINC000293597280	ref	1.96	-12.49	0	364.143	0.205	1	5	2	COC(=O)N1CC(NC(=O)c2c(I)cnn2C)C1
214186502	ZINC000293597649	ref	4.32	-13.35	0	365.361	0.488	2	5	5	COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]2CF)cc1
214186505	ZINC000293588947	ref	1.95	-16.66	0	362.171	0.279	2	4	2	C[C@@H]1CCNC(=O)[C@@H]1NC(=O)c1cnn(C)c1I
398245389	ZINC000651430388	high	5.35	-7.67	0	284.403	3.388	1	3	3	Cc1ccc2nccc(N3CCC([C@@H](C)CO)CC3)c2c1
214186509	ZINC000293593647	ref	2.08	-21.66	0	362.455	0.959	1	5	5	C[C@@H](Cc1cnc2ccccc2n1)C(=O)N1CC[C@@H](NS(C)(=O)=O)C1
342079416	ZINC000608861765	low	7.67	-32.69	1	289.335	1.253	1	4	5	COC(=O)C[C@@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1
178302691	ZINC000082798615	ref	2.32	-42.72	1	251.392	1.214	1	3	9	CC[NH2+][C@@H](C)C[C@@H](C)S(=O)(=O)CCCOC
137823057	ZINC000408015851	ref	0.8	-19.73	0	287.341	0.023	1	5	4	Cc1cc(CS(=O)(=O)N[C@H]2CCC(=O)N(C)C2)no1
214186512	ZINC000293596468	ref	2.31	-29.78	0	356.444	0.536	1	6	5	Cc1cc(O)cc(=O)n1CCC(=O)N1CCC[C@H](CS(C)(=O)=O)C1
365636894	ZINC000172907981	ref	6.86	-8.28	0	273.358	1.415	1	6	7	CCCCOC(=O)[C@@H](C)Sc1n[nH]c(=O)n1CC
214186516	ZINC000293594839	ref	7.01	-19.32	0	371.441	0.084	0	7	5	Cn1cnn(CCC(=O)N2C[C@@H]3OCCN(Cc4ccccc4)[C@@H]3C2)c1=O
214186518	ZINC000293594839	low	8.82	-54.05	1	371.441	0.084	1	6	5	Cn1cnn(CCC(=O)N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c1=O
214186521	ZINC000293594839	low	9.03	-50.8	1	371.441	0.084	1	6	5	Cn1cnn(CCC(=O)N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1=O
214186524	ZINC000293599177	ref	5.5	-15.09	0	366.422	0.576	2	7	2	Cc1nc(NC(=O)C(=O)N2CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C)nn1C
342079417	ZINC000625304739	ref	8.48	-16.32	0	273.34	1.079	0	5	4	Cc1cncn1CC(=O)N1CCC[C@@H]1Cn1cccn1
178302694	ZINC000082798617	ref	2.57	-46.03	1	251.392	1.214	1	3	9	CC[NH2+][C@@H](C)C[C@H](C)S(=O)(=O)CCCOC
365636897	ZINC000172915107	ref	3.78	-9.78	0	290.363	1.792	2	4	7	O=C(CNc1ccc(O[C@H]2CCOC2)cc1)NCC1CC1
365636900	ZINC000172905233	ref	0.83	-43.81	-1	269.33	1.044	1	5	4	CCn1nc(C)c([N-]S(=O)(=O)c2cn[nH]c2)c1C
365636902	ZINC000172905233	low	0.69	-12.04	0	269.33	1.044	2	5	4	CCn1nc(C)c(NS(=O)(=O)c2cn[nH]c2)c1C
365636904	ZINC000172913386	ref	3.5	-7.74	0	262.338	1.715	2	4	5	C[C@H](CNC(=O)c1cn[nH]n1)Sc1ccccc1
230730697	ZINC000450411381	ref	4.72	-18.87	0	305.378	1.01	1	4	5	CCc1cccc(C(=O)NC[C@H]2CC[C@@H](C(=O)N(C)C)O2)n1
365636907	ZINC000172913386	mid	3.56	-9.38	0	262.338	1.715	2	4	5	C[C@H](CNC(=O)c1cnn[nH]1)Sc1ccccc1
365636909	ZINC000172913386	high	3.32	-37.83	-1	262.338	1.715	1	4	5	C[C@H](CNC(=O)c1c[n-]nn1)Sc1ccccc1
365636912	ZINC000172913386	high	3.38	-37.97	-1	262.338	1.715	1	4	5	C[C@H](CNC(=O)c1cnn[n-]1)Sc1ccccc1
365636914	ZINC000172913386	high	3.48	-38.17	-1	262.338	1.715	1	4	5	C[C@H](CNC(=O)c1cn[n-]n1)Sc1ccccc1
365636916	ZINC000172911100	ref	3.8	-19.8	0	291.351	1.753	2	3	5	CC[C@@H](C)NC(=O)c1ccc(OC)c(N2CCNC2=O)c1
365636919	ZINC000172911387	ref	4.45	-13.17	0	289.335	1.626	1	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cnn(C)c1
365636922	ZINC000643093417	ref	4.75	-10.39	0	290.363	1.921	2	3	4	C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)C[C@@H](O)C1CC1
365636925	ZINC000172908139	ref	4.45	-11.55	0	275.352	1.458	1	3	3	CC(C)NC(=O)[C@@H]1CCCN(C(=O)c2ccncc2)C1
365636927	ZINC000643093419	ref	5.11	-9.42	0	290.363	1.921	2	3	4	C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)C[C@H](O)C1CC1
365636930	ZINC000172910248	ref	3.43	-13.6	0	271.338	1.374	1	5	5	CCOC(=O)CNc1ccc(S(C)(=O)=O)cc1C
365636933	ZINC000136776795	ref	2.2	-20.67	0	281.337	1.307	2	5	5	CSCCCNC(=O)c1c(C)oc2nc[nH]c(=O)c12
365636938	ZINC000172905266	ref	4.43	-11.49	0	289.335	1.626	1	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1ccnn1C
365636941	ZINC000172910009	ref	2.45	-15.87	0	296.392	1.337	2	4	6	Cc1cc(S(C)(=O)=O)ccc1NCC(=O)NCC1CC1
365636944	ZINC000172914637	ref	7.46	-12.61	0	286.335	1.485	1	5	4	Cc1cc(C(=O)NC[C@H]2CCCO2)ccc1-n1cncn1
365636948	ZINC000225884411	ref	6.39	-68.2	0	299.415	1.517	3	3	8	CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)CC(=O)[O-]
349534989	ZINC000602430375	ref	3.84	-45.19	1	223.32	1.137	1	2	4	CCC(C#N)(CC)C(=O)N(C)[C@@H]1CC[NH2+]C1
365636952	ZINC000225884411	mid	5.83	-68.29	0	299.415	1.517	3	3	8	CC(C)C[C@H](CNC(=O)NC[C@H]1CCC[N@H+]1C)CC(=O)[O-]
210257202	ZINC000428403218	ref	-0.14	-17.3	0	336.36	0.683	2	4	7	CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](CO)CC(F)F)c1
210257210	ZINC000428397020	ref	0.89	-12.33	0	341.307	0.907	2	5	7	COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](CO)CC(F)F)c1
214186478	ZINC000337625046	ref	3.66	-12.31	0	295.298	2.196	2	4	4	O=C(CNC(=O)c1cc2ccccc2o1)Nc1cccnc1
214186481	ZINC000337625621	ref	2.98	-22.05	0	270.296	0.785	2	5	4	COc1cccc(CCN=c2ncnc3[nH][nH]cc2-3)n1
214186484	ZINC000337625621	high	2.82	-35.42	-1	270.296	0.785	1	5	4	COc1cccc(CCN=c2ncnc3[nH][n-]cc2-3)n1
214186487	ZINC000337627831	ref	8.66	-8.57	0	250.386	3.007	1	1	4	CC(C)[C@@H]1CCCN1C(=O)NCC1(C2CC2)CC1
214186491	ZINC000337628136	ref	3.72	-9.73	0	298.35	0.642	2	5	4	O=C(c1ccc(NCC2CC2)nc1)N1CCc2n[nH]nc2C1
210257217	ZINC000428397020	high	0.57	-38.04	-1	341.307	0.907	1	5	7	COC(=O)c1cc(F)cc(S(=O)(=O)[N-][C@@H](CO)CC(F)F)c1
214186494	ZINC000337628136	mid	3.75	-12.18	0	298.35	0.642	2	5	4	O=C(c1ccc(NCC2CC2)nc1)N1CCc2[nH]nnc2C1
306234687	ZINC000557902271	mid	4.05	-51.55	1	345.509	1.088	3	3	6	CC(C)C[N@H+]1CC[C@H](CNC(=O)NC[C@H]2CCCS(=O)(=O)C2)C1
210257225	ZINC000428380769	ref	3.13	-13.62	0	338.389	0.268	1	7	7	CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)c1ccnn1C
210257233	ZINC000428393461	ref	3.22	-19.88	0	336.417	0.973	0	5	3	CC(C)N1C(=O)CN(S(=O)(=O)c2cccnc2C#N)CC1(C)C
210257238	ZINC000428384296	ref	1.96	-24.24	0	329.374	0.653	2	6	7	CCOC(=O)CC(=O)Nc1ccc(S(=O)(=O)CCO)cc1C
214186497	ZINC000337628016	ref	4.28	-9.74	0	251.378	2.266	0	5	4	CCC1(C)CCN(Cc2nnnn2C(C)C)CC1
214186499	ZINC000337628016	mid	6.68	-48.15	1	251.378	2.266	1	4	4	CCC1(C)CC[NH+](Cc2nnnn2C(C)C)CC1
178302695	ZINC000237214194	ref	8.36	-49.66	1	359.47	1.514	1	3	6	C[NH2+]C[C@H]1CCCN1C(=O)C1CCN(C(=O)COc2ccccc2)CC1
210257244	ZINC000428392607	ref	1.5	-13.12	0	341.307	0.907	2	5	7	COC(=O)c1ccc(F)cc1S(=O)(=O)N[C@H](CO)CC(F)F
210257157	ZINC000265969483	ref	5.68	-22.71	0	363.443	0.817	0	6	4	Cc1c(S(=O)(=O)N2CCC[C@H]2C(=O)N(C)C)cnn1-c1ccccn1
210257161	ZINC000265968037	ref	4.26	-18.27	0	351.403	0.739	1	5	6	COc1ccc(CCNC(=O)N2CCN(C)C(=O)C2)c(OC)c1OC
214186504	ZINC000337624553	ref	5.3	-8.12	0	285.428	2.306	1	3	9	CC(C)[C@H](CC1CCCC1)C(=O)N(C)CCOCCO
210257164	ZINC000265964513	ref	0.56	-21.53	0	355.46	0.756	3	4	7	CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C(N)=O)C(C)(C)C)cc1
219047940	ZINC000350686291	low	7.43	-31.69	1	260.312	3.353	1	2	3	CO[C@H]1CC[C@H](Nc2[nH+]ccc3ccc(F)cc23)C1
398245392	ZINC000649440690	ref	8.69	-41.62	1	227.311	2.248	1	2	4	C[NH+](C)CCc1ccc(-c2cncnc2)cc1
219047945	ZINC000350693896	ref	6.39	-15.9	0	283.372	3.207	2	3	5	CSc1ccc(NC(=O)NCCC2(F)CCC2)nc1
282122816	ZINC000248972104	ref	0.66	-40.93	1	317.813	1.143	4	4	9	C[C@H](O)C[N@H+](C[C@@H](O)COc1ccccc1Cl)[C@H](C)CO
342079418	ZINC000625304739	mid	9.0	-38.15	1	273.34	1.079	0	4	4	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1Cn1cccn1
342079419	ZINC000625303726	ref	2.34	-11.77	0	276.296	1.184	0	6	4	COc1nc(C(=O)N2CCC[C@H]2Cn2cccn2)co1
219047952	ZINC000350686290	ref	7.09	-5.61	0	260.312	3.353	1	3	3	CO[C@@H]1CC[C@H](Nc2nccc3ccc(F)cc23)C1
219047955	ZINC000350686290	low	7.44	-32.35	1	260.312	3.353	1	2	3	CO[C@@H]1CC[C@H](Nc2[nH+]ccc3ccc(F)cc23)C1
219047958	ZINC000350694782	ref	6.43	-11.39	0	278.337	3.08	0	6	2	Cc1nnc(Sc2ncnc3cccc(F)c23)s1
299072234	ZINC000358087430	ref	1.48	-18.05	0	318.308	1.406	3	4	6	NC(=O)COc1ccc(NC(=O)NCc2ccc(F)cn2)cc1
178302701	ZINC000082799055	ref	3.59	-45.01	1	253.433	1.541	1	3	8	CC[NH2+][C@H](C)C[C@H](C)SCCS(C)(=O)=O
299072240	ZINC000358087184	ref	8.65	-59.39	1	319.796	1.802	1	4	4	C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
299072245	ZINC000358087184	mid	7.74	-13.31	0	319.796	1.802	1	5	4	C[C@H](N[C@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
219047968	ZINC000350682476	ref	3.18	-9.41	0	273.336	2.474	1	4	5	Cc1oc(C(C)C)nc1C(=O)NCCc1ccncc1
219047970	ZINC000350683201	ref	7.82	-12.97	0	295.342	3.224	1	4	4	CCOc1ccc(NC(=O)c2cccc3ncn(C)c23)cc1
219047974	ZINC000350685590	ref	3.67	-16.17	0	284.294	2.069	2	3	4	O=C(NCCc1ccc[nH]1)c1cc2nccnc2cc1F
214186479	ZINC000053503190	ref	6.78	-16.83	0	345.443	1.77	1	3	7	CCCCN(CC(N)=O)C(=O)[C@H]1CCN(c2cc(C)cc(C)c2)C1=O
214186485	ZINC000053516518	ref	8.4	-16.97	0	331.395	2.516	0	5	4	C[C@@H]1CCCC[C@@H]1N(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1
342079420	ZINC000608861235	ref	4.72	-12.24	0	257.33	1.071	0	4	4	COC(=O)[C@@H](C)CN(C)C(=O)C1(C)CCOCC1
214186488	ZINC000053495260	ref	1.53	-17.13	0	328.294	1.426	4	2	5	NC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(F)(F)F
398245397	ZINC000649440599	ref	4.17	-8.58	0	244.294	2.077	1	4	5	COc1cc(-c2cncnc2)ccc1CCCO
398245402	ZINC000649443623	ref	4.36	-9.62	0	216.284	2.196	1	3	2	Cc1ccc(-c2cnn(C)c2C)cc1CO
214186489	ZINC000053496085	ref	6.01	-36.94	1	347.322	3.1	1	3	7	C[C@@H](C[NH2+]C[C@H]1CCCO1)N(C)Cc1cc(Br)cs1
185089023	ZINC000096078529	ref	5.03	-41.67	1	294.395	1.449	1	4	4	C[NH+](C)C[C@@H]1CO[C@]2(COCCN(Cc3ccoc3)C2)C1
214186492	ZINC000053512612	ref	6.11	-14.5	0	338.411	1.83	1	4	5	O=C(NC1CCN(C(=O)CCc2ccccc2)CC1)c1cnccn1
214186496	ZINC000053494334	ref	5.44	-20.52	0	329.404	1.333	2	4	5	NC(=O)C1CCN(C(=O)NCCCn2cnc3ccccc32)CC1
214186501	ZINC000053506414	ref	4.72	-10.31	0	345.365	2.179	1	3	5	COCCNC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
214186506	ZINC000053503356	ref	4.7	-20.26	0	332.425	3.079	1	4	6	CCN(C(=O)c1cc(C(N)=O)cs1)[C@H](C)c1cccc(OC)c1
398245395	ZINC000651429558	ref	7.94	-8.03	0	252.402	3.253	1	1	2	C[C@@H](NC(=O)N1CC[C@@H](C2CCC2)C1)C(C)(C)C
214186510	ZINC000053494090	ref	4.39	-18.43	0	349.435	0.823	1	5	6	Cc1cc(CN2CCN(C(=O)NCCCN3CCCC3=O)CC2)no1
214186517	ZINC000053517474	ref	3.51	-14.65	0	344.437	0.963	1	5	4	Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC(C)C)CC1
214186522	ZINC000053503245	ref	4.26	-17.93	0	340.474	2.151	1	6	7	CCCCN(CC(N)=O)C(=O)c1cc2sc(N(C)C)nc2s1
214186527	ZINC000053502995	ref	6.27	-15.61	0	345.487	2.114	2	3	8	CC(C)NC(=O)CN1CCC(NC(=O)CCCc2ccccc2)CC1
214186531	ZINC000053502995	mid	8.44	-47.33	1	345.487	2.114	3	2	8	CC(C)NC(=O)C[NH+]1CCC(NC(=O)CCCc2ccccc2)CC1
214186535	ZINC000053505736	ref	5.09	-16.49	0	335.433	0.992	1	6	3	CC(C)NC(=O)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1
214186541	ZINC000053506885	ref	5.2	-12.08	0	346.431	0.608	2	3	4	CC(C)NC(=O)C(=O)N1CCN(C(=O)NCCc2ccccc2)CC1
214186547	ZINC000053511245	ref	6.26	-13.57	0	333.457	3.222	1	4	5	COCCCNC(=O)N1CCC(c2nc3ccccc3s2)CC1
214186553	ZINC000053497408	ref	4.22	-3.43	0	345.228	3.483	1	3	6	C[C@H](CNCC(F)(F)F)N(C)Cc1csc(Br)c1
214186558	ZINC000053497408	mid	6.71	-39.27	1	345.228	3.483	2	2	6	C[C@H](CNCC(F)(F)F)[N@H+](C)Cc1csc(Br)c1
214186562	ZINC000053497408	mid	6.67	-38.12	1	345.228	3.483	2	2	6	C[C@H](CNCC(F)(F)F)[N@@H+](C)Cc1csc(Br)c1
214186564	ZINC000053508141	ref	4.04	-21.24	0	346.836	1.547	1	4	5	CN(CCOc1ccccc1Cl)C(=O)N[C@@H]1CCS(=O)(=O)C1
214186569	ZINC000053516519	ref	8.88	-17.12	0	331.395	2.516	0	5	4	C[C@H]1CCCC[C@@H]1N(C)C(=O)Cn1nnc(-c2cccc(F)c2)n1
398245399	ZINC000651428813	ref	6.88	-8.22	0	296.455	3.146	2	2	2	C[C@@H](NC(=O)N1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O)C(C)(C)C
210257168	ZINC000265967057	ref	3.39	-30.42	0	352.412	0.347	0	6	6	COC[C@@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1
210257171	ZINC000265963996	ref	2.85	-17.64	0	352.41	0.988	3	4	7	CC(=O)NCCCNC(=O)NCc1cc(F)ccc1N1CCOCC1
210257176	ZINC000265968900	ref	3.59	-47.86	1	367.471	0.9	2	4	5	COc1ccc(S(N)(=O)=O)cc1C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1
210257180	ZINC000265969580	ref	0.26	-20.99	0	372.175	0.463	3	6	5	Cc1ccc([C@H](O)CNC(=O)Cn2cc(Br)c(=O)[nH]c2=O)o1
210257184	ZINC000265969580	high	-1.58	-56.54	-1	372.175	0.463	2	6	5	Cc1ccc([C@H](O)CNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)o1
210257188	ZINC000265963023	ref	4.13	-15.88	0	369.487	0.514	0	7	9	COCCN(CC(=O)OC)CC(=O)N1CCN(Cc2cccs2)CC1
210257191	ZINC000265963023	low	5.76	-45.1	1	369.487	0.514	1	6	9	COCCN(CC(=O)OC)CC(=O)N1CC[NH+](Cc2cccs2)CC1
210257195	ZINC000265963901	ref	4.58	-13.71	0	352.753	0.894	2	7	4	Cn1c(NC[C@H](O)c2c(F)cccc2Cl)c(C#N)c(=O)n(C)c1=O
210257198	ZINC000265967058	ref	3.39	-30.44	0	352.412	0.347	0	6	6	COC[C@H]1CN(C(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCO1
210257204	ZINC000265964803	ref	2.25	-22.82	0	355.46	0.784	2	4	8	COC[C@@H]1CCN(C(=O)NCCS(=O)(=O)NCc2ccccc2)C1
210257209	ZINC000265963151	ref	-0.96	-31.65	0	362.43	0.964	5	4	7	NC(=O)CCNC(=O)c1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)c1
210257214	ZINC000265962323	ref	-2.35	-17.9	0	353.4	0.768	4	5	6	Cc1ccc([C@@H](O)CNC(=O)NCc2ccc(S(N)(=O)=O)cc2)o1
210257221	ZINC000265968833	ref	0.67	-19.41	0	367.471	0.901	3	4	8	CCS(=O)(=O)NCc1ccc(C(=O)NCC2(C(N)=O)CCCC2)cc1
282122817	ZINC000114261380	ref	6.96	-44.21	1	305.426	1.282	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)CC2
212167228	ZINC000335490482	ref	2.07	-14.72	0	283.372	0.41	2	3	1	CN1C[C@@H](NC(=O)N2CC[C@H](O)CC(C)(C)C2)CC1=O
212167233	ZINC000335490604	ref	9.01	-11.3	0	285.387	3.15	0	2	2	CC1(C)[C@H](c2ccccc2)CCN1C(=O)[C@H]1CCC(=O)C1
212167241	ZINC000335489915	ref	9.01	-10.99	0	261.369	2.092	0	3	2	CN(C(=O)[C@H]1CCc2cncn2C1)C1CC(C)(C)C1
212167243	ZINC000335489915	low	9.52	-40.54	1	261.369	2.092	0	2	2	CN(C(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC(C)(C)C1
212167246	ZINC000335490179	ref	7.3	-9.04	0	286.375	3.116	1	2	3	Cc1ccc2cc(C(=O)N3CC[C@@H](OC(C)C)C3)[nH]c2c1
212167250	ZINC000335490308	ref	8.09	-11.15	0	295.386	3.307	1	2	3	O=C(c1[nH]ccc1C1CC1)N1CCC[C@H](c2ccncc2)C1
282122819	ZINC000449153383	ref	6.18	-44.4	1	282.428	2.312	1	2	5	CCC1(CC)CCN(C(=O)COC2CCC([NH3+])CC2)C1
214186513	ZINC000337625139	ref	2.56	-9.18	0	259.302	-0.203	1	5	8	CCOC(=O)C1(C(=O)N(C)CCOCCO)CC1
210257227	ZINC000265963657	ref	1.9	-51.76	1	369.487	0.606	4	4	7	C[NH+]1CCC(O)(CNC(=O)NCCCS(=O)(=O)c2ccccc2)CC1
210257230	ZINC000265963657	high	-0.47	-18.03	0	369.487	0.606	3	5	7	CN1CCC(O)(CNC(=O)NCCCS(=O)(=O)c2ccccc2)CC1
210257237	ZINC000265965338	ref	2.22	-15.93	0	351.432	0.865	1	6	5	Cc1c(C(=O)N[C@H](C)c2cccc(S(=O)(=O)N(C)C)c2)nnn1C
210257163	ZINC000019522524	ref	4.87	-20.79	0	396.513	1.058	1	5	5	CCc1cc(=O)[nH]c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)CC)CC2)n1
210257167	ZINC000019522524	high	3.53	-58.88	-1	396.513	1.058	0	5	5	CCc1cc(=O)[n-]c([C@@H]2CCCN2C(=O)C2CCN(S(=O)(=O)CC)CC2)n1
214186515	ZINC000337626064	ref	5.08	-12.33	0	287.31	2.319	2	3	5	Cc1noc(C)c1C[C@H](C)NC(=O)NC1(C(F)F)CC1
398245403	ZINC000650858486	ref	0.96	-10.95	0	253.302	1.383	1	4	3	CC[C@@H]1CN(C(=O)NCc2cocn2)[C@H](C)CO1
342079421	ZINC000032059802	ref	3.36	-16.84	0	285.347	1.02	1	4	5	N#Cc1ccccc1/C=C/C(=O)NCCN1CCOCC1
214186519	ZINC000337626858	ref	7.27	-12.43	0	290.363	3.092	2	3	3	COC(=O)c1cc(NC(=O)N[C@H]2CCC[C@H]2C)ccc1C
197593681	ZINC000290096249	ref	5.77	-11.15	0	293.411	2.485	1	4	9	CCn1nccc1/C=C/C(=O)NCCCC(C)(C)COC
282122825	ZINC000449153369	ref	8.03	-37.63	1	272.392	2.317	1	1	4	C[C@@H]([NH2+]C1CC1)C(=O)N1CC[C@](C)(c2ccccc2)C1
210257169	ZINC000019524537	ref	12.28	-48.52	1	384.528	2.665	2	5	5	CCn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1
210257173	ZINC000019524537	mid	11.85	-47.52	1	384.528	2.665	2	5	5	CCn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1
282122827	ZINC000449153369	high	6.98	-9.64	0	272.392	2.317	1	2	4	C[C@@H](NC1CC1)C(=O)N1CC[C@](C)(c2ccccc2)C1
210257175	ZINC000019524537	high	9.09	-50.04	-1	384.528	2.665	0	6	5	CCn1cc(CN2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1
210257178	ZINC000019524537	high	11.48	-61.44	0	384.528	2.665	1	5	5	CCn1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1
282122830	ZINC000449154260	ref	3.23	-40.11	1	289.297	2.078	2	2	6	COC[C@H](CCO)[NH2+][C@@H]1CCc2cc(F)c(F)c(F)c21
214186532	ZINC000337626479	ref	7.86	-11.35	0	298.39	3.422	1	4	4	CC1CCC(CC(=O)Nc2cnccc2-n2cccn2)CC1
178302703	ZINC000237203192	ref	3.7	-47.44	1	355.442	1.424	3	3	5	CN(C(=O)CCNC(=O)c1[nH]nc2ccccc12)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302706	ZINC000237203192	mid	3.66	-44.54	1	355.442	1.424	3	3	5	CN(C(=O)CCNC(=O)c1n[nH]c2ccccc12)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302708	ZINC000237201763	ref	3.8	-48.67	1	354.472	1.178	1	4	7	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)CCOC)cc2)C1
365636915	ZINC000336552899	mid	5.63	-35.34	1	252.383	2.452	1	3	2	Cc1ncc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)s1
365636917	ZINC000336552899	high	3.63	-4.34	0	252.383	2.452	0	4	2	Cc1ncc(CN2CCC[C@@H]3COCC[C@H]32)s1
365636918	ZINC000336552898	ref	5.51	-34.63	1	252.383	2.452	1	3	2	Cc1ncc(C[N@@H+]2CCC[C@H]3COCC[C@@H]32)s1
178302711	ZINC000237210052	ref	4.71	-46.32	1	360.483	1.682	1	5	6	C[NH2+]CC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1
178302713	ZINC000237210052	high	3.27	-12.65	0	360.483	1.682	1	6	6	CNCC(=O)N1CCN(Cc2csc(-c3ccc(OC)cc3)n2)CC1
178302716	ZINC000237208168	ref	5.35	-39.95	1	368.437	1.813	2	4	5	CN(C(=O)CNC(=O)c1cc(-c2ccccc2)on1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302720	ZINC000237212669	ref	4.84	-47.83	1	354.472	1.968	2	4	6	COC(=O)c1ccc(C)c(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1
178302723	ZINC000237211836	ref	4.86	-50.92	1	360.332	1.915	2	4	6	COC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1
178302728	ZINC000237208199	ref	2.34	-61.45	1	364.471	1.614	3	4	7	CCn1c(C)cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)c1C
178302731	ZINC000237218371	ref	3.95	-57.76	1	352.482	1.864	3	2	6	C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]([NH3+])c3ccccc3)c2)CC1
178302734	ZINC000237218371	mid	3.5	-9.71	0	352.482	1.864	2	3	6	CN1CCN(Cc2cccc(C(=O)NC[C@@H]([NH3+])c3ccccc3)c2)CC1
178302736	ZINC000237218371	high	3.5	-9.71	0	352.482	1.864	2	4	6	CN1CCN(Cc2cccc(C(=O)NC[C@@H](N)c3ccccc3)c2)CC1
365636920	ZINC000336552898	mid	6.05	-36.01	1	252.383	2.452	1	3	2	Cc1ncc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)s1
365636921	ZINC000336552898	high	3.88	-4.88	0	252.383	2.452	0	4	2	Cc1ncc(CN2CCC[C@H]3COCC[C@@H]32)s1
365636924	ZINC000336553931	ref	4.28	-35.21	1	250.342	2.292	1	3	2	Cc1nc(C[N@@H+]2CCC[C@@H]3COCC[C@@H]32)oc1C
178302738	ZINC000237212565	ref	3.75	-17.84	0	363.805	1.153	1	6	3	COc1cc(N)c(Cl)cc1C(=O)N1CCN(c2cnn(C)c2)C(=O)C1
365636926	ZINC000336553931	mid	4.4	-34.28	1	250.342	2.292	1	3	2	Cc1nc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)oc1C
210257181	ZINC000019524537	high	11.01	-59.72	0	384.528	2.665	1	5	5	CCn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c(C)n1
214186514	ZINC000278487466	ref	8.91	-45.48	1	309.45	3.467	2	2	5	O[C@H](C[C@@H]1CCC[N@@H+]1C[C@@H]1CCSC1)c1ccc(F)cc1
214186520	ZINC000278487466	mid	9.06	-45.56	1	309.45	3.467	2	2	5	O[C@H](C[C@@H]1CCC[N@H+]1C[C@@H]1CCSC1)c1ccc(F)cc1
210257183	ZINC000019526419	ref	10.75	-50.29	1	384.484	2.199	3	6	8	CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1[C@H](C)c1ccccc1
342079422	ZINC000032059802	low	5.77	-52.06	1	285.347	1.02	2	3	5	N#Cc1ccccc1/C=C/C(=O)NCC[NH+]1CCOCC1
342079423	ZINC000600311935	ref	7.22	-40.51	1	263.385	1.918	2	2	3	C[N@@H+]1CCCC[C@@H](CNC(=O)C2(C#N)CCCC2)C1
342079424	ZINC000600311935	mid	7.06	-39.92	1	263.385	1.918	2	2	3	C[N@H+]1CCCC[C@@H](CNC(=O)C2(C#N)CCCC2)C1
210257187	ZINC000019525151	ref	9.27	-14.05	0	390.491	3.739	0	6	4	CCn1ccc(C(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)n1
210257190	ZINC000019524411	ref	7.62	-13.9	0	385.512	1.721	1	6	6	CCn1c(N2CCC[C@H](C(=O)NCCN3CCOCC3)C2)nc2ccccc21
210257193	ZINC000019524411	low	10.03	-49.01	1	385.512	1.721	2	5	6	CCn1c(N2CCC[C@H](C(=O)NCC[NH+]3CCOCC3)C2)nc2ccccc21
342079425	ZINC000077858095	ref	1.83	-9.95	0	299.33	1.475	3	4	5	O=C(NCCCc1ccc(O)cc1)C(=O)Nc1cccnc1
197593697	ZINC000290096166	ref	4.37	-8.51	0	281.421	2.738	2	3	5	C[C@@H](CO)NC(=O)C1(Cc2cccs2)CCCCC1
342079426	ZINC000625304927	ref	5.08	-35.36	1	285.428	1.911	2	3	4	CC(C)(C)[C@@H]1CC[N@H+](CCOC2CCOCC2)C[C@@H]1O
342079427	ZINC000625304927	mid	5.14	-36.75	1	285.428	1.911	2	3	4	CC(C)(C)[C@@H]1CC[N@@H+](CCOC2CCOCC2)C[C@@H]1O
342079428	ZINC000625304927	high	2.8	-4.32	0	285.428	1.911	1	4	4	CC(C)(C)[C@@H]1CCN(CCOC2CCOCC2)C[C@@H]1O
342079429	ZINC000625303917	ref	7.76	-45.7	1	286.379	1.301	0	5	5	Cn1cc(CCN2CCO[C@@H](Cc3ccccc3)C2)nn1
342079430	ZINC000625303917	mid	7.33	-48.52	1	286.379	1.301	1	4	5	Cn1cc(CC[N@@H+]2CCO[C@@H](Cc3ccccc3)C2)nn1
342079431	ZINC000625303917	mid	7.76	-45.7	1	286.379	1.301	1	4	5	Cn1cc(CC[N@H+]2CCO[C@@H](Cc3ccccc3)C2)nn1
342079432	ZINC000625303928	ref	1.95	-14.95	0	275.283	1.712	0	4	3	CN1CN(Cc2coc(-c3ccccc3F)n2)CC1=O
342079433	ZINC000625304916	ref	2.72	-40.79	1	271.401	1.447	3	3	7	CC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCOCC1
365636923	ZINC000123301807	ref	8.07	-8.98	0	290.319	2.442	0	4	2	C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)[C@@]1(C)CCCO1
365636931	ZINC000123383237	ref	3.18	-15.88	0	287.319	2.451	1	5	2	Cc1ccc(O)c(C(=O)N2CCCC[C@@H]2c2ncon2)c1
365636937	ZINC000123383237	high	4.15	-64.21	-1	287.319	2.451	0	5	2	Cc1ccc([O-])c(C(=O)N2CCCC[C@@H]2c2ncon2)c1
365636943	ZINC000123396337	ref	5.16	-41.53	1	252.402	2.043	1	2	6	C[C@H](CCN1CCOCC1)[NH2+]C[C@@H]1CC=CCC1
365636949	ZINC000123396337	low	7.58	-113.84	2	252.402	2.043	2	1	6	C[C@H](CC[NH+]1CCOCC1)[NH2+]C[C@@H]1CC=CCC1
365636951	ZINC000123346106	ref	5.89	-11.62	0	254.374	2.384	1	2	4	CCO[C@H]1C[C@H](N(C)C(=O)NC(C)C)C12CCC2
365636954	ZINC000123401440	ref	3.83	-13.11	0	253.305	2.268	1	3	1	Cc1ccc([C@H]2NC(=O)c3ccccc3N2C)nc1
230730736	ZINC000425460259	ref	5.28	-9.4	0	310.438	2.165	2	3	9	O=C(NCCCOC[C@@H]1CCOC1)NC[C@@H]1C[C@H]1C1CCC1
365636956	ZINC000123414377	ref	3.53	-9.97	0	279.384	2.016	2	4	5	C[C@@H](CCO)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
365636959	ZINC000123374113	ref	5.78	-10.8	0	291.395	2.176	0	4	3	CC(C)N(C)C(=O)c1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1
365636963	ZINC000123286488	ref	7.87	-8.25	0	261.321	2.227	0	3	3	COC(=O)CCC(=O)N1CCCc2cccc(C)c21
365636966	ZINC000123303808	ref	5.33	-40.69	1	291.439	2.124	1	3	6	C[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)N1CCOCC1
342596203	ZINC000616968851	ref	3.66	-21.82	0	286.331	1.597	2	3	3	Cc1cc2occ(CC(=O)N[C@@H]3CCNC3=O)c2cc1C
342596204	ZINC000616969549	ref	3.86	-19.06	0	278.739	1.448	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl
342596205	ZINC000367700851	ref	3.41	-13.87	0	278.312	1.285	0	6	4	CO/N=C/C(=O)N1CCC(c2noc(C3CC3)n2)CC1
342596206	ZINC000003249600	ref	3.34	-154.5	-2	254.182	1.07	1	5	2	Cc1cc2ccccn2c1C(=O)NP(=O)([O-])[O-]
365636971	ZINC000123377977	ref	5.68	-6.71	0	257.374	2.075	0	3	7	CCC1(CC)[C@@H](N(C)C(=O)CCOC)C[C@H]1OC
342596207	ZINC000616969788	ref	4.0	-25.05	0	271.32	1.279	2	3	3	CCn1cc(C(=O)N[C@H]2CCNC2=O)c2ccccc21
342596208	ZINC000616968846	ref	2.48	-20.82	0	269.304	1.162	2	3	2	Cc1nc2ccccc2cc1C(=O)N[C@H]1CCNC1=O
342596209	ZINC000616969025	ref	4.31	-15.69	0	266.385	1.988	2	2	5	CCCCC1CCC(C(=O)N[C@H]2CCNC2=O)CC1
342596210	ZINC000616969505	ref	3.8	-14.81	0	278.739	1.448	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl
342596211	ZINC000616969186	ref	2.54	-21.32	0	287.294	1.301	2	3	2	Cc1nc2cc(F)ccc2cc1C(=O)N[C@H]1CCNC1=O
210257196	ZINC000019524579	ref	1.75	-20.5	0	397.545	-0.025	0	7	6	CCn1cc(CN2CCN(CC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)CC2)c(C)n1
210257201	ZINC000019525329	ref	7.2	-19.65	0	399.451	1.592	1	6	4	CCCc1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C(C)=O)C3)no1
210257205	ZINC000019525329	high	5.58	-54.68	-1	399.451	1.592	0	6	4	CCCc1cc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[n-]2)CCN(C(C)=O)C3)no1
178302707	ZINC000082802962	ref	5.94	-48.77	1	296.37	2.198	2	2	4	COc1ccc(CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1
214186525	ZINC000278488309	ref	4.88	-12.61	0	321.358	1.429	1	7	5	COC(=O)c1cnccc1NC(=O)CCn1c(C)csc1=O
214186530	ZINC000278487944	ref	7.29	-10.94	0	313.85	3.114	1	3	5	C[C@@H]1COCC[C@H]1NC(=O)CSCc1cccc(Cl)c1
210257207	ZINC000019524119	ref	8.73	-11.62	0	394.519	3.184	1	6	6	CCn1c(C)cc(C(=O)CN2CCC(O)(Cn3ncc4ccccc43)CC2)c1C
210257211	ZINC000019524119	low	10.85	-37.17	1	394.519	3.184	2	5	6	CCn1c(C)cc(C(=O)C[NH+]2CCC(O)(Cn3ncc4ccccc43)CC2)c1C
210257215	ZINC000019522729	ref	6.44	-15.0	0	390.39	4.039	0	6	4	CCc1cc(C(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)on1
214186534	ZINC000278488255	ref	2.2	-15.32	0	310.35	1.678	3	5	6	CC(C)(O)CONC(=O)Nc1ccccc1O[C@H]1CCOC1
214186537	ZINC000278488255	high	0.45	-53.25	-1	310.35	1.678	2	6	6	CC(C)(O)CON=C([O-])Nc1ccccc1O[C@H]1CCOC1
214186539	ZINC000278488255	high	1.16	-51.36	-1	310.35	1.678	2	5	6	CC(C)(O)CO[N-]C(=O)Nc1ccccc1O[C@H]1CCOC1
210256804	ZINC000004712572	ref	8.05	-13.18	0	329.444	2.874	1	3	7	Cc1ccc(C2=NN(CCC(=O)NCCC(C)C)C(=O)CC2)cc1
210256810	ZINC000004713161	ref	10.02	-7.1	0	340.789	4.772	0	4	4	CC(N=Nc1cc(Cl)nc(-c2ccccc2)n1)c1ccc(F)cc1
210256816	ZINC000004711964	ref	11.47	-12.87	0	332.447	4.757	1	2	4	O=C(Cn1c(-c2ccccc2)cc2ccccc21)NC1CCCCC1
214186543	ZINC000278488793	ref	5.51	-20.71	0	305.3	2.169	1	3	3	CO[C@H](C)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
210256822	ZINC000004714059	ref	7.74	-10.75	0	332.153	3.695	0	4	2	Cc1cccc(C2=N/C(=C\c3ccc(Br)o3)C(=O)O2)c1
178302709	ZINC000082802962	high	4.4	-9.13	0	296.37	2.198	2	3	4	COc1ccc(CNC(=O)[C@H]2CNCc3ccccc32)cc1
214186546	ZINC000278488793	mid	5.42	-15.63	0	305.3	2.169	1	3	3	CO[C@H](C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
365636928	ZINC000336553931	mid	1.98	-6.49	0	250.342	2.292	0	4	2	Cc1nc(CN2CCC[C@@H]3COCC[C@@H]32)oc1C
365636929	ZINC000336552879	ref	7.55	-40.2	1	290.411	2.037	1	3	2	Cn1cc(N2CCC[C@@H]([NH+]3CCC(C)(C)CC3)C2=O)cn1
343994015	ZINC000599283967	ref	6.26	-36.0	1	299.418	1.898	2	3	3	Cc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1C#N
343994017	ZINC000599283967	high	4.22	-6.64	0	299.418	1.898	1	4	3	Cc1ccc(CN2CCN([C@H]3CCC[C@H]3O)CC2)cc1C#N
343994019	ZINC000599268175	ref	6.06	-43.09	1	282.428	1.894	1	3	4	CC(C)C[C@H](C(=O)OC(C)(C)C)N1C[C@@H]2C[NH2+]C[C@H]2C1
178305412	ZINC000032603912	ref	9.59	-11.32	0	249.317	3.535	0	3	2	Cc1cc2ncn(/N=C\c3ccccc3)c2cc1C
343994020	ZINC000599268175	low	8.02	-101.95	2	282.428	1.894	2	2	4	CC(C)C[C@H](C(=O)OC(C)(C)C)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1
343994022	ZINC000599270325	ref	6.95	-8.97	0	289.397	1.31	0	6	7	CCOC(=O)[C@@H]1CSCCN1CCCCC(=O)OC
323004607	ZINC000561614880	mid	2.69	-44.04	1	241.335	0.051	2	2	4	CC[C@H]1C[N@@H+](C)CCN1C(=O)[C@H](C)CC(N)=O
212168182	ZINC000335491633	ref	4.86	-5.3	0	282.702	2.086	2	2	2	O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@@H]1CC12CC2
133428468	ZINC000306480537	ref	2.66	-7.07	0	182.267	1.255	0	3	2	CC(C)[C@@H]1CN([C@@H](C)C#N)CCO1
212168187	ZINC000335490688	ref	9.16	-41.87	1	298.43	3.128	2	1	3	C[N@@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1c1ccccc1
212168191	ZINC000335490688	mid	9.87	-41.8	1	298.43	3.128	2	1	3	C[N@H+]1CC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1c1ccccc1
212168193	ZINC000335490688	high	7.95	-7.59	0	298.43	3.128	1	2	3	CN1CC[C@@H](NC(=O)C2CC3(CCC3)C2)[C@@H]1c1ccccc1
212168200	ZINC000335490913	ref	8.2	-10.25	0	261.369	2.093	0	3	1	C[C@H]1CC(C)(C)CN1C(=O)[C@H]1CCc2cncn2C1
212168201	ZINC000335490913	low	8.71	-39.58	1	261.369	2.093	0	2	1	C[C@H]1CC(C)(C)CN1C(=O)[C@H]1CCc2c[nH+]cn2C1
212168206	ZINC000335491955	ref	6.85	-9.17	0	281.302	2.145	0	2	2	O=C(Cc1cc(F)ccc1F)N1CC[C@@H]2OCC[C@@H]2C1
212168236	ZINC000335490843	ref	4.57	-7.68	0	270.288	2.04	2	3	2	O=C(Nc1ccc2ccoc2c1)C(=O)N[C@@H]1CC12CC2
212168249	ZINC000335491752	ref	5.91	-9.85	0	281.396	2.221	0	3	3	CO[C@@H]1CCC[C@H](CC(=O)N2CC3(CCCOC3)C2)C1
212168252	ZINC000335491676	ref	5.55	-4.17	0	296.729	2.395	2	2	2	Cc1cc(NC(=O)C(=O)N[C@H]2CC23CC3)c(Cl)cc1F
212168256	ZINC000335491648	ref	8.04	-11.21	0	256.349	2.348	1	1	2	O=C(NC1Cc2ccccc2C1)N1CC[C@@H]1C1CC1
212168259	ZINC000335491474	ref	3.33	-10.13	0	255.314	2.155	2	3	2	C[C@@H]1C[C@@H](NC(=O)c2c(O)cccc2F)CS1
365636932	ZINC000336552879	mid	5.51	-13.83	0	290.411	2.037	0	4	2	Cn1cc(N2CCC[C@@H](N3CCC(C)(C)CC3)C2=O)cn1
365636934	ZINC000336553185	ref	3.71	-10.76	0	289.354	2.176	1	4	3	Cc1c(CN2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cnn1C
365636935	ZINC000336553185	mid	6.15	-42.05	1	289.354	2.176	2	3	3	Cc1c(C[N@@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cnn1C
365636936	ZINC000336553185	mid	5.46	-42.98	1	289.354	2.176	2	3	3	Cc1c(C[N@H+]2C[C@@H](O)C[C@H]2c2ccc(F)cc2)cnn1C
365636939	ZINC000336552860	ref	5.12	-9.89	0	294.782	2.166	0	3	3	CN([C@@H]1CCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O
342079434	ZINC000608862608	ref	9.01	-45.03	1	278.352	1.122	1	4	7	COC(=O)[C@@H](C)C[N@H+](CCn1ccccc1=O)C1CC1
342079435	ZINC000608862608	mid	8.99	-44.08	1	278.352	1.122	1	4	7	COC(=O)[C@@H](C)C[N@@H+](CCn1ccccc1=O)C1CC1
342079436	ZINC000608862608	high	7.16	-12.64	0	278.352	1.122	0	5	7	COC(=O)[C@@H](C)CN(CCn1ccccc1=O)C1CC1
342079437	ZINC000625304964	ref	2.42	-10.3	0	270.13	1.076	0	3	2	CN1CN(Cc2ccncc2Br)CC1=O
365636940	ZINC000336552860	mid	7.27	-41.9	1	294.782	2.166	1	2	3	C[N@H+]([C@@H]1CCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O
365636942	ZINC000336552860	mid	7.43	-40.28	1	294.782	2.166	1	2	3	C[N@@H+]([C@@H]1CCOC1)[C@@H]1CCN(c2ccccc2Cl)C1=O
365636945	ZINC000336554095	ref	7.83	-42.96	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@@H+]1CCC[C@H]2COCC[C@H]21
365636946	ZINC000336554095	mid	7.47	-44.98	1	264.369	2.335	1	3	3	Cc1noc(C)c1CC[N@H+]1CCC[C@H]2COCC[C@H]21
365636947	ZINC000336551924	ref	9.56	-43.63	1	260.385	2.204	1	3	3	C1CC(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)C1
342079438	ZINC000608863179	ref	8.81	-51.22	1	288.351	1.503	1	5	6	COC(=O)[C@@H](C)C[N@H+](Cc1cnc2ccnn2c1)C1CC1
178302724	ZINC000082800543	ref	6.0	-39.21	0	290.161	1.659	1	4	5	C[NH2+][C@@](C)(C[C@H](C)n1cc(Br)cn1)C(=O)[O-]
365636950	ZINC000336551924	mid	10.27	-43.28	1	260.385	2.204	1	3	3	C1CC(C[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)C1
343994016	ZINC000079915618	ref	6.18	-12.46	0	273.336	2.156	1	3	4	CCN(Cc1ccoc1)C(=O)[C@H]1CCc2c[nH]nc2C1
365639287	ZINC000336555675	mid	5.9	-35.67	1	253.415	2.224	1	3	3	Cc1ncc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)s1
365639291	ZINC000336555675	low	8.0	-100.73	2	253.415	2.224	2	2	3	Cc1ncc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)s1
365639296	ZINC000336555675	low	7.7	-101.05	2	253.415	2.224	2	2	3	Cc1ncc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)s1
365639298	ZINC000336555675	low	8.0	-100.73	2	253.415	2.224	2	2	3	Cc1ncc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1
214186533	ZINC000293591038	ref	0.52	-11.11	0	365.835	0.882	2	6	9	CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N(CCO)CCCO)c1
219047951	ZINC000097681934	high	5.83	-56.57	-1	338.371	1.721	0	6	6	COC[C@H](c1ccccn1)N(C)C(=O)c1ccccc1-c1nn[n-]n1
219047953	ZINC000097681832	ref	2.65	-18.96	0	326.422	0.303	1	5	6	CN(C)c1ccc(C(=O)NCCS(=O)(=O)N2CCCC2)cn1
219047956	ZINC000097680017	ref	5.19	-11.67	0	349.394	2.45	2	6	6	CCOc1ncccc1CNC(=O)c1cnc(N)nc1-c1ccccc1
219047959	ZINC000097681826	ref	9.32	-10.29	0	340.814	3.821	1	5	7	Clc1ccc(COCCNc2nccc(-c3cccnc3)n2)cc1
219047964	ZINC000097681939	ref	3.87	-49.59	1	335.301	2.426	2	2	3	[NH3+]CC[C@H]1CN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CCO1
219047966	ZINC000097680663	ref	7.84	-13.04	0	328.338	3.345	0	4	4	Cc1cc(C(=O)N(C)CCC(F)(F)F)c2cnn(C(C)C)c2n1
342596212	ZINC000616968773	ref	1.25	-16.78	0	293.373	1.49	2	5	3	O=C(N[C@@H]1CCNC1=O)c1csc(-c2cccs2)n1
219047969	ZINC000097681620	ref	8.34	-14.68	0	338.364	1.373	0	7	7	CCOC(=O)CC1CCN(C(=O)CCn2cc([N+](=O)[O-])cn2)CC1
342596213	ZINC000616968775	ref	2.75	-17.88	0	296.754	1.286	2	3	5	COc1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1Cl
214186538	ZINC000293597643	ref	1.86	-13.74	0	350.318	0.688	1	4	2	CS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)C1
214186540	ZINC000293587098	ref	6.84	-15.22	0	361.446	0.829	1	6	4	CCOc1ccnc(N2CCCN(C(=O)[C@@H]3C[C@H](C)CC(=O)N3)CC2)n1
219047972	ZINC000097682756	ref	5.65	-11.31	0	343.452	3.017	2	5	4	CSc1cc(C(=O)Nc2ccccc2N2CCC(O)CC2)ccn1
214186544	ZINC000293587223	ref	5.2	-17.69	0	367.446	0.917	1	5	2	CNC(=O)[C@H]1CN(C(=O)C=C2CCN(C(=O)OC(C)(C)C)CC2)CCO1
214186549	ZINC000293596786	ref	1.83	-21.84	0	372.491	0.866	1	6	9	Cc1cc(CN2CCN(C(=O)CCCCCCS(N)(=O)=O)CC2)on1
214186552	ZINC000293595057	ref	-2.44	-29.83	0	370.431	0.434	4	5	6	CNC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O
214186556	ZINC000293595057	mid	-1.66	-55.57	-1	370.431	0.434	3	5	6	CNC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1[O-]
214186561	ZINC000293590668	ref	3.93	-48.12	1	361.486	0.633	2	5	7	COC(=O)CN1CCC([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)CC1
219047976	ZINC000097681833	ref	6.3	-12.01	0	325.368	3.295	1	6	5	CCOc1ccc(-c2nc(N)c3cc(OC)c(OC)cc3n2)cc1
361823520	ZINC000629302665	ref	4.36	-54.38	-1	295.401	1.174	0	5	9	CCC(C)(C)CS(=O)(=O)N(CCOC)[C@@H](C)C(=O)[O-]
365636953	ZINC000225884411	high	4.1	-50.37	-1	299.415	1.517	2	4	8	CC(C)C[C@H](CNC(=O)NC[C@H]1CCCN1C)CC(=O)[O-]
365636955	ZINC000172911013	ref	3.17	-12.21	0	287.319	1.682	1	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1cnccn1
365636957	ZINC000172912948	ref	6.22	-10.47	0	293.411	1.851	0	4	3	Cc1nn(C)c(C)c1C[C@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1
365636958	ZINC000172906890	ref	4.23	-9.47	0	281.352	1.861	1	4	8	COC[C@H](C)C(=O)NC[C@@H](C)Oc1ccccc1OC
365636960	ZINC000172915076	ref	4.71	-7.05	0	278.377	1.562	2	3	5	C[C@@H](CNC(=O)C(=O)NC1CC1)Sc1ccccc1
365636961	ZINC000172907331	ref	7.94	-5.69	0	272.304	1.778	0	3	4	O=C1C(=O)N(CC2CCC2)C(=O)N1Cc1ccccc1
365636962	ZINC000172905376	ref	6.31	-10.94	0	289.379	1.802	0	3	4	CCCN(C)C(=O)[C@H]1CCCN(C(=O)c2ccncc2)C1
365636964	ZINC000172914159	ref	5.06	-14.57	0	289.379	1.255	2	3	7	CN(C)C(=O)Cc1ccc(NCC(=O)NCC2CC2)cc1
365636965	ZINC000172915644	ref	7.69	-55.67	1	279.384	1.096	1	4	2	Cn1c(C[N@@H+]2CCCC(C)(C)CC2)cc(=O)n(C)c1=O
398245406	ZINC000651429355	ref	7.15	-7.94	0	267.413	3.232	0	2	3	CCCC(C)(C)C(=O)N1CCC[C@@]2(CCCOC2)C1
365636967	ZINC000172915644	mid	7.64	-54.33	1	279.384	1.096	1	4	2	Cn1c(C[N@H+]2CCCC(C)(C)CC2)cc(=O)n(C)c1=O
398245413	ZINC000651430664	ref	6.23	-6.99	0	288.366	3.219	1	3	3	C[C@@H](CO)C1CCN(c2nccc3ccc(F)cc23)CC1
365636968	ZINC000172915644	high	5.93	-9.29	0	279.384	1.096	0	5	2	Cn1c(CN2CCCC(C)(C)CC2)cc(=O)n(C)c1=O
365636969	ZINC000172909430	ref	4.45	-11.94	0	252.314	1.734	1	3	5	COc1ccccc1O[C@@H](C)CNC(=O)N(C)C
365636972	ZINC000172914423	ref	4.6	-18.72	0	294.301	1.487	2	2	6	C=CC(=O)NCCNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F
365636974	ZINC000172907512	ref	7.73	-5.55	0	274.32	1.676	0	3	5	CC(C)CN1C(=O)C(=O)N(CCc2ccccc2)C1=O
365636977	ZINC000172914410	ref	4.52	-14.28	0	294.301	1.487	2	2	6	C=CC(=O)NCCNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F
365636979	ZINC000643093485	ref	3.84	-10.68	0	296.392	1.53	1	4	4	Nc1cccc2c1N(S(=O)(=O)CC[C@@H]1CCCO1)CC2
343994018	ZINC000079914723	ref	8.53	-44.65	1	291.395	2.402	2	4	6	CCOC(=O)c1ccc(NCC[N@@H+]2CCC[C@@H](C)C2)nc1
178302718	ZINC000022863891	ref	5.93	-40.84	1	215.3	2.432	2	1	3	Cc1cc2nc(C[NH2+]C3CC3)[nH]c2cc1C
365636981	ZINC000172907476	ref	6.18	-7.01	0	258.343	1.186	0	4	6	CSCCCN1C(=O)C(=O)N(CC(C)C)C1=O
365636984	ZINC000172911110	ref	3.8	-19.85	0	291.351	1.753	2	3	5	CC[C@H](C)NC(=O)c1ccc(OC)c(N2CCNC2=O)c1
219047954	ZINC000286546585	ref	5.9	-40.41	1	303.406	1.547	2	2	6	C[N@H+](CCC(N)=O)[C@@H](C(=O)N1CCCCC1)c1ccccc1
219047957	ZINC000286546585	mid	5.91	-39.19	1	303.406	1.547	2	2	6	C[N@@H+](CCC(N)=O)[C@@H](C(=O)N1CCCCC1)c1ccccc1
219047960	ZINC000286546585	mid	3.9	-12.26	0	303.406	1.547	1	3	6	CN(CCC(N)=O)[C@@H](C(=O)N1CCCCC1)c1ccccc1
219047963	ZINC000286548286	ref	6.2	-13.04	0	319.327	1.903	1	2	4	O=C1CN(C(=O)NCCC2=CCCC2)CCN1CC(F)(F)F
219047967	ZINC000286548060	ref	5.52	-15.14	0	309.431	2.328	1	3	5	CCS(=O)(=O)c1ccc(CC(=O)N[C@H]2CCC2(C)C)cc1
219047971	ZINC000286546659	ref	6.27	-20.92	0	317.319	1.565	0	7	7	CC(=O)OCCCS(=O)(=O)Oc1cccc([N+](=O)[O-])c1C
219047973	ZINC000286547788	ref	5.31	-18.88	0	315.348	2.268	1	4	3	CN(C(=O)c1ccc(-c2cncnc2)cc1F)[C@@H]1CCC[C@H]1O
219047975	ZINC000286547887	ref	9.94	-14.32	0	306.406	2.513	0	4	8	CCCN(C(=O)Cc1cccnc1C)[C@@H](CC)C(=O)OCC
398245407	ZINC000650858118	ref	2.12	-13.32	0	299.396	1.304	2	5	4	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@H](C)c1csc(C)n1
342596214	ZINC000616969814	ref	4.02	-16.51	0	280.393	1.881	2	3	5	CCCc1sc(C(=O)N[C@@H]2CCNC2=O)cc1CC
219047980	ZINC000286547367	ref	7.87	-11.82	0	316.401	3.248	1	4	6	Cc1noc(C)c1C(C)(C)NC(=O)[C@H](C)OCc1ccccc1
219047983	ZINC000286546197	ref	0.52	-14.9	0	304.346	0.635	2	4	4	COc1ccc(C(=O)N2CC[C@](O)(C(N)=O)C2)cc1C1CC1
219047986	ZINC000286547886	ref	5.45	-42.53	1	319.405	1.022	1	5	5	COC(=O)c1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)nc1
219047989	ZINC000286547886	mid	3.3	-7.36	0	319.405	1.022	1	5	5	COC(=O)c1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)nc1
219047993	ZINC000286547886	mid	5.45	-42.53	1	319.405	1.022	1	5	5	COC(=O)c1ccc(CN2CC[C@H](C[NH+]3CCOCC3)C2)nc1
219047996	ZINC000286547886	high	3.3	-7.36	0	319.405	1.022	0	6	5	COC(=O)c1ccc(CN2CC[C@H](CN3CCOCC3)C2)nc1
219047999	ZINC000286547874	ref	5.06	-44.42	1	319.405	1.022	1	5	5	COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)nc1
219048001	ZINC000286547874	mid	2.72	-7.94	0	319.405	1.022	1	5	5	COC(=O)c1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)nc1
219048005	ZINC000286547874	mid	5.06	-44.42	1	319.405	1.022	1	5	5	COC(=O)c1ccc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)nc1
219048007	ZINC000286547874	high	2.72	-7.94	0	319.405	1.022	0	6	5	COC(=O)c1ccc(CN2CC[C@@H](CN3CCOCC3)C2)nc1
342596215	ZINC000616968940	ref	2.49	-15.57	0	291.109	1.751	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(F)c(Cl)cc1Cl
365636970	ZINC000641604240	ref	1.53	-11.35	0	289.397	1.185	1	4	5	COCC1(NS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)CCCC1
365636973	ZINC000641604518	ref	3.6	-9.28	0	298.408	1.988	2	4	9	C=CCNS(=O)(=O)c1ccccc1NC[C@H](CC)OC
365636976	ZINC000641604001	ref	4.59	-11.68	0	281.381	1.366	0	5	2	C[C@H]1CN(c2cc(C3CC3)ncn2)C[C@@H](C)S1(=O)=O
365636980	ZINC000641604557	ref	0.48	-11.42	0	291.413	1.026	2	4	7	O=S(=O)(CC[C@@H]1CCCCO1)N[C@@H](CO)C1CCC1
365636982	ZINC000641604819	ref	0.28	-9.24	0	296.128	1.491	1	5	2	COc1ncc(Br)c(N2Cc3c[nH]nc3C2)n1
342596216	ZINC000616969774	ref	3.05	-17.11	0	264.35	1.245	2	3	2	O=C(N[C@H]1CCNC1=O)c1cc2c(s1)CCCC2
214186536	ZINC000337626479	mid	8.31	-35.85	1	298.39	3.422	1	3	4	CC1CCC(CC(=O)Nc2c[nH+]ccc2-n2cccn2)CC1
214186542	ZINC000337627810	ref	1.81	-15.89	0	291.332	2.368	3	5	3	CC(=O)Nc1ccc(O)c(C(=O)Nc2cnc(C)s2)c1
214186545	ZINC000337627810	mid	2.82	-57.2	-1	291.332	2.368	2	5	3	CC(=O)Nc1ccc([O-])c(C(=O)Nc2cnc(C)s2)c1
214186548	ZINC000337625626	ref	-0.18	-9.78	0	288.388	0.89	3	4	8	CC(C)CCNC(=O)NCC1(OCCO)CCOCC1
349534990	ZINC000594969606	low	10.37	-127.44	2	291.395	2.866	2	2	5	Cc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-]
349534994	ZINC000594969606	low	8.98	-128.41	2	291.395	2.866	2	2	5	Cc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-]
342596217	ZINC000616969563	ref	5.1	-18.02	0	274.364	1.576	2	2	6	CCCCc1ccc(CC(=O)N[C@H]2CCNC2=O)cc1
214186555	ZINC000337625150	ref	5.32	-13.44	0	289.331	2.027	1	4	7	CN(CCOCCO)C(=O)c1ccc(-c2ccccc2)o1
214186559	ZINC000337626967	ref	3.18	-9.95	0	255.314	0.988	1	4	8	Cc1ccc(CCC(=O)N(C)CCOCCO)o1
342596218	ZINC000616968989	ref	3.65	-17.03	0	278.377	1.635	2	3	2	O=C(N[C@@H]1CCNC1=O)c1cc2c(s1)CCCCC2
342596219	ZINC000616968852	ref	3.66	-22.54	0	286.331	1.597	2	3	3	Cc1cc2occ(CC(=O)N[C@H]3CCNC3=O)c2cc1C
214186566	ZINC000337626491	ref	7.14	-17.78	0	280.343	2.117	1	2	5	CC(C)[C@H](NC(=O)CC(=O)N(C)C)c1ccc(F)cc1
432002747	ZINC000061891769	ref	6.15	-7.28	0	309.207	3.24	1	3	4	COc1ccc(Br)cc1CN[C@H]1CCC[C@@H]1C#N
214186577	ZINC000337626620	ref	1.36	-12.83	0	288.303	2.365	2	5	4	COc1cc(NC(=O)c2cncc(O)c2)c(C)c(OC)c1
365636985	ZINC000641604008	ref	4.13	-14.18	0	260.337	1.595	2	4	4	O=C1CCc2ccc(N[C@@H](CO)C3CCCC3)nc21
178302721	ZINC000022863891	high	4.65	-8.43	0	215.3	2.432	2	2	3	Cc1cc2nc(CNC3CC3)[nH]c2cc1C
365636975	ZINC000123374329	ref	5.78	-10.88	0	291.395	2.176	0	4	3	CC(C)N(C)C(=O)c1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1
365636978	ZINC000123401769	ref	3.83	-8.49	0	274.364	2.107	1	3	3	NC(=O)c1cccc2c1CCCN2C[C@H]1CCCCO1
365636983	ZINC000123393823	ref	5.23	-40.14	1	254.418	2.267	1	2	6	C[C@@H](CCN1CCOCC1)[NH2+]CC1CCCCC1
365636986	ZINC000123393823	low	7.66	-111.91	2	254.418	2.267	2	1	6	C[C@@H](CC[NH+]1CCOCC1)[NH2+]CC1CCCCC1
365636989	ZINC000123363132	ref	7.23	-35.8	1	262.397	2.48	1	2	5	C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2)CCN1C
365636993	ZINC000123363132	mid	7.45	-35.51	1	262.397	2.48	1	2	5	C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CCN1C
365636995	ZINC000123363132	mid	9.36	-100.32	2	262.397	2.48	2	1	5	C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2)CC[N@@H+]1C
365636998	ZINC000123363132	mid	9.75	-99.82	2	262.397	2.48	2	1	5	C[C@@H]1C[C@H]([NH+](C)CCOc2ccccc2)CC[N@H+]1C
365637000	ZINC000123363132	mid	9.54	-98.05	2	262.397	2.48	2	1	5	C[C@@H]1C[C@H]([N@H+](C)CCOc2ccccc2)CC[NH+]1C
282122820	ZINC000248972104	mid	0.68	-40.15	1	317.813	1.143	4	4	9	C[C@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1Cl)[C@H](C)CO
282122824	ZINC000248972104	high	-1.37	-11.69	0	317.813	1.143	3	5	9	C[C@H](O)CN(C[C@@H](O)COc1ccccc1Cl)[C@H](C)CO
282122828	ZINC000248972790	ref	1.81	-14.68	0	314.426	1.955	3	4	4	C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@H]1CC[C@@H](O)CC1
282122831	ZINC000248976188	ref	2.3	-10.21	0	304.456	1.348	2	3	6	CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)[C@H]1CCO[C@H]1C
282122835	ZINC000248976188	mid	3.82	-48.45	1	304.456	1.348	2	3	6	CC[C@@H]1CCCC[N@H+]1CCNS(=O)(=O)[C@H]1CCO[C@H]1C
214186550	ZINC000278488930	ref	6.74	-6.07	0	320.234	3.302	0	3	3	CN(Cc1c(Br)cnn1C)[C@@H]1CCc2ccccc21
342596220	ZINC000616969134	ref	3.85	-19.95	0	295.342	1.73	2	3	3	O=C(N[C@@H]1CCNC1=O)c1cc(C2CC2)nc2ccccc12
230730811	ZINC000425462592	ref	4.34	-11.76	0	320.389	2.324	2	4	8	COc1cc(OC)cc(OCCCNC(=O)N[C@@H]2CC23CC3)c1
365637002	ZINC000123363132	mid	9.75	-99.82	2	262.397	2.48	2	1	5	C[C@@H]1C[C@H]([N@@H+](C)CCOc2ccccc2)CC[NH+]1C
365637003	ZINC000123363132	mid	7.09	-35.37	1	262.397	2.48	1	2	5	C[C@@H]1C[C@H](N(C)CCOc2ccccc2)CC[N@@H+]1C
365637006	ZINC000123363132	mid	7.48	-34.88	1	262.397	2.48	1	2	5	C[C@@H]1C[C@H](N(C)CCOc2ccccc2)CC[N@H+]1C
342596221	ZINC000616968900	ref	3.26	-17.04	0	266.366	1.627	2	3	4	CCCc1cc(C(=O)N[C@@H]2CCNC2=O)sc1C
365637011	ZINC000123321946	ref	9.41	-10.98	0	261.369	2.339	0	3	2	C[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C[C@H]1n1ccnc1
219047978	ZINC000097681825	ref	6.91	-14.78	0	336.779	1.655	0	5	2	Cn1cc(Cl)c(C(=O)N2CCCN(C(=O)c3ccco3)CC2)n1
219047981	ZINC000097681899	ref	4.18	-8.65	0	348.453	2.979	1	7	6	CCc1nc(C)c(C(=O)NCc2nc(Cc3cccs3)no2)s1
219047984	ZINC000097681880	ref	6.33	-47.64	1	334.42	0.444	2	4	5	COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1
219047987	ZINC000097681880	mid	6.11	-48.28	1	334.42	0.444	2	4	5	COCC[N@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[nH]cn3)CC2)C1
214186551	ZINC000278488930	low	8.95	-40.16	1	320.234	3.302	1	2	3	Cn1ncc(Br)c1C[N@H+](C)[C@@H]1CCc2ccccc21
214186554	ZINC000278488930	low	8.85	-36.01	1	320.234	3.302	1	2	3	Cn1ncc(Br)c1C[N@@H+](C)[C@@H]1CCc2ccccc21
219047990	ZINC000097681880	high	5.17	-66.22	0	334.42	0.444	1	4	5	COCC[N@@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)C1
342079439	ZINC000608863179	mid	8.7	-50.85	1	288.351	1.503	1	5	6	COC(=O)[C@@H](C)C[N@@H+](Cc1cnc2ccnn2c1)C1CC1
214186557	ZINC000278487626	ref	6.98	-10.79	0	319.474	3.278	1	4	10	COCCSCCCN(C)Cc1nc(-c2ccccc2)c[nH]1
365636987	ZINC000172911677	ref	4.53	-52.4	1	277.368	1.118	3	2	7	CC[NH+](CC)CCNC(=O)c1cccc(C(=O)NC)c1
214186560	ZINC000278487626	mid	9.45	-45.56	1	319.474	3.278	2	3	10	COCCSCCC[N@H+](C)Cc1nc(-c2ccccc2)c[nH]1
365636990	ZINC000172912319	ref	4.3	-14.38	0	277.299	1.98	1	4	5	Cc1noc(CCNC(=O)[C@H](C)c2cccc(F)c2)n1
219047992	ZINC000097681880	high	4.95	-66.38	0	334.42	0.444	1	4	5	COCC[N@H+]1CC[C@@H](C(=O)N2CCC(c3cc(=O)[n-]cn3)CC2)C1
219047997	ZINC000097682173	ref	5.85	-11.8	0	338.751	2.16	1	6	7	COc1ccc(Cl)cc1CNC(=O)CCn1cc([N+](=O)[O-])cn1
219047998	ZINC000097680684	ref	4.64	-10.38	0	330.228	3.047	0	3	5	CN(CCC(F)(F)F)C(=O)c1ccc(OCC(F)(F)F)nc1
219048000	ZINC000097681123	ref	3.25	-17.74	0	331.397	1.569	1	5	3	O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1ccccn1
214186563	ZINC000278487626	mid	9.26	-45.93	1	319.474	3.278	2	3	10	COCCSCCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1
219048003	ZINC000097681141	ref	3.98	-17.35	0	336.438	2.235	1	5	3	O=C(Nc1cccc(N2CCS(=O)(=O)CC2)c1)c1cccs1
133428469	ZINC000306491623	ref	4.07	-6.89	0	189.205	1.58	1	1	3	C=C(C)CNC(=O)[C@@H]1[C@@H](C)C1(F)F
214186568	ZINC000278488543	ref	6.06	-16.8	0	307.415	2.126	0	3	3	CS(=O)(=O)[C@@H]1CCCCN(C(=O)/C=C/c2ccccc2)C1
259308342	ZINC000322971506	high	3.45	-12.06	0	248.326	1.961	2	3	4	Cc1cc(CN)cc(NC(=O)C[C@@H]2CCCO2)c1
214186565	ZINC000293590668	low	6.12	-118.64	2	361.486	0.633	3	4	7	COC(=O)CN1CCC([NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1
214186567	ZINC000293590668	low	6.1	-118.79	2	361.486	0.633	3	4	7	COC(=O)CN1CCC([NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)CC1
398245408	ZINC000649443700	ref	1.23	-11.25	0	232.283	1.38	2	4	3	Cc1c(-c2ccc(CO)c(CO)c2)cnn1C
219047982	ZINC000350695505	ref	7.33	-17.37	0	294.399	2.085	1	3	6	CCN(CCOC)C(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1
214186571	ZINC000293585532	ref	0.31	-16.71	0	357.472	0.734	1	6	9	COCCc1ccc(OC[C@@H](O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1
214186573	ZINC000293585532	low	2.86	-61.54	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@@H](O)C[N@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1
219047985	ZINC000350682323	ref	2.05	-14.47	0	293.323	-0.056	3	4	6	COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](C)NC(N)=O
299072235	ZINC000354601801	high	6.01	-40.81	-1	327.396	0.163	2	7	3	Cn1cc(CN2CCCN(c3nc4[nH][n-]cc-4c(=N)n3)CC2)cn1
214186576	ZINC000293585532	low	3.13	-60.47	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@@H](O)C[N@@H+](C)[C@@H]2CCS(=O)(=O)C2)cc1
214186580	ZINC000293597275	ref	-0.95	-22.85	0	366.805	0.491	4	6	7	C[C@@](O)(C(=O)Nc1cnn(CC(=O)NCCO)c1)c1ccc(Cl)cc1
299072238	ZINC000354602063	ref	5.28	-15.42	0	325.478	0.895	0	4	3	C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)[C@@H]2CCSC2)CC1
299072241	ZINC000354602063	low	7.56	-44.14	1	325.478	0.895	1	3	3	C[C@H](C(=O)N1CCCC1)[NH+]1CCN(C(=O)[C@@H]2CCSC2)CC1
282122823	ZINC000114261380	high	4.63	-15.15	0	305.426	1.282	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C)N1CCCCCC1)CC2
219048002	ZINC000350686288	ref	7.07	-6.18	0	260.312	3.353	1	3	3	CO[C@@H]1CC[C@@H](Nc2nccc3ccc(F)cc23)C1
214186583	ZINC000293586896	ref	3.41	-11.41	0	353.35	0.697	1	6	5	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc(OC)nc2C)C1
214186587	ZINC000293586834	ref	0.36	-11.51	0	370.203	0.773	3	5	6	COCC[C@@H](CO)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1
214186591	ZINC000293586902	ref	3.28	-11.95	0	353.35	0.697	1	6	5	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc(OC)nc2C)C1
185089025	ZINC000096078529	mid	7.57	-91.35	2	294.395	1.449	2	3	4	C[NH+](C)C[C@@H]1CO[C@]2(COCC[N@H+](Cc3ccoc3)C2)C1
219048004	ZINC000350686288	low	7.4	-30.78	1	260.312	3.353	1	2	3	CO[C@@H]1CC[C@@H](Nc2[nH+]ccc3ccc(F)cc23)C1
219048008	ZINC000350689002	ref	9.16	-13.72	0	295.423	3.003	0	3	5	CCOC(=O)C1(CC(=O)N2CC(C)(C)[C@H]2C(C)C)CCC1
365636988	ZINC000641604817	ref	3.31	-12.22	0	253.314	1.773	1	2	6	C=CCCNS(=O)(=O)C[C@@H]1C(C)(C)C1(F)F
365636991	ZINC000641604704	ref	3.09	-5.69	0	280.343	1.977	1	4	2	O[C@@H]1CCCC[C@H]1[C@H]1COCCN1c1ccncc1F
230730793	ZINC000450410729	ref	0.13	-8.23	0	305.338	1.146	0	8	5	CC[C@@H]1COCCN1Cc1nc(-c2cc(OC)ncn2)no1
365636994	ZINC000641604704	low	3.55	-36.07	1	280.343	1.977	1	3	2	O[C@@H]1CCCC[C@H]1[C@H]1COCCN1c1cc[nH+]cc1F
365636996	ZINC000641604003	ref	4.99	-11.6	0	281.381	1.366	0	5	2	C[C@@H]1CN(c2cc(C3CC3)ncn2)C[C@@H](C)S1(=O)=O
214186572	ZINC000278488826	ref	3.44	-51.8	1	300.742	1.879	2	4	6	O=[N+]([O-])c1ccc(C[NH2+][C@]2(CCO)CCOC2)c(Cl)c1
214186575	ZINC000278488826	mid	2.21	-9.45	0	300.742	1.879	2	5	6	O=[N+]([O-])c1ccc(CN[C@]2(CCO)CCOC2)c(Cl)c1
214186578	ZINC000278487805	ref	5.45	-13.57	0	320.389	1.625	0	4	3	CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1
214186582	ZINC000278487613	ref	4.76	-13.66	0	322.413	2.047	0	8	9	CCn1ncnc1CN(C)Cc1nc([C@H](C)OCC(C)C)no1
214186586	ZINC000278488523	ref	5.38	-12.49	0	323.396	3.382	2	3	6	COc1cc(CNC(=O)C[C@H](C)c2c[nH]c3ccccc23)ccn1
214186590	ZINC000278488256	ref	7.38	-6.47	0	310.397	3.293	2	2	3	Cc1ccc(NC(=O)C(=O)NC(C)(C)c2ccccc2)cc1C
214186595	ZINC000278487100	ref	7.27	-13.44	0	312.772	3.113	2	2	5	CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cccc(Cl)c1F
214186598	ZINC000278488028	ref	6.49	-9.69	0	310.394	2.171	1	4	6	COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CCOC[C@@H]1C
214186603	ZINC000278488223	ref	4.62	-44.83	1	302.418	2.232	1	3	5	C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc2c(c1)COC2
214186607	ZINC000278487217	ref	4.61	-42.3	1	301.386	2.886	2	3	6	Cc1ccc(-c2ccc(C[NH2+][C@@]3(CCO)CCOC3)o2)cc1
214186608	ZINC000278487217	mid	3.83	-7.48	0	301.386	2.886	2	4	6	Cc1ccc(-c2ccc(CN[C@@]3(CCO)CCOC3)o2)cc1
282122826	ZINC000151665219	ref	4.91	-38.22	1	307.404	2.477	1	2	6	CC[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCCC1
214186616	ZINC000278488216	ref	6.33	-22.33	0	324.362	1.484	1	6	3	CS(=O)(=O)[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1
214186622	ZINC000278488800	ref	5.51	-20.6	0	305.3	2.169	1	3	3	CO[C@H](C)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
214186624	ZINC000278488800	mid	5.43	-15.53	0	305.3	2.169	1	3	3	CO[C@H](C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
168366138	ZINC000042463978	low	3.47	-104.68	2	186.299	0.833	2	1	4	C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C[C@@H]1CCCO1
349534991	ZINC000258923250	ref	5.28	-6.8	0	201.266	1.196	0	3	3	COC(=O)CCC(=O)N(C)C(C)(C)C
349534996	ZINC000258919579	ref	7.67	-58.13	1	202.301	2.349	1	1	5	Cc1ccc(CC[NH2+]CCC#N)c(C)c1
349534999	ZINC000258919579	mid	6.31	-7.46	0	202.301	2.349	1	2	5	Cc1ccc(CCNCCC#N)c(C)c1
349535003	ZINC000354896221	ref	4.13	-12.65	0	248.326	1.456	2	3	6	C=C[C@@](C)(O)CC(=O)N[C@@H](C)Cc1ccncc1
349535007	ZINC000602431160	ref	6.46	-38.89	1	241.331	1.44	1	3	5	COC(=O)[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)C1
349535010	ZINC000602431160	mid	6.93	-38.26	1	241.331	1.44	1	3	5	COC(=O)[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)C1
349535013	ZINC000602430415	ref	2.64	-52.46	1	240.303	0.348	2	3	4	COC(=O)[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)C(C)C
349535017	ZINC000258910211	ref	6.27	-7.2	0	238.693	2.872	1	2	4	N#CC1(CNCc2cc(Cl)ccc2F)CC1
349535021	ZINC000258910211	low	7.65	-46.07	1	238.693	2.872	1	1	4	N#CC1(C[NH2+]Cc2cc(Cl)ccc2F)CC1
349535025	ZINC000258905210	ref	5.17	-9.69	0	238.718	2.742	1	3	6	CCOc1ccc(CNCCC#N)cc1Cl
349535029	ZINC000258905210	mid	6.53	-60.87	1	238.718	2.742	1	2	6	CCOc1ccc(C[NH2+]CCC#N)cc1Cl
214186574	ZINC000053496050	ref	7.06	-33.77	1	333.339	4.109	1	2	7	CCC(C)(C)[NH2+]C[C@H](C)N(C)Cc1cc(Br)cs1
349535032	ZINC000602430801	ref	5.99	-45.82	1	225.336	1.384	2	2	8	CCNC(=O)C[N@H+](CC)C[C@@H](C)CCC#N
349535035	ZINC000602430801	mid	5.97	-46.95	1	225.336	1.384	2	2	8	CCNC(=O)C[N@@H+](CC)C[C@@H](C)CCC#N
349535037	ZINC000602430801	high	4.26	-12.69	0	225.336	1.384	1	3	8	CCNC(=O)CN(CC)C[C@@H](C)CCC#N
349535040	ZINC000602431019	ref	7.92	-45.12	1	206.289	2.651	1	2	6	C[C@H](CCC#N)C[N@H+](C)Cc1ccco1
349535042	ZINC000602431019	mid	7.82	-45.26	1	206.289	2.651	1	2	6	C[C@H](CCC#N)C[N@@H+](C)Cc1ccco1
349535044	ZINC000602431019	high	5.88	-8.93	0	206.289	2.651	0	3	6	C[C@H](CCC#N)CN(C)Cc1ccco1
349535045	ZINC000602430664	ref	7.68	-43.64	1	240.303	2.083	1	4	7	CCC[N@H+](CC)Cc1cc(C(=O)OCC)no1
349535046	ZINC000602430664	mid	7.68	-43.75	1	240.303	2.083	1	4	7	CCC[N@@H+](CC)Cc1cc(C(=O)OCC)no1
349535048	ZINC000602430664	mid	5.57	-6.01	0	240.303	2.083	0	5	7	CCCN(CC)Cc1cc(C(=O)OCC)no1
349535050	ZINC000602430157	ref	10.78	-42.81	1	247.346	1.682	1	4	6	C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1Cn1cncn1
229488332	ZINC000177129858	ref	3.38	-11.39	0	242.319	1.379	1	3	4	COC(=O)NCCCC(=O)N1CC[C@@H](C)[C@H]1C
229488340	ZINC000310073144	ref	9.68	-38.18	1	229.367	3.629	1	0	3	Cc1ccccc1C1CC([NH2+][C@H]2CC[C@H]2C)C1
229488382	ZINC000310080413	ref	9.22	-42.14	1	233.33	3.46	1	0	3	C[C@@H]1CC[C@@H]1[NH2+]C1CC(c2cccc(F)c2)C1
214186579	ZINC000053512461	ref	3.68	-12.22	0	345.371	1.167	1	3	4	C=CCNC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1
219048006	ZINC000097680954	ref	10.92	-49.65	1	342.447	1.758	2	5	5	C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)NC(=O)c2ccc(-n3cncn3)nc2)C1
219048009	ZINC000097680954	mid	11.03	-50.29	1	342.447	1.758	2	5	5	C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)NC(=O)c2ccc(-n3cncn3)nc2)C1
214186585	ZINC000053517599	ref	7.11	-13.72	0	338.455	2.46	1	3	5	Cc1ccccc1CN1CCN(C(=O)NCCc2ccccn2)CC1
214186588	ZINC000053517599	mid	9.52	-48.13	1	338.455	2.46	2	2	5	Cc1ccccc1C[NH+]1CCN(C(=O)NCCc2ccccn2)CC1
219048010	ZINC000097682394	ref	3.34	-13.72	0	338.333	2.843	1	4	3	O=C(Nc1ccc2nccnc2c1)[C@@H]1CCCN(CC(F)(F)F)C1
398245410	ZINC000650857075	ref	4.5	-37.09	1	295.427	1.868	3	2	4	C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2
219048015	ZINC000097681881	ref	5.74	-14.27	0	333.457	2.766	2	4	6	O=C(CCCc1cn[nH]c1)N1CCC([C@@H](O)c2cccs2)CC1
398245414	ZINC000650857075	mid	4.12	-38.59	1	295.427	1.868	3	2	4	C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2
214186597	ZINC000053495319	ref	4.09	-12.68	0	326.462	2.195	2	3	5	Cc1cc(C)c(S(=O)(=O)NCCC(=O)NC(C)(C)C)c(C)c1
219048019	ZINC000097681613	ref	6.45	-9.05	0	328.334	3.102	1	3	4	CC(=O)c1ccccc1NC(=O)[C@H]1CCCN(CC(F)(F)F)C1
219048021	ZINC000097680689	ref	5.3	-13.52	0	329.322	3.679	0	4	4	Cc1noc2nc(C(C)C)cc(C(=O)N(C)CCC(F)(F)F)c12
219048025	ZINC000097681813	ref	9.2	-63.11	1	339.439	2.088	2	3	6	CCn1ccc(C(=O)NCC[N@@H+]2CC[C@@H](c3ccccc3)C2)cc1=O
219048026	ZINC000097681813	mid	9.25	-63.06	1	339.439	2.088	2	3	6	CCn1ccc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)cc1=O
214186602	ZINC000053515523	ref	7.28	-19.66	0	339.457	2.506	0	4	5	C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(S(C)(=O)=O)cc1
214186605	ZINC000053510062	ref	10.97	-14.0	0	326.444	2.938	1	3	6	O=C(NCCCn1ccnc1)N1CCC(Cc2ccccc2)CC1
219048029	ZINC000097681813	high	6.64	-20.68	0	339.439	2.088	1	4	6	CCn1ccc(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)cc1=O
306234688	ZINC000557899005	ref	1.97	-13.75	0	328.39	1.252	2	5	6	CCOC(=O)C(C)(C)CC(=O)Nc1ccc(S(N)(=O)=O)cc1
365636992	ZINC000172905273	ref	4.51	-11.26	0	289.335	1.626	1	5	6	COc1ccccc1O[C@H](C)CNC(=O)c1ccnn1C
398249315	ZINC000651465070	ref	4.26	-8.28	0	284.425	3.293	1	4	7	CCCC(C)(C)C(=O)NCc1csc([C@@H](C)OC)n1
365636997	ZINC000172911006	ref	3.1	-12.28	0	287.319	1.682	1	5	6	COc1ccccc1O[C@@H](C)CNC(=O)c1cnccn1
365637001	ZINC000172915423	ref	3.01	-13.44	0	268.386	1.989	1	5	3	CC1(C)CCCN(CC(=O)Nc2nncs2)CC1
365637005	ZINC000172915423	mid	5.45	-48.72	1	268.386	1.989	2	4	3	CC1(C)CCC[N@H+](CC(=O)Nc2nncs2)CC1
365637007	ZINC000172915423	mid	5.52	-48.13	1	268.386	1.989	2	4	3	CC1(C)CCC[N@@H+](CC(=O)Nc2nncs2)CC1
365637009	ZINC000172906883	ref	4.18	-9.94	0	281.352	1.861	1	4	8	COC[C@H](C)C(=O)NC[C@H](C)Oc1ccccc1OC
365637012	ZINC000332023124	ref	4.74	-11.28	0	283.331	1.661	1	5	3	COc1ccc(Cn2ncc3c2C[C@@H](O)CC3)cc1C#N
365637017	ZINC000172915217	ref	4.06	-15.09	0	278.377	1.562	2	3	5	C[C@@H](CNC(=O)[C@H]1CCC(=O)N1)Sc1ccccc1
230730813	ZINC000414305390	ref	10.56	-15.61	0	314.364	3.348	1	4	4	CCn1[nH]c(C)nc1=NCc1ccc(-c2cccc(F)c2C)o1
365637020	ZINC000172908539	ref	2.77	-12.11	0	284.381	1.57	2	3	4	Cc1ccc(C)c(NC(=O)C(C)(C)NS(C)(=O)=O)c1
365637022	ZINC000172909697	ref	3.69	-8.01	0	270.764	1.252	0	4	2	CCn1nc(C)c(C(=O)N2CCN(C)CC2)c1Cl
365637027	ZINC000172909697	low	6.03	-44.84	1	270.764	1.252	1	3	2	CCn1nc(C)c(C(=O)N2CC[NH+](C)CC2)c1Cl
365637032	ZINC000643093484	ref	3.81	-10.63	0	296.392	1.53	1	4	4	Nc1cccc2c1N(S(=O)(=O)CC[C@H]1CCCO1)CC2
365637036	ZINC000172908643	ref	7.36	-12.14	0	278.287	1.993	0	6	5	CCCOC(=O)[C@@H](C)n1nnc(-c2cccc(F)c2)n1
365637039	ZINC000172907241	ref	0.95	-38.51	-1	299.27	1.815	0	4	7	COCCS(=O)(=O)[N-]c1ccc(F)cc1OC(F)F
365637042	ZINC000172907241	mid	0.87	-10.65	0	299.27	1.815	1	4	7	COCCS(=O)(=O)Nc1ccc(F)cc1OC(F)F
365637045	ZINC000172915100	ref	3.78	-9.94	0	290.363	1.792	2	4	7	O=C(CNc1ccc(O[C@@H]2CCOC2)cc1)NCC1CC1
365637048	ZINC000643093420	ref	4.39	-11.58	0	290.363	1.921	2	3	4	C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(C)C[C@@H](O)C1CC1
365637051	ZINC000172913993	ref	9.03	-13.84	0	256.309	1.812	0	4	2	Cc1cc(C(=O)N2CCCC2)ccc1-n1cncn1
365637055	ZINC000172905158	ref	5.41	-9.67	0	268.342	1.687	1	7	5	COC[C@@H](C)Sc1nnc(-c2ccoc2C)n1N
365637059	ZINC000172908022	ref	2.0	-11.26	0	259.103	1.276	2	2	2	CC(C)NC(=O)c1c[nH]c(=O)c(Br)c1
365637064	ZINC000172912941	ref	6.26	-12.29	0	293.411	1.851	0	4	3	Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1C[C@H](C)O[C@H](C)C1
365637067	ZINC000172912951	ref	6.23	-10.75	0	293.411	1.851	0	4	3	Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1
365637071	ZINC000172915453	ref	6.67	-11.27	0	252.347	1.523	1	6	3	Cn1ncnc1CSc1nnc(C(C)(C)C)[nH]1
219048011	ZINC000286547682	ref	8.98	-12.35	0	312.351	2.305	1	8	6	COC(=O)C(C)(C)CCNc1nc2sccn2c1[N+](=O)[O-]
343994021	ZINC000079914723	mid	8.51	-45.42	1	291.395	2.402	2	4	6	CCOC(=O)c1ccc(NCC[N@H+]2CCC[C@@H](C)C2)nc1
214186581	ZINC000337626620	mid	2.11	-48.65	-1	288.303	2.365	1	5	4	COc1cc(NC(=O)c2cncc([O-])c2)c(C)c(OC)c1
219048017	ZINC000286546360	ref	4.14	-9.44	0	306.406	2.305	2	3	6	COCc1cccc(CNC(=O)NC[C@H]2CCOC[C@H]2C)c1
219048020	ZINC000286546541	ref	6.08	-12.26	0	309.793	3.077	1	3	3	CCOC1CC2(CCN(C(=O)c3ccc(Cl)cc3O)C2)C1
219048023	ZINC000286546541	mid	7.04	-54.66	-1	309.793	3.077	0	3	3	CCOC1CC2(CCN(C(=O)c3ccc(Cl)cc3[O-])C2)C1
219048027	ZINC000286547921	ref	4.56	-13.05	0	308.407	1.061	0	5	4	CN(C[C@@H]1CCCN(c2cnccc2C#N)C1)S(C)(=O)=O
214186584	ZINC000337626368	ref	4.73	-7.33	0	274.368	2.046	2	5	6	CC(C)CC[C@@](C)(O)CNc1ncnc2ccncc12
214186589	ZINC000337625499	ref	3.34	-45.33	1	273.377	0.121	3	3	7	CCN(CCOCCO)C(=O)NC1CC[NH+](C)CC1
214186593	ZINC000337625499	high	0.95	-13.44	0	273.377	0.121	2	4	7	CCN(CCOCCO)C(=O)NC1CCN(C)CC1
219048031	ZINC000286547017	ref	4.62	-9.55	0	323.393	0.976	1	5	4	CC[C@@H]1CN(C(=O)C(=O)NCCc2c(C)noc2C)C[C@@H](C)O1
282122829	ZINC000262903006	ref	3.95	-46.96	1	291.399	0.925	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCC[C@]1(C)[NH3+])CC2
282122833	ZINC000362747514	ref	5.94	-43.11	1	277.372	0.215	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)CC2
398245412	ZINC000649440634	ref	5.87	-9.07	0	242.278	2.88	1	3	1	Cc1oncc1-c1ccc2c(c1)C(C)(C)C(=O)N2
342079440	ZINC000608863179	mid	6.9	-11.47	0	288.351	1.503	0	6	6	COC(=O)[C@@H](C)CN(Cc1cnc2ccnn2c1)C1CC1
219048038	ZINC000286548063	ref	5.38	-15.1	0	309.431	2.328	1	3	5	CCS(=O)(=O)c1ccc(CC(=O)N[C@@H]2CCC2(C)C)cc1
365636999	ZINC000641604025	ref	2.87	-9.52	0	259.371	1.273	1	3	3	C[C@@H]1COCC[C@@H]1S(=O)(=O)N[C@@]12CCC[C@@H]1C2
219048042	ZINC000286546241	ref	4.71	-13.24	0	319.401	1.592	1	4	5	O=C(COCc1ccccc1)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
365637004	ZINC000641604176	ref	3.02	-10.18	0	258.325	1.53	1	5	3	Cc1cnn([C@H]2CCN(c3cc(CO)ccn3)C2)c1
214186596	ZINC000337626110	ref	8.26	-11.3	0	295.245	3.123	1	4	4	Cn1c(C(=O)Nc2cccc(C(F)F)c2)ccc1[N+](=O)[O-]
219048045	ZINC000286547958	ref	6.76	-16.13	0	320.345	2.001	0	5	6	COCC1(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CCC1
398245416	ZINC000649443616	ref	5.68	-47.95	1	240.306	2.62	1	2	2	COc1ccc(C2=CC[NH2+]CC2)c2cnccc12
219048012	ZINC000350694700	ref	6.24	-8.85	0	273.38	3.271	2	2	2	CC1(C)CC[C@H]1NC(=O)Nc1cnc2c(c1)CCCC2
342079441	ZINC000077845228	ref	1.95	-6.72	0	296.342	1.677	3	3	5	CC[C@H](C)[C@](C)(O)CNC(=O)C(=O)Nc1ccccc1F
178302729	ZINC000082798595	ref	2.75	-49.6	1	261.774	2.24	1	2	4	C[C@H]([NH3+])C[C@@H](C)S(=O)(=O)c1cccc(Cl)c1
178302730	ZINC000082802905	ref	5.19	-51.46	1	273.361	2.277	2	3	2	Cc1csc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)n1
178302733	ZINC000082802905	high	3.77	-8.21	0	273.361	2.277	2	4	2	Cc1csc(NC(=O)[C@@H]2CNCc3ccccc32)n1
219048016	ZINC000350693927	ref	-0.97	-10.33	0	293.314	-0.407	2	4	6	CC(C)NC(=O)CNC(=O)[C@H]1COCCN1CC(F)F
342079442	ZINC000071074631	ref	6.24	-8.3	0	284.366	1.436	0	8	5	COC(=O)[C@@H](C)Sc1nnnn1Cc1cccs1
219048018	ZINC000350696407	ref	7.82	-9.87	0	298.39	3.491	2	3	3	Cc1ccnn1-c1ccccc1NC(=O)N[C@H]1CCC1(C)C
398245417	ZINC000650857075	high	2.36	-7.98	0	295.427	1.868	2	3	4	C[C@H]1CCC[C@@H](C)N1CCNC(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2
398245420	ZINC000650857293	ref	1.88	-9.25	0	283.416	1.416	3	2	3	C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1CCC[C@@H](O)C1
365637008	ZINC000641604176	low	3.1	-33.2	1	258.325	1.53	1	4	3	Cc1cnn([C@H]2CCN(c3cc(CO)cc[nH+]3)C2)c1
219048028	ZINC000350686603	ref	4.48	-9.92	0	299.798	2.212	2	3	7	CC(C)(O)CC(=O)N(CCCO)Cc1cccc(Cl)c1
214186594	ZINC000293586092	ref	1.28	-33.64	-1	362.308	0.157	1	6	2	C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cnc([O-])n(C)c1=O
219048032	ZINC000350684441	ref	6.77	-7.94	0	258.431	2.072	0	3	6	CCCCN(CC)C(=O)CN1CCS[C@@H](C)C1
214186599	ZINC000293586092	mid	-0.44	-80.71	-2	362.308	0.157	0	6	2	C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cnc([O-])n(C)c1=O
342079443	ZINC000625304491	ref	7.34	-51.24	1	296.378	1.894	1	5	6	C[C@H]([NH2+]CCc1cn(C)nn1)c1cccc(-n2cccn2)c1
219048035	ZINC000350684441	mid	8.9	-38.66	1	258.431	2.072	1	2	6	CCCCN(CC)C(=O)C[N@@H+]1CCS[C@@H](C)C1
219048036	ZINC000350684441	mid	8.84	-39.02	1	258.431	2.072	1	2	6	CCCCN(CC)C(=O)C[N@H+]1CCS[C@@H](C)C1
178302740	ZINC000082802964	ref	6.98	-46.5	1	296.37	2.911	2	2	4	CCOc1ccccc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21
282122834	ZINC000449154260	mid	2.14	-7.81	0	289.297	2.078	2	3	6	COC[C@H](CCO)N[C@@H]1CCc2cc(F)c(F)c(F)c21
282122838	ZINC000449153725	ref	5.77	-41.64	1	253.411	2.24	2	2	7	CS[C@@H](CO)[C@@H](C)[NH2+]CCc1cccc(C)c1
282122839	ZINC000449154391	ref	7.39	-44.48	1	281.377	2.001	1	4	6	COC(=O)COC[C@H](C)[NH2+][C@H]1CSc2ccccc21
343994023	ZINC000079914723	high	6.29	-5.85	0	291.395	2.402	1	5	6	CCOC(=O)c1ccc(NCCN2CCC[C@@H](C)C2)nc1
214186604	ZINC000337626872	ref	-0.81	-12.35	0	293.414	0.687	2	5	7	CC(C)COCCCN=c1[nH]cc(S(N)(=O)=O)s1
214186609	ZINC000337626872	mid	-0.31	-10.94	0	293.414	0.687	2	6	8	CC(C)COCCCNc1ncc(S(N)(=O)=O)s1
214186613	ZINC000337626872	mid	-1.05	-35.8	-1	293.414	0.687	1	5	7	CC(C)COCCCN=c1[n-]cc(S(N)(=O)=O)s1
214186617	ZINC000337626169	ref	-0.75	-13.84	0	270.333	-0.135	3	3	3	NC(=O)NC[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1
214186619	ZINC000337625125	ref	5.03	-15.51	0	291.347	2.212	1	4	7	CCN(CCOCCO)C(=O)c1c(C)oc2ccccc12
214186636	ZINC000337626622	ref	0.59	-18.84	0	253.287	0.055	1	6	4	COCCn1ccc(=NC(=O)c2csnn2)[nH]1
214186639	ZINC000337624392	ref	2.91	-11.72	0	254.286	0.633	1	5	7	CN(CCOCCO)C(=O)c1cc(C2CC2)no1
214186646	ZINC000337625976	ref	9.11	-8.81	0	297.28	3.308	2	2	4	Cc1ccc(CCC(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1
214186650	ZINC000337625976	mid	9.03	-7.54	0	297.28	3.308	2	2	4	Cc1ccc(CCC(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1
214186653	ZINC000337626643	ref	5.38	-15.96	0	298.427	2.087	1	3	10	COCCCCC(=O)N(CCC1CCCCC1)CC(N)=O
214186656	ZINC000337626394	ref	4.91	-19.58	0	291.319	-0.341	2	8	5	Cc1cc(N(C)C)nc(NC(=O)NCCn2ncnn2)n1
412491599	ZINC000563252551	ref	0.68	-11.28	0	310.358	-0.819	3	8	5	CC(C)(CCO)NC(=O)c1nc(N)nc(N2CCOCC2)n1
299072236	ZINC000567665189	ref	5.26	-42.09	1	274.389	2.324	2	2	6	[NH3+][C@H](CC(=O)NCc1ccsc1)Cc1ccccc1
214186669	ZINC000337627642	ref	1.5	-13.69	0	275.255	2.265	2	4	4	Cc1cnc(NC(=O)N[C@H]2CCC[C@H]2OC(F)F)o1
214186671	ZINC000337625861	ref	5.69	-7.76	0	278.318	3.207	2	1	3	O=C(NCC1CCC1)N[C@@H]1CCC[C@H](C(F)(F)F)C1
214186674	ZINC000337626636	ref	5.13	-16.71	0	295.289	2.453	2	3	4	O=C(N[C@H]1CCC[C@H]1OC(F)F)c1ccc2[nH]cnc2c1
214186678	ZINC000337626172	ref	-0.75	-14.38	0	270.333	-0.135	3	3	3	NC(=O)NC[C@H]1CCCN(C(=O)N[C@H]2CCOC2)C1
214186684	ZINC000337627966	ref	7.73	-42.9	1	266.772	3.01	2	1	4	C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1
214186687	ZINC000337627966	mid	7.76	-42.47	1	266.772	3.01	2	1	4	C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1
214186692	ZINC000337625093	ref	6.94	-18.54	0	272.316	0.138	2	7	4	CN(C)c1ncc(CNc2ncnc3n[nH]cc23)n1C
214186695	ZINC000337625093	mid	7.45	-44.69	1	272.316	0.138	2	6	4	CN(C)c1[nH+]cc(CNc2ncnc3n[nH]cc23)n1C
299072239	ZINC000567665189	high	4.97	-7.66	0	274.389	2.324	2	3	6	N[C@H](CC(=O)NCc1ccsc1)Cc1ccccc1
219048033	ZINC000097682157	ref	5.3	-14.66	0	337.345	3.448	1	3	3	O=C(Nc1ccc2ncccc2c1)[C@@H]1CCCN(CC(F)(F)F)C1
219048037	ZINC000097682085	ref	2.91	-12.6	0	333.417	1.002	2	5	3	C[C@@H](NC(N)=O)C(=O)N1CCN(c2nc3ccccc3s2)CC1
398245418	ZINC000651430664	low	6.29	-33.69	1	288.366	3.219	1	2	3	C[C@@H](CO)C1CCN(c2[nH+]ccc3ccc(F)cc23)CC1
342596222	ZINC000616969594	ref	3.76	-18.79	0	278.739	1.376	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1
306234689	ZINC000557916583	ref	5.65	-25.84	0	346.383	1.693	1	5	5	COc1c(CNC(=O)[C@@H]2CC[C@H](C(=O)N(C)C)O2)oc2ccccc12
219048044	ZINC000097681965	ref	2.7	-14.91	0	343.387	3.015	2	6	5	COc1ccc2oc(CNC(=O)Nc3cc(C(C)C)nn3C)nc2c1
214186601	ZINC000293593767	ref	-0.41	-13.12	0	362.386	0.534	3	7	6	COc1cc(NC(=O)C(=O)N[C@H](CO)c2cnn(C)c2)cc(OC)c1C
299072244	ZINC000567665306	ref	3.77	-45.43	1	296.754	2.048	2	3	4	COc1cc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c(OC)cc1Cl
342596223	ZINC000616969244	ref	2.56	-17.08	0	276.267	1.499	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)oc2c(F)cccc12
219048049	ZINC000097680005	ref	7.21	-9.53	0	339.443	2.158	1	6	4	Nc1nc(-c2cccc(CN3CCOCC3)c2)cc(N2CCCC2)n1
219048052	ZINC000097680005	low	10.05	-86.07	2	339.443	2.158	2	4	4	Nc1nc(N2CCCC2)cc(-c2cccc(C[NH+]3CCOCC3)c2)[nH+]1
219048054	ZINC000097680005	low	9.67	-41.65	1	339.443	2.158	2	5	4	Nc1nc(-c2cccc(C[NH+]3CCOCC3)c2)cc(N2CCCC2)n1
342596224	ZINC000616976166	ref	8.48	-12.76	0	250.346	1.488	0	4	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2nncn2C1
197593729	ZINC000162815134	ref	8.8	-19.7	0	317.397	1.097	0	6	3	CCN(C(=O)N1CCN(c2ccc3nncn3n2)CC1)C(C)C
219048057	ZINC000097680846	ref	7.24	-11.18	0	328.334	2.988	1	2	5	CN(CCC(F)(F)F)C(=O)CC[C@@H]1Cc2ccccc2NC1=O
219048059	ZINC000097680772	ref	6.71	-15.84	0	341.127	2.022	0	3	4	CN(CCC(F)(F)F)C(=O)Cn1cc(Br)ccc1=O
219048062	ZINC000097682313	ref	5.31	-10.44	0	347.415	2.675	1	4	3	C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)c1csc(-c2ccc(F)cc2)n1
398245423	ZINC000651429083	ref	6.17	-6.97	0	252.402	3.443	2	1	2	C[C@@H](NC(=O)NC12CCC(CC1)CC2)C(C)(C)C
178302737	ZINC000012339240	ref	3.27	-11.23	0	204.273	2.105	2	2	3	Cc1cc2nc(CCCO)[nH]c2cc1C
349534997	ZINC000594969606	high	6.81	-6.14	0	291.395	2.866	1	4	5	Cc1ccc(CNC[C@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-]
365637010	ZINC000641604038	ref	3.47	-9.45	0	284.319	1.3	2	5	3	Cc1cccc2c1OC[C@@H](Nc1cc(C(N)=O)ncn1)C2
365637013	ZINC000641604353	ref	2.96	-9.84	0	278.743	1.875	1	5	3	OCc1ccnc(N2CC[C@H](n3cc(Cl)cn3)C2)c1
178302741	ZINC000012339240	low	3.72	-29.45	1	204.273	2.105	2	1	3	Cc1cc2[nH]c(CCCO)[nH+]c2cc1C
365637015	ZINC000641604353	low	3.01	-35.13	1	278.743	1.875	1	4	3	OCc1cc[nH+]c(N2CC[C@H](n3cc(Cl)cn3)C2)c1
365637018	ZINC000641604555	ref	0.48	-10.76	0	291.413	1.026	2	4	7	O=S(=O)(CC[C@H]1CCCCO1)N[C@@H](CO)C1CCC1
365637021	ZINC000641604644	ref	4.98	-43.03	1	288.457	1.969	2	2	4	CC1(CS(=O)(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC1
282122836	ZINC000362747514	mid	5.73	-48.82	1	277.372	0.215	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)CC2
178302745	ZINC000211340707	ref	7.19	-52.27	-1	218.256	1.817	0	4	2	Cc1cc2nc(CC(=O)[O-])n(C)c2cc1C
178302750	ZINC000211340707	low	7.62	-31.11	0	218.256	1.817	0	3	2	Cc1cc2[nH+]c(CC(=O)[O-])n(C)c2cc1C
282122841	ZINC000246412167	ref	5.43	-47.9	1	303.41	0.938	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@H]3[NH2+]1)CC2
365637024	ZINC000641604644	mid	4.98	-42.49	1	288.457	1.969	2	2	4	CC1(CS(=O)(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCC1
365637026	ZINC000641604644	high	2.66	-8.87	0	288.457	1.969	1	3	4	CC1(CS(=O)(=O)N[C@H]2CCN(C(C)(C)C)C2)CCC1
365637028	ZINC000641604343	ref	1.05	-11.44	0	250.327	1.6	2	6	5	CCc1nnc(CNc2cc(CO)ccn2)s1
365637029	ZINC000641604343	low	1.52	-35.81	1	250.327	1.6	2	5	5	CCc1nnc(CNc2cc(CO)cc[nH+]2)s1
342088375	ZINC000621363068	high	2.13	-10.95	0	268.401	1.384	2	3	4	C[C@@H]1CCN([C@H](C)C(=O)NC2CCCC2)C[C@H]1CO
185089026	ZINC000096078529	mid	8.22	-91.65	2	294.395	1.449	2	3	4	C[NH+](C)C[C@@H]1CO[C@]2(COCC[N@@H+](Cc3ccoc3)C2)C1
342088376	ZINC000621363067	ref	4.23	-35.5	1	268.401	1.384	3	2	4	C[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1CO
342088377	ZINC000621363067	mid	4.02	-32.66	1	268.401	1.384	3	2	4	C[C@@H]1CC[N@H+]([C@H](C)C(=O)NC2CCCC2)C[C@@H]1CO
342088378	ZINC000621363067	high	1.8	-10.68	0	268.401	1.384	2	3	4	C[C@@H]1CCN([C@H](C)C(=O)NC2CCCC2)C[C@@H]1CO
342088379	ZINC000621363512	ref	6.14	-35.41	1	282.428	1.728	2	2	3	C[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1CO
342088380	ZINC000621363512	mid	5.89	-32.21	1	282.428	1.728	2	2	3	C[C@@H]1CC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1CO
342088381	ZINC000621363512	high	3.76	-9.49	0	282.428	1.728	1	3	3	C[C@@H]1CCN([C@H](C)C(=O)N2CCCCCC2)C[C@@H]1CO
342596225	ZINC000616969813	ref	4.02	-16.49	0	280.393	1.881	2	3	5	CCCc1sc(C(=O)N[C@H]2CCNC2=O)cc1CC
219048046	ZINC000350694747	ref	3.7	-15.92	0	277.368	2.31	3	3	4	Cc1ccnc(NC(=O)NC[C@@H]2CCC[C@@H](CO)C2)c1
365637014	ZINC000123321946	low	10.12	-34.11	1	261.369	2.339	0	2	2	C[C@@H]1CCN(C(=O)[C@@H]2CC2(C)C)C[C@H]1n1cc[nH+]c1
282122837	ZINC000248976188	high	2.3	-10.21	0	304.456	1.348	1	4	6	CC[C@@H]1CCCCN1CCNS(=O)(=O)[C@H]1CCO[C@H]1C
365637016	ZINC000123396108	ref	5.14	-41.56	1	252.402	2.043	1	2	6	C[C@@H](CCN1CCOCC1)[NH2+]C[C@@H]1CC=CCC1
290622680	ZINC000492523038	ref	5.18	-15.66	0	297.358	2.246	1	4	6	COc1cncc(/C=C\C(=O)N[C@H](C)Cc2ccncc2)c1
219048063	ZINC000350686071	ref	3.69	-11.43	0	274.411	2.358	2	4	7	CC(C)CSCCCNC(=O)c1csc(=O)[nH]1
219048066	ZINC000350686071	high	2.69	-33.39	-1	274.411	2.358	1	4	7	CC(C)CSCCCNC(=O)c1csc(=O)[n-]1
219048069	ZINC000350683616	ref	2.03	-11.5	0	298.333	2.018	2	3	4	CC(=O)NCC1CCN(Cc2c(F)ccc(O)c2F)CC1
282122840	ZINC000248973601	ref	2.28	-38.64	1	305.378	1.224	2	6	8	C[C@H](O)CN(Cc1nc(Cc2ccccc2)no1)[C@H](C)CO
282122843	ZINC000248973601	low	2.55	-37.58	1	305.378	1.224	3	5	8	C[C@H](O)C[N@H+](Cc1nc(Cc2ccccc2)no1)[C@H](C)CO
197593723	ZINC000290094993	ref	5.53	-4.69	0	296.411	1.731	1	3	7	C=CCCN(C)C(=O)C(=O)N[C@H]1C[C@H](OC)C1(CC)CC
342596226	ZINC000616976165	ref	8.58	-12.99	0	250.346	1.488	0	4	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2nncn2C1
219048072	ZINC000350683616	low	4.37	-42.98	1	298.333	2.018	3	2	4	CC(=O)NCC1CC[NH+](Cc2c(F)ccc(O)c2F)CC1
219048074	ZINC000350683616	high	2.78	-47.27	-1	298.333	2.018	1	3	4	CC(=O)NCC1CCN(Cc2c(F)ccc([O-])c2F)CC1
219048077	ZINC000350684337	ref	7.43	-11.81	0	292.379	2.429	2	3	5	CCOC(=O)C1CCC(NC(=O)c2cc[nH]c2CC)CC1
178302742	ZINC000237217028	ref	9.19	-65.25	1	373.497	1.762	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)C2CCN(C(=O)COc3ccccc3)CC2)C1
342596227	ZINC000616969445	ref	2.68	-21.21	0	286.303	1.062	2	3	4	O=C(CSc1ccc(F)c(F)c1)N[C@H]1CCNC1=O
219048085	ZINC000350686558	ref	5.41	-11.76	0	293.326	3.139	2	4	3	Cc1ccc(O)c(NC(=O)c2ccnn2-c2ccccc2)c1
342596228	ZINC000616969727	ref	3.23	-20.41	0	276.336	1.159	2	3	6	Cc1ccccc1OCCCC(=O)N[C@@H]1CCNC1=O
342596229	ZINC000616969281	ref	0.63	-26.25	0	290.348	1.065	3	4	3	Cc1nc(-c2c[nH]c(C(=O)N[C@@H]3CCNC3=O)c2)cs1
342596230	ZINC000616968776	ref	2.75	-18.93	0	296.754	1.286	2	3	5	COc1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1Cl
365637019	ZINC000123396108	low	7.58	-113.93	2	252.402	2.043	2	1	6	C[C@@H](CC[NH+]1CCOCC1)[NH2+]C[C@@H]1CC=CCC1
365637023	ZINC000123343448	ref	6.36	-18.05	0	284.31	2.055	1	4	2	O=C(N[C@@H]1CCCn2ncnc21)C1CCC(F)(F)CC1
343994024	ZINC000599270325	low	8.69	-44.95	1	289.397	1.31	1	5	7	CCOC(=O)[C@@H]1CSCC[N@@H+]1CCCCC(=O)OC
178302743	ZINC000082802964	high	5.33	-8.54	0	296.37	2.911	2	3	4	CCOc1ccccc1NC(=O)[C@H]1CNCc2ccccc21
342079444	ZINC000625305464	ref	4.78	-15.46	0	272.308	1.257	1	5	1	Cc1cccc(O)c1C(=O)N1CCn2c(C)nnc2C1
343994026	ZINC000599270325	low	9.06	-44.34	1	289.397	1.31	1	5	7	CCOC(=O)[C@@H]1CSCC[N@H+]1CCCCC(=O)OC
342079445	ZINC000625305464	high	5.55	-57.0	-1	272.308	1.257	0	5	1	Cc1cccc([O-])c1C(=O)N1CCn2c(C)nnc2C1
365637030	ZINC000123366186	ref	6.62	-47.5	1	297.362	2.499	2	5	5	Cc1ccc([C@@H](CNc2cnc(C#N)cn2)[NH+]2CCCC2)o1
199273072	ZINC000294962438	ref	2.55	-17.41	0	290.367	0.914	3	4	6	C[C@@H]1CC(=O)N[C@H](C(=O)NCCCNc2ccccn2)C1
365637035	ZINC000123366186	high	4.56	-8.29	0	297.362	2.499	1	6	5	Cc1ccc([C@@H](CNc2cnc(C#N)cn2)N2CCCC2)o1
365637040	ZINC000123414592	ref	3.53	-10.0	0	279.384	2.016	2	4	5	C[C@H](CCO)NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
365637047	ZINC000123393307	ref	6.82	-10.91	0	251.351	2.2	0	3	1	C[C@H]1CC[C@@H](C(=O)N2CCc3ccsc3C2)O1
214186606	ZINC000293595020	ref	2.83	-19.68	0	363.443	0.938	2	5	7	COCc1ccccc1NC(=O)C(=O)NCCCC1N=NC(=S)N1C
365637054	ZINC000123335893	ref	6.25	-7.63	0	279.384	2.384	1	3	5	CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cc(C)n[nH]1
365637060	ZINC000123335893	mid	6.42	-9.56	0	279.384	2.384	1	3	5	CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cc(C)[nH]n1
214186610	ZINC000293588928	ref	2.27	-10.55	0	366.483	0.923	0	5	5	CN(Cc1ccccc1)C1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1
365637062	ZINC000123302688	ref	5.74	-20.47	0	292.379	2.453	1	3	5	CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1ccc[nH]c1=O
365637068	ZINC000123351327	ref	3.96	-10.59	0	284.157	2.104	1	3	4	C=C(Br)CNc1ccc(C(=O)N(C)C)cn1
365637075	ZINC000123407238	ref	7.6	-15.2	0	289.331	2.062	0	4	2	Cc1ccc2c(c1)N(C(=O)C[C@@H]1COC(=O)C1)C[C@@H](C)O2
365637080	ZINC000123331400	ref	5.03	-9.69	0	291.401	2.171	1	5	2	O=C1NC(=S)S/C1=C\c1ccc(N2CCCC2)nc1
349535002	ZINC000594970034	ref	5.41	-54.2	1	298.477	2.8	1	3	5	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2scnc2C2CC2)C1
365637084	ZINC000123331400	mid	3.9	-39.87	-1	291.401	2.171	0	5	2	O=C1[N-]C(=S)S/C1=C\c1ccc(N2CCCC2)nc1
214186611	ZINC000053510062	low	11.48	-41.82	1	326.444	2.938	1	2	6	O=C(NCCCn1cc[nH+]c1)N1CCC(Cc2ccccc2)CC1
214186615	ZINC000053496086	ref	6.22	-36.01	1	347.322	3.1	1	3	7	C[C@H](C[NH2+]C[C@H]1CCCO1)N(C)Cc1cc(Br)cs1
342596231	ZINC000616968882	ref	2.97	-17.77	0	264.35	1.245	2	3	2	O=C(N[C@@H]1CCNC1=O)c1csc2c1CCCC2
342596232	ZINC000616969688	ref	4.78	-17.9	0	274.364	1.432	2	2	5	CC(C)Cc1ccc(CC(=O)N[C@@H]2CCNC2=O)cc1
342596233	ZINC000616969112	ref	4.6	-21.14	0	290.363	1.584	2	3	6	CC[C@H](C)c1ccccc1OCC(=O)N[C@@H]1CCNC1=O
342596234	ZINC000616968948	ref	3.39	-17.8	0	282.34	1.313	2	3	5	O=C(CCSc1ccccc1F)N[C@@H]1CCNC1=O
342596235	ZINC000616969185	ref	2.55	-20.86	0	287.294	1.301	2	3	2	Cc1nc2cc(F)ccc2cc1C(=O)N[C@@H]1CCNC1=O
342596236	ZINC000616969565	ref	5.1	-17.99	0	274.364	1.576	2	2	6	CCCCc1ccc(CC(=O)N[C@@H]2CCNC2=O)cc1
342596237	ZINC000616976164	ref	8.41	-12.85	0	250.346	1.488	0	4	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2nncn2C1
342596238	ZINC000616968848	ref	4.01	-17.03	0	280.755	1.586	2	2	4	Cc1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1Cl
349535004	ZINC000594970034	high	4.24	-14.38	0	298.477	2.8	1	4	5	C[S@](=O)[C@H]1CCC[C@@H](NCc2scnc2C2CC2)C1
349535008	ZINC000594969420	ref	4.95	-8.08	0	286.331	2.637	1	5	7	COC[C@H](NCc1ccc(C#N)o1)c1cccc(OC)c1
349535012	ZINC000594969420	mid	6.18	-50.68	1	286.331	2.637	1	4	7	COC[C@H]([NH2+]Cc1ccc(C#N)o1)c1cccc(OC)c1
349535016	ZINC000594969272	ref	5.79	-52.52	1	297.468	2.552	1	3	5	Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
349535020	ZINC000594969272	high	4.59	-15.17	0	297.468	2.552	1	4	5	Cc1nn(C(C)C)cc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1
398245421	ZINC000649440630	ref	5.07	-6.82	0	226.279	1.993	1	3	1	O[C@@H]1CCc2cc(-c3cncnc3)ccc2C1
349535024	ZINC000594969914	ref	6.29	-53.46	1	298.308	2.828	2	2	5	C[C@H]([NH2+]Cc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1
349535028	ZINC000594969914	high	5.47	-7.66	0	298.308	2.828	2	3	5	C[C@H](NCc1ccc(C#N)cc1C(F)(F)F)C1(CO)CC1
349535033	ZINC000594969055	ref	8.95	-56.7	1	298.386	2.565	1	3	6	COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCc1ccnc2ccccc12
349535038	ZINC000594969083	ref	7.71	-53.75	1	264.325	2.56	1	3	6	CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1
349535039	ZINC000594969083	high	6.37	-6.71	0	264.325	2.56	1	4	6	CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2C)C1
229488477	ZINC000310070842	ref	8.19	-37.51	1	233.355	3.364	1	1	6	CCCOc1cccc(C[NH2+][C@H]2CC[C@@H]2C)c1
230730849	ZINC000450410722	ref	3.83	-9.81	0	323.389	1.186	2	5	8	COc1ccc(OC)c(CN(CCO)C(=O)[C@H](O)C2CCC2)c1
185089028	ZINC000096075207	ref	4.89	-32.02	1	289.423	2.541	1	3	4	CC[N@@H+]1CCCC12CCN(Cc1cccnc1OC)CC2
365637025	ZINC000617437225	ref	4.69	-18.96	0	260.301	0.93	1	6	3	CCn1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)cn1
178302747	ZINC000237206697	ref	6.21	-43.18	1	368.275	1.742	1	3	4	CN(C(=O)CCn1cc(Br)ccc1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365637031	ZINC000617437058	ref	3.87	-16.66	0	263.345	0.884	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCN2C)c2ncnn21
365637034	ZINC000617437058	mid	5.92	-43.72	1	263.345	0.884	2	4	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)c2ncnn21
365637037	ZINC000617437058	mid	6.09	-42.33	1	263.345	0.884	2	4	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)c2ncnn21
365637041	ZINC000617438042	ref	6.57	-45.99	1	265.361	0.986	2	4	4	CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)[NH+](C)C
365637044	ZINC000617438042	high	4.68	-15.84	0	265.361	0.986	1	5	4	CC(C)[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)N(C)C
342596239	ZINC000616969023	ref	4.78	-16.27	0	290.338	1.642	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2ccc(F)cc2)CCCC1
230730871	ZINC000450409178	ref	0.16	-8.92	0	318.377	1.413	1	7	6	Cc1cncc(-c2nc(CN3CCC[C@H](OCCO)C3)no2)c1
342596240	ZINC000616968877	ref	3.59	-15.42	0	250.342	1.23	2	2	3	CC(C)=C[C@@H]1[C@H](C(=O)N[C@H]2CCNC2=O)C1(C)C
230730875	ZINC000450409178	low	2.73	-37.45	1	318.377	1.413	2	6	6	Cc1cncc(-c2nc(C[N@@H+]3CCC[C@H](OCCO)C3)no2)c1
230730877	ZINC000450409178	low	2.74	-36.28	1	318.377	1.413	2	6	6	Cc1cncc(-c2nc(C[N@H+]3CCC[C@H](OCCO)C3)no2)c1
365637049	ZINC000617437226	ref	4.68	-18.63	0	260.301	0.93	1	6	3	CCn1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)cn1
178302751	ZINC000237214086	ref	8.9	-81.71	0	367.449	1.99	2	4	6	C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1
282122842	ZINC000449154391	high	6.37	-10.78	0	281.377	2.001	1	5	6	COC(=O)COC[C@H](C)N[C@H]1CSc2ccccc21
299072243	ZINC000459273969	ref	8.57	-13.3	0	318.396	2.893	1	3	5	C[C@@H](Cc1cccc(F)c1)N(C)C(=O)N[C@H](C)c1ccn(C)n1
342596241	ZINC000616968934	ref	1.28	-22.86	0	299.33	1.197	2	4	4	Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H]1CCNC1=O
197593742	ZINC000162813542	ref	5.64	-41.05	1	304.619	2.909	2	2	3	Clc1cnc(NC[C@@H]2CCC[NH2+]C2)c(Br)c1
365637052	ZINC000617436246	ref	2.79	-23.64	0	294.359	0.627	3	5	6	CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
199273074	ZINC000294962438	low	3.03	-44.66	1	290.367	0.914	3	3	6	C[C@@H]1CC(=O)N[C@H](C(=O)NCCCNc2cccc[nH+]2)C1
199273076	ZINC000294963946	ref	7.51	-6.5	0	256.349	3.06	1	3	6	CO[C@H](CNc1cccc(C)n1)Cc1ccccc1
178302748	ZINC000082802965	ref	5.31	-51.69	1	298.39	1.54	2	3	3	Cc1nn(C)c(C)c1CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21
214186614	ZINC000293588928	low	4.83	-50.24	1	366.483	0.923	1	4	5	C[N@H+](Cc1ccccc1)C1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1
214186618	ZINC000293588928	low	4.81	-50.26	1	366.483	0.923	1	4	5	C[N@@H+](Cc1ccccc1)C1CN(C(=O)C2(S(C)(=O)=O)CCOCC2)C1
214186620	ZINC000293594665	ref	1.13	-28.97	0	371.484	0.37	1	5	6	CN(C(=O)c1ccccc1SCC(N)=O)[C@H]1CCN(S(C)(=O)=O)C1
214186621	ZINC000293600025	ref	2.57	-16.71	0	372.429	0.966	3	7	5	CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)c1
214186623	ZINC000293595062	ref	4.25	-49.47	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1
178302749	ZINC000082802965	high	3.84	-11.59	0	298.39	1.54	2	4	3	Cc1nn(C)c(C)c1CNC(=O)[C@@H]1CNCc2ccccc21
342079446	ZINC000625304732	ref	7.39	-15.82	0	299.359	1.852	0	6	1	Cc1nnc2n1CCN(C(=O)c1nccc3ccsc13)C2
214186626	ZINC000293595062	mid	4.7	-55.54	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1
342079447	ZINC000625304145	ref	0.61	-9.09	0	255.318	1.005	0	6	6	Cc1nc(CN(C)CCOC2CCOCC2)no1
214186628	ZINC000293595062	high	2.46	-15.74	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1
214186630	ZINC000293592003	ref	5.17	-66.36	1	350.444	0.038	1	4	1	C[N@@H+]1CC[C@@]2(CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)C1
342079448	ZINC000625304915	ref	1.4	-40.79	1	271.401	1.447	3	3	7	CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCOCC1
342079449	ZINC000625304747	ref	7.92	-21.22	0	273.34	1.079	0	5	4	Cc1cncn1CC(=O)N1CCC[C@H]1Cn1cccn1
349535006	ZINC000093260277	ref	3.72	-8.96	0	265.313	0.823	1	4	5	CCOCCN(C)C(=O)C(=O)Nc1ccc(C)nc1
349535011	ZINC000093285685	ref	4.66	-11.77	0	271.361	0.675	1	3	6	CCC(CC)NC(=O)N1CCN(CCOC)C(=O)C1
178302761	ZINC000082802909	ref	4.55	-56.32	1	274.349	1.672	2	4	2	Cc1nnc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)s1
178302763	ZINC000082802909	high	3.14	-16.78	0	274.349	1.672	2	5	2	Cc1nnc(NC(=O)[C@@H]2CNCc3ccccc32)s1
282122845	ZINC000449153441	ref	4.51	-39.6	1	284.444	2.031	1	3	5	COC1CCN(C(C)(C)C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1
214186625	ZINC000278488489	ref	6.96	-10.35	0	310.397	3.037	1	3	5	COCc1ccc(C(=O)NCc2ccc3c(n2)CCCC3)cc1
214186627	ZINC000278487236	ref	0.58	-8.96	0	318.446	1.909	1	6	5	C[C@@H](O)c1ncc(CN2CCN(Cc3ccncc3)CC2)s1
214186629	ZINC000278487236	low	2.89	-44.04	1	318.446	1.909	2	5	5	C[C@@H](O)c1ncc(CN2CC[NH+](Cc3ccncc3)CC2)s1
214186631	ZINC000278487236	low	3.11	-43.79	1	318.446	1.909	2	5	5	C[C@@H](O)c1ncc(C[NH+]2CCN(Cc3ccncc3)CC2)s1
342596242	ZINC000616969703	ref	3.28	-19.81	0	264.35	1.417	2	3	4	CCSc1ccccc1C(=O)N[C@H]1CCNC1=O
214186634	ZINC000278487120	ref	4.57	-5.53	0	319.283	2.972	2	5	4	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@H]1CCCC[C@H]1O
282122849	ZINC000449153441	low	6.42	-118.33	2	284.444	2.031	2	2	5	COC1CC[NH+](C(C)(C)C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)CC1
342596243	ZINC000616969446	ref	2.67	-21.19	0	286.303	1.062	2	3	4	O=C(CSc1ccc(F)c(F)c1)N[C@@H]1CCNC1=O
214186637	ZINC000278488222	ref	7.99	-9.95	0	319.296	1.967	0	7	4	O=[N+]([O-])c1cnc(N2CCC(Oc3ncccc3F)CC2)nc1
282122854	ZINC000449153455	ref	4.49	-41.88	1	264.394	2.007	2	2	4	Cc1ccccc1[C@H]([NH3+])C(=O)NC[C@@H]1CCCS1
197593746	ZINC000290096192	ref	5.46	-9.05	0	276.258	2.722	0	4	4	C[C@@H]1C(=O)CC[C@@H]1Cc1nc(CCC(F)(F)F)no1
214186640	ZINC000278487794	ref	5.58	-9.23	0	306.318	2.039	2	6	5	COC(=O)c1cc([N+](=O)[O-])c(C)cc1N[C@@H]1C=C[C@H](CO)C1
349535015	ZINC000093282419	ref	5.02	-35.47	1	256.346	0.644	2	3	4	CNC(=O)C[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1
349535019	ZINC000093282419	mid	4.59	-37.24	1	256.346	0.644	2	3	4	CNC(=O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1
398245422	ZINC000649443648	ref	6.59	-7.29	0	233.34	2.903	0	4	3	CCSc1ccc(-c2cnn(C)c2C)cn1
197593748	ZINC000290095072	ref	3.5	-6.62	0	271.36	3.018	3	3	5	CC(C)(O)c1ccc(CNc2ccccc2CO)cc1
214186643	ZINC000278488479	ref	8.79	-12.56	0	304.434	3.424	0	2	6	CC(=O)N(C)c1ccc(C(=O)N(CC(C)C)CC(C)C)cc1
342596244	ZINC000616968841	ref	3.41	-16.33	0	266.728	1.277	2	2	4	O=C(CCc1ccc(Cl)cc1)N[C@@H]1CCNC1=O
349535023	ZINC000093282419	mid	2.87	-9.33	0	256.346	0.644	1	4	4	CNC(=O)CN1CCC[C@H](C(C)(C)C(=O)OC)C1
342596245	ZINC000616968774	ref	1.25	-16.75	0	293.373	1.49	2	5	3	O=C(N[C@H]1CCNC1=O)c1csc(-c2cccs2)n1
197593751	ZINC000290096293	ref	8.86	-15.11	0	296.37	2.563	1	3	5	C#Cc1ccccc1CC(=O)N[C@H](C)Cc1c(C)noc1C
365637033	ZINC000641604287	ref	2.2	-17.0	0	274.324	1.115	3	5	4	O=c1[nH]cnc2ccc(N[C@H](CO)C3CCCC3)nc12
178302754	ZINC000237214086	mid	8.84	-83.92	0	367.449	1.99	2	4	6	CN1CC[NH+](Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1
214186632	ZINC000293592003	mid	5.19	-66.02	1	350.444	0.038	1	4	1	C[N@H+]1CC[C@@]2(CCN(C(=O)C3=CN4CCS(=O)(=O)N=C4C=C3)C2)C1
214186635	ZINC000293598289	ref	4.73	-16.56	0	374.441	0.541	1	5	4	COC[C@H]1CCN1C(=O)C(=O)Nc1cccc(N2CCN(C(C)=O)CC2)c1
214186641	ZINC000293594663	ref	1.19	-25.7	0	371.484	0.37	1	5	6	CN(C(=O)c1ccccc1SCC(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1
214186644	ZINC000293594652	ref	2.7	-23.64	0	356.444	0.818	0	5	7	COCCOc1cccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1
365637038	ZINC000641604796	ref	3.57	-45.57	1	292.445	1.205	2	3	8	C[C@H](CCNS(=O)(=O)CC[C@H]1CCCCO1)[NH+](C)C
185089030	ZINC000096075207	mid	4.9	-32.22	1	289.423	2.541	1	3	4	CC[N@H+]1CCCC12CCN(Cc1cccnc1OC)CC2
178302757	ZINC000237214086	mid	6.59	-58.92	-1	367.449	1.99	1	5	6	CN1CCN(Cc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)cc2)CC1
365637043	ZINC000641604702	ref	2.95	-4.25	0	280.343	1.977	1	4	2	O[C@@H]1CCCC[C@@H]1[C@@H]1COCCN1c1ccncc1F
365637046	ZINC000641604702	low	3.42	-39.69	1	280.343	1.977	1	3	2	O[C@@H]1CCCC[C@@H]1[C@@H]1COCCN1c1cc[nH+]cc1F
365637050	ZINC000641604486	ref	3.62	-19.9	0	294.376	1.222	0	5	1	C[C@H]1CN(c2ccc3c(n2)C(=O)CC3)C[C@@H](C)S1(=O)=O
365637053	ZINC000641604643	ref	5.05	-42.4	1	288.457	1.969	2	2	4	CC1(CS(=O)(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC1
365637056	ZINC000641604643	mid	5.01	-42.23	1	288.457	1.969	2	2	4	CC1(CS(=O)(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC1
365637058	ZINC000641604643	high	2.67	-8.78	0	288.457	1.969	1	3	4	CC1(CS(=O)(=O)N[C@@H]2CCN(C(C)(C)C)C2)CCC1
365637061	ZINC000641604724	ref	3.08	-16.79	0	287.294	1.423	2	3	2	O=C(c1c[nH]nc1-c1ccccc1F)N1C[C@H]2C[C@@]2(O)C1
365637065	ZINC000641604724	mid	2.83	-15.14	0	287.294	1.423	2	3	2	O=C(c1cn[nH]c1-c1ccccc1F)N1C[C@H]2C[C@@]2(O)C1
398245424	ZINC000650857293	high	1.88	-9.25	0	283.416	1.416	2	3	3	C[C@H]1CCC[C@H](C)N1CCNC(=O)N1CCC[C@@H](O)C1
365637069	ZINC000641604716	ref	2.71	-48.56	-1	271.675	1.391	1	3	1	O=C(c1cc(F)cc(Cl)c1[O-])N1C[C@@H]2C[C@]2(O)C1
365637072	ZINC000641604716	low	1.75	-10.08	0	271.675	1.391	2	3	1	O=C(c1cc(F)cc(Cl)c1O)N1C[C@@H]2C[C@]2(O)C1
365637076	ZINC000641604239	ref	2.71	-9.93	0	289.397	1.185	1	4	5	COCC1(NS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)CCCC1
214186633	ZINC000053513522	ref	10.91	-41.78	1	329.488	3.339	2	1	3	C[C@H]1C[C@H](C)CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1
299072246	ZINC000354601689	ref	5.4	-16.55	0	337.405	0.795	1	6	6	CCn1cnnc1-c1ccccc1NC(=O)CN(C)S(C)(=O)=O
214186638	ZINC000053513522	high	8.55	-7.72	0	329.488	3.339	1	2	3	C[C@H]1C[C@H](C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
214186642	ZINC000053518002	ref	7.92	-13.27	0	341.411	2.38	1	3	5	O=C(NCCCc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
214186647	ZINC000053510706	ref	5.02	-17.83	0	332.404	1.713	2	4	5	COCCCNC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
214186651	ZINC000053506321	ref	2.35	-14.37	0	338.383	0.738	2	4	6	COCCNC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
178302758	ZINC000237223251	ref	2.46	-51.25	1	350.459	1.879	3	4	8	COc1cc(OC)cc([C@H](O)CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)c1
178302762	ZINC000237210122	ref	5.51	-47.38	1	353.85	1.725	2	4	4	COc1cc(N)c(Cl)cc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1
214186657	ZINC000053514087	ref	5.97	-11.67	0	348.834	2.664	1	4	4	Cc1cc(CN2CCN(C(=O)NCc3ccccc3Cl)CC2)no1
178302764	ZINC000237210122	mid	3.05	-11.25	0	353.85	1.725	1	5	4	COc1cc(N)c(Cl)cc1C(=O)N1CCN(C[C@@H]2CCOC2)CC1
214190447	ZINC000053604343	low	1.99	-45.0	1	332.429	1.605	3	4	7	CC(C)[N@@H+](CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
214190451	ZINC000053600625	ref	5.24	-12.27	0	345.468	2.598	2	5	7	CSc1nc(C)c(CCC(=O)NC[C@@H](O)c2ccccc2)c(C)n1
342596246	ZINC000616969235	ref	2.01	-18.98	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(Cl)ccc1F
214190456	ZINC000053597796	ref	10.8	-16.41	0	347.484	3.2	0	5	5	CCc1cc2c(=O)n(CC(=O)N(C(C)C)C3CCCC3)cnc2s1
398245426	ZINC000650858484	ref	0.8	-10.16	0	253.302	1.383	1	4	3	CC[C@@H]1CN(C(=O)NCc2cocn2)[C@@H](C)CO1
214190460	ZINC000053605308	ref	4.26	-7.31	0	342.443	2.664	0	6	7	CCOc1ccc(CN2CCN(Cc3noc(C4CC4)n3)CC2)cc1
214190464	ZINC000053605308	mid	6.69	-41.91	1	342.443	2.664	1	5	7	CCOc1ccc(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)cc1
178302769	ZINC000237201856	ref	6.22	-65.01	1	359.47	1.99	2	3	5	COc1ccc(C)cc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1=O
398245430	ZINC000650858261	ref	6.78	-15.43	0	299.325	1.726	1	4	2	C[C@@H](NC(=O)N1CCCC(F)(F)C1)c1nnc2n1CCC2
178305417	ZINC000120143604	ref	7.6	-11.05	0	246.31	2.416	0	4	3	Cc1cc2ncn(CCC3OCCO3)c2cc1C
230730878	ZINC000425462557	ref	5.29	-12.59	0	305.426	2.48	2	4	8	C=CCn1cc(CNC(=O)NCC2(CC(C)C)CCC2)nn1
365637057	ZINC000617438163	ref	1.62	-15.98	0	259.273	0.086	2	7	2	C[C@@H]1C[C@@H](NC(=O)c2nccnc2N)c2ncnn21
365637063	ZINC000617435485	ref	4.99	-22.19	0	282.344	0.842	1	6	7	CCOCCO[C@H](C)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365637066	ZINC000617436234	ref	5.82	-45.19	1	251.334	0.742	2	4	5	CC[NH+](CC)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365637070	ZINC000617436234	high	3.82	-16.74	0	251.334	0.742	1	5	5	CCN(CC)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365637073	ZINC000617438669	ref	4.16	-18.28	0	269.345	0.429	1	3	4	CN(C[C@@H]1CCCCO1)C(=O)CN1CCCNC1=O
365637077	ZINC000617438096	ref	4.52	-25.44	0	297.322	0.996	1	7	2	C[C@H]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)c2ncnn21
342596247	ZINC000616968842	ref	3.42	-16.26	0	266.728	1.277	2	2	4	O=C(CCc1ccc(Cl)cc1)N[C@H]1CCNC1=O
342596248	ZINC000616968899	ref	3.26	-16.97	0	266.366	1.627	2	3	4	CCCc1cc(C(=O)N[C@H]2CCNC2=O)sc1C
365637082	ZINC000617437703	ref	5.07	-25.71	0	283.295	0.757	1	7	2	C[C@H]1C[C@H](NC(=O)c2nccn3ccnc23)c2ncnn21
365637086	ZINC000617436863	ref	2.91	-14.83	0	283.353	0.941	0	5	7	COCCN(CCC#N)S(=O)(=O)c1ccc(C)nc1
365637091	ZINC000617438376	ref	1.47	-15.3	0	274.284	0.512	1	7	3	COc1ccc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)nn1
342596249	ZINC000616976660	ref	4.68	-13.25	0	251.33	1.926	0	4	4	CC[C@@H](C)N(CC)C(=O)c1cnn2c1OCCC2
342596250	ZINC000616969113	ref	4.6	-21.13	0	290.363	1.584	2	3	6	CC[C@@H](C)c1ccccc1OCC(=O)N[C@H]1CCNC1=O
365637094	ZINC000617435397	ref	7.35	-23.28	0	283.295	0.757	1	7	2	C[C@H]1C[C@@H](NC(=O)c2ccc3nncn3c2)c2ncnn21
282122846	ZINC000248973601	low	2.28	-38.64	1	305.378	1.224	3	5	8	C[C@H](O)C[N@@H+](Cc1nc(Cc2ccccc2)no1)[C@H](C)CO
282122850	ZINC000248973632	ref	3.4	-13.54	0	316.357	1.672	1	5	2	CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C#N)c(O)c3)[C@H]2C1
282122852	ZINC000248973632	mid	4.17	-48.7	-1	316.357	1.672	0	5	2	CO[C@@H]1CC[C@H]2OCCN(C(=O)c3ccc(C#N)c([O-])c3)[C@H]2C1
365637097	ZINC000617438041	ref	6.6	-47.45	1	265.361	0.986	2	4	4	CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)[NH+](C)C
398245427	ZINC000649443769	ref	7.23	-5.36	0	241.334	3.861	1	2	4	CC(C)OCc1ccc(-c2ccc(N)cc2)cc1
259308344	ZINC000322980475	ref	8.24	-38.5	1	249.398	3.585	1	1	8	CC[C@](C)(C[NH2+]CC[C@H](C)c1ccccc1)OC
365637099	ZINC000617438041	high	4.69	-16.68	0	265.361	0.986	1	5	4	CC(C)[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)N(C)C
365637074	ZINC000172915453	mid	6.31	-9.25	0	252.347	1.523	1	6	3	Cn1ncnc1CSc1nc(C(C)(C)C)n[nH]1
365637078	ZINC000172907988	ref	6.87	-8.29	0	273.358	1.415	1	6	7	CCCCOC(=O)[C@H](C)Sc1n[nH]c(=O)n1CC
398245428	ZINC000651429381	ref	6.22	-42.78	1	261.394	3.048	1	3	5	Cc1ncc([C@H](C)[NH2+]CCc2ncccc2C)s1
365637081	ZINC000172908647	ref	7.36	-12.09	0	278.287	1.993	0	6	5	CCCOC(=O)[C@H](C)n1nnc(-c2cccc(F)c2)n1
342596251	ZINC000616968939	ref	2.49	-15.48	0	291.109	1.751	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(F)c(Cl)cc1Cl
365637085	ZINC000172915594	ref	4.76	-7.77	0	265.309	1.829	1	5	6	CCOC(=O)CNc1ccc(O[C@@H]2CCOC2)cc1
178302765	ZINC000082802960	ref	5.97	-47.69	1	296.37	2.198	2	2	4	COc1ccccc1CNC(=O)[C@H]1C[NH2+]Cc2ccccc21
365637089	ZINC000172911854	ref	6.77	-43.59	1	294.443	1.674	2	3	8	CC[NH+](CC)CCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C
365637093	ZINC000643093418	ref	5.47	-8.6	0	290.363	1.921	2	3	4	C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(C)C[C@H](O)C1CC1
214186645	ZINC000278486838	ref	2.18	-9.4	0	309.322	1.037	3	5	4	Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC(C)(C)CO
214186649	ZINC000278488348	ref	4.91	-5.6	0	315.198	2.072	1	5	5	CN(CCO)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-]
214186654	ZINC000278488351	ref	9.27	-23.55	0	321.764	2.05	0	5	3	CN(C(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1nccn1C
178302768	ZINC000082802960	high	4.44	-9.49	0	296.37	2.198	2	3	4	COc1ccccc1CNC(=O)[C@H]1CNCc2ccccc21
342596252	ZINC000616969149	ref	1.93	-18.24	0	257.293	1.095	3	2	2	Cc1[nH]c2ccccc2c1C(=O)N[C@H]1CCNC1=O
398245432	ZINC000651429381	high	5.05	-6.55	0	261.394	3.048	1	4	5	Cc1ncc([C@H](C)NCCc2ncccc2C)s1
178302770	ZINC000082802936	ref	1.93	-49.53	1	289.379	0.322	2	3	4	O=C(NCCN1CCOCC1)[C@@H]1C[NH2+]Cc2ccccc21
178302772	ZINC000082802936	low	4.36	-99.68	2	289.379	0.322	3	2	4	O=C(NCC[NH+]1CCOCC1)[C@@H]1C[NH2+]Cc2ccccc21
214186658	ZINC000278487837	ref	4.28	-15.94	0	306.757	1.022	1	6	3	Cc1nnc2n1C[C@H](CNC(=O)c1cnc(Cl)cn1)CC2
214186660	ZINC000278487813	ref	5.65	-14.93	0	302.348	1.747	0	6	8	CCOc1ccccc1OS(=O)(=O)CCCOC(C)=O
214186663	ZINC000278488116	ref	0.35	-12.62	0	306.156	1.559	2	4	6	COC[C@](C)(CCO)NC(=O)c1ccoc1Br
178302776	ZINC000082802936	high	0.45	-10.11	0	289.379	0.322	2	4	4	O=C(NCCN1CCOCC1)[C@@H]1CNCc2ccccc21
365637098	ZINC000341003064	ref	-0.48	-11.62	0	298.346	1.811	1	6	4	CC[C@@H]1CN(Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1O
214186648	ZINC000293599076	ref	2.55	-12.4	0	361.143	0.988	0	6	3	Cc1nc(CN(C)C(=O)c2cnn(C)c2I)no1
178302767	ZINC000001566019	ref	6.77	-56.16	-1	205.217	0.973	0	5	2	Cc1cc2nc(CC(=O)[O-])cn2c(C)n1
214186652	ZINC000293595795	ref	1.66	-47.54	1	355.46	0.104	3	4	9	COC[C@H]1CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
214186655	ZINC000293595795	mid	1.69	-48.41	1	355.46	0.104	3	4	9	COC[C@H]1CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
178302771	ZINC000001566019	low	7.08	-36.37	0	205.217	0.973	0	4	2	Cc1cc2[nH+]c(CC(=O)[O-])cn2c(C)n1
398245431	ZINC000649440737	ref	6.4	-3.5	0	233.355	3.161	1	2	3	C[C@H]1CCCN(CC[C@@H](C)O)c2ccccc21
214186659	ZINC000293595795	high	-1.56	-17.01	0	355.46	0.104	2	5	9	COC[C@H]1CCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
398245434	ZINC000649440654	ref	8.03	-40.95	1	241.338	2.435	2	2	4	C[NH+](C)CCc1ccc(-c2cccnc2N)cc1
214186662	ZINC000293597049	ref	5.29	-32.58	0	369.487	0.738	0	5	6	Cc1cc(=O)cc(C)n1CCCC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1
398245436	ZINC000649440654	low	8.49	-75.57	2	241.338	2.435	2	1	4	C[NH+](C)CCc1ccc(-c2ccc[nH+]c2N)cc1
214186664	ZINC000293586687	ref	3.69	-11.84	0	360.422	0.285	0	8	4	CCn1ncc(C(=O)N2C[C@H](C)N(C(=O)c3cnn(CC)n3)[C@H](C)C2)n1
214186667	ZINC000293587363	ref	3.67	-9.51	0	352.391	0.611	2	7	6	CCOC1(CNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)CCCC1
214186670	ZINC000293591093	ref	3.02	-14.89	0	362.43	0.604	3	4	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N(C)C)C(C)C
214186673	ZINC000293596804	ref	3.28	-30.05	0	367.427	0.749	0	5	4	CN(C(=O)c1ccc(N2CCOC2=O)cc1)[C@H]1CCN(S(C)(=O)=O)C1
398245439	ZINC000649443578	ref	4.2	-8.42	0	216.284	2.196	1	3	2	Cc1c(CO)cccc1-c1cnn(C)c1C
214186676	ZINC000293597042	ref	5.23	-38.18	0	369.487	0.738	0	5	6	Cc1cc(=O)cc(C)n1CCCC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
214186680	ZINC000293586829	ref	0.35	-11.68	0	370.203	0.773	3	5	6	COCC[C@H](CO)NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1
214186683	ZINC000293585604	ref	0.52	-17.19	0	357.472	0.734	1	6	9	COCCc1ccc(OC[C@H](O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1
349536138	ZINC000602431334	ref	8.96	-47.07	1	246.354	3.067	1	2	7	COc1cccc(C[N@H+](C)C[C@H](C)CCC#N)c1
178302793	ZINC000051847836	ref	5.79	-53.17	-1	204.229	1.807	1	3	2	Cc1cc2nc(CC(=O)[O-])[nH]c2cc1C
178302800	ZINC000051847836	low	6.03	-31.19	0	204.229	1.807	1	2	2	Cc1cc2[nH]c(CC(=O)[O-])[nH+]c2cc1C
185089032	ZINC000096075985	ref	7.06	-40.7	1	274.368	1.55	1	4	4	COc1cc(N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)ncn1
290622681	ZINC000334169413	ref	3.78	-8.4	0	274.242	2.334	2	2	2	C[C@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
290622687	ZINC000344274942	ref	4.91	-13.5	0	289.379	1.986	2	2	4	C[C@H]1CC[C@@H]1NC(=O)NCc1ccc(C(=O)N(C)C)cc1
178302773	ZINC000237212020	ref	4.78	-45.21	1	361.486	1.714	2	3	8	COCCCNC(=O)C1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1
214186665	ZINC000278487109	ref	4.45	-5.52	0	319.283	2.972	2	5	4	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NC[C@@H]1CCCC[C@H]1O
230730901	ZINC000414305987	ref	8.45	-18.57	0	319.47	3.193	1	2	7	O=C(C[S@](=O)CC1CC1)N[C@H](c1ccccc1)C1CCCC1
230730904	ZINC000414306324	ref	6.25	-12.77	0	313.401	3.263	1	5	6	Cc1ccc(NCc2ccc(C)nn2)c(OC[C@@H]2CCCO2)c1
178302774	ZINC000237212020	high	4.46	-13.09	0	361.486	1.714	2	4	8	COCCCNC(=O)C1CCN(C(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1
365637079	ZINC000641603931	ref	1.45	-12.27	0	282.365	1.447	1	5	4	CCO[C@H](C)c1ncc(C(=O)N2C[C@H]3C[C@@]3(O)C2)s1
365637083	ZINC000641604818	ref	3.31	-12.4	0	253.314	1.773	1	2	6	C=CCCNS(=O)(=O)C[C@H]1C(C)(C)C1(F)F
365637088	ZINC000641604197	ref	3.82	-9.07	0	265.325	1.894	1	2	4	C[C@]1(CS(=O)(=O)N[C@]23CCC[C@H]2C3)CC1(F)F
365637092	ZINC000641604352	ref	3.0	-9.25	0	278.743	1.875	1	5	3	OCc1ccnc(N2CC[C@@H](n3cc(Cl)cn3)C2)c1
365637095	ZINC000641604352	low	3.06	-35.5	1	278.743	1.875	1	4	3	OCc1cc[nH+]c(N2CC[C@@H](n3cc(Cl)cn3)C2)c1
282122847	ZINC000329260458	ref	4.38	-44.1	1	338.408	-0.3	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCO1
282122863	ZINC000329260458	high	1.82	-15.44	0	338.408	-0.3	1	5	5	CN(C)C[C@@H]1CN(C(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CCO1
282122869	ZINC000176608419	ref	7.83	-37.14	1	282.428	2.136	1	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CC2CCCCCC2)CCO1
178302775	ZINC000237201901	ref	4.24	-47.13	1	367.515	1.835	2	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)C1
178302778	ZINC000237203253	ref	3.47	-49.44	1	366.27	1.046	1	3	4	C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
178302782	ZINC000237203253	high	2.03	-12.25	0	366.27	1.046	1	4	4	CNCC(=O)N1CCN(S(=O)(=O)c2cc(Cl)ccc2Cl)CC1
365637100	ZINC000641604798	ref	3.58	-41.57	1	292.445	1.205	2	3	8	C[C@@H](CCNS(=O)(=O)CC[C@H]1CCCCO1)[NH+](C)C
290622697	ZINC000334652630	ref	4.96	-6.87	0	258.243	2.629	1	2	2	C[C@H]1CC[C@@H]1NC(=O)c1cccc(C(F)(F)F)n1
342079450	ZINC000625304747	mid	8.43	-42.23	1	273.34	1.079	0	4	4	Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1Cn1cccn1
214186668	ZINC000278487043	ref	2.39	-16.01	0	309.387	1.666	2	4	6	Cc1cc(S(=O)(=O)CCO)ccc1NC(=O)/C=C/C1CC1
342079451	ZINC000608861766	ref	7.38	-22.37	0	289.335	1.253	1	5	5	COC(=O)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2n1
342079452	ZINC000608861766	low	7.67	-32.84	1	289.335	1.253	1	4	5	COC(=O)C[C@H](C)NC(=O)Cc1cn2cccc(C)c2[nH+]1
290622683	ZINC000492523056	ref	4.9	-10.13	0	258.321	2.328	1	3	4	COc1cncc(/C=C/C(=O)N[C@@H]2C=CCCC2)c1
214186675	ZINC000278487614	ref	5.58	-5.39	0	314.252	2.919	0	4	5	CN(CCc1cccs1)Cc1c(Br)cnn1C
365637087	ZINC000123331400	low	5.06	-46.88	1	291.401	2.171	1	4	2	O=C1NC(=S)S/C1=C\c1ccc(N2CCCC2)[nH+]c1
214186677	ZINC000278487614	low	7.97	-43.27	1	314.252	2.919	1	3	5	Cn1ncc(Br)c1C[N@H+](C)CCc1cccs1
214186679	ZINC000278487614	low	7.9	-43.44	1	314.252	2.919	1	3	5	Cn1ncc(Br)c1C[N@@H+](C)CCc1cccs1
365637090	ZINC000123395547	ref	6.76	-10.59	0	251.351	2.058	0	3	1	C[C@@H]1CCO[C@@H]1C(=O)N1CCc2ccsc2C1
214186681	ZINC000278487816	ref	6.07	-14.73	0	320.389	1.625	0	4	3	CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1
214186685	ZINC000278487823	ref	4.72	-18.67	0	307.828	1.928	0	6	5	CCS(=O)(=O)C[C@H](C)N(C)c1nc(Cl)c(C#N)s1
365637096	ZINC000123383715	ref	4.56	-44.53	1	259.328	2.297	1	2	3	[NH3+]C[C@H]1CCCN1Cc1cc(F)cc2cccnc12
214186686	ZINC000278488810	ref	6.48	-44.02	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C
214186689	ZINC000278488810	mid	6.25	-44.18	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C
178302786	ZINC000082802913	ref	8.0	-52.99	1	278.355	2.463	1	1	1	O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCc2ccccc21
214186691	ZINC000278488810	mid	3.83	-10.02	0	319.449	1.634	2	3	5	Cc1ccccc1CCNC(=O)N1CCN(C[C@@H](C)O)C[C@@H]1C
365637102	ZINC000123383715	low	6.59	-114.05	2	259.328	2.297	2	1	3	[NH3+]C[C@H]1CCC[N@@H+]1Cc1cc(F)cc2cccnc12
365637106	ZINC000123383715	low	6.22	-117.33	2	259.328	2.297	2	1	3	[NH3+]C[C@H]1CCC[N@H+]1Cc1cc(F)cc2cccnc12
214186694	ZINC000278487463	ref	9.48	-44.6	1	309.45	3.467	2	2	5	O[C@H](C[C@H]1CCC[N@@H+]1C[C@H]1CCSC1)c1ccc(F)cc1
178302790	ZINC000082802913	high	7.0	-11.87	0	278.355	2.463	1	2	1	O=C([C@@H]1CNCc2ccccc21)N1CCc2ccccc21
178302785	ZINC000237212896	ref	4.5	-49.51	1	354.472	1.968	2	4	6	COC(=O)c1ccc(C)c(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1
365637101	ZINC000617436176	ref	5.4	-17.04	0	274.328	0.995	1	6	4	Cc1cnn(CCC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1
230730919	ZINC000450407628	ref	2.41	-15.8	0	305.469	1.916	0	6	7	CCN(Cc1nnc(C(C)C)s1)[C@H](C)CS(C)(=O)=O
282122848	ZINC000151665219	low	7.04	-112.12	2	307.404	2.477	2	1	6	CC[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1
282122855	ZINC000151671679	ref	6.99	-16.56	0	303.406	2.089	1	3	6	CCN(Cc1cccc(NCC(=O)N2CCCC2)c1)C(C)=O
349535027	ZINC000093274315	ref	-0.07	-9.91	0	276.344	0.429	0	7	4	Cc1nc(CN2CCN(Cc3ccnn3C)CC2)no1
282122866	ZINC000151667205	ref	3.51	-15.15	0	313.442	2.021	2	3	7	CC(C)(C)OC1CCN(C(=O)CCCCCNC(N)=O)CC1
365637104	ZINC000617436761	ref	4.55	-23.44	0	280.328	0.596	1	6	5	C[C@@H]1C[C@H](NC(=O)COC[C@@H]2CCCO2)c2ncnn21
365637108	ZINC000617438470	ref	1.22	-13.21	0	265.313	0.755	2	3	4	CN(C[C@H]1CCCCO1)C(=O)c1c[nH]c(C(N)=O)c1
349535030	ZINC000093274315	low	2.17	-44.25	1	276.344	0.429	1	6	4	Cc1nc(CN2CC[NH+](Cc3ccnn3C)CC2)no1
365637111	ZINC000617437321	ref	3.93	-16.09	0	250.302	0.827	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)c2ncnn21
349535034	ZINC000093288634	ref	4.2	-15.04	0	287.323	0.618	2	5	4	Cn1cnc(CNC(=O)NC[C@@H]2Cc3ccccc3O2)n1
178302789	ZINC000237203907	ref	3.41	-48.52	1	366.27	1.046	1	3	4	C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
178302791	ZINC000237203907	high	1.97	-12.84	0	366.27	1.046	1	4	4	CNCC(=O)N1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1
178302794	ZINC000237210534	ref	5.21	-63.07	1	371.231	1.158	2	4	5	COC(=O)C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1
178302798	ZINC000237210534	mid	3.86	-13.52	0	371.231	1.158	2	5	5	COC(=O)C[C@@H](NC(=O)[C@@H]1CNCCO1)c1ccc(Br)cc1
222608415	ZINC000283735889	ref	4.77	-9.19	0	314.357	1.616	2	3	7	C=CCSCCNC(=O)C(=O)NCc1ccc(F)c(F)c1
365637115	ZINC000617438164	ref	1.61	-16.09	0	259.273	0.086	2	7	2	C[C@@H]1C[C@H](NC(=O)c2nccnc2N)c2ncnn21
178302801	ZINC000237202754	ref	4.21	-49.49	1	356.426	1.21	2	4	9	COCC[NH2+]CC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1
365637117	ZINC000617439189	ref	4.22	-25.52	0	293.371	0.952	2	5	6	CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@@H](C)n2ncnc21
282122873	ZINC000151678020	ref	6.93	-42.06	1	318.421	2.19	2	3	5	O=C(Nc1cccnc1)N1CC[C@H](OCC[NH+]2CCCCC2)C1
398245435	ZINC000650858250	ref	-0.55	-13.41	0	267.329	1.225	2	4	4	C[C@@H](CO)C1CCN(C(=O)NCc2cocn2)CC1
398245438	ZINC000650857951	ref	-0.05	-14.73	0	293.298	1.735	3	4	5	C[C@@H](O)[C@H](NC(=O)NCc1cocn1)c1ccccc1F
398245443	ZINC000650858494	ref	6.56	-12.42	0	289.383	1.917	2	4	3	C[C@@H](NC(=O)NC1CC2(CCC2)C1)c1nnc2n1CCC2
343994025	ZINC000079919922	ref	6.55	-16.15	0	283.416	2.206	1	2	6	CCCCC[C@@H](C)CC(=O)N1CCCN(C(N)=O)CC1
343994027	ZINC000079911192	ref	8.91	-39.44	1	291.395	2.035	1	3	4	CC(C)Oc1cccnc1C(=O)N(C)[C@@H]1CCC[N@H+](C)C1
178302792	ZINC000082802934	ref	6.96	-77.2	0	288.347	1.197	1	3	2	O=C([O-])C1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1
178302795	ZINC000082802934	high	5.6	-48.28	-1	288.347	1.197	1	4	2	O=C([O-])C1CCN(C(=O)[C@@H]2CNCc3ccccc32)CC1
178302796	ZINC000082802938	ref	1.37	-55.85	1	289.379	0.01	2	3	3	O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCN(CCO)CC1
343994028	ZINC000079911192	mid	8.99	-32.61	1	291.395	2.035	1	3	4	CC(C)Oc1cccnc1C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1
295666353	ZINC000412986192	ref	5.59	-15.47	0	324.402	2.517	1	6	3	COC(=O)c1c(C)nc(=O)[nH]c1S[C@H]1CCCC(C)(C)C1=O
178302797	ZINC000082802938	low	3.66	-111.53	2	289.379	0.01	3	2	3	O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](CCO)CC1
178302799	ZINC000082802938	high	0.02	-10.44	0	289.379	0.01	2	4	3	O=C([C@@H]1CNCc2ccccc21)N1CCN(CCO)CC1
295666354	ZINC000412986192	high	4.83	-52.91	-1	324.402	2.517	0	6	3	COC(=O)c1c(C)nc(=O)[n-]c1S[C@H]1CCCC(C)(C)C1=O
361823524	ZINC000612425777	ref	3.56	-12.57	0	319.405	2.46	3	4	6	CC[C@H](C)[C@@H](O)CNC(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
295666355	ZINC000412985868	ref	7.58	-10.71	0	311.403	2.894	0	6	7	COC(=O)c1cccnc1SCCCO[C@H]1CCCCO1
361823531	ZINC000612424694	ref	3.83	-10.49	0	309.406	2.376	2	4	8	CC[C@@H](C)[C@@H](O)CNC(=O)C(C)(C)Oc1ccc(OC)cc1
361823537	ZINC000612423877	ref	7.32	-34.62	1	318.461	2.218	3	2	8	CCC[C@H](O)CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1
361823540	ZINC000612423877	mid	7.13	-41.63	1	318.461	2.218	3	2	8	CCC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1
361823544	ZINC000612424291	ref	4.54	-14.05	0	315.295	2.1	2	4	4	CC(C)[C@@H](O)CNC(=O)c1cccn2cc(C(F)(F)F)nc12
361823553	ZINC000612423925	ref	5.03	-8.08	0	321.417	2.056	2	4	7	CCC(CC)[C@H](O)CNC(=O)[C@@H]1OCCO[C@@H]1c1ccccc1
361823559	ZINC000612425508	ref	4.29	-15.73	0	305.353	2.148	2	4	6	CC[C@H](C)[C@H](O)CNC(=O)c1c(F)cccc1-n1cccn1
214186688	ZINC000293585604	low	3.15	-61.06	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@H](O)C[N@H+](C)[C@H]2CCS(=O)(=O)C2)cc1
214186690	ZINC000293585604	low	2.86	-62.3	1	357.472	0.734	2	5	9	COCCc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCS(=O)(=O)C2)cc1
214186693	ZINC000293596339	ref	4.92	-25.19	0	366.403	0.033	2	7	6	CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ncn(C)n2)cc1
349535031	ZINC000618814148	ref	5.82	-23.69	0	268.361	1.225	0	5	7	CC(C)CCO[C@@H](C)C(=O)N(C)Cc1cn(C)nn1
197593756	ZINC000162822987	ref	6.24	-38.06	1	300.406	2.428	2	3	7	CCCC[C@@H](C[NH3+])NC(=O)c1cc(C)n(-c2ccccc2)n1
214186696	ZINC000293589766	ref	8.87	-17.21	0	359.312	0.876	1	7	2	Cc1nc(C(=O)N2C[C@H](C(F)(F)F)OC(C)(C)C2)nn1-c1nc[nH]n1
214186699	ZINC000293588591	ref	7.07	-24.06	0	374.376	0.513	2	6	3	Cc1nc(NC(=O)C(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)nn1C
214186703	ZINC000293594596	ref	1.79	-12.82	0	373.453	0.943	1	6	5	O=C(CN1CCN(C[C@@H](O)c2cc3ccccc3o2)CC1)N1CCOCC1
214186706	ZINC000293594596	mid	4.11	-45.85	1	373.453	0.943	2	5	5	O=C(CN1CC[NH+](C[C@@H](O)c2cc3ccccc3o2)CC1)N1CCOCC1
214186710	ZINC000293593299	ref	4.87	-12.88	0	370.413	0.815	2	7	2	Cc1ccc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)cc1-n1cnnn1
342079453	ZINC000625304062	ref	6.86	-12.57	0	292.383	1.522	0	5	1	Cc1nnc2n1CCN(C(=O)[C@H]1CC(C)(C)OC1(C)C)C2
349535036	ZINC000618812643	ref	4.6	-22.93	0	274.324	1.234	0	5	5	COCc1ccc(C(=O)N(C)Cc2cn(C)nn2)cc1
214186713	ZINC000293588588	ref	7.01	-24.4	0	374.376	0.513	2	6	3	Cc1nc(NC(=O)C(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)nn1C
349535965	ZINC000621244343	ref	5.04	-8.53	0	282.29	2.095	2	2	4	Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CC2(F)F)cc1
342079454	ZINC000032106059	ref	6.93	-36.87	0	251.282	1.364	1	4	5	CC[N@H+](CC(=O)[O-])Cc1ccc2c(c1)OCCO2
342079455	ZINC000032106059	mid	6.94	-36.16	0	251.282	1.364	1	4	5	CC[N@@H+](CC(=O)[O-])Cc1ccc2c(c1)OCCO2
342079456	ZINC000625303921	ref	7.62	-47.02	1	286.379	1.301	0	5	5	Cn1cc(CCN2CCO[C@H](Cc3ccccc3)C2)nn1
342079457	ZINC000625303921	mid	7.75	-46.15	1	286.379	1.301	1	4	5	Cn1cc(CC[N@@H+]2CCO[C@H](Cc3ccccc3)C2)nn1
342079458	ZINC000625303921	mid	7.62	-47.02	1	286.379	1.301	1	4	5	Cn1cc(CC[N@H+]2CCO[C@H](Cc3ccccc3)C2)nn1
342079459	ZINC000608862607	ref	8.81	-46.23	1	278.352	1.122	1	4	7	COC(=O)[C@H](C)C[N@H+](CCn1ccccc1=O)C1CC1
365637103	ZINC000341003064	mid	2.48	-49.04	1	298.346	1.811	2	5	4	CC[C@@H]1C[N@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1O
365637107	ZINC000341003064	mid	2.27	-49.4	1	298.346	1.811	2	5	4	CC[C@@H]1C[N@@H+](Cc2nnc(-c3cccc(C#N)c3)o2)C[C@@H]1O
365639300	ZINC000641608988	ref	5.77	-11.92	0	257.333	1.603	1	2	3	O=C(N1C[C@H]2C[C@@]2(O)C1)C1(Cc2ccccc2)CC1
365639305	ZINC000641608929	ref	3.74	-14.96	0	289.401	1.008	1	5	8	CC(C)(C)OCCCNS(=O)(=O)CCn1ccnc1
365639309	ZINC000641608929	low	4.25	-44.81	1	289.401	1.008	1	4	8	CC(C)(C)OCCCNS(=O)(=O)CCn1cc[nH+]c1
365639313	ZINC000641608780	ref	2.91	-8.46	0	275.414	1.455	1	3	3	C[C@@H]1CN(S(=O)(=O)CC2(C)CCC2)C[C@@H](C)C1O
365639318	ZINC000641608608	ref	7.2	-39.84	1	271.364	1.742	1	3	1	C[N@@H+]1CC[C@]2(CCN(c3ccc4c(n3)C(=O)CC4)C2)C1
342079460	ZINC000608862607	mid	8.74	-37.4	1	278.352	1.122	1	4	7	COC(=O)[C@H](C)C[N@@H+](CCn1ccccc1=O)C1CC1
365639321	ZINC000641608608	mid	7.21	-41.2	1	271.364	1.742	1	3	1	C[N@H+]1CC[C@]2(CCN(c3ccc4c(n3)C(=O)CC4)C2)C1
230730960	ZINC000414305291	ref	6.0	-19.57	0	319.348	3.191	1	2	5	C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[S@](=O)CC1CC1
365639324	ZINC000641608608	high	4.58	-13.16	0	271.364	1.742	0	4	1	CN1CC[C@]2(CCN(c3ccc4c(n3)C(=O)CC4)C2)C1
365639329	ZINC000641602345	ref	3.19	-11.16	0	293.429	1.632	0	4	8	CCO[C@@]1(CS(=O)(=O)N(CC)[C@@H](C)CC)CCOC1
365639335	ZINC000641602285	ref	2.08	-8.93	0	270.329	1.615	2	5	5	C[C@H](O)CN(CCO)c1nc2ccc(F)cc2s1
365639340	ZINC000641602344	ref	3.34	-12.36	0	293.429	1.632	0	4	8	CCO[C@]1(CS(=O)(=O)N(CC)[C@@H](C)CC)CCOC1
365639345	ZINC000641602543	ref	2.58	-9.64	0	267.391	1.098	0	4	9	CC[C@H](C)N(CC)S(=O)(=O)C(COC)COC
282122851	ZINC000424372803	low	5.64	-43.62	0	336.436	2.131	2	6	8	CCC(CC)(CNc1cc(N2CCCC[C@@H]2CO)nc[nH+]1)C(=O)[O-]
365639351	ZINC000641608820	ref	5.27	-13.98	0	295.408	1.615	0	5	4	CS(=O)(=O)C[C@H]1CCCN(c2cc(C3CC3)ncn2)C1
365639359	ZINC000641602384	ref	4.34	-11.31	0	261.329	1.134	1	6	5	CO[C@H](C)[C@@H](C)Nc1ccc(-c2ccnn2C)nn1
365639364	ZINC000641608433	ref	3.58	-8.92	0	285.409	1.662	1	3	4	O=S(=O)(NC[C@@H]1CCC[C@@H]2C[C@H]12)[C@@H]1C[C@@H]2CC[C@H]1O2
365639371	ZINC000641602316	ref	3.48	-33.57	1	265.361	1.108	3	4	8	CCCC[N@H+](C)C[C@@H](C)Nc1nccnc1C(N)=O
168366140	ZINC000082405645	ref	-1.96	-45.55	1	158.226	0.524	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1cncs1
282122853	ZINC000424372803	low	5.7	-48.19	0	336.436	2.131	2	6	8	CCC(CC)(CNc1cc(N2CCCC[C@@H]2CO)[nH+]cn1)C(=O)[O-]
214186697	ZINC000278487463	mid	8.58	-46.45	1	309.45	3.467	2	2	5	O[C@H](C[C@H]1CCC[N@H+]1C[C@H]1CCSC1)c1ccc(F)cc1
214186700	ZINC000278486921	ref	9.7	-17.94	0	307.375	2.148	1	6	5	CCOC(=O)c1cnc(NC(=O)Cc2ccc(C)s2)n1C
214186702	ZINC000278488955	ref	8.02	-56.8	1	301.419	2.112	1	5	4	Cn1nccc1N1CCC[C@H]([NH2+]Cc2ccc(C#N)s2)C1
178302805	ZINC000237202754	high	2.86	-16.66	0	356.426	1.21	2	5	9	COCCNCC(=O)NCc1ccc(N(C)C(=O)c2ccncc2)cc1
214186704	ZINC000278488955	high	6.81	-8.1	0	301.419	2.112	1	6	4	Cn1nccc1N1CCC[C@H](NCc2ccc(C#N)s2)C1
214186708	ZINC000278488041	ref	5.48	-10.98	0	307.39	2.637	1	4	5	COc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)ccc1OC(C)C
214186711	ZINC000278487828	ref	4.05	-40.87	1	300.353	3.118	2	4	10	C=CC[NH+](CC=C)[C@@H](CNc1nnc(C(F)F)o1)C(C)C
214186715	ZINC000278487828	mid	3.36	-26.05	0	300.353	3.118	1	3	10	C=CC[NH+](CC=C)[C@@H](C[N-]c1nnc(C(F)F)o1)C(C)C
178302808	ZINC000237208197	ref	3.27	-43.09	1	368.437	1.412	3	4	4	CN(C(=O)CNC(=O)c1cnc2ccccc2c1O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
282122856	ZINC000248972792	ref	2.19	-14.58	0	314.426	1.955	3	4	4	C[C@H](C(=O)N[C@@H]1CC[C@@H](O)CC1)[C@@H](C)NC(=O)OC(C)(C)C
178302810	ZINC000237208197	mid	4.03	-56.01	1	368.437	1.412	3	3	4	CN(C(=O)CNC(=O)c1c[nH]c2ccccc2c1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
214186719	ZINC000278489023	ref	5.68	-29.61	0	306.387	2.816	0	3	4	COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cc[nH+]cc1C
214186720	ZINC000278489023	mid	5.19	-49.16	-1	306.387	2.816	0	4	4	COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1ccncc1C
214186721	ZINC000278489023	low	5.57	-39.31	1	306.387	2.816	1	3	4	COc1cc(C)cc(C)c1S(=O)(=O)Nc1cc[nH+]cc1C
214186722	ZINC000278488168	ref	3.55	-42.8	-1	317.744	2.062	0	4	6	CCOCCOC1CN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1
259308347	ZINC000220196031	ref	6.72	-36.58	1	223.36	2.436	2	1	4	C[N@@H+](C[C@@H]1CC=CCC1)C[C@H]1CCC[C@@H]1O
214186723	ZINC000278488168	low	2.77	-10.65	0	317.744	2.062	1	4	6	CCOCCOC1CN(C(=O)c2cc(F)c(O)c(Cl)c2)C1
214186725	ZINC000278488627	ref	3.32	-8.02	0	313.825	2.499	1	4	8	COC[C@H](C)OC[C@H](O)CN1CC[C@H]1c1ccc(Cl)cc1
214186731	ZINC000278488627	mid	6.01	-43.78	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1
214186733	ZINC000278488627	mid	5.43	-41.27	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1
214186736	ZINC000278487027	ref	4.59	-16.75	0	318.398	1.978	1	4	5	CCc1ccc(C(=O)NCc2ncccc2S(C)(=O)=O)cc1
230730949	ZINC000450408998	ref	4.32	-9.54	0	314.389	1.435	2	5	9	C=CC[C@H](CO)CNC(=O)c1cn(CCc2ccccc2)nn1
365637105	ZINC000641604024	ref	2.44	-10.02	0	259.371	1.273	1	3	3	C[C@@H]1COCC[C@@H]1S(=O)(=O)N[C@]12CCC[C@H]1C2
365637110	ZINC000641604735	ref	6.12	-13.19	0	299.44	1.875	1	4	6	C[C@@H]1CC(CNS(=O)(=O)CCn2ccnc2)C[C@@H](C)C1
365637112	ZINC000641604735	low	6.63	-43.03	1	299.44	1.875	1	3	6	C[C@@H]1CC(CNS(=O)(=O)CCn2cc[nH+]c2)C[C@@H](C)C1
365637116	ZINC000641604170	ref	3.54	-11.77	0	285.413	1.682	1	4	5	CN(C)S(=O)(=O)CCNc1cc(C(C)(C)C)ccn1
365637118	ZINC000641604170	mid	4.02	-39.14	1	285.413	1.682	1	3	5	CN(C)S(=O)(=O)CCNc1cc(C(C)(C)C)cc[nH+]1
365637120	ZINC000641604175	ref	3.08	-10.34	0	258.325	1.53	1	5	3	Cc1cnn([C@@H]2CCN(c3cc(CO)ccn3)C2)c1
365637122	ZINC000641604175	low	3.17	-33.7	1	258.325	1.53	1	4	3	Cc1cnn([C@@H]2CCN(c3cc(CO)cc[nH+]3)C2)c1
365637125	ZINC000641604488	ref	4.03	-20.11	0	294.376	1.222	0	5	1	C[C@H]1CN(c2ccc3c(n2)C(=O)CC3)C[C@H](C)S1(=O)=O
365637128	ZINC000641603975	ref	2.07	-12.26	0	289.397	1.044	1	4	6	CCO[C@]1(CS(=O)(=O)N[C@@]23CCC[C@@H]2C3)CCOC1
365637131	ZINC000641604991	ref	4.04	-11.28	0	261.329	1.136	1	6	6	CC[C@@H](CNc1ccc(-c2ccnn2C)nn1)OC
178302806	ZINC000039391986	ref	-1.6	-9.85	0	203.205	0.014	2	5	1	Cc1cc2nc(N)c(C(N)=O)cc2nn1
230730982	ZINC000450407393	ref	5.58	-18.05	0	303.337	1.88	1	4	7	C[C@H](OCc1ccc(F)cc1)C(=O)NCCc1cnccn1
365637135	ZINC000641604185	ref	3.07	-8.29	0	278.356	1.584	2	5	6	COCC1(CNc2nccnc2C(N)=O)CCCCC1
365637138	ZINC000641605769	ref	3.18	-10.03	0	261.387	1.663	1	3	6	CCO[C@@H]1C[C@@H](NS(=O)(=O)CC2(C)CCC2)C1
178302811	ZINC000001573334	ref	9.15	-21.6	1	243.354	2.984	0	2	2	Cc1cc2[nH+]c(N(C)C)cc(N(C)C)c2cc1C
365637143	ZINC000641604539	ref	3.05	-7.89	0	297.367	1.91	1	3	6	COCC1(NS(=O)(=O)C[C@]2(C)CC2(F)F)CCCC1
178302820	ZINC000008410166	ref	5.36	-24.82	1	219.288	1.594	2	3	3	Cc1cc2[nH+]c(NCCO)n(C)c2cc1C
178302828	ZINC000008410166	mid	4.93	-11.24	0	219.288	1.594	2	4	3	Cc1cc2nc(NCCO)n(C)c2cc1C
398245437	ZINC000651429940	ref	8.53	-8.57	0	275.417	3.048	1	2	3	CC1CC(NC(=O)[C@@H]2CSC[C@H]2c2ccccc2)C1
365637148	ZINC000641604703	ref	2.72	-5.49	0	280.343	1.977	1	4	2	O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1c1ccncc1F
365637150	ZINC000641604703	low	3.19	-40.05	1	280.343	1.977	1	3	2	O[C@@H]1CCCC[C@@H]1[C@H]1COCCN1c1cc[nH+]cc1F
365637154	ZINC000641603904	ref	2.22	-13.3	0	273.292	1.185	2	4	2	Cc1ccc(-c2cc(C(=O)N3C[C@@H]4C[C@]4(O)C3)[nH]n2)o1
214186698	ZINC000337625546	ref	6.98	-7.92	0	286.322	3.478	1	2	3	Cc1ccc([C@H](C)NC(=O)N2CCCC[C@H]2C(F)F)o1
214186701	ZINC000337626503	ref	5.4	-10.28	0	294.358	2.025	2	5	6	OCC[C@@H](CNc1ncnc2ccncc12)c1ccccc1
214186705	ZINC000337626735	ref	5.54	-9.81	0	297.27	3.339	0	6	4	COc1cc([N+](=O)[O-])ccc1Oc1cnc2ccccc2n1
214186707	ZINC000337626738	ref	-2.52	-9.57	0	287.36	-0.842	3	5	5	C[C@@](O)(CNC(=O)N[C@@H]1CCOC1)CN1CCOCC1
214186709	ZINC000337626738	mid	-0.84	-43.74	1	287.36	-0.842	4	4	5	C[C@@](O)(CNC(=O)N[C@@H]1CCOC1)C[NH+]1CCOCC1
214186712	ZINC000337626105	ref	9.3	-42.14	1	279.428	2.302	2	1	4	CC(C)[N@@H+]1CCCN(C(=O)NCC2(C3CC3)CC2)CC1
342596253	ZINC000616969146	ref	2.65	-18.19	0	294.376	1.182	2	4	6	COc1ccc(SCCC(=O)N[C@@H]2CCNC2=O)cc1
342596254	ZINC000616969589	ref	1.79	-23.55	0	299.33	1.17	2	4	3	COc1ccc2cc(C(=O)N[C@@H]3CCNC3=O)c(C)nc2c1
214186714	ZINC000337626105	mid	9.27	-42.71	1	279.428	2.302	2	1	4	CC(C)[N@H+]1CCCN(C(=O)NCC2(C3CC3)CC2)CC1
214186716	ZINC000337626105	high	7.51	-7.22	0	279.428	2.302	1	2	4	CC(C)N1CCCN(C(=O)NCC2(C3CC3)CC2)CC1
214186718	ZINC000337627055	ref	3.43	-18.36	0	272.345	-0.145	1	4	8	CC[C@H](C(=O)N(C)CCOCCO)N1CCCC1=O
295666351	ZINC000185625732	ref	3.2	-9.81	0	318.417	2.369	3	3	5	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)NC1(CO)CCC1
342596255	ZINC000616968876	ref	3.66	-15.41	0	250.342	1.23	2	2	3	CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCNC2=O)C1(C)C
342596256	ZINC000616968985	ref	3.65	-16.85	0	278.377	1.635	2	3	2	O=C(N[C@H]1CCNC1=O)c1cc2c(s1)CCCCC2
342596257	ZINC000616969548	ref	3.86	-20.51	0	278.739	1.448	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl
342596258	ZINC000616969758	ref	3.36	-18.53	0	285.303	1.268	2	4	3	Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCNC1=O
214186729	ZINC000337625568	ref	8.75	-19.64	0	295.302	2.01	1	6	5	O=[N+]([O-])c1ccccc1CCNc1ncnc2ncccc12
214186732	ZINC000337625542	ref	7.01	-7.98	0	286.322	3.478	1	2	3	Cc1ccc([C@@H](C)NC(=O)N2CCCC[C@H]2C(F)F)o1
214186735	ZINC000337625846	ref	6.96	-7.74	0	273.38	2.244	2	3	7	CCC[C@H]1C[C@@H]1NC(=O)c1ccc(NCC2CC2)nc1
342596259	ZINC000616968869	ref	2.15	-18.65	0	284.319	1.003	3	3	3	Cc1ccc(-c2cc(C(=O)N[C@@H]3CCNC3=O)[nH]n2)cc1
349535041	ZINC000093260888	ref	4.0	-11.09	0	282.344	0.897	1	5	6	CCOCCN(C)C(=O)C(=O)Nc1cnn(C(C)C)c1
197593770	ZINC000290094904	ref	5.39	-8.25	0	275.757	2.196	0	3	5	CON(Cc1ccccc1Cl)S(=O)(=O)C1CC1
230730955	ZINC000425463983	ref	6.13	-17.1	0	324.388	2.32	2	5	4	C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)c1cn(-c2ccccc2)nn1
282122857	ZINC000449153455	mid	4.15	-7.59	0	264.394	2.007	2	3	4	Cc1ccccc1[C@H](N)C(=O)NC[C@@H]1CCCS1
282122861	ZINC000449153506	ref	7.63	-46.95	1	250.386	2.308	1	1	3	CC(C)N1C[C@@H]([NH2+][C@H]2CCCC23CCC3)CC1=O
282122864	ZINC000449153728	ref	5.34	-43.55	1	268.332	2.362	2	2	8	CCC[NH2+][C@@H](C)C(=O)Nc1cccc(OCCF)c1
230730967	ZINC000425461371	ref	4.5	-19.33	0	316.467	2.078	2	3	6	CCS(=O)(=O)C[C@H](C)NC(=O)N[C@@H]1CCC[C@H](C2CC2)C1
365637109	ZINC000123288716	ref	8.16	-36.77	1	257.337	2.067	1	3	2	C[C@H]1CC[C@H](C)[NH+]1Cc1cc(=O)n2ccccc2n1
365637113	ZINC000123288716	high	5.97	-12.01	0	257.337	2.067	0	4	2	C[C@H]1CC[C@H](C)N1Cc1cc(=O)n2ccccc2n1
365637114	ZINC000123386641	ref	4.97	-11.67	0	298.745	2.22	1	2	3	CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(Cl)ccc1F
365637119	ZINC000123299702	ref	7.76	-18.23	0	285.351	2.016	0	5	6	C=CCN(C(=O)Cn1nnnc1C(C)C)c1ccccc1
365637123	ZINC000123293846	ref	4.62	-3.65	0	292.423	2.116	2	3	6	CC[C@](C)(O)C[N@H+](C)Cc1ccccc1N1CCOCC1
365637126	ZINC000123293846	mid	6.41	-35.36	1	292.423	2.116	2	3	6	CC[C@](C)(O)C[N@@H+](C)Cc1ccccc1N1CCOCC1
365637129	ZINC000123293846	high	4.62	-3.65	0	292.423	2.116	1	4	6	CC[C@](C)(O)CN(C)Cc1ccccc1N1CCOCC1
365637132	ZINC000123303623	ref	5.63	-39.43	1	291.439	2.124	1	3	6	C[C@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1
365637136	ZINC000123391977	ref	3.94	-11.4	0	274.162	2.001	1	4	2	Cn1ncc(NCC(C)(C)C)c(Br)c1=O
342079461	ZINC000608862607	high	7.15	-12.05	0	278.352	1.122	0	5	7	COC(=O)[C@H](C)CN(CCn1ccccc1=O)C1CC1
343994029	ZINC000079911192	mid	6.53	-12.23	0	291.395	2.035	0	4	4	CC(C)Oc1cccnc1C(=O)N(C)[C@@H]1CCCN(C)C1
342079462	ZINC000625304913	ref	1.35	-40.15	1	271.401	1.447	3	3	7	CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCOCC1
343994030	ZINC000079918609	ref	5.88	-10.76	0	298.386	2.192	2	3	8	O=C(CN(CCCO)c1ccccc1)NCc1ccccc1
342079463	ZINC000608860439	ref	8.85	-65.2	1	290.323	1.284	2	5	7	C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])c1
365637140	ZINC000123296731	ref	5.6	-10.6	0	252.277	2.221	1	4	2	Cn1nccc1NC(=O)c1ccc2ccccc2n1
365637144	ZINC000123409345	ref	4.26	-14.73	0	257.293	2.437	0	4	2	O=C(c1ccccc1)N1CCCC[C@@H]1c1ncon1
365637153	ZINC000123335462	ref	4.9	-11.72	0	284.4	2.012	1	3	7	CCO[C@H]1C[C@H](N(C)C(=O)NCCCOC)C12CCC2
342079464	ZINC000608860439	mid	8.84	-66.31	1	290.323	1.284	2	5	7	C[N@H+](Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])c1
342079465	ZINC000608860439	high	6.42	-19.36	0	290.323	1.284	1	6	7	CN(Cc1ccccc1)C[C@H](O)Cn1cnc([N+](=O)[O-])c1
365637121	ZINC000617436219	ref	4.14	-16.45	0	293.371	0.952	2	5	4	C[C@@H]1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)c2ncnn21
342079466	ZINC000625304929	ref	4.91	-38.05	1	285.428	1.911	2	3	4	CC(C)(C)[C@H]1CC[N@H+](CCOC2CCOCC2)C[C@@H]1O
342079467	ZINC000625304929	mid	4.42	-37.87	1	285.428	1.911	2	3	4	CC(C)(C)[C@H]1CC[N@@H+](CCOC2CCOCC2)C[C@@H]1O
365637124	ZINC000617435735	ref	4.39	-18.09	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)n(C)n1
342079468	ZINC000625304929	high	2.7	-3.86	0	285.428	1.911	1	4	4	CC(C)(C)[C@H]1CCN(CCOC2CCOCC2)C[C@@H]1O
342079469	ZINC000608863178	ref	8.55	-50.32	1	288.351	1.503	1	5	6	COC(=O)[C@H](C)C[N@H+](Cc1cnc2ccnn2c1)C1CC1
342079470	ZINC000608863178	mid	8.36	-45.58	1	288.351	1.503	1	5	6	COC(=O)[C@H](C)C[N@@H+](Cc1cnc2ccnn2c1)C1CC1
342079471	ZINC000608863178	mid	7.19	-12.27	0	288.351	1.503	0	6	6	COC(=O)[C@H](C)CN(Cc1cnc2ccnn2c1)C1CC1
365637127	ZINC000617438161	ref	1.62	-16.05	0	259.273	0.086	2	7	2	C[C@H]1C[C@H](NC(=O)c2nccnc2N)c2ncnn21
214186730	ZINC000293595456	ref	2.09	-17.22	0	357.407	0.802	2	4	4	CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCC[C@@H]2CF)ccc1C
365637130	ZINC000617435694	ref	4.85	-22.06	0	273.296	0.874	1	6	4	C[C@H]1C[C@H](NC(=O)COc2cccnc2)c2ncnn21
214186734	ZINC000293594848	ref	4.16	-50.74	1	364.446	0.471	4	4	10	C[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C[NH+](C)C
185089034	ZINC000096075985	mid	7.08	-40.95	1	274.368	1.55	1	4	4	COc1cc(N2CC[C@]3(CC[N@H+]3CC3CC3)C2)ncn1
365637133	ZINC000617435486	ref	4.99	-22.65	0	282.344	0.842	1	6	7	CCOCCO[C@H](C)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
342079472	ZINC000608862649	ref	8.78	-43.03	1	282.384	1.272	1	3	8	COC(=O)[C@@H](C)C[N@H+](CCCN1CCCC1=O)C1CC1
214186743	ZINC000293592340	ref	2.87	-18.59	0	351.428	0.759	1	4	3	Cc1cccc(C)c1CS(=O)(=O)N1CC[C@]2(C1)NC(=O)N(C)C2=O
185089036	ZINC000096075985	high	4.06	-5.56	0	274.368	1.55	0	5	4	COc1cc(N2CC[C@]3(CCN3CC3CC3)C2)ncn1
214186745	ZINC000293598966	ref	8.3	-20.1	0	350.375	0.972	2	7	5	COC(=O)Cc1nc(NC(=O)C23CCC(C(=O)OC)(CC2)CC3)n[nH]1
349535043	ZINC000594969524	ref	7.02	-46.61	1	299.418	2.684	1	3	5	CCO[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc(C#N)cc3)CC2)C1
214186737	ZINC000278487257	ref	8.26	-18.28	0	313.401	2.489	1	4	5	CC1(C)CC[C@@H](C(=O)NCCc2cnn(-c3ccccc3)c2)O1
342596260	ZINC000616969757	ref	3.36	-18.88	0	285.303	1.268	2	4	3	Cc1onc(-c2ccccc2)c1C(=O)N[C@@H]1CCNC1=O
214186739	ZINC000278486795	ref	3.36	-62.45	1	318.414	1.643	2	3	10	CCOc1ccc(C[NH2+]CCCNS(=O)(=O)CC)cc1F
365637134	ZINC000617439569	ref	2.61	-17.62	0	250.302	0.705	2	5	2	C[C@@H]1C[C@H](NC(=O)C2(O)CCCC2)c2ncnn21
342596261	ZINC000616969322	ref	4.42	-17.9	0	260.337	1.647	2	2	5	CCCCc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
365637137	ZINC000617436245	ref	2.8	-24.5	0	294.359	0.627	3	5	6	CCCC[C@H](NC(N)=O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
214186741	ZINC000278488604	ref	4.71	-16.6	0	313.283	2.171	2	3	2	O=C(c1cc[nH]n1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
214186744	ZINC000278488604	mid	4.5	-16.02	0	313.283	2.171	2	3	2	O=C(c1ccn[nH]1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
214186747	ZINC000278489052	ref	6.85	-15.59	0	300.358	2.733	1	4	4	Cc1ccc(NC(=O)c2cccc(=O)n2C)cc1OC(C)C
342596262	ZINC000616969234	ref	2.01	-18.95	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(Cl)ccc1F
214186750	ZINC000278488417	ref	5.69	-8.0	0	302.349	3.309	1	4	5	Cc1nc(F)ccc1CNc1ccccc1O[C@H]1CCOC1
295666356	ZINC000412987168	ref	6.66	-15.27	0	317.37	2.534	1	6	5	COC(=O)c1cccnc1SCc1cc(=O)[nH]c(C2CC2)n1
214186756	ZINC000278487222	ref	8.22	-16.06	0	310.354	1.466	0	5	3	Cc1ccc(CS(=O)(=O)N2CCCn3ncnc32)c(F)c1
214186760	ZINC000278487611	ref	4.76	-14.02	0	322.413	2.047	0	8	9	CCn1ncnc1CN(C)Cc1nc([C@@H](C)OCC(C)C)no1
214186764	ZINC000278488911	ref	9.59	-52.13	1	304.459	3.09	2	2	4	O=C(Nc1ccccc1)C1CC[NH+](C[C@H]2CCSC2)CC1
365637139	ZINC000617439190	ref	4.24	-26.33	0	293.371	0.952	2	5	6	CC(C)CC(=O)NCCC(=O)N[C@H]1C[C@H](C)n2ncnc21
214186766	ZINC000278486747	ref	5.14	-44.95	1	309.385	1.422	3	2	4	C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C)C1
214186769	ZINC000278486747	mid	5.28	-44.39	1	309.385	1.422	3	2	4	C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C)C1
197593773	ZINC000162821739	ref	8.1	-11.79	0	310.382	3.138	0	6	4	COc1ccc(CSc2nc(C)nc(C)c2C#N)cc1C#N
214186771	ZINC000278486747	mid	2.87	-8.67	0	309.385	1.422	2	3	4	C[C@H](O)CN1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C)C1
214186774	ZINC000278487680	ref	2.2	-46.6	1	312.32	2.731	2	5	7	COc1cccc([C@@H](CNc2nnc(C(F)F)o2)[NH+](C)C)c1
282122858	ZINC000444120738	ref	4.4	-44.18	1	275.356	0.017	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@]13CC[NH2+]C3)CC2
342596263	ZINC000616969596	ref	3.79	-16.45	0	278.739	1.376	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2ccc(Cl)cc2)CC1
398245441	ZINC000651428816	ref	6.35	-12.5	0	296.455	3.146	2	2	2	C[C@@H](NC(=O)N1CCC[C@@H]1[C@H]1CCCC[C@@H]1O)C(C)(C)C
365637141	ZINC000625079708	ref	7.69	-40.47	1	322.371	2.288	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1
365637146	ZINC000625079708	mid	7.45	-41.29	1	322.371	2.288	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@@H+](C[C@@H]1CCOC1)C1CC1
282122874	ZINC000360186806	ref	1.65	-14.79	0	267.358	-0.32	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CSCN1)CC2
282122882	ZINC000360186806	mid	3.04	-51.66	1	267.358	-0.32	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CSC[NH2+]1)CC2
365637149	ZINC000625079708	high	6.09	-10.91	0	322.371	2.288	0	3	8	CCCN(CC(F)(F)F)C(=O)CN(C[C@@H]1CCOC1)C1CC1
230731020	ZINC000414306568	ref	7.91	-42.67	1	311.447	3.391	1	4	6	COCC1CCC([NH2+][C@H](C)c2cc(C(=O)OC)cs2)CC1
365637151	ZINC000625081872	ref	8.26	-13.42	0	313.357	2.015	0	5	2	COc1cccc2c1N(C(=O)c1cn3c(n1)COCC3)CCC2
365637158	ZINC000625083486	ref	5.22	-9.4	0	301.452	2.3	1	3	7	CCO[C@H](CS(=O)(=O)N[C@H]1CC2CCC1CC2)C1CC1
342596264	ZINC000616968881	ref	2.97	-17.74	0	264.35	1.245	2	3	2	O=C(N[C@H]1CCNC1=O)c1csc2c1CCCC2
342596265	ZINC000616969787	ref	4.01	-24.88	0	271.32	1.279	2	3	3	CCn1cc(C(=O)N[C@@H]2CCNC2=O)c2ccccc21
342596266	ZINC000616968933	ref	1.28	-26.07	0	299.33	1.197	2	4	4	Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H]1CCNC1=O
349535047	ZINC000093264788	ref	4.41	-51.02	1	255.362	0.313	1	2	4	CC[C@H](C)CN(CC)C(=O)C(=O)N1CC[NH2+]CC1
365637164	ZINC000625079776	ref	10.3	-46.71	1	316.445	2.188	1	2	7	CCO[C@@H](C[NH+]1CCN(C(=O)Cc2ccccc2)CC1)C1CC1
342596267	ZINC000616969026	ref	4.31	-15.8	0	266.385	1.988	2	2	5	CCCCC1CCC(C(=O)N[C@@H]2CCNC2=O)CC1
342596268	ZINC000616969773	ref	3.05	-17.1	0	264.35	1.245	2	3	2	O=C(N[C@@H]1CCNC1=O)c1cc2c(s1)CCCC2
342596269	ZINC000616969148	ref	1.93	-21.56	0	257.293	1.095	3	2	2	Cc1[nH]c2ccccc2c1C(=O)N[C@@H]1CCNC1=O
303960012	ZINC000563542666	ref	0.72	-21.36	0	320.455	1.013	2	4	9	CC(C)[C@@H]1OCC[C@@H]1CNC(=O)CCCCCS(N)(=O)=O
303960015	ZINC000563543591	ref	1.87	-16.06	0	319.471	1.104	2	3	7	CCC(CC)[C@@H](C)C(=O)N1CCC(NS(=O)(=O)NC)CC1
342596270	ZINC000616968878	ref	3.66	-15.86	0	250.342	1.23	2	2	3	CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H]2CCNC2=O)C1(C)C
365637142	ZINC000617438162	ref	1.62	-16.01	0	259.273	0.086	2	7	2	C[C@H]1C[C@@H](NC(=O)c2nccnc2N)c2ncnn21
365637145	ZINC000617436217	ref	4.14	-16.79	0	293.371	0.952	2	5	4	C[C@H]1C[C@H](NC(=O)CNC(=O)CC(C)(C)C)c2ncnn21
282122859	ZINC000443894068	ref	8.34	-6.82	0	298.314	3.125	1	5	7	CCC(CC)(CNc1ccc(F)cc1[N+](=O)[O-])C(=O)OC
290622685	ZINC000492523042	ref	5.32	-14.03	0	297.358	2.246	1	4	6	COc1cncc(/C=C/C(=O)N[C@@H](C)Cc2ccncc2)c1
178302814	ZINC000237208197	high	3.61	-64.07	0	368.437	1.412	2	3	4	CN(C(=O)CNC(=O)c1c[n-]c2ccccc2c1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
290622688	ZINC000492523604	ref	4.33	-12.69	0	278.377	2.154	1	4	3	CC[C@H]1CN(C(=O)/C=C\c2cncc(O)c2)CCS1
290622690	ZINC000492523604	high	5.09	-54.24	-1	278.377	2.154	0	4	3	CC[C@H]1CN(C(=O)/C=C\c2cncc([O-])c2)CCS1
282122872	ZINC000128773930	ref	7.13	-6.41	0	289.379	2.961	1	5	6	CCC(CC)(CNc1cc(C)nc(C)c1C#N)C(=O)OC
282122881	ZINC000128773930	low	7.49	-34.3	1	289.379	2.961	1	4	6	CCC(CC)(CNc1cc(C)[nH+]c(C)c1C#N)C(=O)OC
282122888	ZINC000425264350	ref	7.0	-10.99	0	343.855	2.994	1	6	6	CCC(CC)(CNc1cnn(C)c(=O)c1Cl)C(=O)OC(C)(C)C
365637147	ZINC000617435447	ref	1.12	-20.66	0	286.295	0.208	2	6	3	C[C@@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)c2ncnn21
365637152	ZINC000617436247	ref	2.8	-27.13	0	294.359	0.627	3	5	6	CCCC[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365637155	ZINC000617438374	ref	1.46	-15.32	0	274.284	0.512	1	7	3	COc1ccc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)nn1
365637159	ZINC000617437634	ref	3.68	-17.98	0	279.344	0.706	2	5	6	CCCNC(=O)CCC(=O)N[C@H]1C[C@H](C)n2ncnc21
178302815	ZINC000237220649	ref	2.61	-48.32	1	350.459	1.879	3	4	8	COc1cc(OC)cc([C@@H](O)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c1
365637162	ZINC000617437228	ref	4.69	-19.03	0	260.301	0.93	1	6	3	CCn1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)cn1
178302817	ZINC000237222449	ref	3.86	-55.1	1	359.43	1.789	2	6	7	COCCOc1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1
365637165	ZINC000617437324	ref	3.93	-15.73	0	250.302	0.827	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@H]2CCCOC2)c2ncnn21
365637168	ZINC000617436218	ref	4.14	-16.44	0	293.371	0.952	2	5	4	C[C@H]1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)c2ncnn21
365637173	ZINC000617436179	ref	5.39	-16.68	0	274.328	0.995	1	6	4	Cc1cnn(CCC(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1
290622692	ZINC000492523064	ref	4.9	-14.62	0	299.33	2.454	1	5	5	COc1cncc(/C=C/C(=O)Nc2nc(C)ccc2OC)c1
214186738	ZINC000337627750	ref	3.05	-14.8	0	295.261	0.571	1	5	6	CCN(C[C@H](O)C(F)(F)F)C(=O)COc1cnn(C)c1
178302822	ZINC000237213412	ref	6.48	-94.58	2	370.291	1.628	3	2	7	C[NH2+]CC(=O)NC1CC[NH+](CCOc2ccc(Br)cc2)CC1
365637156	ZINC000641604797	ref	3.57	-47.21	1	292.445	1.205	2	3	8	C[C@H](CCNS(=O)(=O)CC[C@@H]1CCCCO1)[NH+](C)C
365637160	ZINC000641604846	ref	-0.55	-13.37	0	262.356	1.147	1	5	7	C=CCCNS(=O)(=O)Cc1cc(OC)ns1
398245442	ZINC000649440595	ref	6.7	-11.16	0	243.262	3.005	0	4	1	Cc1oncc1-c1ccc2c(c1)C(=O)CCCO2
398245445	ZINC000649443637	ref	8.13	-45.57	1	229.323	2.585	1	1	4	CC(=O)CCc1ccc(C2=CC[NH2+]CC2)cc1
398245448	ZINC000649443714	ref	5.81	-52.97	1	240.306	2.626	2	1	1	Cc1cc(C2=CC[NH2+]CC2)cc2ccc(=O)[nH]c12
214186746	ZINC000337627747	ref	3.35	-13.81	0	295.261	0.571	1	5	6	CCN(C[C@@H](O)C(F)(F)F)C(=O)COc1cnn(C)c1
214186749	ZINC000337625044	ref	2.29	-10.18	0	282.296	-0.051	1	6	7	COC(=O)c1ccc(C(=O)N(C)CCOCCO)nc1
214186752	ZINC000337626511	ref	8.22	-12.45	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2CCC[C@@H]2C)n1
282122860	ZINC000248975327	ref	2.48	-32.32	1	314.813	1.651	3	4	7	Cc1ccc(NC(=O)CN(C[C@H](C)O)[C@H](C)CO)c(Cl)c1
282122862	ZINC000248975327	mid	2.55	-33.01	1	314.813	1.651	4	3	7	Cc1ccc(NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)c(Cl)c1
214186759	ZINC000337624333	ref	8.51	-12.38	0	289.383	2.329	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@H]2CC=CCC2)n1
214186762	ZINC000337626220	ref	7.17	-10.09	0	264.354	2.286	2	4	4	CSCC(C)(C)C(=O)Nc1nc2cccnc2[nH]1
178302824	ZINC000237213412	high	4.09	-42.19	1	370.291	1.628	2	3	7	C[NH2+]CC(=O)NC1CCN(CCOc2ccc(Br)cc2)CC1
178302826	ZINC000237218777	ref	5.47	-47.9	1	368.865	1.213	2	5	5	COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC(=O)N(C)C)CC1
178302830	ZINC000237218777	mid	5.47	-47.9	1	368.865	1.213	3	4	5	COc1cc(N)c(Cl)cc1C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1
365637163	ZINC000641604554	ref	0.49	-10.67	0	291.413	1.026	2	4	7	O=S(=O)(CC[C@H]1CCCCO1)N[C@H](CO)C1CCC1
365637166	ZINC000641604007	ref	4.22	-14.25	0	260.337	1.595	2	4	4	O=C1CCc2ccc(N[C@H](CO)C3CCCC3)nc21
214186767	ZINC000337625566	ref	4.96	-9.91	0	266.366	2.384	1	3	2	O=C(N[C@@H]1CCOC1)N1CCC[C@H]1c1ccsc1
214186770	ZINC000337626504	ref	5.39	-10.3	0	294.358	2.025	2	5	6	OCC[C@H](CNc1ncnc2ccncc12)c1ccccc1
365637167	ZINC000641603936	ref	1.44	-11.97	0	282.365	1.447	1	5	4	CCO[C@H](C)c1ncc(C(=O)N2C[C@@H]3C[C@]3(O)C2)s1
365637157	ZINC000123409508	ref	3.76	-6.68	0	290.407	2.323	2	3	5	CCC[C@@](C)(O)C(=O)NC1CCN(c2ccccc2)CC1
178302825	ZINC000082802895	ref	5.5	-51.84	1	267.332	2.216	2	2	2	Cc1cc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)ccn1
365637161	ZINC000123304041	ref	5.62	-39.13	1	291.439	2.124	1	3	6	C[C@@H]([NH2+]C[C@@H](C)N1CCOCC1)c1ccc(N(C)C)cc1
178302827	ZINC000082802895	low	5.92	-89.43	2	267.332	2.216	2	1	2	Cc1cc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc[nH+]1
178302829	ZINC000082802895	high	3.88	-10.76	0	267.332	2.216	2	3	2	Cc1cc(NC(=O)[C@@H]2CNCc3ccccc32)ccn1
342079473	ZINC000608862649	mid	8.76	-43.7	1	282.384	1.272	1	3	8	COC(=O)[C@@H](C)C[N@@H+](CCCN1CCCC1=O)C1CC1
342079474	ZINC000625303798	ref	8.55	-45.12	1	288.395	1.254	0	4	3	Cn1cc(CN2CCCN(C(=O)C34CC(C3)C4)CC2)cn1
349535049	ZINC000594968748	ref	7.26	-41.33	1	297.439	2.639	2	3	8	COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C)C2(CO)CC2)C1
214186748	ZINC000293598966	high	7.93	-53.4	-1	350.375	0.972	1	7	5	COC(=O)Cc1n[n-]c(NC(=O)C23CCC(C(=O)OC)(CC2)CC3)n1
365637175	ZINC000123395738	ref	5.15	-41.68	1	252.402	2.043	1	2	6	C[C@@H](CCN1CCOCC1)[NH2+]C[C@H]1CC=CCC1
365637183	ZINC000123395738	low	7.58	-113.61	2	252.402	2.043	2	1	6	C[C@@H](CC[NH+]1CCOCC1)[NH2+]C[C@H]1CC=CCC1
178302837	ZINC000082802924	ref	6.05	-46.93	1	282.343	2.521	2	2	3	COc1ccccc1NC(=O)[C@H]1C[NH2+]Cc2ccccc21
178302838	ZINC000082802924	high	4.4	-8.87	0	282.343	2.521	2	3	3	COc1ccccc1NC(=O)[C@H]1CNCc2ccccc21
365637190	ZINC000123363679	ref	6.0	-44.94	1	277.368	2.045	3	2	7	CCCC[N@H+](CC(=O)NC(N)=O)[C@H](C)c1ccccc1
365637201	ZINC000123363679	mid	6.03	-49.22	1	277.368	2.045	3	2	7	CCCC[N@@H+](CC(=O)NC(N)=O)[C@H](C)c1ccccc1
365637207	ZINC000123363679	high	4.04	-18.5	0	277.368	2.045	2	3	7	CCCCN(CC(=O)NC(N)=O)[C@H](C)c1ccccc1
365637211	ZINC000123348865	ref	5.18	-12.43	0	263.341	2.032	1	3	2	O=C([C@H]1CCCCO1)N1CCCC[C@@H]1c1cn[nH]c1
365637222	ZINC000123372759	ref	5.21	-18.81	0	278.287	2.19	2	4	4	Cc1noc(C)c1CCNC(=O)Nc1ccc(F)cn1
365637234	ZINC000123303406	ref	5.87	-38.54	1	291.439	2.124	1	3	6	C[C@H]([NH2+]C[C@H](C)N1CCOCC1)c1ccc(N(C)C)cc1
365637244	ZINC000123385451	ref	6.58	-12.8	0	292.379	2.493	1	3	6	CCC1(CC)[C@@H](N(C)C(=O)c2ccc(C=O)[nH]2)C[C@H]1OC
349536141	ZINC000602431334	mid	8.97	-46.78	1	246.354	3.067	1	2	7	COc1cccc(C[N@@H+](C)C[C@H](C)CCC#N)c1
365637256	ZINC000123401532	ref	3.71	-9.28	0	274.364	2.107	1	3	3	NC(=O)c1cccc2c1CCCN2C[C@@H]1CCCCO1
365637169	ZINC000274364539	ref	4.65	-10.61	0	253.321	1.521	0	3	6	CCN(CC)C(=O)CN(C)Cc1cncc(F)c1
214186751	ZINC000293598966	high	8.07	-52.54	-1	350.375	0.972	1	7	5	COC(=O)Cc1nnc(NC(=O)C23CCC(C(=O)OC)(CC2)CC3)[n-]1
214186754	ZINC000293598966	high	7.97	-53.64	-1	350.375	0.972	1	7	5	COC(=O)Cc1nc(NC(=O)C23CCC(C(=O)OC)(CC2)CC3)n[n-]1
365637177	ZINC000274364539	low	6.83	-47.55	1	253.321	1.521	1	2	6	CCN(CC)C(=O)C[N@H+](C)Cc1cncc(F)c1
365637179	ZINC000274364539	low	6.91	-47.61	1	253.321	1.521	1	2	6	CCN(CC)C(=O)C[N@@H+](C)Cc1cncc(F)c1
214186758	ZINC000293598930	ref	2.92	-23.34	0	372.429	0.044	2	5	2	CC(C)C[C@H]1C(=O)NCCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[nH]cc1-2
214186761	ZINC000293598930	mid	2.7	-52.6	-1	372.429	0.044	1	5	2	CC(C)C[C@H]1C(=O)NCCCN1C(=O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2
299072247	ZINC000459274042	ref	9.78	-42.61	1	319.449	2.569	2	2	6	COc1ccccc1CN(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1
214186763	ZINC000293595074	ref	4.36	-49.95	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1
214186765	ZINC000293595074	mid	3.76	-50.06	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1
214186768	ZINC000293595074	high	1.76	-15.72	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1
185089039	ZINC000096076140	ref	9.53	-44.5	1	298.394	1.373	1	5	3	Cc1cc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n(C)n1
214186772	ZINC000293598493	ref	8.11	-10.06	0	372.425	0.521	0	7	2	Cn1c(=O)c2ccc(C(=O)N3CCOC[C@@H](C4CCC4)C3)nc2n(C)c1=O
214186777	ZINC000293596729	ref	4.59	-19.78	0	372.359	0.609	0	7	5	CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H]1CCN(S(C)(=O)=O)C1
214186779	ZINC000293587631	ref	-0.08	-22.29	0	374.484	0.458	1	5	4	Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@@H](CS(C)(=O)=O)C2)c1C
185089040	ZINC000096076140	mid	9.28	-45.4	1	298.394	1.373	1	5	3	Cc1cc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)n(C)n1
185089042	ZINC000096076140	mid	6.9	-10.91	0	298.394	1.373	0	6	3	Cc1cc(CN2CC[C@@]3(CCN3c3ncccn3)C2)n(C)n1
214186782	ZINC000293590541	ref	2.85	-53.59	1	363.439	0.675	1	4	2	CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2S1(=O)=O
342596271	ZINC000616969590	ref	1.79	-23.09	0	299.33	1.17	2	4	3	COc1ccc2cc(C(=O)N[C@H]3CCNC3=O)c(C)nc2c1
365637170	ZINC000623070465	ref	5.05	-49.4	1	318.402	1.891	2	4	1	O=C(Nc1nc2ccccc2s1)N1CC[C@H]2OCC[NH2+][C@@H]2C1
342596272	ZINC000616969414	ref	2.51	-16.66	0	258.277	1.36	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)oc2ccccc12
230731049	ZINC000414304612	ref	6.68	-37.61	1	320.477	3.406	3	2	8	CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)[C@@H](O)C(C)C
365637180	ZINC000623070465	mid	3.75	-14.73	0	318.402	1.891	2	5	1	O=C(Nc1nc2ccccc2s1)N1CC[C@H]2OCCN[C@@H]2C1
230731055	ZINC000414305980	ref	8.81	-16.79	0	301.496	3.066	0	2	10	CC(C)CCN(CCC(C)C)C(=O)C[S@@](=O)CC1CC1
282122865	ZINC000248975327	mid	2.48	-32.32	1	314.813	1.651	4	3	7	Cc1ccc(NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)c(Cl)c1
230731061	ZINC000414305375	ref	7.31	-43.33	1	301.434	3.318	2	3	7	CC[C@H]([NH2+][C@H](C)c1ccc(-n2cccn2)cc1)[C@@H](O)C(C)C
365637186	ZINC000623070188	ref	2.19	-49.63	1	308.382	1.066	1	5	4	COCc1nc(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)no1
365637194	ZINC000623070903	ref	4.56	-47.8	1	303.362	1.484	2	3	2	CC(=O)c1cccc(NC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c1
365637205	ZINC000623070903	mid	3.26	-12.79	0	303.362	1.484	2	4	2	CC(=O)c1cccc(NC(=O)N2CC[C@H]3OCCN[C@@H]3C2)c1
365637212	ZINC000623070354	ref	3.8	-54.85	1	318.356	1.745	2	4	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3ccccc3F)C2)nn1
178302831	ZINC000237205883	ref	3.68	-52.36	1	357.432	1.789	2	5	7	COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C[NH3+])C1CCCCC1
178302835	ZINC000237220519	ref	2.61	-48.26	1	350.459	1.879	3	4	8	COc1cc(OC)cc([C@@H](O)CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)c1
365637216	ZINC000623070354	high	3.39	-15.46	0	318.356	1.745	2	5	3	NCc1cn([C@H]2CCCN(C(=O)Nc3ccccc3F)C2)nn1
365637220	ZINC000623070703	ref	3.73	-55.24	1	318.356	1.745	2	4	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)nn1
365639302	ZINC000336555675	low	7.92	-100.75	2	253.415	2.224	2	2	3	Cc1ncc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)s1
398245446	ZINC000650857557	ref	5.82	-11.27	0	267.369	1.731	1	3	6	C=CCCOCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@H]1O
230731086	ZINC000414307059	ref	7.07	-18.56	0	322.257	3.36	0	2	6	CN(C)C(=O)CCCC[S@@](=O)c1cc(Cl)ccc1Cl
230731092	ZINC000414305640	ref	10.7	-15.88	0	322.412	3.316	1	4	5	CCn1[nH]c(C)nc1=NCc1ccc(-c2ccccc2)cc1OC
259308351	ZINC000220196031	mid	6.7	-36.34	1	223.36	2.436	2	1	4	C[N@H+](C[C@@H]1CC=CCC1)C[C@H]1CCC[C@@H]1O
342596273	ZINC000616969283	ref	0.63	-26.26	0	290.348	1.065	3	4	3	Cc1nc(-c2c[nH]c(C(=O)N[C@H]3CCNC3=O)c2)cs1
365637171	ZINC000625079776	mid	7.89	-9.02	0	316.445	2.188	0	3	7	CCO[C@@H](CN1CCN(C(=O)Cc2ccccc2)CC1)C1CC1
365637174	ZINC000625079838	ref	5.73	-20.69	0	323.418	2.151	2	5	5	CC(=O)N[C@H](CC(C)C)C(=O)Nc1nc2c(s1)C(=O)CCC2
365637181	ZINC000625082538	ref	4.24	-9.7	0	318.421	2.075	1	5	6	O=C(NCC1CC1)[C@H]1CCCN(Cc2noc(C3CCC3)n2)C1
365637189	ZINC000625082538	low	6.48	-33.6	1	318.421	2.075	2	4	6	O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1
365637193	ZINC000625082538	low	6.45	-36.0	1	318.421	2.075	2	4	6	O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1
365637199	ZINC000625082147	ref	7.87	-21.13	0	321.38	2.112	2	3	5	O=C(CCNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)Nc1ccccn1
349535051	ZINC000093264788	mid	3.14	-9.59	0	255.362	0.313	1	3	4	CC[C@H](C)CN(CC)C(=O)C(=O)N1CCNCC1
214186773	ZINC000337626722	ref	6.86	-37.51	1	296.798	2.177	2	2	6	C[C@H]1CC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1
365637208	ZINC000625081224	ref	7.84	-41.73	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@H](C)O1
349535054	ZINC000093285816	ref	3.82	-9.12	0	269.345	0.285	1	3	5	COCCN1CCN(C(=O)N[C@H](C)C2CC2)CC1=O
365637214	ZINC000625081224	mid	8.38	-40.34	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@H](C)O1
365637219	ZINC000625081126	ref	2.77	-10.72	0	321.483	2.315	1	4	9	CCC(CC)[C@@H](CCNS(=O)(=O)[C@@H]1COC(C)(C)C1)OC
365637225	ZINC000625082098	ref	4.96	-21.53	0	319.405	2.12	2	4	5	CC1(C)C[C@H](C(=O)NCCC(=O)Nc2ccccn2)C(C)(C)O1
230731082	ZINC000450409976	ref	8.24	-14.49	0	307.357	1.65	2	5	6	N#Cc1ccnc(N[C@H](Cc2ccccc2)C(=O)NC2CC2)n1
282122867	ZINC000449153728	high	4.2	-14.05	0	268.332	2.362	2	3	8	CCCN[C@@H](C)C(=O)Nc1cccc(OCCF)c1
214186776	ZINC000337626722	mid	6.93	-37.63	1	296.798	2.177	2	2	6	C[C@H]1CC[N@@H+](CC(=O)NCCOc2cccc(Cl)c2)C1
365637232	ZINC000625079672	ref	4.65	-15.51	0	310.766	2.301	1	6	2	Cn1cc(Cl)c(C(=O)Nc2nc3c(s2)C(=O)CCC3)n1
365637238	ZINC000625083487	ref	5.65	-9.63	0	301.452	2.3	1	3	7	CCO[C@@H](CS(=O)(=O)N[C@H]1CC2CCC1CC2)C1CC1
365637245	ZINC000625079707	ref	8.18	-39.3	1	322.371	2.288	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@H+](C[C@H]1CCOC1)C1CC1
365637250	ZINC000625079707	mid	8.14	-39.97	1	322.371	2.288	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@@H+](C[C@H]1CCOC1)C1CC1
365637253	ZINC000625079707	high	5.74	-10.56	0	322.371	2.288	0	3	8	CCCN(CC(F)(F)F)C(=O)CN(C[C@H]1CCOC1)C1CC1
342596274	ZINC000616969467	ref	0.73	-16.27	0	285.303	1.268	2	4	3	Cc1oc(-c2ccccc2)nc1C(=O)N[C@@H]1CCNC1=O
214186775	ZINC000278487680	mid	2.02	-31.8	0	312.32	2.731	1	4	7	COc1cccc([C@@H](C[N-]c2nnc(C(F)F)o2)[NH+](C)C)c1
214186780	ZINC000278488387	ref	3.9	-17.15	0	313.419	2.082	1	4	6	COC(C)(C)CC(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1
214186783	ZINC000278488019	ref	6.56	-9.58	0	310.394	2.171	1	4	6	COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CCOC[C@H]1C
214186787	ZINC000278487591	ref	9.91	-54.3	1	315.396	2.446	1	4	3	Cc1nc(F)ccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1
214186790	ZINC000278487591	mid	9.37	-54.79	1	315.396	2.446	1	4	3	Cc1nc(F)ccc1C[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1
214186792	ZINC000278487591	mid	7.47	-14.44	0	315.396	2.446	0	5	3	Cc1nc(F)ccc1CN1CCC[C@H](c2nnc3n2CCC3)C1
214186795	ZINC000278488630	ref	3.22	-7.93	0	313.825	2.499	1	4	8	COC[C@H](C)OC[C@@H](O)CN1CC[C@H]1c1ccc(Cl)cc1
214186798	ZINC000278488630	mid	6.09	-43.51	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@H]1c1ccc(Cl)cc1
214186800	ZINC000278488630	mid	5.56	-41.56	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@H]1c1ccc(Cl)cc1
365637172	ZINC000641604737	ref	6.1	-13.34	0	299.44	1.875	1	4	6	C[C@H]1C[C@@H](C)C[C@H](CNS(=O)(=O)CCn2ccnc2)C1
214186802	ZINC000278488804	ref	4.62	-6.96	0	318.417	1.355	2	3	5	C[C@H]1CCCN(C(=O)C(=O)NC[C@H](O)CCc2ccccc2)C1
214186805	ZINC000278487873	ref	5.38	-11.83	0	322.38	2.406	0	4	3	C[C@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
214186808	ZINC000278487259	ref	1.64	-10.61	0	306.406	2.695	4	3	6	C[C@H](NC(=O)NCC1(CCO)CCCC1)c1cccc(O)c1
342596275	ZINC000616969496	ref	3.64	-19.84	0	297.358	1.976	2	3	3	CC(C)c1cc(C(=O)N[C@@H]2CCNC2=O)c2ccccc2n1
214186812	ZINC000278488754	ref	8.41	-97.53	2	315.417	1.604	2	2	5	C[NH+]1CCC(C)(C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1
214186815	ZINC000278488998	ref	9.18	-15.26	0	324.424	3.433	1	2	4	Cc1ccc([C@H]2C[C@H](C)N(C(=O)CCc3ccc(=O)[nH]c3)C2)cc1
214186818	ZINC000278488044	ref	5.48	-10.97	0	307.39	2.637	1	4	5	COc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)ccc1OC(C)C
214186822	ZINC000278487647	ref	6.03	-48.77	1	319.401	2.123	2	4	5	C[C@@H](O)C1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1
214186825	ZINC000278487647	high	3.66	-10.99	0	319.401	2.123	1	5	5	C[C@@H](O)C1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1
365637176	ZINC000641604737	low	6.61	-43.26	1	299.44	1.875	1	3	6	C[C@H]1C[C@@H](C)C[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1
365637185	ZINC000641604731	ref	-1.05	-9.12	0	251.33	1.432	1	5	4	CCC(C)(C)c1nnc(N2C[C@@H]3[C@@H](CO)[C@@H]3C2)o1
365637188	ZINC000641604472	ref	2.65	-20.61	0	288.336	1.178	2	7	4	CCc1nnc(CNc2ccc3nc[nH]c(=O)c3n2)s1
365637195	ZINC000641604705	ref	2.33	-5.41	0	280.343	1.977	1	4	2	O[C@@H]1CCCC[C@H]1[C@@H]1COCCN1c1ccncc1F
365637200	ZINC000641604705	low	2.8	-36.79	1	280.343	1.977	1	3	2	O[C@@H]1CCCC[C@H]1[C@@H]1COCCN1c1cc[nH+]cc1F
398245449	ZINC000650858468	ref	-1.85	-10.63	0	255.318	1.271	3	4	7	CCC[C@@H](C)[C@H](CO)NC(=O)NCc1cocn1
365637206	ZINC000641604288	ref	2.1	-16.89	0	274.324	1.115	3	5	4	O=c1[nH]cnc2ccc(N[C@@H](CO)C3CCCC3)nc12
398245453	ZINC000650857180	ref	-1.07	-12.25	0	299.396	1.046	3	5	6	CCc1nc(CNC(=O)NCC[C@]2(O)CCOC2)cs1
365637213	ZINC000641604005	ref	4.98	-11.74	0	281.381	1.366	0	5	2	C[C@H]1CN(c2cc(C3CC3)ncn2)C[C@H](C)S1(=O)=O
365637218	ZINC000641604041	ref	1.33	-9.88	0	291.413	1.29	1	4	5	COCC1(NS(=O)(=O)[C@H]2CCOC[C@H]2C)CCCC1
398245457	ZINC000650858120	ref	2.12	-13.35	0	299.396	1.304	2	5	4	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)c1csc(C)n1
365637226	ZINC000641604307	ref	4.61	-21.17	0	296.334	1.687	1	6	2	Cc1cnn([C@H]2CCN(c3ccc4nc[nH]c(=O)c4n3)C2)c1
398245461	ZINC000650857953	ref	-0.24	-14.16	0	293.298	1.735	3	4	5	C[C@H](O)[C@H](NC(=O)NCc1cocn1)c1ccccc1F
365637231	ZINC000641603905	ref	2.24	-13.18	0	273.292	1.185	2	4	2	Cc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@]4(O)C3)[nH]n2)o1
365637237	ZINC000641604717	ref	2.72	-48.84	-1	271.675	1.391	1	3	1	O=C(c1cc(F)cc(Cl)c1[O-])N1C[C@H]2C[C@@]2(O)C1
365637243	ZINC000641604717	low	1.76	-10.49	0	271.675	1.391	2	3	1	O=C(c1cc(F)cc(Cl)c1O)N1C[C@H]2C[C@@]2(O)C1
365637251	ZINC000641605914	ref	0.92	-10.89	0	283.34	1.112	2	3	6	C[C@@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)C1(CO)CC1
178302852	ZINC000057351729	ref	2.22	-48.88	-1	240.284	1.437	0	5	1	Cc1cc2nc(S(=O)(=O)[O-])n(C)c2cc1C
365637258	ZINC000641604727	ref	5.17	-9.83	0	275.323	1.841	1	2	2	O=C(N1C[C@@H]2C[C@]2(O)C1)C1(c2ccc(F)cc2)CCC1
342079475	ZINC000625303798	mid	8.54	-48.12	1	288.395	1.254	1	3	3	Cn1cc(C[N@@H+]2CCCN(C(=O)C34CC(C3)C4)CC2)cn1
282122868	ZINC000248972794	ref	2.19	-14.52	0	314.426	1.955	3	4	4	C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N[C@@H]1CC[C@@H](O)CC1
282122871	ZINC000248976858	ref	5.27	-18.33	0	322.792	1.94	2	3	5	NC(=O)[C@@H]1CC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)O1
190493851	ZINC000269432302	ref	6.49	-7.1	0	254.333	3.407	1	3	3	CC1(C)Cc2cc(NCc3ccccn3)ccc2O1
365637178	ZINC000617439570	ref	2.61	-15.93	0	250.302	0.705	2	5	2	C[C@H]1C[C@@H](NC(=O)C2(O)CCCC2)c2ncnn21
349535052	ZINC000602430157	mid	9.87	-53.38	1	247.346	1.682	1	4	6	C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1Cn1cncn1
365637182	ZINC000617435448	ref	1.11	-20.42	0	286.295	0.208	2	6	3	C[C@H]1C[C@@H](NC(=O)c2ccc(C(N)=O)cn2)c2ncnn21
342596276	ZINC000616969728	ref	3.24	-20.4	0	276.336	1.159	2	3	6	Cc1ccccc1OCCCC(=O)N[C@H]1CCNC1=O
365637187	ZINC000617436244	ref	2.8	-28.0	0	294.359	0.627	3	5	6	CCCC[C@H](NC(N)=O)C(=O)N[C@H]1C[C@H](C)n2ncnc21
398245451	ZINC000649443772	ref	5.15	-6.23	0	241.334	3.249	2	2	3	CC(C)(O)Cc1ccc(-c2ccc(N)cc2)cc1
349535055	ZINC000602430760	ref	8.6	-42.96	1	238.331	1.954	1	3	5	COC(=O)[C@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N
365637192	ZINC000617437702	ref	5.07	-25.42	0	283.295	0.757	1	7	2	C[C@H]1C[C@@H](NC(=O)c2nccn3ccnc23)c2ncnn21
136229259	ZINC000184905304	ref	9.42	-7.97	0	245.366	3.556	0	1	5	C=C(C)C[C@H](C)C(=O)N(C)Cc1ccc(C)cc1
342596277	ZINC000197122344	ref	1.45	-12.98	0	265.309	1.423	2	4	5	O=C(Nc1ccc(OCCO)cc1)C1CCOCC1
365637197	ZINC000617438192	ref	5.87	-46.59	1	251.334	0.742	2	4	5	CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
342600546	ZINC000616999713	ref	6.09	-41.0	1	290.411	1.944	2	3	3	Cc1ncc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)n1
342600547	ZINC000616999713	mid	6.03	-40.64	1	290.411	1.944	2	3	3	Cc1ncc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)n1
342600548	ZINC000616999817	ref	2.79	-36.36	1	265.357	1.833	2	3	3	Cc1nc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)co1
342600549	ZINC000616999817	mid	2.8	-36.77	1	265.357	1.833	2	3	3	Cc1nc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)co1
295666357	ZINC000126447568	ref	9.85	-34.04	1	342.483	3.145	2	2	6	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H](C1CC1)[NH+]1CCCC1
365637203	ZINC000617438192	mid	5.88	-46.65	1	251.334	0.742	2	4	5	CCC[N@@H+](C)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
295666360	ZINC000126447568	high	7.37	-9.13	0	342.483	3.145	1	3	6	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@@H](C1CC1)N1CCCC1
212168263	ZINC000335491474	mid	4.1	-46.07	-1	255.314	2.155	1	3	2	C[C@@H]1C[C@@H](NC(=O)c2c([O-])cccc2F)CS1
136229260	ZINC000292812175	ref	1.71	-32.12	-1	217.137	1.876	0	1	4	C=CCC(F)(F)C(=O)[N-]CC(F)(F)F
342600550	ZINC000590841520	ref	4.66	-11.51	0	271.336	1.839	1	3	5	CCC(C)(C)OCCNC(=O)N1CC[C@](F)(C#N)C1
178302840	ZINC000082802946	ref	1.7	-58.34	1	294.376	0.177	2	3	2	O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[NH2+]Cc2ccccc21
342596278	ZINC000616969940	ref	2.57	-15.55	0	276.267	1.499	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)oc2ccc(F)cc12
349535053	ZINC000594968746	ref	7.03	-43.85	1	297.439	2.639	2	3	8	COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)C2(CO)CC2)C1
282122870	ZINC000449153724	ref	5.7	-36.41	1	253.411	2.24	2	2	7	CS[C@@H](CO)[C@H](C)[NH2+]CCc1cccc(C)c1
214186778	ZINC000337626722	high	4.09	-7.48	0	296.798	2.177	1	3	6	C[C@H]1CCN(CC(=O)NCCOc2cccc(Cl)c2)C1
214186781	ZINC000337625097	ref	7.22	-18.21	0	288.391	2.263	2	2	6	CCNC(=O)CC(=O)N[C@]1(c2cccc(C)c2)C[C@H]1CC
214186784	ZINC000337627567	ref	2.32	-25.72	0	273.358	0.072	1	5	7	C[C@H](CC[S@](C)=O)NC(=O)COc1cnn(C)c1
342596279	ZINC000616970760	ref	3.08	-22.32	0	282.727	1.112	2	3	4	C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCNC1=O
214186786	ZINC000337624798	ref	8.82	-12.5	0	299.378	2.481	2	4	4	Cc1ccc(CNC(=O)Nc2nc(C)cc(N(C)C)n2)cc1
349535057	ZINC000594969706	ref	7.52	-51.63	1	291.395	2.866	1	3	5	Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCN1C(C)(C)C
214186789	ZINC000337626363	ref	-3.48	-15.22	0	286.357	-0.892	2	5	5	Cn1cc(S(N)(=O)=O)cc1C(=O)NCCN1CCC1
178302842	ZINC000082802946	high	0.22	-16.69	0	294.376	0.177	2	4	2	O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CNCc2ccccc21
178302844	ZINC000082802926	ref	5.94	-48.68	1	282.343	2.521	2	2	3	COc1cccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)c1
178302848	ZINC000082802926	high	4.29	-9.62	0	282.343	2.521	2	3	3	COc1cccc(NC(=O)[C@H]2CNCc3ccccc32)c1
178302851	ZINC000082802928	ref	5.92	-49.8	1	282.343	2.521	2	2	3	COc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1
214186791	ZINC000337626363	mid	-0.3	-48.29	1	286.357	-0.892	3	4	5	Cn1cc(S(N)(=O)=O)cc1C(=O)NCC[NH+]1CCC1
349535060	ZINC000594969706	mid	9.76	-41.89	1	291.395	2.866	2	3	5	Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@@H+]1C(C)(C)C
214186796	ZINC000337625040	ref	4.22	-16.53	0	278.352	0.76	1	4	6	CN(CCOCCO)C(=O)c1ccc2c(c1)N(C)CC2
214186799	ZINC000337626514	ref	8.22	-12.46	0	291.399	2.409	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@H]2CCC[C@H]2C)n1
214186804	ZINC000337626573	ref	8.58	-43.53	1	265.353	3.078	1	3	4	CCC1(C)CC[NH+](Cc2ccc(C(=O)OC)o2)CC1
178302853	ZINC000082802928	high	4.27	-10.2	0	282.343	2.521	2	3	3	COc1ccc(NC(=O)[C@H]2CNCc3ccccc32)cc1
349535063	ZINC000594969706	mid	9.43	-39.77	1	291.395	2.866	2	3	5	Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CC[N@H+]1C(C)(C)C
365637184	ZINC000274365878	ref	2.11	-37.4	1	296.411	1.116	2	4	12	CCN(CCO)CC[NH2+]Cc1ccccc1OCCOC
222608419	ZINC000222410459	ref	6.13	-25.16	0	376.434	2.43	1	5	5	COC(=O)c1ccc(C)c(NC(=O)c2cccc(N(C)S(C)(=O)=O)c2)c1
214186785	ZINC000293594380	ref	6.43	-22.32	0	352.347	0.748	1	7	4	COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1
214186788	ZINC000293594853	ref	4.19	-50.86	1	364.446	0.471	4	4	10	C[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)OCc1ccccc1)C[NH+](C)C
365637191	ZINC000274365878	mid	2.83	-33.83	1	296.411	1.116	3	4	12	CC[N@H+](CCO)CCNCc1ccccc1OCCOC
365637196	ZINC000274365878	mid	2.85	-33.75	1	296.411	1.116	3	4	12	CC[N@@H+](CCO)CCNCc1ccccc1OCCOC
365637198	ZINC000274365878	low	4.2	-107.21	2	296.411	1.116	3	3	12	CC[N@H+](CCO)CC[NH2+]Cc1ccccc1OCCOC
230731116	ZINC000450410330	ref	5.72	-10.84	0	303.314	1.877	2	5	5	COC(=O)c1cccc(NC(=O)C2(C(=O)C3CC3)CC2)c1O
365637202	ZINC000274365878	low	4.22	-109.58	2	296.411	1.116	3	3	12	CC[N@@H+](CCO)CC[NH2+]Cc1ccccc1OCCOC
365637204	ZINC000274365878	high	0.73	-7.06	0	296.411	1.116	2	5	12	CCN(CCO)CCNCc1ccccc1OCCOC
365637210	ZINC000274364672	ref	3.17	-20.94	0	298.408	1.708	0	4	6	CC(C)Oc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)ccn1
365637217	ZINC000274364918	ref	3.5	-18.44	0	273.745	1.539	0	4	3	CN(Cn1nc(Cl)c2ccccc21)S(C)(=O)=O
365637223	ZINC000274364423	ref	3.69	-6.52	0	276.34	1.358	2	4	3	C[C@H]1CCC[C@H](CNC(=O)C(=O)Nc2cncnc2)C1
365637228	ZINC000274365328	ref	-0.32	-8.57	0	295.339	1.094	2	5	4	COc1ncccc1NC(=O)N1CCOC[C@@H]1C[C@@H](C)O
230731137	ZINC000450411347	ref	5.16	-13.46	0	317.393	1.325	1	6	7	CO[C@@H]1CCC[C@@H]1CNC(=O)c1ccn(CCn2cccn2)n1
365637236	ZINC000274365329	ref	-0.73	-9.24	0	295.339	1.094	2	5	4	COc1ncccc1NC(=O)N1CCOC[C@@H]1C[C@H](C)O
365637242	ZINC000274365641	ref	0.87	-12.96	0	277.271	1.176	1	5	7	CO[C@@H](C)CCNC(=O)c1cc(OC(F)F)n(C)n1
365637249	ZINC000274364973	ref	0.76	-10.72	0	274.28	1.067	2	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1cn[nH]n1)CCO2
178302841	ZINC000237208369	ref	4.83	-43.67	1	362.474	1.356	3	4	10	COCC[NH2+]CC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1
365637255	ZINC000274364973	mid	0.82	-13.07	0	274.28	1.067	2	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1cnn[nH]1)CCO2
365637259	ZINC000274364973	high	0.57	-42.57	-1	274.28	1.067	1	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1c[n-]nn1)CCO2
282122875	ZINC000449153505	ref	7.58	-46.6	1	250.386	2.308	1	1	3	CC(C)N1C[C@@H]([NH2+][C@@H]2CCCC23CCC3)CC1=O
365637209	ZINC000617438192	high	3.63	-16.52	0	251.334	0.742	1	5	5	CCCN(C)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365637215	ZINC000617435484	ref	5.0	-23.02	0	282.344	0.842	1	6	7	CCOCCO[C@H](C)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365637221	ZINC000617438375	ref	1.44	-15.39	0	274.284	0.512	1	7	3	COc1ccc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)nn1
230731120	ZINC000425463987	ref	5.53	-40.98	1	311.47	2.386	3	2	9	C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH+](C(C)C)C(C)C
365637229	ZINC000617438098	ref	4.54	-26.38	0	297.322	0.996	1	7	2	C[C@H]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)c2ncnn21
365637235	ZINC000617435693	ref	4.85	-22.06	0	273.296	0.874	1	6	4	C[C@@H]1C[C@@H](NC(=O)COc2cccnc2)c2ncnn21
365637241	ZINC000617435449	ref	1.11	-20.41	0	286.295	0.208	2	6	3	C[C@@H]1C[C@H](NC(=O)c2ccc(C(N)=O)cn2)c2ncnn21
365637246	ZINC000617439188	ref	4.24	-26.33	0	293.371	0.952	2	5	6	CC(C)CC(=O)NCCC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365637254	ZINC000617437057	ref	3.86	-16.85	0	263.345	0.884	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCN2C)c2ncnn21
365637261	ZINC000617437057	mid	6.09	-45.88	1	263.345	0.884	2	4	2	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)c2ncnn21
230731142	ZINC000425462639	ref	2.11	-14.82	0	315.345	2.217	1	5	7	C[S@@](=O)C[C@H](NCc1nc(C(F)F)no1)c1ccccc1
365637263	ZINC000617437057	mid	5.92	-46.03	1	263.345	0.884	2	4	2	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)c2ncnn21
365637270	ZINC000617438656	ref	3.8	-15.65	0	269.345	0.429	1	3	4	CN(C[C@H]1CCCCO1)C(=O)CN1CCCNC1=O
230731151	ZINC000425458248	ref	6.04	-11.25	0	302.353	2.418	2	3	4	C[C@H](NC(=O)N[C@@H]1C[C@@]1(F)c1ccccc1)c1cnn(C)c1
365637280	ZINC000617436988	ref	4.29	-17.42	0	293.371	0.952	2	5	6	CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365637288	ZINC000617437636	ref	3.67	-17.63	0	279.344	0.706	2	5	6	CCCNC(=O)CCC(=O)N[C@H]1C[C@@H](C)n2ncnc21
342596280	ZINC000616970123	ref	3.64	-16.92	0	278.377	1.491	2	3	2	C[C@@H]1CCc2sc(C(=O)N[C@@H]3CCNC3=O)cc2C1
365637297	ZINC000617436990	ref	4.29	-17.44	0	293.371	0.952	2	5	6	CC(C)CCC(=O)NCC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365637303	ZINC000617438469	ref	1.93	-15.18	0	265.313	0.755	2	3	4	CN(C[C@@H]1CCCCO1)C(=O)c1c[nH]c(C(N)=O)c1
365637306	ZINC000617435483	ref	5.0	-23.41	0	282.344	0.842	1	6	7	CCOCCO[C@H](C)C(=O)N[C@H]1C[C@H](C)n2ncnc21
365637312	ZINC000617437060	ref	3.87	-16.19	0	263.345	0.884	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCN2C)c2ncnn21
214186793	ZINC000293591063	ref	3.46	-13.16	0	366.374	0.819	3	6	7	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C(C)C
214186797	ZINC000293600342	ref	2.33	-21.65	0	355.394	0.864	2	4	2	CO[C@@H]1[C@@H]2C[C@@H]3[C@@H]1N(C(=O)c1ccc4c(c1)NC(=O)CNC4=O)C[C@@H]3C2
214186801	ZINC000293592111	ref	-1.39	-19.49	0	359.448	0.764	2	6	8	CCc1nc(C)c(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)o1
214186803	ZINC000293592651	ref	2.31	-18.07	0	370.427	0.572	0	6	4	COc1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc2c1OCCO2
214186806	ZINC000293598955	ref	2.95	-24.87	0	368.381	0.86	0	5	4	Cc1nn(CC(F)(F)F)cc1C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
214186809	ZINC000293589536	ref	3.88	-44.04	1	355.385	0.608	3	3	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CNC(=O)c1cc(F)cc(F)c1
342596281	ZINC000616970728	ref	4.1	-17.77	0	260.337	1.503	2	2	4	CC(C)Cc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
214186811	ZINC000293589536	mid	4.12	-43.34	1	355.385	0.608	3	3	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CNC(=O)c1cc(F)cc(F)c1
365637224	ZINC000576599897	ref	8.47	-12.08	0	241.306	3.997	0	2	4	CC(C)(CC#N)CSc1ccc(F)cc1F
214186813	ZINC000293589536	high	2.48	-9.92	0	355.385	0.608	2	4	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CNC(=O)c1cc(F)cc(F)c1
214186816	ZINC000293600034	ref	2.15	-17.07	0	372.429	0.966	3	7	5	CCn1nnnc1-c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)c1
214186819	ZINC000293592380	ref	3.26	-17.92	0	364.427	0.617	1	6	2	Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cn2ccnc12
214186821	ZINC000293592380	mid	3.76	-41.24	1	364.427	0.617	1	5	2	Cc1cc(NC(=O)C(=O)N2CCC[C@H](S(C)(=O)=O)C2)cn2cc[nH+]c12
214186824	ZINC000293589114	ref	3.83	-17.1	0	372.36	0.459	1	7	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccc(C#N)c(F)c1)C2
214186829	ZINC000293590573	ref	3.84	-53.32	1	353.444	0.778	2	4	6	CCN1C(=O)c2ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc2S1(=O)=O
214186832	ZINC000293597197	ref	1.99	-14.19	0	355.416	0.323	1	6	4	CNC(=O)[C@H]1CCCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)C1
214186836	ZINC000293594654	ref	2.78	-19.91	0	356.444	0.818	0	5	7	COCCOc1cccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1
214186840	ZINC000293590530	ref	3.1	-56.62	1	363.439	0.675	1	4	2	CCN1C(=O)c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2S1(=O)=O
214186844	ZINC000293596730	ref	4.63	-16.56	0	372.359	0.609	0	7	5	CN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H]1CCN(S(C)(=O)=O)C1
365637227	ZINC000623070703	high	3.33	-15.5	0	318.356	1.745	2	5	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)nn1
365637233	ZINC000623069955	ref	2.61	-97.08	2	306.41	1.066	4	2	4	C[NH+](C)Cc1cccc(NC(=O)N2CCC([NH3+])(CO)CC2)c1
343994031	ZINC000079914889	ref	6.53	-14.41	0	278.396	2.298	2	2	6	CCCNC(=O)C1(NC(=O)/C=C/C2CC2)CCCCC1
290622693	ZINC000430003654	ref	3.66	-26.14	0	346.449	0.506	1	5	4	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@H]2CCCC[C@H]2C(=O)OC)C1
365637240	ZINC000623069955	high	0.14	-49.82	1	306.41	1.066	3	3	4	CN(C)Cc1cccc(NC(=O)N2CCC([NH3+])(CO)CC2)c1
365637247	ZINC000623069699	ref	0.96	-10.65	0	302.334	1.504	2	6	5	COCc1nc(C(=O)NCc2cccc3c2CCCN3)no1
365637257	ZINC000623070462	ref	4.92	-48.97	1	318.402	1.891	2	4	1	O=C(Nc1nc2ccccc2s1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1
365637264	ZINC000623070462	mid	3.62	-14.29	0	318.402	1.891	2	5	1	O=C(Nc1nc2ccccc2s1)N1CC[C@@H]2OCCN[C@@H]2C1
178302843	ZINC000237208369	high	3.49	-18.08	0	362.474	1.356	3	5	10	COCCNCC(=O)N[C@@H](C)CC(=O)Nc1cccc(N2CCCC2)c1
365637274	ZINC000623069790	ref	5.14	-93.82	2	320.437	1.638	4	2	7	COC[C@@]1(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CCC[NH2+]1
365637281	ZINC000623069790	high	2.67	-47.01	1	320.437	1.638	3	3	7	COC[C@@]1(CNC(=O)Nc2cccc(CN(C)C)c2)CCC[NH2+]1
365637295	ZINC000623070848	ref	5.21	-57.95	1	322.434	1.616	2	4	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@H]2OCC[NH2+][C@@H]2C1
432002748	ZINC000129215405	ref	7.43	-47.26	1	313.392	3.057	3	1	8	CCC[N@H+](CC)CCNC(=O)N[C@@H](C)c1cccc(F)c1F
365637301	ZINC000623070848	mid	3.91	-13.57	0	322.434	1.616	2	5	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@H]2OCCN[C@@H]2C1
178305423	ZINC000120143604	low	8.07	-34.08	1	246.31	2.416	0	3	3	Cc1cc2[nH+]cn(CCC3OCCO3)c2cc1C
282122876	ZINC000248972069	ref	2.78	-11.63	0	319.467	1.924	1	4	4	C[C@@H]1OCC[C@@H]1S(=O)(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C
282122878	ZINC000248971986	ref	2.79	-12.73	0	311.403	1.779	1	4	4	COc1cccc2c1CC[C@@H]2NS(=O)(=O)[C@H]1CCO[C@@H]1C
365637310	ZINC000623070845	ref	5.08	-47.39	1	322.434	1.616	2	4	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1
365637319	ZINC000623070845	mid	3.77	-13.17	0	322.434	1.616	2	5	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@@H]2OCCN[C@@H]2C1
349535056	ZINC000602430760	mid	8.13	-42.2	1	238.331	1.954	1	3	5	COC(=O)[C@H]1CCCC[N@H+]1C[C@@H](C)CCC#N
432002750	ZINC000129215405	mid	7.4	-47.37	1	313.392	3.057	3	1	8	CCC[N@@H+](CC)CCNC(=O)N[C@@H](C)c1cccc(F)c1F
365637230	ZINC000576605484	ref	7.36	-16.6	0	243.314	1.717	2	3	3	c1nc2[nH][nH]cc-2c(=N[C@@H](C2CCC2)C2CC2)n1
398245452	ZINC000649440735	ref	6.28	-3.74	0	233.355	3.161	1	2	3	C[C@@H](O)CCN1CCC[C@@H](C)c2ccccc21
342596282	ZINC000616970738	ref	4.35	-16.33	0	260.337	1.186	2	2	5	CCc1ccc(CCC(=O)N[C@@H]2CCNC2=O)cc1
398245454	ZINC000649440660	ref	4.85	-4.88	0	200.665	2.538	0	2	4	COCCc1ccc(OC)c(Cl)c1
199273077	ZINC000181262389	mid	7.93	-42.7	1	315.461	2.069	2	2	5	Cc1cc(C)cc(/C=C/C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c1
342596283	ZINC000616970707	ref	4.11	-17.61	0	260.337	1.575	2	2	5	CCC[C@@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
365637239	ZINC000576605484	high	7.2	-31.63	-1	243.314	1.717	1	3	3	c1nc2[nH][n-]cc-2c(=N[C@@H](C2CCC2)C2CC2)n1
365637248	ZINC000576602008	ref	6.84	-12.4	0	245.326	2.7	2	2	2	Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]3C[C@H]23)nc1
365637262	ZINC000175990847	ref	6.6	-14.12	0	206.249	1.098	2	3	3	Cc1nc(NC(=O)[C@H]2C[C@H]2C2CC2)n[nH]1
365637272	ZINC000175990847	mid	7.12	-9.86	0	206.249	1.098	2	3	3	Cc1nnc(NC(=O)[C@H]2C[C@H]2C2CC2)[nH]1
365637276	ZINC000175990847	low	6.62	-8.75	0	206.249	1.098	2	3	3	Cc1n[nH]c(NC(=O)[C@H]2C[C@H]2C2CC2)n1
365637286	ZINC000576604772	ref	2.79	-9.08	0	220.272	0.551	2	3	4	C[C@H](CC(=O)NCC#CCO)n1cccc1
365637298	ZINC000576605246	ref	5.71	-43.1	1	230.377	1.338	2	2	5	CC[N@@H+]1CC[C@@H](NC(=O)CSC(C)C)C1
230731181	ZINC000450409331	ref	5.76	-16.17	0	316.405	1.948	1	5	7	Cc1nn(C)c(C)c1CCCNC(=O)[C@@H](C)Oc1ccccn1
295666358	ZINC000412987168	high	5.51	-53.66	-1	317.37	2.534	0	6	5	COC(=O)c1cccnc1SCc1cc(=O)[n-]c(C2CC2)n1
230731187	ZINC000450409875	ref	4.86	-15.24	0	312.454	1.938	2	3	9	CC(=O)NC[C@H](CC(=O)N1CCC[C@@H]1CCCO)CC(C)C
365637308	ZINC000576605246	mid	5.82	-43.39	1	230.377	1.338	2	2	5	CC[N@H+]1CC[C@@H](NC(=O)CSC(C)C)C1
230731193	ZINC000450408999	ref	4.57	-10.16	0	314.389	1.435	2	5	9	C=CC[C@@H](CO)CNC(=O)c1cn(CCc2ccccc2)nn1
365637313	ZINC000576605246	high	3.17	-8.51	0	230.377	1.338	1	3	5	CCN1CC[C@@H](NC(=O)CSC(C)C)C1
136229261	ZINC000292812175	mid	3.25	-3.86	0	217.137	1.876	1	1	4	C=CCC(F)(F)C(=O)NCC(F)(F)F
365637320	ZINC000576605058	ref	2.34	-10.6	0	238.291	0.285	1	5	3	CCn1nncc1C(=O)N1CCC[C@@]1(C)CO
342596284	ZINC000616970007	ref	1.57	-15.92	0	279.148	1.673	2	3	2	O=C(N[C@@H]1CCNC1=O)c1cc(Cl)sc1Cl
365637332	ZINC000576599718	ref	6.63	-42.33	1	249.358	1.776	1	3	4	Cc1ncc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)n1C
365637339	ZINC000576599718	low	7.1	-100.6	2	249.358	1.776	1	2	4	Cc1[nH+]cc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)n1C
365637252	ZINC000354710265	ref	7.54	-14.19	0	299.378	1.21	1	5	3	CC1(C)C[C@H]1C(=O)N1CC[C@H](Nc2ccc3nccn3n2)C1
214186807	ZINC000337626573	high	6.23	-6.04	0	265.353	3.078	0	4	4	CCC1(C)CCN(Cc2ccc(C(=O)OC)o2)CC1
178302846	ZINC000237218843	ref	10.4	-56.77	0	367.405	1.945	1	6	8	COc1ccccc1C[C@@H](CNC(=O)Cc1cn2ccccc2n1)C(=O)[O-]
214186810	ZINC000337627645	ref	5.2	-12.94	0	290.367	0.792	1	3	4	Cc1n[nH]c(C)c1CCC(=O)N1CCN(C2CC2)C(=O)C1
178302849	ZINC000237218843	low	10.4	-56.77	0	367.405	1.945	1	5	8	COc1ccccc1C[C@@H](CNC(=O)Cc1cn2ccccc2[nH+]1)C(=O)[O-]
214186814	ZINC000337628029	ref	1.52	-19.41	0	292.357	-0.232	1	5	5	COC(=O)CCCNC(=O)N1CC[C@@H](S(C)(=O)=O)C1
342596285	ZINC000616970709	ref	4.11	-17.09	0	260.337	1.575	2	2	5	CCC[C@H](C(=O)N[C@H]1CCNC1=O)c1ccccc1
214186817	ZINC000337624334	ref	8.51	-12.34	0	289.383	2.329	2	4	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@H]2CC=CCC2)n1
214186820	ZINC000337626014	ref	-0.75	-21.01	0	296.389	-0.54	2	5	9	CCS(=O)(=O)C[C@@H](C)NC(=O)N(C)CCOCCO
214186823	ZINC000337626543	ref	1.67	-43.92	1	275.349	-0.449	4	4	8	COC(=O)CCCNC(=O)NC[C@](C)(O)C[NH+](C)C
214186826	ZINC000337626543	high	-0.21	-10.51	0	275.349	-0.449	3	5	8	COC(=O)CCCNC(=O)NC[C@](C)(O)CN(C)C
214186828	ZINC000337624989	ref	6.01	-8.97	0	265.235	2.038	2	3	4	CO[C@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)C(C)C
178302850	ZINC000237202512	ref	6.61	-45.94	1	354.454	1.987	2	3	5	CN(C(=O)CCCc1nc2ccccc2c(=O)[nH]1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
178302854	ZINC000237204734	ref	6.38	-92.4	2	356.474	1.544	3	4	6	Cc1c(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)nnn1C1CC[NH2+]CC1
178302855	ZINC000237204734	high	3.85	-51.37	1	356.474	1.544	2	5	6	Cc1c(C(=O)NC[C@H](c2ccccc2)N(C)C)nnn1C1CC[NH2+]CC1
398245456	ZINC000649440638	ref	8.1	-9.06	0	238.29	3.053	0	3	1	O=C1CCCCc2ccc(-c3cncnc3)cc21
214186831	ZINC000337624989	mid	5.28	-4.75	0	265.235	2.038	2	3	4	CO[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)C(C)C
178302857	ZINC000237214593	ref	5.72	-41.53	1	354.248	1.352	1	3	3	CN(C(=O)Cn1cc(Br)ccc1=O)C1C[C@@H]2CC[C@H](C1)[NH2+]2
214186833	ZINC000337626580	ref	0.38	-17.47	0	291.373	-0.548	1	4	3	CCS(=O)(=O)N1CCN(C(=O)N[C@H]2CCOC2)CC1
295666359	ZINC000412985357	ref	6.64	-10.7	0	304.321	2.963	0	5	2	CC1(C)CCC[C@H](n2nc(-c3ccc(F)cc3)oc2=O)C1=O
365637266	ZINC000354710146	ref	4.96	-41.63	1	270.417	1.632	3	2	6	CC(C)C[C@@H](C)CC(=O)NCC1(O)CC[NH+](C)CC1
365637260	ZINC000625082764	ref	4.56	-11.27	0	324.446	2.158	0	4	3	CC1(C)C[C@H](S(=O)(=O)N2CCC(c3ccccn3)CC2)CO1
365637267	ZINC000625083424	ref	6.66	-10.24	0	303.406	2.49	0	3	1	C[C@H]1CN(C(=O)N2CCC(c3ccccn3)CC2)C[C@@H](C)O1
343994032	ZINC000079909869	ref	3.93	-11.83	0	292.36	2.277	1	4	5	C[C@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cccnc2)o1
365637273	ZINC000625082105	ref	4.89	-22.67	0	319.405	2.12	2	4	5	CC1(C)C[C@@H](C(=O)NCCC(=O)Nc2ccccn2)C(C)(C)O1
365637284	ZINC000625080988	ref	5.6	-34.93	1	320.437	2.024	1	5	5	C1CC(c2nc(CN3CCC[N@@H+](C[C@@H]4CCCO4)CC3)no2)C1
365637289	ZINC000625080988	mid	5.27	-34.63	1	320.437	2.024	1	5	5	C1CC(c2nc(CN3CCC[N@H+](C[C@@H]4CCCO4)CC3)no2)C1
365637294	ZINC000625080988	high	3.78	-6.54	0	320.437	2.024	0	6	5	C1CC(c2nc(CN3CCCN(C[C@@H]4CCCO4)CC3)no2)C1
412491602	ZINC000632727132	ref	3.54	-13.02	0	302.338	0.1	1	7	4	COCCn1cc(C(=O)N2CCc3nc(N)ncc3C2)cn1
365637307	ZINC000625083006	ref	6.31	-22.19	0	315.398	2.392	2	4	6	O=C(CCNC(=O)[C@@H]1C[C@H]1c1ccsc1)Nc1ccccn1
342079476	ZINC000625303798	mid	8.55	-45.12	1	288.395	1.254	1	3	3	Cn1cc(C[N@H+]2CCCN(C(=O)C34CC(C3)C4)CC2)cn1
365637317	ZINC000625080793	ref	5.32	-8.88	0	310.36	2.287	0	3	6	CCCN(CC(F)(F)F)C(=O)CN1C[C@@H](C)OC[C@@H]1CC
365637327	ZINC000625082187	ref	4.62	-9.98	0	305.346	2.073	0	3	2	Cc1ccc(S(=O)(=O)N2CCCOC[C@@H]2C)c(F)c1F
365637333	ZINC000625079696	ref	3.93	-11.69	0	313.463	2.334	2	3	8	CCC(C)(C)CS(=O)(=O)N[C@@H](C)[C@H](O)Cc1ccccc1
365637345	ZINC000625083012	ref	7.23	-10.39	0	320.437	2.34	0	6	5	CC[C@@H](C)c1nnc(N2CC3(CCCO3)C2)n1C[C@@H]1CCCO1
212168266	ZINC000335491814	ref	7.24	-7.04	0	251.28	3.252	1	3	2	Cc1ccnc(N[C@@H]2CCCC(F)(F)C2)c1C#N
342079477	ZINC000608864155	ref	6.32	-9.66	0	281.344	1.967	1	6	4	N#Cc1cc(C#N)c(SCCc2ccncc2)nc1N
342079478	ZINC000625304784	ref	9.62	-14.12	0	294.358	1.515	0	4	1	Cc1nnc2n1CCN(C(=O)[C@H]1[C@H]3c4ccccc4C[C@H]31)C2
342079479	ZINC000625305357	ref	6.39	-16.7	0	275.312	1.354	0	6	2	Cc1nnc2n1CCN(C(=O)c1conc1C(C)C)C2
342079480	ZINC000625305041	ref	7.01	-16.4	0	289.339	1.608	0	6	3	CCc1nnc2n1CCN(C(=O)c1conc1C(C)C)C2
342088382	ZINC000121490020	ref	4.39	-50.82	-1	263.272	1.237	2	4	4	Cn1cncc1CCNC(=O)c1c(O)cccc1F
342088383	ZINC000121490020	mid	4.13	-39.2	1	263.272	1.237	1	4	4	Cn1cncc1CCNC(=O)c1c([O-])cccc1F
365637265	ZINC000123328094	ref	5.95	-8.94	0	296.436	2.165	0	3	4	CCCS(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1
365637278	ZINC000123329358	ref	4.9	-46.74	1	281.377	2.264	1	3	5	Cc1oc2ccccc2c1C[NH2+][C@H](C)CS(C)(=O)=O
365637287	ZINC000123329358	mid	3.67	-14.37	0	281.377	2.264	1	4	5	Cc1oc2ccccc2c1CN[C@H](C)CS(C)(=O)=O
365637293	ZINC000123329127	ref	4.87	-48.77	1	281.377	2.264	1	3	5	Cc1oc2ccccc2c1C[NH2+][C@@H](C)CS(C)(=O)=O
365637305	ZINC000123329127	mid	3.75	-16.99	0	281.377	2.264	1	4	5	Cc1oc2ccccc2c1CN[C@@H](C)CS(C)(=O)=O
365637315	ZINC000123403362	ref	7.34	-9.92	0	271.401	2.463	0	3	7	CCO[C@H](C)C(=O)N(C)[C@H]1C[C@@H](OC)C1(CC)CC
365637326	ZINC000123407434	ref	5.68	-13.34	0	286.441	2.035	1	3	7	CCCCS[C@@H](C)C(=O)N1CCNC(=O)[C@H]1CCC
365637342	ZINC000123363481	ref	5.92	-49.39	1	277.368	2.045	3	2	7	CCCC[N@H+](CC(=O)NC(N)=O)[C@@H](C)c1ccccc1
365637350	ZINC000123363481	mid	6.0	-45.1	1	277.368	2.045	3	2	7	CCCC[N@@H+](CC(=O)NC(N)=O)[C@@H](C)c1ccccc1
398245458	ZINC000649440718	ref	8.41	-8.39	0	243.306	3.879	0	3	2	Cc1oncc1-c1ccc(C(=O)C(C)(C)C)cc1
365637357	ZINC000123363481	high	3.68	-18.24	0	277.368	2.045	2	3	7	CCCCN(CC(=O)NC(N)=O)[C@@H](C)c1ccccc1
365637369	ZINC000123372126	ref	7.73	-11.29	0	272.352	2.365	0	4	3	Cc1cc(C)n(-c2ccc(C(=O)N(C)C(C)C)cn2)n1
365637384	ZINC000123356029	ref	6.77	-7.62	0	256.353	2.415	1	4	3	CN1CCCc2cc(NCc3cncn3C)ccc21
365637396	ZINC000123356029	low	8.99	-74.56	2	256.353	2.415	2	2	3	Cn1c[nH+]cc1CNc1ccc2c(c1)CCC[N@H+]2C
342596286	ZINC000616970762	ref	3.08	-22.31	0	282.727	1.112	2	3	4	C[C@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCNC1=O
365637402	ZINC000123356029	low	8.99	-74.53	2	256.353	2.415	2	2	3	Cn1c[nH+]cc1CNc1ccc2c(c1)CCC[N@@H+]2C
365637412	ZINC000123294072	ref	4.45	-4.16	0	292.423	2.116	2	3	6	CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1N1CCOCC1
197593808	ZINC000162819794	ref	6.74	-12.45	0	316.445	3.269	2	2	5	CNC(=O)c1ccc(CNC(=O)C[C@H]2CCCC(C)(C)C2)cc1
342596287	ZINC000616970126	ref	3.64	-16.94	0	278.377	1.491	2	3	2	C[C@H]1CCc2sc(C(=O)N[C@H]3CCNC3=O)cc2C1
342596288	ZINC000616969831	ref	3.06	-20.59	0	284.315	1.467	2	3	3	COc1ccc(C(=O)N[C@@H]2CCNC2=O)c2ccccc12
342596289	ZINC000616969955	ref	4.09	-17.58	0	276.336	1.34	2	3	5	C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@H]2CCNC2=O)o1
342596290	ZINC000616970718	ref	4.27	-23.16	0	284.315	1.223	2	3	4	O=C(COc1cccc2ccccc12)N[C@@H]1CCNC1=O
349535058	ZINC000093260848	ref	5.65	-9.11	0	296.371	0.972	1	5	7	CCOCCN(C)C(=O)C(=O)Nc1ccnn1CC(C)C
365637268	ZINC000641604540	ref	3.05	-8.29	0	297.367	1.91	1	3	6	COCC1(NS(=O)(=O)C[C@@]2(C)CC2(F)F)CCCC1
365637277	ZINC000641604790	ref	3.62	-6.04	0	274.368	1.122	0	5	4	c1nc(C2CC2)cc(N2CC(CN3CCOCC3)C2)n1
230744902	ZINC000450491205	ref	3.57	-10.66	0	319.361	1.516	2	5	5	COc1ccc2[nH]nc(NC(=O)[C@]3(OC(C)C)CCOC3)c2c1
365637283	ZINC000641604790	mid	6.22	-41.09	1	274.368	1.122	1	4	4	c1nc(C2CC2)cc(N2CC(C[NH+]3CCOCC3)C2)n1
349535062	ZINC000093279159	ref	3.91	-38.27	1	256.346	0.771	2	3	4	COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@H](C)C(N)=O)C1
398245460	ZINC000649440738	ref	6.4	-3.56	0	233.355	3.161	1	2	3	C[C@H](O)CCN1CCC[C@H](C)c2ccccc21
365637290	ZINC000641604992	ref	4.03	-11.37	0	261.329	1.136	1	6	6	CC[C@H](CNc1ccc(-c2ccnn2C)nn1)OC
365637299	ZINC000641605915	ref	1.09	-10.71	0	283.34	1.112	2	3	6	C[C@H](NS(=O)(=O)C[C@@]1(C)CC1(F)F)C1(CO)CC1
365637311	ZINC000641605918	ref	0.93	-11.05	0	283.34	1.112	2	3	6	C[C@@H](NS(=O)(=O)C[C@@]1(C)CC1(F)F)C1(CO)CC1
365637323	ZINC000641604200	ref	4.21	-8.76	0	265.325	1.894	1	2	4	C[C@]1(CS(=O)(=O)N[C@@]23CCC[C@@H]2C3)CC1(F)F
365637329	ZINC000641604765	ref	4.98	-8.5	0	286.31	1.626	2	4	5	NC(=O)c1cc(NCc2ccc(C3CC3)cc2F)ncn1
282122879	ZINC000151678020	high	4.66	-10.03	0	318.421	2.19	1	4	5	O=C(Nc1cccnc1)N1CC[C@H](OCCN2CCCCC2)C1
185089045	ZINC000096076186	ref	5.14	-41.12	1	281.425	1.687	1	4	2	C[N@@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1
282122883	ZINC000151665143	ref	4.35	-36.76	1	307.404	2.477	1	2	6	CC[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCCC1
342079481	ZINC000625305643	ref	4.9	-41.31	1	270.417	1.943	2	2	6	CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)C1CCOCC1
365637338	ZINC000641604725	ref	3.03	-15.45	0	287.294	1.423	2	3	2	O=C(c1c[nH]nc1-c1ccccc1F)N1C[C@@H]2C[C@]2(O)C1
185089046	ZINC000096076186	mid	5.12	-38.68	1	281.425	1.687	1	4	2	C[N@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1
365637347	ZINC000641604725	mid	2.86	-14.41	0	287.294	1.423	2	3	2	O=C(c1cn[nH]c1-c1ccccc1F)N1C[C@@H]2C[C@]2(O)C1
230744929	ZINC000450487950	ref	4.5	-12.59	0	306.41	1.629	1	5	4	CC(C)(C)CCC1(O)CC(C(=O)N2CC(n3ccnn3)C2)C1
214186827	ZINC000053553562	ref	5.75	-9.99	0	349.866	2.518	1	4	6	CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1ccccc1Cl)N(C)C
342079482	ZINC000625306740	ref	2.67	-47.13	1	299.33	1.993	1	6	5	COc1cncc(CNC2(c3ccc4c(c3)OCO4)CC2)n1
295666363	ZINC000334677465	ref	5.76	-6.5	0	251.37	2.356	1	2	3	O=C(NC[C@@H]1CCCOC1)[C@@H]1CC2CCC1CC2
365637269	ZINC000274364973	high	0.65	-42.77	-1	274.28	1.067	1	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1cnn[n-]1)CCO2
178302860	ZINC000237205518	ref	3.07	-61.0	1	357.432	1.933	2	5	6	COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCC1([NH3+])CCCCCC1
365637271	ZINC000274364973	high	0.74	-42.99	-1	274.28	1.067	1	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1cn[n-]n1)CCO2
282122884	ZINC000248976138	ref	2.81	-34.18	1	307.419	1.769	2	6	7	C[C@H](O)CN(Cc1csc(-c2ccccn2)n1)[C@H](C)CO
282122890	ZINC000248976138	mid	1.18	-33.33	1	307.419	1.769	3	5	7	C[C@H](O)C[N@H+](Cc1csc(-c2ccccn2)n1)[C@H](C)CO
365637279	ZINC000274364344	ref	1.87	-14.67	0	299.281	1.246	1	6	5	C[C@H](NC(=O)c1cc(OC(F)F)n(C)n1)c1cnn(C)c1
365637285	ZINC000274366821	ref	3.65	-12.89	0	262.284	1.434	2	2	5	NC(=O)[C@@H](NC(=O)/C=C/C1CC1)c1ccc(F)cc1
365637292	ZINC000274366396	ref	5.03	-13.31	0	273.34	1.644	1	5	4	Cc1nn(C)c(C)c1C[C@H](C)C(=O)Nc1cncnc1
178302862	ZINC000237203226	ref	5.03	-48.55	1	359.401	1.93	3	3	9	COCC[NH2+]CC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1
365637302	ZINC000274365490	ref	7.45	-41.15	1	257.341	1.903	0	4	2	Cc1cc(N2CCC(c3nncn3C)CC2)cc[nH+]1
178302865	ZINC000237203226	high	3.68	-15.21	0	359.401	1.93	3	4	9	COCCNCC(=O)NCc1ccc(NC(=O)c2ccc(F)cc2)cc1
365637309	ZINC000274365327	ref	-0.58	-9.36	0	295.339	1.094	2	5	4	COc1ncccc1NC(=O)N1CCOC[C@H]1C[C@@H](C)O
365637316	ZINC000274365361	ref	3.77	-9.58	0	281.327	1.366	1	3	4	C[C@@H](O)C[C@@H]1COCCN1C(=O)Cc1ccccc1F
365637324	ZINC000274365690	ref	5.45	-10.81	0	266.366	1.8	1	4	8	CCC(=O)CNC(=O)CCSCc1ccccn1
178302868	ZINC000237222987	ref	2.56	-15.01	0	362.455	1.687	2	6	6	COc1ccccc1[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1noc(C)n1
178302871	ZINC000237222987	high	2.56	-15.01	0	362.455	1.687	2	7	6	COc1ccccc1[C@@H](NC(=O)C[C@@H]1CSCCN1)c1noc(C)n1
398245462	ZINC000649440664	ref	7.63	-7.48	0	225.291	3.462	0	2	1	CC1(C)Cc2cccc(-c3cccnc3)c2O1
365637330	ZINC000274364418	ref	3.69	-6.5	0	276.34	1.358	2	4	3	C[C@@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cncnc2)C1
365637337	ZINC000274364360	ref	4.24	-12.71	0	265.357	1.66	2	3	5	CC(C)O[C@@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1(C)C
323004608	ZINC000561614880	mid	0.32	-7.42	0	241.335	0.051	1	3	4	CC[C@H]1CN(C)CCN1C(=O)[C@H](C)CC(N)=O
214186830	ZINC000278487382	ref	-0.47	-53.39	-1	317.729	2.54	0	5	4	O=S(=O)([N-]c1nnc(C2CC2)o1)c1cccc(Cl)c1F
342596291	ZINC000616969892	ref	3.09	-18.65	0	286.253	1.253	2	2	3	O=C(Cc1ccc(C(F)(F)F)cc1)N[C@@H]1CCNC1=O
365637275	ZINC000354710146	high	2.59	-8.04	0	270.417	1.632	2	3	6	CC(C)C[C@@H](C)CC(=O)NCC1(O)CCN(C)CC1
365637282	ZINC000354710079	ref	4.5	-9.79	0	276.38	1.802	1	3	6	C[C@@H]1CC[C@@H](CN(C)CC(=O)NCc2ccccc2)O1
342596292	ZINC000616970523	ref	3.9	-21.84	0	297.358	1.665	3	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc2[nH]c3c(c2c1)CCCC3
365637291	ZINC000354710079	mid	6.85	-37.08	1	276.38	1.802	2	2	6	C[C@@H]1CC[C@@H](C[N@H+](C)CC(=O)NCc2ccccc2)O1
342596293	ZINC000616970124	ref	3.64	-16.94	0	278.377	1.491	2	3	2	C[C@@H]1CCc2sc(C(=O)N[C@H]3CCNC3=O)cc2C1
365637296	ZINC000354710079	mid	6.83	-37.86	1	276.38	1.802	2	2	6	C[C@@H]1CC[C@@H](C[N@@H+](C)CC(=O)NCc2ccccc2)O1
342596294	ZINC000616970763	ref	3.08	-19.48	0	282.727	1.112	2	3	4	C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@@H]1CCNC1=O
342596295	ZINC000616970799	ref	4.56	-17.38	0	292.404	1.79	2	3	5	Cc1ccc(SCCC(=O)N[C@H]2CCNC2=O)cc1C
222608422	ZINC000291776290	ref	5.75	-6.77	0	318.417	2.824	2	3	6	CCOC(C)(C)CNC(=O)C(=O)Nc1cccc(C2CCC2)c1
365637304	ZINC000354710579	ref	5.92	-18.23	0	295.289	1.994	1	4	6	Cn1ccc(CCNC(=O)c2ccccc2OC(F)F)n1
365637314	ZINC000354711287	ref	2.87	-33.94	-1	257.359	1.128	0	5	4	COCCc1nc(=N[C@@H]2CCO[C@H](C)C2)s[n-]1
365637321	ZINC000354711287	low	3.23	-6.04	0	257.359	1.128	1	6	5	COCCc1nsc(N[C@@H]2CCO[C@H](C)C2)n1
365637328	ZINC000354710746	ref	7.12	-17.75	0	287.363	1.72	1	4	7	CCc1ccccc1OCC(=O)NCCc1ccn(C)n1
342596296	ZINC000616970810	ref	3.13	-21.54	0	272.304	1.288	2	3	3	Cc1ccc2c(CC(=O)N[C@@H]3CCNC3=O)coc2c1
365637336	ZINC000354711312	ref	3.52	-13.34	0	296.411	1.46	2	3	6	CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCCC[C@@H](C)CO)[C@@H]1[C@H]3C2
365637344	ZINC000354711473	ref	4.78	-8.26	0	259.313	1.642	1	6	3	C[C@@H]1C[C@@H](Nc2cncc(-n3cccn3)n2)CCO1
365637355	ZINC000354710753	ref	3.94	-16.21	0	273.398	1.314	0	3	1	C[C@H]1C[C@@H](C)CN(C(=O)[C@H]2CCS(=O)(=O)C2)[C@@H]1C
349535059	ZINC000602430760	mid	6.85	-10.17	0	238.331	1.954	0	4	5	COC(=O)[C@H]1CCCCN1C[C@@H](C)CCC#N
342596297	ZINC000616970761	ref	3.08	-19.83	0	282.727	1.112	2	3	4	C[C@@H](Oc1cccc(Cl)c1)C(=O)N[C@H]1CCNC1=O
365637361	ZINC000354711097	ref	3.13	-11.54	0	286.372	1.322	3	4	8	CCOC(=O)CC[C@@H](C)NC(=O)NCCC1(O)CCC1
365637318	ZINC000617437060	mid	5.9	-44.6	1	263.345	0.884	2	4	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)c2ncnn21
365637322	ZINC000617437060	mid	6.09	-44.78	1	263.345	0.884	2	4	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)c2ncnn21
214186834	ZINC000278487382	low	0.13	-11.38	0	317.729	2.54	1	5	4	O=S(=O)(Nc1nnc(C2CC2)o1)c1cccc(Cl)c1F
365637331	ZINC000617438043	ref	6.56	-43.13	1	265.361	0.986	2	4	4	CC(C)[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)[NH+](C)C
365637334	ZINC000617438043	high	4.67	-15.9	0	265.361	0.986	1	5	4	CC(C)[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)N(C)C
365637340	ZINC000617436987	ref	4.3	-17.82	0	293.371	0.952	2	5	6	CC(C)CCC(=O)NCC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365637348	ZINC000617435691	ref	4.85	-21.39	0	273.296	0.874	1	6	4	C[C@H]1C[C@@H](NC(=O)COc2cccnc2)c2ncnn21
365637353	ZINC000617436178	ref	5.4	-18.4	0	274.328	0.995	1	6	4	Cc1cnn(CCC(=O)N[C@H]2C[C@H](C)n3ncnc32)c1
365637358	ZINC000617438097	ref	4.52	-25.47	0	297.322	0.996	1	7	2	C[C@@H]1C[C@H](NC(=O)c2ccc3c(c2)nnn3C)c2ncnn21
365637367	ZINC000617437633	ref	3.68	-17.97	0	279.344	0.706	2	5	6	CCCNC(=O)CCC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365637375	ZINC000617438190	ref	5.88	-47.73	1	251.334	0.742	2	4	5	CCC[N@H+](C)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
178302863	ZINC000051848084	ref	3.96	-13.0	0	241.298	2.007	2	4	2	Cc1cc2nc(Cn3cc(N)cn3)[nH]c2cc1C
365637378	ZINC000617438190	mid	5.89	-47.83	1	251.334	0.742	2	4	5	CCC[N@@H+](C)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365637385	ZINC000617438190	high	3.63	-17.12	0	251.334	0.742	1	5	5	CCCN(C)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365637392	ZINC000617437704	ref	5.07	-25.66	0	283.295	0.757	1	7	2	C[C@@H]1C[C@@H](NC(=O)c2nccn3ccnc23)c2ncnn21
365637399	ZINC000617437059	ref	3.86	-16.08	0	263.345	0.884	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCN2C)c2ncnn21
365637404	ZINC000617437059	mid	6.09	-41.27	1	263.345	0.884	2	4	2	C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)c2ncnn21
349535061	ZINC000602430800	ref	5.97	-46.98	1	225.336	1.384	2	2	8	CCNC(=O)C[N@H+](CC)C[C@H](C)CCC#N
365637410	ZINC000617437059	mid	5.9	-42.74	1	263.345	0.884	2	4	2	C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)c2ncnn21
214186838	ZINC000278486941	ref	8.75	-11.67	0	324.449	3.466	1	3	3	O=C(NCc1ccc2c(n1)CCCC2)[C@@H]1CSc2ccccc21
282122885	ZINC000176608419	high	5.28	-7.75	0	282.428	2.136	0	3	4	CN(C)C[C@@H]1CN(C(=O)CC2CCCCCC2)CCO1
349535064	ZINC000602430800	mid	5.7	-45.37	1	225.336	1.384	2	2	8	CCNC(=O)C[N@@H+](CC)C[C@H](C)CCC#N
365637325	ZINC000623069966	ref	4.9	-8.96	0	312.373	1.76	2	5	5	CCn1cc(C(=O)C(=O)NCc2cccc3c2CCCN3)cn1
365637335	ZINC000623070275	ref	2.29	-60.29	1	307.383	1.062	2	6	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3nccs3)C2)nn1
365637341	ZINC000623070275	high	1.89	-21.63	0	307.383	1.062	2	7	3	NCc1cn([C@H]2CCCN(C(=O)Nc3nccs3)C2)nn1
342079483	ZINC000625306740	mid	2.67	-47.13	1	299.33	1.993	1	5	5	COc1cncc(C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)n1
365637349	ZINC000623070926	ref	0.83	-47.88	1	314.155	1.618	2	3	5	[NH3+]CC[C@H](NC(=O)c1ncc(Br)s1)C(F)F
342079484	ZINC000625305551	ref	7.93	-11.91	0	260.341	1.509	0	4	1	Cc1nnc2n1CCN(C(=O)[C@@H]1CCCC13CC3)C2
230731249	ZINC000414305099	ref	7.44	-42.11	1	311.451	3.091	1	5	7	COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2csnn2)C1
342079485	ZINC000625305659	ref	2.0	-44.86	1	265.357	1.78	1	4	6	CC[C@@H]([NH2+]Cc1cncc(OC)n1)C1CCOCC1
230731252	ZINC000414305099	mid	6.43	-9.83	0	311.451	3.091	1	6	7	COC(=O)CCC[C@@H]1CCC[C@H](N[C@@H](C)c2csnn2)C1
214186835	ZINC000053553562	mid	8.79	-50.18	1	349.866	2.518	2	3	6	CN(Cc1cnn(C)c1)C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C
342079486	ZINC000625305659	high	1.01	-4.71	0	265.357	1.78	1	5	6	CC[C@@H](NCc1cncc(OC)n1)C1CCOCC1
365637352	ZINC000623070586	ref	3.55	-9.02	0	322.203	1.679	1	4	1	C[C@]1(F)CNCCN(C(=O)c2ncc(Br)s2)C1
365637359	ZINC000623070586	mid	4.46	-42.67	1	322.203	1.679	1	3	1	C[C@]1(F)C[NH2+]CCN(C(=O)c2ncc(Br)s2)C1
365637366	ZINC000623070176	ref	4.43	-51.18	1	303.362	1.484	2	3	2	CC(=O)c1ccc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc1
365637374	ZINC000623070176	mid	3.06	-15.29	0	303.362	1.484	2	4	2	CC(=O)c1ccc(NC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)cc1
365637383	ZINC000623070167	ref	5.05	-57.86	1	307.369	1.141	2	2	3	O=C(NCCc1ccc(F)cc1)N1CC[C@@H]2OCC[NH2+][C@H]2C1
342079487	ZINC000625306825	ref	4.11	-29.95	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)C[C@H]1C[C@H]1C
365637390	ZINC000623070167	mid	3.75	-11.92	0	307.369	1.141	2	3	3	O=C(NCCc1ccc(F)cc1)N1CC[C@@H]2OCCN[C@H]2C1
187169737	ZINC000125098032	ref	6.02	-8.23	0	273.376	3.296	2	2	4	CC1CCC(=CC(=O)Nc2ccc(CCO)cc2)CC1
343994033	ZINC000079909869	high	3.55	-45.6	-1	292.36	2.277	0	4	5	C[C@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2)o1
342079488	ZINC000625306825	mid	4.24	-30.28	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)C[C@H]1C[C@H]1C
365639303	ZINC000123576401	ref	6.21	-15.05	0	291.347	2.168	1	4	7	CC/C(=C/C(=O)NCCC(=O)OC)c1ccc(OC)cc1
342596298	ZINC000616970818	ref	4.6	-20.58	0	290.363	1.502	2	3	5	Cc1ccc(C(C)C)cc1OCC(=O)N[C@@H]1CCNC1=O
365637343	ZINC000576599718	high	5.63	-7.15	0	249.358	1.776	1	4	4	Cc1ncc(CN[C@]2(C)CCO[C@@H]2C2CC2)n1C
365637351	ZINC000175992031	ref	7.68	-11.1	0	239.315	1.3	0	3	5	COC(=O)[C@@H](C)CN(C)C(=O)[C@H]1C[C@@H]1C1CC1
197593817	ZINC000162822684	ref	4.14	-14.49	0	308.378	1.927	2	4	6	CC(C)(C)OC(=O)N(CC(=O)NCCCO)c1ccccc1
342596299	ZINC000616969982	ref	3.91	-18.48	0	258.321	1.184	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc2c(c1)CCCC2
365637363	ZINC000576600350	ref	7.98	-45.01	1	249.329	3.257	1	1	4	COc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1F
299072248	ZINC000358088766	ref	3.79	-12.32	0	309.41	1.792	2	3	5	CN(C(=O)CCC[C@]1(C)NC(=O)NC1=O)[C@@H]1CCC(C)(C)C1
342596300	ZINC000616970601	ref	0.03	-17.68	0	298.726	1.063	3	4	4	CCOc1cc(C(=O)N[C@H]2CCNC2=O)cc(Cl)c1O
365637377	ZINC000576605559	ref	3.33	-6.84	0	234.299	2.354	1	3	2	Cc1nc(C(=O)N[C@H]2CC23CCCC3)c(C)o1
342596301	ZINC000616970601	mid	0.95	-54.1	-1	298.726	1.063	2	4	4	CCOc1cc(C(=O)N[C@H]2CCNC2=O)cc(Cl)c1[O-]
230731255	ZINC000450416477	ref	2.61	-14.24	0	317.436	1.172	1	6	5	CCNS(=O)(=O)[C@H]1CCN(c2nc(C(C)=O)c(C)s2)C1
230731259	ZINC000450414021	ref	5.34	-15.25	0	315.373	1.273	1	5	3	COc1cccc2c(N3CCN(C(=O)[C@H](C)O)CC3)nccc12
230731262	ZINC000450414021	low	5.82	-40.89	1	315.373	1.273	1	4	3	COc1cccc2c(N3CCN(C(=O)[C@H](C)O)CC3)[nH+]ccc12
365637388	ZINC000175975419	ref	3.89	-15.32	0	237.303	1.782	2	3	4	Cc1[nH]nc(NC(=O)CC[C@H]2CCOC2)c1C
197593825	ZINC000162816130	ref	5.31	-11.56	0	302.327	2.202	1	4	7	O=[N+]([O-])c1ccc(S(=O)(=O)NCCCC2CC2)cc1F
365637406	ZINC000576600178	ref	4.48	-9.58	0	238.234	2.535	1	3	3	Cc1cnc(SCCC(F)(F)F)[nH]c1=O
178302866	ZINC000051848084	low	4.41	-30.46	1	241.298	2.007	2	3	2	Cc1cc2[nH]c(Cn3cc(N)cn3)[nH+]c2cc1C
365637414	ZINC000576600178	mid	3.34	-40.59	-1	238.234	2.535	0	3	3	Cc1cnc(SCCC(F)(F)F)[n-]c1=O
365637421	ZINC000175974937	ref	6.44	-8.57	0	223.316	1.67	0	2	3	CO[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1
197593827	ZINC000162816130	high	4.94	-33.72	-1	302.327	2.202	0	4	7	O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCC2CC2)cc1F
365637440	ZINC000175975404	ref	3.8	-15.82	0	237.303	1.782	2	3	4	Cc1[nH]nc(NC(=O)CC[C@@H]2CCOC2)c1C
365637445	ZINC000576600291	ref	6.32	-47.85	1	239.319	1.017	1	4	5	COC(=O)C(C)(C)C[NH2+]Cc1cnc(C)n1C
365637454	ZINC000576600291	low	6.79	-104.4	2	239.319	1.017	1	3	5	COC(=O)C(C)(C)C[NH2+]Cc1c[nH+]c(C)n1C
365637346	ZINC000274366287	ref	4.28	-9.34	0	262.313	1.556	2	4	2	O=C(Nc1cncnc1)N[C@@H]1CCC[C@@H]2OCC[C@@H]21
365637362	ZINC000274367136	ref	5.22	-38.4	1	287.367	1.519	0	6	3	C[C@@H](c1cnccn1)N1CCO[C@](C)(c2cnn(C)c2)C1
365637370	ZINC000274367136	low	4.14	-38.12	1	287.367	1.519	1	5	3	C[C@@H](c1cnccn1)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1
290622694	ZINC000492522960	ref	3.77	-13.01	0	284.319	2.095	1	5	5	CCc1ncc(NC(=O)/C=C/c2cncc(OC)c2)cn1
290622695	ZINC000492523400	ref	4.68	-10.32	0	290.363	2.036	1	4	9	COc1cncc(/C=C/C(=O)NCCCOCC2CC2)c1
365637373	ZINC000274367136	low	4.14	-38.12	1	287.367	1.519	1	5	3	C[C@@H](c1cnccn1)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1
365637381	ZINC000274367366	ref	4.17	-41.14	1	297.424	1.231	2	3	4	CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1N
178302870	ZINC000020271057	ref	6.96	-5.08	0	226.106	4.158	0	1	0	Cc1cc2nc(Cl)c(C)cc2cc1Cl
343994034	ZINC000079919563	ref	4.22	-8.1	0	275.352	2.411	1	5	8	CCCc1noc(CN(CCCO)c2ccccc2)n1
230731297	ZINC000414304614	ref	6.99	-37.59	1	320.477	3.406	3	2	8	CC[C@H]([NH2+][C@H](C)CC(=O)Nc1ccc(C)cc1C)[C@H](O)C(C)C
398245463	ZINC000650857959	ref	0.17	-10.17	0	253.302	1.289	2	4	7	C[C@@H](COCC1CC1)NC(=O)NCc1cocn1
365637397	ZINC000274367366	mid	2.63	-10.18	0	297.424	1.231	2	3	4	CN(C[C@@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1N
349535065	ZINC000093279159	mid	3.45	-30.1	1	256.346	0.771	2	3	4	COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@H](C)C(N)=O)C1
365637401	ZINC000274367366	high	2.63	-10.18	0	297.424	1.231	1	4	4	CN1CCC[C@@H](CN(C)S(=O)(=O)c2ccccc2N)C1
365637411	ZINC000274365330	ref	-0.31	-8.59	0	295.339	1.094	2	5	4	COc1ncccc1NC(=O)N1CCOC[C@H]1C[C@H](C)O
365637418	ZINC000274365464	ref	5.53	-8.07	0	275.356	1.109	1	5	3	CN1CCN(c2cc(NC3CCCC3)ncn2)CC1=O
398245467	ZINC000650858019	ref	-0.64	-12.02	0	253.302	1.431	2	4	4	CO[C@@H]1CCCC[C@H]1NC(=O)NCc1cocn1
365637422	ZINC000274365464	low	6.0	-37.67	1	275.356	1.109	1	4	3	CN1CCN(c2cc(NC3CCCC3)[nH+]cn2)CC1=O
365637426	ZINC000274365464	low	5.82	-38.52	1	275.356	1.109	1	4	3	CN1CCN(c2cc(NC3CCCC3)nc[nH+]2)CC1=O
365637428	ZINC000274366315	ref	6.34	-49.39	1	261.329	1.036	2	3	3	O=C(Nc1cncnc1)N1CC[NH+](CC2CC2)CC1
178302880	ZINC000040310632	ref	4.09	-9.97	0	204.273	1.725	1	3	2	Cc1cc2nc(CCO)n(C)c2cc1C
323004609	ZINC000127087496	ref	6.99	-6.09	0	209.333	3.182	1	1	5	CCC[C@H](CC)NC(=O)C1=CCCCC1
365637354	ZINC000641604044	ref	2.94	-11.67	0	291.413	1.29	1	4	5	COCC1(NS(=O)(=O)[C@@H]2CCOC[C@H]2C)CCCC1
365637364	ZINC000641604799	ref	3.58	-43.68	1	292.445	1.205	2	3	8	C[C@@H](CCNS(=O)(=O)CC[C@@H]1CCCCO1)[NH+](C)C
432002749	ZINC000061891769	low	7.33	-45.99	1	309.207	3.24	1	2	4	COc1ccc(Br)cc1C[NH2+][C@H]1CCC[C@@H]1C#N
178302878	ZINC000237222584	ref	6.45	-56.9	-1	363.151	1.511	1	4	5	COC[C@@](C)(NC(=O)c1ccc(I)cc1)C(=O)[O-]
365637376	ZINC000641604556	ref	0.49	-11.24	0	291.413	1.026	2	4	7	O=S(=O)(CC[C@@H]1CCCCO1)N[C@H](CO)C1CCC1
398245464	ZINC000649443732	ref	4.12	-8.11	0	236.702	2.541	1	3	2	Cc1c(-c2cc(Cl)cc(CO)c2)cnn1C
365637389	ZINC000641604037	ref	3.5	-9.57	0	284.319	1.3	2	5	3	Cc1cccc2c1OC[C@H](Nc1cc(C(N)=O)ncn1)C2
365637398	ZINC000641604733	ref	6.13	-13.18	0	299.44	1.875	1	4	6	C[C@H]1CC(CNS(=O)(=O)CCn2ccnc2)C[C@H](C)C1
342596302	ZINC000616970838	ref	2.63	-16.84	0	280.349	1.024	2	4	5	Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCNC2=O)s1
365637409	ZINC000641604733	low	6.64	-43.1	1	299.44	1.875	1	3	6	C[C@H]1CC(CNS(=O)(=O)CCn2cc[nH+]c2)C[C@H](C)C1
365637419	ZINC000641604042	ref	2.98	-11.52	0	291.413	1.29	1	4	5	COCC1(NS(=O)(=O)[C@@H]2CCOC[C@@H]2C)CCCC1
282122886	ZINC000449153965	ref	7.5	-39.06	1	298.39	2.19	2	3	6	C[C@H]([NH2+]C1CC1)C(=O)N[C@H](C)c1ccccc1-n1cccn1
365637424	ZINC000641604043	ref	1.4	-9.89	0	291.413	1.29	1	4	5	COCC1(NS(=O)(=O)[C@H]2CCOC[C@@H]2C)CCCC1
365637429	ZINC000641605917	ref	1.08	-10.42	0	283.34	1.112	2	3	6	C[C@H](NS(=O)(=O)C[C@]1(C)CC1(F)F)C1(CO)CC1
214186842	ZINC000278488963	ref	4.86	-60.45	-1	311.363	2.058	0	6	5	CCc1nc([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)no1
342596303	ZINC000616970594	ref	3.17	-20.64	0	276.336	1.159	2	3	6	Cc1ccc(OCCCC(=O)N[C@@H]2CCNC2=O)cc1
230731315	ZINC000450414289	ref	2.03	-16.28	0	311.378	1.186	2	5	9	CC[C@H](O)CC(=O)N(CCO)Cc1cc(OC)ccc1OC
178302881	ZINC000237216940	ref	4.58	-52.34	1	359.348	1.806	2	3	7	C[NH2+]CCCC(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
365637436	ZINC000641604517	ref	2.66	-8.88	0	298.408	1.988	2	4	9	C=CCNS(=O)(=O)c1ccccc1NC[C@@H](CC)OC
214186846	ZINC000278488963	low	4.93	-13.68	0	311.363	2.058	1	6	5	CCc1nc(NS(=O)(=O)c2c(C)cc(C)cc2OC)no1
365637450	ZINC000395393404	ref	4.19	-53.89	-1	286.372	1.434	2	4	5	CC1(C)C[C@H](O)CCN(C(=O)NCCCCC(=O)[O-])C1
342596304	ZINC000616969934	ref	3.46	-18.21	0	292.335	1.967	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)sc2cccc(F)c12
230731281	ZINC000425460301	ref	4.01	-9.58	0	309.316	2.451	0	5	5	FC(F)c1noc(CN2CCO[C@@H](Cc3ccccc3)C2)n1
365637356	ZINC000625080620	ref	2.17	-9.55	0	321.389	2.349	2	3	5	Cc1ccc(S(=O)(=O)N[C@H](CO)CC(C)(C)C)c(F)c1F
299072249	ZINC000567663482	ref	5.15	-50.69	1	290.407	2.268	1	2	3	Cc1ccccc1[C@H]1CN(C(=O)C(C)(C)C[NH3+])[C@@H](C)CO1
365637360	ZINC000625080620	high	2.58	-44.22	-1	321.389	2.349	1	3	5	Cc1ccc(S(=O)(=O)[N-][C@H](CO)CC(C)(C)C)c(F)c1F
365637368	ZINC000625079698	ref	3.84	-12.5	0	313.463	2.334	2	3	8	CCC(C)(C)CS(=O)(=O)N[C@H](C)[C@@H](O)Cc1ccccc1
185089048	ZINC000096076186	high	3.41	-4.46	0	281.425	1.687	0	5	2	CN1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1
365637372	ZINC000625083484	ref	5.26	-9.28	0	301.452	2.3	1	3	7	CCO[C@H](CS(=O)(=O)N[C@@H]1CC2CCC1CC2)C1CC1
365637380	ZINC000625080796	ref	5.6	-8.19	0	310.36	2.287	0	3	6	CCCN(CC(F)(F)F)C(=O)CN1C[C@H](C)OC[C@@H]1CC
365637387	ZINC000625081847	ref	3.82	-7.91	0	313.41	2.402	1	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](COC)C1CC1
365637393	ZINC000625082318	ref	6.15	-8.33	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1CC[C@@H](C)C[C@H](C)C1)C1CC1
365637400	ZINC000625080621	ref	2.57	-11.52	0	321.389	2.349	2	3	5	Cc1ccc(S(=O)(=O)N[C@@H](CO)CC(C)(C)C)c(F)c1F
365637408	ZINC000625080621	high	2.53	-43.91	-1	321.389	2.349	1	3	5	Cc1ccc(S(=O)(=O)[N-][C@@H](CO)CC(C)(C)C)c(F)c1F
365637415	ZINC000625082120	ref	6.06	-12.2	0	322.453	2.178	1	6	5	CC(C)c1nnc(N2CC[C@@H](CO)C[C@H]2C)n1C[C@H]1CCCO1
365637432	ZINC000625080798	ref	5.14	-9.42	0	310.36	2.287	0	3	6	CCCN(CC(F)(F)F)C(=O)CN1C[C@@H](C)OC[C@H]1CC
365637435	ZINC000625082802	ref	7.08	-43.85	1	315.24	2.314	1	4	5	Cn1cc(CC[N@H+](C)Cc2cc(Br)cs2)nn1
365637443	ZINC000625082802	mid	7.08	-43.75	1	315.24	2.314	1	4	5	Cn1cc(CC[N@@H+](C)Cc2cc(Br)cs2)nn1
214186843	ZINC000053539135	ref	4.49	-16.34	0	343.408	3.126	0	7	6	CCOc1ccc(-c2nnc(SCc3ccn(C)c(=O)c3)o2)cc1
365637449	ZINC000625082802	high	4.74	-9.26	0	315.24	2.314	0	5	5	CN(CCc1cn(C)nn1)Cc1cc(Br)cs1
230744912	ZINC000414373076	ref	5.42	-8.22	0	312.236	3.241	0	4	4	Cc1ccc(CN(C)Cc2ccc(Br)s2)nn1
230744915	ZINC000414373076	low	7.57	-44.94	1	312.236	3.241	1	3	4	Cc1ccc(C[N@H+](C)Cc2ccc(Br)s2)nn1
230744918	ZINC000414373076	low	7.78	-44.38	1	312.236	3.241	1	3	4	Cc1ccc(C[N@@H+](C)Cc2ccc(Br)s2)nn1
365637455	ZINC000625081124	ref	2.97	-8.94	0	321.483	2.315	1	4	9	CCC(CC)[C@H](CCNS(=O)(=O)[C@@H]1COC(C)(C)C1)OC
365639307	ZINC000354712439	ref	5.57	-11.0	0	264.369	1.742	1	3	7	C[C@@H](O)CCCN(CC(=O)N(C)C)c1ccccc1
365637365	ZINC000336554788	ref	4.17	-33.77	1	254.399	2.495	2	3	3	Cc1nc(C)c(C[N@@H+]2[C@@H](C)CCC[C@@H]2CO)s1
342079489	ZINC000625306825	high	2.28	-10.72	0	283.416	1.125	2	3	10	CCCNC(=O)C[C@H](C(N)=O)N(CCC)C[C@H]1C[C@H]1C
342079490	ZINC000625307038	ref	8.32	-23.09	0	296.334	1.199	0	6	1	Cc1cc(C(=O)N2CCn3c(C)nnc3C2)c2nccn2c1
343994035	ZINC000079916932	ref	5.58	-11.96	0	292.379	2.314	1	4	8	C[C@H](C[C@@H]1CCCO1)NC(=O)CCCOc1cccnc1
295666367	ZINC000412985542	ref	7.0	-15.87	0	309.391	2.883	0	5	3	Cc1nnc(S[C@H]2CCN(c3ccc(F)cc3)C2=O)s1
365637379	ZINC000336554788	mid	4.23	-31.23	1	254.399	2.495	2	3	3	Cc1nc(C)c(C[N@H+]2[C@@H](C)CCC[C@@H]2CO)s1
282122887	ZINC000333892586	ref	5.4	-46.85	1	291.399	0.796	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1[NH2+]CCCC1(C)C)CC2
199273078	ZINC000294963946	mid	7.95	-28.53	1	256.349	3.06	1	2	6	CO[C@H](CNc1cccc(C)[nH+]1)Cc1ccccc1
342079491	ZINC000625306823	ref	4.19	-30.02	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)C[C@@H]1C[C@H]1C
342079492	ZINC000625306823	mid	4.29	-29.97	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)C[C@@H]1C[C@H]1C
349535066	ZINC000594969706	low	8.98	-134.48	2	291.395	2.866	2	2	5	Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[N@@H+]1C(C)(C)C
282122893	ZINC000333892586	high	4.34	-14.51	0	291.399	0.796	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1NCCCC1(C)C)CC2
365637386	ZINC000336554788	high	2.08	-5.72	0	254.399	2.495	1	4	3	Cc1nc(C)c(CN2[C@@H](C)CCC[C@@H]2CO)s1
365637394	ZINC000336554908	ref	7.28	-39.22	1	260.381	2.235	1	2	3	c1ccc(N2CCC[N@@H+](C[C@@H]3CCOC3)CC2)cc1
282122901	ZINC000362747306	ref	5.77	-48.49	1	277.372	0.215	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)CC2
349535069	ZINC000594969706	low	10.35	-131.6	2	291.395	2.866	2	2	5	Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[N@H+]1C(C)(C)C
365637403	ZINC000336554908	mid	7.13	-39.43	1	260.381	2.235	1	2	3	c1ccc(N2CCC[N@H+](C[C@@H]3CCOC3)CC2)cc1
365637413	ZINC000336554706	ref	6.03	-39.59	1	297.443	2.07	2	2	3	COC1(C)CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1
290622698	ZINC000492523331	ref	6.24	-11.12	0	256.309	2.258	1	4	4	CCn1nccc1NC(=O)/C=C/c1ncccc1C
282122906	ZINC000362747306	mid	5.78	-44.59	1	277.372	0.215	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@H+](C)C[C@H]1C)CC2
290622699	ZINC000492523055	ref	4.78	-11.89	0	258.321	2.328	1	3	4	COc1cncc(/C=C\C(=O)N[C@@H]2C=CCCC2)c1
342079493	ZINC000625306823	high	2.45	-10.83	0	283.416	1.125	2	3	10	CCCNC(=O)C[C@H](C(N)=O)N(CCC)C[C@@H]1C[C@H]1C
342596305	ZINC000616970595	ref	3.17	-20.59	0	276.336	1.159	2	3	6	Cc1ccc(OCCCC(=O)N[C@H]2CCNC2=O)cc1
342596306	ZINC000616970125	ref	3.64	-16.91	0	278.377	1.491	2	3	2	C[C@H]1CCc2sc(C(=O)N[C@@H]3CCNC3=O)cc2C1
342596307	ZINC000616975958	ref	7.7	-11.49	0	290.371	1.57	0	6	5	CC[C@H](C)N(CC)C(=O)c1nnn(-c2ccn(C)n2)c1C
365637371	ZINC000354711084	ref	2.29	-17.73	0	284.319	1.137	2	4	5	C[C@@H](CC(N)=O)NC(=O)c1cnnc(-c2ccccc2)c1
365637382	ZINC000354711316	ref	4.21	-10.36	0	275.352	1.855	1	3	2	Cc1cncc(CNC(=O)N2CCC[C@@]23CCOC3)c1
398245466	ZINC000649440736	ref	6.29	-3.74	0	233.355	3.161	1	2	3	C[C@H](O)CCN1CCC[C@@H](C)c2ccccc21
365637391	ZINC000354710907	ref	3.76	-17.65	0	298.433	1.342	1	4	6	O=C(CCSCc1ccccn1)N[C@@H]1CC[S@](=O)C1
230731330	ZINC000450412005	ref	1.2	-15.48	0	310.419	1.191	1	4	4	CCS(=O)(=O)c1ccc(CN2CCNC(=O)C2(C)C)cc1
342596308	ZINC000616970467	ref	3.24	-12.95	0	278.308	1.238	2	4	3	COC(=O)c1cccc(NC(=O)N2CC(CO)C2)c1C
342596309	ZINC000616969923	ref	2.01	-20.6	0	256.664	1.097	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Cl)cc1F
365637407	ZINC000354711132	ref	1.92	-15.08	0	294.351	1.386	2	4	7	NC(=O)Cc1occc1C(=O)NCCC[C@@H]1CCCCO1
365637420	ZINC000354711315	ref	3.52	-13.38	0	296.411	1.46	2	3	6	CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)NCCC[C@H](C)CO)[C@@H]1[C@H]3C2
365637425	ZINC000354710491	ref	4.88	-45.9	1	295.427	1.282	2	2	6	CC(C)C[C@@H]1CCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365637441	ZINC000354711220	ref	3.59	-8.65	0	254.374	1.117	1	3	6	C[C@H](CNC(=O)C[C@H]1C[C@H]1C)CN1CCOCC1
365637448	ZINC000354711220	mid	5.8	-43.19	1	254.374	1.117	2	2	6	C[C@H](CNC(=O)C[C@H]1C[C@H]1C)C[NH+]1CCOCC1
342596310	ZINC000616970894	ref	3.55	-17.0	0	298.795	1.825	2	3	4	C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCNC1=O
365637458	ZINC000354710422	ref	0.97	-9.61	0	268.317	1.071	1	5	3	COc1nn(C)cc1NC(=O)N1CCC[C@H](OC)C1
365637473	ZINC000354710477	ref	4.08	-14.09	0	289.326	1.921	1	4	8	COCCCCNC(=O)c1c(C)nn(CC(F)F)c1C
230731346	ZINC000450413524	ref	1.44	-54.27	-1	316.361	1.494	1	5	4	CNC(=O)[C@H]1CCC[C@@H]1N=c1[n-]c(-c2ccc(OC)cc2)no1
365637486	ZINC000354711085	ref	2.29	-17.73	0	284.319	1.137	2	4	5	C[C@H](CC(N)=O)NC(=O)c1cnnc(-c2ccccc2)c1
342596311	ZINC000616970933	ref	3.17	-20.83	0	276.336	1.159	2	3	6	Cc1cccc(OCCCC(=O)N[C@H]2CCNC2=O)c1
365637491	ZINC000354710454	ref	2.32	-10.3	0	287.304	1.518	1	7	4	O=C(NCc1nc(-c2cccs2)no1)c1cncnc1
230731338	ZINC000414306081	ref	6.15	-40.25	1	304.478	3.036	2	2	7	CC[C@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)[C@@H](O)C(C)C
214186845	ZINC000337626995	ref	9.17	-8.32	0	273.384	3.136	1	5	6	Cn1ncc2c(NCCCCC3CCCC3)ncnc21
365637395	ZINC000623069797	ref	6.23	-7.18	0	311.389	1.981	2	5	4	Cn1nc(C2CC2)nc1C(=O)NCc1cccc2c1CCCN2
178302883	ZINC000237216306	ref	7.49	-55.78	-1	359.426	1.648	1	6	8	COc1ccccc1C[C@@H](CNC(=O)Cc1c(C)nn(C)c1C)C(=O)[O-]
365637405	ZINC000623069667	ref	-0.67	-52.93	1	309.366	1.021	3	4	4	COc1cc(NC(=O)N2CCC([NH3+])(CO)CC2)cc(OC)c1
178302887	ZINC000237211202	ref	1.3	-15.02	0	365.821	1.58	1	7	4	COc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2noc(C)n2)CC1
365637417	ZINC000623069850	ref	3.34	-45.05	1	318.24	1.963	1	3	2	C[C@H]1CCN(C(=O)c2ncc(Br)s2)C[C@H]1C[NH3+]
178302890	ZINC000237220450	ref	4.85	-48.74	1	360.332	1.915	2	4	6	COC(=O)C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1
178302892	ZINC000237204573	ref	7.84	-91.33	2	362.522	1.751	3	4	6	Cc1c(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)nnn1C1CC[NH2+]CC1
178302894	ZINC000237206690	ref	8.18	-47.19	1	352.438	1.937	2	4	9	COCC[NH2+]CC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1
178302895	ZINC000237206690	high	6.82	-15.54	0	352.438	1.937	2	5	9	COCCNCC(=O)NCc1ccc(Cn2cnc3ccccc32)cc1
178302897	ZINC000237221275	ref	6.3	-47.82	1	350.484	1.549	1	3	6	C[NH2+]C[C@H]1CCCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
365637430	ZINC000623070902	ref	4.6	-47.69	1	303.362	1.484	2	3	2	CC(=O)c1cccc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c1
178302899	ZINC000237217711	ref	3.48	-51.76	1	374.529	1.404	2	3	7	C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(OCCC[NH3+])CC3)c2)CC1
178302901	ZINC000237217711	mid	3.48	-51.76	1	374.529	1.404	1	4	7	CN1CCN(Cc2cccc(C(=O)N3CCC(OCCC[NH3+])CC3)c2)CC1
185089049	ZINC000096078451	ref	4.22	-42.75	1	281.331	1.028	2	4	3	Fc1cccnc1NC[C@@H]1CO[C@@]2(C[NH2+]CCOC2)C1
365637434	ZINC000623070902	mid	3.31	-11.6	0	303.362	1.484	2	4	2	CC(=O)c1cccc(NC(=O)N2CC[C@@H]3OCCN[C@H]3C2)c1
349535067	ZINC000602430800	high	3.91	-11.77	0	225.336	1.384	1	3	8	CCNC(=O)CN(CC)C[C@H](C)CCC#N
178302903	ZINC000237215157	ref	6.04	-45.28	1	360.849	1.735	1	5	4	CN(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365637439	ZINC000623070464	ref	5.08	-59.52	1	318.402	1.891	2	4	1	O=C(Nc1nc2ccccc2s1)N1CC[C@@H]2OCC[NH2+][C@H]2C1
365637416	ZINC000617436216	ref	4.14	-16.79	0	293.371	0.952	2	5	4	C[C@@H]1C[C@@H](NC(=O)CNC(=O)CC(C)(C)C)c2ncnn21
230731353	ZINC000450411619	ref	6.07	-21.41	0	322.43	1.774	1	4	5	CSc1cccc(C(=O)NC[C@@H]2CC[C@H](C(=O)N(C)C)O2)c1
230731355	ZINC000450412071	ref	5.11	-14.95	0	308.334	1.825	1	5	6	COC[C@@]1(C(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])CCOC1
214186847	ZINC000337626995	low	9.56	-36.44	1	273.384	3.136	1	4	6	Cn1ncc2c(NCCCCC3CCCC3)[nH+]cnc21
342596312	ZINC000616970755	ref	1.16	-15.07	0	289.154	1.129	2	3	2	O=C(N[C@H]1CCNC1=O)c1ccc(Br)s1
365637423	ZINC000617436989	ref	4.3	-17.8	0	293.371	0.952	2	5	6	CC(C)CCC(=O)NCC(=O)N[C@H]1C[C@H](C)n2ncnc21
342596313	ZINC000616969924	ref	2.01	-20.63	0	256.664	1.097	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(Cl)cc1F
197593834	ZINC000162814780	ref	3.52	-19.69	0	314.407	1.142	1	4	8	CCN(CCS(C)(=O)=O)C(=O)NCCOc1ccccc1
230731359	ZINC000450415118	ref	2.65	-13.16	0	311.447	1.658	1	4	4	C[C@H](c1ccccc1)[C@H](O)CN1CCS(=O)(=O)[C@H](C)[C@H]1C
365637427	ZINC000617436177	ref	5.38	-18.04	0	274.328	0.995	1	6	4	Cc1cnn(CCC(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1
342596314	ZINC000616970811	ref	3.13	-22.1	0	272.304	1.288	2	3	3	Cc1ccc2c(CC(=O)N[C@H]3CCNC3=O)coc2c1
365637433	ZINC000617439191	ref	4.22	-25.5	0	293.371	0.952	2	5	6	CC(C)CC(=O)NCCC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365637438	ZINC000617438504	ref	3.89	-8.17	0	254.33	0.54	1	3	5	CN(C[C@H]1CCCCO1)C(=O)CNC(=O)C1CC1
342596315	ZINC000616970896	ref	3.55	-17.79	0	298.795	1.825	2	3	4	C[C@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCNC1=O
365637451	ZINC000617438191	ref	5.87	-46.64	1	251.334	0.742	2	4	5	CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
342596316	ZINC000616975959	ref	7.57	-11.5	0	290.371	1.57	0	6	5	CC[C@@H](C)N(CC)C(=O)c1nnn(-c2ccn(C)n2)c1C
342596317	ZINC000616969891	ref	3.1	-18.66	0	286.253	1.253	2	2	3	O=C(Cc1ccc(C(F)(F)F)cc1)N[C@H]1CCNC1=O
342596318	ZINC000616970474	ref	2.83	-17.24	0	298.726	1.583	2	4	3	COC(=O)c1cc(NC(=O)N2CC(CO)C2)ccc1Cl
365637456	ZINC000617438191	mid	5.88	-46.55	1	251.334	0.742	2	4	5	CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
342596319	ZINC000616970706	ref	4.02	-17.5	0	260.337	1.575	2	2	5	CCC[C@@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
342596320	ZINC000616970766	ref	2.87	-19.11	0	276.336	1.23	2	3	5	CC(C)OCc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
365637461	ZINC000617438191	high	3.62	-16.28	0	251.334	0.742	1	5	5	CCCN(C)CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
178302884	ZINC000040310632	low	4.54	-26.27	1	204.273	1.725	1	2	2	Cc1cc2[nH+]c(CCO)n(C)c2cc1C
398245468	ZINC000649443720	ref	6.11	-4.97	0	238.334	3.536	1	2	2	Nc1ccc(-c2cccc(N3CCCC3)c2)cc1
365637431	ZINC000123294072	mid	5.44	-38.07	1	292.423	2.116	2	3	6	CC[C@@](C)(O)C[N@@H+](C)Cc1ccccc1N1CCOCC1
365637437	ZINC000123294072	high	4.45	-4.16	0	292.423	2.116	1	4	6	CC[C@@](C)(O)CN(C)Cc1ccccc1N1CCOCC1
199273079	ZINC000181260971	ref	9.08	-10.68	0	316.449	3.399	1	5	8	CCOc1ccccc1[C@H](CC(C)C)NCc1nnc(C)n1C
365637446	ZINC000123281966	ref	8.05	-10.06	0	283.412	2.464	0	3	6	CCCCO[C@H](C)C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
398245470	ZINC000649443757	ref	5.96	-9.96	0	246.31	2.421	0	4	5	COCCOc1ccccc1-c1cnn(C)c1C
398245472	ZINC000649440568	ref	8.28	-5.78	0	231.295	3.829	0	3	5	CCCCOc1ccccc1-c1cnoc1C
365637464	ZINC000123336276	ref	5.92	-8.48	0	279.384	2.384	1	3	5	CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(C)n[nH]1
398245474	ZINC000649443625	ref	8.5	-10.5	0	242.322	2.917	0	3	4	CC(=O)CCc1ccc(-c2cnn(C)c2C)cc1
365637472	ZINC000123336276	mid	5.76	-11.54	0	279.384	2.384	1	3	5	CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cc(C)[nH]n1
178302898	ZINC000022125092	ref	4.12	-5.17	0	243.129	2.949	1	3	0	Cc1cc2nc(N)sc2cc1Br
365637478	ZINC000123315667	ref	6.66	-21.07	0	285.303	2.144	1	4	2	CC(=O)N1CCc2cc(C(=O)Nc3nocc3C)ccc21
365637496	ZINC000123395920	ref	5.16	-41.41	1	252.402	2.043	1	2	6	C[C@H](CCN1CCOCC1)[NH2+]C[C@H]1CC=CCC1
398245476	ZINC000649440676	ref	6.49	-7.16	0	232.283	3.222	0	4	2	Cc1oncc1-c1cccc(OC(C)(C)C)n1
398245479	ZINC000649443699	ref	4.87	-14.45	0	227.271	1.677	0	5	1	Cc1c(-c2ccc3c(c2)nnn3C)cnn1C
398245480	ZINC000649440622	ref	6.32	-6.42	0	241.334	3.308	1	2	4	CC(C)[C@H](O)Cc1ccccc1-c1cccnc1
178302909	ZINC000040310707	ref	5.35	-12.67	0	243.31	2.102	1	4	4	Cc1cc2nc(CCO)n(CCC#N)c2cc1C
136229262	ZINC000184904031	ref	2.67	-15.27	0	210.277	0.432	2	2	6	CC#CCCCC(=O)NCCNC(C)=O
365637505	ZINC000123395920	low	7.57	-114.29	2	252.402	2.043	2	1	6	C[C@H](CC[NH+]1CCOCC1)[NH2+]C[C@H]1CC=CCC1
178302911	ZINC000040310707	low	5.81	-36.13	1	243.31	2.102	1	3	4	Cc1cc2[nH+]c(CCO)n(CCC#N)c2cc1C
178302913	ZINC000098177931	ref	4.45	-4.11	0	213.067	3.245	0	2	0	Cc1cc2nc(Cl)cnc2cc1Cl
365639308	ZINC000336555701	ref	4.76	-38.21	1	253.415	2.142	1	3	3	Cc1nc(C)c(CN2C[C@H](C)[C@H]([NH+](C)C)C2)s1
365637442	ZINC000336554479	ref	1.4	-16.41	0	290.71	2.478	3	3	3	NC(=O)Nc1cccc(NC(=O)c2ncccc2Cl)c1
230731370	ZINC000414306080	ref	5.93	-34.63	1	304.478	3.036	2	2	7	CC[C@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)[C@H](O)C(C)C
365637453	ZINC000336554485	ref	7.33	-12.01	0	255.239	2.249	0	1	2	O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC(F)C1
365637463	ZINC000336554993	ref	7.56	-37.28	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@@H]2CCCC[N@H+]2C[C@H]1C
365637469	ZINC000336554993	mid	7.04	-37.85	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C
365637476	ZINC000336554993	mid	7.2	-42.11	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@H+]1C[C@@H]2CCCCN2C[C@H]1C
365637482	ZINC000336554993	mid	7.67	-41.9	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@@H+]1C[C@@H]2CCCCN2C[C@H]1C
342596321	ZINC000616970008	ref	1.57	-15.96	0	279.148	1.673	2	3	2	O=C(N[C@H]1CCNC1=O)c1cc(Cl)sc1Cl
365637490	ZINC000336554993	high	5.31	-5.44	0	277.412	2.393	0	4	3	Cc1noc(C)c1CCN1C[C@@H]2CCCCN2C[C@H]1C
365637498	ZINC000336554337	ref	5.39	-13.26	0	282.343	2.223	1	3	2	Cc1ncccc1CC(=O)N1CCc2ccc(O)cc2C1
365637509	ZINC000336555077	ref	6.96	-38.44	1	250.342	2.232	1	3	3	Cc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)no1
365637514	ZINC000336555077	mid	6.68	-38.44	1	250.342	2.232	1	3	3	Cc1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)no1
365637518	ZINC000336555077	mid	4.53	-7.15	0	250.342	2.232	0	4	3	Cc1cc(CN2CCC[C@H]([C@H]3CCOC3)C2)no1
365637528	ZINC000336555012	ref	5.68	-38.67	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1
365637538	ZINC000336555012	mid	6.71	-37.46	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1
197593835	ZINC000290096662	ref	10.42	-13.7	0	264.76	2.974	0	4	3	Cc1nnc(N(C)[C@@H](C)c2ccccc2Cl)n1C
342596322	ZINC000616970600	ref	0.03	-17.39	0	298.726	1.063	3	4	4	CCOc1cc(C(=O)N[C@@H]2CCNC2=O)cc(Cl)c1O
342596323	ZINC000616970600	mid	0.95	-54.13	-1	298.726	1.063	2	4	4	CCOc1cc(C(=O)N[C@@H]2CCNC2=O)cc(Cl)c1[O-]
342596324	ZINC000616969937	ref	3.58	-17.54	0	278.377	1.491	2	3	2	C[C@H]1CCc2c(C(=O)N[C@H]3CCNC3=O)csc2C1
365637543	ZINC000336555012	low	7.79	-98.01	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)n1
365637548	ZINC000336555012	low	8.27	-100.37	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)n1
365637553	ZINC000336555012	low	7.79	-98.01	2	265.426	2.368	2	2	2	Cc1csc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1
342596325	ZINC000616970062	ref	2.56	-16.86	0	252.339	1.237	2	3	3	CCc1sc(C(=O)N[C@H]2CCNC2=O)cc1C
342596326	ZINC000616970839	ref	2.63	-16.83	0	280.349	1.024	2	4	5	Cc1ccc(C(=O)CCC(=O)N[C@H]2CCNC2=O)s1
214186848	ZINC000293600155	ref	6.99	-21.33	0	357.366	0.599	1	7	6	COC(=O)[C@H](NC(=O)CCn1cnccc1=O)c1ccc2c(c1)CCO2
342596327	ZINC000616970598	ref	3.13	-19.05	0	264.35	1.092	2	3	4	Cc1ccccc1SCC(=O)N[C@H]1CCNC1=O
342596328	ZINC000616970113	ref	1.37	-19.26	0	299.33	1.279	2	4	5	O=C(CCc1ncc(-c2ccccc2)o1)N[C@@H]1CCNC1=O
342596329	ZINC000003260118	ref	9.28	-20.47	0	265.272	1.784	0	5	1	Cc1c(C=O)c(=O)n2c3ccccc3n(C)c2c1C#N
342596330	ZINC000616970090	ref	3.47	-18.73	0	298.346	1.107	2	4	3	Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@H]1CCNC1=O
282122889	ZINC000449153965	high	6.36	-12.85	0	298.39	2.19	2	4	6	C[C@H](NC1CC1)C(=O)N[C@H](C)c1ccccc1-n1cccn1
282122896	ZINC000449153501	ref	3.31	-11.09	0	283.331	2.09	2	4	3	COc1cccc2c1CC[C@H]2NC(=O)c1ccc(N)cn1
282122898	ZINC000449154392	ref	7.43	-44.09	1	281.377	2.001	1	4	6	COC(=O)COC[C@@H](C)[NH2+][C@H]1CSc2ccccc21
282122903	ZINC000449154392	high	6.27	-9.42	0	281.377	2.001	1	5	6	COC(=O)COC[C@@H](C)N[C@H]1CSc2ccccc21
282123643	ZINC000338084509	ref	4.0	-11.31	0	338.423	3.137	3	3	6	CCC(CC)(CO)CNC(=O)N[C@H]1CCCOc2ccc(F)cc21
282123656	ZINC000370988838	ref	2.88	-9.22	0	312.454	2.288	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C
365637444	ZINC000274366315	mid	4.14	-9.8	0	261.329	1.036	1	4	3	O=C(Nc1cncnc1)N1CCN(CC2CC2)CC1
342596331	ZINC000616970729	ref	4.1	-17.74	0	260.337	1.503	2	2	4	CC(C)Cc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
365637452	ZINC000274364362	ref	4.27	-15.67	0	265.357	1.66	2	3	5	CC(C)O[C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1(C)C
230731378	ZINC000450412073	ref	5.51	-14.14	0	308.334	1.825	1	5	6	COC[C@@]1(C(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])CCOC1
342596332	ZINC000616970556	ref	3.3	-17.66	0	266.728	1.277	2	2	4	O=C(CCc1ccccc1Cl)N[C@@H]1CCNC1=O
342596333	ZINC000616970145	ref	4.34	-8.41	0	282.296	1.73	2	6	6	COC(=O)c1cc(NC[C@@H](C)CO)c(C)c([N+](=O)[O-])c1
342596334	ZINC000616970926	ref	3.91	-21.04	0	276.336	1.193	2	3	5	CC(C)c1ccc(OCC(=O)N[C@@H]2CCNC2=O)cc1
342596335	ZINC000616969956	ref	4.1	-16.84	0	276.336	1.34	2	3	5	C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@@H]2CCNC2=O)o1
365637460	ZINC000274364848	ref	5.07	-19.63	0	265.338	1.522	0	4	3	Cc1cc(N(C)C(=O)CN2CCSC2=O)ccn1
365637447	ZINC000623070464	mid	3.78	-15.21	0	318.402	1.891	2	5	1	O=C(Nc1nc2ccccc2s1)N1CC[C@@H]2OCCN[C@H]2C1
178302905	ZINC000237212790	ref	5.58	-45.26	1	359.47	1.092	2	3	6	COCCCNC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1
136229263	ZINC000232473018	ref	3.13	-35.64	1	234.299	1.257	2	3	4	c1cc(CNC[C@@H]2CCC[NH2+]2)c2c(c1)OCO2
136229264	ZINC000184907055	ref	5.94	-10.59	0	229.283	1.409	1	3	6	C#CCCCCNC(=O)/C=C/c1ccncn1
365637457	ZINC000623070706	ref	5.74	-46.61	1	318.421	1.322	1	4	4	CCn1cc(C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)cn1
365637465	ZINC000623070728	ref	2.73	-47.13	1	321.377	1.298	2	4	3	COc1cc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc(OC)c1
343994036	ZINC000079916936	ref	5.53	-11.66	0	292.379	2.314	1	4	8	C[C@@H](C[C@H]1CCCO1)NC(=O)CCCOc1cccnc1
365637474	ZINC000623070728	mid	1.43	-12.26	0	321.377	1.298	2	5	3	COc1cc(NC(=O)N2CC[C@@H]3OCCN[C@H]3C2)cc(OC)c1
365637483	ZINC000623069851	ref	3.36	-45.2	1	318.24	1.963	1	3	2	C[C@@H]1CCN(C(=O)c2ncc(Br)s2)C[C@@H]1C[NH3+]
365637494	ZINC000623070827	ref	1.3	-51.11	1	316.361	1.019	3	3	2	C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C[C@@]1(C)C[NH3+]
178302906	ZINC000237212790	mid	4.28	-14.02	0	359.47	1.092	2	4	6	COCCCNC(=O)C1CCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1
178302907	ZINC000237210028	ref	4.11	-48.32	1	356.875	1.855	1	3	4	CN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365637500	ZINC000623070827	high	-0.51	-75.5	0	316.361	1.019	2	3	2	C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@]1(C)C[NH3+]
398245469	ZINC000650857836	ref	-0.82	-10.96	0	299.396	1.353	3	5	5	Cc1nc([C@@H](C)NC(=O)NCC[C@@]2(O)CCOC2)cs1
178302908	ZINC000237201603	ref	6.03	-90.84	2	361.486	1.402	3	3	8	C[N@H+](CCOc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1)C1CCOCC1
178302910	ZINC000237201603	mid	6.25	-91.37	2	361.486	1.402	3	3	8	C[N@@H+](CCOc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1)C1CCOCC1
178302912	ZINC000237220743	ref	6.59	-100.62	2	357.857	1.796	2	3	8	COCC[NH2+]CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1
365637506	ZINC000623070573	ref	2.76	-55.24	1	301.354	1.001	2	5	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3ccccn3)C2)nn1
365637517	ZINC000623070573	high	2.35	-17.27	0	301.354	1.001	2	6	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3ccccn3)C2)nn1
365637525	ZINC000623070550	ref	3.13	-47.04	1	319.361	1.052	2	4	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H]2OCC[NH2+][C@H]2C1
398245471	ZINC000650857875	ref	1.91	-10.68	0	267.329	1.774	1	4	4	CC[C@@H]1CN(C(=O)NCc2cocn2)[C@H](CC)CO1
398245475	ZINC000650858121	ref	2.11	-10.91	0	299.396	1.304	2	5	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)c1csc(C)n1
365637459	ZINC000576600291	high	5.14	-10.06	0	239.319	1.017	1	5	5	COC(=O)C(C)(C)CNCc1cnc(C)n1C
230731403	ZINC000414307121	ref	5.94	-38.86	1	309.45	3.158	2	3	10	CC[C@H]([NH2+][C@H](C)c1ccc(OCCOC)cc1)[C@@H](O)C(C)C
365637467	ZINC000175983001	ref	7.99	-7.57	0	207.317	2.434	0	1	2	CC1(C)CCCN1C(=O)[C@@H]1C[C@H]1C1CC1
178302914	ZINC000237220743	low	7.14	-99.5	2	357.857	1.796	3	2	8	COCC[NH2+]CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1
178302915	ZINC000237220743	low	2.33	-10.76	0	357.857	1.796	3	2	8	COCC[NH2+]CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1
178302916	ZINC000237220743	high	2.33	-10.76	0	357.857	1.796	2	4	8	COCCNCC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1
178302917	ZINC000237201260	ref	4.12	-47.96	1	358.364	1.008	2	3	5	C[NH2+]CC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
178302920	ZINC000237201260	high	2.68	-13.66	0	358.364	1.008	2	4	5	CNCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
178302922	ZINC000237220795	ref	4.22	-50.84	1	353.488	1.333	2	3	7	C[NH2+]C[C@@H](C)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
178305426	ZINC000044183875	ref	6.2	-9.12	0	218.3	2.424	1	3	3	Cc1cc2ncn(CC[C@@H](C)O)c2cc1C
365637484	ZINC000175975124	ref	5.43	-8.99	0	225.332	2.204	0	2	3	CCC1(C(=O)N2CCC[C@@H](OC)C2)CCC1
282122891	ZINC000151665143	low	6.74	-116.58	2	307.404	2.477	2	1	6	CC[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)[NH+]1CCCC1
398245477	ZINC000650857009	ref	3.59	-9.32	0	298.358	1.884	2	3	7	COCc1cc(CNC(=O)N(C)[C@H](C)CCO)ccc1F
365637503	ZINC000576600236	ref	7.61	-11.09	0	243.328	2.422	0	5	6	CCc1nocc1CSCC(=O)OC(C)C
365637521	ZINC000576601200	ref	5.14	-12.85	0	248.33	2.663	1	3	2	CC[C@@H]1CCCCCN1C(=O)Nc1ccnnc1
365637529	ZINC000576605560	ref	3.34	-6.81	0	234.299	2.354	1	3	2	Cc1nc(C(=O)N[C@@H]2CC23CCCC3)c(C)o1
365637537	ZINC000576601845	ref	10.82	-41.72	1	248.414	3.827	1	1	4	CC(C)CCC1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1
365637550	ZINC000576602707	ref	3.33	-7.4	0	223.663	1.767	1	3	2	CC(C)(C#N)NC(=O)c1ncccc1Cl
259308353	ZINC000526042168	ref	7.09	-6.96	0	242.326	2.295	1	4	3	C[C@@H]1CC[C@H](CNc2ncnc3ccncc23)C1
365637563	ZINC000576599716	ref	6.13	-45.88	1	249.358	1.776	1	3	4	Cc1ncc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)n1C
398249478	ZINC000650875369	ref	4.48	-6.48	0	254.305	1.006	1	2	3	O=C(NC1CC1)C1(C(=O)N2CC[C@H](F)C2)CCC1
365637462	ZINC000625082926	ref	5.4	-18.47	0	310.3	2.294	1	3	6	COCCN(CC(F)F)C(=O)c1cccc2cc(=O)[nH]cc12
365637471	ZINC000625083009	ref	7.24	-10.32	0	320.437	2.34	0	6	5	CC[C@H](C)c1nnc(N2CC3(CCCO3)C2)n1C[C@@H]1CCCO1
365637477	ZINC000625079713	ref	7.04	-11.53	0	320.437	2.124	0	6	3	CC(C)(C)c1nnc(N2CC3(CCCO3)C2)n1C[C@H]1CCCO1
365637485	ZINC000625082117	ref	5.59	-13.17	0	322.453	2.178	1	6	5	CC(C)c1nnc(N2CC[C@@H](CO)C[C@H]2C)n1C[C@@H]1CCCO1
398245481	ZINC000650857952	ref	-1.11	-12.83	0	293.298	1.735	3	4	5	C[C@H](O)[C@@H](NC(=O)NCc1cocn1)c1ccccc1F
365637495	ZINC000625082188	ref	4.63	-10.1	0	305.346	2.073	0	3	2	Cc1ccc(S(=O)(=O)N2CCCOC[C@H]2C)c(F)c1F
365637504	ZINC000625081139	ref	5.56	-41.12	1	308.397	2.199	3	2	6	CCCC(=O)NC1CC[NH+](Cc2cc(CO)ccc2F)CC1
342079494	ZINC000625307071	ref	7.98	-13.67	0	294.399	1.805	0	5	5	CCO[C@H](C(=O)N1CCn2c(nnc2C(C)C)C1)C(C)C
365637516	ZINC000625081139	mid	3.17	-10.31	0	308.397	2.199	2	3	6	CCCC(=O)NC1CCN(Cc2cc(CO)ccc2F)CC1
365637524	ZINC000625083093	ref	6.52	-15.12	0	314.389	2.245	1	6	4	CCc1nnc(N2Cc3ccc(O)cc3C2)n1C[C@@H]1CCCO1
178305320	ZINC000237282840	ref	5.06	-53.94	1	359.451	1.802	1	3	4	C[NH2+]C[C@H]1CCCN1S(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2C
178305324	ZINC000237273833	ref	4.03	-54.13	1	355.479	1.559	1	4	7	COc1ccc(CN2CCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1F
178305325	ZINC000237273833	low	6.43	-116.36	2	355.479	1.559	2	3	7	COc1ccc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1F
282122892	ZINC000248976138	mid	2.81	-34.18	1	307.419	1.769	3	5	7	C[C@H](O)C[N@@H+](Cc1csc(-c2ccccn2)n1)[C@H](C)CO
178305327	ZINC000237273833	high	3.71	-11.57	0	355.479	1.559	1	5	7	COc1ccc(CN2CCN(C(=O)[C@@H](N)CCSC)CC2)cc1F
365637536	ZINC000625080697	ref	4.72	-10.12	0	317.357	2.217	0	3	2	Cc1ccc(S(=O)(=O)N2CCOCC23CCC3)c(F)c1F
365637544	ZINC000625082765	ref	4.53	-11.39	0	324.446	2.158	0	4	3	CC1(C)C[C@@H](S(=O)(=O)N2CCC(c3ccccn3)CC2)CO1
168364854	ZINC000083267793	ref	3.1	-91.16	2	142.246	0.675	2	0	2	C[C@@H]([NH3+])C[C@H]1CC[N@H+](C)C1
365637551	ZINC000625082441	ref	4.69	-13.07	0	320.437	2.416	0	5	5	CC(C)N(C)C(=O)C1CCN(Cc2noc(C3CCC3)n2)CC1
282122897	ZINC000248975371	ref	1.0	-9.16	0	312.435	1.14	2	3	5	C[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CO
168364857	ZINC000083267793	mid	3.12	-90.74	2	142.246	0.675	2	0	2	C[C@@H]([NH3+])C[C@H]1CC[N@@H+](C)C1
342596336	ZINC000616970089	ref	3.47	-19.82	0	298.346	1.107	2	4	3	Cc1nn(-c2ccccc2)c(C)c1C(=O)N[C@@H]1CCNC1=O
365637466	ZINC000617438516	ref	3.65	-9.21	0	291.351	0.839	1	4	5	CN(C[C@H]1CCCCO1)C(=O)CNC(=O)c1ccncc1
365637475	ZINC000617438040	ref	6.56	-44.25	1	265.361	0.986	2	4	4	CC(C)[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)[NH+](C)C
230731423	ZINC000414305982	ref	8.81	-17.56	0	301.496	3.066	0	2	10	CC(C)CCN(CCC(C)C)C(=O)C[S@](=O)CC1CC1
342596337	ZINC000616969935	ref	3.57	-17.49	0	278.377	1.491	2	3	2	C[C@H]1CCc2c(C(=O)N[C@@H]3CCNC3=O)csc2C1
290622701	ZINC000492523777	ref	4.73	-14.16	0	299.374	2.425	2	4	6	Cc1cc(C)n(CCCNC(=O)/C=C\c2cccc(O)c2)n1
290622704	ZINC000492521967	ref	3.79	-11.04	0	290.363	2.035	1	4	5	COc1cncc(/C=C/C(=O)NC[C@@H]2CCO[C@@H](C)C2)c1
365637480	ZINC000617438040	high	4.69	-16.5	0	265.361	0.986	1	5	4	CC(C)[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)N(C)C
342596338	ZINC000616969837	ref	3.35	-17.98	0	296.754	1.502	2	3	4	CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@@H]1CCNC1=O
365637487	ZINC000617435398	ref	7.36	-23.97	0	283.295	0.757	1	7	2	C[C@H]1C[C@H](NC(=O)c2ccc3nncn3c2)c2ncnn21
282123683	ZINC000449156106	high	3.5	-6.88	0	272.295	2.3	2	3	6	CCCN[C@@H](C)C(=O)Nc1cc(F)cc(F)c1OC
349535068	ZINC000093279159	mid	1.88	-13.25	0	256.346	0.771	1	4	4	COC(=O)C(C)(C)[C@H]1CCCN([C@H](C)C(N)=O)C1
342596339	ZINC000616970739	ref	4.34	-16.33	0	260.337	1.186	2	2	5	CCc1ccc(CCC(=O)N[C@H]2CCNC2=O)cc1
230731439	ZINC000414305271	ref	8.29	-18.11	0	313.85	3.018	0	2	6	C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[S@](=O)CC1CC1
365637492	ZINC000617438099	ref	4.54	-26.32	0	297.322	0.996	1	7	2	C[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)nnn3C)c2ncnn21
365637497	ZINC000617436758	ref	4.49	-24.33	0	280.328	0.596	1	6	5	C[C@@H]1C[C@@H](NC(=O)COC[C@H]2CCCO2)c2ncnn21
230731450	ZINC000414306968	ref	6.61	-52.39	1	302.393	3.428	2	2	8	CCC[C@H]([NH2+]C[C@@H](CO)c1ccc(F)cc1)c1cccnc1
365637508	ZINC000617438189	ref	5.89	-47.79	1	251.334	0.742	2	4	5	CCC[N@H+](C)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
190493863	ZINC000269430360	ref	3.63	-20.24	0	270.285	-0.407	1	5	6	COC(=O)C[C@H](C)NC(=O)CCN1C(=O)CCC1=O
214186849	ZINC000278487180	ref	5.22	-58.29	1	312.391	1.332	3	5	7	O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C[C@H]2CCSC2)cc1
230731456	ZINC000414305894	ref	6.37	-47.08	1	307.434	3.122	2	3	8	CC[C@H]([NH2+][C@@H](C)CCc1ccc2c(c1)OCO2)[C@@H](O)C(C)C
365637511	ZINC000617438189	mid	5.9	-47.76	1	251.334	0.742	2	4	5	CCC[N@@H+](C)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
342596340	ZINC000616969888	ref	4.5	-19.81	0	290.363	1.368	2	3	4	CC(C)(C)c1ccccc1OCC(=O)N[C@H]1CCNC1=O
342596341	ZINC000616970724	ref	3.23	-19.3	0	264.35	1.092	2	3	4	Cc1ccc(SCC(=O)N[C@@H]2CCNC2=O)cc1
342596342	ZINC000616970754	ref	1.16	-15.06	0	289.154	1.129	2	3	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Br)s1
365637468	ZINC000274367412	ref	3.45	-14.94	0	288.311	1.58	1	6	2	Cc1noc(C2CCN(C(=O)Nc3cncnc3)CC2)n1
342596343	ZINC000616970798	ref	4.56	-17.42	0	292.404	1.79	2	3	5	Cc1ccc(SCCC(=O)N[C@@H]2CCNC2=O)cc1C
342596344	ZINC000616969936	ref	3.58	-17.48	0	278.377	1.491	2	3	2	C[C@@H]1CCc2c(C(=O)N[C@H]3CCNC3=O)csc2C1
365637481	ZINC000274366822	ref	3.66	-12.86	0	262.284	1.434	2	2	5	NC(=O)[C@H](NC(=O)/C=C/C1CC1)c1ccc(F)cc1
365637488	ZINC000274365409	ref	3.54	-6.43	0	276.34	1.358	2	4	3	C[C@H]1CCCC[C@H]1CNC(=O)C(=O)Nc1cncnc1
197593874	ZINC000290096305	ref	4.0	-12.36	0	266.341	1.883	1	4	7	CCOCC(C)(C)CNC(=O)c1cccnc1OC
230731433	ZINC000450414909	ref	5.37	-14.15	0	315.299	1.395	2	6	4	C[C@@H]1C[C@H]1c1nnc2ccc(NC[C@](C)(O)C(F)(F)F)nn12
342596345	ZINC000616970909	ref	2.41	-20.24	0	269.304	1.162	2	3	2	Cc1cc(C(=O)N[C@H]2CCNC2=O)c2ccccc2n1
365637493	ZINC000274364605	ref	1.85	-13.27	0	289.335	1.172	2	4	4	CCC(=O)CNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2C
342596346	ZINC000616969938	ref	3.58	-17.57	0	278.377	1.491	2	3	2	C[C@@H]1CCc2c(C(=O)N[C@@H]3CCNC3=O)csc2C1
342596347	ZINC000616970908	ref	2.41	-20.58	0	269.304	1.162	2	3	2	Cc1cc(C(=O)N[C@@H]2CCNC2=O)c2ccccc2n1
365637502	ZINC000274365212	ref	1.94	-10.85	0	280.372	1.724	3	3	5	CCC1(CNC(=O)NCc2c[nH]nc2C)CCOCC1
365637515	ZINC000274365212	mid	1.96	-10.36	0	280.372	1.724	3	3	5	CCC1(CNC(=O)NCc2cn[nH]c2C)CCOCC1
342596348	ZINC000616970719	ref	4.28	-23.19	0	284.315	1.223	2	3	4	O=C(COc1cccc2ccccc12)N[C@H]1CCNC1=O
342596349	ZINC000616970557	ref	3.31	-16.21	0	266.728	1.277	2	2	4	O=C(CCc1ccccc1Cl)N[C@H]1CCNC1=O
365637522	ZINC000274366422	ref	3.31	-13.5	0	294.38	1.653	2	5	2	O=C(Nc1cncnc1)N[C@H]1CCO[C@@]2(CCSC2)C1
365637531	ZINC000274365586	ref	3.65	-33.46	1	290.411	1.793	2	3	6	CCCNC(=O)CN1CCC(Nc2cc[nH+]c(C)c2)CC1
342596350	ZINC000616970897	ref	3.53	-17.77	0	298.795	1.825	2	3	4	C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@@H]1CCNC1=O
342596351	ZINC000616970927	ref	3.91	-21.02	0	276.336	1.193	2	3	5	CC(C)c1ccc(OCC(=O)N[C@H]2CCNC2=O)cc1
178302923	ZINC000237203041	ref	3.97	-49.84	1	366.27	1.046	1	3	4	C[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
178302924	ZINC000237203041	high	2.54	-13.55	0	366.27	1.046	1	4	4	CNCC(=O)N1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
398245482	ZINC000649443678	ref	6.59	-7.36	0	241.338	2.996	0	3	2	Cc1c(-c2cccc(N3CCCC3)c2)cnn1C
282122894	ZINC000116787941	ref	8.37	-45.7	1	346.431	0.519	1	5	5	Cn1c(=O)n(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c2ccccc21
178302925	ZINC000237221439	ref	3.31	-8.58	0	356.264	1.38	2	3	7	COCC[NH2+]CC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1
282123685	ZINC000449156105	ref	4.63	-42.89	1	272.295	2.3	2	2	6	CCC[NH2+][C@H](C)C(=O)Nc1cc(F)cc(F)c1OC
214186855	ZINC000337627868	ref	2.62	-21.55	0	277.324	0.573	2	4	7	CN(CCOCCO)C(=O)Cc1ccc2c[nH]nc2c1
214186860	ZINC000337626668	ref	2.49	-12.99	0	296.367	0.888	2	4	9	COc1ccc(CCNC(=O)N(C)CCOCCO)cc1
214186864	ZINC000337625289	ref	6.59	-43.74	1	284.444	2.116	2	2	7	CCCC[C@H](C)C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1
178302926	ZINC000237221439	high	3.31	-8.58	0	356.264	1.38	2	4	7	COCCNCC(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1
178302927	ZINC000237210524	ref	6.04	-75.93	2	360.502	1.641	3	3	6	C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1
214186867	ZINC000337625289	mid	6.29	-44.71	1	284.444	2.116	2	2	7	CCCC[C@H](C)C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1
214186870	ZINC000337626168	ref	-0.76	-14.2	0	270.333	-0.135	3	3	3	NC(=O)NC[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)C1
178302928	ZINC000237210524	mid	3.68	-37.43	1	360.502	1.641	2	4	6	CN1CCN(CCOc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1
214186874	ZINC000337624988	ref	5.92	-9.37	0	265.235	2.038	2	3	4	CO[C@@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)C(C)C
342596352	ZINC000616970819	ref	4.6	-20.54	0	290.363	1.502	2	3	5	Cc1ccc(C(C)C)cc1OCC(=O)N[C@H]1CCNC1=O
214186877	ZINC000337624988	mid	5.96	-8.18	0	265.235	2.038	2	3	4	CO[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)C(C)C
214186880	ZINC000337625238	ref	4.79	-12.33	0	285.413	2.267	1	5	6	CC[C@@H](C)OCC(=O)NCc1nnc(C(C)(C)C)s1
214186884	ZINC000337627939	ref	6.03	-12.18	0	266.316	2.146	1	2	4	CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCOC1
214186888	ZINC000337626458	ref	6.22	-41.23	1	273.38	2.069	3	1	4	O=C(NCC[NH+]1CCC1)N[C@H]1CCCc2ccccc21
214186891	ZINC000337626458	mid	3.03	-10.38	0	273.38	2.069	2	2	4	O=C(NCCN1CCC1)N[C@H]1CCCc2ccccc21
349535070	ZINC000258905410	ref	7.08	-123.13	2	246.398	2.822	2	0	5	CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1
230731426	ZINC000425464251	ref	5.42	-9.05	0	310.438	2.308	2	3	8	O=C(NCCCOCC1CCOCC1)N[C@@H]1C[C@H]1C1CCC1
178302929	ZINC000237210524	mid	5.98	-77.82	2	360.502	1.641	3	3	6	CN1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1
178302930	ZINC000237205098	ref	5.03	-46.87	1	359.401	1.93	3	3	9	COCC[NH2+]CC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
178302931	ZINC000237205098	high	3.68	-16.3	0	359.401	1.93	3	4	9	COCCNCC(=O)NCc1cccc(NC(=O)c2ccc(F)cc2)c1
282122895	ZINC000151664632	ref	3.3	-10.51	0	317.345	2.465	1	6	5	Cc1noc(COc2ccc(NC(=O)[C@]3(C)CCCO3)cc2)n1
178302932	ZINC000237210327	ref	4.83	-50.87	1	360.332	1.915	2	4	6	COC(=O)C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(OC(F)(F)F)cc1
178302933	ZINC000237205348	ref	5.46	-92.81	2	372.473	1.073	3	5	8	C[NH+](C)CCOc1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1
282122899	ZINC000151678994	ref	4.38	-9.76	0	322.796	2.472	2	4	6	CCOc1cc(Cl)ccc1CNC(=O)NCc1ccnn1C
214186851	ZINC000053552152	ref	7.58	-13.6	0	343.387	2.551	2	6	7	CCNC(=O)[C@H](C)Nc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1
214186858	ZINC000053532561	ref	3.33	-50.54	1	339.28	1.636	1	3	5	O=S1(=O)CCCN1CC[NH2+]Cc1cc(Br)cs1
178302934	ZINC000237205348	high	2.99	-55.27	1	372.473	1.073	2	6	8	CN(C)CCOc1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1
214186866	ZINC000053532561	high	1.97	-12.12	0	339.28	1.636	1	4	5	O=S1(=O)CCCN1CCNCc1cc(Br)cs1
398245483	ZINC000650858182	ref	0.4	-8.37	0	275.349	1.532	3	4	6	Cc1nc([C@@H](C)NC(=O)N[C@@H](CO)CCF)cs1
398245485	ZINC000650858467	ref	-1.85	-10.71	0	255.318	1.271	3	4	7	CCC[C@H](C)[C@@H](CO)NC(=O)NCc1cocn1
178302935	ZINC000237203118	ref	7.54	-94.99	2	359.514	1.925	3	2	7	COCCC[NH+]1CCC(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1
178302936	ZINC000237212553	ref	4.86	-43.29	1	351.491	1.298	2	3	6	COCCCNC(=O)C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1
178302937	ZINC000237204479	ref	5.74	-100.67	2	360.437	1.374	3	4	6	C[NH+](C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1
178302938	ZINC000237204479	mid	3.21	-54.27	1	360.437	1.374	2	5	6	CN(C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccc(F)cc1
178302939	ZINC000237210479	ref	6.29	-86.95	2	360.502	1.783	3	3	6	C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1
398245488	ZINC000650857838	ref	-0.82	-11.02	0	299.396	1.353	3	5	5	Cc1nc([C@H](C)NC(=O)NCC[C@@]2(O)CCOC2)cs1
342596353	ZINC000616969838	ref	3.35	-19.07	0	296.754	1.502	2	3	4	CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1CCNC1=O
214190452	ZINC000278494116	low	3.85	-70.55	1	306.362	2.147	1	3	3	Cc1nc(F)ccc1C[NH2+][C@@H]1CS(=O)(=O)c2ccccc21
230731437	ZINC000425465288	ref	4.05	-10.75	0	304.325	2.376	2	4	4	Cc1noc([C@H](C)NC(=O)N[C@@H]2C[C@]2(F)c2ccccc2)n1
365637470	ZINC000641603978	ref	1.66	-12.88	0	289.397	1.044	1	4	6	CCO[C@]1(CS(=O)(=O)N[C@]23CCC[C@H]2C3)CCOC1
365637479	ZINC000641604306	ref	4.68	-21.04	0	296.334	1.687	1	6	2	Cc1cnn([C@@H]2CCN(c3ccc4nc[nH]c(=O)c4n3)C2)c1
365637489	ZINC000641604305	ref	1.2	-10.24	0	261.387	1.257	2	3	6	CC1(CS(=O)(=O)N[C@@H](CO)C2CCC2)CCC1
365637501	ZINC000641604304	ref	1.2	-10.23	0	261.387	1.257	2	3	6	CC1(CS(=O)(=O)N[C@H](CO)C2CCC2)CCC1
365637510	ZINC000395393405	ref	4.19	-53.9	-1	286.372	1.434	2	4	5	CC1(C)C[C@@H](O)CCN(C(=O)NCCCCC(=O)[O-])C1
365637523	ZINC000641604487	ref	4.02	-19.69	0	294.376	1.222	0	5	1	C[C@@H]1CN(c2ccc3c(n2)C(=O)CC3)C[C@@H](C)S1(=O)=O
230731457	ZINC000425467604	ref	7.3	-38.99	1	321.465	2.071	2	2	5	C[N@H+](CCNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)C1CC1
178305323	ZINC000000616907	ref	8.99	-8.21	0	202.301	3.309	0	2	2	Cc1cc2ncn(CC(C)C)c2cc1C
230731459	ZINC000425467604	mid	7.29	-38.69	1	321.465	2.071	2	2	5	C[N@@H+](CCNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)C1CC1
342596354	ZINC000616969954	ref	4.11	-17.75	0	276.336	1.34	2	3	5	C[C@@H]1C[C@H]1c1ccc(CCC(=O)N[C@H]2CCNC2=O)o1
230731461	ZINC000425467604	high	4.85	-9.76	0	321.465	2.071	1	3	5	CN(CCNC(=O)N1CC2(CCC2)[C@H]1C1CCOCC1)C1CC1
365637532	ZINC000641604728	ref	5.17	-11.59	0	275.323	1.841	1	2	2	O=C(N1C[C@H]2C[C@@]2(O)C1)C1(c2ccc(F)cc2)CCC1
282122900	ZINC000248975371	mid	3.15	-46.95	1	312.435	1.14	2	3	5	C[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CO
168364861	ZINC000368499206	ref	10.75	-19.65	0	334.423	3.353	0	4	3	Cc1cc(C(=O)N2CCC[C@H]2Cn2ccnc2)c2nccc(C)c2c1
365637542	ZINC000641604615	ref	2.56	-7.73	0	260.297	1.231	1	6	5	COc1ccc(CNc2ncncc2C)c(OC)n1
365639312	ZINC000336555326	ref	4.77	-11.98	0	298.745	2.124	2	2	3	CNC(=O)[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1F
365639320	ZINC000336555613	ref	7.45	-35.25	1	261.365	2.487	1	2	3	c1ccc([C@@H]2COCC[N@H+]2C[C@@H]2CCCOC2)cc1
349535071	ZINC000594969706	high	6.5	-6.49	0	291.395	2.866	1	4	5	Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCN1C(C)(C)C
365639325	ZINC000336555613	mid	6.94	-34.57	1	261.365	2.487	1	2	3	c1ccc([C@@H]2COCC[N@@H+]2C[C@@H]2CCCOC2)cc1
168364858	ZINC000006678397	ref	0.85	-38.91	1	159.229	0.529	1	2	4	C[C@@H]([NH3+])COC[C@@H]1CCCO1
342079495	ZINC000625306646	ref	9.8	-13.83	0	280.331	1.206	0	4	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCn2cnnc2C1
168364863	ZINC000019282451	ref	4.15	-34.94	1	171.19	1.855	1	0	2	C[C@@H]([NH3+])Cc1c(F)cccc1F
168364866	ZINC000002015326	ref	4.24	-32.87	1	192.237	2.197	2	0	2	C[C@@H]([NH3+])Cc1c[nH]c2cccc(F)c12
342079496	ZINC000530884946	ref	7.39	-13.44	0	264.369	1.956	0	2	5	C=CCCCC(=O)N1CCC[C@@H](N2CCCC2=O)C1
365637499	ZINC000354710088	ref	4.05	-21.06	0	295.404	1.826	1	3	5	COc1ccc([C@H](C)CC(=O)N[C@@H]2CC[S@@](=O)C2)cc1
230731452	ZINC000450416184	ref	8.4	-12.06	0	314.389	1.416	1	5	7	CO[C@H](Cc1ccccc1)C(=O)NCc1ccnc(N(C)C)n1
349535072	ZINC000093285583	ref	3.03	-41.94	1	284.404	0.683	4	2	4	C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCC(=O)NC(C)(C)C)C1
197593877	ZINC000162815765	ref	4.74	-35.11	1	314.183	2.451	1	3	2	CN1CCC[C@@H]([NH3+])[C@@H]1c1ccc(Br)cc1[N+](=O)[O-]
214186852	ZINC000278487874	ref	6.39	-14.52	0	322.38	2.406	0	4	3	C[C@H]1OCCC[C@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
230731455	ZINC000450412080	ref	7.5	-19.12	0	317.299	1.715	1	6	2	O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(c2ccc3nncn3n2)C1
365637507	ZINC000354710255	ref	4.56	-5.07	0	259.353	1.928	0	4	3	Cc1ncc(CN2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1
230731460	ZINC000450413627	ref	5.2	-12.88	0	312.369	1.967	1	4	4	C[C@H](Oc1ccccn1)C(=O)N1CCc2ccccc2[C@@H]1CO
365637513	ZINC000354710255	low	7.28	-38.91	1	259.353	1.928	1	3	3	Cc1ncc(C[N@@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1
365637519	ZINC000354710255	low	6.51	-38.28	1	259.353	1.928	1	3	3	Cc1ncc(C[N@H+]2C[C@@]3(CCCO3)[C@H]2C2CC2)cn1
230731466	ZINC000450415459	ref	3.6	-10.46	0	306.41	1.607	2	5	8	C[C@H](CCO)C1(CNC(=O)c2cn(CC3CC3)nn2)CCC1
365637527	ZINC000354711474	ref	4.51	-8.2	0	259.313	1.642	1	6	3	C[C@H]1C[C@@H](Nc2cncc(-n3cccn3)n2)CCO1
365637533	ZINC000354710913	ref	3.84	-22.7	0	298.433	1.342	1	4	6	O=C(CCSCc1ccccn1)N[C@@H]1CC[S@@](=O)C1
168364873	ZINC000082587502	ref	3.65	-35.73	1	138.214	0.915	1	1	2	C[C@@H]([NH3+])Cc1ccn(C)c1
365637545	ZINC000354710947	ref	8.73	-82.27	2	283.46	1.956	3	1	9	CC[NH+](CC)CCCCNC(=O)C[NH+]1CCC(C)CC1
168364876	ZINC000083592088	ref	0.62	-44.68	1	190.243	0.79	2	3	3	C[C@@H]([NH3+])CONC(=O)OC(C)(C)C
342079497	ZINC000625306664	ref	7.0	-10.79	0	282.298	1.779	1	5	6	CN(CC(F)F)c1nnc(-c2cn[nH]c2)n1CC1CC1
168364881	ZINC000003651180	ref	5.92	-39.99	1	175.275	2.065	1	0	2	C[C@@H]([NH3+])Cc1ccc2c(c1)CCC2
168364860	ZINC000370965100	mid	7.73	-99.35	2	221.348	2.224	1	1	5	CCC(CC)C[NH2+][C@H]1CCc2[nH+]ccn2C1
365637512	ZINC000123334564	ref	7.79	-38.15	1	299.484	2.396	2	2	2	CN(C(=O)NC1CC[NH+](C(C)(C)C)CC1)[C@H]1CCSC1
398245484	ZINC000649440726	ref	8.31	-9.59	0	237.302	3.658	0	2	1	O=C1CCCCc2ccc(-c3cccnc3)cc21
178302940	ZINC000237210479	mid	3.93	-48.97	1	360.502	1.783	2	4	6	CN1CCN(CCOc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1
342079498	ZINC000625305661	ref	1.91	-43.91	1	265.357	1.78	1	4	6	CC[C@H]([NH2+]Cc1cncc(OC)n1)C1CCOCC1
178302941	ZINC000237210479	mid	6.22	-88.07	2	360.502	1.783	3	3	6	CN1CC[NH+](CCOc2ccc(NC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1
342079499	ZINC000625305661	high	1.09	-4.99	0	265.357	1.78	1	5	6	CC[C@H](NCc1cncc(OC)n1)C1CCOCC1
178302942	ZINC000237210479	high	2.71	-8.74	0	360.502	1.783	2	5	6	CN1CCN(CCOc2ccc(NC(=O)[C@@]3(C)CCCCN3)cc2)CC1
214186854	ZINC000278488928	ref	6.74	-6.24	0	320.234	3.302	0	3	3	CN(Cc1c(Br)cnn1C)[C@H]1CCc2ccccc21
214186856	ZINC000278488928	low	8.86	-39.89	1	320.234	3.302	1	2	3	Cn1ncc(Br)c1C[N@H+](C)[C@H]1CCc2ccccc21
178302943	ZINC000237220098	ref	7.04	-50.95	1	364.511	1.797	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)CCS(=O)(=O)c2ccc3c(c2)CCC3)C1
178302945	ZINC000237204456	ref	5.77	-46.3	1	369.465	1.777	3	3	10	COCC[NH2+]CC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1
230731472	ZINC000425466964	ref	6.82	-19.52	0	302.334	2.129	2	4	5	N#C[C@H]1CC[C@@H](NC(=O)NCCc2cccc([N+](=O)[O-])c2)C1
342079500	ZINC000625306866	ref	6.6	-14.8	0	285.351	1.719	0	5	4	O=C(c1cnn(C2CC2)c1)N1CCC[C@H]1Cn1cccn1
342079501	ZINC000625306771	ref	3.52	-48.16	1	266.389	1.278	2	4	7	Cn1cc(CC[NH2+][C@H](CCO)C2CCCCC2)nn1
342079502	ZINC000625305550	ref	7.92	-12.42	0	260.341	1.509	0	4	1	Cc1nnc2n1CCN(C(=O)[C@H]1CCCC13CC3)C2
342079503	ZINC000625306645	ref	9.91	-13.09	0	280.331	1.206	0	4	1	O=C([C@@H]1[C@H]2Cc3ccccc3[C@H]21)N1CCn2cnnc2C1
342079504	ZINC000046600895	ref	4.04	-9.51	0	280.368	1.787	1	4	8	COCCN(CC(=O)NC1CCCC1)Cc1ccco1
342079505	ZINC000046600895	low	5.89	-37.19	1	280.368	1.787	2	3	8	COCC[N@H+](CC(=O)NC1CCCC1)Cc1ccco1
342079506	ZINC000046600895	low	5.9	-38.47	1	280.368	1.787	2	3	8	COCC[N@@H+](CC(=O)NC1CCCC1)Cc1ccco1
342079507	ZINC000625305638	ref	6.81	-21.73	0	298.431	1.964	1	2	5	CCN(CC)C(=O)N[C@@H]1CCCN(C(=O)N(CC)CC)C1
197593879	ZINC000162820270	ref	6.6	-10.99	0	315.421	2.938	1	4	4	Cc1c(C(=O)N2CCCC[C@H]2c2cn[nH]c2)cnn1CC(C)C
342596355	ZINC000616969887	ref	4.5	-19.82	0	290.363	1.368	2	3	4	CC(C)(C)c1ccccc1OCC(=O)N[C@@H]1CCNC1=O
342596356	ZINC000616970522	ref	3.9	-21.82	0	297.358	1.665	3	2	2	O=C(N[C@H]1CCNC1=O)c1ccc2[nH]c3c(c2c1)CCCC3
282123689	ZINC000449156105	high	3.39	-5.85	0	272.295	2.3	2	3	6	CCCN[C@H](C)C(=O)Nc1cc(F)cc(F)c1OC
365637520	ZINC000617438189	high	3.63	-16.87	0	251.334	0.742	1	5	5	CCCN(C)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365637526	ZINC000617437701	ref	5.06	-25.45	0	283.295	0.757	1	7	2	C[C@@H]1C[C@H](NC(=O)c2nccn3ccnc23)c2ncnn21
365637534	ZINC000617436760	ref	4.55	-23.54	0	280.328	0.596	1	6	5	C[C@@H]1C[C@@H](NC(=O)COC[C@@H]2CCCO2)c2ncnn21
342596357	ZINC000616970815	ref	2.17	-21.0	0	292.335	1.101	2	4	5	COc1cc(C(=O)N[C@H]2CCNC2=O)ccc1OC(C)C
365637540	ZINC000617438771	ref	6.26	-18.51	0	296.367	0.943	0	4	6	CN(C[C@@H]1CCCCO1)C(=O)CCCN1C(=O)CCC1=O
365637552	ZINC000617438770	ref	5.91	-15.44	0	296.367	0.943	0	4	6	CN(C[C@H]1CCCCO1)C(=O)CCCN1C(=O)CCC1=O
342596358	ZINC000616970932	ref	3.17	-20.82	0	276.336	1.159	2	3	6	Cc1cccc(OCCCC(=O)N[C@@H]2CCNC2=O)c1
230731483	ZINC000425468998	ref	6.87	-15.29	0	308.353	2.122	2	3	5	COC(=O)C(C)(C)CNC(=O)N[C@H]1C[C@@]1(F)c1ccccc1
365637561	ZINC000617438505	ref	4.23	-10.6	0	254.33	0.54	1	3	5	CN(C[C@@H]1CCCCO1)C(=O)CNC(=O)C1CC1
365637564	ZINC000617437322	ref	3.93	-16.64	0	250.302	0.827	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)c2ncnn21
230731489	ZINC000425469468	ref	6.5	-13.67	0	301.394	2.358	2	4	3	N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCCC[C@H]2n2cccn2)C1
342596359	ZINC000616970895	ref	3.55	-17.04	0	298.795	1.825	2	3	4	C[C@@H](Sc1ccc(Cl)cc1)C(=O)N[C@H]1CCNC1=O
342596360	ZINC000624159084	ref	3.08	-8.9	0	292.383	1.843	2	5	6	CNc1cnc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cn1
365637574	ZINC000617436759	ref	4.49	-22.75	0	280.328	0.596	1	6	5	C[C@@H]1C[C@H](NC(=O)COC[C@H]2CCCO2)c2ncnn21
342596361	ZINC000616969832	ref	3.06	-20.33	0	284.315	1.467	2	3	3	COc1ccc(C(=O)N[C@H]2CCNC2=O)c2ccccc12
349535073	ZINC000258905410	mid	6.8	-39.58	1	246.398	2.822	2	1	5	CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@@H]2N)cc1
365637584	ZINC000617435736	ref	4.39	-17.57	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)n(C)n1
365637591	ZINC000617436232	ref	5.84	-46.28	1	251.334	0.742	2	4	5	CC[NH+](CC)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
343994037	ZINC000079917285	ref	5.02	-9.42	0	253.264	2.259	1	2	4	C[C@H](C[C@@H]1CCCO1)NC(=O)[C@@H](C)C(F)(F)F
365637530	ZINC000123406391	ref	2.9	-51.87	1	281.787	2.01	2	2	4	Cc1ccc(NC(=O)CN2CCC[C@H]2C[NH3+])c(Cl)c1
185089060	ZINC000096076149	ref	8.3	-16.45	0	295.346	1.367	0	5	2	O=C(c1ccccn1)N1CC[C@]2(CCN2c2ncccn2)C1
343994038	ZINC000079918699	ref	0.93	-10.54	0	261.325	2.021	1	5	7	CCc1nnc(CN(CCCO)c2ccccc2)o1
365637541	ZINC000123403174	ref	7.94	-14.79	0	263.366	2.246	0	4	4	CC(C)c1ccc([S@@](=O)Cc2nncn2C)cc1
214186857	ZINC000293597697	ref	6.78	-26.04	0	364.837	0.725	0	7	6	Cn1cnnc1COCC(=O)N1CCN(Cc2ccc(Cl)nc2)CC1
282122902	ZINC000116787941	high	5.92	-14.27	0	346.431	0.519	0	6	5	CN(C)C[C@@H]1CN(C(=O)CCn2c(=O)n(C)c3ccccc32)CCO1
365637555	ZINC000123360581	ref	8.23	-37.29	1	298.39	2.129	2	2	4	CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H]1CCC[N@@H+]1C
365637571	ZINC000123360581	mid	7.98	-38.18	1	298.39	2.129	2	2	4	CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H]1CCC[N@H+]1C
282122908	ZINC000116786102	ref	7.09	-38.98	1	345.443	1.367	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CCO1
282122914	ZINC000116786102	high	4.64	-10.94	0	345.443	1.367	1	4	5	CN(C)C[C@@H]1CN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)CCO1
199273080	ZINC000294962907	ref	5.77	-10.18	0	282.29	3.428	0	4	5	COc1ccc(Cc2noc([C@H](C)C(C)(F)F)n2)cc1
199273082	ZINC000294962954	ref	6.77	-7.93	0	285.391	3.406	1	4	4	Cc1nn(C)cc1[C@@H](C)Nc1ccc([C@@H]2CCOC2)cc1
342079508	ZINC000625305674	ref	3.77	-40.98	1	272.389	1.16	2	3	10	CCCCC[N@H+](CCOC1CCOCC1)CC(N)=O
214186862	ZINC000293595789	ref	1.63	-50.3	1	355.46	0.104	3	4	9	COC[C@@H]1CC[N@@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
199273085	ZINC000294962565	ref	8.85	-10.74	0	280.284	1.225	0	7	4	CCOC(=O)[C@H]1CCCN1c1ncc([N+](=O)[O-])c(C)n1
342079509	ZINC000625305674	mid	3.77	-41.23	1	272.389	1.16	2	3	10	CCCCC[N@@H+](CCOC1CCOCC1)CC(N)=O
342079510	ZINC000625305674	mid	2.06	-7.99	0	272.389	1.16	1	4	10	CCCCCN(CCOC1CCOCC1)CC(N)=O
342079511	ZINC000625306830	ref	4.12	-29.94	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)C[C@@H]1C[C@@H]1C
342079512	ZINC000625306830	mid	4.22	-29.92	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)C[C@@H]1C[C@@H]1C
342079513	ZINC000625306830	high	2.39	-10.77	0	283.416	1.125	2	3	10	CCCNC(=O)C[C@H](C(N)=O)N(CCC)C[C@@H]1C[C@@H]1C
178302946	ZINC000237204456	high	4.42	-14.79	0	369.465	1.777	3	4	10	COCCNCC(=O)NCc1cccc(C(=O)NCc2ccc(C)cc2)c1
342596362	ZINC000616970853	ref	3.66	-22.61	0	286.331	1.597	2	3	3	Cc1ccc2c(CC(=O)N[C@H]3CCNC3=O)coc2c1C
342596363	ZINC000616970852	ref	3.66	-21.84	0	286.331	1.597	2	3	3	Cc1ccc2c(CC(=O)N[C@@H]3CCNC3=O)coc2c1C
365637535	ZINC000623070550	mid	1.84	-11.29	0	319.361	1.052	2	5	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H]2OCCN[C@H]2C1
398245486	ZINC000649443645	ref	4.51	-10.31	0	239.225	2.392	0	4	3	Cc1c(-c2ccc(OC(F)F)cn2)cnn1C
178302947	ZINC000237210153	ref	5.23	-47.77	1	353.85	1.725	2	4	4	COc1cc(N)c(Cl)cc1C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1
178302948	ZINC000237210153	mid	3.15	-11.44	0	353.85	1.725	1	5	4	COc1cc(N)c(Cl)cc1C(=O)N1CCN(C[C@H]2CCOC2)CC1
136229265	ZINC000184900268	ref	5.97	-8.46	0	228.295	2.503	1	3	3	CC#CCCn1c([C@@H](C)O)nc2ccccc21
214186859	ZINC000278488928	low	8.72	-37.32	1	320.234	3.302	1	2	3	Cn1ncc(Br)c1C[N@@H+](C)[C@H]1CCc2ccccc21
214186861	ZINC000278488225	ref	4.65	-45.26	1	302.418	2.232	1	3	5	C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc2c(c1)COC2
398245489	ZINC000649440688	ref	6.85	-6.49	0	243.306	2.963	1	3	4	Cc1oncc1-c1ccc(C[C@@H](O)C2CC2)cc1
365637546	ZINC000623070901	ref	4.44	-47.1	1	303.362	1.484	2	3	2	CC(=O)c1cccc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1
222608431	ZINC000125786214	ref	6.08	-40.14	1	348.447	1.879	1	4	3	COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCOC(C)(C)C3)CC2)c1
178302949	ZINC000237222840	ref	6.86	-44.9	1	350.463	1.041	1	3	4	C[NH2+]C[C@@H]1CCCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)C1
398245492	ZINC000649443656	ref	5.93	-6.95	0	242.318	3.382	1	2	5	CCOCc1ccc(-c2ccc(CO)cc2)cc1
398245495	ZINC000649443728	ref	8.15	-44.88	1	241.334	2.972	1	1	1	O=C1CCCCc2ccc(C3=CC[NH2+]CC3)cc21
178302950	ZINC000237205720	ref	5.81	-43.93	1	371.485	1.552	2	4	4	Cc1nc2c(c(C)c1CCC(=O)N(C)C1C[C@@H]3CC[C@H](C1)[NH2+]3)c(=O)[nH]n2C
222608434	ZINC000125786214	mid	5.76	-11.53	0	348.447	1.879	1	5	3	COc1ccnc(N2CCN(C(=O)N[C@H]3CCOC(C)(C)C3)CC2)c1
214186863	ZINC000278487352	ref	3.62	-6.04	0	305.256	2.724	2	5	3	O=[N+]([O-])c1cnc(C(F)(F)F)cc1N[C@@H]1CC[C@@H](O)CC1
342596364	ZINC000616969933	ref	3.46	-18.2	0	292.335	1.967	2	3	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)sc2cccc(F)c12
398249479	ZINC000062361323	mid	1.58	-50.09	1	229.28	-0.318	3	3	5	C[N@@H+](CCC(=O)NC(N)=O)C[C@@H]1CCCO1
178302951	ZINC000237209558	ref	7.49	-49.17	1	357.454	1.934	1	3	5	CN(C(=O)COc1ccc(N2CCCC2=O)cc1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
214186865	ZINC000293595789	mid	1.66	-47.54	1	355.46	0.104	3	4	9	COC[C@@H]1CC[N@H+]1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
178302952	ZINC000237201209	ref	6.52	-57.16	1	359.47	1.942	1	3	4	COc1ccc(C)cc1N1C[C@H](C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1=O
214186869	ZINC000293595789	high	-1.42	-16.38	0	355.46	0.104	2	5	9	COC[C@@H]1CCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1
178302953	ZINC000237218277	ref	10.01	-55.1	-1	373.335	1.626	0	7	6	Cc1nc2nc(C(F)(F)F)nn2c(C)c1CCC(=O)N(C)CCC(=O)[O-]
178302954	ZINC000237214368	ref	3.28	-13.13	0	353.85	1.725	1	5	4	COc1cc(N)c(Cl)cc1C(=O)N1CC[C@@H](CN2CCOCC2)C1
214186873	ZINC000293593357	ref	6.41	-18.08	0	366.462	0.966	1	6	7	CC(=O)NCCN(C(=O)Cc1cnn(C)c1C)[C@H](C)C(=O)OC(C)(C)C
178302955	ZINC000237214368	mid	5.45	-45.68	1	353.85	1.725	2	4	4	COc1cc(N)c(Cl)cc1C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1
178302956	ZINC000237205144	ref	5.03	-48.82	1	359.401	1.93	3	3	9	COCC[NH2+]CC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
178302957	ZINC000237205144	high	3.69	-18.87	0	359.401	1.93	3	4	9	COCCNCC(=O)NCc1cccc(NC(=O)c2cccc(F)c2)c1
178302958	ZINC000237212596	ref	5.6	-46.61	1	359.47	1.092	2	3	6	COCCCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1
342079514	ZINC000625306831	ref	4.18	-30.17	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@H+](CCC)C[C@H]1C[C@@H]1C
214186883	ZINC000293600316	ref	2.31	-14.1	0	364.398	0.834	3	6	8	COCc1cc(NC(=O)[C@H](NC(=O)C2CC2)[C@H](C)O)cc(C(=O)OC)c1
214186887	ZINC000293593259	ref	-1.33	-22.64	0	357.794	0.58	4	5	6	CNC(=O)NCCC(=O)NC[C@H](O)c1cc(Cl)c2c(c1)OCCO2
214190455	ZINC000278495043	ref	7.04	-12.1	0	307.371	2.591	0	6	8	COC[C@@H](OC(=O)COCc1ccccc1)c1nccs1
290622703	ZINC000516884912	ref	1.67	-16.77	0	273.296	0.356	2	5	3	C[C@H]1CC[C@@H]1NC(=O)c1ccnc2c(C(N)=O)cnn12
178302959	ZINC000237212596	mid	4.27	-14.11	0	359.47	1.092	2	4	6	COCCCNC(=O)C1CCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1
178302960	ZINC000237220619	ref	6.55	-88.27	2	363.502	1.648	3	3	10	C[NH2+]C[C@@H](C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1
342079515	ZINC000625306831	mid	4.31	-30.29	1	283.416	1.125	3	2	10	CCCNC(=O)C[C@H](C(N)=O)[N@@H+](CCC)C[C@H]1C[C@@H]1C
342596365	ZINC000616969981	ref	3.91	-18.51	0	258.321	1.184	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc2c(c1)CCCC2
342596366	ZINC000616969939	ref	2.57	-15.54	0	276.267	1.499	2	3	2	Cc1c(C(=O)N[C@H]2CCNC2=O)oc2ccc(F)cc12
342596367	ZINC000616970814	ref	2.17	-20.98	0	292.335	1.101	2	4	5	COc1cc(C(=O)N[C@@H]2CCNC2=O)ccc1OC(C)C
342596368	ZINC000616970708	ref	4.11	-17.83	0	260.337	1.575	2	2	5	CCC[C@H](C(=O)N[C@@H]1CCNC1=O)c1ccccc1
342596369	ZINC000616970599	ref	3.13	-19.05	0	264.35	1.092	2	3	4	Cc1ccccc1SCC(=O)N[C@@H]1CCNC1=O
342596370	ZINC000616970146	ref	4.33	-8.43	0	282.296	1.73	2	6	6	COC(=O)c1cc(NC[C@H](C)CO)c(C)c([N+](=O)[O-])c1
342596371	ZINC000616970767	ref	2.87	-18.68	0	276.336	1.23	2	3	5	CC(C)OCc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
214186868	ZINC000278487170	ref	3.34	-58.56	1	312.391	1.332	3	5	7	O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)[NH2+]C[C@H]2CCSC2)cc1
214186872	ZINC000278486746	ref	5.07	-44.64	1	309.385	1.422	3	2	4	C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C)C1
342596372	ZINC000616970114	ref	1.38	-18.92	0	299.33	1.279	2	4	5	O=C(CCc1ncc(-c2ccccc2)o1)N[C@H]1CCNC1=O
197593906	ZINC000162815187	ref	6.46	-37.67	1	304.619	2.686	1	2	2	C[NH2+][C@H]1CCCN(c2ncc(Cl)cc2Br)C1
342596373	ZINC000616969953	ref	4.09	-16.75	0	276.336	1.34	2	3	5	C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N[C@@H]2CCNC2=O)o1
342596374	ZINC000616970725	ref	3.23	-19.28	0	264.35	1.092	2	3	4	Cc1ccc(SCC(=O)N[C@H]2CCNC2=O)cc1
342596375	ZINC000616970061	ref	2.56	-16.79	0	252.339	1.237	2	3	3	CCc1sc(C(=O)N[C@@H]2CCNC2=O)cc1C
282122904	ZINC000248975371	high	1.0	-9.16	0	312.435	1.14	1	4	5	C[C@@H]1CCN(Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CO
342600551	ZINC000194694651	ref	2.21	-10.7	0	260.297	1.569	2	4	2	C[C@@H]1COCC[C@H]1C(=O)Nc1ccc2n[nH]nc2c1
222608456	ZINC000283708379	ref	1.98	-14.92	0	312.329	1.329	1	5	4	C#CCN(C)C(=O)C(=O)Nc1cccc(-c2nnc(CC)o2)c1
342600552	ZINC000194694651	mid	2.21	-11.42	0	260.297	1.569	2	4	2	C[C@@H]1COCC[C@H]1C(=O)Nc1ccc2[nH]nnc2c1
342600553	ZINC000194694651	low	2.11	-12.46	0	260.297	1.569	2	4	2	C[C@@H]1COCC[C@H]1C(=O)Nc1ccc2nn[nH]c2c1
214186875	ZINC000278486746	mid	5.32	-45.69	1	309.385	1.422	3	2	4	C[C@@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C)C1
349535074	ZINC000594969829	ref	6.88	-43.94	1	283.412	2.913	1	1	4	Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1F
342600554	ZINC000590841064	ref	5.46	-15.86	0	276.315	1.58	1	3	3	Cc1ccc(CCNC(=O)N2CC[C@](F)(C#N)C2)nc1
342596376	ZINC000616971466	ref	2.43	-17.77	0	250.323	1.027	2	3	3	CSc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
230731490	ZINC000450416110	ref	6.01	-19.69	0	322.453	1.98	2	5	9	Cc1nc(C)n(CCCC(=O)NCC2([C@@H](C)CCO)CCC2)n1
342596377	ZINC000616971937	ref	3.19	-17.57	0	276.336	1.023	2	3	6	CCOc1ccccc1CCC(=O)N[C@H]1CCNC1=O
342596378	ZINC000616971861	ref	3.95	-21.12	0	276.336	1.193	2	3	5	CC(C)c1ccccc1OCC(=O)N[C@H]1CCNC1=O
365637539	ZINC000274365586	mid	5.82	-86.08	2	290.411	1.793	3	2	6	CCCNC(=O)C[NH+]1CCC(Nc2cc[nH+]c(C)c2)CC1
197593908	ZINC000290095595	ref	7.01	-13.99	0	291.395	3.286	2	3	8	CC(C)OCCCCNC(=O)Nc1cc(C2CC2)ccn1
197593911	ZINC000290097189	ref	5.87	-10.07	0	274.267	2.68	0	4	2	Cc1ncsc1Cn1cc(C(F)(F)F)ccc1=O
342596379	ZINC000616971609	ref	4.17	-16.69	0	288.347	1.217	2	3	6	CCc1ccc(C(=O)CCC(=O)N[C@H]2CCNC2=O)cc1
398245491	ZINC000650857010	ref	3.58	-9.39	0	298.358	1.884	2	3	7	COCc1cc(CNC(=O)N(C)[C@@H](C)CCO)ccc1F
214186871	ZINC000053525706	ref	7.42	-17.88	0	325.376	1.788	2	6	5	Cc1nn(C)c(C)c1CCC(=O)Nc1n[nH]c(-c2ccccn2)n1
230731494	ZINC000450413673	ref	3.17	-7.72	0	319.361	1.723	1	7	5	COCC1(O)CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
290622706	ZINC000492523623	ref	6.99	-18.81	0	299.378	2.108	1	5	5	CC[C@H](NC(=O)/C=C\c1ccncn1)c1c(C)nn(C)c1C
342596380	ZINC000616971083	ref	3.15	-17.78	0	276.336	1.34	2	3	5	CC(C)COc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
230731498	ZINC000450415367	ref	3.84	-27.04	0	316.405	1.804	3	4	7	CC(C)[C@H](O)C1(CNC(=O)CCc2nc3cc[nH]cc-3n2)CC1
230731500	ZINC000450411778	ref	4.55	-10.14	0	317.389	1.595	2	6	9	COC[C@@H](O)CCNc1nc(C)cc(OCc2ccccc2)n1
365637547	ZINC000274367498	ref	2.0	-12.12	0	266.345	1.641	3	4	5	CC(C)[C@H](O)C(C)(C)CNC(=O)Nc1cncnc1
365637558	ZINC000274365982	ref	6.16	-47.99	-1	281.356	1.989	1	5	5	Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)CCC(=O)[O-]
365637568	ZINC000274364946	ref	2.67	-12.3	0	261.285	1.554	1	6	5	CC(C)c1noc(CCC(=O)Nc2cncnc2)n1
342596381	ZINC000616971082	ref	3.15	-17.78	0	276.336	1.34	2	3	5	CC(C)COc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
342596382	ZINC000616971488	ref	4.59	-18.45	0	272.348	1.113	2	2	3	O=C(Cc1ccc2c(c1)CCCC2)N[C@H]1CCNC1=O
342596383	ZINC000616970997	ref	3.77	-17.77	0	290.363	1.73	2	3	6	CC(C)CCOc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
398249480	ZINC000390801112	high	1.68	-5.81	0	214.309	0.479	1	3	3	COC[C@H](C)C(=O)N1CCNCC1(C)C
222608429	ZINC000291776917	ref	6.07	-10.82	0	306.406	2.401	1	3	7	COCCOCc1ccc(CNC(=O)N2CC[C@H](C)C2)cc1
342596384	ZINC000616971059	ref	3.85	-16.38	0	252.358	1.742	2	2	5	O=C(CCCC1CCCCC1)N[C@H]1CCNC1=O
342596385	ZINC000616971420	ref	3.15	-18.47	0	263.341	1.304	2	3	3	Cc1cc(C(=O)N[C@@H]2CCNC2=O)c(C)n1C(C)C
295666368	ZINC000261888233	ref	7.38	-42.45	1	328.456	2.66	2	2	4	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)[C@H]1CC12CC[NH2+]CC2
342596386	ZINC000616972164	ref	3.24	-17.84	0	276.336	1.484	2	3	6	CCCCOc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
342596387	ZINC000616971811	ref	3.01	-21.25	0	284.768	1.437	2	3	4	O=C(CSc1ccccc1Cl)N[C@H]1CCNC1=O
214186876	ZINC000053525706	mid	7.41	-17.02	0	325.376	1.788	2	6	5	Cc1nn(C)c(C)c1CCC(=O)Nc1nc(-c2ccccn2)n[nH]1
342596388	ZINC000616971237	ref	3.8	-19.05	0	278.377	1.4	2	3	4	Cc1ccc(SCC(=O)N[C@H]2CCNC2=O)c(C)c1
178302961	ZINC000237220619	mid	6.55	-88.27	2	363.502	1.648	3	3	10	C[NH2+]C[C@@H](C)C(=O)NCc1cccc(OCC[N@@H+](C)C2CCOCC2)c1
342596389	ZINC000616971914	ref	2.64	-21.72	0	271.32	1.403	3	2	2	Cc1[nH]c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2c1C
342596390	ZINC000616971467	ref	2.43	-17.76	0	250.323	1.027	2	3	3	CSc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
342596391	ZINC000624159085	ref	3.23	-8.86	0	292.383	1.843	2	5	6	CNc1cnc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cn1
178302962	ZINC000237202097	ref	5.05	-50.31	1	359.401	1.93	3	3	9	COCC[NH2+]CC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
222608464	ZINC000291775317	ref	5.82	-10.86	0	319.142	2.115	1	2	4	CCNC(=O)COc1ccc(I)c(C)c1
342596392	ZINC000616972179	ref	4.15	-17.47	0	258.321	1.491	2	2	3	Cc1ccc(C2CC2)c(C(=O)N[C@H]2CCNC2=O)c1
342596393	ZINC000616971440	ref	3.08	-18.61	0	284.768	1.437	2	3	4	O=C(CSc1ccc(Cl)cc1)N[C@H]1CCNC1=O
222608471	ZINC000291776558	ref	8.51	-15.39	0	323.393	3.112	1	4	8	CC[C@@H](NC(=O)N(CC)C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1
342596394	ZINC000616972165	ref	3.24	-17.81	0	276.336	1.484	2	3	6	CCCCOc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
178302963	ZINC000237202097	high	3.7	-15.26	0	359.401	1.93	3	4	9	COCCNCC(=O)NCc1ccc(C(=O)Nc2ccc(F)cc2)cc1
342596395	ZINC000616971915	ref	2.64	-21.78	0	271.32	1.403	3	2	2	Cc1[nH]c2ccc(C(=O)N[C@H]3CCNC3=O)cc2c1C
342596396	ZINC000616971843	ref	4.08	-16.46	0	288.347	1.271	2	3	5	Cc1ccc(C)c(C(=O)CCC(=O)N[C@H]2CCNC2=O)c1
214186879	ZINC000278486746	mid	2.71	-7.63	0	309.385	1.422	2	3	4	C[C@@H](O)CN1CCN(C(=O)NCc2ccc(F)cc2)[C@H](C)C1
365637549	ZINC000623070901	mid	3.14	-10.74	0	303.362	1.484	2	4	2	CC(=O)c1cccc(NC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)c1
197593916	ZINC000162823641	ref	6.36	-11.18	0	322.43	2.181	1	4	2	CC(=O)c1c(C)[nH]c(C(=O)N2CCS[C@@H]3COCC[C@@H]32)c1C
178302964	ZINC000237214253	ref	4.01	-51.63	1	361.467	1.959	3	3	8	C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1NS(=O)(=O)c1ccccc1
214186881	ZINC000278487948	ref	7.71	-10.75	0	313.85	3.114	1	3	5	C[C@@H]1COCC[C@@H]1NC(=O)CSCc1cccc(Cl)c1
214186886	ZINC000278488923	ref	3.96	-8.29	0	324.226	2.253	0	5	3	Cn1cc([C@@H]2CCCN2Cc2c(Br)cnn2C)cn1
178302965	ZINC000237214253	mid	4.23	-68.49	0	361.467	1.959	2	3	8	C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1[N-]S(=O)(=O)c1ccccc1
178302966	ZINC000237215708	ref	7.4	-58.52	1	353.444	1.952	2	5	8	COc1ccc(CSCC(=O)NC[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-]
214186889	ZINC000278488923	low	6.16	-38.94	1	324.226	2.253	1	4	3	Cn1cc([C@@H]2CCC[N@@H+]2Cc2c(Br)cnn2C)cn1
214186892	ZINC000278488923	low	6.94	-39.12	1	324.226	2.253	1	4	3	Cn1cc([C@@H]2CCC[N@H+]2Cc2c(Br)cnn2C)cn1
214186895	ZINC000278487950	ref	7.71	-10.83	0	313.85	3.114	1	3	5	C[C@H]1COCC[C@H]1NC(=O)CSCc1cccc(Cl)c1
398245494	ZINC000650857874	ref	1.91	-10.49	0	267.329	1.774	1	4	4	CC[C@H]1CN(C(=O)NCc2cocn2)[C@@H](CC)CO1
214186897	ZINC000278487946	ref	7.29	-10.88	0	313.85	3.114	1	3	5	C[C@H]1COCC[C@@H]1NC(=O)CSCc1cccc(Cl)c1
214186899	ZINC000278488746	ref	6.05	-59.92	1	301.365	2.569	2	2	6	CCNC(=O)c1cccc(C[NH2+]Cc2ccc(F)nc2C)c1
214186901	ZINC000278488746	mid	4.65	-14.23	0	301.365	2.569	2	3	6	CCNC(=O)c1cccc(CNCc2ccc(F)nc2C)c1
214186903	ZINC000278487213	ref	5.68	-11.69	0	304.375	3.064	2	6	6	O=[N+]([O-])c1ccc2c(c1NCCCc1nccs1)CCN2
214186906	ZINC000278487648	ref	6.23	-48.7	1	319.401	2.123	2	4	5	C[C@H](O)C1CC[NH+](CCC(=O)c2ccc3c(c2)OCCO3)CC1
214186909	ZINC000278487648	high	3.86	-10.8	0	319.401	2.123	1	5	5	C[C@H](O)C1CCN(CCC(=O)c2ccc3c(c2)OCCO3)CC1
178302968	ZINC000237211776	ref	5.69	-49.37	1	355.232	1.779	2	3	5	COC(=O)C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1ccc(Br)cc1
214186911	ZINC000278488480	ref	7.72	-16.46	0	315.348	3.406	1	4	4	Cc1nc(F)ccc1CNc1cccc(N2CCOC2=O)c1C
398245496	ZINC000650857237	ref	2.34	-14.33	0	295.383	1.686	3	4	7	Cc1noc(C)c1CCNC(=O)NCCC1(CO)CCC1
365637554	ZINC000354710947	mid	6.58	-39.1	1	283.46	1.956	2	2	9	CC[NH+](CC)CCCCNC(=O)CN1CCC(C)CC1
178302969	ZINC000237209760	ref	7.58	-48.12	1	357.454	1.934	1	3	5	CN(C(=O)COc1cccc(N2CCCC2=O)c1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365637560	ZINC000354711250	ref	3.66	-14.01	0	288.351	1.575	1	5	6	CC(C)Oc1ccc(C(=O)NCCc2ccn(C)n2)cn1
178302970	ZINC000237210242	ref	5.66	-49.2	1	355.232	1.779	2	3	5	COC(=O)C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1
178302971	ZINC000237203479	ref	2.95	-43.82	1	369.462	1.236	2	3	6	CN(C(=O)CCNS(=O)(=O)c1ccc(F)cc1)C1C[C@@H]2CC[C@H](C1)[NH2+]2
365637570	ZINC000354709953	ref	4.59	-10.88	0	265.353	1.523	2	3	9	CCOCCCCNC(=O)[C@@H](O)Cc1ccccc1
365637583	ZINC000354710262	ref	3.96	-5.3	0	259.353	1.928	0	4	3	Cc1ncc(CN2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1
365637589	ZINC000354710262	low	6.58	-37.81	1	259.353	1.928	1	3	3	Cc1ncc(C[N@@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1
365637593	ZINC000354710262	low	6.95	-39.15	1	259.353	1.928	1	3	3	Cc1ncc(C[N@H+]2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1
365637602	ZINC000354710494	ref	5.08	-45.57	1	295.427	1.282	2	2	6	CC(C)C[C@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
299072251	ZINC000459274042	mid	9.35	-43.32	1	319.449	2.569	2	2	6	COc1ccccc1CN(C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1
299072255	ZINC000459273724	ref	6.96	-12.18	0	308.332	2.601	1	3	4	C[C@H](NC(=O)N(C)Cc1c(F)cccc1F)c1ccn(C)n1
178302972	ZINC000237213047	ref	5.87	-90.36	2	374.529	1.404	2	3	7	C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(OCCC[NH3+])CC3)cc2)CC1
178302973	ZINC000237213047	mid	5.74	-96.59	2	374.529	1.404	2	3	7	CN1CC[NH+](Cc2ccc(C(=O)N3CCC(OCCC[NH3+])CC3)cc2)CC1
365637612	ZINC000354710081	ref	4.43	-9.61	0	276.38	1.802	1	3	6	C[C@H]1CC[C@@H](CN(C)CC(=O)NCc2ccccc2)O1
365637621	ZINC000354710081	mid	6.79	-37.26	1	276.38	1.802	2	2	6	C[C@H]1CC[C@@H](C[N@H+](C)CC(=O)NCc2ccccc2)O1
365637628	ZINC000354710081	mid	6.77	-37.84	1	276.38	1.802	2	2	6	C[C@H]1CC[C@@H](C[N@@H+](C)CC(=O)NCc2ccccc2)O1
282122905	ZINC000165056547	ref	5.19	-49.54	-1	299.392	2.393	1	5	7	CCC(CC)(CNc1ccccc1S(C)(=O)=O)C(=O)[O-]
282122912	ZINC000424473671	ref	5.3	-49.21	-1	322.409	1.741	2	7	8	CCC(CC)(CNc1cc(N2CCC[C@@H]2CO)ncn1)C(=O)[O-]
259308355	ZINC000526042894	ref	5.71	-12.26	0	248.311	1.818	1	5	4	CCC[C@H](C#N)NC(=O)c1cn2ccnc2s1
365637638	ZINC000354711028	ref	1.32	-11.1	0	298.387	1.691	2	5	6	COc1nn(C)cc1NC(=O)N(CCCO)CC(C)(C)C
214186882	ZINC000053525706	high	7.34	-56.54	-1	325.376	1.788	1	6	5	Cc1nn(C)c(C)c1CCC(=O)Nc1nnc(-c2ccccn2)[n-]1
214186885	ZINC000053525706	high	7.25	-57.47	-1	325.376	1.788	1	6	5	Cc1nn(C)c(C)c1CCC(=O)Nc1nc(-c2ccccn2)n[n-]1
342596397	ZINC000616972209	ref	3.2	-20.44	0	282.727	1.032	2	3	4	Cc1cc(Cl)ccc1OCC(=O)N[C@@H]1CCNC1=O
398245498	ZINC000649440632	ref	6.46	-6.57	0	229.283	2.716	0	4	2	CC(C)(C)Oc1cccc(-c2cncnc2)n1
342596398	ZINC000616971494	ref	3.82	-20.31	0	296.754	1.42	2	3	4	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H]1CCNC1=O
342596399	ZINC000616971545	ref	4.37	-22.83	0	298.342	1.469	2	3	3	O=C(Cc1coc2cc3c(cc12)CCC3)N[C@H]1CCNC1=O
342596400	ZINC000616971142	ref	3.6	-20.35	0	298.346	1.107	2	4	3	Cc1cc(C)n(-c2ccc(C(=O)N[C@H]3CCNC3=O)cc2)n1
342596401	ZINC000616971236	ref	3.8	-19.05	0	278.377	1.4	2	3	4	Cc1ccc(SCC(=O)N[C@@H]2CCNC2=O)c(C)c1
342596402	ZINC000616971935	ref	3.13	-20.76	0	276.336	1.34	2	3	5	CC(C)COc1cccc(C(=O)N[C@H]2CCNC2=O)c1
342596403	ZINC000616971147	ref	2.78	-18.35	0	252.339	1.075	2	3	5	O=C(CCCc1cccs1)N[C@H]1CCNC1=O
342596404	ZINC000616971422	ref	3.15	-18.43	0	263.341	1.304	2	3	3	Cc1cc(C(=O)N[C@H]2CCNC2=O)c(C)n1C(C)C
342596405	ZINC000616971497	ref	3.82	-20.36	0	296.754	1.42	2	3	4	Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H]1CCNC1=O
214186890	ZINC000053525706	high	7.25	-57.44	-1	325.376	1.788	1	6	5	Cc1nn(C)c(C)c1CCC(=O)Nc1n[n-]c(-c2ccccn2)n1
214186893	ZINC000053544942	ref	4.05	-40.07	0	349.416	0.133	1	6	5	C[C@@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)Cn1cccn1
222608465	ZINC000125786956	ref	5.07	-18.73	0	325.315	1.474	2	3	5	CC[C@H](NC(=O)CN1CCC(=O)NC1=O)c1ccc(F)cc1F
342596406	ZINC000616972144	ref	4.23	-22.25	0	284.315	1.467	2	3	3	COc1cc2ccccc2cc1C(=O)N[C@@H]1CCNC1=O
222608472	ZINC000125780403	ref	2.63	-11.44	0	346.387	1.944	2	6	6	CCOc1ncccc1NC(=O)C(=O)NC[C@@H](C)c1c(C)noc1C
222608475	ZINC000125785452	ref	10.15	-17.19	0	341.407	3.014	1	4	9	CCO[C@@H](C(=O)NCCC(=O)OCc1ccccc1)c1ccccc1
214186900	ZINC000053550762	ref	6.45	-17.58	0	333.432	1.748	1	3	5	COc1ccccc1CCNC(=O)N1CCC(C(=O)N(C)C)CC1
342596407	ZINC000616972213	ref	3.17	-18.26	0	288.347	1.336	2	3	2	CC1(C)C[C@H](C(=O)N[C@@H]2CCNC2=O)c2ccccc2O1
398245501	ZINC000649440560	ref	7.12	-6.45	0	225.291	3.419	0	2	1	CC1(C)COc2ccc(-c3cccnc3)cc21
214186894	ZINC000337625775	ref	2.87	-20.79	0	297.355	0.556	2	5	7	CCN(CCOCCO)C(=O)Nc1cn(C)c(=O)cc1C
349535075	ZINC000258905410	high	5.95	-40.83	1	246.398	2.822	2	1	5	CC(C)c1ccc(CCN[C@H]2CCC[C@@H]2[NH3+])cc1
222608451	ZINC000222427665	ref	9.97	-18.5	0	382.504	3.626	1	3	9	CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1
222609440	ZINC000291778634	ref	3.77	-13.85	0	316.332	2.639	1	4	3	O=C(c1ocnc1C1CC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1
222609446	ZINC000291778564	ref	5.88	-19.87	0	316.287	2.044	1	6	3	CC(C)(C)n1cnc(C(=O)Nc2cnn(CC(F)(F)F)c2)n1
342079516	ZINC000625306831	high	2.35	-10.71	0	283.416	1.125	2	3	10	CCCNC(=O)C[C@H](C(N)=O)N(CCC)C[C@H]1C[C@@H]1C
214186896	ZINC000337625574	ref	4.97	-10.18	0	266.366	2.384	1	3	2	O=C(N[C@H]1CCOC1)N1CCC[C@H]1c1ccsc1
178302974	ZINC000237213047	mid	3.5	-51.65	1	374.529	1.404	1	4	7	CN1CCN(Cc2ccc(C(=O)N3CCC(OCCC[NH3+])CC3)cc2)CC1
214186898	ZINC000337627210	ref	7.66	-7.65	0	259.231	2.413	2	2	3	O=C(Nc1nc(C(F)(F)F)c[nH]1)[C@@H]1C[C@H]1C1CC1
178302975	ZINC000237204696	ref	6.45	-96.34	2	374.464	1.683	3	4	6	Cc1c(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)nnn1C1CC[NH2+]CC1
214186902	ZINC000337627210	mid	7.58	-6.64	0	259.231	2.413	2	2	3	O=C(Nc1ncc(C(F)(F)F)[nH]1)[C@@H]1C[C@H]1C1CC1
214186904	ZINC000337625855	ref	6.11	-7.79	0	278.318	3.207	2	1	3	O=C(NCC1CCC1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1
349535078	ZINC000258923982	ref	8.05	-44.83	1	206.333	2.85	1	1	5	N#CC1(C[NH2+]CCC2CCCCC2)CC1
398245499	ZINC000650856821	ref	4.45	-38.72	1	285.432	1.662	3	2	6	C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC(=O)N(C)[C@H](C)CCO
178302976	ZINC000237204696	mid	4.38	-51.74	1	374.464	1.683	2	5	6	Cc1c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)nnn1C1CC[NH2+]CC1
178302977	ZINC000237201508	ref	6.2	-85.31	2	361.486	1.544	3	3	8	C[N@H+](CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1)C1CCOCC1
214186907	ZINC000337626692	ref	-0.45	-15.17	0	284.36	-0.761	2	4	4	CCNC(=O)CN1CCN(C(=O)N[C@H]2CCOC2)CC1
342079517	ZINC000046600862	ref	2.49	-10.2	0	252.314	1.007	1	4	8	COCCN(CC(=O)NC1CC1)Cc1ccco1
342079518	ZINC000046600862	low	4.59	-37.93	1	252.314	1.007	2	3	8	COCC[N@H+](CC(=O)NC1CC1)Cc1ccco1
342079519	ZINC000046600862	low	4.61	-38.35	1	252.314	1.007	2	3	8	COCC[N@@H+](CC(=O)NC1CC1)Cc1ccco1
342079520	ZINC000530884949	ref	7.39	-13.36	0	264.369	1.956	0	2	5	C=CCCCC(=O)N1CCC[C@H](N2CCCC2=O)C1
365637556	ZINC000623070169	ref	4.93	-47.32	1	307.369	1.141	2	2	3	O=C(NCCc1ccc(F)cc1)N1CC[C@H]2OCC[NH2+][C@H]2C1
185089070	ZINC000096078554	ref	2.59	-11.11	0	295.335	1.316	0	5	4	CCOC[C@@H]1C[C@]2(COCCN2C(=O)c2ccoc2)CO1
365637562	ZINC000623070169	mid	3.65	-11.9	0	307.369	1.141	2	3	3	O=C(NCCc1ccc(F)cc1)N1CC[C@H]2OCCN[C@H]2C1
365637567	ZINC000623070620	ref	5.97	-49.87	1	306.41	1.453	1	4	8	CCn1cc(C(=O)C(=O)N(CCC[NH3+])CC2CCCC2)cn1
365637575	ZINC000623070456	ref	4.95	-15.55	0	312.382	1.304	0	3	6	CCCN(CC(F)F)C(=O)[C@@H]1CCCCN1S(C)(=O)=O
342596408	ZINC000616971842	ref	4.08	-16.54	0	288.347	1.271	2	3	5	Cc1ccc(C)c(C(=O)CCC(=O)N[C@@H]2CCNC2=O)c1
342596409	ZINC000616971143	ref	3.6	-20.0	0	298.346	1.107	2	4	3	Cc1cc(C)n(-c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)n1
365637587	ZINC000623070096	ref	4.91	-65.38	1	317.368	1.343	3	2	4	O=C(N=c1ccn([C@H]2CC[NH2+]C2)[nH]1)NCCc1ccc(F)cc1
230731518	ZINC000450414818	ref	7.06	-10.29	0	302.284	1.939	1	5	2	N#Cc1ccnc(N2C[C@@H](O)C[C@H]2c2ccc(F)c(F)c2)n1
365637599	ZINC000623070193	ref	3.58	-56.82	1	320.422	1.976	2	5	3	Cc1ccc(NC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)s1
342596410	ZINC000308373546	ref	3.73	-7.0	0	260.341	1.509	1	5	4	CCc1nc(C#N)cc(N2CCC[C@@H](CCO)C2)n1
365637605	ZINC000623070193	high	3.18	-15.45	0	320.422	1.976	2	6	3	Cc1ccc(NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)s1
342596411	ZINC000616971508	ref	4.77	-19.26	0	298.342	1.884	2	3	5	O=C(CCc1ccc(-c2ccccc2)o1)N[C@H]1CCNC1=O
197593929	ZINC000290094532	ref	3.84	-43.58	1	266.345	0.856	2	4	6	CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccn(CCOC)n1
365637613	ZINC000623069673	ref	6.38	-53.9	1	314.389	1.116	1	4	8	CCn1cc(C(=O)C(=O)N(CC[NH3+])CCc2ccccc2)cn1
365637619	ZINC000623069673	high	5.98	-9.66	0	314.389	1.116	1	5	8	CCn1cc(C(=O)C(=O)N(CCN)CCc2ccccc2)cn1
185089072	ZINC000096076201	ref	7.31	-34.25	1	291.395	1.21	1	3	1	Cn1cccc1C(=O)N1CCC[C@@]2(COCC[N@H+](C)C2)C1
185089074	ZINC000096076201	mid	7.25	-39.81	1	291.395	1.21	1	3	1	Cn1cccc1C(=O)N1CCC[C@@]2(COCC[N@@H+](C)C2)C1
365637626	ZINC000623070187	ref	2.18	-49.24	1	308.382	1.066	1	5	4	COCc1nc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)no1
230731531	ZINC000450411755	ref	7.58	-12.55	0	319.372	1.547	1	6	3	N#Cc1ccnc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)n1
342596412	ZINC000616972133	ref	4.2	-20.38	0	268.316	1.767	2	2	2	Cc1ccc(C(=O)N[C@@H]2CCNC2=O)c2ccccc12
342596413	ZINC000616972175	ref	2.04	-19.1	0	283.125	1.067	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccccc1Br
214186905	ZINC000053518372	ref	4.84	-14.4	0	334.464	1.483	2	3	6	O=C(CN1CCN(C(=O)NCCC2=CCCCC2)CC1)NC1CC1
342596414	ZINC000616971585	ref	4.47	-19.75	0	290.388	1.272	2	3	4	O=C(CSc1ccc2c(c1)CCC2)N[C@H]1CCNC1=O
214186908	ZINC000053547439	ref	9.18	-19.2	0	339.439	3.784	1	4	5	O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2cn3c(n2)CCCC3)c1
342596415	ZINC000616971892	ref	2.42	-19.87	0	250.323	1.027	2	3	3	CSc1ccccc1C(=O)N[C@@H]1CCNC1=O
342596416	ZINC000616971584	ref	4.46	-19.76	0	290.388	1.272	2	3	4	O=C(CSc1ccc2c(c1)CCC2)N[C@@H]1CCNC1=O
342596417	ZINC000616971335	ref	3.31	-16.32	0	294.376	1.333	2	4	5	Cc1cc(C(=O)CCC(=O)N[C@H]2CCNC2=O)c(C)s1
342596418	ZINC000616971936	ref	3.19	-18.6	0	276.336	1.023	2	3	6	CCOc1ccccc1CCC(=O)N[C@@H]1CCNC1=O
349535076	ZINC000594969829	high	6.08	-13.96	0	283.412	2.913	1	2	4	Cc1cccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c1F
214186915	ZINC000053547439	low	9.59	-35.42	1	339.439	3.784	1	3	5	O=C(CC[C@@H]1CCCO1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1
214186918	ZINC000053548972	ref	6.52	-12.17	0	339.424	2.218	2	6	5	N#Cc1cnc(SCC(=O)NC2(c3ccccc3)CCC2)nc1N
214186921	ZINC000053528144	ref	6.02	-10.29	0	349.45	2.641	1	3	4	C[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1
214186928	ZINC000053525195	ref	7.48	-19.59	0	345.309	3.299	2	5	6	O=C(Cc1ccc(OC(F)F)cc1)Nc1n[nH]c(-c2ccccn2)n1
214186931	ZINC000053525195	mid	7.48	-18.33	0	345.309	3.299	2	5	6	O=C(Cc1ccc(OC(F)F)cc1)Nc1nc(-c2ccccn2)n[nH]1
342596419	ZINC000616971605	ref	4.17	-16.66	0	288.347	1.217	2	3	6	CCc1ccc(C(=O)CCC(=O)N[C@@H]2CCNC2=O)cc1
197593937	ZINC000162824035	ref	9.14	-51.61	-1	306.391	2.216	0	7	7	CC(C)n1c(CCc2ccccn2)nnc1SCC(=O)[O-]
214186936	ZINC000053525195	high	7.41	-58.1	-1	345.309	3.299	1	5	6	O=C(Cc1ccc(OC(F)F)cc1)Nc1nnc(-c2ccccn2)[n-]1
214186939	ZINC000053525195	high	7.32	-59.1	-1	345.309	3.299	1	5	6	O=C(Cc1ccc(OC(F)F)cc1)Nc1nc(-c2ccccn2)n[n-]1
342596420	ZINC000616971053	ref	3.08	-20.85	0	282.727	1.032	2	3	4	Cc1cc(OCC(=O)N[C@H]2CCNC2=O)ccc1Cl
349535080	ZINC000594968667	ref	6.51	-42.76	1	252.358	2.716	2	2	6	CCC(C)(C)[C@@H](C)[NH2+]Cc1c[nH]c(C(=O)OC)c1
178305326	ZINC000000616907	low	9.46	-30.66	1	202.301	3.309	0	1	2	Cc1cc2[nH+]cn(CC(C)C)c2cc1C
342596421	ZINC000616971052	ref	3.08	-20.84	0	282.727	1.032	2	3	4	Cc1cc(OCC(=O)N[C@@H]2CCNC2=O)ccc1Cl
342596422	ZINC000616971495	ref	3.78	-20.38	0	296.754	1.42	2	3	4	Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@H]1CCNC1=O
214186910	ZINC000337624370	ref	1.86	-25.81	0	284.275	2.314	2	5	3	CC(=O)c1c[nH]c(C(=O)Nc2cnc3onc(C)c3c2)c1
214186912	ZINC000337625075	ref	1.82	-9.52	0	289.426	2.171	2	5	4	CC[C@H]1CCCC[C@H]1Nc1ncc(S(N)(=O)=O)s1
214186914	ZINC000337627541	ref	0.04	-18.29	0	271.317	-0.611	2	6	7	C[C@@H](O)CN(C(=O)COc1cnn(C)c1)[C@H](C)CO
214186917	ZINC000337624355	ref	3.41	-12.45	0	251.29	0.068	1	6	7	CC(=O)CCC(=O)NCc1nnnn1CC1CC1
178302978	ZINC000237201508	mid	6.41	-85.78	2	361.486	1.544	3	3	8	C[N@@H+](CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1)C1CCOCC1
214186919	ZINC000337626460	ref	6.22	-41.24	1	273.38	2.069	3	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CCCc2ccccc21
342596423	ZINC000616972158	ref	2.54	-17.44	0	270.691	1.026	2	2	3	O=C(Cc1c(F)cccc1Cl)N[C@H]1CCNC1=O
214186920	ZINC000337626460	mid	3.03	-10.41	0	273.38	2.069	2	2	4	O=C(NCCN1CCC1)N[C@@H]1CCCc2ccccc21
342596424	ZINC000616971496	ref	3.78	-20.22	0	296.754	1.42	2	3	4	Cc1cc(Cl)ccc1O[C@H](C)C(=O)N[C@@H]1CCNC1=O
342596425	ZINC000616971223	ref	2.78	-19.74	0	294.376	1.182	2	4	6	CCOc1ccc(SCC(=O)N[C@H]2CCNC2=O)cc1
214186922	ZINC000337625615	ref	4.62	-34.16	1	286.416	0.964	2	3	8	CC(C)[C@@H](C(=O)N(C)CCOCCO)[NH+]1CCCCC1
178305429	ZINC000044183875	low	6.68	-29.71	1	218.3	2.424	1	2	3	Cc1cc2[nH+]cn(CC[C@@H](C)O)c2cc1C
342596426	ZINC000616971546	ref	4.36	-21.83	0	298.342	1.469	2	3	3	O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H]1CCNC1=O
222608482	ZINC000283703774	ref	3.81	-12.66	0	316.361	1.167	3	3	4	C#CCN(C)C(=O)C(=O)Nc1cc(NC(=O)NCC)ccc1C
342596427	ZINC000616970996	ref	3.76	-17.7	0	290.363	1.73	2	3	6	CC(C)CCOc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
214186923	ZINC000337625615	high	2.47	-7.82	0	286.416	0.964	1	4	8	CC(C)[C@@H](C(=O)N(C)CCOCCO)N1CCCCC1
398245502	ZINC000650856821	mid	4.12	-39.99	1	285.432	1.662	3	2	6	C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)N(C)[C@H](C)CCO
349535077	ZINC000093280815	ref	3.86	-33.11	1	273.373	0.906	2	4	7	COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCOCCO)C1
214186927	ZINC000337625372	ref	2.16	-13.84	0	280.328	0.292	1	5	2	Cn1cc([C@H]2CN(C(=O)N[C@H]3CCOC3)CCO2)cn1
342596428	ZINC000616972124	ref	3.67	-18.82	0	290.363	1.872	2	3	6	CCC(CC)Oc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
365637557	ZINC000336555012	low	8.37	-99.75	2	265.426	2.368	2	2	2	Cc1csc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)n1
178302979	ZINC000237209316	ref	5.38	-49.72	1	360.863	1.747	1	4	5	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)C1
178302980	ZINC000237217020	ref	5.59	-46.75	1	371.478	1.437	1	3	8	C[NH2+]C[C@H]1CCCN1C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
365637565	ZINC000336555051	ref	7.97	-44.6	1	278.396	2.157	1	3	3	Cc1ccc(C)n1C1CC[NH+](C[C@@H]2COCCO2)CC1
230731528	ZINC000425466894	ref	5.19	-17.26	0	311.426	2.039	2	3	8	CCCC[C@@H](CCC)CNC(=O)N[C@@H]1CCC(=O)N(C)C1=O
178302981	ZINC000237219056	ref	4.23	-50.4	1	353.488	1.333	2	3	7	C[NH2+]C[C@@H](C)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
365637573	ZINC000336555051	high	5.6	-5.2	0	278.396	2.157	0	4	3	Cc1ccc(C)n1C1CCN(C[C@@H]2COCCO2)CC1
178302982	ZINC000237212244	ref	4.74	-50.48	1	361.486	1.714	2	3	8	COCCCNC(=O)C1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1
365637581	ZINC000336555079	ref	5.64	-39.31	1	265.426	2.368	1	3	2	Cc1ncc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1
178302983	ZINC000237212244	high	4.39	-12.55	0	361.486	1.714	2	4	8	COCCCNC(=O)C1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1
365637590	ZINC000336555079	mid	6.09	-38.62	1	265.426	2.368	1	3	2	Cc1ncc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1
365637595	ZINC000336555079	mid	7.8	-101.65	2	265.426	2.368	2	2	2	Cc1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1
365637604	ZINC000336555079	mid	8.25	-101.27	2	265.426	2.368	2	2	2	Cc1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1
214186913	ZINC000278487204	ref	7.17	-20.09	0	320.389	2.434	1	4	5	CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cc(C)[nH]c(=O)c1
365637608	ZINC000336555079	mid	8.25	-101.27	2	265.426	2.368	2	2	2	Cc1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1
349535079	ZINC000621242786	ref	6.45	-58.43	-1	297.314	2.27	0	6	2	Cn1cc(-c2nc3n(c2C(=O)[O-])CCOC3)c2ccccc21
290622707	ZINC000492523402	ref	4.54	-12.05	0	290.363	2.036	1	4	9	COc1cncc(/C=C\C(=O)NCCCOCC2CC2)c1
178302984	ZINC000237207859	ref	8.27	-60.52	-1	357.41	1.971	1	6	7	COC[C@@](C)(CC(=O)[O-])NC(=O)c1nn(-c2ccccc2)c2c1CCC2
178302985	ZINC000237213966	ref	4.07	-14.43	0	350.806	1.878	1	6	3	COc1cc(N)c(Cl)cc1C(=O)N1CCO[C@H](c2cnn(C)c2)C1
178305432	ZINC000043514779	ref	6.41	-15.99	0	233.34	2.5	1	3	2	Cc1cc2ncn([C@@H](C)C(N)=S)c2cc1C
365637615	ZINC000336555079	mid	7.72	-101.08	2	265.426	2.368	2	2	2	Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1
365637559	ZINC000625079774	ref	10.27	-47.26	1	316.445	2.188	1	2	7	CCO[C@H](C[NH+]1CCN(C(=O)Cc2ccccc2)CC1)C1CC1
342596429	ZINC000616971893	ref	2.42	-19.86	0	250.323	1.027	2	3	3	CSc1ccccc1C(=O)N[C@H]1CCNC1=O
342596430	ZINC000616972159	ref	2.53	-18.12	0	270.691	1.026	2	2	3	O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCNC1=O
342596431	ZINC000616971805	ref	3.15	-17.66	0	276.336	1.077	2	3	5	Cc1ccc(C)c(OCCC(=O)N[C@H]2CCNC2=O)c1
214186916	ZINC000278486853	ref	3.66	-10.19	0	323.403	3.288	1	9	6	Cc1nc([C@@H](C)Sc2nnc(NCc3ccco3)s2)no1
214186924	ZINC000278487870	ref	5.34	-11.62	0	322.38	2.406	0	4	3	C[C@@H]1OCCC[C@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
222608488	ZINC000125786471	ref	3.33	-11.64	0	338.448	2.56	3	4	10	CC[C@@](C)(CCO)NC(=O)NC[C@H](C)COc1ccccc1OC
342596432	ZINC000308373545	ref	3.72	-6.99	0	260.341	1.509	1	5	4	CCc1nc(C#N)cc(N2CCC[C@H](CCO)C2)n1
342596433	ZINC000616972190	ref	4.03	-17.14	0	278.377	1.482	2	3	5	Cc1ccc(SCCC(=O)N[C@@H]2CCNC2=O)cc1
214186926	ZINC000278487224	ref	6.67	-8.94	0	300.171	3.427	1	1	3	Cc1ccc(F)c(C(=O)NCC2CCC2)c1Br
342596434	ZINC000616971300	ref	3.28	-19.74	0	283.331	1.172	2	3	4	O=C(CCc1ccc2ccccc2n1)N[C@H]1CCNC1=O
342596435	ZINC000616971334	ref	3.31	-16.33	0	294.376	1.333	2	4	5	Cc1cc(C(=O)CCC(=O)N[C@@H]2CCNC2=O)c(C)s1
342596436	ZINC000616971216	ref	4.42	-21.32	0	290.363	1.502	2	3	5	Cc1cc(OCC(=O)N[C@H]2CCNC2=O)ccc1C(C)C
342596437	ZINC000616972212	ref	3.15	-18.93	0	288.347	1.336	2	3	2	CC1(C)C[C@@H](C(=O)N[C@H]2CCNC2=O)c2ccccc2O1
222608516	ZINC000125780015	ref	4.48	-16.78	0	349.456	1.903	1	4	2	C[C@H]1CCC[C@@H](C)N1C(=O)[C@@H](C)NC1=NS(=O)(=O)c2ccccc21
342596438	ZINC000616972145	ref	4.23	-22.25	0	284.315	1.467	2	3	3	COc1cc2ccccc2cc1C(=O)N[C@H]1CCNC1=O
214186929	ZINC000278487913	ref	5.42	-20.63	0	310.394	1.116	1	4	7	C=CC(=O)NCCC(=O)N1CC[C@](C(=O)OCC)(C(C)C)C1
214186930	ZINC000278488360	ref	9.95	-18.58	0	300.322	2.416	2	6	6	C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cn1ccnc1
214190457	ZINC000337634865	ref	2.33	-48.88	1	264.329	0.562	3	3	3	Cc1cc(C(=O)NCC2CC[NH+](C)CC2)[nH]c(=O)n1
342596439	ZINC000616971860	ref	3.95	-21.12	0	276.336	1.193	2	3	5	CC(C)c1ccccc1OCC(=O)N[C@@H]1CCNC1=O
342596440	ZINC000616972125	ref	3.67	-18.67	0	290.363	1.872	2	3	6	CCC(CC)Oc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
214186932	ZINC000337625302	ref	0.45	-41.42	1	259.35	-0.223	4	3	5	C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CCOCC1
214186934	ZINC000337625302	high	-1.52	-7.84	0	259.35	-0.223	3	4	5	CN(C)C[C@@](C)(O)CNC(=O)NC1CCOCC1
342596441	ZINC000616971891	ref	2.29	-18.75	0	262.309	1.092	2	3	4	CC(C)Oc1ccc(C(=O)N[C@H]2CCNC2=O)cc1
282122907	ZINC000248976855	ref	5.68	-22.09	0	322.792	1.94	2	3	5	NC(=O)[C@@H]1CC[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)O1
342596442	ZINC000616972150	ref	1.27	-20.57	0	286.69	1.106	2	3	3	COc1cc(Cl)c(F)c(C(=O)N[C@@H]2CCNC2=O)c1
282122911	ZINC000248976868	ref	6.22	-8.88	0	312.479	1.984	1	3	2	C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCS1
214186940	ZINC000337625969	ref	4.65	-44.24	1	299.415	0.511	3	3	9	CCN(CCOCCO)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1
214186943	ZINC000337625969	mid	4.58	-43.8	1	299.415	0.511	3	3	9	CCN(CCOCCO)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1
214186945	ZINC000337626742	ref	-2.87	-9.42	0	287.36	-0.842	3	5	5	C[C@](O)(CNC(=O)N[C@@H]1CCOC1)CN1CCOCC1
214186947	ZINC000337626742	mid	-0.85	-43.84	1	287.36	-0.842	4	4	5	C[C@](O)(CNC(=O)N[C@@H]1CCOC1)C[NH+]1CCOCC1
282122913	ZINC000248976868	mid	8.26	-42.24	1	312.479	1.984	1	3	2	C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCS1
342596443	ZINC000616971916	ref	4.35	-20.06	0	268.316	1.387	2	2	3	O=C(Cc1ccc2ccccc2c1)N[C@H]1CCNC1=O
282122916	ZINC000248976868	mid	6.22	-8.88	0	312.479	1.984	0	4	2	C[C@@H]1CCN(CC(=O)N2CCO[C@H]3CCCC[C@H]32)CCS1
306234690	ZINC000557927166	ref	5.99	-18.53	0	341.415	1.853	2	4	4	C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1=O)c1nccn1-c1ccccc1
342596444	ZINC000616971303	ref	3.27	-18.25	0	283.331	1.172	2	3	4	O=C(CCc1ccc2ccccc2n1)N[C@@H]1CCNC1=O
214186957	ZINC000337625374	ref	2.16	-13.99	0	280.328	0.292	1	5	2	Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCOC3)CCO2)cn1
230731535	ZINC000450415641	ref	8.02	-16.71	0	315.333	1.965	0	7	5	Cn1cc(C(=O)C[C@@H]2CCCN2c2ccc([N+](=O)[O-])nc2)cn1
214186960	ZINC000337625015	ref	9.49	-9.76	0	294.354	3.296	1	3	4	CC[C@@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
214186962	ZINC000337625643	ref	0.82	-14.11	0	288.344	-0.907	1	5	8	CN(CCOCCO)C(=O)CCC(=O)N1CCOCC1
214186967	ZINC000337627915	ref	1.97	-16.01	0	262.375	0.861	1	3	4	CC(C)CCNC(=O)N1CC[C@H](S(C)(=O)=O)C1
214186968	ZINC000337626987	ref	3.27	-9.9	0	277.271	2.417	2	5	4	O[C@@H](CCNc1ncnc2sccc12)C(F)(F)F
214186971	ZINC000337627140	ref	3.62	-13.99	0	296.29	0.613	1	7	3	Cn1nc(C(=O)Nc2cnccc2-n2cccn2)ccc1=O
230731537	ZINC000450411731	ref	6.67	-13.23	0	305.374	1.947	1	4	6	COC(=O)c1ccc(CC(=O)NC[C@@H]2CCC[C@H]2OC)cc1
365637566	ZINC000625079774	mid	7.8	-8.17	0	316.445	2.188	0	3	7	CCO[C@H](CN1CCN(C(=O)Cc2ccccc2)CC1)C1CC1
365637577	ZINC000625081125	ref	3.19	-9.13	0	321.483	2.315	1	4	9	CCC(CC)[C@H](CCNS(=O)(=O)[C@H]1COC(C)(C)C1)OC
365637582	ZINC000625080619	ref	6.62	-95.24	2	324.509	2.24	4	2	6	O[C@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)CC1(O)CCC1
365637588	ZINC000625080619	high	4.33	-34.34	1	324.509	2.24	3	3	6	O[C@H](CN1CCC(C[NH+]2CCCCCC2)CC1)CC1(O)CCC1
365637597	ZINC000625081734	ref	7.39	-11.33	0	308.426	2.053	0	6	6	CC(C)c1nnc(N(C)CC2(C)COC2)n1C[C@H]1CCCO1
365637606	ZINC000625082584	ref	3.58	-10.29	0	319.373	2.197	1	3	4	Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@H](C)O)c(F)c1F
178302986	ZINC000237217889	ref	4.49	-51.44	1	354.472	1.459	1	4	8	C[NH2+]C[C@H]1CCCN1C(=O)CCCOc1ccc(S(C)(=O)=O)cc1
365637614	ZINC000625081846	ref	4.6	-8.89	0	313.41	2.402	1	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](COC)C1CC1
365637620	ZINC000625083024	ref	7.6	-11.05	0	320.437	2.34	0	6	5	CC[C@@H](C)c1nnc(N2CC3(CCCO3)C2)n1C[C@H]1CCCO1
365637629	ZINC000625080432	ref	6.46	-38.4	1	320.405	2.234	1	2	6	Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C(C)C)c(F)c1F
178302987	ZINC000237206203	ref	8.44	-101.95	2	372.473	1.722	2	5	8	Cn1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1
178302988	ZINC000237206203	mid	6.08	-54.99	1	372.473	1.722	1	6	8	CN1CCN(CCC[NH2+]Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)CC1
365637633	ZINC000625080432	mid	4.0	-10.32	0	320.405	2.234	0	3	6	Cc1ccc(S(=O)(=O)N(CCN(C)C)C(C)C)c(F)c1F
365637641	ZINC000625081669	ref	8.0	-38.72	1	318.461	2.485	2	2	6	CC[N@H+](CC(=O)N(C)C)CC1(O)CCC(c2ccccc2)CC1
230731562	ZINC000450415301	ref	2.28	-17.34	0	324.377	1.104	2	5	10	CCCOc1ccc(C(=O)N[C@H](CCOC)C(N)=O)c(OC)c1
199273081	ZINC000181260971	low	10.18	-45.56	1	316.449	3.399	1	4	8	CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1nnc(C)n1C
214186933	ZINC000278488360	low	10.46	-48.75	1	300.322	2.416	2	5	6	C[C@@H](CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)Cn1cc[nH+]c1
365637649	ZINC000625081669	mid	5.97	-8.32	0	318.461	2.485	2	2	6	CC[N@@H+](CC(=O)N(C)C)CC1(O)CCC(c2ccccc2)CC1
365637654	ZINC000625081669	high	5.97	-8.32	0	318.461	2.485	1	3	6	CCN(CC(=O)N(C)C)CC1(O)CCC(c2ccccc2)CC1
178302989	ZINC000237206062	ref	3.89	-63.36	1	357.432	1.789	2	5	7	COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1
178302990	ZINC000237201813	ref	5.66	-47.34	1	367.515	1.787	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)C1
342596445	ZINC000616972151	ref	1.27	-20.59	0	286.69	1.106	2	3	3	COc1cc(Cl)c(F)c(C(=O)N[C@H]2CCNC2=O)c1
342596446	ZINC000616972215	ref	3.16	-18.39	0	288.347	1.336	2	3	2	CC1(C)C[C@@H](C(=O)N[C@@H]2CCNC2=O)c2ccccc2O1
214186937	ZINC000278487872	ref	6.41	-14.52	0	322.38	2.406	0	4	3	C[C@@H]1OCCC[C@@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
178302991	ZINC000237203111	ref	5.66	-49.4	1	367.515	1.787	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)N(C)C(C)C)c2)C1
178302992	ZINC000237206424	ref	5.33	-49.5	1	372.288	1.941	1	3	4	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cc(Br)cc(C#N)c2)C1
190493866	ZINC000269435754	ref	8.03	-46.57	1	288.395	2.127	2	3	6	C=CCCC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1
178305328	ZINC000237282685	ref	3.85	-51.14	1	356.422	1.822	2	4	5	COc1ccc(OC)c2c1CN(C(=O)[C@H](C[NH3+])c1ccccc1)C[C@@H]2O
178305331	ZINC000237282685	high	3.47	-10.26	0	356.422	1.822	2	5	5	COc1ccc(OC)c2c1CN(C(=O)[C@H](CN)c1ccccc1)C[C@@H]2O
178305333	ZINC000237269683	ref	5.92	-58.05	1	365.499	1.604	1	3	4	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)C1
178305338	ZINC000237277060	ref	1.66	-41.67	1	350.444	1.718	1	6	5	COCc1nc(OC)c2c(C)c(C(=O)N3CCC[C@H]3C[NH3+])sc2n1
178305342	ZINC000237274513	ref	4.29	-47.77	1	359.264	1.742	2	3	10	COCC[NH2+]CCNC(=O)CCc1ccc(OC)c(Br)c1
187169738	ZINC000125101828	ref	5.27	-10.76	0	294.395	1.836	1	3	4	CCCNC(=O)[C@@H]1CCCN(C(=O)C2=C(C)OCCC2)C1
190493867	ZINC000269433287	ref	5.0	-10.65	0	275.377	2.22	1	4	7	O=C(CCc1nccs1)NCCCc1ccccn1
349535081	ZINC000093280815	mid	4.34	-32.68	1	273.373	0.906	2	4	7	COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCOCCO)C1
349535083	ZINC000093280815	high	2.05	-8.97	0	273.373	0.906	1	5	7	COC(=O)C(C)(C)[C@H]1CCCN(CCOCCO)C1
178305345	ZINC000237274513	high	2.95	-10.68	0	359.264	1.742	2	4	10	COCCNCCNC(=O)CCc1ccc(OC)c(Br)c1
178305348	ZINC000237272787	ref	4.8	-49.62	1	360.227	1.386	2	2	7	C[NH2+]CCN(C)C(=O)CCNC(=O)c1cc(F)ccc1Br
178305352	ZINC000237277757	ref	2.19	-48.92	1	364.471	1.884	2	6	6	COCc1nc(OC)c2c(C)c(C(=O)NC[C@@H]3CCC[NH2+]C3)sc2n1
349535087	ZINC000093261068	ref	4.36	-10.23	0	282.344	0.47	1	5	5	CCOCCN(C)C(=O)C(=O)Nc1c(C)c(C)nn1C
282122909	ZINC000151676145	ref	5.24	-14.27	0	306.362	2.069	2	4	5	Cc1ccc2c(c1)[C@H](NC(=O)NCCC(=O)OC(C)C)CO2
361823532	ZINC000439635432	ref	2.69	-10.11	0	253.277	1.935	2	3	6	C=C(C)COCCNC(=O)Nc1cncc(F)c1
361823547	ZINC000629302282	ref	3.43	-10.99	0	292.364	1.883	0	5	4	Cn1nncc1S(=O)(=O)[N-]c1cccc(C2CCC2)c1
361823558	ZINC000629302282	low	3.43	-10.99	0	292.364	1.883	1	5	4	Cn1nncc1S(=O)(=O)Nc1cccc(C2CCC2)c1
398245503	ZINC000649440591	ref	8.77	-10.78	0	239.318	3.977	0	2	4	CC(C)CC(=O)c1cccc(-c2cccnc2)c1
398245507	ZINC000649440687	ref	7.09	-6.32	0	243.306	2.963	1	3	4	Cc1oncc1-c1ccc(C[C@H](O)C2CC2)cc1
214186941	ZINC000278488563	ref	5.88	-16.66	0	324.306	2.843	1	3	2	O=C(c1ccncc1)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
342079521	ZINC000625305507	ref	8.16	-13.75	0	288.376	1.794	0	5	2	Cc1nnc2n1CCN(C(=O)[C@@H]1C[C@H]1c1ccsc1)C2
342079522	ZINC000625305641	ref	4.99	-42.89	1	270.417	1.943	2	2	6	CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)C1CCOCC1
187169739	ZINC000125099231	ref	3.42	-12.31	0	276.336	1.925	2	3	6	CC1(C)C[C@@H]1C(=O)Nc1ccccc1OCCC(N)=O
342079523	ZINC000625306768	ref	3.48	-49.07	1	266.389	1.278	2	4	7	Cn1cc(CC[NH2+][C@@H](CCO)C2CCCCC2)nn1
342079524	ZINC000625306867	ref	7.13	-13.27	0	285.351	1.719	0	5	4	O=C(c1cnn(C2CC2)c1)N1CCC[C@@H]1Cn1cccn1
342079525	ZINC000625307015	ref	7.52	-44.24	1	260.341	1.681	1	4	8	C=CC[N@H+](CCc1cn(C)nn1)CCc1ccco1
342079526	ZINC000625307015	mid	7.5	-44.19	1	260.341	1.681	1	4	8	C=CC[N@@H+](CCc1cn(C)nn1)CCc1ccco1
342079527	ZINC000625307015	high	5.37	-11.57	0	260.341	1.681	0	5	8	C=CCN(CCc1cn(C)nn1)CCc1ccco1
342079528	ZINC000046600893	ref	5.32	-10.37	0	294.395	1.986	0	4	7	COCCN(CC(=O)N1CCC(C)CC1)Cc1ccco1
342079529	ZINC000046600893	low	7.42	-37.21	1	294.395	1.986	1	3	7	COCC[N@H+](CC(=O)N1CCC(C)CC1)Cc1ccco1
342079530	ZINC000046600893	low	7.42	-38.63	1	294.395	1.986	1	3	7	COCC[N@@H+](CC(=O)N1CCC(C)CC1)Cc1ccco1
342079531	ZINC000625307068	ref	8.01	-13.49	0	294.399	1.805	0	5	5	CCO[C@@H](C(=O)N1CCn2c(nnc2C(C)C)C1)C(C)C
342088384	ZINC000121490020	low	4.13	-39.2	1	263.272	1.237	2	3	4	Cn1c[nH+]cc1CCNC(=O)c1c(O)cccc1F
342088385	ZINC000121401687	ref	8.25	-19.19	0	282.347	1.884	1	4	4	Cn1cncc1CCNC(=O)c1cccc2c1ccn2C
342088386	ZINC000121401687	low	8.76	-42.73	1	282.347	1.884	1	3	4	Cn1c[nH+]cc1CCNC(=O)c1cccc2c1ccn2C
365637569	ZINC000576599716	low	6.6	-104.37	2	249.358	1.776	1	2	4	Cc1[nH+]cc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)n1C
365637572	ZINC000576599716	high	4.96	-7.43	0	249.358	1.776	1	4	4	Cc1ncc(CN[C@@]2(C)CCO[C@@H]2C2CC2)n1C
295666369	ZINC000412987356	ref	6.78	-21.35	0	317.301	2.555	1	6	6	COc1ccc(OCc2cc(=O)[nH]c(C3CC3)n2)c([N+](=O)[O-])c1
222608505	ZINC000291775020	ref	4.26	-14.93	0	315.373	2.395	1	4	6	CCN(CC)C(=O)c1ccc(CNC(=O)c2ncc(C)o2)cc1
136229266	ZINC000184908205	ref	5.85	-10.92	0	232.327	2.343	1	2	6	C=C(C)C[C@H](C)C(=O)NCCc1ccccn1
136229267	ZINC000292820258	ref	2.9	-5.64	0	207.176	0.487	1	3	5	C=CCC(F)(F)C(=O)NCC(=O)OC
342079532	ZINC000625312390	ref	1.92	-5.95	0	282.306	1.1	1	3	4	C[C@H](O)CN1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1
342079533	ZINC000625312390	mid	4.17	-41.65	1	282.306	1.1	2	2	4	C[C@H](O)C[NH+]1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1
342079534	ZINC000625307420	ref	0.43	-40.69	1	285.428	1.573	4	3	8	OCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCCCC1
214186942	ZINC000053525195	high	7.3	-59.05	-1	345.309	3.299	1	5	6	O=C(Cc1ccc(OC(F)F)cc1)Nc1n[n-]c(-c2ccccn2)n1
136229268	ZINC000292820258	high	1.48	-38.74	-1	207.176	0.487	0	3	5	C=CCC(F)(F)C(=O)[N-]CC(=O)OC
342079535	ZINC000608867086	ref	2.1	-13.07	0	265.313	1.474	0	6	7	CCOC(=O)CN(Cc1nnc(C2CC2)o1)C1CC1
342079536	ZINC000625307827	ref	7.23	-12.48	0	290.289	1.771	0	4	3	CCc1nnc2n1CCN(C(=O)C[C@H](C)C(F)(F)F)C2
342079537	ZINC000625312626	ref	5.45	-46.54	1	276.388	1.468	1	5	5	Cn1cc([C@@H]([NH2+]CCc2cn(C)nn2)C(C)(C)C)cn1
342079538	ZINC000625312626	high	4.57	-12.33	0	276.388	1.468	1	6	5	Cn1cc([C@@H](NCCc2cn(C)nn2)C(C)(C)C)cn1
342079539	ZINC000625307678	ref	6.07	-12.89	0	293.415	1.137	1	5	6	CN(CC(=O)NCC(C)(C)C)Cc1cnc(N(C)C)nc1
342079540	ZINC000625307678	low	8.32	-48.21	1	293.415	1.137	2	4	6	CN(C)c1ncc(C[N@H+](C)CC(=O)NCC(C)(C)C)cn1
342079541	ZINC000625307678	low	8.32	-48.23	1	293.415	1.137	2	4	6	CN(C)c1ncc(C[N@@H+](C)CC(=O)NCC(C)(C)C)cn1
342079542	ZINC000625312402	ref	6.07	-36.62	1	253.386	1.94	3	2	6	C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CC=CCC1
342079543	ZINC000625312402	mid	5.89	-37.49	1	253.386	1.94	3	2	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CC=CCC1
342079544	ZINC000625312081	ref	2.89	-34.05	1	271.401	1.135	4	3	6	C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCC[C@@H]1O
342079545	ZINC000625312081	mid	2.71	-34.74	1	271.401	1.135	4	3	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCC[C@@H]1O
342088387	ZINC000121501735	ref	7.95	-14.2	0	269.414	1.856	1	4	7	CCS[C@H](C(=O)NCCc1cncn1C)C(C)C
365637576	ZINC000274366630	ref	7.37	-5.23	0	253.306	1.161	1	5	6	CC(C)N(CC[NH+](C)C)c1ncc([N+](=O)[O-])cn1
365637579	ZINC000274366630	high	7.37	-5.23	0	253.306	1.161	0	6	6	CC(C)N(CCN(C)C)c1ncc([N+](=O)[O-])cn1
365637586	ZINC000274365022	ref	2.64	-16.84	0	294.332	1.165	0	6	3	Cn1nccc1CS(=O)(=O)c1ccc2c(c1)OCCO2
365637594	ZINC000274364543	ref	3.34	-12.74	0	295.282	1.963	1	3	5	CCC(=O)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1
365637601	ZINC000274366668	ref	4.62	-11.87	0	297.282	1.735	1	5	5	COC(=O)C1(C(=O)Nc2cc(F)c(OC)cc2OC)CC1
343994039	ZINC000079910718	ref	7.15	-13.92	0	280.412	2.332	1	2	6	CCCC(=O)NC[C@H]1CCCN(C(=O)CC2CCC2)C1
349535082	ZINC000258923982	high	6.68	-5.21	0	206.333	2.85	1	2	5	N#CC1(CNCCC2CCCCC2)CC1
365637610	ZINC000274365557	ref	4.08	-11.94	0	283.763	1.593	2	5	4	CNc1c(Cl)ncnc1N[C@@H]1CC(=O)N(C(C)C)C1
197593950	ZINC000162813592	ref	7.45	-43.31	1	324.509	3.258	2	2	8	CCCOC1(CNC(=O)C[C@H](C)C2CC[NH2+]CC2)CCCCC1
365637616	ZINC000274365458	ref	6.38	-47.45	1	263.345	1.425	2	3	2	CC(C)[N@@H+]1CCCN(C(=O)Nc2cncnc2)CC1
197593961	ZINC000162823177	ref	4.24	-48.31	1	314.139	2.199	2	3	5	C=CC[C@H]([NH3+])C(=O)Nc1cc([N+](=O)[O-])ccc1Br
197593962	ZINC000162823177	high	3.95	-10.61	0	314.139	2.199	2	4	5	C=CC[C@H](N)C(=O)Nc1cc([N+](=O)[O-])ccc1Br
282122910	ZINC000174521282	ref	2.4	-17.8	0	279.344	-0.652	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CN(C)CCO1)CC2
342079546	ZINC000625312285	ref	6.73	-13.12	0	296.334	1.231	0	6	3	O=C(c1ccnc2ccnn12)N1CCC[C@H]1Cn1cccn1
342079547	ZINC000625312716	ref	6.37	-41.31	1	256.39	1.65	2	2	7	CCC[C@H](C)CCC[N@@H+]1CCO[C@@H](C(=O)NC)C1
259308357	ZINC000180695785	ref	8.93	-9.06	0	225.313	3.717	0	3	4	CCS[C@H](C)c1cc([N+](=O)[O-])ccc1C
342079548	ZINC000625312716	mid	6.52	-48.56	1	256.39	1.65	2	2	7	CCC[C@H](C)CCC[N@H+]1CCO[C@@H](C(=O)NC)C1
342079549	ZINC000625312716	mid	4.25	-9.75	0	256.39	1.65	1	3	7	CCC[C@H](C)CCCN1CCO[C@@H](C(=O)NC)C1
342079550	ZINC000608867729	ref	6.78	-11.46	0	274.32	1.86	1	4	3	COC(=O)C(C)(C)NC(=O)c1cccc2c1ccn2C
342079551	ZINC000046602612	ref	8.45	-35.08	1	258.365	1.929	2	1	6	C[N@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1
342079552	ZINC000046602612	mid	8.45	-34.66	1	258.365	1.929	2	1	6	C[N@@H+](CC(=O)NCC1(c2ccccc2)CC1)C1CC1
342079553	ZINC000046602612	mid	6.08	-8.11	0	258.365	1.929	1	2	6	CN(CC(=O)NCC1(c2ccccc2)CC1)C1CC1
342079554	ZINC000046602894	ref	6.75	-46.67	1	293.367	1.87	3	3	8	CCCC[N@H+](CC(=O)NC(=O)NCc1ccco1)C1CC1
342079555	ZINC000046602894	mid	6.86	-45.99	1	293.367	1.87	3	3	8	CCCC[N@@H+](CC(=O)NC(=O)NCc1ccco1)C1CC1
342079556	ZINC000046602894	high	4.98	-17.08	0	293.367	1.87	2	4	8	CCCCN(CC(=O)NC(=O)NCc1ccco1)C1CC1
342079557	ZINC000046602899	ref	7.14	-46.31	1	269.389	1.733	3	2	8	CCCC[N@H+](CC(=O)NC(=O)NCC(C)C)C1CC1
342079558	ZINC000046602899	mid	7.25	-45.65	1	269.389	1.733	3	2	8	CCCC[N@@H+](CC(=O)NC(=O)NCC(C)C)C1CC1
365637578	ZINC000123360581	mid	6.24	-10.77	0	298.39	2.129	1	3	4	CN(Cc1nc(-c2ccccc2)c[nH]1)C(=O)[C@H]1CCCN1C
365637585	ZINC000123348591	ref	5.18	-12.66	0	263.341	2.032	1	3	2	O=C([C@H]1CCCCO1)N1CCCC[C@H]1c1cn[nH]c1
214186944	ZINC000278488563	mid	5.8	-11.52	0	324.306	2.843	1	3	2	O=C(c1ccncc1)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
214186946	ZINC000278488747	ref	1.99	-44.24	1	306.225	2.142	2	3	5	OCC[C@]1([NH2+]Cc2csc(Br)c2)CCOC1
342079559	ZINC000046602899	high	5.37	-17.04	0	269.389	1.733	2	3	8	CCCCN(CC(=O)NC(=O)NCC(C)C)C1CC1
342079560	ZINC000625307493	ref	5.44	-38.62	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1
342079561	ZINC000625307493	mid	5.5	-41.23	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@H](O)C1
365637596	ZINC000123336482	ref	6.07	-8.66	0	279.384	2.384	1	3	5	CCC1(CC)[C@@H](N(C)C(=O)c2cc(C)n[nH]2)C[C@H]1OC
214186949	ZINC000278488747	high	1.0	-4.55	0	306.225	2.142	2	4	5	OCC[C@]1(NCc2csc(Br)c2)CCOC1
342079562	ZINC000625307493	mid	3.26	-8.63	0	284.444	1.878	2	3	3	CC(C)(C)CNC(=O)CN1CC[C@H](C(C)(C)C)[C@H](O)C1
342079563	ZINC000046602256	ref	6.19	-41.79	1	279.336	1.307	2	4	7	COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C2CC2)cc1
342079564	ZINC000046602256	mid	5.9	-42.15	1	279.336	1.307	2	4	7	COC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)C2CC2)cc1
342079565	ZINC000046602256	high	3.52	-8.47	0	279.336	1.307	1	5	7	COC(=O)c1ccc(OC[C@H](O)CN(C)C2CC2)cc1
342079566	ZINC000608869209	ref	4.53	-8.71	0	284.743	1.82	2	4	5	COC(=O)C(C)(C)NC(=O)CNc1cccc(Cl)c1
365637607	ZINC000123336482	mid	6.2	-10.28	0	279.384	2.384	1	3	5	CCC1(CC)[C@@H](N(C)C(=O)c2cc(C)[nH]n2)C[C@H]1OC
222608498	ZINC000283715191	ref	8.51	-15.68	0	316.409	1.02	1	5	5	C=C(C)Cn1c(CC2CC2)nnc1N1CCN2C(=O)NC[C@H]2C1
214186951	ZINC000278488113	ref	0.38	-12.54	0	306.156	1.559	2	4	6	COC[C@@](C)(CCO)NC(=O)c1ccoc1Br
342079567	ZINC000625308921	ref	0.81	-7.01	0	262.288	1.87	1	5	5	COc1cncc(CN[C@H](C)c2cncc(F)c2)n1
342079568	ZINC000625308921	low	1.92	-51.2	1	262.288	1.87	1	4	5	COc1cncc(C[NH2+][C@H](C)c2cncc(F)c2)n1
342596447	ZINC000616971934	ref	3.14	-20.74	0	276.336	1.34	2	3	5	CC(C)COc1cccc(C(=O)N[C@@H]2CCNC2=O)c1
342596448	ZINC000616971097	ref	3.43	-16.76	0	282.34	1.313	2	3	5	O=C(CCSc1ccc(F)cc1)N[C@H]1CCNC1=O
342596449	ZINC000616971305	ref	3.18	-23.21	0	282.727	1.032	2	3	4	Cc1ccc(Cl)c(OCC(=O)N[C@@H]2CCNC2=O)c1
342596450	ZINC000616971924	ref	2.95	-19.7	0	271.32	1.105	3	2	4	O=C(CCc1c[nH]c2ccccc12)N[C@@H]1CCNC1=O
342596451	ZINC000616971925	ref	2.96	-18.4	0	271.32	1.105	3	2	4	O=C(CCc1c[nH]c2ccccc12)N[C@H]1CCNC1=O
342596452	ZINC000616972178	ref	4.15	-17.12	0	258.321	1.491	2	2	3	Cc1ccc(C2CC2)c(C(=O)N[C@@H]2CCNC2=O)c1
342596453	ZINC000616971304	ref	3.18	-23.2	0	282.727	1.032	2	3	4	Cc1ccc(Cl)c(OCC(=O)N[C@H]2CCNC2=O)c1
342596454	ZINC000616971810	ref	3.0	-21.27	0	284.768	1.437	2	3	4	O=C(CSc1ccccc1Cl)N[C@@H]1CCNC1=O
197593973	ZINC000290095621	ref	6.73	-7.07	0	286.297	3.361	0	2	2	CC[C@@H]1[C@@H](C)CCN1C(=O)c1cncc(C(F)(F)F)c1
342596455	ZINC000616972214	ref	3.15	-19.12	0	288.347	1.336	2	3	2	CC1(C)C[C@H](C(=O)N[C@H]2CCNC2=O)c2ccccc2O1
342596456	ZINC000616971222	ref	2.77	-19.76	0	294.376	1.182	2	4	6	CCOc1ccc(SCC(=O)N[C@@H]2CCNC2=O)cc1
214186948	ZINC000053535170	ref	2.68	-67.82	1	336.255	1.039	1	4	4	Cc1nn(CC[NH2+][C@@H]2CCS(=O)(=O)C2)c(C)c1Br
214186953	ZINC000053535170	high	1.52	-14.86	0	336.255	1.039	1	5	4	Cc1nn(CCN[C@@H]2CCS(=O)(=O)C2)c(C)c1Br
214186958	ZINC000053527668	ref	8.58	-41.83	1	331.46	3.028	2	2	5	COc1ccc([C@H](CNC(=O)N2CCCC2)[NH+]2CCCCC2)cc1
342596457	ZINC000616971917	ref	4.34	-19.78	0	268.316	1.387	2	2	3	O=C(Cc1ccc2ccccc2c1)N[C@@H]1CCNC1=O
342596458	ZINC000616971890	ref	2.29	-18.72	0	262.309	1.092	2	3	4	CC(C)Oc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
214186963	ZINC000053527668	mid	6.22	-9.83	0	331.46	3.028	1	3	5	COc1ccc([C@H](CNC(=O)N2CCCC2)N2CCCCC2)cc1
214186966	ZINC000053528141	ref	6.0	-10.35	0	349.45	2.641	1	3	4	C[C@@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)C1
214186970	ZINC000053527418	ref	5.92	-15.87	0	341.375	2.118	2	7	5	CC(C)(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1
214186975	ZINC000053527418	mid	5.91	-15.66	0	341.375	2.118	2	7	5	CC(C)(C)c1noc(CCC(=O)Nc2nc(-c3ccccn3)n[nH]2)n1
342596459	ZINC000616971148	ref	2.77	-18.77	0	252.339	1.075	2	3	5	O=C(CCCc1cccs1)N[C@@H]1CCNC1=O
342079569	ZINC000625307423	ref	0.46	-41.87	1	285.428	1.573	4	3	8	OCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCCCC1
178303004	ZINC000052272216	ref	7.04	-47.81	1	244.342	2.405	1	3	3	Cc1cc2ncc([C@H](C)[NH2+][C@H]3C[C@@H]3C)c(C)n2n1
178303006	ZINC000052272216	high	5.94	-7.49	0	244.342	2.405	1	4	3	Cc1cc2ncc([C@H](C)N[C@H]3C[C@@H]3C)c(C)n2n1
342079570	ZINC000625312392	ref	1.82	-7.1	0	282.306	1.1	1	3	4	C[C@@H](CC(=O)N1CCN(C[C@@H](C)O)CC1)C(F)(F)F
342079571	ZINC000625312392	mid	4.17	-41.49	1	282.306	1.1	2	2	4	C[C@@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F
342079572	ZINC000625312507	ref	3.38	-9.07	0	294.42	1.377	1	4	4	C[C@@H](O)CN1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1
342079573	ZINC000625312507	mid	5.71	-44.96	1	294.42	1.377	2	3	4	C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2C[C@H]2c2ccsc2)CC1
178303009	ZINC000104824187	ref	2.99	-38.83	-1	246.129	2.652	0	2	0	Cc1cc2[n-]c(=S)oc2cc1Br
178303012	ZINC000001386215	ref	5.69	-7.49	0	230.296	2.348	1	5	1	Cc1cc2ncc(-c3cccs3)c(N)n2n1
342079574	ZINC000625317346	ref	3.64	-38.99	1	279.38	1.814	2	3	7	Cc1ccccc1[C@@H](CO)[NH2+]CCOC1CCOCC1
398245504	ZINC000650856821	high	2.36	-9.26	0	285.432	1.662	2	3	6	C[C@H]1CCC[C@@H](C)N1CCNC(=O)N(C)[C@H](C)CCO
342079575	ZINC000625317346	high	2.55	-7.24	0	279.38	1.814	2	4	7	Cc1ccccc1[C@@H](CO)NCCOC1CCOCC1
178303025	ZINC000070249177	ref	4.99	-9.69	0	246.314	1.732	1	4	3	Cc1cc2ncc(C(=O)NCC(C)C)c(C)n2n1
398245506	ZINC000650858098	ref	-2.63	-11.88	0	253.302	1.026	3	4	6	O=C(NCCC1(CO)CCC1)NCc1cocn1
229487532	ZINC000367753282	ref	8.48	-13.28	0	304.438	3.32	1	3	6	C=CCCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1cn(C)nc1C
178303027	ZINC000294253924	ref	5.34	-11.8	0	248.286	1.416	1	5	3	Cc1cc2ncc(C(=O)NOC(C)C)c(C)n2n1
214186954	ZINC000278488335	ref	4.29	-12.51	0	306.395	1.955	2	7	5	CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nccnc1N
398245508	ZINC000650856823	ref	4.4	-38.49	1	285.432	1.662	3	2	6	C[C@H](CCO)N(C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C
398245511	ZINC000650856823	high	2.18	-8.69	0	285.432	1.662	2	3	6	C[C@H](CCO)N(C)C(=O)NCCN1[C@H](C)CCC[C@H]1C
178303040	ZINC000072107633	ref	6.3	-10.16	0	208.264	3.4	0	2	0	Cc1cc2nc3ccccc3nc2cc1C
214190458	ZINC000337634865	high	1.24	-61.36	0	264.329	0.562	2	3	3	Cc1cc(C(=O)NCC2CC[NH+](C)CC2)[n-]c(=O)n1
342079576	ZINC000625312399	ref	4.6	-36.52	1	253.386	1.94	3	2	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CC=CCC1
342079577	ZINC000625312399	mid	4.59	-36.95	1	253.386	1.94	3	2	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CC=CCC1
365637580	ZINC000576600120	ref	6.89	-9.69	0	238.375	3.148	1	1	2	CC[C@@H]1CC[C@@H](NC(=O)N2[C@@H](C)C[C@H]2C)CC1
365637592	ZINC000175979454	ref	6.83	-42.18	1	224.348	1.729	1	1	3	CCC1(C(=O)N2CC[C@@H]([NH+](C)C)C2)CCC1
365637600	ZINC000175979454	high	4.43	-8.4	0	224.348	1.729	0	2	3	CCC1(C(=O)N2CC[C@@H](N(C)C)C2)CCC1
365637611	ZINC000576600620	ref	3.29	-7.26	0	228.292	1.148	1	3	1	CC1(C)COC[C@H]1NC(=O)N1CCCCO1
365637622	ZINC000576599717	ref	5.92	-44.97	1	249.358	1.776	1	3	4	Cc1ncc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)n1C
282122915	ZINC000424473671	low	5.75	-42.81	0	322.409	1.741	2	6	8	CCC(CC)(CNc1cc(N2CCC[C@@H]2CO)nc[nH+]1)C(=O)[O-]
282122917	ZINC000424473671	low	5.87	-43.7	0	322.409	1.741	2	6	8	CCC(CC)(CNc1cc(N2CCC[C@@H]2CO)[nH+]cn1)C(=O)[O-]
282122925	ZINC000301441568	ref	4.12	-15.14	0	271.386	1.8	1	5	6	CCC(CC)(CNc1cc(C)ncn1)S(C)(=O)=O
282122932	ZINC000301441568	low	4.38	-36.78	1	271.386	1.8	1	4	6	CCC(CC)(CNc1cc(C)[nH+]cn1)S(C)(=O)=O
365637630	ZINC000576599717	low	6.39	-103.11	2	249.358	1.776	1	2	4	Cc1[nH+]cc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)n1C
365637634	ZINC000576599717	high	4.76	-7.62	0	249.358	1.776	1	4	4	Cc1ncc(CN[C@]2(C)CCO[C@H]2C2CC2)n1C
365637645	ZINC000576600118	ref	6.95	-9.19	0	238.375	3.148	1	1	2	CC[C@@H]1CC[C@@H](NC(=O)N2[C@@H](C)C[C@@H]2C)CC1
365637652	ZINC000576601201	ref	5.26	-12.43	0	248.33	2.663	1	3	2	CC[C@H]1CCCCCN1C(=O)Nc1ccnnc1
365637659	ZINC000576604067	ref	6.0	-31.82	1	241.375	2.35	1	2	7	C[C@@H]([NH2+]CCOCC1CCC1)[C@@]1(C)CCCO1
255763868	ZINC000273564071	mid	4.7	-10.04	0	373.472	2.68	3	3	9	CN(C)Cc1cc(CNC(=O)NC[C@H](O)CCc2ccccc2)ccc1F
342079578	ZINC000625317371	ref	6.49	-38.11	1	289.383	1.312	1	4	3	C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cn(C2CC2)nn1
230731598	ZINC000425467995	ref	8.17	-36.95	1	305.418	2.428	2	3	6	COC(=O)[C@H](CC[N@@H+]1CCC[C@H](CO)CC1)c1ccccc1
342079579	ZINC000625317371	mid	7.21	-37.78	1	289.383	1.312	1	4	3	C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079580	ZINC000625317371	high	4.04	-10.17	0	289.383	1.312	0	5	3	CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079581	ZINC000625307526	ref	4.77	-12.59	0	286.339	1.02	1	6	4	CNc1cnc(C(=O)N2CCC[C@@H]2Cn2cccn2)cn1
342079582	ZINC000625313218	ref	5.31	-36.48	1	257.374	1.683	1	3	5	CO[C@H]1CCC[N@H+](CCOC2CCOCC2)CC1
342079583	ZINC000625313218	mid	5.33	-36.3	1	257.374	1.683	1	3	5	CO[C@H]1CCC[N@@H+](CCOC2CCOCC2)CC1
342079584	ZINC000625307915	ref	7.75	-14.21	0	280.372	1.388	0	5	6	CCC[C@@H](OCC)C(=O)N1CCn2c(CC)nnc2C1
342079585	ZINC000625307516	ref	4.83	-39.8	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1
349535084	ZINC000594970032	ref	5.41	-51.54	1	298.477	2.8	1	3	5	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2scnc2C2CC2)C1
349535088	ZINC000594970032	high	4.24	-13.34	0	298.477	2.8	1	4	5	C[S@](=O)[C@@H]1CCC[C@H](NCc2scnc2C2CC2)C1
349535092	ZINC000594968895	ref	5.87	-51.31	1	271.451	2.836	1	2	4	Cc1ccsc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1
349535095	ZINC000594969547	ref	7.29	-54.5	1	293.358	2.838	1	3	8	C=CCCSCC[NH2+]Cc1cc(C(F)(F)F)nn1C
190493873	ZINC000269433109	ref	4.55	-9.79	0	268.386	2.308	2	6	4	Cc1cn2nc(N[C@H](CO)CC(C)(C)C)sc2n1
214186956	ZINC000278487349	ref	8.18	-17.05	0	305.353	3.073	1	4	5	COC(C)(C)CC(=O)Nc1cc(C)nn1-c1ccccc1F
214186959	ZINC000278487093	ref	8.69	-17.71	0	302.378	2.719	1	5	6	CCn1cnnc1-c1cccc(NC(=O)CC(C)(C)OC)c1
136229269	ZINC000184906523	ref	2.8	-14.72	0	236.315	0.76	1	2	3	C#CCC(C)(C)C(=O)N1CCC[C@H](C(N)=O)C1
342079586	ZINC000625307516	mid	5.26	-40.81	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@H+]1CC[C@H](C(C)(C)C)[C@@H](O)C1
199273083	ZINC000181260334	ref	1.32	-16.95	0	301.339	1.181	1	4	1	CC1(C)CN(C(=O)c2ccc(O)cc2F)CCS1(=O)=O
342079587	ZINC000625307516	mid	3.07	-7.25	0	284.444	1.878	2	3	3	CC(C)(C)CNC(=O)CN1CC[C@H](C(C)(C)C)[C@@H](O)C1
342079588	ZINC000625311991	ref	4.81	-13.8	0	297.443	1.339	1	3	5	CN(C)C(=O)CC1CCN(CC(=O)NCC(C)(C)C)CC1
349535101	ZINC000594969547	high	5.93	-6.73	0	293.358	2.838	1	4	8	C=CCCSCCNCc1cc(C(F)(F)F)nn1C
136229270	ZINC000292801681	ref	7.36	-33.66	1	231.339	2.858	1	1	7	C=CCOCC[NH2+]C1(c2ccccc2)CCC1
214186961	ZINC000278488197	ref	7.41	-12.26	0	304.312	3.394	2	2	6	CC[C@H](C)[C@@H](NC(=O)NOCc1ccccc1)C(F)(F)F
342079589	ZINC000625311991	mid	6.99	-42.69	1	297.443	1.339	2	2	5	CN(C)C(=O)CC1CC[NH+](CC(=O)NCC(C)(C)C)CC1
214190461	ZINC000337635417	ref	8.11	-7.33	0	251.292	3.224	0	1	5	CCCCN(CC(F)(F)F)C(=O)[C@@H]1CC1(C)C
342079590	ZINC000625307556	ref	7.91	-15.13	0	277.368	1.689	0	4	6	CCO[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)C1CC1
342079591	ZINC000625312715	ref	6.52	-48.59	1	256.39	1.65	2	2	7	CCC[C@@H](C)CCC[N@@H+]1CCO[C@H](C(=O)NC)C1
342079592	ZINC000625312715	mid	6.37	-41.34	1	256.39	1.65	2	2	7	CCC[C@@H](C)CCC[N@H+]1CCO[C@H](C(=O)NC)C1
342079593	ZINC000625312715	mid	4.11	-9.77	0	256.39	1.65	1	3	7	CCC[C@@H](C)CCCN1CCO[C@H](C(=O)NC)C1
342079594	ZINC000625307561	ref	8.19	-11.53	0	277.368	1.689	0	4	6	CCO[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)C1CC1
214186964	ZINC000278487826	ref	4.06	-40.21	1	300.353	3.118	2	4	10	C=CC[NH+](CC=C)[C@H](CNc1nnc(C(F)F)o1)C(C)C
214186965	ZINC000278487826	mid	1.78	-29.87	0	300.353	3.118	1	3	10	C=CC[NH+](CC=C)[C@H](C[N-]c1nnc(C(F)F)o1)C(C)C
214186969	ZINC000278488217	ref	6.35	-22.57	0	324.362	1.484	1	6	3	CS(=O)(=O)[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1
214186973	ZINC000278489012	ref	4.75	-6.78	0	311.303	3.259	2	3	6	COc1cc(CCO)ccc1NCc1cc(F)c(F)cc1F
214186974	ZINC000278488980	ref	2.91	-13.31	0	308.378	1.9	2	4	7	CCOCCOC1CN(C(=O)N[C@@H](C)c2cccc(O)c2)C1
342079595	ZINC000625307195	ref	7.66	-13.47	0	280.372	1.244	0	5	5	CCO[C@H](C(=O)N1CCn2c(CC)nnc2C1)C(C)C
342079596	ZINC000625307570	ref	-0.34	-5.26	0	279.384	1.714	1	5	3	COc1cncc(CN2CC[C@@H](C(C)(C)C)[C@H](O)C2)n1
214186978	ZINC000278488478	ref	2.32	-10.86	0	306.362	1.299	3	4	4	CC(C)(C)[C@@H](CO)NC(=O)C[C@@H]1Oc2ccccc2NC1=O
214186981	ZINC000278488665	ref	1.52	-15.74	0	319.308	2.077	1	5	4	CCN(C[C@H](O)C(F)(F)F)C(=O)c1nc2cccnc2s1
214186985	ZINC000278486937	ref	8.66	-9.82	0	324.449	3.466	1	3	3	O=C(NCc1ccc2c(n1)CCCC2)[C@H]1CSc2ccccc21
214186988	ZINC000278487124	ref	10.08	-14.95	0	314.385	2.896	0	4	5	CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cccc(C#N)c1
214186991	ZINC000278489027	ref	5.72	-43.55	1	319.449	2.609	4	2	8	O=C(NCCCCO)Nc1ccc(CC[NH+]2CCCCC2)cc1
342079597	ZINC000625307570	mid	2.1	-42.59	1	279.384	1.714	2	4	3	COc1cncc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)n1
342079598	ZINC000625307570	mid	2.27	-43.09	1	279.384	1.714	2	4	3	COc1cncc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)n1
342079599	ZINC000625312997	ref	3.76	-11.22	0	290.323	1.665	0	6	3	COc1nc(C(=O)N2CCC[C@H](n3ccnc3C)C2)co1
342079600	ZINC000625312997	mid	4.23	-32.32	1	290.323	1.665	0	5	3	COc1nc(C(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)co1
214186994	ZINC000278487822	ref	4.91	-18.08	0	307.828	1.928	0	6	5	CCS(=O)(=O)C[C@@H](C)N(C)c1nc(Cl)c(C#N)s1
342079601	ZINC000625312086	ref	2.81	-36.58	1	271.401	1.135	4	3	6	C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C[C@H](O)CC1(O)CCC1
342079602	ZINC000625312086	mid	2.83	-35.71	1	271.401	1.135	4	3	6	C[N@H+](C[C@@H]1CCCC[C@@H]1O)C[C@H](O)CC1(O)CCC1
214186998	ZINC000278487812	ref	5.76	-16.07	0	320.389	1.625	0	4	3	CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1
214187002	ZINC000278487925	ref	6.3	-43.63	1	300.402	2.396	3	2	5	O=C(/C=C/c1cccc(O)c1)NCC1CC[NH+](C2CC2)CC1
342596460	ZINC000616971058	ref	3.84	-16.45	0	252.358	1.742	2	2	5	O=C(CCCC1CCCCC1)N[C@@H]1CCNC1=O
214186972	ZINC000337627140	mid	4.07	-43.31	1	296.29	0.613	1	6	3	Cn1nc(C(=O)Nc2c[nH+]ccc2-n2cccn2)ccc1=O
214186976	ZINC000337627543	ref	0.32	-18.13	0	271.317	-0.611	2	6	7	C[C@H](O)CN(C(=O)COc1cnn(C)c1)[C@@H](C)CO
282122918	ZINC000151678105	ref	6.98	-40.0	1	318.421	2.19	2	3	5	O=C(Nc1cccnc1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1
365637598	ZINC000617436232	high	3.83	-17.36	0	251.334	0.742	1	5	5	CCN(CC)CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
349535085	ZINC000621243070	ref	5.34	-34.7	1	295.814	2.032	1	3	4	Clc1cncc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1
282122923	ZINC000151678105	high	4.72	-10.87	0	318.421	2.19	1	4	5	O=C(Nc1cccnc1)N1CC[C@@H](OCCN2CCCCC2)C1
282122927	ZINC000151676212	ref	5.24	-13.05	0	306.362	2.069	2	4	5	Cc1ccc2c(c1)[C@@H](NC(=O)NCCC(=O)OC(C)C)CO2
342596461	ZINC000616971217	ref	4.43	-21.31	0	290.363	1.502	2	3	5	Cc1cc(OCC(=O)N[C@@H]2CCNC2=O)ccc1C(C)C
342596462	ZINC000616972191	ref	4.04	-17.15	0	278.377	1.482	2	3	5	Cc1ccc(SCCC(=O)N[C@H]2CCNC2=O)cc1
342596463	ZINC000616971804	ref	3.15	-17.74	0	276.336	1.077	2	3	5	Cc1ccc(C)c(OCCC(=O)N[C@@H]2CCNC2=O)c1
365637603	ZINC000617437635	ref	3.67	-17.66	0	279.344	0.706	2	5	6	CCCNC(=O)CCC(=O)N[C@@H]1C[C@H](C)n2ncnc21
222608539	ZINC000283699279	ref	6.33	-12.77	0	305.353	1.689	1	3	3	CC#CCNC(=O)N1CCN(c2ccc(F)c(OC)c2)CC1
342596464	ZINC000308373558	ref	7.48	-16.92	0	271.328	1.084	1	7	6	CCc1nc(C#N)cc(NCCCc2nncn2C)n1
199273084	ZINC000181260334	mid	2.1	-44.45	-1	301.339	1.181	0	4	1	CC1(C)CN(C(=O)c2ccc([O-])cc2F)CCS1(=O)=O
199273086	ZINC000181263872	ref	6.05	-19.87	0	309.369	2.742	1	3	4	COc1ccccc1C[C@H]1CCCN1C(=O)c1c[nH]c(C#N)c1
342596465	ZINC000616972208	ref	3.2	-20.42	0	282.727	1.032	2	3	4	Cc1cc(Cl)ccc1OCC(=O)N[C@H]1CCNC1=O
199273089	ZINC000181265077	ref	7.11	-21.61	0	308.338	0.158	0	7	7	COCCN(Cc1ccc(C)o1)C(=O)Cn1ncn(C)c1=O
199273091	ZINC000181262442	ref	8.46	-7.07	0	302.422	3.091	1	5	8	CCOc1ccccc1[C@H](CC(C)C)NCc1ncnn1C
305079237	ZINC000431544143	high	2.68	-11.27	0	332.51	1.987	1	4	8	CN(CCNS(=O)(=O)CCC1CCOCC1)C1CCCCC1
342596466	ZINC000616972174	ref	2.04	-19.09	0	283.125	1.067	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccccc1Br
365637609	ZINC000617436834	ref	0.11	-18.17	0	258.343	0.372	2	4	6	N#CC1(CS(=O)(=O)NCC2(CO)CC2)CCC1
290622708	ZINC000492523100	ref	6.37	-9.66	0	272.348	2.218	0	3	3	COc1cncc(/C=C/C(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1
365637617	ZINC000617435692	ref	4.85	-21.41	0	273.296	0.874	1	6	4	C[C@@H]1C[C@H](NC(=O)COc2cccnc2)c2ncnn21
342596467	ZINC000616971096	ref	3.42	-16.76	0	282.34	1.313	2	3	5	O=C(CCSc1ccc(F)cc1)N[C@@H]1CCNC1=O
342600555	ZINC000590841079	ref	4.93	-21.32	0	287.367	1.663	1	4	3	Cc1cnc(CCNC(=O)N2CCC[C@](C)(C#N)C2)cn1
365637625	ZINC000617435737	ref	4.38	-18.49	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)n(C)n1
365637636	ZINC000617436233	ref	5.83	-45.34	1	251.334	0.742	2	4	5	CC[NH+](CC)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365637643	ZINC000617436233	high	3.83	-17.13	0	251.334	0.742	1	5	5	CCN(CC)CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365637648	ZINC000617435738	ref	4.39	-18.03	0	260.301	0.756	1	6	2	Cc1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)n(C)n1
290622711	ZINC000492522914	ref	3.61	-15.66	0	271.32	2.394	2	4	3	Cc1nn(C)c(C)c1NC(=O)/C=C/c1cccc(O)c1
365637653	ZINC000617438373	ref	1.44	-15.4	0	274.284	0.512	1	7	3	COc1ccc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)nn1
365637662	ZINC000617435450	ref	1.13	-20.66	0	286.295	0.208	2	6	3	C[C@H]1C[C@H](NC(=O)c2ccc(C(N)=O)cn2)c2ncnn21
365637669	ZINC000617437323	ref	3.93	-16.32	0	250.302	0.827	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)c2ncnn21
365637676	ZINC000617438517	ref	3.99	-11.48	0	291.351	0.839	1	4	5	CN(C[C@@H]1CCCCO1)C(=O)CNC(=O)c1ccncc1
365637683	ZINC000617437227	ref	4.69	-18.6	0	260.301	0.93	1	6	3	CCn1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)cn1
365637689	ZINC000617436235	ref	5.83	-44.16	1	251.334	0.742	2	4	5	CC[NH+](CC)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
299072253	ZINC000567661157	ref	7.63	-56.56	1	290.407	2.433	1	2	7	CCCOc1ccc(C[NH2+]C[C@H]2CCN(C)C(=O)C2)cc1
365637694	ZINC000617436235	high	3.81	-16.51	0	251.334	0.742	1	5	5	CCN(CC)CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365639314	ZINC000354712029	ref	3.49	-12.92	0	297.309	1.727	2	4	5	Cc1n[nH]cc1CNC(=O)c1c(C)nn(CC(F)F)c1C
282122919	ZINC000174521282	mid	4.82	-59.84	1	279.344	-0.652	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)CC2
282122922	ZINC000174521282	mid	4.66	-54.22	1	279.344	-0.652	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)CC2
365639319	ZINC000354712029	mid	3.47	-12.55	0	297.309	1.727	2	4	5	Cc1nn(CC(F)F)c(C)c1C(=O)NCc1cn[nH]c1C
299072258	ZINC000567660091	ref	6.21	-12.73	0	276.384	2.109	1	4	3	Cn1cc(N[C@H]2CCN(C(C)(C)C)C2=O)c(C2CC2)n1
214186979	ZINC000053527418	high	5.84	-53.14	-1	341.375	2.118	1	7	5	CC(C)(C)c1noc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)n1
342079603	ZINC000625312401	ref	4.62	-37.35	1	253.386	1.94	3	2	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CC=CCC1
342079604	ZINC000625312401	mid	4.96	-36.82	1	253.386	1.94	3	2	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CC=CCC1
342079605	ZINC000625312538	ref	4.36	-37.85	1	284.425	1.844	3	4	7	C[C@H](C[N@H+](C)C[C@H](O)CC1(O)CCC1)c1nccs1
342079606	ZINC000625312538	mid	4.16	-37.56	1	284.425	1.844	3	4	7	C[C@H](C[N@@H+](C)C[C@H](O)CC1(O)CCC1)c1nccs1
342079607	ZINC000625312538	high	2.08	-5.36	0	284.425	1.844	2	5	7	C[C@H](CN(C)C[C@H](O)CC1(O)CCC1)c1nccs1
342079608	ZINC000625312077	ref	2.67	-34.35	1	271.401	1.135	4	3	6	C[N@@H+](C[C@@H]1CCCC[C@H]1O)C[C@H](O)CC1(O)CCC1
342079609	ZINC000625312077	mid	2.69	-34.0	1	271.401	1.135	4	3	6	C[N@H+](C[C@@H]1CCCC[C@H]1O)C[C@H](O)CC1(O)CCC1
342079610	ZINC000625312714	ref	6.36	-41.26	1	256.39	1.65	2	2	7	CCC[C@@H](C)CCC[N@@H+]1CCO[C@@H](C(=O)NC)C1
342079611	ZINC000625312714	mid	6.53	-48.67	1	256.39	1.65	2	2	7	CCC[C@@H](C)CCC[N@H+]1CCO[C@@H](C(=O)NC)C1
342079612	ZINC000625312714	mid	4.26	-9.75	0	256.39	1.65	1	3	7	CCC[C@@H](C)CCCN1CCO[C@@H](C(=O)NC)C1
342079613	ZINC000625307422	ref	1.78	-41.78	1	285.428	1.573	4	3	8	OCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCCCC1
342079614	ZINC000625307793	ref	4.28	-10.2	0	264.295	1.924	1	4	4	Cn1cc(CCN[C@H](C(C)(C)C)C(F)(F)F)nn1
342079615	ZINC000625307228	ref	4.68	-11.78	0	264.358	1.026	0	7	5	CN(Cc1cnc(N(C)C)nc1)Cc1cnns1
342079616	ZINC000625308981	ref	6.49	-14.89	0	268.223	1.465	0	5	2	O=C(c1ccc(C(F)F)o1)N1CCn2cnnc2C1
342079617	ZINC000625312662	ref	6.85	-9.67	0	260.345	1.924	1	5	6	CCN(CC)c1nnc(-c2cn[nH]c2)n1CC1CC1
342079618	ZINC000032257696	ref	4.59	-13.08	0	280.349	1.349	2	4	3	CSc1ccccc1C(=O)NNC(=O)[C@H]1CCCO1
342079619	ZINC000625307900	ref	6.69	-17.67	0	288.355	1.021	0	6	3	CCc1nnc2n1CCN(C(=O)c1cn(CC)nc1C)C2
342079620	ZINC000625312283	ref	6.9	-21.86	0	296.334	1.231	0	6	3	O=C(c1ccnc2ccnn12)N1CCC[C@@H]1Cn1cccn1
342079621	ZINC000625307492	ref	5.5	-41.24	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1
342079622	ZINC000625307492	mid	5.42	-38.57	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@@H](O)C1
342079623	ZINC000625307492	mid	3.3	-6.25	0	284.444	1.878	2	3	3	CC(C)(C)CNC(=O)CN1CC[C@@H](C(C)(C)C)[C@@H](O)C1
342079624	ZINC000625307895	ref	5.81	-10.54	0	288.355	1.303	1	6	5	CN(c1nnc(-c2cn[nH]c2)n1CC1CC1)[C@@H]1CCOC1
214186980	ZINC000337626587	ref	-1.09	-18.28	0	264.347	-0.102	2	4	5	C[C@@H](CCS(C)(=O)=O)NC(=O)N[C@H]1CCOC1
214186983	ZINC000337626366	ref	4.71	-7.4	0	274.368	2.046	2	5	6	CC(C)CC[C@](C)(O)CNc1ncnc2ccncc12
342079625	ZINC000625307963	ref	2.98	-38.58	1	273.174	1.951	2	2	5	CC(C)[C@@H](CO)[NH2+]Cc1ccncc1Br
342079626	ZINC000625307963	high	1.78	-4.65	0	273.174	1.951	2	3	5	CC(C)[C@@H](CO)NCc1ccncc1Br
342079627	ZINC000625307553	ref	8.1	-13.38	0	277.368	1.689	0	4	6	CCO[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)C1CC1
342079628	ZINC000625317350	ref	7.36	-37.3	1	289.383	1.312	1	4	3	C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079629	ZINC000625317350	mid	6.51	-37.9	1	289.383	1.312	1	4	3	C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cn(C2CC2)nn1
222608560	ZINC000170624680	ref	9.07	-56.81	-1	368.82	3.408	1	4	3	C[C@@H]1Cc2cccc3c([O-])c(C(=O)NCc4ccc(Cl)cc4)c(=O)n1c23
342079630	ZINC000625317350	high	5.06	-8.7	0	289.383	1.312	0	5	3	CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079631	ZINC000625317365	ref	6.83	-37.65	1	289.383	1.312	1	4	3	C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079632	ZINC000625317365	mid	6.29	-38.95	1	289.383	1.312	1	4	3	C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079633	ZINC000625317365	high	6.0	-8.78	0	289.383	1.312	0	5	3	CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cn(C2CC2)nn1
136229271	ZINC000292801681	high	6.18	-2.45	0	231.339	2.858	1	2	7	C=CCOCCNC1(c2ccccc2)CCC1
342079634	ZINC000625307404	ref	4.58	-40.05	1	271.401	1.977	1	3	7	CC[C@@H]([NH2+]CCOC1CCOCC1)C1CCOCC1
342079635	ZINC000625307488	ref	5.26	-40.76	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1
342079636	ZINC000625307488	mid	4.83	-39.8	1	284.444	1.878	3	2	3	CC(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C(C)(C)C)[C@H](O)C1
342079637	ZINC000625307488	mid	3.11	-7.26	0	284.444	1.878	2	3	3	CC(C)(C)CNC(=O)CN1CC[C@@H](C(C)(C)C)[C@H](O)C1
342079638	ZINC000625307603	ref	0.47	-5.55	0	279.384	1.714	1	5	3	COc1cncc(CN2CC[C@H](C(C)(C)C)[C@@H](O)C2)n1
342079639	ZINC000625307603	mid	1.52	-40.95	1	279.384	1.714	2	4	3	COc1cncc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)n1
342079640	ZINC000625307603	mid	2.76	-43.24	1	279.384	1.714	2	4	3	COc1cncc(C[N@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)n1
342079641	ZINC000625312717	ref	6.53	-48.7	1	256.39	1.65	2	2	7	CCC[C@H](C)CCC[N@@H+]1CCO[C@H](C(=O)NC)C1
342079642	ZINC000625312717	mid	6.36	-41.28	1	256.39	1.65	2	2	7	CCC[C@H](C)CCC[N@H+]1CCO[C@H](C(=O)NC)C1
214186982	ZINC000053527418	high	5.75	-54.04	-1	341.375	2.118	1	7	5	CC(C)(C)c1noc(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)n1
214186984	ZINC000053527418	high	5.75	-54.02	-1	341.375	2.118	1	7	5	CC(C)(C)c1noc(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)n1
214186987	ZINC000053527369	ref	5.38	-15.88	0	327.348	1.944	2	7	6	CC(C)c1noc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1
342079643	ZINC000625312717	mid	4.11	-9.79	0	256.39	1.65	1	3	7	CCC[C@H](C)CCCN1CCO[C@H](C(=O)NC)C1
214186990	ZINC000053527369	mid	5.37	-15.66	0	327.348	1.944	2	7	6	CC(C)c1noc(CCC(=O)Nc2nc(-c3ccccn3)n[nH]2)n1
214186992	ZINC000053527369	high	5.3	-52.98	-1	327.348	1.944	1	7	6	CC(C)c1noc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)n1
214186996	ZINC000053527369	high	5.2	-53.92	-1	327.348	1.944	1	7	6	CC(C)c1noc(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)n1
214186997	ZINC000053527369	high	5.2	-53.87	-1	327.348	1.944	1	7	6	CC(C)c1noc(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)n1
214187000	ZINC000053544167	ref	8.34	-17.31	0	347.378	2.082	2	5	4	O=C1CCc2cc(C(=O)NCc3ccc(-n4cncn4)cc3)ccc2N1
214187007	ZINC000053535050	ref	7.72	-45.69	1	328.279	3.675	1	3	5	Cc1nn([C@H](C)C[NH2+]Cc2cccs2)c(C)c1Br
214187012	ZINC000053535050	high	6.35	-4.95	0	328.279	3.675	1	4	5	Cc1nn([C@H](C)CNCc2cccs2)c(C)c1Br
214187015	ZINC000053543855	ref	6.31	-10.43	0	332.444	3.024	2	3	4	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CNC(=O)C1CCCC1
214187019	ZINC000053524735	ref	6.94	-10.9	0	331.416	2.733	1	4	7	COc1ccccc1CN(C)C(=O)NC[C@H](c1ccco1)N(C)C
342079644	ZINC000625312857	ref	7.04	-13.46	0	266.345	1.29	1	5	7	CCO[C@H](C(=O)NCc1nncn1C1CC1)C(C)C
214187024	ZINC000053524735	mid	9.48	-40.81	1	331.416	2.733	2	3	7	COc1ccccc1CN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C
214187029	ZINC000053522868	ref	5.01	-12.37	0	338.452	2.165	2	5	6	Cc1cc(C)n(C[C@H](C)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1
342079645	ZINC000625312535	ref	4.14	-38.79	1	284.425	1.844	3	4	7	C[C@@H](C[N@H+](C)C[C@H](O)CC1(O)CCC1)c1nccs1
342079646	ZINC000625312535	mid	4.06	-36.2	1	284.425	1.844	3	4	7	C[C@@H](C[N@@H+](C)C[C@H](O)CC1(O)CCC1)c1nccs1
365637618	ZINC000123350772	ref	4.99	-40.17	1	279.771	2.248	2	3	6	C[C@H](Cn1cccn1)[NH2+][C@H](CO)c1ccc(Cl)cc1
178305329	ZINC000058021493	ref	8.2	-52.14	-1	220.232	0.84	0	6	4	Cc1cc2nnc(CCCC(=O)[O-])n2cn1
365637623	ZINC000336554799	ref	4.7	-7.83	0	260.341	2.444	0	5	3	Cc1noc(CN2CCCC[C@@H]2c2cccn2C)n1
365637631	ZINC000336554799	low	6.76	-36.88	1	260.341	2.444	1	4	3	Cc1noc(C[N@H+]2CCCC[C@@H]2c2cccn2C)n1
365637635	ZINC000336554799	low	6.38	-35.25	1	260.341	2.444	1	4	3	Cc1noc(C[N@@H+]2CCCC[C@@H]2c2cccn2C)n1
365637640	ZINC000336554689	ref	7.92	-6.95	0	276.38	2.493	0	3	2	Cn1cccc1C(=O)C(=O)N1CCC[C@H](C(C)(C)C)C1
230731591	ZINC000414308655	ref	10.67	-38.01	1	301.43	3.495	1	2	7	C=CC[C@H](Cc1ccccc1)[NH2+]C1CCC(C(=O)OC)CC1
365637651	ZINC000336554789	ref	3.92	-31.18	1	254.399	2.495	2	3	3	Cc1nc(C)c(C[N@H+]2[C@H](CO)CCC[C@H]2C)s1
365637658	ZINC000336554789	mid	3.88	-33.22	1	254.399	2.495	2	3	3	Cc1nc(C)c(C[N@@H+]2[C@H](CO)CCC[C@H]2C)s1
365637663	ZINC000336554789	high	2.03	-5.59	0	254.399	2.495	1	4	3	Cc1nc(C)c(CN2[C@H](CO)CCC[C@H]2C)s1
199273087	ZINC000294964831	ref	3.24	-42.24	1	273.323	1.745	3	2	8	C[C@@H](C[N@H+](CCO)CCCO)c1cc(F)cc(F)c1
365637671	ZINC000336554653	ref	4.56	-8.43	0	277.436	2.183	0	4	3	Cc1ccsc1S(=O)(=O)N(C)[C@@H]1CCSC1
365637681	ZINC000336554486	ref	7.34	-13.39	0	255.239	2.249	0	1	2	O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CC(F)C1
365637688	ZINC000336554865	ref	6.4	-31.81	1	251.326	2.14	1	3	3	Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H]2COCCO2)o1
299072254	ZINC000358087212	ref	3.21	-9.37	0	314.332	1.517	3	3	6	COC[C@@H](CO)NC(=O)NC1CC(c2cc(F)cc(F)c2)C1
342596468	ZINC000616971509	ref	4.76	-18.03	0	298.342	1.884	2	3	5	O=C(CCc1ccc(-c2ccccc2)o1)N[C@@H]1CCNC1=O
365637698	ZINC000336554865	mid	6.59	-33.35	1	251.326	2.14	1	3	3	Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2COCCO2)o1
199273088	ZINC000294964831	mid	3.7	-40.87	1	273.323	1.745	3	2	8	C[C@@H](C[N@@H+](CCO)CCCO)c1cc(F)cc(F)c1
365637703	ZINC000336554865	high	4.05	-4.94	0	251.326	2.14	0	4	3	Cc1ccc([C@@H]2CCCN2C[C@H]2COCCO2)o1
365637709	ZINC000336554742	ref	2.64	-8.75	0	282.39	2.357	1	4	4	CC(C)(NS(=O)(=O)c1cccnc1)c1cccs1
365637718	ZINC000336554360	ref	3.91	-9.5	0	292.335	2.187	1	3	3	O=S(=O)(N[C@@H]1CCc2ccccc21)c1cncc(F)c1
199273090	ZINC000294964831	high	1.86	-5.42	0	273.323	1.745	2	3	8	C[C@@H](CN(CCO)CCCO)c1cc(F)cc(F)c1
365637725	ZINC000336554360	high	3.71	-39.79	-1	292.335	2.187	0	3	3	O=S(=O)([N-][C@@H]1CCc2ccccc21)c1cncc(F)c1
365637732	ZINC000336554909	ref	7.28	-40.4	1	260.381	2.235	1	2	3	c1ccc(N2CCC[N@@H+](C[C@H]3CCOC3)CC2)cc1
365637739	ZINC000336554909	mid	7.16	-39.33	1	260.381	2.235	1	2	3	c1ccc(N2CCC[N@H+](C[C@H]3CCOC3)CC2)cc1
222608533	ZINC000291776496	ref	4.53	-13.2	0	320.418	2.789	2	5	4	CCn1cc(NC(=O)N[C@@H](C)[C@@H]2OCCc3sccc32)cn1
222608537	ZINC000291774982	ref	7.88	-17.89	0	324.384	3.19	1	4	5	CC[C@H](c1cccc(OC)c1)N(C)C(=O)c1ccnc2[nH]cnc12
349535086	ZINC000258910351	ref	8.56	-46.39	1	214.312	2.431	1	1	5	Cc1cccc(CC[NH2+]CC2(C#N)CC2)c1
342079647	ZINC000625312535	high	1.99	-5.5	0	284.425	1.844	2	5	7	C[C@@H](CN(C)C[C@H](O)CC1(O)CCC1)c1nccs1
342079648	ZINC000625307398	ref	4.53	-39.22	1	271.401	1.977	1	3	7	CC[C@H]([NH2+]CCOC1CCOCC1)C1CCOCC1
342079649	ZINC000625307916	ref	7.87	-13.73	0	280.372	1.388	0	5	6	CCC[C@H](OCC)C(=O)N1CCn2c(CC)nnc2C1
214186986	ZINC000337626483	ref	8.18	-17.58	0	273.384	2.365	1	4	3	C[C@H]1CCCC[C@@H]1CCN=c1ncnc2[nH]n(C)cc1-2
222608541	ZINC000291776482	ref	9.31	-45.02	1	314.429	3.486	1	2	6	CCc1oc2ccccc2c1CN(C)C(=O)CC[C@H]1CCC[NH2+]1
342079650	ZINC000625307788	ref	9.83	-41.28	1	278.4	1.789	1	4	8	CCO[C@H](C[N@H+](C)Cc1cnc(N(C)C)nc1)C1CC1
342079651	ZINC000625307788	mid	9.93	-42.04	1	278.4	1.789	1	4	8	CCO[C@H](C[N@@H+](C)Cc1cnc(N(C)C)nc1)C1CC1
342079652	ZINC000625307788	mid	8.37	-5.88	0	278.4	1.789	0	5	8	CCO[C@H](CN(C)Cc1cnc(N(C)C)nc1)C1CC1
342079653	ZINC000625312404	ref	5.86	-37.15	1	253.386	1.94	3	2	6	C[N@@H+](C[C@@H]1CC=CCC1)C[C@H](O)CC1(O)CCC1
282122920	ZINC000248971990	ref	2.8	-14.58	0	311.403	1.779	1	4	4	COc1cccc2c1CC[C@@H]2NS(=O)(=O)[C@@H]1CCO[C@H]1C
282122924	ZINC000248972827	ref	2.51	-14.94	0	313.419	1.762	1	4	5	C[C@@H]1OCC[C@H]1S(=O)(=O)N(C)[C@H](C)Cc1ccc(O)cc1
299072256	ZINC000158738715	ref	6.29	-11.73	0	347.459	2.366	2	3	5	C[C@H](NC(=O)N(C)[C@@H](C)Cc1ccc(O)cc1)C(=O)N1CCCCC1
299072267	ZINC000247462991	ref	3.93	-20.84	0	276.402	1.248	1	3	5	C[C@H](NC(=O)N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1CC1
342079654	ZINC000625312404	mid	5.87	-36.99	1	253.386	1.94	3	2	6	C[N@H+](C[C@@H]1CC=CCC1)C[C@H](O)CC1(O)CCC1
342079655	ZINC000046602890	ref	6.17	-46.15	1	253.346	1.263	3	2	8	C=CCNC(=O)NC(=O)C[N@@H+](CCCC)C1CC1
342079656	ZINC000046602890	mid	6.26	-45.31	1	253.346	1.263	3	2	8	C=CCNC(=O)NC(=O)C[N@H+](CCCC)C1CC1
299072278	ZINC000083189536	ref	4.38	-23.0	0	339.461	1.603	1	3	5	C[C@H](NC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1)C(=O)N(C)C
342079657	ZINC000046602890	high	4.15	-16.79	0	253.346	1.263	2	3	8	C=CCNC(=O)NC(=O)CN(CCCC)C1CC1
342079658	ZINC000046601011	ref	2.08	-9.02	0	294.273	1.407	1	4	8	COCCN(CC(=O)NCC(F)(F)F)Cc1ccco1
398245510	ZINC000649443746	ref	5.51	-48.08	1	249.697	2.292	1	2	1	O=C1COc2c1cc(Cl)cc2C1=CC[NH2+]CC1
230731601	ZINC000425467995	mid	8.2	-37.19	1	305.418	2.428	2	3	6	COC(=O)[C@H](CC[N@H+]1CCC[C@H](CO)CC1)c1ccccc1
342596469	ZINC000616972132	ref	4.2	-19.99	0	268.316	1.767	2	2	2	Cc1ccc(C(=O)N[C@H]2CCNC2=O)c2ccccc12
342596470	ZINC000616971489	ref	4.58	-18.39	0	272.348	1.113	2	2	3	O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CCNC1=O
342596471	ZINC000616971443	ref	3.07	-18.64	0	284.768	1.437	2	3	4	O=C(CSc1ccc(Cl)cc1)N[C@@H]1CCNC1=O
349535089	ZINC000621243070	mid	2.99	-4.51	0	295.814	2.032	0	4	4	Clc1cncc(CN2CCN(C[C@@H]3CCCO3)CC2)c1
230731604	ZINC000425467939	ref	5.82	-13.77	0	317.433	2.225	3	2	9	CC1(CNC(=O)NCCNC(=O)CCCc2ccccc2)CC1
365637624	ZINC000274365458	mid	6.33	-47.22	1	263.345	1.425	2	3	2	CC(C)[N@H+]1CCCN(C(=O)Nc2cncnc2)CC1
230731610	ZINC000425468133	ref	4.03	-20.73	0	318.483	2.471	2	3	10	CS(=O)(=O)CCCCNC(=O)NCCCCC1CCCC1
282122921	ZINC000423749227	ref	4.74	-98.02	2	283.416	0.683	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CCO1
342600556	ZINC000590851603	ref	4.01	-19.34	0	297.261	1.969	1	4	3	COc1c(F)cc(NC(=O)N2CC(C#N)C2)c(OC)c1F
342600557	ZINC000401680489	ref	2.92	-6.05	0	273.373	1.192	1	5	7	CCC[C@@H](C(=O)OCC)N1CCC[C@@](CO)(OC)C1
282122929	ZINC000423749227	high	2.29	-56.24	1	283.416	0.683	1	3	4	CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CCO1
342600558	ZINC000401680489	mid	4.85	-32.31	1	273.373	1.192	2	4	7	CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@@](CO)(OC)C1
282122935	ZINC000152085634	ref	8.35	-37.49	1	296.455	2.382	1	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCO1
342600559	ZINC000401680489	mid	4.67	-37.88	1	273.373	1.192	2	4	7	CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@@](CO)(OC)C1
199273092	ZINC000294964755	ref	5.24	-15.13	0	292.379	1.277	2	3	9	CNC(=O)CCCNC(=O)[C@H](C)OCCc1ccccc1
282122950	ZINC000152085634	high	5.79	-7.78	0	296.455	2.382	0	3	4	CN(C)C[C@@H]1CN(C(=O)CC2CCC(C)(C)CC2)CCO1
342600560	ZINC000616999782	ref	6.45	-40.18	1	278.4	1.579	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]cn2)C1
282122955	ZINC000371651316	ref	4.71	-39.51	1	298.305	0.744	1	3	6	C[NH+](C)C[C@@H]1CN(C(=O)CCOCC(F)(F)F)CCO1
282122958	ZINC000371651316	high	2.15	-8.58	0	298.305	0.744	0	4	6	CN(C)C[C@@H]1CN(C(=O)CCOCC(F)(F)F)CCO1
282122959	ZINC000330790136	ref	7.83	-40.18	1	340.493	1.519	1	5	5	C[NH+](C)C[C@@H]1CN(C(=O)CSc2nccn2C(C)(C)C)CCO1
222608549	ZINC000283718679	ref	4.69	-9.04	0	312.41	1.951	1	4	5	C=CCN(C)C(=O)[C@H](NC(=O)OC(C)(C)C)C1CCOCC1
178303044	ZINC000000155471	ref	5.83	-12.59	0	210.24	2.1	0	4	1	Cc1cc2nccc(-c3cccnc3)n2n1
398245512	ZINC000649443746	mid	4.69	-75.19	0	249.697	2.292	1	2	1	[O-]c1coc2c(C3=CC[NH2+]CC3)cc(Cl)cc12
342079659	ZINC000046601011	low	4.17	-39.94	1	294.273	1.407	2	3	8	COCC[N@H+](CC(=O)NCC(F)(F)F)Cc1ccco1
222608564	ZINC000283695092	ref	7.91	-14.44	0	305.29	1.787	1	5	4	C#CCN(C)C(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C
178303048	ZINC000070249171	ref	4.79	-9.64	0	246.314	1.874	1	4	1	Cc1cc2ncc(C(=O)NC(C)(C)C)c(C)n2n1
282122926	ZINC000174521311	ref	2.4	-17.72	0	279.344	-0.652	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CN(C)CCO1)CC2
178303052	ZINC000090568245	ref	5.6	-29.8	-1	229.195	2.029	0	4	1	Cc1cc2[n-]cc(C#N)c(=O)c2cc1[N+](=O)[O-]
178303055	ZINC000090568245	low	6.03	-27.67	0	229.195	2.029	1	4	1	Cc1cc2[nH]cc(C#N)c(=O)c2cc1[N+](=O)[O-]
136229272	ZINC000184919643	ref	5.87	-7.39	0	232.327	2.861	1	2	5	C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cccnc1
178303058	ZINC000000257983	ref	7.75	-8.54	0	234.302	3.914	0	2	1	Cc1cc2ncc(-c3ccccc3)nc2cc1C
136229273	ZINC000292826063	ref	10.03	-9.05	0	238.335	2.05	0	5	6	C=C(C)Cn1c(CC(C)C)nnc1N(C)OC
222608579	ZINC000283703461	ref	10.29	-13.52	0	317.437	1.905	1	5	6	C=C(C)Cn1c(C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1
178303062	ZINC000051847920	ref	-0.3	-41.97	1	205.261	1.172	3	2	2	Cc1cc2nc([C@H]([NH3+])CO)[nH]c2cc1C
136229274	ZINC000184919698	ref	5.78	-7.5	0	232.327	2.861	1	2	5	C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cccnc1
136229275	ZINC000292803835	ref	4.12	-8.04	0	202.685	1.933	1	1	3	C=C(Cl)CNC(=O)N1CC[C@@H]1CC
178303064	ZINC000051847920	mid	-0.68	-7.82	0	205.261	1.172	3	3	2	Cc1cc2nc([C@H](N)CO)[nH]c2cc1C
222608585	ZINC000283721431	ref	4.34	-8.84	0	308.721	1.141	1	4	2	C#CCN(C)C(=O)C(=O)Nc1cc2c(cc1Cl)OCCO2
259308359	ZINC000322975718	ref	6.9	-38.8	1	221.344	2.9	1	1	6	CC[C@](C)(C[NH2+]Cc1cccc(C)c1)OC
342079660	ZINC000046601011	low	4.19	-40.65	1	294.273	1.407	2	3	8	COCC[N@@H+](CC(=O)NCC(F)(F)F)Cc1ccco1
342079661	ZINC000625307623	ref	1.45	-8.65	0	280.372	1.815	1	5	9	CCCCCN(CC(N)=O)Cc1noc(C2CCC2)n1
342079662	ZINC000625312536	ref	2.87	-37.23	1	284.425	1.844	3	4	7	C[C@@H](C[N@H+](C)C[C@@H](O)CC1(O)CCC1)c1nccs1
342079663	ZINC000625312536	mid	3.17	-35.94	1	284.425	1.844	3	4	7	C[C@@H](C[N@@H+](C)C[C@@H](O)CC1(O)CCC1)c1nccs1
136229276	ZINC000232465776	ref	5.46	-38.06	1	216.328	2.016	2	1	3	c1ccc2c(c1)CC[C@H]2NC[C@H]1CCC[NH2+]1
365637627	ZINC000274365458	high	4.65	-9.29	0	263.345	1.425	1	4	2	CC(C)N1CCCN(C(=O)Nc2cncnc2)CC1
222608566	ZINC000291776916	ref	8.69	-12.12	0	317.458	3.434	1	5	4	Cc1ccc(-c2nnc(SC[C@@H]3CCC[C@H](O)C3)n2C)cc1
342079664	ZINC000625312536	high	1.14	-6.39	0	284.425	1.844	2	5	7	C[C@@H](CN(C)C[C@@H](O)CC1(O)CCC1)c1nccs1
343994040	ZINC000079917701	ref	10.52	-99.29	2	288.439	2.008	4	0	7	CCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCc1ccccc1
282122928	ZINC000248972788	ref	1.84	-14.36	0	314.426	1.955	3	4	4	C[C@H](NC(=O)OC(C)(C)C)[C@H](C)C(=O)N[C@@H]1CC[C@@H](O)CC1
222608592	ZINC000291775318	ref	6.35	-19.34	0	310.306	1.094	1	7	4	COC(=O)c1cc([N+](=O)[O-])c(=O)n(C[C@@H]2CCC[C@@H](O)C2)c1
222608609	ZINC000291776665	ref	5.55	-12.13	0	310.35	1.415	0	6	5	CCOC(=O)[C@@]1(COC)CCCN(C(=O)c2ncc(C)o2)C1
282952271	ZINC000418473596	ref	1.68	-39.35	1	257.378	1.371	3	2	6	CCCC[C@H](C[NH3+])NC(=O)N[C@@]1(C)CCO[C@H]1C
342079665	ZINC000625308690	ref	2.44	-11.23	0	282.359	1.611	3	3	6	CC(C)(C)CNC(=O)CN[C@H](CO)c1ccc(F)cc1
342079666	ZINC000625308690	mid	3.63	-48.57	1	282.359	1.611	3	2	6	CC(C)(C)CNC(=O)C[NH2+][C@H](CO)c1ccc(F)cc1
342079667	ZINC000625307786	ref	10.15	-42.47	1	278.4	1.789	1	4	8	CCO[C@@H](C[N@H+](C)Cc1cnc(N(C)C)nc1)C1CC1
342079668	ZINC000625307786	mid	10.06	-41.79	1	278.4	1.789	1	4	8	CCO[C@@H](C[N@@H+](C)Cc1cnc(N(C)C)nc1)C1CC1
342079669	ZINC000625307786	mid	7.69	-6.25	0	278.4	1.789	0	5	8	CCO[C@@H](CN(C)Cc1cnc(N(C)C)nc1)C1CC1
342079670	ZINC000625307573	ref	-0.16	-5.98	0	279.384	1.714	1	5	3	COc1cncc(CN2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1
342079671	ZINC000625307573	mid	2.34	-42.4	1	279.384	1.714	2	4	3	COc1cncc(C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1
342079672	ZINC000625307573	mid	2.85	-42.49	1	279.384	1.714	2	4	3	COc1cncc(C[N@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)n1
342079673	ZINC000625307578	ref	0.65	-5.98	0	279.384	1.714	1	5	3	COc1cncc(CN2CC[C@H](C(C)(C)C)[C@H](O)C2)n1
342079674	ZINC000625307578	mid	2.21	-39.44	1	279.384	1.714	2	4	3	COc1cncc(C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)n1
342079675	ZINC000625307578	mid	2.99	-42.33	1	279.384	1.714	2	4	3	COc1cncc(C[N@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)n1
342079676	ZINC000625312533	ref	2.81	-35.22	1	284.425	1.844	3	4	7	C[C@H](C[N@H+](C)C[C@@H](O)CC1(O)CCC1)c1nccs1
342079677	ZINC000625312533	mid	2.88	-39.33	1	284.425	1.844	3	4	7	C[C@H](C[N@@H+](C)C[C@@H](O)CC1(O)CCC1)c1nccs1
214186989	ZINC000337627271	ref	1.57	-13.87	0	287.385	0.992	2	5	8	CCN(CCOCCO)C(=O)NCc1scnc1C
214186993	ZINC000337624682	ref	4.66	-8.92	0	278.352	2.441	2	4	8	COC[C@@H](C)Nc1ccccc1NC(=O)CCC(C)=O
214186995	ZINC000337624929	ref	7.75	-6.03	0	287.403	3.314	1	2	4	C[C@@]1(NC(=O)CC[C@H]2CCCO2)CCCc2ccccc21
214186999	ZINC000337626334	ref	0.83	-14.64	0	288.388	-0.044	1	5	10	CN(CCOCCO)C(=O)CCCCN1CCOCC1
342079678	ZINC000625312533	high	0.87	-7.13	0	284.425	1.844	2	5	7	C[C@H](CN(C)C[C@@H](O)CC1(O)CCC1)c1nccs1
214187001	ZINC000337626334	mid	3.25	-46.52	1	288.388	-0.044	2	4	10	CN(CCOCCO)C(=O)CCCC[NH+]1CCOCC1
214187003	ZINC000337625290	ref	6.63	-43.68	1	284.444	2.116	2	2	7	CCCC[C@@H](C)C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1
214187005	ZINC000337625290	mid	6.32	-44.58	1	284.444	2.116	2	2	7	CCCC[C@@H](C)C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1
365637632	ZINC000123350772	high	3.79	-6.05	0	279.771	2.248	2	4	6	C[C@H](Cn1cccn1)N[C@H](CO)c1ccc(Cl)cc1
214187008	ZINC000337627739	ref	5.04	-11.74	0	271.401	2.06	1	3	7	CN(CCOCCO)C(=O)C[C@@H]1CCCC(C)(C)C1
214187011	ZINC000337625077	ref	1.52	-9.8	0	289.426	2.171	2	5	4	CC[C@@H]1CCCC[C@H]1Nc1ncc(S(N)(=O)=O)s1
214187014	ZINC000337624379	ref	3.13	-9.8	0	272.337	0.979	2	6	3	CN=c1[nH]c(CNc2ncnc3ccncc23)cs1
365637644	ZINC000123392041	ref	7.54	-38.29	1	299.484	2.302	3	2	5	C[C@@H]1CCC[N@@H+](C[C@@H](C)NC(=O)NC[C@@H]2CCCS2)C1
214187017	ZINC000337624715	ref	6.4	-9.9	0	262.353	2.179	1	2	4	CCc1ccc(CN(C)C(=O)N[C@@H]2CCOC2)cc1
214187020	ZINC000337627984	ref	2.24	-18.12	0	296.371	0.365	2	3	2	O=C(N[C@@H]1CCOC1)N1CCC(N2CCCNC2=O)CC1
214187022	ZINC000337625411	ref	5.53	-14.11	0	298.77	2.149	1	3	5	CN(CCOc1ccccc1Cl)C(=O)N[C@@H]1CCOC1
342079679	ZINC000608867475	ref	4.87	-12.22	0	251.351	1.682	1	3	2	CSCC(=O)N1CCc2ccc(O)cc2CC1
214187025	ZINC000337627465	ref	6.63	-8.34	0	273.38	2.412	2	3	7	CC(C)=CCCNC(=O)c1ccc(NCC2CC2)nc1
214187027	ZINC000337625335	ref	5.0	-15.48	0	267.292	2.168	2	4	3	CCc1cccnc1NC(=O)c1ccc2n[nH]nc2c1
342079680	ZINC000625307806	ref	4.12	-9.7	0	264.295	1.924	1	4	4	Cn1cc(CCN[C@@H](C(C)(C)C)C(F)(F)F)nn1
342079681	ZINC000625312083	ref	3.03	-35.4	1	271.401	1.135	4	3	6	C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCC[C@H]1O
342079682	ZINC000625312083	mid	2.84	-35.62	1	271.401	1.135	4	3	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCCC[C@H]1O
342088388	ZINC000121501735	low	8.47	-39.79	1	269.414	1.856	1	3	7	CCS[C@H](C(=O)NCCc1c[nH+]cn1C)C(C)C
214187004	ZINC000278488567	ref	5.88	-16.55	0	324.306	2.843	1	3	2	O=C(c1ccncc1)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
185089075	ZINC000096076201	high	5.39	-10.2	0	291.395	1.21	0	4	1	CN1CCOC[C@@]2(CCCN(C(=O)c3cccn3C)C2)C1
230731629	ZINC000414308814	ref	5.86	-42.7	1	308.422	3.326	2	3	6	Cc1nc(C)c([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)s1
185089077	ZINC000096076024	ref	3.4	-33.94	1	281.425	1.748	1	4	5	COCC[N@@H+]1CC[C@]2(CCN2Cc2csc(C)n2)C1
185089078	ZINC000096076024	mid	3.16	-34.22	1	281.425	1.748	1	4	5	COCC[N@H+]1CC[C@]2(CCN2Cc2csc(C)n2)C1
342079683	ZINC000625312632	ref	5.46	-48.91	1	276.388	1.468	1	5	5	Cn1cc([C@H]([NH2+]CCc2cn(C)nn2)C(C)(C)C)cn1
230731632	ZINC000414308814	high	4.11	-7.7	0	308.422	3.326	2	4	6	Cc1nc(C)c([C@@H](C)NC[C@H](CO)c2ccc(F)cc2)s1
365637637	ZINC000274366313	ref	4.75	-13.1	0	264.285	1.036	1	5	3	COC(=O)C[C@H]1CCCN1C(=O)Nc1cncnc1
342079684	ZINC000625312632	high	4.54	-14.36	0	276.388	1.468	1	6	5	Cn1cc([C@H](NCCc2cn(C)nn2)C(C)(C)C)cn1
282122930	ZINC000174521311	mid	4.66	-50.9	1	279.344	-0.652	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)CC2
365637642	ZINC000274366419	ref	4.97	-11.73	0	277.353	1.948	1	5	4	Cc1cnc(CCN(C)C(=O)Nc2cncnc2)s1
365637647	ZINC000274365510	ref	3.85	-8.58	0	267.304	1.495	0	4	3	CCOC(=O)N1CCN(Cc2cncc(F)c2)CC1
282122933	ZINC000174521311	mid	4.82	-58.59	1	279.344	-0.652	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)CC2
365637655	ZINC000274366389	ref	4.16	-5.97	0	276.34	1.454	1	4	2	CCC1(C)CCN(C(=O)C(=O)Nc2cncnc2)CC1
282122940	ZINC000263858110	ref	7.33	-20.11	0	332.791	1.675	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1Cc3cc(Cl)ccc3O1)CC2
282122948	ZINC000362555717	ref	6.14	-18.31	0	332.791	1.847	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1COc3ccc(Cl)cc31)CC2
349535090	ZINC000258910351	high	7.19	-6.35	0	214.312	2.431	1	2	5	Cc1cccc(CCNCC2(C#N)CC2)c1
365637665	ZINC000274364985	ref	4.97	-10.46	0	282.292	1.624	0	6	6	COC(=O)c1ccc(OCCC2OCCO2)c(OC)c1
197594026	ZINC000290095132	ref	7.24	-7.33	0	267.394	2.625	0	3	3	Cc1ccc(CCC(=O)N2C[C@H](C)O[C@H](C)C2)s1
365637670	ZINC000274364405	ref	1.75	-56.83	1	289.335	1.59	3	4	7	C[C@@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(C(N)=O)no1
342079685	ZINC000625312741	ref	9.5	-38.51	1	282.343	1.794	1	2	4	C=C(C)C[N@H+](C)CC#CCN1C(=O)c2ccccc2C1=O
342079686	ZINC000625312741	mid	9.49	-38.21	1	282.343	1.794	1	2	4	C=C(C)C[N@@H+](C)CC#CCN1C(=O)c2ccccc2C1=O
365637639	ZINC000623070592	ref	4.4	-53.98	1	314.393	1.914	2	4	3	Cc1cccc(NC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1
342079687	ZINC000625312741	mid	7.02	-10.73	0	282.343	1.794	0	3	4	C=C(C)CN(C)CC#CCN1C(=O)c2ccccc2C1=O
365637646	ZINC000623070592	high	3.99	-15.74	0	314.393	1.914	2	5	3	Cc1cccc(NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)c1
365637657	ZINC000623070292	ref	4.57	-54.46	1	314.393	1.914	2	4	3	Cc1ccccc1NC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1
365637667	ZINC000623070292	high	4.17	-16.09	0	314.393	1.914	2	5	3	Cc1ccccc1NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1
365637675	ZINC000623070192	ref	3.61	-54.45	1	320.422	1.976	2	5	3	Cc1ccc(NC(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)s1
365637682	ZINC000623070192	high	3.21	-15.74	0	320.422	1.976	2	6	3	Cc1ccc(NC(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)s1
365637691	ZINC000623070020	ref	4.65	-92.83	2	306.41	1.248	4	2	5	C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1
365637697	ZINC000623070020	high	2.16	-48.79	1	306.41	1.248	3	3	5	CN(C)Cc1cccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1
365637704	ZINC000623070497	ref	0.45	-54.83	1	304.35	1.209	4	3	6	C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365637711	ZINC000623070497	high	-1.36	-81.72	0	304.35	1.209	3	3	6	C[C@@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365637716	ZINC000623070463	ref	4.96	-49.16	1	318.402	1.891	2	4	1	O=C(Nc1nc2ccccc2s1)N1CC[C@H]2OCC[NH2+][C@H]2C1
365637720	ZINC000623070463	mid	3.67	-15.06	0	318.402	1.891	2	5	1	O=C(Nc1nc2ccccc2s1)N1CC[C@H]2OCCN[C@H]2C1
178305434	ZINC000043514779	low	6.89	-30.76	1	233.34	2.5	1	2	2	Cc1cc2[nH+]cn([C@@H](C)C(N)=S)c2cc1C
365637730	ZINC000623070551	ref	3.25	-47.26	1	319.361	1.052	2	4	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@@H]2OCC[NH2+][C@H]2C1
365637737	ZINC000623070551	mid	1.95	-11.49	0	319.361	1.052	2	5	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@@H]2OCCN[C@H]2C1
230731670	ZINC000450413946	ref	4.61	-9.5	0	300.284	1.24	3	5	4	CNc1nc(NC[C@](C)(O)C(F)(F)F)nc2ccccc12
230731673	ZINC000450413946	low	4.97	-27.53	1	300.284	1.24	3	4	4	CNc1nc(NC[C@](C)(O)C(F)(F)F)[nH+]c2ccccc12
365637744	ZINC000623070740	ref	7.86	-49.76	1	305.426	1.674	1	4	7	Cn1nc(C2CC2)nc1C(=O)N(CCC[NH3+])CC1CCCC1
342079688	ZINC000625317361	ref	6.37	-38.94	1	289.383	1.312	1	4	3	C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079689	ZINC000625317361	mid	7.25	-33.7	1	289.383	1.312	1	4	3	C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cn(C2CC2)nn1
299072257	ZINC000354602354	ref	-0.95	-28.91	0	328.413	0.0	4	4	9	CCCC[C@H](NC(N)=O)C(=O)N[C@H](CC(N)=O)C1CCOCC1
342079690	ZINC000625317361	high	3.92	-8.35	0	289.383	1.312	0	5	3	CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cn(C2CC2)nn1
342079691	ZINC000625312697	ref	1.5	-9.31	0	261.35	1.712	2	4	4	Cc1ccc2sc(CNC3(C(N)=O)CC3)nc2c1
299072260	ZINC000354603491	ref	2.72	-48.42	-1	328.346	0.998	1	6	4	O=C(NC[C@H]1CCCCS1(=O)=O)c1cc([O-])ccc1[N+](=O)[O-]
343994041	ZINC000079917701	mid	9.74	-96.36	2	288.439	2.008	4	0	7	CCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCc1ccccc1
361823534	ZINC000035973036	ref	5.62	-10.16	0	261.3	2.395	2	1	1	CCNC(=O)N1CCc2[nH]c3ccc(F)cc3c2C1
282122931	ZINC000248972106	ref	1.09	-39.57	1	317.813	1.143	4	4	9	C[C@H](O)C[N@H+](C[C@@H](O)COc1ccccc1Cl)[C@@H](C)CO
361823546	ZINC000035800917	ref	6.95	-42.94	1	296.436	2.02	0	3	4	CCCN1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
342079692	ZINC000625312697	low	2.72	-43.43	1	261.35	1.712	2	3	4	Cc1ccc2sc(C[NH2+]C3(C(N)=O)CC3)nc2c1
214187006	ZINC000278488567	mid	5.8	-12.25	0	324.306	2.843	1	3	2	O=C(c1ccncc1)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
214187009	ZINC000278488913	ref	3.06	-11.04	0	308.078	2.059	1	3	3	O=C(NCc1cc(Br)c2c(c1)OCO2)C(F)F
282122936	ZINC000248972106	mid	1.19	-38.58	1	317.813	1.143	4	4	9	C[C@H](O)C[N@@H+](C[C@@H](O)COc1ccccc1Cl)[C@@H](C)CO
214187010	ZINC000278488913	high	1.44	-36.1	-1	308.078	2.059	0	3	3	O=C([N-]Cc1cc(Br)c2c(c1)OCO2)C(F)F
214187013	ZINC000278487334	ref	-0.54	-50.36	-1	323.374	2.148	0	6	5	CCCc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)o1
214187016	ZINC000278487334	low	0.38	-12.39	0	323.374	2.148	1	6	5	CCCc1nnc(NS(=O)(=O)c2ccc3c(c2)CCCO3)o1
342079693	ZINC000625307527	ref	4.27	-13.93	0	286.339	1.02	1	6	4	CNc1cnc(C(=O)N2CCC[C@H]2Cn2cccn2)cn1
342079694	ZINC000625308922	ref	0.83	-8.2	0	262.288	1.87	1	5	5	COc1cncc(CN[C@@H](C)c2cncc(F)c2)n1
342079695	ZINC000625308922	low	1.93	-51.1	1	262.288	1.87	1	4	5	COc1cncc(C[NH2+][C@@H](C)c2cncc(F)c2)n1
342079696	ZINC000625307193	ref	7.58	-13.87	0	280.372	1.244	0	5	5	CCO[C@@H](C(=O)N1CCn2c(CC)nnc2C1)C(C)C
342079697	ZINC000625312042	ref	3.25	-10.4	0	278.343	1.852	1	3	5	CC(C)(C)CNC(=O)CN1CCC[C@H](OC(F)F)C1
342079698	ZINC000625312042	low	5.4	-39.35	1	278.343	1.852	2	2	5	CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@H](OC(F)F)C1
178303066	ZINC000041702322	ref	4.6	-6.1	0	206.676	3.087	1	2	0	Cc1cc2ncc(Cl)c(N)c2cc1C
178303069	ZINC000041702322	mid	5.02	-26.34	1	206.676	3.087	1	1	0	Cc1cc2[nH+]cc(Cl)c(N)c2cc1C
349535091	ZINC000093261325	ref	3.11	-8.82	0	251.286	0.515	1	4	5	CCOCCN(C)C(=O)C(=O)Nc1cccnc1
398245514	ZINC000650858119	ref	2.11	-10.76	0	299.396	1.304	2	5	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@H](C)c1csc(C)n1
349535097	ZINC000093282476	ref	4.15	-35.61	1	273.373	0.905	2	4	6	COC[C@@H](O)C[N@@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1
349535100	ZINC000093282476	mid	3.69	-36.16	1	273.373	0.905	2	4	6	COC[C@@H](O)C[N@H+]1CCC[C@H](C(C)(C)C(=O)OC)C1
222608600	ZINC000170625322	ref	4.11	-18.07	0	362.861	1.621	2	4	5	CC1(C)C(=O)NCCN1CC(=O)NCCn1ccc2c(Cl)cccc21
299072259	ZINC000567660657	ref	3.44	-10.09	0	294.323	2.436	0	6	8	FC(F)c1noc(CSCCOC[C@H]2CCCO2)n1
398245516	ZINC000650857680	ref	1.6	-14.07	0	257.24	1.615	1	3	2	O=C(NCc1cocn1)N1CC[C@@]2(C1)CC2(F)F
342079699	ZINC000625312042	low	5.58	-39.6	1	278.343	1.852	2	2	5	CC(C)(C)CNC(=O)C[N@H+]1CCC[C@H](OC(F)F)C1
398245520	ZINC000650857556	ref	5.38	-15.7	0	267.369	1.731	1	3	6	C=CCCOCC(=O)N1CCC[C@@H]1[C@H]1CCC[C@@H]1O
398245523	ZINC000650857668	ref	1.76	-11.37	0	267.329	1.774	1	4	4	CC(C)O[C@H]1CCCN(C(=O)NCc2cocn2)C1
342079700	ZINC000625308753	ref	6.22	-22.31	0	298.431	1.961	1	2	3	CC(C)N(C)C(=O)N[C@@H]1CCCN(C(=O)N(C)C(C)C)C1
214187021	ZINC000278488901	ref	3.29	-19.17	0	311.388	1.327	1	7	6	COC(=O)CSCCNC(=O)c1nc2cccnc2s1
398245525	ZINC000650858409	ref	2.36	-8.82	0	271.386	1.925	2	4	5	Cc1nc([C@@H](C)NC(=O)N(C)[C@H](C)CCO)cs1
214187023	ZINC000278486997	ref	8.48	-20.36	0	321.406	2.019	1	7	6	Cc1noc(C)c1CSCC(=O)Nc1cc(N(C)C)ncn1
199273093	ZINC000181262442	low	9.58	-44.76	1	302.422	3.091	1	4	8	CCOc1ccccc1[C@H](CC(C)C)[NH2+]Cc1ncnn1C
199273352	ZINC000294964292	ref	6.81	-53.08	1	296.292	3.056	1	2	6	C[C@H](C[NH2+]Cc1cc(F)ncc1F)Oc1ccc(F)cc1
178303077	ZINC000000331428	ref	2.58	-10.65	0	235.312	1.757	2	3	3	Cc1cc2nc(SCC(N)=O)[nH]c2cc1C
342079701	ZINC000625313217	ref	5.42	-36.32	1	257.374	1.683	1	3	5	CO[C@@H]1CCC[N@H+](CCOC2CCOCC2)CC1
342079702	ZINC000625313217	mid	5.72	-35.52	1	257.374	1.683	1	3	5	CO[C@@H]1CCC[N@@H+](CCOC2CCOCC2)CC1
342079703	ZINC000625312388	ref	1.82	-7.06	0	282.306	1.1	1	3	4	C[C@@H](O)CN1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
342079704	ZINC000625312388	mid	4.17	-41.3	1	282.306	1.1	2	2	4	C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
342596472	ZINC000616972233	ref	3.73	-17.75	0	260.337	1.602	2	2	2	CC(C)(C)c1ccc(C(=O)N[C@H]2CCNC2=O)cc1
342596473	ZINC000616972554	ref	4.59	-18.29	0	272.348	1.962	2	2	3	O=C(N[C@H]1CCNC1=O)c1cccc(C2CCCC2)c1
342596474	ZINC000616972448	ref	3.87	-18.27	0	258.321	1.185	2	2	3	C[C@]1(C(=O)N[C@H]2CCNC2=O)C[C@@H]1c1ccccc1
342596475	ZINC000590781756	ref	6.79	-11.04	0	298.346	1.601	1	4	2	Cc1nc(NC(=O)C(=O)N2CCC[C@@H]2C2CC2)ccc1C#N
342596476	ZINC000616972650	ref	2.42	-17.29	0	272.226	1.324	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1
342596477	ZINC000616972838	ref	2.38	-18.24	0	273.119	1.612	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Cl)c(Cl)c1
342596478	ZINC000616972808	ref	1.22	-17.81	0	288.225	1.203	2	3	3	O=C(N[C@@H]1CCNC1=O)c1ccc(OC(F)(F)F)cc1
342596479	ZINC000616972649	ref	2.42	-17.28	0	272.226	1.324	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1
342596480	ZINC000616972447	ref	3.87	-17.33	0	258.321	1.185	2	2	3	C[C@]1(C(=O)N[C@@H]2CCNC2=O)C[C@@H]1c1ccccc1
214187026	ZINC000278488198	ref	7.35	-12.48	0	304.312	3.394	2	2	6	CC[C@H](C)[C@H](NC(=O)NOCc1ccccc1)C(F)(F)F
214187028	ZINC000278487330	ref	7.0	-12.04	0	316.792	3.004	1	3	5	O=C(NCc1cccnn1)N(Cc1ccc(Cl)cc1)C1CC1
214187031	ZINC000278487544	ref	1.97	-44.3	1	306.225	2.142	2	3	5	OCC[C@@]1([NH2+]Cc2csc(Br)c2)CCOC1
214187032	ZINC000278487544	high	0.9	-5.14	0	306.225	2.142	2	4	5	OCC[C@@]1(NCc2csc(Br)c2)CCOC1
342596481	ZINC000616973144	ref	3.4	-16.19	0	252.358	1.453	2	2	2	C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2CCNC2=O)C1(C)C
222608612	ZINC000283693850	ref	6.98	-9.41	0	305.403	1.688	1	4	3	C#CCN(C)C(=O)C(=O)Nc1nc2c(s1)C[C@@H](CC)CC2
342596482	ZINC000616972261	ref	4.27	-15.81	0	274.364	1.568	2	2	5	CC[C@H](Cc1ccccc1C)C(=O)N[C@@H]1CCNC1=O
342596483	ZINC000616972518	ref	3.59	-16.14	0	250.342	1.207	2	2	3	O=C(N[C@@H]1CCNC1=O)C1CCC(C2CC2)CC1
222608621	ZINC000283721050	ref	9.02	-15.79	0	322.364	1.855	0	3	3	CC#CC(=O)N1CC=C(CCN2C(=O)c3ccccc3C2=O)CC1
342596484	ZINC000616972259	ref	4.57	-17.41	0	274.364	1.568	2	2	5	CC[C@@H](Cc1ccccc1C)C(=O)N[C@H]1CCNC1=O
214187035	ZINC000278488802	ref	6.3	-43.77	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C
349535093	ZINC000258905416	ref	7.06	-125.26	2	246.398	2.822	2	0	5	CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1
342596485	ZINC000616972553	ref	3.06	-18.06	0	287.146	1.541	2	2	3	O=C(Cc1ccc(Cl)c(Cl)c1)N[C@@H]1CCNC1=O
342596486	ZINC000616972839	ref	2.38	-18.27	0	273.119	1.612	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(Cl)c(Cl)c1
230731641	ZINC000425469589	ref	5.8	-10.09	0	309.36	2.419	2	2	5	CN(C)[C@@H](CNC(=O)N[C@H]1CC12CC2)c1c(F)cccc1F
230731644	ZINC000425469589	low	7.39	-35.07	1	309.36	2.419	3	1	5	C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC12CC2)c1c(F)cccc1F
197594032	ZINC000290095831	ref	2.53	-56.71	1	283.401	0.38	2	3	5	CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCN1C(=S)N=NC1C
365637650	ZINC000639790167	ref	6.71	-48.21	1	298.39	1.945	2	3	5	CCCNC(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365637660	ZINC000639790167	mid	6.7	-51.84	1	298.39	1.945	2	3	5	CCCNC(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365637666	ZINC000639790167	mid	4.32	-16.62	0	298.39	1.945	1	4	5	CCCNC(=O)CN1CC[C@H](c2ccc3cccnc3n2)C1
365637674	ZINC000354709959	ref	1.98	-49.89	-1	250.308	1.755	1	4	1	O=C(N=c1[n-]ncs1)c1cc2[nH]ccc2s1
185089080	ZINC000096076024	high	1.01	-5.81	0	281.425	1.748	0	5	5	COCCN1CC[C@]2(CCN2Cc2csc(C)n2)C1
365637680	ZINC000354711280	ref	3.23	-33.22	-1	257.359	1.128	0	5	4	COCCc1nc(=N[C@H]2CCO[C@H](C)C2)s[n-]1
197594034	ZINC000290094440	ref	3.31	-7.1	0	277.393	2.88	1	5	5	COc1cncc(CNC(C)(C)c2ncc(C)s2)c1
365637687	ZINC000354711280	low	3.48	-5.99	0	257.359	1.128	1	6	5	COCCc1nsc(N[C@H]2CCO[C@H](C)C2)n1
365637696	ZINC000354711420	ref	4.98	-44.44	1	283.416	1.139	2	2	8	CC[C@H](C)CN(CC)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
197594036	ZINC000290094440	mid	4.49	-39.8	1	277.393	2.88	1	4	5	COc1cncc(C[NH2+]C(C)(C)c2ncc(C)s2)c1
365637706	ZINC000354710073	ref	4.46	-19.76	0	295.404	1.729	1	3	6	C[C@H](CCOc1ccccc1)C(=O)N[C@H]1CC[S@@](=O)C1
365637713	ZINC000354711364	ref	4.29	-14.29	0	293.392	1.391	1	4	6	Cc1ccccc1CS(=O)(=O)NCCc1ccn(C)n1
365637724	ZINC000354711167	ref	1.53	-8.63	0	254.334	1.985	2	4	5	CC[C@H](C)[C@H](C)NC(=O)Nc1cn(C)nc1OC
197594038	ZINC000290095281	ref	6.85	-12.45	0	289.379	3.038	2	3	4	CO[C@H]1CCCC[C@H]1NC(=O)Nc1cc(C2CC2)ccn1
282122934	ZINC000151668180	ref	2.05	-12.74	0	317.389	2.268	2	6	8	COc1cc([C@@H](C)N[C@H](C)c2cnccn2)ccc1OCCO
214187030	ZINC000337625335	low	4.91	-18.57	0	267.292	2.168	2	4	3	CCc1cccnc1NC(=O)c1ccc2[nH]nnc2c1
282122938	ZINC000151668180	mid	2.98	-46.9	1	317.389	2.268	2	5	8	COc1cc([C@@H](C)[NH2+][C@H](C)c2cnccn2)ccc1OCCO
365637735	ZINC000354710919	ref	6.97	-9.73	0	290.363	1.947	1	4	7	C/C=C/C[C@H](NC(=O)Cc1cccnc1C)C(=O)OCC
214187033	ZINC000337625335	high	4.99	-47.67	-1	267.292	2.168	1	4	3	CCc1cccnc1NC(=O)c1ccc2n[n-]nc2c1
214187034	ZINC000337626639	ref	4.75	-17.14	0	295.289	2.453	2	3	4	O=C(N[C@H]1CCC[C@@H]1OC(F)F)c1ccc2[nH]cnc2c1
214187037	ZINC000337626446	ref	1.11	-18.09	0	276.287	0.724	1	4	6	CCN(CC)CC(=O)N=c1cc(OC(F)F)n(C)[nH]1
282122937	ZINC000137658542	ref	8.65	-49.1	-1	266.345	1.845	1	6	7	CCC(CC)(CNc1ccnc(N(C)C)n1)C(=O)[O-]
214187040	ZINC000337626446	low	3.16	-33.0	1	276.287	0.724	2	3	6	CC[NH+](CC)CC(=O)N=c1cc(OC(F)F)n(C)[nH]1
342079705	ZINC000625307826	ref	7.23	-12.62	0	290.289	1.771	0	4	3	CCc1nnc2n1CCN(C(=O)C[C@@H](C)C(F)(F)F)C2
342079706	ZINC000625312979	ref	3.78	-11.12	0	290.323	1.665	0	6	3	COc1nc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)co1
214187042	ZINC000337626446	high	1.22	-50.9	-1	276.287	0.724	0	4	6	CCN(CC)CC(=O)N=c1cc(OC(F)F)n(C)[n-]1
214187044	ZINC000337627733	ref	3.57	-9.96	0	270.279	2.114	2	2	3	C[C@@H](NC(=O)N[C@@H]1CCOC1)c1c(F)cccc1F
214187048	ZINC000337624573	ref	2.56	-22.25	0	293.323	0.209	2	5	7	CN(CCOCCO)C(=O)Cn1c(=O)[nH]c2ccccc21
214187050	ZINC000337626542	ref	1.66	-43.98	1	275.349	-0.449	4	4	8	COC(=O)CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C
214187053	ZINC000337626542	high	-0.25	-10.71	0	275.349	-0.449	3	5	8	COC(=O)CCCNC(=O)NC[C@@](C)(O)CN(C)C
214187054	ZINC000337627771	ref	-1.09	-19.05	0	272.326	-0.072	2	5	7	CN(CCOCCO)C(=O)c1ccc(C(N)=O)s1
282122941	ZINC000137658542	mid	9.01	-52.33	0	266.345	1.845	1	5	7	CCC(CC)(CNc1cc[nH+]c(N(C)C)n1)C(=O)[O-]
282122944	ZINC000323856242	ref	7.35	-48.69	-1	335.282	3.312	1	6	7	CCC(CC)(CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])C(=O)[O-]
282122953	ZINC000128772722	ref	10.89	-18.36	0	305.382	2.132	1	7	6	CCC(CC)(CNc1c(C)c(C)nc2ncnn12)C(=O)OC
342079707	ZINC000625312979	mid	4.25	-32.45	1	290.323	1.665	0	5	3	COc1nc(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)co1
342079708	ZINC000625311843	ref	6.37	-15.14	0	282.25	1.773	0	5	2	Cc1nnc2n1CCN(C(=O)c1ccc(C(F)F)o1)C2
282122957	ZINC000313401782	ref	3.78	-54.1	-1	300.38	1.788	1	6	7	CCC(CC)(CNc1ccc(S(C)(=O)=O)cn1)C(=O)[O-]
349535094	ZINC000621241911	ref	7.17	-57.88	-1	277.311	2.429	1	3	8	CCC(CC)(CC(=O)NCC[C@@H]1CC1(F)F)C(=O)[O-]
282122961	ZINC000297504454	ref	8.04	-8.87	0	306.322	2.253	1	7	7	CCC(CC)(CNc1ncc(C#N)cc1[N+](=O)[O-])C(=O)OC
214187064	ZINC000337625437	ref	4.81	-11.69	0	283.266	2.054	1	5	3	O=C(Nc1cnccc1-n1cccn1)c1cncc(F)c1
398245515	ZINC000649440689	ref	7.59	-6.06	0	227.307	3.674	0	2	4	CC(C)OCc1ccc(-c2cccnc2)cc1
365637656	ZINC000123392041	mid	7.5	-39.25	1	299.484	2.302	3	2	5	C[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)NC[C@@H]2CCCS2)C1
365637664	ZINC000123392041	high	5.19	-7.99	0	299.484	2.302	2	3	5	C[C@@H]1CCCN(C[C@@H](C)NC(=O)NC[C@@H]2CCCS2)C1
342079709	ZINC000625308692	ref	2.53	-11.74	0	282.359	1.611	3	3	6	CC(C)(C)CNC(=O)CN[C@@H](CO)c1ccc(F)cc1
365637672	ZINC000123406629	ref	5.75	-8.28	0	269.385	2.075	0	3	5	CCC1(CC)[C@@H](N(C)C(=O)[C@@H]2CCOC2)C[C@H]1OC
365637684	ZINC000123279702	ref	5.28	-3.05	0	262.397	2.278	2	2	4	CC[C@@](C)(O)C[NH+]1CCN(c2ccccc2C)CC1
365637699	ZINC000123279702	high	5.28	-3.05	0	262.397	2.278	1	3	4	CC[C@@](C)(O)CN1CCN(c2ccccc2C)CC1
365637705	ZINC000123396552	ref	6.04	-12.59	0	298.346	2.265	0	5	8	C=CCN(CC=C)C(=O)CCc1nc(-c2ccccn2)no1
365637714	ZINC000123279481	ref	4.95	-2.88	0	262.397	2.278	2	2	4	CC[C@](C)(O)C[NH+]1CCN(c2ccccc2C)CC1
365637723	ZINC000123279481	high	4.95	-2.88	0	262.397	2.278	1	3	4	CC[C@](C)(O)CN1CCN(c2ccccc2C)CC1
398245517	ZINC000649443747	ref	7.09	-7.8	0	228.295	2.721	0	3	1	Cc1c(-c2cccc3c2OCCC3)cnn1C
365639317	ZINC000123665153	ref	7.18	-15.96	0	284.363	2.2	1	4	3	C[C@@H]1CCc2ccccc2N1C(=O)CNc1ccn(C)n1
365639339	ZINC000123669708	ref	7.86	-39.82	1	279.409	2.445	1	4	3	C[C@@H]1CCCCN1CC(=O)Nc1nc2c(s1)CCC2
365639348	ZINC000123669708	mid	7.54	-40.45	1	279.409	2.445	2	3	3	C[C@@H]1CCCC[N@@H+]1CC(=O)Nc1nc2c(s1)CCC2
365639353	ZINC000123669708	mid	7.86	-39.82	1	279.409	2.445	2	3	3	C[C@@H]1CCCC[N@H+]1CC(=O)Nc1nc2c(s1)CCC2
342079710	ZINC000625308692	mid	3.63	-48.54	1	282.359	1.611	3	2	6	CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1
342079711	ZINC000625307896	ref	5.94	-12.04	0	288.355	1.303	1	6	5	CN(c1nnc(-c2cn[nH]c2)n1CC1CC1)[C@H]1CCOC1
342079712	ZINC000625307414	ref	1.71	-40.71	1	285.428	1.573	4	3	8	OCC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCCCC1
365639363	ZINC000123704875	ref	4.76	-9.49	0	297.349	2.453	2	2	5	O=C(NCCCF)N[C@@H]1CCCN(c2cccc(F)c2)C1
365639383	ZINC000123655307	ref	6.71	-6.46	0	262.397	2.452	1	1	6	C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CCC2(CCC2)C1
168364864	ZINC000368499206	low	11.26	-30.32	1	334.423	3.353	0	3	3	Cc1cc(C(=O)N2CCC[C@H]2Cn2cc[nH+]c2)c2nccc(C)c2c1
365639385	ZINC000641608609	mid	7.21	-39.89	1	271.364	1.742	1	3	1	C[N@H+]1CC[C@@]2(CCN(c3ccc4c(n3)C(=O)CC4)C2)C1
222608604	ZINC000125784626	ref	4.52	-19.47	0	348.378	2.329	2	5	7	O=C(NCCCO[C@H]1CCOC1)Nc1cnn(-c2ccccc2F)c1
342596487	ZINC000616972809	ref	1.22	-17.83	0	288.225	1.203	2	3	3	O=C(N[C@H]1CCNC1=O)c1ccc(OC(F)(F)F)cc1
214187036	ZINC000053528071	ref	9.83	-15.01	0	339.424	2.549	2	5	6	C[C@H](SCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1
178303080	ZINC000070165887	ref	6.58	-9.33	0	238.294	2.65	1	4	3	Cc1cc2ncc(CNc3ccccc3)cn2n1
342596488	ZINC000616976455	ref	3.88	-15.36	0	261.387	1.458	0	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCS(=O)(=O)C1
214187041	ZINC000053528071	high	9.67	-57.85	-1	339.424	2.549	1	5	6	C[C@H](SCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1
398245519	ZINC000649440681	ref	6.31	-6.82	0	201.225	2.585	0	3	1	Cc1oncc1-c1cccc2c1OCC2
178303086	ZINC000005390554	ref	4.45	-17.06	0	240.286	1.809	1	4	0	Cc1cc2nc3ccc(=O)cc-3n(C)c2cc1N
214187047	ZINC000053532253	ref	7.58	-12.24	0	345.443	1.98	1	4	7	COC(=O)CCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1
342596489	ZINC000616972260	ref	4.31	-15.44	0	274.364	1.568	2	2	5	CC[C@H](Cc1ccccc1C)C(=O)N[C@H]1CCNC1=O
185089086	ZINC000096077019	ref	7.83	-52.62	1	291.395	2.268	1	3	2	Cc1noc(C)c1C[N@H+]1CCC[C@]2(CCCC(=O)N2C)C1
398245521	ZINC000649440713	ref	6.37	-10.11	0	242.278	2.542	1	3	3	Cc1oncc1-c1ccc(C(=O)NC2CC2)cc1
398245524	ZINC000649440641	ref	6.81	-4.86	0	245.322	3.209	1	3	4	Cc1oncc1-c1ccccc1C[C@H](O)C(C)C
398245527	ZINC000649443672	ref	5.89	-42.8	1	225.295	2.315	1	2	1	Cc1cnnc2c(C3=CC[NH2+]CC3)cccc12
342596490	ZINC000616972274	ref	2.45	-16.53	0	273.119	1.612	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(Cl)ccc1Cl
222608620	ZINC000125786250	ref	3.33	-11.7	0	338.448	2.56	3	4	10	CC[C@](C)(CCO)NC(=O)NC[C@@H](C)COc1ccccc1OC
178303099	ZINC000096517301	ref	6.76	-62.34	-1	247.254	0.537	0	6	2	Cc1cc2nc3n(c(=O)c2n1CC(=O)[O-])CCC3
178303102	ZINC000019130130	ref	3.58	-63.57	0	244.298	0.963	1	3	0	Cc1cc2nc3c(c(=O)n2[n-]1)C[C@H]1CC[C@@H](C3)[NH2+]1
185089089	ZINC000096077019	mid	7.71	-51.67	1	291.395	2.268	1	3	2	Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCC(=O)N2C)C1
178303105	ZINC000019130130	low	3.7	-49.36	1	244.298	0.963	2	3	0	Cc1cc2nc3c(c(=O)n2[nH]1)C[C@H]1CC[C@@H](C3)[NH2+]1
342596491	ZINC000616972296	ref	3.73	-21.38	0	285.347	1.495	3	2	5	O=C(CCCc1c[nH]c2ccccc12)N[C@@H]1CCNC1=O
214187038	ZINC000278488802	mid	6.46	-44.7	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C
343994042	ZINC000079917701	high	7.81	-30.14	1	288.439	2.008	3	1	7	CCCNC(=[NH2+])NC[C@H]1CCCN1CCc1ccccc1
343994043	ZINC000079911524	ref	4.78	-18.98	0	290.388	2.193	2	4	5	N#CCSc1cccc(C(=O)NC[C@@H]2CCC[C@@H]2O)c1
342079713	ZINC000625312045	ref	3.23	-8.86	0	278.343	1.852	1	3	5	CC(C)(C)CNC(=O)CN1CCC[C@@H](OC(F)F)C1
343994044	ZINC000079916245	ref	6.34	-13.6	0	258.277	2.036	1	4	3	Cn1c(=O)oc2ccc(NC(=O)/C=C/C3CC3)cc21
349535096	ZINC000258905416	mid	6.88	-38.02	1	246.398	2.822	2	1	5	CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2N)cc1
214187039	ZINC000278488802	mid	4.04	-10.16	0	319.449	1.634	2	3	5	Cc1ccccc1CCNC(=O)N1CCN(C[C@H](C)O)C[C@H]1C
214187043	ZINC000278488444	ref	5.96	-11.83	0	301.333	3.28	1	3	7	COC(C)(C)CC(=O)N[C@@H](C)c1ccc(OC(F)F)cc1
342079714	ZINC000625312045	low	5.58	-39.6	1	278.343	1.852	2	2	5	CC(C)(C)CNC(=O)C[N@@H+]1CCC[C@@H](OC(F)F)C1
342079715	ZINC000625312045	low	5.4	-39.35	1	278.343	1.852	2	2	5	CC(C)(C)CNC(=O)C[N@H+]1CCC[C@@H](OC(F)F)C1
259308361	ZINC000526042170	ref	7.06	-6.97	0	242.326	2.295	1	4	3	C[C@H]1CC[C@@H](CNc2ncnc3ccncc23)C1
214187049	ZINC000278488490	ref	8.1	-14.67	0	323.433	3.156	1	3	7	C=C(C)[C@H]1OCC[C@H]1C(=O)NCCSCc1ccccc1F
197594039	ZINC000162817674	ref	4.87	-13.29	0	320.172	1.952	2	4	5	COC(=O)[C@H](C)CNC(=O)[C@@H](O)c1cc(Cl)cc(Cl)c1
342079716	ZINC000625312854	ref	7.02	-13.85	0	266.345	1.29	1	5	7	CCO[C@@H](C(=O)NCc1nncn1C1CC1)C(C)C
342079717	ZINC000046602547	ref	8.34	-38.84	1	298.39	1.642	2	3	7	C[N@H+](CC(=O)NCc1ccccc1Cn1cccn1)C1CC1
342079718	ZINC000046602547	mid	8.34	-38.25	1	298.39	1.642	2	3	7	C[N@@H+](CC(=O)NCc1ccccc1Cn1cccn1)C1CC1
342079719	ZINC000046602547	mid	5.98	-13.25	0	298.39	1.642	1	4	7	CN(CC(=O)NCc1ccccc1Cn1cccn1)C1CC1
342079720	ZINC000625312394	ref	1.88	-7.29	0	282.306	1.1	1	3	4	C[C@H](O)CN1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
342079721	ZINC000625312394	mid	4.15	-44.35	1	282.306	1.1	2	2	4	C[C@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
342079722	ZINC000046602254	ref	5.93	-41.83	1	279.336	1.307	2	4	7	COC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)C2CC2)cc1
342079723	ZINC000046602254	mid	5.84	-42.84	1	279.336	1.307	2	4	7	COC(=O)c1ccc(OC[C@@H](O)C[N@@H+](C)C2CC2)cc1
342079724	ZINC000046602254	high	3.58	-8.77	0	279.336	1.307	1	5	7	COC(=O)c1ccc(OC[C@@H](O)CN(C)C2CC2)cc1
282122939	ZINC000248972106	high	0.41	-7.95	0	317.813	1.143	3	5	9	C[C@H](O)CN(C[C@@H](O)COc1ccccc1Cl)[C@@H](C)CO
282122943	ZINC000248972103	ref	0.62	-38.49	1	317.813	1.143	4	4	9	C[C@H](O)C[N@H+](C[C@H](O)COc1ccccc1Cl)[C@H](C)CO
282122945	ZINC000248972103	mid	1.23	-37.93	1	317.813	1.143	4	4	9	C[C@H](O)C[N@@H+](C[C@H](O)COc1ccccc1Cl)[C@H](C)CO
365637661	ZINC000625080591	ref	1.86	-12.57	0	320.437	2.004	1	5	8	CCCCCNC(=O)C1CCN(Cc2cncc(OC)n2)CC1
365637668	ZINC000625080591	mid	4.23	-51.23	1	320.437	2.004	2	4	8	CCCCCNC(=O)C1CC[NH+](Cc2cncc(OC)n2)CC1
197594040	ZINC000290095235	ref	6.88	-11.69	0	298.386	2.51	2	2	6	O=C(NCCNC(=O)C1CC1)c1ccc(C2=CCCC2)cc1
365637673	ZINC000625082577	ref	3.58	-10.54	0	319.373	2.197	1	3	4	Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@@H](C)O)c(F)c1F
365637679	ZINC000625080628	ref	5.2	-8.06	0	313.41	2.499	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCCOC[C@@H]1C
365637686	ZINC000625081658	ref	6.25	-10.22	0	310.438	2.354	0	3	1	C[C@H]1CN(C(=O)N2CCC(C3CCOCC3)CC2)C[C@@H](C)O1
365637693	ZINC000625082581	ref	3.28	-10.56	0	319.373	2.197	1	3	4	Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[C@@H](C)O)c(F)c1F
398245526	ZINC000095016246	ref	6.29	-9.53	0	249.314	1.339	0	5	2	COC(=O)[C@@H]1CN(c2nc(C)cc(C)n2)C[C@H]1C
342079725	ZINC000625307549	ref	7.67	-14.94	0	277.368	1.689	0	4	6	CCO[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)C1CC1
342088389	ZINC000600314956	ref	6.4	-17.82	0	285.319	1.769	1	5	5	C[C@@H](C(=O)Nc1cnn(CCF)c1)C(=O)OC(C)(C)C
342088390	ZINC000621363302	ref	0.36	-9.93	0	283.397	1.552	2	5	4	CC(=O)Nc1nc(CN2CC[C@H](C)[C@H](CO)C2)cs1
342088391	ZINC000621363302	low	3.37	-35.8	1	283.397	1.552	3	4	4	CC(=O)Nc1nc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)cs1
342088392	ZINC000621363302	low	2.82	-36.1	1	283.397	1.552	3	4	4	CC(=O)Nc1nc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cs1
342088393	ZINC000121458391	ref	6.91	-16.78	0	288.351	1.575	1	5	6	CC(C)Oc1cccnc1C(=O)NCCc1cncn1C
342088394	ZINC000121458391	low	7.42	-39.2	1	288.351	1.575	1	4	6	CC(C)Oc1cccnc1C(=O)NCCc1c[nH+]cn1C
342088395	ZINC000034187605	ref	6.51	-8.96	0	289.116	1.922	0	1	2	CN(C)C(=O)Cc1ccc(I)cc1
342088396	ZINC000621363300	ref	0.58	-9.88	0	283.397	1.552	2	5	4	CC(=O)Nc1nc(CN2CC[C@@H](C)[C@H](CO)C2)cs1
342088397	ZINC000621363300	low	2.83	-36.17	1	283.397	1.552	3	4	4	CC(=O)Nc1nc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cs1
342088398	ZINC000621363300	low	3.02	-36.89	1	283.397	1.552	3	4	4	CC(=O)Nc1nc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cs1
219048048	ZINC000286547931	ref	4.25	-12.2	0	310.354	0.834	1	4	3	CNS(=O)(=O)N1CCc2c(ncn2-c2ccc(F)cc2)C1
342079726	ZINC000625312989	ref	4.98	-36.86	1	270.417	1.632	3	2	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCCC[C@@H]1O
398245528	ZINC000650858493	ref	6.56	-12.47	0	289.383	1.917	2	4	3	C[C@H](NC(=O)NC1CC2(CCC2)C1)c1nnc2n1CCC2
342079727	ZINC000625312989	mid	4.98	-34.96	1	270.417	1.632	3	2	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCCC[C@@H]1O
342079728	ZINC000625312989	mid	3.02	-7.71	0	270.417	1.632	2	3	5	CN(CC(=O)NCC(C)(C)C)C[C@H]1CCCC[C@@H]1O
342079729	ZINC000625312988	ref	5.11	-37.57	1	270.417	1.632	3	2	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCCC[C@H]1O
342079730	ZINC000625312988	mid	5.1	-37.55	1	270.417	1.632	3	2	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCCC[C@H]1O
342079731	ZINC000625312988	mid	3.14	-7.53	0	270.417	1.632	2	3	5	CN(CC(=O)NCC(C)(C)C)C[C@H]1CCCC[C@H]1O
219048051	ZINC000286547931	low	4.72	-42.92	1	310.354	0.834	1	3	3	CNS(=O)(=O)N1CCc2c([nH+]cn2-c2ccc(F)cc2)C1
219048055	ZINC000286547683	ref	8.2	-42.67	1	306.41	3.101	3	4	7	C[C@@H]1CCC[N@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1
342079732	ZINC000625313328	ref	2.9	-50.33	1	292.383	1.364	2	4	5	COc1cncc(C[N@H+](C)C2CCC(NC(C)=O)CC2)n1
342079733	ZINC000625313328	mid	3.51	-51.02	1	292.383	1.364	2	4	5	COc1cncc(C[N@@H+](C)C2CCC(NC(C)=O)CC2)n1
212168673	ZINC000275170636	mid	0.23	-13.67	0	308.304	1.262	4	3	5	Cc1cc(C[C@@H](C)NC(=O)NC[C@](C)(O)C(F)(F)F)n[nH]1
212168679	ZINC000275170966	ref	4.64	-12.47	0	323.37	1.092	0	5	2	O=C1OCC[C@@]12CCCN2S(=O)(=O)c1ccc2c(c1)CCO2
212168686	ZINC000275171638	ref	4.37	-46.86	1	306.406	0.948	3	3	6	COCc1cccc(CC(=O)NCC2(O)CC[NH+](C)CC2)c1
219048058	ZINC000286547683	mid	8.22	-41.94	1	306.41	3.101	3	4	7	C[C@@H]1CCC[N@@H+](CCCCNc2ccc(N)cc2[N+](=O)[O-])C1
219048061	ZINC000286548155	ref	3.11	-11.46	0	324.244	1.815	1	4	5	Cc1nc(S(=O)(=O)NCCC(C)C)c(Br)n1C
219048064	ZINC000286548155	mid	2.55	-52.79	-1	324.244	1.815	0	4	5	Cc1nc(S(=O)(=O)[N-]CCC(C)C)c(Br)n1C
219048067	ZINC000286546240	ref	3.81	-11.42	0	317.432	2.144	1	5	6	Cc1cc2c(cc1S(=O)(=O)NCCSC(C)C)OCO2
219048070	ZINC000286545925	ref	3.86	-19.14	0	320.418	1.256	1	4	3	CCc1[nH]ccc1C(=O)N1CC[S@@](=O)C[C@@H]1c1cnn(C)c1
219048075	ZINC000286547698	ref	1.09	-14.97	0	324.362	0.973	2	6	4	CNS(=O)(=O)c1ccc(C(=O)Nc2cc3n(n2)CCCC3)o1
219048078	ZINC000286547698	mid	0.63	-43.47	-1	324.362	0.973	1	6	4	C[N-]S(=O)(=O)c1ccc(C(=O)Nc2cc3n(n2)CCCC3)o1
178303097	ZINC000237237005	ref	8.23	-91.66	2	359.518	1.876	3	3	6	C[NH+]1CCN(c2cc(C(=O)NCC[NH2+]C3CCCCCC3)ccn2)CC1
365637677	ZINC000343877408	ref	5.26	-37.77	1	215.293	0.808	2	3	7	C=CCCC[N@@H+](C)C[C@](C)(O)C(=O)OC
230731689	ZINC000450414107	ref	2.39	-7.36	0	324.178	1.324	2	5	2	OC[C@@H]1C[C@@H](O)CN1c1ncnc2cc(Br)ccc12
230731692	ZINC000450416478	ref	3.01	-13.41	0	317.436	1.172	1	6	5	CCNS(=O)(=O)[C@@H]1CCN(c2nc(C(C)=O)c(C)s2)C1
365637692	ZINC000343877408	mid	5.25	-37.93	1	215.293	0.808	2	3	7	C=CCCC[N@H+](C)C[C@](C)(O)C(=O)OC
365637700	ZINC000580540905	ref	3.55	-33.6	1	223.32	1.847	2	2	5	COC1([C@H](C)[NH2+]Cc2cc[nH]n2)CCCC1
365637719	ZINC000580540905	mid	2.32	-5.95	0	223.32	1.847	2	3	5	COC1([C@H](C)NCc2cc[nH]n2)CCCC1
230731706	ZINC000450414390	ref	4.31	-10.91	0	308.411	1.181	1	7	6	CC[C@H](CSC)NC(=O)c1nnn(-c2cnn(C)c2)c1C
178303103	ZINC000237237005	mid	5.87	-50.88	1	359.518	1.876	2	4	6	CN1CCN(c2cc(C(=O)NCC[NH2+]C3CCCCCC3)ccn2)CC1
282122942	ZINC000151679422	ref	4.61	-10.77	0	307.365	2.134	2	3	6	O=C(C/C=C/c1cccc(F)c1)NCC1(CO)CCOCC1
365637726	ZINC000580540905	low	3.55	-41.42	1	223.32	1.847	2	2	5	COC1([C@H](C)[NH2+]Cc2ccn[nH]2)CCCC1
214187052	ZINC000053532253	low	9.82	-51.08	1	345.443	1.98	2	3	7	COC(=O)CCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1
365637734	ZINC000576600239	ref	6.45	-43.67	1	249.28	2.549	1	2	5	CC[C@@H](CC(F)(F)F)[NH2+]Cc1cnc(C)n1C
365637738	ZINC000576600239	low	6.92	-95.9	2	249.28	2.549	1	1	5	CC[C@@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c(C)n1C
365637742	ZINC000576600239	high	5.8	-9.91	0	249.28	2.549	1	3	5	CC[C@@H](CC(F)(F)F)NCc1cnc(C)n1C
365637748	ZINC000175975742	ref	8.31	-43.14	1	236.359	1.585	1	1	3	C[NH+](C)C1CCN(C(=O)[C@H]2C[C@H]2C2CC2)CC1
282122946	ZINC000151668933	ref	7.33	-8.94	0	302.418	2.256	0	3	5	CC1(C)C[C@H]1C(=O)N1CCN(CCOc2ccccc2)CC1
365637774	ZINC000576605266	ref	5.6	-42.72	1	228.336	1.012	2	2	6	CCO[C@H](CC)C(=O)N[C@@H]1CC[N@H+](CC)C1
185089090	ZINC000096077019	mid	5.97	-11.94	0	291.395	2.268	0	4	2	Cc1noc(C)c1CN1CCC[C@]2(CCCC(=O)N2C)C1
365637784	ZINC000576605266	mid	5.71	-43.62	1	228.336	1.012	2	2	6	CCO[C@H](CC)C(=O)N[C@@H]1CC[N@@H+](CC)C1
365637787	ZINC000576605266	high	3.23	-8.1	0	228.336	1.012	1	3	6	CCO[C@H](CC)C(=O)N[C@@H]1CCN(CC)C1
365637795	ZINC000576600119	ref	7.08	-9.79	0	238.375	3.148	1	1	2	CC[C@@H]1CC[C@@H](NC(=O)N2[C@H](C)C[C@H]2C)CC1
365637801	ZINC000576600351	ref	7.98	-45.27	1	249.329	3.257	1	1	4	COc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1F
214187055	ZINC000278488633	ref	3.3	-8.2	0	313.825	2.499	1	4	8	COC[C@H](C)OC[C@@H](O)CN1CC[C@@H]1c1ccc(Cl)cc1
214187056	ZINC000278488633	mid	5.48	-41.5	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@@H](O)C[N@@H+]1CC[C@@H]1c1ccc(Cl)cc1
214187058	ZINC000278488633	mid	6.04	-43.63	1	313.825	2.499	2	3	8	COC[C@H](C)OC[C@@H](O)C[N@H+]1CC[C@@H]1c1ccc(Cl)cc1
214187061	ZINC000278488401	ref	8.44	-9.02	0	307.423	3.366	0	7	4	CC(C)(C)c1cc(CSc2nnnn2C2CCCC2)no1
214187065	ZINC000278487212	ref	5.81	-10.44	0	301.394	2.644	2	4	5	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)[C@H](C)C(C)C)n2)c1
214187068	ZINC000278488546	ref	6.13	-17.25	0	307.415	2.126	0	3	3	CS(=O)(=O)[C@H]1CCCCN(C(=O)/C=C/c2ccccc2)C1
214187072	ZINC000278488795	ref	5.54	-20.61	0	305.3	2.169	1	3	3	CO[C@@H](C)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
214187075	ZINC000278488795	mid	5.45	-15.54	0	305.3	2.169	1	3	3	CO[C@@H](C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
214187076	ZINC000278488952	ref	8.02	-56.79	1	301.419	2.112	1	5	4	Cn1nccc1N1CCC[C@@H]([NH2+]Cc2ccc(C#N)s2)C1
178303106	ZINC000237233024	ref	6.16	-53.69	1	359.47	1.426	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)cc1
178303113	ZINC000237242742	ref	3.35	-44.95	1	351.472	1.857	2	3	4	CC(=O)Nc1cc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)ccc1C
214187078	ZINC000278488952	high	6.85	-8.28	0	301.419	2.112	1	6	4	Cn1nccc1N1CCC[C@@H](NCc2ccc(C#N)s2)C1
214187081	ZINC000278488025	ref	5.98	-9.93	0	310.394	2.171	1	4	6	COCCN(Cc1ccc(C)o1)C(=O)N[C@@H]1CCOC[C@H]1C
214187083	ZINC000278486939	ref	6.6	-11.91	0	302.161	2.884	0	5	2	CC(C)(C)c1cc(Cn2ncc(Cl)c(Cl)c2=O)no1
214187086	ZINC000278487801	ref	8.85	-18.84	0	304.325	2.507	2	4	3	CC1(C)CC[C@H](C(=O)Nc2n[nH]c(-c3ccccc3F)n2)O1
214187088	ZINC000278487801	low	8.76	-15.56	0	304.325	2.507	2	4	3	CC1(C)CC[C@H](C(=O)Nc2nc(-c3ccccc3F)n[nH]2)O1
214187091	ZINC000278487801	high	8.63	-61.08	-1	304.325	2.507	1	4	3	CC1(C)CC[C@H](C(=O)Nc2n[n-]c(-c3ccccc3F)n2)O1
214187093	ZINC000278488040	ref	5.91	-10.71	0	307.39	2.637	1	4	5	COc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)ccc1OC(C)C
214187099	ZINC000278487808	ref	5.55	-14.99	0	320.389	1.625	0	4	3	CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)c2ccco2)CC1
214187101	ZINC000278486769	ref	5.99	-8.46	0	319.355	3.117	1	4	4	Cc1nc(F)ccc1CNc1cc(F)cc(N2CCOCC2)c1
168366143	ZINC000037448821	ref	4.23	-53.61	1	176.223	0.619	1	3	2	C[C@@H]([NH3+])Cc1nnc2ccccn12
222608618	ZINC000291775605	ref	8.13	-8.59	0	320.408	3.412	1	2	4	CO[C@@H]1CCN(C(=O)NCc2ccc(C3CC3)cc2F)[C@H](C)C1
342596492	ZINC000616972648	ref	3.96	-17.87	0	278.739	1.448	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1
342596493	ZINC000616972566	ref	2.03	-19.2	0	283.125	1.067	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cccc(Br)c1
342596494	ZINC000616972506	ref	3.8	-17.88	0	294.301	1.391	2	2	3	O=C1NCC[C@H]1NC(=O)C1(c2c(F)cccc2F)CCC1
342596495	ZINC000616972976	ref	4.21	-19.73	0	268.316	1.387	2	2	3	O=C(Cc1cccc2ccccc12)N[C@@H]1CCNC1=O
222608639	ZINC000291776249	ref	5.41	-7.34	0	318.421	2.321	2	4	3	Cn1cc(NC(=O)C(=O)N[C@@H]2CCCC(C)(C)C2)c(C2CC2)n1
342596496	ZINC000616972975	ref	4.22	-19.91	0	268.316	1.387	2	2	3	O=C(Cc1cccc2ccccc12)N[C@H]1CCNC1=O
342596497	ZINC000616972847	ref	4.3	-20.03	0	289.36	1.466	2	4	3	Cc1cc(C(=O)N[C@H]2CCNC2=O)c(-n2cccc2)s1
185091451	ZINC000096081397	mid	8.44	-96.72	2	289.423	1.79	2	2	5	COCC[NH+]1CC[C@@H]2C[N@@H+](Cc3cccc(C)n3)C[C@@H]2C1
342596498	ZINC000590781565	ref	6.0	-11.31	0	285.347	1.853	2	3	5	C[C@@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CC1
290622713	ZINC000492522528	ref	5.31	-11.4	0	261.321	2.425	1	3	5	CCN(C(=O)/C=C\c1ccc(OC)c(O)c1)C1CC1
222608644	ZINC000291776500	ref	4.53	-13.21	0	320.418	2.789	2	5	4	CCn1cc(NC(=O)N[C@H](C)[C@H]2OCCc3sccc32)cn1
342596499	ZINC000616973180	ref	1.06	-18.34	0	289.154	1.129	2	3	2	O=C(N[C@@H]1CCNC1=O)c1ccsc1Br
136229277	ZINC000232465776	low	6.77	-123.4	2	216.328	2.016	2	0	3	c1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]1
136229278	ZINC000292819061	ref	4.93	-4.28	0	233.258	1.835	0	2	4	C=CCC(F)(F)C(=O)N1CCO[C@H](CC)C1
222608651	ZINC000291776283	ref	1.6	-11.1	0	315.373	2.444	3	4	7	CC[C@H](O)CNC(=O)NCc1ccc(Oc2ccccc2)nc1
365637678	ZINC000274364405	high	0.56	-9.96	0	289.335	1.59	3	5	7	C[C@@H](CCc1ccc(O)cc1)NCc1cc(C(N)=O)no1
290622717	ZINC000492523387	ref	5.6	-10.07	0	263.362	2.371	1	3	2	O=C(/C=C\c1ccc(O)cc1)N1CCCSCC1
342596500	ZINC000616972895	ref	3.81	-17.1	0	298.795	1.827	2	3	5	O=C(CCSc1ccccc1Cl)N[C@H]1CCNC1=O
136229279	ZINC000232466340	ref	4.26	-42.96	1	217.272	1.992	2	3	3	c1cc2occc2c(NC[C@H]2CCC[NH2+]2)n1
212168794	ZINC000335491786	ref	6.83	-15.28	0	287.388	3.109	1	3	3	CSc1ccc(C(=O)N2CCC[C@H]2c2ncc[nH]2)cc1
212168797	ZINC000335491786	low	7.32	-34.35	1	287.388	3.109	1	2	3	CSc1ccc(C(=O)N2CCC[C@H]2c2[nH]cc[nH+]2)cc1
365637685	ZINC000274367124	ref	5.22	-38.59	1	287.367	1.519	0	6	3	C[C@H](c1cnccn1)N1CCO[C@](C)(c2cnn(C)c2)C1
365637690	ZINC000274367124	low	4.34	-37.64	1	287.367	1.519	1	5	3	C[C@H](c1cnccn1)[N@@H+]1CCO[C@](C)(c2cnn(C)c2)C1
365637695	ZINC000274367124	low	4.34	-37.64	1	287.367	1.519	1	5	3	C[C@H](c1cnccn1)[N@H+]1CCO[C@](C)(c2cnn(C)c2)C1
365637701	ZINC000274364517	ref	1.96	-10.85	0	267.759	1.659	1	4	5	CCC(=O)CNS(=O)(=O)c1ccc(Cl)s1
398245529	ZINC000649440582	ref	8.26	-6.14	0	227.307	3.928	0	2	5	CCCCOc1ccccc1-c1cccnc1
398245532	ZINC000649443760	ref	6.05	-5.38	0	242.322	3.508	1	3	2	CC(C)(C)Oc1ccc(-c2ccc(N)cc2)cn1
219048065	ZINC000097681840	ref	1.58	-15.05	0	326.418	0.809	2	4	7	COCC1(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)CCC1
297220639	ZINC000372074097	ref	7.12	-7.68	0	265.397	2.84	0	2	2	C[C@H]1CCN(C(=O)C2(C3CC3)CCOCC2)[C@H](C)C1
365637707	ZINC000274364517	high	1.58	-41.09	-1	267.759	1.659	0	4	5	CCC(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1
365637710	ZINC000274366813	ref	2.78	-18.26	0	272.37	1.466	0	4	6	CCCc1nc(C(=O)N(C)[C@@H](C)C[S@](C)=O)co1
365637717	ZINC000637720283	ref	7.85	-10.5	0	266.341	1.876	0	4	8	CCCCN(C(=O)[C@H](COC)OC)c1ccccn1
342079734	ZINC000625313328	high	1.18	-10.93	0	292.383	1.364	1	5	5	COc1cncc(CN(C)C2CCC(NC(C)=O)CC2)n1
342079735	ZINC000625313861	ref	6.66	-10.36	0	291.395	1.934	0	4	3	C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)[C@@H]1C
342079736	ZINC000625313204	ref	4.92	-5.31	0	254.374	1.354	0	3	6	CCO[C@@H](CN1CCN(C(C)C)C(=O)C1)C1CC1
342079737	ZINC000625313204	mid	7.37	-43.5	1	254.374	1.354	1	2	6	CCO[C@@H](C[N@@H+]1CCN(C(C)C)C(=O)C1)C1CC1
342079738	ZINC000625313204	mid	7.45	-43.32	1	254.374	1.354	1	2	6	CCO[C@@H](C[N@H+]1CCN(C(C)C)C(=O)C1)C1CC1
398245535	ZINC000649440579	ref	7.39	-6.13	0	228.295	3.069	0	3	4	CC(C)OCc1ccc(-c2cncnc2)cc1
282122947	ZINC000248972103	high	-0.52	-8.34	0	317.813	1.143	3	5	9	C[C@H](O)CN(C[C@H](O)COc1ccccc1Cl)[C@H](C)CO
342079739	ZINC000625313348	ref	1.34	-9.93	0	288.294	1.356	1	4	4	C[C@H](O)CN1CCN(C(=O)c2coc(C(F)F)c2)CC1
342079740	ZINC000625313348	low	3.56	-42.38	1	288.294	1.356	2	3	4	C[C@H](O)C[NH+]1CCN(C(=O)c2coc(C(F)F)c2)CC1
398249316	ZINC000651464504	ref	7.88	-7.37	0	297.402	3.354	1	4	5	CC(C)c1nccnc1NC[C@@H]1CC[C@H](c2ccccc2)O1
365637722	ZINC000274366460	ref	6.8	-39.81	1	275.356	1.567	2	3	2	CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cncnc1
398249319	ZINC000651462441	ref	4.38	-7.99	0	278.302	3.292	1	3	4	CCc1ncc(CN[C@H]2CCc3c(F)cc(F)cc32)o1
349535098	ZINC000621243876	ref	6.58	-6.91	0	275.327	2.075	1	4	6	COC[C@@H](C)Nc1ccnc(Cc2ccc(F)cc2)n1
342079741	ZINC000625313363	ref	6.17	-10.63	0	288.355	1.303	1	6	4	C[C@H]1CN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CCO1
342079742	ZINC000625313323	ref	5.26	-18.98	0	287.323	1.164	1	5	2	Cc1cnn([C@@H]2CCCN(C(=O)c3cc(=O)[nH]cn3)C2)c1
197594068	ZINC000290096563	ref	1.9	-9.5	0	286.759	1.855	3	3	5	Cc1c(Cl)cccc1NC(=O)N(CCO)C[C@H](C)O
197594070	ZINC000290095037	ref	0.71	-10.81	0	266.297	1.23	2	4	4	COc1ccc(NC(=O)N[C@H]2COC[C@@H]2OC)cc1
342079743	ZINC000625313323	high	4.11	-45.25	-1	287.323	1.164	0	5	2	Cc1cnn([C@@H]2CCCN(C(=O)c3cc(=O)[n-]cn3)C2)c1
342079744	ZINC000625313484	ref	2.34	-41.35	1	263.341	1.532	1	4	5	COc1cncc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)n1
342079745	ZINC000625313484	mid	1.36	-5.77	0	263.341	1.532	1	5	5	COc1cncc(CN[C@@]2(C)CCO[C@H]2C2CC2)n1
212168799	ZINC000335492038	ref	4.72	-19.8	0	260.293	0.5	0	3	3	COC1CN(C(=O)CN2Cc3ccccc3C2=O)C1
212168805	ZINC000335491374	ref	4.31	-9.79	0	263.337	2.422	1	3	3	CC[C@H]1CN(C(=O)c2cccc(O)c2)C[C@@H](CC)O1
212168810	ZINC000335491374	high	5.07	-49.76	-1	263.337	2.422	0	3	3	CC[C@H]1CN(C(=O)c2cccc([O-])c2)C[C@@H](CC)O1
212168812	ZINC000335491742	ref	4.81	-13.21	0	276.361	2.482	1	3	1	O=C(c1cc2[nH]ccc2s1)N1CC2(CCCOC2)C1
342079746	ZINC000625313489	ref	2.48	-41.85	1	263.341	1.532	1	4	5	COc1cncc(C[NH2+][C@]2(C)CCO[C@@H]2C2CC2)n1
342079747	ZINC000625313489	mid	1.48	-6.36	0	263.341	1.532	1	5	5	COc1cncc(CN[C@]2(C)CCO[C@@H]2C2CC2)n1
342079748	ZINC000625313486	ref	1.98	-44.44	1	263.341	1.532	1	4	5	COc1cncc(C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)n1
342079749	ZINC000625313486	mid	0.82	-5.87	0	263.341	1.532	1	5	5	COc1cncc(CN[C@@]2(C)CCO[C@@H]2C2CC2)n1
342079750	ZINC000625314229	ref	3.74	-10.95	0	265.386	1.55	1	5	6	C[C@@H](C[N@H+](C)CCc1cn(C)nn1)c1nccs1
342079751	ZINC000625314229	mid	5.81	-39.97	1	265.386	1.55	1	5	6	C[C@@H](C[N@@H+](C)CCc1cn(C)nn1)c1nccs1
342079752	ZINC000625314229	high	3.74	-10.95	0	265.386	1.55	0	6	6	C[C@@H](CN(C)CCc1cn(C)nn1)c1nccs1
342079753	ZINC000625315736	ref	7.44	-15.63	0	279.384	1.935	0	4	6	CCO[C@H](C(=O)N1CCC[C@H]1Cn1cccn1)C(C)C
342079754	ZINC000625314532	ref	0.2	-8.01	0	293.407	1.455	4	3	8	Cc1ccc(C[N@H+](CCO)C[C@@H](O)CC2(O)CCC2)cc1
342079755	ZINC000625314532	mid	2.45	-36.3	1	293.407	1.455	4	3	8	Cc1ccc(C[N@@H+](CCO)C[C@@H](O)CC2(O)CCC2)cc1
398245530	ZINC000650858487	ref	0.96	-10.84	0	253.302	1.383	1	4	3	CC[C@H]1CN(C(=O)NCc2cocn2)[C@@H](C)CO1
342596501	ZINC000616972823	ref	3.34	-16.41	0	250.342	1.207	2	2	2	O=C1NCC[C@H]1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21
342596502	ZINC000616972361	ref	2.95	-17.67	0	284.768	1.68	2	3	3	CSc1ccc(Cl)c(C(=O)N[C@H]2CCNC2=O)c1
214187057	ZINC000053528044	ref	8.38	-16.44	0	339.321	3.174	2	4	3	O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@H]1CCC[C@@H](C(F)(F)F)C1
214187062	ZINC000053528044	mid	8.39	-14.66	0	339.321	3.174	2	4	3	O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCC[C@@H](C(F)(F)F)C1
342596503	ZINC000616972889	ref	2.04	-16.86	0	283.125	1.067	2	2	2	O=C(N[C@@H]1CCNC1=O)c1ccc(Br)cc1
342596504	ZINC000194482295	ref	3.72	-8.83	0	264.712	1.128	2	2	4	C#CCNC(=O)CNC(=O)c1cccc(Cl)c1C
398245533	ZINC000650857509	ref	6.3	-10.91	0	281.396	1.953	1	3	5	C[C@H](OCC1CC1)C(=O)N1CCC[C@@H]1[C@@H]1CCC[C@@H]1O
222608636	ZINC000283713706	ref	8.66	-25.56	0	324.45	1.43	0	6	6	C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1
178303115	ZINC000036722750	ref	5.75	-43.38	0	248.286	1.081	1	5	4	Cc1cc2ncc([C@H](C)[NH2+]CC(=O)[O-])c(C)n2n1
342596505	ZINC000616972567	ref	2.03	-19.21	0	283.125	1.067	2	2	2	O=C(N[C@H]1CCNC1=O)c1cccc(Br)c1
178303117	ZINC000036722750	high	4.59	-46.59	-1	248.286	1.081	1	6	4	Cc1cc2ncc([C@H](C)NCC(=O)[O-])c(C)n2n1
178303120	ZINC000019130185	ref	4.55	-39.99	-1	231.255	1.191	0	4	0	Cc1cc2nc3c(c(=O)n2[n-]1)CCC(=O)CC3
342596506	ZINC000616972275	ref	2.45	-16.51	0	273.119	1.612	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(Cl)ccc1Cl
178303122	ZINC000019130185	low	4.67	-14.24	0	231.255	1.191	1	4	0	Cc1cc2nc3c(c(=O)n2[nH]1)CCC(=O)CC3
398245534	ZINC000650856822	ref	4.45	-38.78	1	285.432	1.662	3	2	6	C[C@@H](CCO)N(C)C(=O)NCC[N@@H+]1[C@@H](C)CCC[C@H]1C
398245537	ZINC000650856822	mid	4.11	-40.04	1	285.432	1.662	3	2	6	C[C@@H](CCO)N(C)C(=O)NCC[N@H+]1[C@@H](C)CCC[C@H]1C
342596507	ZINC000624159086	ref	3.23	-8.77	0	292.383	1.843	2	5	6	CNc1cnc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cn1
349535099	ZINC000258905416	high	5.92	-44.26	1	246.398	2.822	2	1	5	CC(C)c1ccc(CCN[C@@H]2CCC[C@H]2[NH3+])cc1
178303128	ZINC000112734621	ref	6.85	-8.27	0	233.271	1.911	0	5	2	Cc1cc2ncc(C(=O)OC(C)C)c(C)n2n1
398245538	ZINC000650856822	high	2.35	-9.25	0	285.432	1.662	2	3	6	C[C@@H](CCO)N(C)C(=O)NCCN1[C@@H](C)CCC[C@H]1C
342596508	ZINC000616972854	ref	3.86	-20.52	0	278.739	1.448	2	2	3	O=C1NCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl
342596509	ZINC000616972519	ref	3.59	-15.89	0	250.342	1.207	2	2	3	O=C(N[C@H]1CCNC1=O)C1CCC(C2CC2)CC1
365637702	ZINC000625080534	ref	3.27	-10.0	0	306.41	2.218	1	5	6	CCCC(=O)NC1CCN(Cc2noc(C3CCC3)n2)CC1
365637708	ZINC000625079921	ref	1.71	-12.18	0	317.838	2.445	1	4	5	CCCN(Cc1cc(O)ccc1Cl)[C@H]1CCS(=O)(=O)C1
365637712	ZINC000625079921	low	3.65	-51.04	1	317.838	2.445	2	3	5	CCC[N@H+](Cc1cc(O)ccc1Cl)[C@H]1CCS(=O)(=O)C1
365637715	ZINC000625079921	low	3.69	-50.22	1	317.838	2.445	2	3	5	CCC[N@@H+](Cc1cc(O)ccc1Cl)[C@H]1CCS(=O)(=O)C1
343994045	ZINC000079918589	ref	2.48	-9.5	0	293.392	2.326	1	6	8	CCOc1nnc(CN(CCCO)c2ccccc2)s1
303960014	ZINC000412060005	ref	4.38	-12.02	0	349.431	1.451	3	4	6	COC(=O)[C@H](CNC(=O)[C@H](NC(N)=O)C(C)(C)C)c1ccc(C)cc1
365637721	ZINC000625079921	high	1.92	-51.29	-1	317.838	2.445	0	4	5	CCCN(Cc1cc([O-])ccc1Cl)[C@H]1CCS(=O)(=O)C1
342079756	ZINC000625314532	high	0.2	-8.01	0	293.407	1.455	3	4	8	Cc1ccc(CN(CCO)C[C@@H](O)CC2(O)CCC2)cc1
365637727	ZINC000625082308	ref	6.5	-8.31	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1CC[C@H](C)C[C@H](C)C1)C1CC1
295666370	ZINC000412987356	high	5.62	-58.08	-1	317.301	2.555	0	6	6	COc1ccc(OCc2cc(=O)[n-]c(C3CC3)n2)c([N+](=O)[O-])c1
365637733	ZINC000625082711	ref	7.55	-10.15	0	319.311	2.285	0	4	1	O=C(c1cn2c(n1)COCC2)N1CCCc2c(F)cc(F)cc21
349536144	ZINC000258942312	ref	6.21	-45.42	-1	236.271	1.65	0	4	2	CN(C(=O)c1cccc(C(=O)[O-])n1)C(C)(C)C
214187066	ZINC000053528044	high	8.31	-55.22	-1	339.321	3.174	1	4	3	O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1
365637740	ZINC000625079703	ref	4.27	-12.2	0	313.463	2.334	2	3	8	CCC(C)(C)CS(=O)(=O)N[C@@H](C)[C@@H](O)Cc1ccccc1
365637746	ZINC000625081127	ref	3.0	-10.95	0	321.483	2.315	1	4	9	CCC(CC)[C@@H](CCNS(=O)(=O)[C@H]1COC(C)(C)C1)OC
365637751	ZINC000625080794	ref	4.87	-9.54	0	310.36	2.287	0	3	6	CCCN(CC(F)(F)F)C(=O)CN1C[C@H](C)OC[C@H]1CC
365637754	ZINC000625083094	ref	6.59	-13.71	0	314.389	2.245	1	6	4	CCc1nnc(N2Cc3ccc(O)cc3C2)n1C[C@H]1CCCO1
365637755	ZINC000625082541	ref	3.63	-12.43	0	318.421	2.075	1	5	6	O=C(NCC1CC1)[C@@H]1CCCN(Cc2noc(C3CCC3)n2)C1
178303118	ZINC000237236392	ref	3.86	-54.93	1	370.515	1.985	2	4	9	COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1
342079757	ZINC000625312896	ref	6.4	-38.87	1	283.412	1.93	1	3	5	CCO[C@@H](C[N@@H+]1CCOCC2(CCOCC2)C1)C1CC1
342079758	ZINC000625312896	mid	6.62	-34.84	1	283.412	1.93	1	3	5	CCO[C@@H](C[N@H+]1CCOCC2(CCOCC2)C1)C1CC1
178303123	ZINC000237236392	high	3.25	-12.03	0	370.515	1.985	2	5	9	COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@@](C)(CN)CC(C)C)cc1
282122949	ZINC000248974457	ref	4.12	-56.91	1	306.472	1.45	2	3	6	C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](CC[NH+](C)C)C(C)(C)C
214187067	ZINC000337625437	mid	5.25	-38.86	1	283.266	2.054	1	4	3	O=C(Nc1c[nH+]ccc1-n1cccn1)c1cncc(F)c1
178303127	ZINC000237231404	ref	3.44	-46.37	1	354.472	1.615	1	4	7	COCCOc1ccc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
365637728	ZINC000274366460	mid	5.01	-11.36	0	275.356	1.567	2	3	2	CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cncnc1
214187071	ZINC000337624378	ref	9.84	-10.43	0	298.39	2.418	1	4	6	CC[C@H]1C[C@@]1(NC(=O)CCn1cncn1)c1cccc(C)c1
178303144	ZINC000237233595	ref	5.68	-54.4	1	371.528	1.359	1	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)C1
178303150	ZINC000237237512	ref	7.74	-50.95	1	351.397	1.776	1	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)C1
365637731	ZINC000274366460	high	5.01	-11.36	0	275.356	1.567	1	4	2	CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cncnc1
365637736	ZINC000274367364	ref	2.66	-10.64	0	280.372	1.867	3	3	6	Cc1n[nH]cc1CNC(=O)NCCC[C@@H]1CCCCO1
365637741	ZINC000274367364	mid	2.66	-10.64	0	280.372	1.867	3	3	6	Cc1[nH]ncc1CNC(=O)NCCC[C@@H]1CCCCO1
178303156	ZINC000237241299	ref	8.06	-43.37	1	373.497	1.905	1	3	7	C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)C1
365637745	ZINC000274365363	ref	4.2	-9.3	0	281.327	1.366	1	3	4	C[C@@H](O)C[C@H]1COCCN1C(=O)Cc1ccccc1F
178303161	ZINC000237231946	ref	6.56	-54.78	1	373.497	1.96	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)C3([NH3+])CCCCC3)CC2)cc1
185089092	ZINC000096078482	ref	1.3	-41.98	1	264.329	0.284	2	5	3	c1cnc(NC[C@H]2CO[C@]3(C[NH2+]CCOC3)C2)cn1
365637749	ZINC000274365360	ref	3.76	-9.68	0	281.327	1.366	1	3	4	C[C@H](O)C[C@H]1COCCN1C(=O)Cc1ccccc1F
178303165	ZINC000237231946	high	7.04	-14.01	0	373.497	1.96	1	4	5	COc1ccc(CCC(=O)N2CCN(C(=O)C3(N)CCCCC3)CC2)cc1
185089093	ZINC000096075898	ref	4.81	-18.82	0	288.351	0.725	0	4	2	Cc1cnc(C(=O)N2CC[C@@]3(C[C@H]3C(=O)N(C)C)C2)cn1
299072261	ZINC000358087005	ref	7.09	-17.84	0	307.419	2.0	0	5	2	CN(C(=O)c1cnc2n(c1=O)CCS2)[C@@H]1CCC(C)(C)C1
365637752	ZINC000274364481	ref	6.37	-45.08	1	294.395	1.828	1	4	7	COC(=O)CN1CCC([NH2+][C@@H](C)CCc2ccco2)CC1
398245531	ZINC000349075574	ref	-1.64	-15.31	0	249.336	-0.095	3	3	4	C[C@@H](CNC(=O)NC1CCCC1)S(N)(=O)=O
197594067	ZINC000162814653	ref	2.66	-15.24	0	307.394	3.197	3	3	7	CC[C@H](CC(=O)Nc1ccc(NC(N)=O)c(OC)c1)C(C)C
197594069	ZINC000162812014	ref	4.78	-8.19	0	313.394	2.37	1	3	4	Cc1cc(S(=O)(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ccc1F
342079759	ZINC000625315063	ref	5.67	-45.35	1	298.427	1.561	2	3	6	CC(=O)NC1CCC([N@H+](C)CCOC2CCOCC2)CC1
197594076	ZINC000162819157	ref	5.67	-14.96	0	321.421	3.216	3	3	7	CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)CC(C)C)c1
214187069	ZINC000053528044	high	8.23	-56.29	-1	339.321	3.174	1	4	3	O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCC[C@@H](C(F)(F)F)C1
342079760	ZINC000625315063	mid	6.01	-45.29	1	298.427	1.561	2	3	6	CC(=O)NC1CCC([N@@H+](C)CCOC2CCOCC2)CC1
342079761	ZINC000625314648	ref	2.63	-46.35	1	268.332	1.537	3	3	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cncc(F)c1
342079762	ZINC000625314648	high	1.54	-5.9	0	268.332	1.537	3	4	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1cncc(F)c1
342079763	ZINC000625314156	ref	1.87	-42.95	1	264.369	1.707	3	3	6	Cc1ccncc1[C@H](C)[NH2+]C[C@@H](O)CC1(O)CCC1
342079764	ZINC000625314156	high	0.64	-7.12	0	264.369	1.707	3	4	6	Cc1ccncc1[C@H](C)NC[C@@H](O)CC1(O)CCC1
342079765	ZINC000625313685	ref	8.0	-19.61	0	292.383	1.429	0	5	4	CCn1cnnc1C1CCN(C(=O)C2CC(OC)C2)CC1
342079766	ZINC000625313901	ref	0.43	-9.14	0	274.324	1.655	0	6	3	Cc1nc([C@H]2COCCN2Cc2ccncc2C)no1
342079767	ZINC000625314633	ref	1.35	-46.26	1	268.332	1.537	3	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cncc(F)c1
342079768	ZINC000625314633	high	0.17	-5.66	0	268.332	1.537	3	4	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1cncc(F)c1
342079769	ZINC000625314204	ref	0.42	-5.34	0	251.33	1.486	1	4	4	COc1cncc(C[N@H+]2CCC[C@@H](OC)CC2)n1
342079770	ZINC000625314204	mid	2.52	-41.48	1	251.33	1.486	1	4	4	COc1cncc(C[N@@H+]2CCC[C@@H](OC)CC2)n1
342079771	ZINC000625314204	mid	0.42	-5.34	0	251.33	1.486	0	5	4	COc1cncc(CN2CCC[C@@H](OC)CC2)n1
342079772	ZINC000625314554	ref	2.25	-14.47	0	276.344	1.488	0	7	6	CCN(Cc1cn(C)nn1)Cc1noc(C2CCC2)n1
342079773	ZINC000625313628	ref	2.69	-48.31	1	252.289	1.121	2	2	6	CO[C@@H](C[NH2+]C1(C(N)=O)CC1)c1ccc(F)cc1
342079774	ZINC000625313628	mid	1.4	-9.09	0	252.289	1.121	2	3	6	CO[C@@H](CNC1(C(N)=O)CC1)c1ccc(F)cc1
342079775	ZINC000625314172	ref	8.16	-13.8	0	274.368	1.859	0	4	2	Cc1nc(C)n([C@@H]2CCCN(C(=O)C34CC(C3)C4)C2)n1
214187070	ZINC000053528044	high	8.21	-56.24	-1	339.321	3.174	1	4	3	O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCC[C@@H](C(F)(F)F)C1
214187073	ZINC000053539988	ref	3.06	-21.18	0	337.445	2.201	2	4	7	CC[C@H](C)[C@@H](NC(=O)CS(=O)(=O)CC)c1nc2ccccc2[nH]1
214187080	ZINC000053548849	ref	7.74	-12.11	0	337.395	2.588	1	3	4	CCOC(=O)N1CCC(NC(=O)N(C)Cc2cccc(F)c2)CC1
214187085	ZINC000053532178	ref	7.16	-12.84	0	346.456	1.866	1	5	6	Cc1ccccc1-n1ccnc1SCC(=O)N[C@@H](C)C(=O)N(C)C
214187090	ZINC000053535384	ref	7.54	-44.43	1	328.279	3.675	1	3	5	Cc1nn(CC[NH2+][C@H](C)c2cccs2)c(C)c1Br
214187094	ZINC000053535384	high	6.35	-5.64	0	328.279	3.675	1	4	5	Cc1nn(CCN[C@H](C)c2cccs2)c(C)c1Br
214187098	ZINC000053525651	ref	8.09	-17.94	0	341.346	2.586	2	5	6	COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1F
342079776	ZINC000625314215	ref	5.54	-51.22	1	259.357	1.666	1	4	6	CCc1cnccc1[C@@H](C)[NH2+]CCc1cn(C)nn1
214187100	ZINC000053525651	mid	8.08	-17.3	0	341.346	2.586	2	5	6	COc1ccc(CCC(=O)Nc2nc(-c3ccccn3)n[nH]2)cc1F
214187104	ZINC000053525651	high	8.01	-56.04	-1	341.346	2.586	1	5	6	COc1ccc(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)cc1F
214187107	ZINC000053525651	high	7.92	-56.99	-1	341.346	2.586	1	5	6	COc1ccc(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)cc1F
214187110	ZINC000053525651	high	7.92	-56.98	-1	341.346	2.586	1	5	6	COc1ccc(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)cc1F
342079777	ZINC000625314535	ref	1.62	-7.33	0	293.407	1.455	4	3	8	Cc1ccc(C[N@H+](CCO)C[C@H](O)CC2(O)CCC2)cc1
342079778	ZINC000625314535	mid	3.79	-36.51	1	293.407	1.455	4	3	8	Cc1ccc(C[N@@H+](CCO)C[C@H](O)CC2(O)CCC2)cc1
342079779	ZINC000625314535	high	1.62	-7.33	0	293.407	1.455	3	4	8	Cc1ccc(CN(CCO)C[C@H](O)CC2(O)CCC2)cc1
259308363	ZINC000215074220	ref	9.09	-43.0	1	234.387	3.485	1	1	5	CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC1(CC#N)CC1
342079780	ZINC000625315738	ref	7.8	-12.92	0	279.384	1.935	0	4	6	CCO[C@H](C(=O)N1CCC[C@@H]1Cn1cccn1)C(C)C
342079781	ZINC000625314185	ref	7.27	-40.16	-1	260.345	1.71	1	4	3	CC(C)(C)N=c1[n-]nc(-c2cn[nH]c2)n1CC1CC1
342079782	ZINC000625314185	mid	8.3	-10.88	0	260.345	1.71	2	3	3	CC(C)(C)[NH+]=c1[n-]nc(-c2cn[nH]c2)n1CC1CC1
342079783	ZINC000625314645	ref	2.63	-46.47	1	268.332	1.537	3	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cncc(F)c1
178305440	ZINC000004344765	ref	-0.43	-9.99	0	206.209	-0.164	2	6	1	Cc1cc2nnc(/C(N)=N/O)c(C)n2n1
222608642	ZINC000125780057	ref	5.52	-12.75	0	348.378	1.801	2	5	7	CCOCCCNC(=O)C(=O)Nc1cc(C)nn1-c1ccccc1F
282122951	ZINC000151668933	low	9.6	-44.97	1	302.418	2.256	1	2	5	CC1(C)C[C@H]1C(=O)N1CC[NH+](CCOc2ccccc2)CC1
222608646	ZINC000125785711	ref	4.62	-10.39	0	326.343	1.432	1	3	4	C[C@H](NC(=O)[C@@H](C)c1c(F)cccc1F)C(=O)N1CCOCC1
282122954	ZINC000151664709	ref	3.31	-10.55	0	317.345	2.465	1	6	5	Cc1noc(COc2ccc(NC(=O)[C@@]3(C)CCCO3)cc2)n1
342596510	ZINC000616973179	ref	1.06	-18.35	0	289.154	1.129	2	3	2	O=C(N[C@H]1CCNC1=O)c1ccsc1Br
214187074	ZINC000337624813	ref	7.21	-11.37	0	284.363	3.032	1	4	3	C[C@@H]1CCC[C@@H](C(=O)Nc2cnccc2-n2cccn2)C1
342079784	ZINC000625314645	high	1.53	-5.26	0	268.332	1.537	3	4	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1cncc(F)c1
342079785	ZINC000625313860	ref	6.9	-11.63	0	291.395	1.934	0	4	3	C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@@H]2Cn2cccn2)[C@H]1C
222609469	ZINC000125795227	ref	6.69	-16.82	0	343.387	1.264	1	6	4	COCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1c1nncn1C
342079786	ZINC000608869247	ref	8.0	-14.01	0	299.334	1.819	2	6	6	O=[N+]([O-])c1ccccc1NCCNc1ncnc2c1CCC2
342079787	ZINC000623714667	ref	2.85	-12.42	0	267.373	1.248	3	2	6	CNC(=O)CCCNC(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
342079788	ZINC000625314216	ref	5.57	-50.9	1	259.357	1.666	1	4	6	CCc1cnccc1[C@H](C)[NH2+]CCc1cn(C)nn1
342079789	ZINC000625314280	ref	4.01	-10.21	0	265.357	1.203	0	5	4	Cc1cn2c(n1)CN(CCOC1CCOCC1)CC2
342079790	ZINC000625314280	low	4.43	-28.13	1	265.357	1.203	0	4	4	Cc1cn2c([nH+]1)CN(CCOC1CCOCC1)CC2
342079791	ZINC000625313859	ref	6.57	-16.05	0	291.395	1.934	0	4	3	C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@H]2Cn2cccn2)[C@H]1C
342079792	ZINC000625313463	ref	3.04	-38.06	1	269.385	1.2	3	3	6	C[C@]1([NH2+]C[C@H](O)CC2(O)CCC2)CCO[C@H]1C1CC1
342079793	ZINC000625313203	ref	5.68	-6.47	0	254.374	1.354	0	3	6	CCO[C@H](CN1CCN(C(C)C)C(=O)C1)C1CC1
342079794	ZINC000625313203	mid	7.23	-42.89	1	254.374	1.354	1	2	6	CCO[C@H](C[N@@H+]1CCN(C(C)C)C(=O)C1)C1CC1
342079795	ZINC000625313203	mid	7.32	-43.51	1	254.374	1.354	1	2	6	CCO[C@H](C[N@H+]1CCN(C(C)C)C(=O)C1)C1CC1
342079796	ZINC000625314211	ref	2.52	-43.1	1	276.38	1.788	3	3	7	O[C@H](C[NH2+][C@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079797	ZINC000625314211	high	1.42	-7.15	0	276.38	1.788	3	4	7	O[C@H](CN[C@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079798	ZINC000625314154	ref	3.15	-43.01	1	264.369	1.707	3	3	6	Cc1ccncc1[C@H](C)[NH2+]C[C@H](O)CC1(O)CCC1
365637729	ZINC000172921788	ref	5.04	-7.84	0	290.407	1.873	1	3	5	CC(C)[C@@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1
342079799	ZINC000625314154	high	2.0	-6.61	0	264.369	1.707	3	4	6	Cc1ccncc1[C@H](C)NC[C@H](O)CC1(O)CCC1
365637756	ZINC000172921788	low	7.47	-43.71	1	290.407	1.873	2	2	5	CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1
365637761	ZINC000172921788	low	7.03	-44.25	1	290.407	1.873	2	2	5	CC(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1
365637768	ZINC000189262079	ref	5.67	-39.06	1	278.343	1.503	2	2	7	CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCOCC(F)F)C1
365637786	ZINC000189262079	mid	5.72	-39.59	1	278.343	1.503	2	2	7	CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)CCOCC(F)F)C1
365637793	ZINC000172918994	ref	3.56	-18.81	0	298.433	1.502	2	4	8	C[C@@H](CNC(=O)CSCC(N)=O)Sc1ccccc1
365637807	ZINC000172922992	ref	5.84	-11.0	0	296.317	1.661	1	2	4	C[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C(=O)N(C)C
365637825	ZINC000172918320	ref	7.5	-13.22	0	272.308	1.048	0	5	2	Cc1cc(C(=O)N2CCOCC2)ccc1-n1cncn1
342079800	ZINC000625313903	ref	1.66	-7.61	0	274.324	1.655	0	6	3	Cc1nc([C@@H]2COCCN2Cc2ccncc2C)no1
365637840	ZINC000172918698	ref	4.63	-12.38	0	281.381	1.4	0	4	3	CCCc1ncc(C(=O)N2CCN(C(C)=O)CC2)s1
365637851	ZINC000172923665	ref	6.02	-11.94	0	299.334	1.091	1	5	3	Cc1ccccc1[C@]1(C)NC(=O)N(Cc2ncnn2C)C1=O
365637865	ZINC000172916847	ref	8.56	-10.47	0	290.392	1.965	1	5	7	C[C@H](CNC(=O)CCn1cncn1)Sc1ccccc1
365637877	ZINC000172923450	ref	3.21	-11.09	0	287.157	1.913	2	2	4	CC(C)CCNC(=O)c1c[nH]c(=O)c(Br)c1
365637887	ZINC000172915693	ref	2.97	-12.53	0	284.381	1.57	2	3	4	Cc1cccc(NC(=O)C(C)(C)NS(C)(=O)=O)c1C
365637896	ZINC000172922140	ref	3.06	-10.31	0	291.351	1.828	2	4	4	CC(C)(C)Oc1ccc(NCC(=O)N2CCNC2=O)cc1
365637907	ZINC000172923714	ref	5.79	-48.45	1	294.395	1.783	2	3	10	COCCCOc1cccc(C(=O)NCCC[NH+](C)C)c1
365637920	ZINC000172922857	ref	3.53	-12.9	0	281.352	1.868	1	4	10	COCCCNC(=O)c1cccc(OCCCOC)c1
365637931	ZINC000258704986	ref	3.32	-47.08	1	261.325	1.271	2	2	3	C[C@H]([NH3+])CC(=O)Nc1ccc2c(c1)CCC(=O)N2C
136229280	ZINC000184917017	ref	7.34	-5.96	0	231.339	3.214	1	1	5	C=C(C)C[C@H](C)C(=O)NCc1ccccc1C
398245536	ZINC000349284396	ref	3.56	-10.63	0	229.32	1.344	1	3	4	CC(C)(C)OCC(=O)NC[C@@]1(C)CCOC1
342079801	ZINC000625312982	ref	1.43	-8.56	0	288.294	1.356	1	4	4	C[C@@H](O)CN1CCN(C(=O)c2ccc(C(F)F)o2)CC1
342079802	ZINC000625312982	low	3.88	-43.67	1	288.294	1.356	2	3	4	C[C@@H](O)C[NH+]1CCN(C(=O)c2ccc(C(F)F)o2)CC1
365637743	ZINC000336554688	ref	7.93	-9.99	0	276.38	2.493	0	3	2	Cn1cccc1C(=O)C(=O)N1CCC[C@@H](C(C)(C)C)C1
365637750	ZINC000336555057	ref	7.6	-42.7	1	263.385	2.026	1	3	3	Cn1cc(C2CC[NH+](C[C@@H]3CCCOC3)CC2)cn1
365637758	ZINC000336554255	ref	1.58	-10.33	0	272.348	2.383	1	4	3	Cc1nc(CN2CCc3ccccc3[C@@H]2CO)oc1C
365637765	ZINC000336554255	low	3.99	-36.08	1	272.348	2.383	2	3	3	Cc1nc(C[N@@H+]2CCc3ccccc3[C@@H]2CO)oc1C
342079803	ZINC000625313364	ref	6.39	-10.86	0	288.355	1.303	1	6	4	C[C@@H]1CN(c2nnc(-c3cn[nH]c3)n2CC2CC2)CCO1
365637769	ZINC000336554255	low	3.82	-36.5	1	272.348	2.383	2	3	3	Cc1nc(C[N@H+]2CCc3ccccc3[C@@H]2CO)oc1C
342079804	ZINC000625312904	ref	-0.26	-6.1	0	293.367	1.114	0	6	3	COc1cncc(CN2CCOCC3(CCOCC3)C2)n1
342079805	ZINC000625312904	mid	1.54	-44.81	1	293.367	1.114	1	5	3	COc1cncc(C[N@@H+]2CCOCC3(CCOCC3)C2)n1
342079806	ZINC000625312904	mid	2.54	-39.07	1	293.367	1.114	1	5	3	COc1cncc(C[N@H+]2CCOCC3(CCOCC3)C2)n1
342079807	ZINC000625314849	ref	7.1	-10.93	0	258.329	1.678	1	5	4	c1n[nH]cc1-c1nnc(N2CCCC2)n1CC1CC1
365637776	ZINC000336554834	ref	5.63	-31.98	1	265.426	2.428	1	3	2	Cc1nc(CN2C[C@H]3CCC[N@H+]3C[C@H]2C)c(C)s1
342079808	ZINC000625314162	ref	4.75	-35.4	1	271.401	1.665	2	3	6	C[N@H+](CCOC1CCOCC1)C[C@@H]1CCCC[C@@H]1O
365637782	ZINC000336554834	mid	5.68	-32.91	1	265.426	2.428	1	3	2	Cc1nc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)c(C)s1
365637791	ZINC000336554488	ref	7.41	-19.7	0	255.239	2.249	0	1	2	O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CC(F)C1
398245539	ZINC000650857173	ref	0.13	-9.22	0	275.349	1.225	3	4	7	CCc1nc(CNC(=O)N[C@@H](CO)CCF)cs1
365637797	ZINC000336554963	ref	6.06	-39.6	1	251.374	2.063	1	3	3	Cc1noc(C)c1CN1CC[N@@H+](C)C[C@@H]1C(C)C
365637806	ZINC000336554963	mid	6.51	-38.88	1	251.374	2.063	1	3	3	Cc1noc(C)c1CN1CC[N@H+](C)C[C@@H]1C(C)C
365637811	ZINC000336554963	mid	5.92	-36.33	1	251.374	2.063	1	3	3	Cc1noc(C)c1C[N@H+]1CCN(C)C[C@@H]1C(C)C
365637817	ZINC000336554963	mid	5.37	-34.78	1	251.374	2.063	1	3	3	Cc1noc(C)c1C[N@@H+]1CCN(C)C[C@@H]1C(C)C
168364867	ZINC000368496234	ref	10.58	-46.79	1	348.462	3.18	1	2	5	O=C(c1ccccc1F)N1CCC[N@H+](CCCC2CCOCC2)CC1
342079809	ZINC000625314162	mid	5.09	-34.96	1	271.401	1.665	2	3	6	C[N@@H+](CCOC1CCOCC1)C[C@@H]1CCCC[C@@H]1O
365637820	ZINC000336554963	high	4.05	-4.85	0	251.374	2.063	0	4	3	Cc1noc(C)c1CN1CCN(C)C[C@@H]1C(C)C
398245540	ZINC000349190574	ref	7.41	-94.08	2	242.407	1.98	2	1	8	C[C@@H]1CCCC[C@@H]1C[NH2+]CCOCC[NH+](C)C
349535102	ZINC000621243703	ref	3.29	-12.86	0	285.347	2.303	3	2	5	CC[C@H](NC(=O)c1ccc(C(N)=O)[nH]1)c1ccc(C)cc1
214187077	ZINC000337624813	mid	7.65	-35.36	1	284.363	3.032	1	3	3	C[C@@H]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2-n2cccn2)C1
365637747	ZINC000354711162	ref	1.25	-8.53	0	254.334	1.985	2	4	5	CC[C@@H](C)[C@H](C)NC(=O)Nc1cn(C)nc1OC
222608657	ZINC000283733580	ref	8.48	-42.31	1	313.401	1.355	2	2	5	C#CCN(C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1
398245542	ZINC000349190574	high	4.84	-36.76	1	242.407	1.98	1	2	8	C[C@@H]1CCCC[C@@H]1C[NH2+]CCOCCN(C)C
222608663	ZINC000283735380	ref	3.83	-8.49	0	310.737	1.387	1	4	4	C#CCN(C)C(=O)C(=O)Nc1cc(OC)c(Cl)cc1OC
136229281	ZINC000292817311	ref	4.41	-10.88	0	224.304	1.076	1	2	3	C#CCN(C)C(=O)NC[C@@H]1CCO[C@@H](C)C1
136229282	ZINC000184900292	ref	5.93	-8.4	0	228.295	2.503	1	3	3	CC#CCCn1c([C@H](C)O)nc2ccccc21
187169740	ZINC000125099021	ref	4.81	-11.56	0	292.379	3.022	2	3	6	CCCOc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCOC2)cc1
222608669	ZINC000283696194	ref	5.74	-10.0	0	324.352	1.754	2	3	3	C#Cc1cc(F)c(NC(=O)C(=O)NC[C@@H]2CCSC2)c(F)c1
342079810	ZINC000625313951	ref	6.85	-10.64	0	299.378	1.985	0	5	3	Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2cccnn2)n1
222608678	ZINC000283683874	ref	3.58	-15.63	0	300.362	1.074	3	2	4	C#CC[C@H](NC(=O)N1CC(NC(=O)NC)C1)c1ccccc1
342079811	ZINC000625313584	ref	4.15	-40.3	1	299.411	1.311	1	4	4	C1CC(OCC[N@@H+]2CCOCC3(CCOCC3)C2)CCO1
342079812	ZINC000625313584	mid	4.7	-35.64	1	299.411	1.311	1	4	4	C1CC(OCC[N@H+]2CCOCC3(CCOCC3)C2)CCO1
342079813	ZINC000625313584	high	2.75	-4.74	0	299.411	1.311	0	5	4	C1CC(OCCN2CCOCC3(CCOCC3)C2)CCO1
342079814	ZINC000625313986	ref	2.7	-36.47	1	250.342	1.398	3	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccccn1
342079815	ZINC000625313986	high	1.52	-7.12	0	250.342	1.398	3	4	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1ccccn1
342079816	ZINC000625314723	ref	4.94	-11.96	0	290.342	1.65	1	4	5	Cn1cc(CC[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)nn1
342079817	ZINC000625314723	mid	7.4	-45.94	1	290.342	1.65	1	4	5	Cn1cc(CC[N@H+]2CC[C@H](Oc3cccc(F)c3)C2)nn1
342079818	ZINC000625314723	high	4.94	-11.96	0	290.342	1.65	0	5	5	Cn1cc(CCN2CC[C@H](Oc3cccc(F)c3)C2)nn1
342079819	ZINC000625314725	ref	4.76	-11.36	0	290.342	1.65	1	4	5	Cn1cc(CC[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)nn1
214187079	ZINC000337626923	ref	2.19	-11.38	0	254.261	0.457	1	4	5	COC(=O)[C@H](c1ccc(F)cc1)N(C)CC(N)=O
398245541	ZINC000650858184	ref	6.7	-12.16	0	289.383	1.917	2	4	4	C[C@@H](NC(=O)NC1(C2CCC2)CC1)c1nnc2n1CCC2
398245543	ZINC000650856880	ref	5.14	-12.37	0	295.383	1.948	2	4	8	Cc1noc(C)c1CCNC(=O)N[C@H](C)COCC1CC1
178303158	ZINC000020596855	ref	2.39	-49.41	1	234.303	0.989	2	4	4	Cc1cc2ncc([C@@H](C)[NH2+]CCO)c(C)n2n1
214187082	ZINC000337625018	ref	9.48	-9.81	0	294.354	3.296	1	3	4	CC[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O
214187084	ZINC000337627643	ref	1.56	-13.7	0	275.255	2.265	2	4	4	Cc1cnc(NC(=O)N[C@@H]2CCC[C@@H]2OC(F)F)o1
214187087	ZINC000337624973	ref	6.84	-9.1	0	277.345	3.126	0	5	4	COC(=O)c1ccc(OCc2nc(C)sc2C)cc1
365637753	ZINC000354711426	ref	3.88	-44.94	1	295.427	1.33	3	2	6	C[C@@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1
178303160	ZINC000020596855	high	1.16	-11.69	0	234.303	0.989	2	5	4	Cc1cc2ncc([C@@H](C)NCCO)c(C)n2n1
178303163	ZINC000104281842	ref	7.34	-52.2	1	246.358	2.562	1	3	5	Cc1cc2ncc(C[NH2+][C@@H](C)CC(C)C)cn2n1
214187089	ZINC000337627996	ref	3.67	-44.01	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1
178303167	ZINC000104281837	ref	2.48	-51.55	1	234.303	0.898	2	4	4	Cc1cc2ncc(C[NH2+]C(C)(C)CO)cn2n1
214187092	ZINC000337627996	mid	2.83	-43.95	1	285.388	0.264	3	3	6	CN(CCOCCO)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1
214187095	ZINC000337625616	ref	4.79	-33.87	1	286.416	0.964	2	3	8	CC(C)[C@H](C(=O)N(C)CCOCCO)[NH+]1CCCCC1
214187097	ZINC000337625616	high	2.71	-8.82	0	286.416	0.964	1	4	8	CC(C)[C@H](C(=O)N(C)CCOCCO)N1CCCCC1
178303170	ZINC000104281837	high	1.25	-9.53	0	234.303	0.898	2	5	4	Cc1cc2ncc(CNC(C)(C)CO)cn2n1
178303173	ZINC000000368501	ref	6.45	-46.1	-1	236.296	2.356	1	4	3	Cc1cc2nc(SCC(=O)[O-])[nH]c2cc1C
365637762	ZINC000354710199	ref	-1.47	-9.24	0	284.36	1.347	3	5	5	COc1nn(C)cc1NC(=O)N[C@@H](CCO)C(C)(C)C
398245545	ZINC000650858469	ref	-1.91	-10.73	0	255.318	1.271	3	4	7	CCC[C@@H](C)[C@@H](CO)NC(=O)NCc1cocn1
187169741	ZINC000125101864	ref	3.29	-6.6	0	259.231	2.155	2	4	4	CC[C@@H](O)CNc1nc(C(F)(F)F)ccc1C#N
214187102	ZINC000337627828	ref	8.61	-8.77	0	250.386	3.007	1	1	4	CC(C)[C@H]1CCCN1C(=O)NCC1(C2CC2)CC1
259308365	ZINC000229282942	ref	0.65	-11.44	0	222.273	0.624	2	5	2	Cc1nsc(N[C@@H]2CNC(=O)C2)c1C#N
178303186	ZINC000096530276	ref	5.18	-12.43	0	217.272	1.759	1	3	0	Cc1cc2nc3n(c(=O)c2[nH]1)CCCCC3
136229284	ZINC000292839334	ref	0.4	-8.07	0	221.256	0.383	3	3	5	C=C[C@@H](CO)NC(=O)[C@@H](O)c1ccccc1
342079820	ZINC000625314725	mid	7.39	-46.37	1	290.342	1.65	1	4	5	Cn1cc(CC[N@H+]2CC[C@@H](Oc3cccc(F)c3)C2)nn1
136229285	ZINC000292829113	ref	5.04	-4.08	0	233.258	1.834	0	2	3	C=CCC(F)(F)C(=O)N1C[C@@H](C)O[C@H](C)C1
342079821	ZINC000625314725	high	4.76	-11.36	0	290.342	1.65	0	5	5	Cn1cc(CCN2CC[C@@H](Oc3cccc(F)c3)C2)nn1
349535103	ZINC000258901971	ref	1.48	-8.28	0	234.299	1.754	3	3	3	CC(C)(O)CNc1ccc2c(c1)CCC(=O)N2
342079822	ZINC000625313346	ref	1.18	-10.63	0	288.294	1.356	1	4	4	C[C@@H](O)CN1CCN(C(=O)c2coc(C(F)F)c2)CC1
282122952	ZINC000248971458	ref	5.22	-9.37	0	313.442	1.698	1	3	5	CCN(C)C(=O)[C@H](C)NC(=O)N(C)[C@H]1C[C@](C)(OC)C1(C)C
282123644	ZINC000151702840	ref	5.64	-10.13	0	321.764	2.426	0	5	5	Cc1noc([C@@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1
349535109	ZINC000258905405	ref	7.82	-131.1	2	246.398	2.822	2	0	5	CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])cc1
349535112	ZINC000258905405	mid	7.34	-35.97	1	246.398	2.822	2	1	5	CC(C)c1ccc(CC[NH2+][C@H]2CCC[C@H]2N)cc1
190493882	ZINC000269434565	ref	2.94	-7.22	0	297.449	3.466	1	6	6	CO[C@H](C)c1nc(CN[C@H](C)c2csc(C)n2)cs1
342079823	ZINC000625313346	low	3.49	-42.44	1	288.294	1.356	2	3	4	C[C@@H](O)C[NH+]1CCN(C(=O)c2coc(C(F)F)c2)CC1
342079824	ZINC000625313332	ref	6.26	-16.17	0	274.328	1.068	1	6	5	CCn1cc(C(=O)NCc2nncn2C2CC2)c(C)n1
342079825	ZINC000625313325	ref	5.38	-18.89	0	287.323	1.164	1	5	2	Cc1cnn([C@H]2CCCN(C(=O)c3cc(=O)[nH]cn3)C2)c1
342079826	ZINC000625313325	high	4.23	-43.62	-1	287.323	1.164	0	5	2	Cc1cnn([C@H]2CCCN(C(=O)c3cc(=O)[n-]cn3)C2)c1
342079827	ZINC000625312898	ref	5.96	-37.62	1	283.412	1.93	1	3	5	CCO[C@H](C[N@@H+]1CCOCC2(CCOCC2)C1)C1CC1
185089098	ZINC000096078893	ref	9.39	-52.59	1	272.392	2.715	1	1	1	CC[NH+]1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12
185089099	ZINC000096078893	high	7.0	-8.93	0	272.392	2.715	0	2	1	CCN1CCC2(CC1)CN(C(C)=O)c1ccc(C)cc12
349535114	ZINC000258905405	high	6.85	-39.85	1	246.398	2.822	2	1	5	CC(C)c1ccc(CCN[C@H]2CCC[C@H]2[NH3+])cc1
349535118	ZINC000602430159	ref	6.81	-48.94	1	232.327	2.764	2	2	6	C[C@H](CCC#N)C[N@H+](C)Cc1cccc(O)c1
187169742	ZINC000125098618	ref	5.97	-7.29	0	262.378	2.993	1	3	4	O=C(NCc1nc(C2CC2)cs1)[C@H]1CC=CCC1
136229286	ZINC000232467017	ref	-0.27	-10.36	0	209.192	0.098	2	3	6	CC(=O)CCC(=O)NC[C@@H](O)C(F)F
342079828	ZINC000625312898	mid	6.51	-33.42	1	283.412	1.93	1	3	5	CCO[C@H](C[N@H+]1CCOCC2(CCOCC2)C1)C1CC1
365637757	ZINC000623070846	ref	5.11	-47.61	1	322.434	1.616	2	4	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@H]2OCC[NH2+][C@H]2C1
365637763	ZINC000623070846	mid	3.83	-13.99	0	322.434	1.616	2	5	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@H]2OCCN[C@H]2C1
365637767	ZINC000623070549	ref	3.08	-46.84	1	319.361	1.052	2	4	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@@H]2OCC[NH2+][C@@H]2C1
365637772	ZINC000623070549	mid	1.78	-10.52	0	319.361	1.052	2	5	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@@H]2OCCN[C@@H]2C1
342079829	ZINC000625312967	ref	7.2	-14.24	0	266.345	1.434	1	5	8	CCC[C@@H](OCC)C(=O)NCc1nncn1C1CC1
365637778	ZINC000623070168	ref	5.01	-57.95	1	307.369	1.141	2	2	3	O=C(NCCc1ccc(F)cc1)N1CC[C@H]2OCC[NH2+][C@@H]2C1
230731769	ZINC000414310760	ref	7.4	-56.79	1	303.352	3.318	2	1	5	OC[C@H](C[NH2+][C@@H]1CCc2c(F)cccc21)c1ccc(F)cc1
365637780	ZINC000623070168	mid	3.71	-11.25	0	307.369	1.141	2	3	3	O=C(NCCc1ccc(F)cc1)N1CC[C@H]2OCCN[C@@H]2C1
365637789	ZINC000623070090	ref	6.4	-43.19	1	321.812	1.863	2	4	6	CC[NH2+][C@H](C)CNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365637799	ZINC000623070177	ref	4.61	-51.74	1	303.362	1.484	2	3	2	CC(=O)c1ccc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1
365637803	ZINC000623070177	mid	3.23	-16.15	0	303.362	1.484	2	4	2	CC(=O)c1ccc(NC(=O)N2CC[C@@H]3OCCN[C@H]3C2)cc1
230731784	ZINC000414308732	ref	5.75	-45.03	1	324.49	3.199	2	2	4	C[C@H]([NH2+][C@@H]1CCC[C@@H]1C(C)(C)C)c1ccc(S(N)(=O)=O)cc1
365637813	ZINC000623070228	ref	1.86	-57.48	1	301.354	1.001	2	5	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3cccnc3)C2)nn1
230731787	ZINC000414310758	ref	8.05	-47.28	1	303.352	3.318	2	1	5	OC[C@@H](C[NH2+][C@H]1CCc2c(F)cccc21)c1ccc(F)cc1
365637823	ZINC000623070228	high	1.46	-21.0	0	301.354	1.001	2	6	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3cccnc3)C2)nn1
365639323	ZINC000172937406	ref	7.5	-13.09	0	278.337	1.679	0	7	5	CCOC(=O)c1cccnc1SCc1ncnn1C
199273094	ZINC000181262696	ref	6.2	-12.51	0	314.385	1.427	1	3	4	O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)[C@@H]1OCCc2ccccc21
168364868	ZINC000368496234	mid	10.61	-46.52	1	348.462	3.18	1	2	5	O=C(c1ccccc1F)N1CCC[N@@H+](CCCC2CCOCC2)CC1
259308370	ZINC000526042848	ref	5.7	-9.33	0	208.305	2.397	1	2	6	C=C[C@](C)(CC)C(=O)N[C@@H](C#N)CCC
342079830	ZINC000625312971	ref	7.27	-13.79	0	266.345	1.434	1	5	8	CCC[C@H](OCC)C(=O)NCc1nncn1C1CC1
342079831	ZINC000625314207	ref	1.18	-5.65	0	251.33	1.486	1	4	4	COc1cncc(C[N@H+]2CCC[C@H](OC)CC2)n1
349535104	ZINC000093288946	ref	3.98	-15.88	0	293.302	0.832	2	5	6	Cn1cnc(CNC(=O)NCCOc2cccc(F)c2)n1
178303169	ZINC000237233189	ref	7.18	-50.03	1	373.497	1.688	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1
222608665	ZINC000170625191	ref	4.38	-12.17	0	356.357	1.348	2	4	6	O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)NCc1ccccn1
398245544	ZINC000349076182	ref	0.43	-26.57	0	245.238	0.818	3	3	3	O=C(NCc1ccc(=O)[nH]c1)c1cc[nH]c(=O)c1
214187096	ZINC000293600980	ref	6.36	-16.35	0	370.417	0.355	0	9	4	Cc1cnn(C[C@@H]2CN(C(=O)c3nnn(-c4ccn(C)n4)c3C)CCO2)c1
178303174	ZINC000237230991	ref	4.88	-37.4	1	358.53	1.999	2	3	6	CN1CCN([C@H](C(=O)N[C@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
398245547	ZINC000349100335	ref	3.27	-47.46	-1	243.303	0.764	2	4	4	C[C@@H]1CCC[C@@H](C(=O)NC[C@@](C)(O)C(=O)[O-])C1
178303178	ZINC000237230991	mid	7.23	-86.83	2	358.53	1.999	3	2	6	C[NH+]1CCN([C@H](C(=O)N[C@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
214187103	ZINC000293615487	ref	4.01	-22.52	0	364.427	0.508	1	6	4	C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)Cc2ccccc2O1
178303181	ZINC000237232174	ref	7.01	-60.15	1	359.47	1.673	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)C1
342079832	ZINC000625314207	mid	2.51	-41.06	1	251.33	1.486	1	4	4	COc1cncc(C[N@@H+]2CCC[C@H](OC)CC2)n1
197594099	ZINC000290094515	ref	1.6	-11.82	0	287.385	0.603	1	5	8	CCOCCS(=O)(=O)NCc1ncccc1N(C)C
178303185	ZINC000237230342	ref	9.3	-66.27	-1	357.41	1.889	1	6	6	COC[C@@](C)(NC(=O)c1nn(-c2ccccc2C)c2c1CCC2)C(=O)[O-]
342079833	ZINC000625314207	mid	1.18	-5.65	0	251.33	1.486	0	5	4	COc1cncc(CN2CCC[C@H](OC)CC2)n1
342079834	ZINC000625314197	ref	3.11	-4.12	0	257.374	1.539	1	3	5	CC(C)[C@@H]1C[N@H+](CCOC2CCOCC2)CCO1
342079835	ZINC000625314197	mid	5.01	-35.15	1	257.374	1.539	1	3	5	CC(C)[C@@H]1C[N@@H+](CCOC2CCOCC2)CCO1
342079836	ZINC000625314197	mid	3.11	-4.12	0	257.374	1.539	0	4	5	CC(C)[C@@H]1CN(CCOC2CCOCC2)CCO1
342079837	ZINC000625313984	ref	1.42	-36.55	1	250.342	1.398	3	3	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccccn1
342079838	ZINC000625313984	high	0.17	-7.55	0	250.342	1.398	3	4	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccccn1
342079839	ZINC000625312991	ref	5.11	-37.52	1	270.417	1.632	3	2	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCCC[C@@H]1O
342079840	ZINC000625312991	mid	5.11	-37.59	1	270.417	1.632	3	2	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCCC[C@@H]1O
342079841	ZINC000625312991	mid	3.2	-6.57	0	270.417	1.632	2	3	5	CN(CC(=O)NCC(C)(C)C)C[C@@H]1CCCC[C@@H]1O
365637759	ZINC000625082541	low	6.27	-36.04	1	318.421	2.075	2	4	6	O=C(NCC1CC1)[C@@H]1CCC[N@H+](Cc2noc(C3CCC3)n2)C1
290622715	ZINC000334871297	ref	5.65	-8.84	0	287.407	2.753	2	2	3	C[C@H]1CC[C@@H]1NC(=O)NC1CCN(c2ccccc2)CC1
290622722	ZINC000336630253	ref	6.84	-13.95	0	268.7	2.777	1	3	3	C[C@H]1CC[C@@H]1NC(=O)c1c(Cl)cccc1[N+](=O)[O-]
365637766	ZINC000625082541	low	6.65	-34.47	1	318.421	2.075	2	4	6	O=C(NCC1CC1)[C@@H]1CCC[N@@H+](Cc2noc(C3CCC3)n2)C1
342079842	ZINC000625313456	ref	2.69	-40.83	1	269.385	1.2	3	3	6	C[C@]1([NH2+]C[C@H](O)CC2(O)CCC2)CCO[C@@H]1C1CC1
365637773	ZINC000625083488	ref	5.68	-9.32	0	301.452	2.3	1	3	7	CCO[C@@H](CS(=O)(=O)N[C@@H]1CC2CCC1CC2)C1CC1
342079843	ZINC000625313858	ref	6.43	-15.17	0	291.395	1.934	0	4	3	C[C@@H]1O[C@H](C)[C@H](C(=O)N2CCC[C@H]2Cn2cccn2)[C@@H]1C
342079844	ZINC000625314269	ref	7.33	-9.61	0	260.345	1.924	1	5	6	CCCN(C)c1nnc(-c2cn[nH]c2)n1CC1CC1
342079845	ZINC000625314133	ref	3.09	-42.81	1	264.369	1.707	3	3	6	Cc1ccncc1[C@@H](C)[NH2+]C[C@H](O)CC1(O)CCC1
342079846	ZINC000625314133	high	2.08	-6.98	0	264.369	1.707	3	4	6	Cc1ccncc1[C@@H](C)NC[C@H](O)CC1(O)CCC1
365637779	ZINC000625083130	ref	2.85	-10.89	0	305.346	2.121	1	3	3	Cc1ccc(S(=O)(=O)NC2(C)CCOCC2)c(F)c1F
342079847	ZINC000046621168	ref	2.67	-19.07	0	298.342	1.991	3	3	6	NC(=O)Cc1ccc(NC(=O)CCc2ccccc2O)cc1
365637785	ZINC000625083130	high	3.18	-41.42	-1	305.346	2.121	0	3	3	Cc1ccc(S(=O)(=O)[N-]C2(C)CCOCC2)c(F)c1F
342079848	ZINC000625314200	ref	3.17	-4.44	0	257.374	1.539	1	3	5	CC(C)[C@H]1C[N@H+](CCOC2CCOCC2)CCO1
365637788	ZINC000625083065	ref	3.45	-11.33	0	319.467	2.209	1	4	5	CC(C)OC1CCC(NS(=O)(=O)[C@H]2COC(C)(C)C2)CC1
365637794	ZINC000625079758	ref	3.29	-9.73	0	300.424	2.288	0	4	7	CCC(C)(C)CS(=O)(=O)N(C)Cc1ccc(OC)nc1
185089101	ZINC000096076921	ref	4.23	-49.39	1	288.351	0.522	1	4	3	CN1CCN(CC#N)[C@]2(CC[N@H+](Cc3ccoc3)C2)C1=O
342079849	ZINC000625314200	mid	5.52	-35.9	1	257.374	1.539	1	3	5	CC(C)[C@H]1C[N@@H+](CCOC2CCOCC2)CCO1
185089103	ZINC000096076921	mid	4.31	-52.15	1	288.351	0.522	1	4	3	CN1CCN(CC#N)[C@]2(CC[N@@H+](Cc3ccoc3)C2)C1=O
185089105	ZINC000096076921	mid	1.78	-14.77	0	288.351	0.522	0	5	3	CN1CCN(CC#N)[C@]2(CCN(Cc3ccoc3)C2)C1=O
342079850	ZINC000625314200	mid	3.17	-4.44	0	257.374	1.539	0	4	5	CC(C)[C@H]1CN(CCOC2CCOCC2)CCO1
342079851	ZINC000625315027	ref	0.14	-12.23	0	285.706	1.025	3	3	5	NC(=O)C1(NCC(=O)Nc2ccc(Cl)c(F)c2)CC1
214187105	ZINC000278488805	ref	6.49	-44.04	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C
349535105	ZINC000594969865	ref	9.29	-12.19	0	288.351	2.969	1	5	6	CCn1ccc(NCc2ccc(C(C)C)c([N+](=O)[O-])c2)n1
222608666	ZINC000291776834	ref	7.15	-6.78	0	323.82	3.055	0	3	4	CO[C@@](C)(C(=O)N1CCO[C@H](c2ccccc2Cl)C1)C1CC1
214187109	ZINC000278488805	mid	6.22	-44.4	1	319.449	1.634	3	2	5	Cc1ccccc1CCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C
342079852	ZINC000625315027	low	1.38	-49.23	1	285.706	1.025	3	2	5	NC(=O)C1([NH2+]CC(=O)Nc2ccc(Cl)c(F)c2)CC1
342079853	ZINC000625313855	ref	3.01	-12.0	0	278.356	1.39	0	5	4	CC(C)N1CCN(Cc2noc(C3CCC3)n2)CC1=O
214187111	ZINC000278488805	mid	4.05	-10.06	0	319.449	1.634	2	3	5	Cc1ccccc1CCNC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C
214187115	ZINC000278488258	ref	7.79	-18.45	0	300.318	1.566	1	6	3	CN(C)c1cc(NC(=O)c2cccc3c2OCCO3)ncn1
282123645	ZINC000449156087	high	4.9	-11.91	0	274.368	2.164	1	5	7	CCn1nnc(C)c1CNC[C@H](C)Oc1ccccc1
342079854	ZINC000625313460	ref	1.39	-40.71	1	269.385	1.2	3	3	6	C[C@]1([NH2+]C[C@@H](O)CC2(O)CCC2)CCO[C@@H]1C1CC1
342079855	ZINC000625314821	ref	3.36	-41.02	1	251.33	1.342	0	5	4	COc1cncc(CN2CCO[C@@H](C(C)C)C2)n1
168366149	ZINC000043293120	ref	-0.97	-40.36	1	188.315	0.672	2	2	4	C[C@@H]([NH3+])[C@@H](N(C)CCO)C(C)(C)C
168366152	ZINC000043293120	mid	0.58	-100.12	2	188.315	0.672	3	1	4	C[C@@H]([NH3+])[C@@H]([N@H+](C)CCO)C(C)(C)C
342079856	ZINC000625314821	low	2.21	-38.48	1	251.33	1.342	1	4	4	COc1cncc(C[N@@H+]2CCO[C@@H](C(C)C)C2)n1
342079857	ZINC000625314821	low	3.36	-41.02	1	251.33	1.342	1	4	4	COc1cncc(C[N@H+]2CCO[C@@H](C(C)C)C2)n1
342079858	ZINC000625314208	ref	3.81	-43.19	1	276.38	1.788	3	3	7	O[C@@H](C[NH2+][C@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079859	ZINC000625314208	high	2.66	-6.66	0	276.38	1.788	3	4	7	O[C@@H](CN[C@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079860	ZINC000625314824	ref	2.85	-40.34	1	251.33	1.342	0	5	4	COc1cncc(CN2CCO[C@H](C(C)C)C2)n1
342079861	ZINC000625314824	low	2.65	-40.03	1	251.33	1.342	1	4	4	COc1cncc(C[N@@H+]2CCO[C@H](C(C)C)C2)n1
342079862	ZINC000625314824	low	2.85	-40.34	1	251.33	1.342	1	4	4	COc1cncc(C[N@H+]2CCO[C@H](C(C)C)C2)n1
342079863	ZINC000625313989	ref	2.69	-36.65	1	250.342	1.398	3	3	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccccn1
342079864	ZINC000625313989	high	1.51	-7.21	0	250.342	1.398	3	4	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccccn1
398245546	ZINC000650857950	ref	-1.25	-12.49	0	293.298	1.735	3	4	5	C[C@@H](O)[C@@H](NC(=O)NCc1cocn1)c1ccccc1F
290622718	ZINC000492523414	ref	1.91	-14.6	0	293.363	2.081	3	4	8	CCOc1cc(/C=C\C(=O)NCC[C@H](O)CC)ccc1O
290622720	ZINC000492523156	ref	6.76	-56.44	-1	298.298	2.197	1	5	6	O=C([O-])COc1ccc(NC(=O)/C=C\c2ccncc2)cc1
178303190	ZINC000237235859	ref	3.43	-42.99	1	359.43	1.068	2	6	9	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@H](C[NH3+])C3CC3)n2)cc1
178303196	ZINC000237233547	ref	6.66	-54.04	1	365.499	1.298	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C1
178303200	ZINC000237244532	ref	3.12	-54.31	1	366.487	1.154	2	3	4	CN(C1C[C@@H]2CC[C@H](C1)[NH2+]2)S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1
178303207	ZINC000237240621	ref	6.33	-54.93	1	365.499	1.298	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C1
178303212	ZINC000237239786	ref	7.12	-49.7	1	359.47	1.673	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)C1
178303216	ZINC000237239313	ref	3.01	-55.31	1	351.428	1.81	2	4	6	C[NH2+]Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1
178303221	ZINC000237239313	high	1.53	-14.91	0	351.428	1.81	2	5	6	CNCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)c1
212168816	ZINC000335491001	ref	6.81	-12.18	0	275.27	3.393	0	2	2	Cc1cc(C(=O)N2CCC[C@H](CC(F)(F)F)C2)co1
168366155	ZINC000043293120	mid	1.6	-99.38	2	188.315	0.672	3	1	4	C[C@@H]([NH3+])[C@@H]([N@@H+](C)CCO)C(C)(C)C
212168823	ZINC000335491937	ref	8.01	-11.69	0	273.336	2.006	0	4	3	Cc1ccoc1CN(C)C(=O)[C@@H]1CCc2cncn2C1
212168827	ZINC000335491937	low	8.53	-40.34	1	273.336	2.006	0	3	3	Cc1ccoc1CN(C)C(=O)[C@@H]1CCc2c[nH+]cn2C1
212168832	ZINC000335491476	ref	3.2	-10.88	0	255.314	2.155	2	3	2	C[C@@H]1C[C@H](NC(=O)c2c(O)cccc2F)CS1
212168842	ZINC000335491476	mid	3.98	-44.47	-1	255.314	2.155	1	3	2	C[C@@H]1C[C@H](NC(=O)c2c([O-])cccc2F)CS1
212168846	ZINC000335490833	ref	5.33	-14.81	0	283.397	0.897	1	3	3	CS[C@@H]1CCN(C(=O)N[C@@H]2CC(=O)N(C3CC3)C2)C1
212168851	ZINC000335491274	ref	5.57	-4.91	0	278.739	2.256	2	2	2	Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CC12CC2
212168853	ZINC000335490961	ref	3.83	-11.72	0	267.35	2.025	2	4	3	COc1ccc(O)cc1C(=O)N[C@H]1CS[C@@H](C)C1
212168858	ZINC000335490948	ref	6.74	-10.45	0	287.407	3.073	1	2	2	CC(C)(C)c1ccncc1CNC(=O)N1C[C@H]2CCC[C@@H]21
212168861	ZINC000335490819	ref	9.33	-12.07	0	271.335	3.371	0	1	3	C[C@H](C(=O)N1CC(CF)C1)c1ccc2ccccc2c1
199273095	ZINC000294963269	ref	3.83	-9.5	0	294.424	2.344	3	5	9	CCC[C@@H](CCO)CN[C@H](c1nc[nH]n1)c1cccs1
365637760	ZINC000274367133	ref	4.32	-37.61	1	287.367	1.519	0	6	3	C[C@@H](c1cnccn1)N1CCO[C@@](C)(c2cnn(C)c2)C1
365637764	ZINC000274367133	low	5.22	-38.55	1	287.367	1.519	1	5	3	C[C@@H](c1cnccn1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1
214187106	ZINC000337625076	ref	1.52	-9.77	0	289.426	2.171	2	5	4	CC[C@H]1CCCC[C@@H]1Nc1ncc(S(N)(=O)=O)s1
282122960	ZINC000246412189	ref	5.48	-48.63	1	303.41	0.938	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@H]3CCCC[C@@H]3[NH2+]1)CC2
282122962	ZINC000262649176	ref	4.67	-57.14	1	299.378	1.026	2	4	3	Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CCc3nc(C)nn3C2)cc1
349536148	ZINC000258973197	ref	9.25	-50.62	1	236.318	3.233	1	1	4	N#CC1(C[NH2+]Cc2cccc3ccccc23)CC1
365637770	ZINC000274367133	low	5.22	-38.55	1	287.367	1.519	1	5	3	C[C@@H](c1cnccn1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1
323004631	ZINC000531121158	ref	4.56	-9.41	0	208.261	1.956	1	3	6	C=CCCCC(=O)NCc1cc(C)on1
365637775	ZINC000274367144	ref	3.51	-12.89	0	291.395	1.989	3	2	7	CC(C)[C@H](NC(=O)NCC[C@H](C)c1ccccc1)C(N)=O
197594109	ZINC000162814437	ref	6.8	-22.88	0	321.402	2.157	1	5	3	CC1=C(C(=O)N2CCC[C@H]2C(=O)Nc2nccs2)CCCO1
199273096	ZINC000294963269	low	5.34	-44.03	1	294.424	2.344	3	4	9	CCC[C@@H](CCO)C[NH2+][C@H](c1nnc[nH]1)c1cccs1
398245548	ZINC000650858305	ref	2.07	-9.88	0	295.383	1.783	2	4	8	CCCOc1ccc(CNC(=O)N(C)[C@H](C)CCO)cn1
197594112	ZINC000162815348	ref	9.28	-23.23	0	319.434	2.55	1	6	3	CC(C)(C)c1nc(CC(=O)Nc2nnc3n2CCCC3)cs1
342079865	ZINC000625314160	ref	4.76	-35.52	1	271.401	1.665	2	3	6	C[N@H+](CCOC1CCOCC1)C[C@H]1CCCC[C@H]1O
365637783	ZINC000274366809	ref	2.89	-18.74	0	272.37	1.466	0	4	6	CCCc1nc(C(=O)N(C)[C@H](C)C[S@@](C)=O)co1
365637790	ZINC000274366428	ref	3.3	-12.31	0	294.38	1.653	2	5	2	O=C(Nc1cncnc1)N[C@@H]1CCO[C@]2(CCSC2)C1
398245550	ZINC000650858408	ref	2.38	-8.88	0	271.386	1.925	2	4	5	Cc1nc([C@H](C)NC(=O)N(C)[C@@H](C)CCO)cs1
214187108	ZINC000337627738	ref	5.04	-11.46	0	271.401	2.06	1	3	7	CN(CCOCCO)C(=O)C[C@H]1CCCC(C)(C)C1
342079866	ZINC000625314160	mid	4.74	-34.95	1	271.401	1.665	2	3	6	C[N@@H+](CCOC1CCOCC1)C[C@H]1CCCC[C@H]1O
342079867	ZINC000625313339	ref	4.64	-12.98	0	272.308	1.557	2	5	4	Cc1cccc(O)c1C(=O)NCc1nncn1C1CC1
342079868	ZINC000625313339	high	5.41	-50.01	-1	272.308	1.557	1	5	4	Cc1cccc([O-])c1C(=O)NCc1nncn1C1CC1
178303197	ZINC000004004217	ref	4.74	-22.39	1	237.306	3.169	2	2	0	Cc1cc2[nH+]c3cc(N)c(C)cc3cc2cc1N
365637771	ZINC000354711165	ref	1.22	-8.56	0	254.334	1.985	2	4	5	CC[C@H](C)[C@@H](C)NC(=O)Nc1cn(C)nc1OC
365637777	ZINC000354709898	ref	5.37	-10.92	0	294.395	1.76	1	4	8	CCc1c(C(=O)NCCCOC[C@@H]2CCOC2)ccn1C
349535106	ZINC000621243071	ref	5.36	-34.84	1	295.814	2.032	1	3	4	Clc1cncc(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1
178303202	ZINC000004004217	mid	4.36	-10.84	0	237.306	3.169	2	3	0	Cc1cc2nc3cc(N)c(C)cc3cc2cc1N
365637781	ZINC000354712181	ref	7.69	-44.76	1	270.373	1.128	1	3	5	CCN(CCC(=O)OC)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1
178303205	ZINC000274443004	ref	2.03	-59.51	1	247.302	0.423	2	4	3	Cc1cc2ncc(C(=O)N[C@H](C)C[NH3+])c(C)n2n1
178303211	ZINC000001393610	ref	5.44	-9.85	0	225.255	1.682	1	5	1	Cc1cc2ncc(-c3ccccn3)c(N)n2n1
178303214	ZINC000035602263	ref	2.95	-47.54	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)CO)c(C)n2n1
178303217	ZINC000035602263	high	1.91	-11.51	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@@H](C)N[C@H](C)CO)c(C)n2n1
365637792	ZINC000354712181	mid	7.29	-45.59	1	270.373	1.128	1	3	5	CCN(CCC(=O)OC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1
398245549	ZINC000349373503	ref	3.41	-37.76	1	213.321	1.116	2	2	3	C[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C[C@H]1O
297220752	ZINC000337859461	ref	2.56	-15.0	0	326.422	0.902	1	5	6	CCS(=O)(=O)N(C)CC(=O)Nc1ccc(N2CCCC2)cn1
342079869	ZINC000625312990	ref	4.98	-34.94	1	270.417	1.632	3	2	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCCC[C@H]1O
178303223	ZINC000051847921	ref	0.01	-48.42	1	205.261	1.172	3	2	2	Cc1cc2nc([C@@H]([NH3+])CO)[nH]c2cc1C
178303225	ZINC000051847921	mid	-0.34	-7.51	0	205.261	1.172	3	3	2	Cc1cc2nc([C@@H](N)CO)[nH]c2cc1C
214187112	ZINC000337625315	ref	6.11	-9.87	0	293.338	2.389	1	3	6	CC(=O)CCC(=O)NC[C@H]1CCO[C@@H]1c1ccc(F)cc1
259308373	ZINC000394133037	ref	4.95	-44.01	1	237.347	1.776	1	3	4	COC1CCC([NH2+]Cc2c(C)cnn2C)CC1
342079870	ZINC000625312990	mid	4.98	-36.87	1	270.417	1.632	3	2	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCCC[C@H]1O
342079871	ZINC000625312990	mid	3.05	-6.66	0	270.417	1.632	2	3	5	CN(CC(=O)NCC(C)(C)C)C[C@@H]1CCCC[C@H]1O
342079872	ZINC000625313488	ref	1.78	-43.62	1	263.341	1.532	1	4	5	COc1cncc(C[NH2+][C@]2(C)CCO[C@H]2C2CC2)n1
342079873	ZINC000625313488	mid	0.62	-6.31	0	263.341	1.532	1	5	5	COc1cncc(CN[C@]2(C)CCO[C@H]2C2CC2)n1
342079874	ZINC000623714661	ref	4.97	-15.1	0	272.308	1.631	1	5	4	COC1CC(C(=O)Nc2ccc(-n3cccn3)nc2)C1
230731802	ZINC000425469537	ref	3.77	-20.08	0	318.483	2.327	2	3	9	CC(C)CC1(CNC(=O)NCCCCS(C)(=O)=O)CCC1
342079875	ZINC000625314213	ref	4.04	-42.54	1	276.38	1.788	3	3	7	O[C@@H](C[NH2+][C@@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079876	ZINC000625314213	high	2.88	-6.1	0	276.38	1.788	3	4	7	O[C@@H](CN[C@@H](c1cccnc1)C1CC1)CC1(O)CCC1
197594106	ZINC000290094545	ref	4.83	-51.34	1	299.378	1.653	2	4	5	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(Cc2ccncc2)c1
349535107	ZINC000621243071	mid	3.11	-4.53	0	295.814	2.032	0	4	4	Clc1cncc(CN2CCN(C[C@H]3CCCO3)CC2)c1
349535113	ZINC000621242255	ref	6.77	-52.95	-1	258.277	2.087	0	5	2	Cc1ccc(-c2nc3n(c2C(=O)[O-])CCOC3)cc1
365637796	ZINC000274366333	ref	2.37	-11.45	0	250.302	1.415	2	4	3	CC1(CNC(=O)Nc2cncnc2)CCOCC1
365637802	ZINC000274365168	ref	6.92	-36.52	1	277.364	1.995	1	3	5	C[N@H+](CCC1OCCO1)C[C@H]1OCCc2ccccc21
365637810	ZINC000274365168	mid	6.91	-37.75	1	277.364	1.995	1	3	5	C[N@@H+](CCC1OCCO1)C[C@H]1OCCc2ccccc21
365637815	ZINC000274365168	high	4.5	-6.66	0	277.364	1.995	0	4	5	CN(CCC1OCCO1)C[C@H]1OCCc2ccccc21
365637819	ZINC000274366285	ref	2.88	-11.05	0	262.313	1.556	2	4	2	O=C(Nc1cncnc1)N[C@@H]1CCC[C@@H]2OCC[C@H]21
136229287	ZINC000232472606	ref	4.02	-44.88	1	217.272	1.849	2	3	3	c1cc2occc2c(NC[C@H]2CC[NH2+]C2)n1
365637827	ZINC000274366755	ref	2.9	-59.1	-1	264.281	1.059	3	4	5	CCC(=O)CNC(=O)c1cc(NC(C)=O)ccc1O
199273097	ZINC000181260308	ref	7.09	-13.62	0	319.323	3.173	1	3	9	COCCCOCC(=O)Nc1ccccc1CCC(F)(F)F
365637831	ZINC000274366755	high	2.9	-59.1	-1	264.281	1.059	2	4	5	CCC(=O)CNC(=O)c1cc(NC(C)=O)ccc1[O-]
349535117	ZINC000621242185	ref	8.63	-57.2	-1	297.301	2.406	1	3	7	O=C(C[C@H](C(=O)[O-])c1ccccc1)NCC[C@H]1CC1(F)F
365637836	ZINC000274364670	ref	3.74	-14.99	0	298.408	1.708	0	4	6	CC(C)Oc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)ccn1
365637843	ZINC000274367369	ref	5.05	-42.91	1	297.424	1.231	2	3	4	CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)c1ccccc1N
365637850	ZINC000274367369	mid	2.18	-10.33	0	297.424	1.231	2	3	4	CN(C[C@H]1CCC[N@@H+](C)C1)S(=O)(=O)c1ccccc1N
365637855	ZINC000274367369	high	2.18	-10.33	0	297.424	1.231	1	4	4	CN1CCC[C@H](CN(C)S(=O)(=O)c2ccccc2N)C1
349535122	ZINC000621243040	ref	6.41	-8.26	0	291.326	2.413	0	5	3	C[C@@H]1CN(c2noc(Cc3ccc(F)cc3)n2)C[C@@H](C)O1
365637861	ZINC000274366420	ref	4.57	-9.5	0	278.312	1.474	2	5	4	O=C(NCC(=O)OC1CCCCC1)Nc1cncnc1
349535108	ZINC000594968982	ref	6.13	-61.98	1	287.375	2.744	1	1	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(F)c2)C1
365637798	ZINC000354710376	ref	6.87	-9.95	0	290.363	1.947	1	4	7	C/C=C/C[C@@H](NC(=O)Cc1cccnc1C)C(=O)OCC
342079877	ZINC000625313961	ref	7.0	-12.13	0	299.378	1.985	0	5	3	Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cccnn2)n1
342079878	ZINC000625314231	ref	3.84	-11.57	0	265.386	1.55	1	5	6	C[C@H](C[N@H+](C)CCc1cn(C)nn1)c1nccs1
214187113	ZINC000293615487	high	3.62	-57.83	-1	364.427	0.508	0	6	4	C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)Cc2ccccc2O1
214187117	ZINC000293609476	ref	2.56	-78.07	0	356.426	0.909	3	3	2	C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)C1
197594113	ZINC000290096661	ref	10.31	-13.7	0	264.76	2.974	0	4	3	Cc1nnc(N(C)[C@H](C)c2ccccc2Cl)n1C
222608696	ZINC000283697164	ref	4.61	-11.62	0	324.764	1.395	1	4	6	C#CCN(C)C(=O)C(=O)Nc1ccc(OCCOC)c(Cl)c1
222608712	ZINC000283721415	ref	8.53	-25.78	0	324.45	1.745	0	6	5	C=C(C)Cn1c(C2CCC2)nnc1N1CC[C@@H](S(C)(=O)=O)C1
342079879	ZINC000625314231	mid	5.91	-44.52	1	265.386	1.55	1	5	6	C[C@H](C[N@@H+](C)CCc1cn(C)nn1)c1nccs1
342079880	ZINC000625314231	high	3.84	-11.57	0	265.386	1.55	0	6	6	C[C@H](CN(C)CCc1cn(C)nn1)c1nccs1
342079881	ZINC000625314214	ref	2.76	-42.51	1	276.38	1.788	3	3	7	O[C@H](C[NH2+][C@@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079882	ZINC000625314214	high	1.64	-6.7	0	276.38	1.788	3	4	7	O[C@H](CN[C@@H](c1cccnc1)C1CC1)CC1(O)CCC1
342079883	ZINC000625314144	ref	-0.38	-11.64	0	275.283	1.588	2	4	5	NC(=O)C1(NCc2coc(-c3ccccc3F)n2)CC1
342079884	ZINC000625314144	low	0.89	-44.81	1	275.283	1.588	2	3	5	NC(=O)C1([NH2+]Cc2coc(-c3ccccc3F)n2)CC1
342079885	ZINC000625313002	ref	8.23	-9.94	0	272.356	1.924	1	5	6	CN(CC1CC1)c1nnc(-c2cn[nH]c2)n1CC1CC1
342079886	ZINC000625313781	ref	6.75	-15.69	0	277.368	1.78	0	4	3	COC1CC(C(=O)N2CCC[C@H](n3ccnc3C)C2)C1
342079887	ZINC000625313781	mid	7.22	-35.4	1	277.368	1.78	0	3	3	COC1CC(C(=O)N2CCC[C@H](n3cc[nH+]c3C)C2)C1
342079888	ZINC000625313452	ref	1.75	-38.02	1	269.385	1.2	3	3	6	C[C@]1([NH2+]C[C@@H](O)CC2(O)CCC2)CCO[C@H]1C1CC1
342079889	ZINC000625314157	ref	4.59	-33.71	1	271.401	1.665	2	3	6	C[N@H+](CCOC1CCOCC1)C[C@H]1CCCC[C@@H]1O
342079890	ZINC000625314157	mid	4.61	-33.63	1	271.401	1.665	2	3	6	C[N@@H+](CCOC1CCOCC1)C[C@H]1CCCC[C@@H]1O
342079891	ZINC000625313988	ref	1.43	-36.48	1	250.342	1.398	3	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccccn1
230731808	ZINC000450412215	ref	4.92	-11.18	0	305.296	1.626	1	3	6	CO[C@H](Cc1ccccc1)C(=O)N(C)C[C@H](O)C(F)(F)F
365637800	ZINC000625080637	ref	3.83	-16.33	0	305.353	2.391	0	4	6	CCN(CC(=O)N(C)C)Cc1coc(-c2ccccc2F)n1
342079892	ZINC000625313988	high	0.17	-7.6	0	250.342	1.398	3	4	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccccn1
365637805	ZINC000625080637	low	6.3	-39.02	1	305.353	2.391	1	3	6	CC[N@H+](CC(=O)N(C)C)Cc1coc(-c2ccccc2F)n1
365637809	ZINC000625080637	low	6.31	-38.93	1	305.353	2.391	1	3	6	CC[N@@H+](CC(=O)N(C)C)Cc1coc(-c2ccccc2F)n1
365637816	ZINC000625082304	ref	6.4	-10.13	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1CC[C@H](C)C[C@@H](C)C1)C1CC1
199273098	ZINC000294963269	high	5.67	-12.68	0	294.424	2.344	3	5	9	CCC[C@@H](CCO)CN[C@H](c1nnc[nH]1)c1cccs1
199273100	ZINC000294963050	ref	6.1	-42.34	1	288.435	3.167	2	2	4	Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1
365637822	ZINC000625082480	ref	2.25	-9.85	0	319.38	2.245	0	5	6	COCCN1CCN(Cc2coc(-c3ccccc3F)n2)CC1
365637828	ZINC000625082480	mid	4.53	-37.16	1	319.38	2.245	1	4	6	COCC[NH+]1CCN(Cc2coc(-c3ccccc3F)n2)CC1
365637834	ZINC000625081223	ref	8.27	-41.38	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@H](C)O1
365637838	ZINC000625081223	mid	7.94	-43.43	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@H](C)O1
365639326	ZINC000354711923	ref	2.77	-17.29	0	272.707	1.402	2	2	5	C[C@H](CC(N)=O)NC(=O)Cc1cccc(Cl)c1F
398245551	ZINC000349373503	mid	3.5	-40.83	1	213.321	1.116	2	2	3	C[C@@H]1CC[N@@H+](CC[C@H]2CCOC2)C[C@H]1O
199273102	ZINC000294964074	ref	3.33	-20.64	0	290.201	-0.903	1	6	3	Cn1cc(C#N)c(=O)n(CC(=O)NCC(F)(F)F)c1=O
199273103	ZINC000294963880	ref	7.78	-7.38	0	275.274	3.193	2	2	4	CC(C)(CC(=O)Nc1nc(C(F)(F)F)c[nH]1)C1CC1
230731836	ZINC000450413181	ref	3.81	-10.01	0	317.13	1.011	1	3	2	CN(c1ccc(I)cn1)[C@@H]1CCNC1=O
342079893	ZINC000625313782	ref	6.73	-15.59	0	277.368	1.78	0	4	3	COC1CC(C(=O)N2CCC[C@@H](n3ccnc3C)C2)C1
342079894	ZINC000625313782	mid	7.21	-34.91	1	277.368	1.78	0	3	3	COC1CC(C(=O)N2CCC[C@@H](n3cc[nH+]c3C)C2)C1
342079895	ZINC000625314150	ref	1.81	-42.84	1	264.369	1.707	3	3	6	Cc1ccncc1[C@@H](C)[NH2+]C[C@@H](O)CC1(O)CCC1
342079896	ZINC000625314150	high	0.74	-7.43	0	264.369	1.707	3	4	6	Cc1ccncc1[C@@H](C)NC[C@@H](O)CC1(O)CCC1
342079897	ZINC000625315740	ref	7.51	-15.65	0	279.384	1.935	0	4	6	CCO[C@@H](C(=O)N1CCC[C@H]1Cn1cccn1)C(C)C
214187114	ZINC000337624329	ref	1.49	-11.36	0	271.361	0.408	2	3	4	C[C@H](O)C[C@H]1CCCN1C(=O)N[C@@H](C)C(=O)N(C)C
214187119	ZINC000337626486	ref	8.67	-15.92	0	273.384	2.365	1	5	4	C[C@@H]1CCCC[C@@H]1CCNc1ncnc2nn(C)cc12
365637804	ZINC000354710257	ref	4.19	-7.96	0	259.353	1.928	0	4	3	Cc1ncc(CN2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1
365637808	ZINC000354710257	low	6.78	-38.75	1	259.353	1.928	1	3	3	Cc1ncc(C[N@@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1
299072262	ZINC000354603491	low	1.96	-25.26	0	328.346	0.998	2	6	4	O=C(NC[C@H]1CCCCS1(=O)=O)c1cc(O)ccc1[N+](=O)[O-]
365637814	ZINC000354710257	low	7.21	-40.91	1	259.353	1.928	1	3	3	Cc1ncc(C[N@H+]2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1
214187124	ZINC000337625911	ref	2.66	-15.79	0	295.701	2.213	2	3	3	Cc1cc(C(=O)NCc2ccc(F)c(Cl)c2)[nH]c(=O)n1
398245552	ZINC000650857555	ref	5.31	-15.27	0	267.369	1.731	1	3	6	C=CCCOCC(=O)N1CCC[C@@H]1[C@@H]1CCC[C@H]1O
214187127	ZINC000337625911	high	1.57	-42.36	-1	295.701	2.213	1	3	3	Cc1cc(C(=O)NCc2ccc(F)c(Cl)c2)[n-]c(=O)n1
398245554	ZINC000650858081	ref	0.94	-10.94	0	253.302	1.385	1	4	4	CCN(C(=O)NCc1cocn1)[C@@H]1CCCOC1
214187131	ZINC000337625338	ref	2.19	-15.25	0	295.343	0.124	3	6	4	Cc1cc(N(C)C)nc(NC(=O)NC[C@@]2(O)CCOC2)n1
214187134	ZINC000337627968	ref	8.3	-10.46	0	299.252	3.08	2	3	4	CCOc1ccccc1C(=O)Nc1nc(C(F)(F)F)c[nH]1
214187137	ZINC000337627968	mid	8.24	-9.76	0	299.252	3.08	2	3	4	CCOc1ccccc1C(=O)Nc1ncc(C(F)(F)F)[nH]1
214187140	ZINC000337627923	ref	7.38	-40.85	1	250.317	2.414	2	1	3	Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1F
342079898	ZINC000625314647	ref	1.35	-46.27	1	268.332	1.537	3	3	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cncc(F)c1
214187143	ZINC000337627923	mid	7.37	-42.31	1	250.317	2.414	2	1	3	Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1F
214187146	ZINC000337627923	mid	5.0	-7.84	0	250.317	2.414	1	2	3	Cc1ccc(NC(=O)CN2CC[C@H](C)C2)cc1F
342079899	ZINC000625314647	high	0.19	-6.36	0	268.332	1.537	3	4	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1cncc(F)c1
214187148	ZINC000337624427	ref	10.22	-9.23	0	296.345	3.448	0	3	3	CN(C[C@H]1OCCc2ccccc21)c1cccc(F)c1C#N
214187152	ZINC000337625358	ref	9.07	-37.34	1	290.407	2.386	1	2	6	CCOc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1
349535110	ZINC000093286232	ref	3.96	-9.26	0	271.361	0.531	1	3	5	COCCN1CCN(C(=O)N[C@H](C)C(C)C)CC1=O
349535116	ZINC000093262218	ref	4.49	-46.98	1	295.387	0.679	3	4	4	C[C@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1O
342079900	ZINC000625314175	ref	8.16	-13.85	0	274.368	1.859	0	4	2	Cc1nc(C)n([C@H]2CCCN(C(=O)C34CC(C3)C4)C2)n1
342079901	ZINC000625315742	ref	7.5	-12.64	0	279.384	1.935	0	4	6	CCO[C@@H](C(=O)N1CCC[C@@H]1Cn1cccn1)C(C)C
214187116	ZINC000053544284	ref	10.94	-20.31	0	346.394	2.494	1	6	5	C[C@H](C(=O)NCc1ccc(-n2cncn2)cc1)n1cnc2ccccc21
214187122	ZINC000053528135	ref	8.41	-14.05	0	333.804	3.153	2	5	5	O=C(CCc1ccc(Cl)s1)Nc1n[nH]c(-c2ccccn2)n1
342079902	ZINC000625313625	ref	2.74	-51.0	1	252.289	1.121	2	2	6	CO[C@H](C[NH2+]C1(C(N)=O)CC1)c1ccc(F)cc1
342079903	ZINC000625313625	mid	1.56	-8.89	0	252.289	1.121	2	3	6	CO[C@H](CNC1(C(N)=O)CC1)c1ccc(F)cc1
214187125	ZINC000053528135	mid	8.41	-13.39	0	333.804	3.153	2	5	5	O=C(CCc1ccc(Cl)s1)Nc1nc(-c2ccccn2)n[nH]1
214187130	ZINC000053528135	high	8.34	-52.2	-1	333.804	3.153	1	5	5	O=C(CCc1ccc(Cl)s1)Nc1nnc(-c2ccccn2)[n-]1
342079904	ZINC000625312984	ref	1.61	-9.43	0	288.294	1.356	1	4	4	C[C@H](O)CN1CCN(C(=O)c2ccc(C(F)F)o2)CC1
343994046	ZINC000079913082	ref	4.91	-12.24	0	292.379	2.35	2	3	8	CN(Cc1cccc(O)c1)C(=O)NCCCOCC1CC1
365637812	ZINC000576605268	ref	5.67	-43.2	1	228.336	1.012	2	2	6	CCO[C@@H](CC)C(=O)N[C@H]1CC[N@H+](CC)C1
342079905	ZINC000625312984	low	3.78	-44.22	1	288.294	1.356	2	3	4	C[C@H](O)C[NH+]1CCN(C(=O)c2ccc(C(F)F)o2)CC1
222608697	ZINC000291776735	ref	4.74	-11.82	0	323.308	3.043	0	3	5	CCN(CC(F)F)S(=O)(=O)c1ccc(C(F)(F)F)s1
342079906	ZINC000625314152	ref	4.61	-33.74	1	271.401	1.665	2	3	6	C[N@H+](CCOC1CCOCC1)C[C@@H]1CCCC[C@H]1O
342079907	ZINC000625314152	mid	4.95	-33.82	1	271.401	1.665	2	3	6	C[N@@H+](CCOC1CCOCC1)C[C@@H]1CCCC[C@H]1O
259308375	ZINC000394135726	ref	4.47	-9.06	0	249.354	3.255	2	2	2	Cc1ccc(C(=O)NC(C)(C)C(C)(C)C)cc1O
342088399	ZINC000121530984	ref	7.5	-15.0	0	287.363	1.856	1	4	7	Cc1cccc(OCCC(=O)NCCc2cncn2C)c1
342088400	ZINC000121530984	low	8.01	-39.82	1	287.363	1.856	1	3	7	Cc1cccc(OCCC(=O)NCCc2c[nH+]cn2C)c1
342088401	ZINC000121584553	ref	4.45	-46.74	1	270.76	1.835	2	2	8	C[NH2+]CCCNC(=O)CCOc1cccc(Cl)c1
342088402	ZINC000121502902	ref	5.46	-41.04	1	276.384	1.497	1	3	2	Cc1cnn([C@H]2CCCN(C(=O)[C@]3(C)CCC[NH2+]3)C2)c1
342088403	ZINC000121503033	ref	5.39	-42.16	1	276.384	1.497	1	3	2	Cc1cnn([C@@H]2CCCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)c1
342088404	ZINC000121507299	ref	-0.54	-4.64	0	295.223	1.545	2	3	3	O[C@@H](CN1CCC([C@@H](O)C(F)(F)F)CC1)C(F)(F)F
136229288	ZINC000184900786	ref	7.11	-7.94	0	230.246	1.893	0	4	3	CC#CCCn1nnc(-c2cccc(F)c2)n1
282122963	ZINC000330790136	high	5.27	-9.83	0	340.493	1.519	0	6	5	CN(C)C[C@@H]1CN(C(=O)CSc2nccn2C(C)(C)C)CCO1
185089109	ZINC000096077981	ref	7.7	-37.79	1	289.423	2.742	1	3	4	Cc1noc(C)c1CN1CCC2(CC1)CC[N@@H+]2CC1CC1
197594119	ZINC000290096536	ref	6.24	-9.52	0	282.409	2.587	1	3	4	CCN(CC)C(=O)NC[C@]1(C)OCCc2sccc21
136229289	ZINC000292813884	ref	7.58	-3.97	0	205.301	2.716	0	2	7	C=CCOCCN(CC)c1ccccc1
197594121	ZINC000290094369	ref	4.46	-40.11	1	292.379	1.037	1	3	6	CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1
197594123	ZINC000290094369	mid	3.44	-10.25	0	292.379	1.037	1	4	6	CO[C@H]1COC[C@@H]1N[C@@H](C)C(=O)N(C)Cc1ccccc1
342079908	ZINC000625316926	ref	1.02	-39.02	1	285.771	1.923	3	3	5	OC[C@@H]([NH2+]Cc1cc(O)ccc1Cl)C1CCOCC1
342079909	ZINC000625316926	high	0.13	-5.81	0	285.771	1.923	3	4	5	OC[C@@H](NCc1cc(O)ccc1Cl)C1CCOCC1
342079910	ZINC000625315441	ref	5.12	-37.24	1	269.385	1.729	1	3	6	C[C@@]1([NH2+]CCOC2CCOCC2)CCO[C@@H]1C1CC1
178305447	ZINC000037490378	ref	6.23	-9.35	0	230.311	2.739	1	3	1	Cc1cc2ncn([C@H]3CCC[C@H]3O)c2cc1C
222609444	ZINC000283780207	ref	4.88	-6.22	0	304.39	1.963	2	3	9	C=CCCOCCNC(=O)C(=O)N[C@H](CC)c1ccccc1
282122965	ZINC000361758468	ref	5.35	-38.52	1	268.279	1.118	1	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CCC(F)(F)F)CCO1
136229290	ZINC000232467606	ref	4.13	-12.13	0	209.249	1.036	1	4	4	CC(=O)CCC(=O)Nc1cc(C)nn1C
136229291	ZINC000232466787	ref	3.24	-9.67	0	229.173	1.372	1	2	6	CC(=O)CCC(=O)NCC(F)(F)C(F)F
166172838	ZINC000032009136	ref	3.94	-44.27	-1	195.218	1.352	0	4	6	C=CCN(CC(=O)[O-])Cc1ccco1
342079911	ZINC000625316047	ref	6.04	-48.44	1	297.443	1.528	3	2	5	CC(=O)NC1CCC([N@H+](C)CC(=O)NCC(C)(C)C)CC1
342079912	ZINC000625316047	mid	6.05	-46.97	1	297.443	1.528	3	2	5	CC(=O)NC1CCC([N@@H+](C)CC(=O)NCC(C)(C)C)CC1
342079913	ZINC000625316047	high	3.69	-13.27	0	297.443	1.528	2	3	5	CC(=O)NC1CCC(N(C)CC(=O)NCC(C)(C)C)CC1
342079914	ZINC000625315345	ref	5.99	-12.42	0	285.351	1.767	0	5	2	Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cccnn3)C2)n1
342079915	ZINC000625316585	ref	3.02	-10.24	0	290.323	1.665	0	6	3	COc1nc(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)co1
342079916	ZINC000625316379	ref	3.26	-44.25	1	283.343	1.644	2	3	7	OC[C@H]([NH2+]CCOC1CCOCC1)c1ccc(F)cc1
342079917	ZINC000625316379	high	1.98	-7.01	0	283.343	1.644	2	4	7	OC[C@H](NCCOC1CCOCC1)c1ccc(F)cc1
282122964	ZINC000262649176	mid	4.35	-15.54	0	299.378	1.026	2	5	3	Cc1ccc([C@@H](N)C(=O)N[C@@H]2CCc3nc(C)nn3C2)cc1
342596511	ZINC000616976476	ref	7.89	-16.4	0	267.373	1.533	0	2	6	CC[C@H](C)N(CC)C(=O)CN1CCN(C2CC2)C1=O
365637818	ZINC000576605268	mid	5.76	-43.59	1	228.336	1.012	2	2	6	CCO[C@@H](CC)C(=O)N[C@H]1CC[N@@H+](CC)C1
365637824	ZINC000576605268	high	3.28	-8.37	0	228.336	1.012	1	3	6	CCO[C@@H](CC)C(=O)N[C@H]1CCN(CC)C1
365637833	ZINC000576601848	ref	10.8	-43.13	1	248.414	3.827	1	1	4	CC(C)CCC1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1
342596512	ZINC000616972647	ref	3.96	-19.26	0	278.739	1.448	2	2	3	O=C1NCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1
365637839	ZINC000175975726	ref	8.46	-43.15	1	236.359	1.585	1	1	3	C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)CC1
365637849	ZINC000576604775	ref	3.68	-9.51	0	234.299	1.607	1	3	4	COCC1(NC(=O)c2ccc(C)c(C)n2)CC1
365637856	ZINC000576605724	ref	8.5	-40.2	1	247.382	3.052	1	1	8	COC[C@@H](C)C[NH2+]C[C@H](c1ccccc1)C1CC1
178303226	ZINC000237241297	ref	2.84	-48.72	1	373.425	1.827	2	3	4	CC(=O)Nc1cc(F)c(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)c(F)c1
365637866	ZINC000576605483	ref	7.37	-16.43	0	243.314	1.717	2	3	3	c1nc2[nH][nH]cc-2c(=N[C@H](C2CCC2)C2CC2)n1
342596513	ZINC000616972362	ref	2.95	-17.67	0	284.768	1.68	2	3	3	CSc1ccc(Cl)c(C(=O)N[C@@H]2CCNC2=O)c1
178303230	ZINC000237230297	ref	3.79	-51.24	1	374.529	1.332	1	4	7	CN1CCN([C@H](C(=O)N2CCC(OCCC[NH3+])CC2)c2ccccc2)CC1
365637872	ZINC000576605483	high	7.21	-31.26	-1	243.314	1.717	1	3	3	c1nc2[nH][n-]cc-2c(=N[C@H](C2CCC2)C2CC2)n1
365637879	ZINC000576604504	ref	4.7	-8.3	0	234.299	3.653	0	4	2	CC(C)(C)C(C)(C)c1nc(-c2ccco2)no1
365637889	ZINC000576605723	ref	8.5	-40.16	1	247.382	3.052	1	1	8	COC[C@H](C)C[NH2+]C[C@H](c1ccccc1)C1CC1
178303233	ZINC000237230297	mid	6.16	-89.55	2	374.529	1.332	2	3	7	C[NH+]1CCN([C@H](C(=O)N2CCC(OCCC[NH3+])CC2)c2ccccc2)CC1
178303236	ZINC000237230297	low	5.83	-84.58	2	374.529	1.332	2	3	7	CN1CC[NH+]([C@H](C(=O)N2CCC(OCCC[NH3+])CC2)c2ccccc2)CC1
178303240	ZINC000237227490	ref	2.32	-53.8	1	363.277	1.96	1	3	4	COc1cc(S(=O)(=O)N2CCCC[C@@H]2C[NH3+])ccc1Br
282122966	ZINC000245381966	ref	5.94	-15.55	0	349.479	1.151	1	6	4	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1)CC2
342596514	ZINC000616972754	ref	4.25	-23.68	0	284.315	1.223	2	3	4	O=C(COc1ccc2ccccc2c1)N[C@H]1CCNC1=O
342596515	ZINC000616972903	ref	2.05	-15.78	0	274.654	1.237	2	2	2	O=C(N[C@@H]1CCNC1=O)c1cc(F)c(F)cc1Cl
365637821	ZINC000354710423	ref	4.38	-11.18	0	255.358	1.734	1	3	8	CCOC1CC(CCNC(=O)C2(COC)CC2)C1
365637829	ZINC000354711218	ref	3.58	-8.61	0	254.374	1.117	1	3	6	C[C@H]1C[C@H]1CC(=O)NC[C@@H](C)CN1CCOCC1
365637835	ZINC000354711218	mid	5.8	-43.23	1	254.374	1.117	2	2	6	C[C@H]1C[C@H]1CC(=O)NC[C@@H](C)C[NH+]1CCOCC1
398245553	ZINC000349217426	ref	6.86	-10.86	0	227.348	2.45	0	2	3	CC[C@]1(C)CCN(C(=O)COC(C)(C)C)C1
365637842	ZINC000354712178	ref	7.37	-44.18	1	270.373	1.128	1	3	5	CCN(CCC(=O)OC)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1
365637846	ZINC000354712178	mid	7.46	-38.15	1	270.373	1.128	1	3	5	CCN(CCC(=O)OC)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1
365637852	ZINC000354710124	ref	4.26	-20.98	0	261.387	1.314	0	3	3	CCS(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)[C@H]1C
365637858	ZINC000354710260	ref	4.79	-7.41	0	259.353	1.928	0	4	3	Cc1ncc(CN2C[C@]3(CCCO3)[C@H]2C2CC2)cn1
398245555	ZINC000095016320	ref	4.65	-7.44	0	235.287	1.03	0	5	2	COC(=O)[C@@H]1CN(c2ccnc(C)n2)C[C@H]1C
185091453	ZINC000096081397	mid	5.61	-31.32	1	289.423	1.79	1	3	5	COCCN1CC[C@@H]2C[N@H+](Cc3cccc(C)n3)C[C@@H]2C1
365637863	ZINC000354710260	low	7.54	-41.26	1	259.353	1.928	1	3	3	Cc1ncc(C[N@@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1
365637868	ZINC000354710260	low	6.91	-36.96	1	259.353	1.928	1	3	3	Cc1ncc(C[N@H+]2C[C@]3(CCCO3)[C@H]2C2CC2)cn1
342079918	ZINC000625316776	ref	0.03	-7.27	0	281.356	1.214	2	6	6	OC[C@@H](NCc1noc(C2CCC2)n1)C1CCOCC1
365637873	ZINC000354710148	ref	4.94	-41.59	1	270.417	1.632	3	2	6	CC(C)C[C@H](C)CC(=O)NCC1(O)CC[NH+](C)CC1
365637880	ZINC000354710148	high	2.57	-8.04	0	270.417	1.632	2	3	6	CC(C)C[C@H](C)CC(=O)NCC1(O)CCN(C)CC1
365637885	ZINC000354710092	ref	3.97	-22.31	0	295.404	1.826	1	3	5	COc1ccc([C@H](C)CC(=O)N[C@H]2CC[S@](=O)C2)cc1
365637893	ZINC000354710308	ref	0.58	-13.05	0	275.312	1.188	2	5	5	COc1nn(C)cc1NC(=O)NCCc1ccccn1
365637902	ZINC000354710374	ref	6.88	-10.0	0	290.363	1.947	1	4	7	C/C=C\C[C@H](NC(=O)Cc1cccnc1C)C(=O)OCC
342079919	ZINC000625316776	low	0.91	-38.18	1	281.356	1.214	2	5	6	OC[C@@H]([NH2+]Cc1noc(C2CCC2)n1)C1CCOCC1
197594132	ZINC000162811911	ref	6.31	-38.0	1	302.603	2.296	1	2	1	Clc1cnc(N2CC[C@H]3C[NH2+]C[C@H]32)c(Br)c1
365637912	ZINC000354710421	ref	1.02	-9.6	0	268.317	1.071	1	5	3	COc1nn(C)cc1NC(=O)N1CCC[C@@H](OC)C1
342079920	ZINC000625316882	ref	7.2	-22.26	0	287.31	1.637	0	4	5	Cc1nccn1[C@@H]1CCCN(C(=O)COCC(F)F)C1
365637916	ZINC000354711169	ref	1.53	-8.63	0	254.334	1.985	2	4	5	CC[C@@H](C)[C@@H](C)NC(=O)Nc1cn(C)nc1OC
342079921	ZINC000625316882	mid	7.67	-41.22	1	287.31	1.637	0	3	5	Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)COCC(F)F)C1
136229292	ZINC000232475555	ref	5.15	-5.95	0	204.269	2.014	1	2	5	CC#CCCOc1ccccc1CCO
342079922	ZINC000625315946	ref	3.22	-14.49	0	291.311	1.054	0	7	3	COc1nc(C(=O)N2CCn3c(nnc3C(C)C)C2)co1
342079923	ZINC000625316216	ref	9.48	-13.95	0	294.358	1.815	1	4	4	O=C(NCc1nncn1C1CC1)[C@H]1[C@H]2c3ccccc3C[C@H]21
342079924	ZINC000625315463	ref	2.85	-8.25	0	298.427	1.278	1	4	3	CC(C)(C)CNC(=O)CN1CCOCC2(CCOCC2)C1
214187118	ZINC000278487478	ref	5.36	-20.42	0	306.406	2.097	1	3	11	COCCCCN(Cc1ccccc1)C(=O)CCCC(N)=O
342079925	ZINC000625315463	mid	4.69	-43.31	1	298.427	1.278	2	3	3	CC(C)(C)CNC(=O)C[N@@H+]1CCOCC2(CCOCC2)C1
342079926	ZINC000625315463	mid	5.01	-37.74	1	298.427	1.278	2	3	3	CC(C)(C)CNC(=O)C[N@H+]1CCOCC2(CCOCC2)C1
342079927	ZINC000625316607	ref	7.82	-47.15	1	285.395	1.941	1	4	4	Cc1ccc(C2CC[NH+](CCc3cn(C)nn3)CC2)cn1
342079928	ZINC000625316607	high	5.45	-11.84	0	285.395	1.941	0	5	4	Cc1ccc(C2CCN(CCc3cn(C)nn3)CC2)cn1
342079929	ZINC000083163509	ref	5.57	-78.52	0	250.254	1.483	1	4	3	O=C(c1ccc([O-])c([N+](=O)[O-])c1)C1CC[NH2+]CC1
185089111	ZINC000096077981	mid	7.71	-37.31	1	289.423	2.742	1	3	4	Cc1noc(C)c1CN1CCC2(CC1)CC[N@H+]2CC1CC1
222608711	ZINC000170625869	ref	11.18	-49.2	-1	364.405	3.483	0	7	3	Cc1cc([O-])c(C2=Nc3ncnn3[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1
222608715	ZINC000170625869	mid	10.42	-24.65	0	364.405	3.483	1	7	3	Cc1cc(O)c(C2=Nc3ncnn3[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1
342079930	ZINC000625316634	ref	2.89	-39.03	1	257.374	1.179	2	3	8	CCO[C@@H](C[NH2+][C@H](CO)C1CCOCC1)C1CC1
342079931	ZINC000625315767	ref	5.94	-10.94	0	276.34	1.896	1	6	6	CCN(C)c1nnc(-c2ccc(CO)o2)n1CC1CC1
185089112	ZINC000096077981	low	10.16	-109.16	2	289.423	2.742	2	2	4	Cc1noc(C)c1C[NH+]1CCC2(CC1)CC[N@@H+]2CC1CC1
342079932	ZINC000625315779	ref	1.83	-37.92	1	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)C[C@@H]2CCCC[C@H]2O)n1
342079933	ZINC000625315779	mid	2.46	-39.44	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)n1
342079934	ZINC000625315779	mid	0.36	-5.78	0	265.357	1.468	1	5	5	COc1cncc(CN(C)C[C@@H]2CCCC[C@H]2O)n1
342079935	ZINC000625315827	ref	1.7	-7.26	0	269.37	1.167	0	6	2	c1nnsc1CN1CCOCC2(CCOCC2)C1
342596516	ZINC000616972887	ref	3.24	-16.15	0	294.738	1.308	2	3	5	O=C(CCC(=O)c1ccc(Cl)cc1)N[C@@H]1CCNC1=O
342596517	ZINC000616972890	ref	2.04	-16.87	0	283.125	1.067	2	2	2	O=C(N[C@H]1CCNC1=O)c1ccc(Br)cc1
342596518	ZINC000616972904	ref	2.05	-15.77	0	274.654	1.237	2	2	2	O=C(N[C@H]1CCNC1=O)c1cc(F)c(F)cc1Cl
222608718	ZINC000222526273	ref	8.77	-18.7	0	394.496	3.484	1	3	7	CN(c1cccc(C(=O)NCCc2ccccc2)c1)S(=O)(=O)c1ccccc1
214187120	ZINC000278487011	ref	6.82	-17.01	0	316.361	1.741	1	6	6	COc1ccc(OC)c(CC(=O)Nc2cc(N(C)C)ncn2)c1
214187123	ZINC000278488181	ref	1.59	-8.79	0	322.361	1.183	2	5	4	COc1cc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2C)cc(OC)c1
342596519	ZINC000616972252	ref	4.54	-17.17	0	292.766	1.667	2	2	4	O=C1NCC[C@H]1NC(=O)C1(Cc2cccc(Cl)c2)CC1
185089114	ZINC000096077981	low	10.16	-110.22	2	289.423	2.742	2	2	4	Cc1noc(C)c1C[NH+]1CCC2(CC1)CC[N@H+]2CC1CC1
222608730	ZINC000222559043	ref	0.16	-27.98	0	389.499	0.513	2	5	5	CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)c1
136229293	ZINC000184907795	ref	7.37	-11.53	0	233.286	2.636	1	1	5	CC#CCCCC(=O)NCc1ccccc1F
282122967	ZINC000269752892	ref	9.93	-12.46	0	291.355	1.824	1	7	6	CCC(CC)(CNc1cc(C)nc2ncnn12)C(=O)OC
365637826	ZINC000336555050	ref	7.91	-44.57	1	278.396	2.157	1	3	3	Cc1ccc(C)n1C1CC[NH+](C[C@H]2COCCO2)CC1
365637830	ZINC000336555050	high	5.59	-5.72	0	278.396	2.157	0	4	3	Cc1ccc(C)n1C1CCN(C[C@H]2COCCO2)CC1
282122971	ZINC000301420425	ref	1.97	-21.23	0	321.83	1.449	1	6	6	CCC(CC)(CNc1cnn(C)c(=O)c1Cl)S(C)(=O)=O
342596520	ZINC000616976457	ref	4.28	-14.47	0	261.387	1.458	0	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCCS(=O)(=O)C1
342596521	ZINC000616972512	ref	2.47	-21.12	0	292.335	1.102	2	4	6	CCOc1ccc(C(=O)N[C@@H]2CCNC2=O)cc1OCC
259308378	ZINC000229264463	ref	8.07	-33.58	1	239.403	3.647	1	1	5	CCC[C@@H](C)[NH2+]C[C@@H]1CCC2(CCCCC2)O1
214187128	ZINC000278488994	ref	9.17	-15.27	0	324.424	3.433	1	2	4	Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)CCc3ccc(=O)[nH]c3)C2)cc1
197594147	ZINC000162813085	ref	4.89	-10.12	0	324.396	2.851	2	3	6	CC1(C)C[C@@H](NC(=O)NCCCOc2ccc(F)cc2)CCO1
166172844	ZINC000032009136	low	6.15	-28.72	0	195.218	1.352	1	3	6	C=CC[N@@H+](CC(=O)[O-])Cc1ccco1
342596522	ZINC000616972286	ref	2.44	-21.02	0	250.323	1.027	2	3	3	CSc1cccc(C(=O)N[C@H]2CCNC2=O)c1
342596523	ZINC000616972825	ref	3.34	-16.02	0	250.342	1.207	2	2	2	O=C1NCC[C@@H]1NC(=O)[C@@H]1[C@H]2CCCCCC[C@H]21
398245556	ZINC000095016320	low	5.1	-36.76	1	235.287	1.03	0	4	2	COC(=O)[C@@H]1CN(c2cc[nH+]c(C)n2)C[C@H]1C
178303241	ZINC000000153796	ref	6.67	-10.86	0	215.281	2.766	0	4	1	Cc1cc2nccc(-c3cccs3)n2n1
178303244	ZINC000035601488	ref	3.15	-52.28	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)O)c(C)n2n1
178303247	ZINC000035601488	high	1.89	-9.37	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@H](C)NC[C@H](C)O)c(C)n2n1
178303250	ZINC000035205005	ref	1.1	-10.76	0	248.286	0.457	2	5	3	Cc1cc2ncc(C(=O)N[C@@H](C)CO)c(C)n2n1
214187126	ZINC000293609476	mid	4.2	-50.12	1	356.426	0.909	3	3	2	C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)C1
178303256	ZINC000072451597	ref	6.54	-10.18	0	215.281	2.766	0	4	1	Cc1cc2nccc(-c3ccsc3)n2n1
178303259	ZINC000280936719	ref	5.79	-55.07	1	236.294	1.966	1	3	4	Cc1cc2ncc([C@H](C)[NH2+]CCF)c(C)n2n1
214187129	ZINC000293609476	high	2.56	-78.77	0	356.426	0.909	2	3	2	C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
178303264	ZINC000280936719	mid	4.59	-8.71	0	236.294	1.966	1	4	4	Cc1cc2ncc([C@H](C)NCCF)c(C)n2n1
342079936	ZINC000625315827	low	3.46	-50.47	1	269.37	1.167	1	5	2	c1nnsc1C[N@@H+]1CCOCC2(CCOCC2)C1
178303270	ZINC000077271094	ref	5.62	-16.41	0	202.217	1.605	1	5	0	Cc1cc2nc3nc(N)n(C)c3cc2o1
178303275	ZINC000206738997	ref	0.44	-16.29	0	226.261	0.409	1	5	2	Cc1cc2ncc(NS(C)(=O)=O)cn2n1
178303279	ZINC000206738997	high	0.74	-38.16	-1	226.261	0.409	0	5	2	Cc1cc2ncc([N-]S(C)(=O)=O)cn2n1
398245557	ZINC000349373504	ref	3.33	-37.06	1	213.321	1.116	2	2	3	C[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C[C@H]1O
214187132	ZINC000293609476	high	2.56	-78.07	0	356.426	0.909	2	3	2	C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
398245558	ZINC000349373504	mid	3.42	-40.03	1	213.321	1.116	2	2	3	C[C@@H]1CC[N@@H+](CC[C@@H]2CCOC2)C[C@H]1O
214187136	ZINC000293603638	ref	4.86	-22.87	0	353.404	0.521	2	7	8	CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2ncn(C)n2)cc1
214187142	ZINC000293614953	ref	4.04	-23.87	0	357.388	0.709	0	6	5	COc1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-]
214187151	ZINC000293603715	ref	-0.58	-18.4	0	369.443	0.008	3	5	7	CNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@H]2CCCO2)c1
398245559	ZINC000349193347	ref	6.21	-9.65	0	227.348	2.496	1	2	4	CC[C@H]1CCC[C@@H]1NC(=O)COC(C)(C)C
178303293	ZINC000095937924	ref	6.89	-7.18	0	247.641	2.977	0	4	1	Cc1cc2ncc(C#N)c(Cl)c2cc1[N+](=O)[O-]
178303296	ZINC000001384284	ref	5.81	-11.4	0	210.24	2.1	0	4	1	Cc1cc2nccc(-c3ccncc3)n2n1
136229294	ZINC000184908287	ref	5.62	-11.18	0	230.311	1.79	1	2	5	C#CCC(C)(C)C(=O)NCCc1ccccn1
214187133	ZINC000278488200	ref	7.33	-12.46	0	304.312	3.394	2	2	6	CC[C@@H](C)[C@@H](NC(=O)NOCc1ccccc1)C(F)(F)F
214187138	ZINC000278487651	ref	8.55	-15.96	0	312.373	1.943	1	5	2	Cn1c(C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)cccc1=O
222608710	ZINC000291774877	ref	5.62	-9.98	0	322.449	3.083	2	3	10	CC[C@H](C)[C@@H](C)NC(=O)NCc1ccc(COCCOC)cc1
342079937	ZINC000625315827	low	3.87	-44.9	1	269.37	1.167	1	5	2	c1nnsc1C[N@H+]1CCOCC2(CCOCC2)C1
282122968	ZINC000361758468	high	2.9	-7.58	0	268.279	1.118	0	3	4	CN(C)C[C@@H]1CN(C(=O)CCC(F)(F)F)CCO1
214187141	ZINC000278487261	ref	8.2	-18.07	0	313.401	2.489	1	4	5	CC1(C)CC[C@H](C(=O)NCCc2cnn(-c3ccccc3)c2)O1
214187144	ZINC000278488846	ref	9.17	-52.9	1	315.396	2.34	1	4	3	Cc1ccc(N2CCC[N@H+](Cc3ccc(F)nc3C)CC2)nn1
282122970	ZINC000371643983	ref	3.04	-44.16	1	312.37	-0.894	2	4	4	C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CCO1
349535111	ZINC000594968982	high	4.95	-14.81	0	287.375	2.744	1	2	4	C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(F)c(F)c2)C1
190493892	ZINC000269436287	ref	6.6	-10.16	0	287.363	2.864	1	4	6	Cc1noc(C(C)C)c1C(=O)NCCCc1ccccn1
214187147	ZINC000278488846	mid	9.08	-54.96	1	315.396	2.34	1	4	3	Cc1ccc(N2CCC[N@@H+](Cc3ccc(F)nc3C)CC2)nn1
349535115	ZINC000594968790	ref	5.65	-38.8	1	272.439	2.663	1	4	7	CCO[C@@H]1C[C@@H]([NH2+]Cc2ncc(CSC)s2)C1
136229295	ZINC000184912685	ref	4.41	-7.15	0	211.305	1.579	1	2	7	C#CCC(C)(C)C(=O)NCCCOCC
214187149	ZINC000278488846	mid	7.16	-11.74	0	315.396	2.34	0	5	3	Cc1ccc(N2CCCN(Cc3ccc(F)nc3C)CC2)nn1
398245560	ZINC000349190572	ref	7.65	-93.8	2	242.407	1.98	2	1	8	C[C@H]1CCCC[C@@H]1C[NH2+]CCOCC[NH+](C)C
136229296	ZINC000184917911	ref	8.16	-13.38	0	247.313	2.678	1	1	6	CC#CCCCC(=O)NCCc1ccccc1F
136229297	ZINC000184901176	ref	0.82	-11.38	0	231.202	0.937	1	4	5	C=CCNC(=O)c1cc(OC(F)F)n(C)n1
136229298	ZINC000184906573	ref	4.11	-18.78	0	236.315	0.904	1	2	4	CC#CCCCC(=O)N1CCC[C@H](C(N)=O)C1
342079938	ZINC000625316180	ref	7.34	-12.99	0	264.329	1.044	1	5	7	CCO[C@H](C(=O)NCc1nncn1C1CC1)C1CC1
342079939	ZINC000625315678	ref	7.64	-9.58	0	272.356	1.924	1	5	4	C[C@@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)C1
342079940	ZINC000625315130	ref	8.5	-45.04	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C
342596524	ZINC000616972662	ref	4.27	-15.75	0	294.782	1.913	2	2	4	CC(C)(Cc1ccc(Cl)cc1)C(=O)N[C@@H]1CCNC1=O
290622721	ZINC000492523057	ref	4.75	-11.85	0	258.321	2.328	1	3	4	COc1cncc(/C=C\C(=O)N[C@H]2C=CCCC2)c1
342596525	ZINC000616972848	ref	2.8	-19.82	0	296.754	1.745	2	3	4	CC(C)Oc1ccc(C(=O)N[C@@H]2CCNC2=O)c(Cl)c1
342596526	ZINC000616972295	ref	3.74	-22.32	0	285.347	1.495	3	2	5	O=C(CCCc1c[nH]c2ccccc12)N[C@H]1CCNC1=O
178303245	ZINC000237230247	ref	3.81	-63.43	1	357.432	1.789	2	5	7	COc1cc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-]
178303249	ZINC000237235794	ref	3.76	-54.98	1	373.457	1.458	2	6	8	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])n2)cc1
282123647	ZINC000171330524	ref	6.98	-14.59	0	302.403	1.882	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3c(s1)CCC3)CC2
365637832	ZINC000623070812	ref	7.74	-44.97	1	317.437	1.543	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1
365637841	ZINC000623070021	ref	4.32	-90.71	2	306.41	1.248	4	2	5	C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c1
342596527	ZINC000616972531	ref	2.54	-16.23	0	291.738	1.748	3	2	2	Cc1c(C(=O)N[C@@H]2CCNC2=O)[nH]c2c(Cl)cccc12
230731858	ZINC000450416278	ref	9.1	-16.64	0	316.409	1.403	1	5	5	CN(C)C(=O)NCCN(C)c1nc(N(C)C)c2ccccc2n1
230731861	ZINC000450416278	low	9.42	-32.17	1	316.409	1.403	1	4	5	CN(C)C(=O)NCCN(C)c1nc(N(C)C)c2ccccc2[nH+]1
342596528	ZINC000616972513	ref	2.47	-21.1	0	292.335	1.102	2	4	6	CCOc1ccc(C(=O)N[C@H]2CCNC2=O)cc1OCC
290622724	ZINC000492522413	ref	4.6	-12.82	0	285.347	2.054	2	4	6	C[C@@H](CNC(=O)/C=C\c1ccc(O)cc1)Cn1cccn1
185089119	ZINC000096078552	ref	2.5	-13.29	0	295.335	1.316	0	5	4	CCOC[C@@H]1C[C@@]2(COCCN2C(=O)c2ccoc2)CO1
365637845	ZINC000623070021	high	1.84	-48.25	1	306.41	1.248	3	3	5	CN(C)Cc1cccc(NC(=O)NC[C@H]2C[NH2+]CCCO2)c1
342596529	ZINC000616972846	ref	4.3	-20.11	0	289.36	1.466	2	4	3	Cc1cc(C(=O)N[C@@H]2CCNC2=O)c(-n2cccc2)s1
365637854	ZINC000623070747	ref	3.65	-56.73	1	300.366	1.606	2	4	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3ccccc3)C2)nn1
365637859	ZINC000623070747	high	3.25	-15.88	0	300.366	1.606	2	5	3	NCc1cn([C@H]2CCCN(C(=O)Nc3ccccc3)C2)nn1
342596530	ZINC000616976456	ref	4.08	-15.07	0	261.387	1.458	0	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCCS(=O)(=O)C1
259308381	ZINC000322971998	ref	4.79	-51.21	1	234.343	2.828	2	1	3	Cc1cc(C[NH3+])cc(NC(=O)CC(C)(C)C)c1
214187135	ZINC000053528135	high	8.25	-53.11	-1	333.804	3.153	1	5	5	O=C(CCc1ccc(Cl)s1)Nc1nc(-c2ccccn2)n[n-]1
214187139	ZINC000053528135	high	8.24	-53.1	-1	333.804	3.153	1	5	5	O=C(CCc1ccc(Cl)s1)Nc1n[n-]c(-c2ccccn2)n1
214187145	ZINC000053549180	ref	6.29	-19.04	0	345.38	3.064	2	5	5	CNC(=O)c1ccc(Sc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1
214187150	ZINC000053530913	ref	2.54	-18.13	0	327.406	0.352	1	4	5	CS(=O)(=O)N1CCN(C(=O)NCCOc2ccccc2)CC1
214187158	ZINC000053553812	ref	7.42	-19.67	0	345.345	3.406	1	3	3	O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccccc2O)CC1
214187162	ZINC000053553812	high	8.17	-65.38	-1	345.345	3.406	0	3	3	O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccccc2[O-])CC1
214187168	ZINC000053544945	ref	4.0	-40.17	0	349.416	0.133	1	6	5	C[C@H](CNC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)Cn1cccn1
214187173	ZINC000053548862	ref	8.35	-13.1	0	333.432	2.757	1	3	4	CCOC(=O)N1CCC(NC(=O)N(C)Cc2ccc(C)cc2)CC1
398245561	ZINC000349190572	high	5.07	-36.65	1	242.407	1.98	1	2	8	C[C@H]1CCCC[C@@H]1C[NH2+]CCOCCN(C)C
342079941	ZINC000625315130	mid	9.01	-43.41	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C
214187178	ZINC000053544259	ref	6.86	-14.06	0	345.403	1.797	2	6	5	C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc(-n2cncn2)cc1
214187183	ZINC000053539978	ref	3.92	-25.58	0	337.445	2.201	2	4	7	CC[C@@H](C)[C@H](NC(=O)CS(=O)(=O)CC)c1nc2ccccc2[nH]1
214187189	ZINC000053524315	ref	4.73	-24.23	0	343.368	1.907	2	6	4	CS(=O)(=O)c1cccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
214187194	ZINC000053524315	mid	4.75	-21.57	0	343.368	1.907	2	6	4	CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1
349535119	ZINC000594968790	mid	4.34	-5.89	0	272.439	2.663	1	5	7	CCO[C@@H]1C[C@@H](NCc2ncc(CSC)s2)C1
214187198	ZINC000053524315	high	4.66	-64.49	-1	343.368	1.907	1	6	4	CS(=O)(=O)c1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1
214187201	ZINC000053524315	high	4.58	-65.51	-1	343.368	1.907	1	6	4	CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1
214187205	ZINC000053524315	high	4.56	-65.46	-1	343.368	1.907	1	6	4	CS(=O)(=O)c1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1
214187211	ZINC000053532333	ref	6.54	-14.09	0	330.331	2.383	1	4	8	COC(=O)CCCNC(=O)N(C)Cc1ccc(OC(F)F)cc1
398245562	ZINC000349138301	ref	1.98	-9.37	0	214.265	0.599	1	3	5	CC[C@@H](C)[C@@H](CN1C(=O)CNC1=O)OC
342079942	ZINC000625315130	mid	9.01	-79.26	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C
342079943	ZINC000625315130	mid	9.52	-78.16	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C
342079944	ZINC000625316924	ref	1.05	-37.67	1	285.771	1.923	3	3	5	OC[C@H]([NH2+]Cc1cc(O)ccc1Cl)C1CCOCC1
222608725	ZINC000283736303	ref	7.45	-15.8	0	314.393	1.551	2	5	5	C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@@H](C(N)=O)C1
342079945	ZINC000625316924	high	-0.28	-6.47	0	285.771	1.923	3	4	5	OC[C@H](NCc1cc(O)ccc1Cl)C1CCOCC1
342079946	ZINC000625315668	ref	3.13	-5.66	0	263.341	1.949	0	5	3	C1CC(c2nc(CN3CCOCC4(CC4)C3)no2)C1
342079947	ZINC000625316656	ref	0.82	-5.75	0	251.33	1.54	1	5	4	C[C@H](O)[C@H]1CCN(Cc2noc(C3CCC3)n2)C1
342079948	ZINC000625316656	low	3.27	-33.17	1	251.33	1.54	2	4	4	C[C@H](O)[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1
342079949	ZINC000625316656	low	3.0	-35.26	1	251.33	1.54	2	4	4	C[C@H](O)[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1
136229299	ZINC000232466983	ref	3.65	-13.66	0	223.276	0.677	1	4	6	CC(=O)CCC(=O)NCCn1cc(C)cn1
168366157	ZINC000043293120	high	0.18	-27.92	1	188.315	0.672	3	2	4	C[C@@H](N)[C@@H]([N@H+](C)CCO)C(C)(C)C
214187153	ZINC000337625358	mid	9.09	-37.36	1	290.407	2.386	1	2	6	CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H](C)C2)cc1
342079950	ZINC000625315445	ref	4.4	-39.5	1	269.385	1.729	1	3	6	C[C@@]1([NH2+]CCOC2CCOCC2)CCO[C@H]1C1CC1
342079951	ZINC000625316532	ref	2.61	-8.43	0	280.368	1.298	1	4	5	C[C@@H](O)CN1CCN(C(=O)C[C@@H](C)c2ccco2)CC1
342079952	ZINC000625316532	mid	4.95	-44.29	1	280.368	1.298	2	3	5	C[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)c2ccco2)CC1
342079953	ZINC000625317003	ref	-0.2	-6.79	0	273.283	1.689	0	5	5	COc1cncc(CN2CCC[C@H](OC(F)F)C2)n1
342079954	ZINC000625317003	low	2.24	-41.18	1	273.283	1.689	1	4	5	COc1cncc(C[N@@H+]2CCC[C@H](OC(F)F)C2)n1
342079955	ZINC000625317003	low	3.07	-40.35	1	273.283	1.689	1	4	5	COc1cncc(C[N@H+]2CCC[C@H](OC(F)F)C2)n1
342079956	ZINC000625316991	ref	5.87	-44.44	1	292.383	1.954	1	5	9	CC(C)COC[C@H]([NH2+]CCc1cn(C)nn1)c1ccco1
342079957	ZINC000625316991	mid	4.65	-11.09	0	292.383	1.954	1	6	9	CC(C)COC[C@H](NCCc1cn(C)nn1)c1ccco1
342079958	ZINC000625315720	ref	3.61	-7.43	0	256.39	1.505	1	3	4	CC(C)[C@@H]1CN(CC(=O)NCC(C)(C)C)CCO1
342079959	ZINC000625315720	low	5.8	-38.46	1	256.39	1.505	2	2	4	CC(C)[C@@H]1C[N@H+](CC(=O)NCC(C)(C)C)CCO1
342079960	ZINC000625315720	low	5.37	-36.96	1	256.39	1.505	2	2	4	CC(C)[C@@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CCO1
282122969	ZINC000245381966	mid	7.55	-45.79	1	349.479	1.151	2	5	4	Cc1nc2n(n1)C[C@H](NC(=O)[C@H](C(C)C)[NH+]1C[C@H](C)O[C@@H](C)C1)CC2
365637837	ZINC000336554216	ref	6.35	-33.54	1	260.381	2.032	2	2	3	Cc1ccccc1N1CC[NH+](CC2(O)CCC2)CC1
295666372	ZINC000435614779	ref	7.94	-14.22	0	314.429	3.492	1	2	3	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)N1CCC12CCC2
178303254	ZINC000237237627	ref	4.64	-44.15	1	374.304	1.839	2	3	5	C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)NC(=O)c1ccc(Br)s1
365637847	ZINC000336554216	high	4.23	-3.68	0	260.381	2.032	1	3	3	Cc1ccccc1N1CCN(CC2(O)CCC2)CC1
295666374	ZINC000422152144	ref	6.16	-12.55	0	330.428	2.729	1	3	3	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[C@@]12CCOC2
365637853	ZINC000336554922	ref	7.01	-39.18	1	250.342	2.232	1	3	3	Cc1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)no1
365637862	ZINC000336554922	mid	7.06	-38.78	1	250.342	2.232	1	3	3	Cc1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)no1
342596531	ZINC000616972460	ref	4.19	-18.44	0	258.321	1.111	2	2	4	O=C(Cc1cccc(C2CC2)c1)N[C@H]1CCNC1=O
197594159	ZINC000162812637	ref	10.67	-24.84	0	314.389	2.584	1	5	6	COc1ccc(CCCC(=O)Nc2nnc3n2CCCC3)cc1
365637867	ZINC000336554922	mid	4.58	-6.3	0	250.342	2.232	0	4	3	Cc1cc(CN2CC[C@H](C3CCOCC3)C2)no1
365637876	ZINC000336554720	ref	4.73	-13.4	0	285.303	2.437	0	4	2	Cc1coc(-c2cccc(N3C(=O)[C@@H](C)N(C)C3=O)c2)n1
365637884	ZINC000336554586	ref	3.72	-9.27	0	295.408	2.165	3	3	3	C[C@H](NC(=O)N[C@H]1CCC(=O)NC1(C)C)c1cccs1
178303258	ZINC000237230821	ref	4.36	-55.43	1	352.482	1.791	2	3	6	CN1CCN([C@H](C(=O)NC[C@H]([NH3+])c2ccccc2)c2ccccc2)CC1
365637892	ZINC000336554584	ref	3.72	-9.18	0	295.408	2.165	3	3	3	C[C@@H](NC(=O)N[C@H]1CCC(=O)NC1(C)C)c1cccs1
365637899	ZINC000336555075	ref	6.52	-38.35	1	250.342	2.232	1	3	3	Cc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)no1
365637903	ZINC000336555075	mid	7.16	-39.77	1	250.342	2.232	1	3	3	Cc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)no1
365637910	ZINC000336555075	mid	4.92	-6.62	0	250.342	2.232	0	4	3	Cc1cc(CN2CCC[C@@H]([C@H]3CCOC3)C2)no1
365637914	ZINC000336555021	ref	7.82	-34.45	1	279.405	2.192	1	3	3	c1ccc([C@@H]2CSCC[N@H+]2C[C@H]2COCCO2)cc1
342596532	ZINC000616972888	ref	3.25	-16.14	0	294.738	1.308	2	3	5	O=C(CCC(=O)c1ccc(Cl)cc1)N[C@H]1CCNC1=O
342596533	ZINC000616972264	ref	4.61	-21.09	0	290.363	1.502	2	3	5	Cc1ccc(C(C)C)c(OCC(=O)N[C@@H]2CCNC2=O)c1
178303261	ZINC000237230821	mid	6.72	-100.35	2	352.482	1.791	3	2	6	C[NH+]1CCN([C@H](C(=O)NC[C@H]([NH3+])c2ccccc2)c2ccccc2)CC1
342079961	ZINC000625316636	ref	2.76	-39.11	1	257.374	1.179	2	3	8	CCO[C@H](C[NH2+][C@@H](CO)C1CCOCC1)C1CC1
342079962	ZINC000625315216	ref	2.53	-45.09	1	278.396	1.961	3	3	7	CCc1cnccc1[C@H](C)[NH2+]C[C@@H](O)CC1(O)CCC1
178303262	ZINC000237230821	high	4.0	-8.38	0	352.482	1.791	2	4	6	CN1CCN([C@H](C(=O)NC[C@H](N)c2ccccc2)c2ccccc2)CC1
349535120	ZINC000093262218	high	2.03	-10.96	0	295.387	0.679	2	5	4	C[C@H]1CCN(C(=O)Nc2ccn(CCN(C)C)n2)C[C@@H]1O
349535125	ZINC000093281807	ref	6.47	-32.07	1	270.373	0.986	1	3	4	COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)N(C)C)C1
178303267	ZINC000237235009	ref	4.49	-54.47	1	359.348	1.662	2	3	6	C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
342079963	ZINC000625315216	high	1.33	-6.16	0	278.396	1.961	3	4	7	CCc1cnccc1[C@H](C)NC[C@@H](O)CC1(O)CCC1
178303273	ZINC000237235820	ref	4.71	-51.36	1	360.376	1.903	2	3	6	CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)C1CC[NH2+]CC1
178303277	ZINC000237241825	ref	6.25	-37.62	1	365.499	1.298	1	3	5	C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1
178303282	ZINC000237223398	ref	5.23	-48.39	1	365.499	1.27	2	3	8	C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
349535130	ZINC000093281807	mid	6.92	-34.76	1	270.373	0.986	1	3	4	COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1
178303285	ZINC000237230255	ref	5.24	-50.95	1	358.438	1.941	2	4	9	COc1ccc(CCNC(=O)[C@@H]([NH3+])Cc2ccccc2)c(OC)c1OC
222608732	ZINC000291776420	ref	8.74	-14.86	0	324.421	3.213	1	4	9	CC[C@@H](C)CONC(=O)N(CC)Cc1ccc(OC)c(OC)c1
178303288	ZINC000237230255	high	4.94	-15.1	0	358.438	1.941	2	5	9	COc1ccc(CCNC(=O)[C@@H](N)Cc2ccccc2)c(OC)c1OC
178303291	ZINC000237223371	ref	6.28	-58.57	-1	363.151	1.511	1	4	5	COC[C@@](C)(NC(=O)c1ccccc1I)C(=O)[O-]
342079964	ZINC000625315982	ref	1.29	-7.73	0	281.356	1.566	0	6	6	CCO[C@H](CN1CCOC[C@H]1c1noc(C)n1)C1CC1
342079965	ZINC000625315437	ref	4.94	-37.73	1	269.385	1.729	1	3	6	C[C@]1([NH2+]CCOC2CCOCC2)CCO[C@H]1C1CC1
342079966	ZINC000625315173	ref	4.77	-41.8	1	268.401	1.696	2	2	5	CC(C)(C)CNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1
342079967	ZINC000625315173	high	3.59	-8.16	0	268.401	1.696	2	3	5	CC(C)(C)CNC(=O)CN[C@]1(C)CCO[C@H]1C1CC1
342079968	ZINC000625316380	ref	3.26	-43.58	1	283.343	1.644	2	3	7	OC[C@@H]([NH2+]CCOC1CCOCC1)c1ccc(F)cc1
365637844	ZINC000625081225	ref	8.49	-42.41	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C[C@@H](C)O1
230731879	ZINC000450412012	ref	2.43	-9.47	0	309.318	1.17	2	6	5	COC[C@]1(C(=O)Nc2cccc(C(=O)OC)c2O)CCOC1
365637848	ZINC000625081225	mid	8.28	-41.85	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)C[C@@H](C)O1
214187154	ZINC000278487209	ref	5.82	-10.4	0	301.394	2.644	2	4	5	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@@H](C)C(C)C)n2)c1
342079969	ZINC000625316380	high	2.09	-7.49	0	283.343	1.644	2	4	7	OC[C@@H](NCCOC1CCOCC1)c1ccc(F)cc1
214187156	ZINC000278487920	ref	5.43	-10.26	0	316.17	2.743	1	2	2	C[C@H]1COCC[C@@H]1NC(=O)c1ccc(Br)cc1F
365637857	ZINC000625083476	ref	4.68	-13.45	0	318.402	2.046	1	5	6	O=S(=O)(NCCC1=CCCC1)c1cnnn1-c1ccccc1
365637860	ZINC000625083476	high	4.32	-44.78	-1	318.402	2.046	0	5	6	O=S(=O)([N-]CCC1=CCCC1)c1cnnn1-c1ccccc1
343994047	ZINC000079917741	ref	4.59	-9.17	0	253.264	2.403	1	2	5	C[C@@H](C[C@@H]1CCCO1)NC(=O)CCC(F)(F)F
343994048	ZINC000079908657	ref	7.12	-12.78	0	285.351	2.408	1	5	4	Cc1ccc(NC(=O)CC2CCC2)cc1-n1nnnc1C
342079970	ZINC000625315783	ref	5.65	-9.95	0	276.344	1.161	1	6	7	COCCN(C)c1nnc(-c2cn[nH]c2)n1CC1CC1
342079971	ZINC000625315777	ref	1.96	-40.2	1	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)C[C@@H]2CCCC[C@@H]2O)n1
230731893	ZINC000450416340	ref	5.74	-9.59	0	313.283	1.819	2	4	4	CN(C)c1nccc(CNC(=O)c2ccc(C(F)(F)F)[nH]2)n1
342079972	ZINC000625315777	mid	2.59	-39.41	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)n1
365637869	ZINC000625080138	ref	4.33	-11.8	0	308.451	2.296	1	5	6	CCCC(=O)NC1CCN(Cc2nnc(C3CC3)s2)CC1
365637875	ZINC000625080138	low	6.72	-45.5	1	308.451	2.296	2	4	6	CCCC(=O)NC1CC[NH+](Cc2nnc(C3CC3)s2)CC1
365637882	ZINC000625079699	ref	4.19	-10.35	0	313.463	2.334	2	3	8	CCC(C)(C)CS(=O)(=O)N[C@H](C)[C@H](O)Cc1ccccc1
365637886	ZINC000625080989	ref	5.3	-34.87	1	320.437	2.024	1	5	5	C1CC(c2nc(CN3CCC[N@@H+](C[C@H]4CCCO4)CC3)no2)C1
365637891	ZINC000625080989	mid	5.3	-34.13	1	320.437	2.024	1	5	5	C1CC(c2nc(CN3CCC[N@H+](C[C@H]4CCCO4)CC3)no2)C1
342079973	ZINC000625315777	mid	0.48	-5.08	0	265.357	1.468	1	5	5	COc1cncc(CN(C)C[C@@H]2CCCC[C@@H]2O)n1
365637894	ZINC000625080989	high	3.43	-7.02	0	320.437	2.024	0	6	5	C1CC(c2nc(CN3CCCN(C[C@H]4CCCO4)CC3)no2)C1
342079974	ZINC000625315127	ref	9.38	-43.59	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C
342079975	ZINC000625315127	mid	8.64	-43.63	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C
185089121	ZINC000096076206	ref	6.76	-44.27	1	294.42	1.933	1	3	1	C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1
365637864	ZINC000623070229	ref	1.87	-59.87	1	301.354	1.001	2	5	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3cccnc3)C2)nn1
214187155	ZINC000337625358	high	6.72	-9.61	0	290.407	2.386	0	3	6	CCOc1ccc(CN(C)C(=O)CN2CC[C@H](C)C2)cc1
342079976	ZINC000625315127	mid	9.89	-78.46	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C
342079977	ZINC000625315127	mid	9.16	-78.7	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C
365637871	ZINC000623070229	high	1.45	-21.0	0	301.354	1.001	2	6	3	NCc1cn([C@H]2CCCN(C(=O)Nc3cccnc3)C2)nn1
342079978	ZINC000625315522	ref	5.33	-33.53	1	255.358	1.294	1	3	4	C1CC(OCC[N@@H+]2CCOCC3(CC3)C2)CCO1
342079979	ZINC000625315522	mid	5.28	-33.64	1	255.358	1.294	1	3	4	C1CC(OCC[N@H+]2CCOCC3(CC3)C2)CCO1
342079980	ZINC000625315522	high	3.01	-4.67	0	255.358	1.294	0	4	4	C1CC(OCCN2CCOCC3(CC3)C2)CCO1
185089123	ZINC000096076206	mid	6.96	-39.83	1	294.42	1.933	1	3	1	C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1
342079981	ZINC000625316633	ref	3.04	-38.26	1	257.374	1.179	2	3	8	CCO[C@@H](C[NH2+][C@@H](CO)C1CCOCC1)C1CC1
214187157	ZINC000337627535	ref	3.58	-8.46	0	299.321	3.036	2	3	6	CC(C)COc1ccc(NC(=O)NC2(C(F)F)CC2)cn1
185089126	ZINC000096076206	high	5.08	-9.05	0	294.42	1.933	0	4	1	CN1CCOC[C@@]2(CCCN(C(=O)c3ccsc3)C2)C1
185089128	ZINC000096075991	ref	6.13	-41.1	1	272.352	1.177	1	3	3	O=C(c1cnccn1)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
214187161	ZINC000337625074	ref	1.81	-9.6	0	289.426	2.171	2	5	4	CC[C@@H]1CCCC[C@@H]1Nc1ncc(S(N)(=O)=O)s1
342079982	ZINC000625315239	ref	6.01	-16.96	0	277.368	1.78	0	4	3	COC1CC(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)C1
342079983	ZINC000625315219	ref	2.5	-45.15	1	278.396	1.961	3	3	7	CCc1cnccc1[C@@H](C)[NH2+]C[C@@H](O)CC1(O)CCC1
342079984	ZINC000625315219	high	1.4	-6.51	0	278.396	1.961	3	4	7	CCc1cnccc1[C@@H](C)NC[C@@H](O)CC1(O)CCC1
342079985	ZINC000625316654	ref	0.48	-5.71	0	251.33	1.54	1	5	4	C[C@@H](O)[C@H]1CCN(Cc2noc(C3CCC3)n2)C1
342079986	ZINC000625316654	low	2.92	-33.31	1	251.33	1.54	2	4	4	C[C@@H](O)[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1
222608737	ZINC000291775041	ref	5.24	-9.57	0	306.406	2.871	2	3	7	COc1ccccc1[C@H](C)NC(=O)NC[C@](C)(OC)C1CC1
342079987	ZINC000625316654	low	3.01	-33.41	1	251.33	1.54	2	4	4	C[C@@H](O)[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1
178303295	ZINC000237231991	ref	7.24	-52.81	1	359.47	1.298	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc1
398245563	ZINC000390762350	ref	6.77	-10.38	0	239.315	2.45	1	2	2	C[C@H]1SCC[C@H]1NC(=O)c1ccccc1F
214187159	ZINC000293609077	ref	3.48	-23.33	0	356.404	0.499	1	6	6	CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1
349535121	ZINC000602430159	mid	6.81	-48.59	1	232.327	2.764	2	2	6	C[C@H](CCC#N)C[N@@H+](C)Cc1cccc(O)c1
398245564	ZINC000390766254	ref	3.88	-45.75	1	210.321	1.003	2	1	3	CC(C)C(C)(C)NC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21
178303304	ZINC000237236897	ref	7.33	-50.98	1	359.47	1.502	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)C1
342079988	ZINC000625315958	ref	8.1	-45.07	1	286.379	1.758	1	4	6	Cn1cc(CC[N@@H+]2CC[C@H](COc3ccccc3)C2)nn1
214187166	ZINC000293608011	ref	8.24	-22.95	0	371.357	0.879	2	9	6	COCc1cc(NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)cc(C(=O)OC)c1
178303309	ZINC000237228707	ref	2.22	-11.45	0	374.466	1.457	2	5	4	CN1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1
214187174	ZINC000293610202	ref	0.52	-14.14	0	357.31	0.049	1	7	4	COC(=O)[C@]1(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)CCOC1
178303312	ZINC000237228707	low	4.57	-47.56	1	374.466	1.457	3	4	4	C[NH+]1CCN(S(=O)(=O)c2cccc(NC(=O)c3ccccc3N)c2)CC1
199273099	ZINC000181265045	ref	0.23	-59.14	-1	305.334	1.087	2	6	5	COc1ccc(-n2cc([O-])c(C(=O)NC(C)(C)CO)n2)cc1
214187180	ZINC000293610202	mid	0.76	-42.2	-1	357.31	0.049	0	7	4	COC(=O)[C@]1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCOC1
214187185	ZINC000293611957	ref	5.31	-21.33	0	350.419	0.886	1	6	5	CO[C@H]1CCCC[C@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1
199273101	ZINC000181265045	low	0.96	-16.33	0	305.334	1.087	2	6	5	COc1ccc(N2CC(=O)C(C(=O)NC(C)(C)CO)=N2)cc1
178305452	ZINC000037490378	low	6.71	-25.29	1	230.311	2.739	1	2	1	Cc1cc2[nH+]cn([C@H]3CCC[C@H]3O)c2cc1C
342079989	ZINC000625315958	mid	8.11	-45.25	1	286.379	1.758	1	4	6	Cn1cc(CC[N@H+]2CC[C@H](COc3ccccc3)C2)nn1
342079990	ZINC000625315958	high	5.66	-11.33	0	286.379	1.758	0	5	6	Cn1cc(CCN2CC[C@H](COc3ccccc3)C2)nn1
342079991	ZINC000625316089	ref	4.87	-56.83	1	268.386	1.417	1	5	4	CC(=O)NC1CCC(N(C)Cc2cnns2)CC1
282122972	ZINC000195270648	ref	4.64	-65.55	1	299.378	0.892	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@](C)([NH3+])c1ccccc1)CC2
342079992	ZINC000625316089	mid	4.82	-55.52	1	268.386	1.417	2	4	4	CC(=O)NC1CCC([N@H+](C)Cc2cnns2)CC1
282122975	ZINC000195270648	mid	4.4	-16.2	0	299.378	0.892	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@](C)(N)c1ccccc1)CC2
282122977	ZINC000171335604	ref	6.81	-21.05	0	298.346	1.021	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1Cc3ccccc3O1)CC2
230731889	ZINC000425466898	ref	5.34	-17.35	0	311.426	2.039	2	3	8	CCCC[C@H](CCC)CNC(=O)N[C@@H]1CCC(=O)N(C)C1=O
365637870	ZINC000274364478	ref	6.4	-44.29	1	294.395	1.828	1	4	7	COC(=O)CN1CCC([NH2+][C@H](C)CCc2ccco2)CC1
365637874	ZINC000274364729	ref	2.84	-12.15	0	296.367	1.19	1	5	11	COCCOCCOCCCNC(=O)c1ccc(C)nc1
365637881	ZINC000274367487	ref	5.6	-52.43	1	254.309	1.682	3	2	5	C[C@H](CC[NH+](C)C)NC(=O)Nc1cccc(F)n1
342079993	ZINC000625316089	mid	4.82	-55.52	1	268.386	1.417	2	4	4	CC(=O)NC1CCC([N@@H+](C)Cc2cnns2)CC1
187169743	ZINC000125094178	ref	7.93	-16.55	0	284.359	2.175	1	3	3	Cn1cc(/C=C/C(=O)N2CCC[C@H]2CO)c2ccccc21
365637888	ZINC000274365698	ref	4.65	-10.0	0	251.33	1.556	1	4	6	CCC(=O)CNC(=O)c1cnn(CC(C)C)c1C
282122979	ZINC000119254992	ref	6.23	-13.48	0	312.373	1.332	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1OCCc3ccccc31)CC2
282122983	ZINC000343424128	ref	4.42	-50.28	1	277.372	0.406	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[NH2+][C@@H]1C)CC2
342079994	ZINC000625315986	ref	1.51	-7.99	0	281.356	1.566	0	6	6	CCO[C@@H](CN1CCOC[C@H]1c1noc(C)n1)C1CC1
342079995	ZINC000625316261	ref	1.62	-8.79	0	271.292	1.639	2	5	5	OC[C@@H](NCc1cnns1)c1c(F)cccc1F
282122985	ZINC000246746390	ref	9.75	-13.73	0	336.439	2.312	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1C[C@]13CCCc1ccccc13)CC2
365637895	ZINC000274367119	ref	1.29	-13.82	0	296.237	1.472	0	8	4	Cn1cc(-c2noc(-c3cc(OC(F)F)n(C)n3)n2)cn1
365637901	ZINC000274366811	ref	3.57	-14.52	0	272.37	1.466	0	4	6	CCCc1nc(C(=O)N(C)[C@H](C)C[S@](C)=O)co1
282122988	ZINC000343409797	ref	2.6	-21.48	0	299.325	0.262	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCNCC1(F)F)CC2
342079996	ZINC000625315677	ref	7.75	-9.76	0	272.356	1.924	1	5	4	C[C@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)C1
349535123	ZINC000594969767	ref	5.44	-48.12	1	299.411	2.614	1	2	5	COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
398245565	ZINC000650438293	ref	6.57	-10.32	0	249.345	3.61	1	1	6	C[C@@H](CC(=O)NCCC(C)(F)F)CC(C)(C)C
230731912	ZINC000414310668	ref	5.07	-18.4	0	308.374	3.249	1	3	7	O=[S@@](CCCO)Cc1ccc(Oc2ccccc2)c(F)c1
365637878	ZINC000623069852	ref	3.6	-45.13	1	318.24	1.963	1	3	2	C[C@H]1CCN(C(=O)c2ncc(Br)s2)C[C@@H]1C[NH3+]
365637883	ZINC000623070702	ref	3.72	-56.2	1	318.356	1.745	2	4	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)nn1
210256829	ZINC000004710684	ref	8.17	-10.17	0	348.377	3.198	1	3	4	O=C1N(Cc2ccc(F)cc2)c2ccccc2[C@@]1(O)Cc1ccncc1
342596534	ZINC000616976479	ref	8.21	-24.92	0	296.411	1.803	0	3	5	CC[C@@H](C)N(CC)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1
398245566	ZINC000390759750	ref	0.31	-49.39	1	231.321	-0.867	2	2	4	CN(C1CC1)S(=O)(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21
365637890	ZINC000623070702	high	3.31	-14.71	0	318.356	1.745	2	5	3	NCc1cn([C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)nn1
178303300	ZINC000051847831	ref	7.4	-52.56	-1	230.267	2.368	1	3	2	Cc1cc2nc([C@@H]3C[C@H]3C(=O)[O-])[nH]c2cc1C
365637898	ZINC000623070291	ref	4.56	-57.08	1	314.393	1.914	2	4	3	Cc1ccccc1NC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1
178303301	ZINC000051847831	low	7.82	-42.2	0	230.267	2.368	1	2	2	Cc1cc2[nH]c([C@@H]3C[C@H]3C(=O)[O-])[nH+]c2cc1C
398245567	ZINC000650438400	ref	0.93	-16.4	0	244.316	-0.143	1	3	3	CS(=O)(=O)N1CC[C@@H](NC(=O)C2=CCC2)C1
178303303	ZINC000051847897	ref	1.12	-54.54	1	219.288	1.56	3	2	2	Cc1cc2nc([C@@H]([NH3+])[C@H](C)O)[nH]c2cc1C
365637906	ZINC000623070291	high	4.15	-15.8	0	314.393	1.914	2	5	3	Cc1ccccc1NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1
178303306	ZINC000051847897	mid	0.77	-9.93	0	219.288	1.56	3	3	2	Cc1cc2nc([C@@H](N)[C@H](C)O)[nH]c2cc1C
365637915	ZINC000623069791	ref	5.12	-95.54	2	320.437	1.638	4	2	7	COC[C@]1(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CCC[NH2+]1
178303308	ZINC000047844013	ref	4.54	-12.34	0	236.3	1.811	0	5	1	Cc1cc2ncc(SC(=O)N(C)C)cn2n1
168366159	ZINC000043293120	high	1.33	-25.03	1	188.315	0.672	3	2	4	C[C@@H](N)[C@@H]([N@@H+](C)CCO)C(C)(C)C
365637927	ZINC000623069791	high	2.65	-47.93	1	320.437	1.638	3	3	7	COC[C@]1(CNC(=O)Nc2cccc(CN(C)C)c2)CCC[NH2+]1
365637937	ZINC000623070711	ref	-0.33	-65.52	1	321.349	1.194	3	3	6	CS(=O)(=O)c1ccc(NC(=O)N[C@H](CC[NH3+])C(F)F)cc1
178303314	ZINC000020083125	ref	6.37	-47.5	1	230.315	2.159	1	3	3	Cc1cc2ncc([C@H](C)[NH2+]C3CC3)c(C)n2n1
349535124	ZINC000602430728	ref	3.51	-36.93	1	230.308	0.298	2	3	6	CC[NH2+][C@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C
178303317	ZINC000020083125	high	5.27	-7.59	0	230.315	2.159	1	4	3	Cc1cc2ncc([C@H](C)NC3CC3)c(C)n2n1
398245568	ZINC000390766720	ref	3.73	-35.99	1	210.321	1.433	2	1	2	CC1(C)C[NH2+][C@@H]1C(=O)NC1CCCCC1
342079997	ZINC000625315132	ref	9.5	-43.67	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C
342079998	ZINC000625315132	mid	8.54	-44.21	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C
342079999	ZINC000625315132	mid	10.01	-85.32	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C
349535126	ZINC000621242617	ref	4.1	-7.46	0	282.434	2.246	1	4	3	CCCc1ccc([C@@H]2NC(=O)[C@H]3CSCCN32)s1
222608744	ZINC000222551709	ref	7.39	-21.45	0	388.83	3.433	2	4	5	Cc1cc(NC(=O)CCNC(=O)c2ccc3nc(Cl)n(C)c3c2)ccc1F
398245569	ZINC000390766720	high	2.15	-6.03	0	210.321	1.433	2	2	2	CC1(C)CN[C@@H]1C(=O)NC1CCCCC1
342080000	ZINC000625315132	mid	9.05	-79.91	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C
342080001	ZINC000625315900	ref	7.01	-43.25	-1	298.354	1.584	2	5	4	Cc1n[nH]c(C)c1N=c1[n-]nc(-c2cn[nH]c2)n1CC1CC1
342080002	ZINC000625315900	low	7.66	-14.74	0	298.354	1.584	3	4	4	Cc1n[nH]c(C)c1[NH+]=c1[n-]nc(-c2cn[nH]c2)n1CC1CC1
342080003	ZINC000625315979	ref	1.89	-6.27	0	281.356	1.566	0	6	6	CCO[C@@H](CN1CCOC[C@@H]1c1noc(C)n1)C1CC1
349535129	ZINC000621242147	ref	6.97	-47.69	-1	253.342	2.184	1	3	6	CC1CC(CNC(=O)CC2(CC(=O)[O-])CCC2)C1
398245570	ZINC000390767042	ref	0.82	-53.42	1	238.328	0.407	2	2	5	O=S(=O)(CCCF)N[C@@H]1CCC[NH2+]CC1
342080004	ZINC000625315509	ref	8.82	-17.1	0	296.334	1.499	1	6	4	Cc1cc(C(=O)NCc2nncn2C2CC2)c2nccn2c1
214187163	ZINC000278486948	ref	5.14	-17.72	0	312.333	1.948	1	7	3	Cc1cc(C(=O)Nc2cc(N(C)C)ncn2)c2c(C)noc2n1
398245571	ZINC000390760212	ref	1.56	-40.09	1	214.309	0.527	2	2	6	COCCCCNC(=O)[C@@H]1[NH2+]CC1(C)C
168366163	ZINC000061796949	ref	2.41	-46.44	1	183.211	-1.106	1	4	2	C[C@@H]([NH3+])Cn1ccn(C)c(=O)c1=O
342080005	ZINC000625315960	ref	8.06	-46.08	1	286.379	1.758	1	4	6	Cn1cc(CC[N@@H+]2CC[C@@H](COc3ccccc3)C2)nn1
342080006	ZINC000625315960	mid	8.12	-45.02	1	286.379	1.758	1	4	6	Cn1cc(CC[N@H+]2CC[C@@H](COc3ccccc3)C2)nn1
342080007	ZINC000625315960	high	5.5	-11.47	0	286.379	1.758	0	5	6	Cn1cc(CCN2CC[C@@H](COc3ccccc3)C2)nn1
342080008	ZINC000625315215	ref	3.8	-45.36	1	278.396	1.961	3	3	7	CCc1cnccc1[C@H](C)[NH2+]C[C@H](O)CC1(O)CCC1
342080009	ZINC000625315215	high	2.68	-5.63	0	278.396	1.961	3	4	7	CCc1cnccc1[C@H](C)NC[C@H](O)CC1(O)CCC1
342080010	ZINC000625315223	ref	3.78	-45.14	1	278.396	1.961	3	3	7	CCc1cnccc1[C@@H](C)[NH2+]C[C@H](O)CC1(O)CCC1
343994049	ZINC000079909866	ref	3.94	-11.88	0	292.36	2.277	1	4	5	C[C@@H]1C[C@H]1c1ccc(CNS(=O)(=O)c2cccnc2)o1
178303316	ZINC000237230882	ref	6.55	-49.4	-1	367.449	1.99	1	5	6	CN1CCN([C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1
178303319	ZINC000237230882	mid	8.9	-73.5	0	367.449	1.99	2	4	6	C[NH+]1CCN([C@H](C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1
342080011	ZINC000625315223	high	2.76	-6.16	0	278.396	1.961	3	4	7	CCc1cnccc1[C@@H](C)NC[C@H](O)CC1(O)CCC1
282122973	ZINC000125802088	ref	8.49	-59.59	-1	291.307	2.769	1	6	7	CCC(CC)(CNc1cccc(C#N)c1[N+](=O)[O-])C(=O)[O-]
342080012	ZINC000625316179	ref	7.48	-13.32	0	264.329	1.044	1	5	7	CCO[C@@H](C(=O)NCc1nncn1C1CC1)C1CC1
342080013	ZINC000625315133	ref	8.66	-43.28	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C
342080014	ZINC000625315133	mid	9.43	-43.06	1	276.384	1.277	1	3	3	Cc1cncn1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C
342080015	ZINC000625315133	mid	9.17	-79.63	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C
212168866	ZINC000335491751	ref	5.91	-9.81	0	281.396	2.221	0	3	3	CO[C@H]1CCC[C@@H](CC(=O)N2CC3(CCCOC3)C2)C1
342080016	ZINC000625315133	mid	9.95	-79.53	2	276.384	1.277	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C
212168889	ZINC000335490973	ref	6.22	-11.92	0	293.31	3.231	1	3	2	Cc1cc(C(=O)N[C@@H]2CS[C@@H](C)C2)c(C(F)(F)F)o1
212168892	ZINC000335491872	ref	4.06	-9.04	0	254.374	2.121	2	2	3	C[C@@H]1CN(C(=O)NCCC2(O)CCC2)C(C)(C)C1
212168895	ZINC000335491531	ref	5.64	-9.8	0	261.312	2.494	1	2	2	CC1(C)C[C@H](NC(=O)[C@@]2(C)CC2(F)F)C(C)(C)O1
342080017	ZINC000625315464	ref	2.06	-7.83	0	298.427	1.105	1	4	3	C[C@@H](O)CN1CCN(C(=O)[C@H]2CC(C)(C)OC2(C)C)CC1
342080018	ZINC000625315464	mid	4.0	-47.43	1	298.427	1.105	2	3	3	C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CC(C)(C)OC2(C)C)CC1
342080019	ZINC000625315549	ref	1.4	-6.57	0	253.346	1.834	2	5	5	CC(C)(C)[C@@H](CO)NCc1noc(C2CCC2)n1
342080020	ZINC000625315549	low	2.43	-33.41	1	253.346	1.834	2	4	5	CC(C)(C)[C@@H](CO)[NH2+]Cc1noc(C2CCC2)n1
342080021	ZINC000625315256	ref	1.37	-7.21	0	287.363	1.788	1	5	7	COc1cncc(CN(CCO)Cc2ccc(C)cc2)n1
342080022	ZINC000625315256	mid	3.46	-38.94	1	287.363	1.788	2	4	7	COc1cncc(C[N@H+](CCO)Cc2ccc(C)cc2)n1
342080023	ZINC000625315256	mid	3.5	-38.52	1	287.363	1.788	2	4	7	COc1cncc(C[N@@H+](CCO)Cc2ccc(C)cc2)n1
342080024	ZINC000625316439	ref	0.98	-11.36	0	259.231	1.208	2	3	4	NC(=O)C1(NCc2cccnc2C(F)(F)F)CC1
214187164	ZINC000337628089	ref	10.4	-48.24	1	267.332	3.097	1	3	5	C[N@@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccoc1
342596535	ZINC000616972552	ref	3.07	-19.23	0	287.146	1.541	2	2	3	O=C(Cc1ccc(Cl)c(Cl)c1)N[C@H]1CCNC1=O
214187167	ZINC000337628089	mid	10.36	-48.21	1	267.332	3.097	1	3	5	C[N@H+](Cc1ccc(-n2ccnc2)cc1)Cc1ccoc1
342596536	ZINC000616972253	ref	4.57	-18.31	0	292.766	1.667	2	2	4	O=C1NCC[C@@H]1NC(=O)C1(Cc2cccc(Cl)c2)CC1
214187169	ZINC000337628089	mid	8.03	-8.65	0	267.332	3.097	0	4	5	CN(Cc1ccc(-n2ccnc2)cc1)Cc1ccoc1
214187171	ZINC000337628089	low	10.92	-86.27	2	267.332	3.097	1	2	5	C[N@@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccoc1
214187175	ZINC000337628089	low	10.88	-86.18	2	267.332	3.097	1	2	5	C[N@H+](Cc1ccc(-n2cc[nH+]c2)cc1)Cc1ccoc1
214187177	ZINC000337627057	ref	3.08	-18.0	0	272.345	-0.145	1	4	8	CC[C@@H](C(=O)N(C)CCOCCO)N1CCCC1=O
214187182	ZINC000337625297	ref	4.08	-6.98	0	259.415	2.043	2	3	6	CSCC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1CCO
214187186	ZINC000337625415	ref	5.55	-14.12	0	298.77	2.149	1	3	5	CN(CCOc1ccccc1Cl)C(=O)N[C@H]1CCOC1
214187190	ZINC000337624996	ref	1.78	-11.52	0	291.367	0.823	3	3	10	CC(C)COCCCNC(=O)N[C@H](C)C(=O)NCCF
342596537	ZINC000616972458	ref	4.18	-18.26	0	258.321	1.111	2	2	4	O=C(Cc1cccc(C2CC2)c1)N[C@@H]1CCNC1=O
349535127	ZINC000602430728	high	2.28	-5.22	0	230.308	0.298	2	4	6	CCN[C@H](C)C(=O)N[C@@H](C(=O)OC)C(C)C
214187193	ZINC000337627986	ref	2.27	-17.46	0	296.371	0.365	2	3	2	O=C(N[C@H]1CCOC1)N1CCC(N2CCCNC2=O)CC1
214187196	ZINC000337624979	ref	6.11	-41.25	1	261.369	2.061	3	1	5	Cc1ccccc1[C@@H](C)NC(=O)NCC[NH+]1CCC1
214187199	ZINC000337624979	mid	2.93	-9.22	0	261.369	2.061	2	2	5	Cc1ccccc1[C@@H](C)NC(=O)NCCN1CCC1
290622727	ZINC000492523157	ref	6.78	-53.89	-1	298.298	2.197	1	5	6	O=C([O-])COc1ccc(NC(=O)/C=C/c2ccncc2)cc1
214187203	ZINC000337624330	ref	1.54	-10.91	0	271.361	0.408	2	3	4	C[C@H](O)C[C@H]1CCCN1C(=O)N[C@H](C)C(=O)N(C)C
214187204	ZINC000337626265	ref	2.01	-10.84	0	267.329	0.228	1	5	7	CN(CCOCCO)C(=O)c1ccc(N(C)C)cn1
282122974	ZINC000371643983	high	0.59	-15.13	0	312.37	-0.894	1	5	4	CN(C)C[C@@H]1CN(C(=O)CN2C(=O)NC(C)(C)C2=O)CCO1
282122976	ZINC000184556937	ref	6.64	-42.1	1	320.389	1.137	1	4	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc3c2OCO3)CCO1
342596538	ZINC000616972896	ref	3.8	-17.1	0	298.795	1.827	2	3	5	O=C(CCSc1ccccc1Cl)N[C@@H]1CCNC1=O
365637897	ZINC000580540906	ref	3.51	-35.25	1	223.32	1.847	2	2	5	COC1([C@@H](C)[NH2+]Cc2cc[nH]n2)CCCC1
365637904	ZINC000580540906	mid	2.4	-5.66	0	223.32	1.847	2	3	5	COC1([C@@H](C)NCc2cc[nH]n2)CCCC1
365637909	ZINC000580540906	low	3.48	-41.49	1	223.32	1.847	2	2	5	COC1([C@@H](C)[NH2+]Cc2ccn[nH]2)CCCC1
178303320	ZINC000237240572	ref	4.77	-70.94	-1	350.396	1.955	0	7	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2nc(-c3cccs3)oc2C)C1
178303331	ZINC000237227452	ref	8.46	-57.41	-1	369.215	1.735	0	4	5	CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1
178303336	ZINC000237233124	ref	8.44	-62.53	-1	351.447	1.789	0	6	7	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)CCc2c(C)nn(CC(C)C)c2C)C1
230731926	ZINC000425465138	ref	3.76	-9.68	0	317.436	2.041	2	6	6	COC(=O)c1cnc([C@@H](C)NC(=O)NC[C@H](C)SC)s1
365637918	ZINC000576605267	ref	5.65	-42.66	1	228.336	1.012	2	2	6	CCO[C@@H](CC)C(=O)N[C@@H]1CC[N@H+](CC)C1
365637925	ZINC000576605267	mid	5.76	-43.52	1	228.336	1.012	2	2	6	CCO[C@@H](CC)C(=O)N[C@@H]1CC[N@@H+](CC)C1
178303340	ZINC000237236036	ref	3.78	-54.75	1	373.457	1.458	2	6	8	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@H]3CCC[C@H]3C[NH3+])n2)cc1
178303341	ZINC000237235439	ref	6.23	-52.58	1	355.438	1.979	2	3	8	COc1ccc(CCNC(=O)c2ccccc2N(C)C(=O)CC[NH3+])cc1
365637930	ZINC000576605267	high	3.28	-8.02	0	228.336	1.012	1	3	6	CCO[C@@H](CC)C(=O)N[C@@H]1CCN(CC)C1
365637935	ZINC000175975760	ref	7.44	-44.23	1	238.375	2.119	1	1	3	CCC1(C(=O)N2CCC([NH+](C)C)CC2)CCC1
185089129	ZINC000096075991	mid	6.16	-42.26	1	272.352	1.177	1	3	3	O=C(c1cnccn1)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
365637942	ZINC000576600621	ref	3.29	-7.2	0	228.292	1.148	1	3	1	CC1(C)COC[C@@H]1NC(=O)N1CCCCO1
365637949	ZINC000175979044	ref	0.46	-8.93	0	227.304	0.665	2	3	1	C[C@]1(O)CCN(C(=O)C2(O)CCCCC2)C1
365637965	ZINC000576605613	ref	7.53	-41.75	1	249.358	1.772	1	2	7	CN(Cc1ccncc1)C(=O)CCCC[NH+](C)C
365637976	ZINC000576601667	ref	5.76	-39.3	1	235.327	2.394	2	2	4	OCc1ccc(C[NH+]2CC(C3CCCC3)C2)o1
178303345	ZINC000237232599	ref	3.89	-55.95	1	359.43	1.87	2	6	8	COCCCOc1ccccc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1
365637981	ZINC000576601667	mid	2.57	-6.52	0	235.327	2.394	1	3	4	OCc1ccc(CN2CC(C3CCCC3)C2)o1
365637990	ZINC000175975694	ref	8.4	-40.43	1	236.359	1.585	1	1	3	C[NH+](C)C1CCN(C(=O)[C@@H]2C[C@@H]2C2CC2)CC1
365638003	ZINC000576604064	ref	6.02	-34.17	1	241.375	2.35	1	2	7	C[C@H]([NH2+]CCOCC1CCC1)[C@]1(C)CCCO1
365638014	ZINC000576605672	ref	7.55	-6.47	0	243.354	3.708	2	2	5	CCc1ccc(CC)c(N[C@H](C)c2ncc[nH]2)c1
282122978	ZINC000165050621	ref	7.37	-54.98	-1	296.323	2.906	1	6	8	CCC(CC)(CNc1cc(OC)ccc1[N+](=O)[O-])C(=O)[O-]
178303322	ZINC000035602262	ref	2.96	-47.57	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@H](C)[NH2+][C@@H](C)CO)c(C)n2n1
342596539	ZINC000616973143	ref	3.39	-16.55	0	252.358	1.453	2	2	2	C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCNC2=O)C1(C)C
222608742	ZINC000283683230	ref	7.12	-21.25	0	302.374	1.749	1	3	7	C=CCCC(=O)N[C@@H]1CCN(C(=O)COc2ccccc2)C1
222608747	ZINC000283697655	ref	4.18	-11.61	0	320.389	1.882	1	5	7	CCOc1ccc(C2(CNC(=O)/C=N/OC)CCOCC2)cc1
282122980	ZINC000165056158	ref	8.49	-52.04	-1	291.307	2.769	1	6	7	CCC(CC)(CNc1ccc(C#N)cc1[N+](=O)[O-])C(=O)[O-]
342596540	ZINC000616976458	ref	4.06	-14.92	0	261.387	1.458	0	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCCS(=O)(=O)C1
178303323	ZINC000035602262	high	1.93	-9.27	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@H](C)N[C@@H](C)CO)c(C)n2n1
342596541	ZINC000616976475	ref	7.77	-16.31	0	267.373	1.533	0	2	6	CC[C@@H](C)N(CC)C(=O)CN1CCN(C2CC2)C1=O
342596542	ZINC000616972824	ref	3.12	-16.53	0	250.342	1.207	2	2	2	O=C(N[C@H]1CCNC1=O)C1[C@@H]2CCCCCC[C@@H]12
222608765	ZINC000283702317	ref	11.01	-17.25	0	315.377	1.849	1	6	5	C=C(C)Cn1c(-c2ccc[nH]2)nnc1N1CC[C@H](C(=O)OC)C1
342596543	ZINC000616972849	ref	2.8	-19.72	0	296.754	1.745	2	3	4	CC(C)Oc1ccc(C(=O)N[C@H]2CCNC2=O)c(Cl)c1
136229300	ZINC000292840134	ref	7.03	-3.4	0	231.286	2.989	0	1	4	C=CCC(F)(F)C(=O)N1CCCC[C@H]1CC
136229301	ZINC000292819140	ref	6.46	-4.17	0	239.265	2.823	1	1	5	C=CCC(F)(F)C(=O)NCc1cccc(C)c1
222608771	ZINC000283699569	ref	4.87	-7.84	0	320.389	1.745	1	4	7	C=C(C)CN(CC)C(=O)C(=O)NCc1ccc(OC)cc1OC
342596544	ZINC000616973046	ref	2.77	-22.13	0	296.33	1.07	2	4	3	Cc1ccc(-c2ccc(C(=O)N[C@@H]3CCNC3=O)cc2)nn1
136229302	ZINC000292827775	ref	5.05	-10.14	0	245.286	1.12	2	6	5	C=C[C@@H](CO)Nc1ncnc2c1ncn2C1CC1
136229303	ZINC000232473159	ref	6.53	-35.6	1	230.355	2.406	2	1	3	c1ccc2c(c1)CCC[C@H]2NC[C@@H]1CCC[NH2+]1
178303328	ZINC000001590463	ref	2.56	-13.25	0	237.288	0.319	1	6	3	Cc1cc2nc(SCC(N)=O)nn2c(C)n1
136229304	ZINC000232473159	low	7.37	-124.49	2	230.355	2.406	2	0	3	c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]1
349535128	ZINC000594969767	high	4.23	-13.27	0	299.411	2.614	1	3	5	COc1ccc(F)cc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1
349535132	ZINC000594969587	ref	5.32	-37.75	1	299.509	2.969	1	4	6	CSCc1cnc(C[NH2+]C[C@H]2CCN2C(C)(C)C)s1
349535136	ZINC000594969587	mid	7.52	-31.82	1	299.509	2.969	2	4	6	CSCc1cnc(CNC[C@H]2CC[N@@H+]2C(C)(C)C)s1
365637900	ZINC000625080627	ref	5.18	-8.02	0	313.41	2.499	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1CCCOC[C@H]1C
365637908	ZINC000625082149	ref	7.77	-24.05	0	321.38	2.112	2	3	5	O=C(CCNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)Nc1ccccn1
365637913	ZINC000625079920	ref	1.64	-12.95	0	317.838	2.445	1	4	5	CCCN(Cc1cc(O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1
365637919	ZINC000625079920	low	3.64	-50.15	1	317.838	2.445	2	3	5	CCC[N@H+](Cc1cc(O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1
365637924	ZINC000625079920	low	3.65	-49.64	1	317.838	2.445	2	3	5	CCC[N@@H+](Cc1cc(O)ccc1Cl)[C@@H]1CCS(=O)(=O)C1
365637929	ZINC000625079920	high	2.05	-49.38	-1	317.838	2.445	0	4	5	CCCN(Cc1cc([O-])ccc1Cl)[C@@H]1CCS(=O)(=O)C1
365637936	ZINC000625080330	ref	3.83	-9.19	0	320.499	2.283	2	3	7	CCC(C)(C)CS(=O)(=O)NC(C)(C)C(=O)NCC(C)(C)C
365637943	ZINC000625079715	ref	6.87	-12.77	0	320.437	2.124	0	6	3	CC(C)(C)c1nnc(N2CC3(CCCO3)C2)n1C[C@@H]1CCCO1
342080025	ZINC000625316439	mid	1.66	-44.15	1	259.231	1.208	2	2	4	NC(=O)C1([NH2+]Cc2cccnc2C(F)(F)F)CC1
365637952	ZINC000625083066	ref	3.25	-10.89	0	319.467	2.209	1	4	5	CC(C)OC1CCC(NS(=O)(=O)[C@@H]2COC(C)(C)C2)CC1
365637959	ZINC000625081735	ref	7.4	-11.04	0	308.426	2.053	0	6	6	CC(C)c1nnc(N(C)CC2(C)COC2)n1C[C@@H]1CCCO1
365637964	ZINC000625081221	ref	8.32	-40.95	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@H](C)O1
365637970	ZINC000625081221	mid	8.49	-42.44	1	321.465	2.164	1	2	1	C[C@H]1CN(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)C[C@@H](C)O1
282123649	ZINC000449156284	ref	5.43	-34.48	1	252.402	2.019	1	2	5	COCCN1CC[C@@H]([NH2+][C@@H]2CCCC23CCC3)C1
365637974	ZINC000625081522	ref	3.18	-8.0	0	318.343	2.407	0	5	4	FC(F)(F)CN1CCCN(Cc2noc(C3CCC3)n2)CC1
365637980	ZINC000625080618	ref	7.85	-97.02	2	324.509	2.24	4	2	6	O[C@@H](C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)CC1(O)CCC1
365637985	ZINC000625080618	high	5.51	-35.45	1	324.509	2.24	3	3	6	O[C@@H](CN1CCC(C[NH+]2CCCCCC2)CC1)CC1(O)CCC1
398245572	ZINC000390760212	high	-0.06	-8.45	0	214.309	0.527	2	3	6	COCCCCNC(=O)[C@@H]1NCC1(C)C
365637989	ZINC000625081254	ref	3.19	-9.88	0	306.41	2.074	1	5	5	CC(C)C(=O)NC1CCN(Cc2noc(C3CCC3)n2)CC1
365637996	ZINC000625082012	ref	5.43	-37.23	1	320.33	2.388	1	3	4	OCc1ccc(F)c(CN2CCCN(CC(F)(F)F)CC2)c1
259308383	ZINC000322971998	high	4.39	-7.2	0	234.343	2.828	2	2	3	Cc1cc(CN)cc(NC(=O)CC(C)(C)C)c1
398245573	ZINC000390759442	ref	1.67	-47.68	1	213.325	0.054	2	2	5	CCNC(=O)CN(C)C[C@]1(C)CC[NH2+]C1
222608754	ZINC000291776422	ref	8.75	-14.81	0	324.421	3.213	1	4	9	CC[C@H](C)CONC(=O)N(CC)Cc1ccc(OC)c(OC)c1
342080026	ZINC000625317004	ref	0.61	-6.47	0	273.283	1.689	0	5	5	COc1cncc(CN2CCC[C@@H](OC(F)F)C2)n1
342080027	ZINC000625317004	low	2.42	-41.18	1	273.283	1.689	1	4	5	COc1cncc(C[N@@H+]2CCC[C@@H](OC(F)F)C2)n1
222608758	ZINC000291775109	ref	5.72	-8.0	0	321.302	3.124	2	4	4	Cc1nc(NC[C@@](O)(c2ccccc2)C(F)(F)F)ccc1C#N
214187170	ZINC000278488774	ref	9.24	-16.73	0	304.434	2.76	0	2	4	CC1=CCN(C(=O)CC(C)CC(=O)N2CC=C(C)CC2)CC1
349535131	ZINC000602430137	ref	5.74	-41.44	1	228.336	1.521	1	3	10	COCC[NH+](CCOC)C[C@@H](C)CCC#N
342080028	ZINC000625317004	low	2.9	-40.86	1	273.283	1.689	1	4	5	COc1cncc(C[N@H+]2CCC[C@@H](OC(F)F)C2)n1
365637905	ZINC000637720280	ref	7.56	-10.86	0	266.341	1.876	0	4	8	CCCCN(C(=O)[C@@H](COC)OC)c1ccccn1
222608766	ZINC000291776162	ref	6.72	-12.73	0	324.371	3.251	2	2	5	O=C(NCC1CC(F)(F)C1)N[C@H](c1ccccc1)[C@@H]1CCCO1
342080029	ZINC000625316992	ref	5.87	-47.69	1	292.383	1.954	1	5	9	CC(C)COC[C@@H]([NH2+]CCc1cn(C)nn1)c1ccco1
342080030	ZINC000625316992	mid	4.6	-14.78	0	292.383	1.954	1	6	9	CC(C)COC[C@@H](NCCc1cn(C)nn1)c1ccco1
342080031	ZINC000625316533	ref	2.61	-8.41	0	280.368	1.298	1	4	5	C[C@@H](CC(=O)N1CCN(C[C@@H](C)O)CC1)c1ccco1
342080032	ZINC000625316533	mid	4.95	-44.34	1	280.368	1.298	2	3	5	C[C@@H](CC(=O)N1CC[NH+](C[C@@H](C)O)CC1)c1ccco1
365637911	ZINC000274365965	ref	3.35	-18.94	0	276.312	1.096	2	4	5	O=C(NCCc1cn2c(n1)SCC2)NCC(F)F
349535135	ZINC000258910232	ref	9.91	-37.99	0	233.311	2.292	1	2	5	Cc1ccccc1C[N@@H+](C)CC1(C(=O)[O-])CC1
365637917	ZINC000274366282	ref	2.99	-13.33	0	262.313	1.556	2	4	2	O=C(Nc1cncnc1)N[C@@H]1CCC[C@H]2OCC[C@@H]12
342080033	ZINC000625315884	ref	5.3	-38.65	1	276.38	1.566	3	2	5	C[C@H](O)[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccccc2)C1
342080034	ZINC000625315884	mid	5.26	-38.05	1	276.38	1.566	3	2	5	C[C@H](O)[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccccc2)C1
365637922	ZINC000274365558	ref	4.08	-11.53	0	283.763	1.593	2	5	4	CNc1c(Cl)ncnc1N[C@H]1CC(=O)N(C(C)C)C1
214187172	ZINC000278488798	ref	5.53	-20.78	0	305.3	2.169	1	3	3	CO[C@@H](C)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
342080035	ZINC000625315884	mid	2.93	-9.0	0	276.38	1.566	2	3	5	C[C@H](O)[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2)C1
342080036	ZINC000625316637	ref	2.82	-37.96	1	257.374	1.179	2	3	8	CCO[C@H](C[NH2+][C@H](CO)C1CCOCC1)C1CC1
282122981	ZINC000184556937	high	4.09	-11.34	0	320.389	1.137	0	5	5	CN(C)C[C@@H]1CN(C(=O)CCc2cccc3c2OCO3)CCO1
282122984	ZINC000174923689	ref	4.84	-38.86	1	270.373	0.471	2	3	4	C[NH+](C)C[C@@H]1CN(C(=O)CC2(O)CCCC2)CCO1
365637921	ZINC000336555021	mid	7.73	-34.92	1	279.405	2.192	1	3	3	c1ccc([C@@H]2CSCC[N@@H+]2C[C@H]2COCCO2)cc1
214187176	ZINC000278488798	mid	5.44	-15.55	0	305.3	2.169	1	3	3	CO[C@@H](C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
282122987	ZINC000174923689	high	2.28	-7.96	0	270.373	0.471	1	4	4	CN(C)C[C@@H]1CN(C(=O)CC2(O)CCCC2)CCO1
192037663	ZINC000273076591	ref	7.93	-8.51	0	275.396	2.745	1	2	2	C[C@@H]1CN(C(=O)NCc2ccn(C)c2)[C@H]2CCCC[C@@H]12
192037666	ZINC000273076653	ref	4.03	-9.48	0	251.326	1.568	1	3	7	COC[C@@H](CNC(=O)[C@H](C)c1ccccc1)OC
192037669	ZINC000273076658	ref	4.12	-8.75	0	251.326	1.568	1	3	7	COC[C@H](CNC(=O)[C@H](C)c1ccccc1)OC
192037671	ZINC000273076656	ref	4.03	-9.38	0	251.326	1.568	1	3	7	COC[C@@H](CNC(=O)[C@@H](C)c1ccccc1)OC
136229305	ZINC000293335108	ref	2.79	-5.35	0	247.285	1.865	2	2	5	C=CCC(F)(F)C(=O)N[C@@H]1CC[C@@H](CO)CC1
192037673	ZINC000273076600	ref	4.55	-12.91	0	281.312	2.005	1	5	5	COCc1nsc(NC(=O)Cc2ccccc2F)n1
398245574	ZINC000390759442	low	3.16	-103.78	2	213.325	0.054	3	1	5	CCNC(=O)C[N@H+](C)C[C@]1(C)CC[NH2+]C1
230731955	ZINC000425466115	ref	6.39	-12.73	0	301.39	2.236	2	3	6	COC[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H](C#N)C1
192037675	ZINC000273076668	ref	6.72	-40.13	1	286.375	3.214	3	2	5	CCC[C@@H](C(=O)Nc1cccc2ccc(O)cc12)[NH+](C)C
178303338	ZINC000298269342	ref	5.05	-11.79	0	230.271	1.192	0	4	1	Cc1cc2ncc(C(=O)N3CCC3)c(C)n2n1
192037676	ZINC000273076668	mid	4.1	-8.61	0	286.375	3.214	2	3	5	CCC[C@@H](C(=O)Nc1cccc2ccc(O)cc12)N(C)C
365637926	ZINC000336555021	high	5.89	-3.95	0	279.405	2.192	0	4	3	c1ccc([C@@H]2CSCCN2C[C@H]2COCCO2)cc1
192037678	ZINC000273076584	ref	2.04	-13.88	0	295.32	1.651	2	7	5	COCc1nsc(NC(=O)c2cccc(OC)c2O)n1
192037681	ZINC000273076584	high	3.12	-52.13	-1	295.32	1.651	1	7	5	COCc1nsc(NC(=O)c2cccc(OC)c2[O-])n1
136229306	ZINC000195250640	ref	2.27	-10.25	0	235.349	1.129	1	3	7	CO[C@@H](C)CS(=O)(=O)N[C@@H](C)CC1CC1
343994050	ZINC000079909866	high	3.56	-45.27	-1	292.36	2.277	0	4	5	C[C@@H]1C[C@H]1c1ccc(C[N-]S(=O)(=O)c2cccnc2)o1
192037685	ZINC000273076671	ref	6.44	-40.46	1	286.375	3.214	3	2	5	CCC[C@H](C(=O)Nc1cccc2ccc(O)cc12)[NH+](C)C
398245575	ZINC000390759442	low	3.19	-104.87	2	213.325	0.054	3	1	5	CCNC(=O)C[N@@H+](C)C[C@]1(C)CC[NH2+]C1
342596545	ZINC000616972572	ref	1.98	-65.32	-1	288.225	1.029	2	3	2	O=C(N[C@@H]1CCNC1=O)c1cccc(C(F)(F)F)c1[O-]
178303343	ZINC000103596946	ref	4.78	-43.5	-1	209.274	0.869	0	4	0	Cc1cc2[n-]c(=S)n(C)c(=O)c2n1C
342596546	ZINC000616972572	mid	0.99	-21.18	0	288.225	1.029	3	3	2	O=C(N[C@@H]1CCNC1=O)c1cccc(C(F)(F)F)c1O
222608777	ZINC000222543232	ref	4.62	-14.15	0	392.477	1.819	1	5	9	COc1ccc(S(=O)(=O)N(C)CC(=O)NCCOc2ccc(C)cc2)cc1
342596547	ZINC000616972232	ref	3.73	-17.7	0	260.337	1.602	2	2	2	CC(C)(C)c1ccc(C(=O)N[C@@H]2CCNC2=O)cc1
342596548	ZINC000616972555	ref	4.59	-18.29	0	272.348	1.962	2	2	3	O=C(N[C@@H]1CCNC1=O)c1cccc(C2CCCC2)c1
197594168	ZINC000290095156	ref	3.77	-7.96	0	289.383	2.319	0	6	3	Cc1cnn([C@@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)c1
197594170	ZINC000290095156	low	6.1	-46.73	1	289.383	2.319	1	5	3	Cc1cnn([C@@H]2CC[N@H+](Cc3nc(C(C)(C)C)no3)C2)c1
197594172	ZINC000290095156	low	6.27	-46.97	1	289.383	2.319	1	5	3	Cc1cnn([C@@H]2CC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)c1
342596549	ZINC000616976480	ref	8.41	-24.48	0	296.411	1.803	0	3	5	CC[C@H](C)N(CC)C(=O)[C@@H]1CC[C@H](C(=O)N2CCCC2)O1
136229307	ZINC000293327167	ref	4.28	-4.84	0	239.746	2.274	1	2	6	C=C(Cl)CN(C)C[C@H](O)Cc1ccccc1
178303347	ZINC000103596946	mid	5.24	-11.47	0	209.274	0.869	1	4	0	Cc1cc2[nH]c(=S)n(C)c(=O)c2n1C
259308385	ZINC000180697503	ref	7.82	-5.78	0	246.379	3.705	0	3	3	Cc1cc(C)cc(N(C)Cc2scnc2C)c1
342596550	ZINC000194483023	ref	5.4	-10.39	0	290.392	1.984	1	5	4	CSC1(CNC(=O)c2ccc3nnn(C)c3c2)CCC1
342596551	ZINC000616972265	ref	4.61	-21.05	0	290.363	1.502	2	3	5	Cc1ccc(C(C)C)c(OCC(=O)N[C@H]2CCNC2=O)c1
342596552	ZINC000616972714	ref	3.35	-22.2	0	292.335	1.101	2	4	5	COc1cccc(C(=O)N[C@@H]2CCNC2=O)c1OC(C)C
342596553	ZINC000616972663	ref	4.27	-15.74	0	294.782	1.913	2	2	4	CC(C)(Cc1ccc(Cl)cc1)C(=O)N[C@H]1CCNC1=O
178303349	ZINC000000153790	ref	8.1	-9.87	0	243.697	3.358	0	3	1	Cc1cc2nccc(-c3ccc(Cl)cc3)n2n1
342596554	ZINC000616972822	ref	3.18	-16.26	0	250.342	1.207	2	2	2	O=C(N[C@H]1CCNC1=O)C1[C@H]2CCCCCC[C@H]12
178303351	ZINC000051119592	ref	5.54	-37.95	1	215.3	2.604	2	1	1	Cc1cc2nc([C@H]3CCC[NH2+]3)[nH]c2cc1C
342596555	ZINC000616973043	ref	2.77	-22.12	0	296.33	1.07	2	4	3	Cc1ccc(-c2ccc(C(=O)N[C@H]3CCNC3=O)cc2)nn1
342596556	ZINC000616972287	ref	2.44	-21.04	0	250.323	1.027	2	3	3	CSc1cccc(C(=O)N[C@@H]2CCNC2=O)c1
342080037	ZINC000625315780	ref	1.84	-38.44	1	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)C[C@H]2CCCC[C@@H]2O)n1
214187181	ZINC000278487653	ref	4.46	-8.56	0	319.38	2.536	1	5	6	CN(Cc1nc(Cc2cccc(F)c2)no1)CC1(O)CCCC1
214187184	ZINC000278487653	mid	6.23	-41.38	1	319.38	2.536	2	4	6	C[N@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1(O)CCCC1
214187187	ZINC000278487653	mid	6.63	-43.7	1	319.38	2.536	2	4	6	C[N@@H+](Cc1nc(Cc2cccc(F)c2)no1)CC1(O)CCCC1
214187188	ZINC000278488247	ref	6.49	-37.37	1	318.442	2.947	0	3	1	Cc1cc(N2CCC(C)(C)S(=O)(=O)CC2)c2ccccc2[nH+]1
365637923	ZINC000354711285	ref	2.87	-33.94	-1	257.359	1.128	0	5	4	COCCc1nc(=N[C@H]2CCO[C@@H](C)C2)s[n-]1
214187192	ZINC000278488247	high	6.11	-12.08	0	318.442	2.947	0	4	1	Cc1cc(N2CCC(C)(C)S(=O)(=O)CC2)c2ccccc2n1
214187195	ZINC000278486731	ref	4.34	-49.09	1	304.375	2.681	1	6	7	CCc1nc(CC[NH2+]Cc2cnc(-c3ccco3)s2)no1
214187197	ZINC000278486731	high	2.98	-9.86	0	304.375	2.681	1	7	7	CCc1nc(CCNCc2cnc(-c3ccco3)s2)no1
365637932	ZINC000354711285	low	3.23	-6.06	0	257.359	1.128	1	6	5	COCCc1nsc(N[C@H]2CCO[C@@H](C)C2)n1
214187202	ZINC000278488801	ref	4.71	-7.0	0	318.417	1.355	2	3	5	C[C@@H]1CCCN(C(=O)C(=O)NC[C@H](O)CCc2ccccc2)C1
365637939	ZINC000354712179	ref	7.62	-40.21	1	270.373	1.128	1	3	5	CCN(CCC(=O)OC)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1
214187207	ZINC000278488883	ref	7.34	-7.29	0	321.377	2.658	1	4	4	CC(C)N(Cc1cccs1)C(=O)C(=O)Nc1ccc(F)cn1
214187208	ZINC000278488689	ref	2.6	-13.4	0	308.765	2.359	2	3	4	C=C(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(C(N)=O)c(Cl)c1
282122982	ZINC000314173156	ref	4.8	-53.93	-1	317.382	2.532	1	5	7	CCC(CC)(CNc1ccc(S(C)(=O)=O)cc1F)C(=O)[O-]
282122986	ZINC000443890095	ref	8.28	-7.7	0	280.324	2.986	1	5	7	CCC(CC)(CNc1ccccc1[N+](=O)[O-])C(=O)OC
342080038	ZINC000625315780	mid	2.39	-37.73	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)n1
342080039	ZINC000625315780	mid	0.37	-4.96	0	265.357	1.468	1	5	5	COc1cncc(CN(C)C[C@H]2CCCC[C@@H]2O)n1
282122990	ZINC000262052963	ref	4.87	-58.96	-1	309.322	1.997	2	6	8	CCC(CC)(CNc1ccc(C(N)=O)cc1[N+](=O)[O-])C(=O)[O-]
342080040	ZINC000625316655	ref	0.82	-6.8	0	251.33	1.54	1	5	4	C[C@@H](O)[C@@H]1CCN(Cc2noc(C3CCC3)n2)C1
259308387	ZINC000089151177	ref	6.39	-33.92	1	239.403	3.096	2	1	5	CCCC1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1
342080041	ZINC000625316655	low	3.32	-32.98	1	251.33	1.54	2	4	4	C[C@@H](O)[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1
342080042	ZINC000625316655	low	3.26	-33.22	1	251.33	1.54	2	4	4	C[C@@H](O)[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1
365637928	ZINC000274367026	ref	2.46	-8.88	0	268.357	1.241	1	4	12	COCCOCCOCCC[NH2+]Cc1ccccn1
214187191	ZINC000293603321	ref	3.08	-18.21	0	370.413	0.851	3	6	7	Cn1ncc(CCCNC(=O)C(=O)Nc2ccc(NC(=O)C3CC3)cc2)n1
214187200	ZINC000293604401	ref	3.89	-12.46	0	360.393	0.834	1	6	5	CCn1ncc(C(=O)N2CCN(CC(=O)Nc3ccccc3F)CC2)n1
342080043	ZINC000625316347	ref	6.6	-41.11	1	282.428	1.897	2	2	4	CC(C)(C)CNC(=O)C[NH+]1CCC([C@@H]2CCOC2)CC1
214187206	ZINC000293602893	ref	3.05	-17.8	0	356.444	0.739	0	5	6	COc1cccc(OC)c1CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1
342080044	ZINC000625316347	mid	4.46	-8.21	0	282.428	1.897	1	3	4	CC(C)(C)CNC(=O)CN1CCC([C@@H]2CCOC2)CC1
342080045	ZINC000625315176	ref	5.32	-39.87	1	268.401	1.696	2	2	5	CC(C)(C)CNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1
342080046	ZINC000625315176	high	4.35	-7.84	0	268.401	1.696	2	3	5	CC(C)(C)CNC(=O)CN[C@@]1(C)CCO[C@H]1C1CC1
342080047	ZINC000625315650	ref	3.61	-43.96	1	297.37	1.89	2	3	7	CO[C@H](C[NH2+][C@H](CO)C1CCOCC1)c1ccc(F)cc1
342080048	ZINC000625315243	ref	6.0	-17.26	0	277.368	1.78	0	4	3	COC1CC(C(=O)N2CCC[C@@H](n3cc(C)cn3)C2)C1
214187213	ZINC000293603554	ref	3.24	-13.43	0	350.327	0.388	1	7	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2
342080049	ZINC000625315647	ref	1.34	-10.56	0	259.313	1.006	0	6	3	COc1cncc(CN2CCn3cc(C)nc3C2)n1
214187219	ZINC000293604031	ref	1.59	-22.89	0	350.423	0.597	3	6	7	CCOc1cc(NC2CCN(C(=O)CCNC(=O)NC)CC2)ncn1
342080050	ZINC000625315647	low	1.75	-30.27	1	259.313	1.006	0	5	3	COc1cncc(CN2CCn3cc(C)[nH+]c3C2)n1
342080051	ZINC000625316400	ref	7.12	-9.42	0	258.329	1.7	1	5	6	C=CCN(C)c1nnc(-c2cn[nH]c2)n1CC1CC1
342080052	ZINC000625316306	ref	-0.23	-8.64	0	295.289	1.587	2	5	6	COc1cncc(CN[C@@H](CO)c2c(F)cccc2F)n1
342080053	ZINC000625315468	ref	1.85	-10.57	0	298.427	1.105	1	4	3	C[C@@H](O)CN1CCN(C(=O)[C@@H]2CC(C)(C)OC2(C)C)CC1
342080054	ZINC000625315468	mid	4.24	-49.76	1	298.427	1.105	2	3	3	C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CC(C)(C)OC2(C)C)CC1
342080055	ZINC000625315175	ref	5.46	-39.84	1	268.401	1.696	2	2	5	CC(C)(C)CNC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1
342080056	ZINC000625315175	high	4.48	-7.89	0	268.401	1.696	2	3	5	CC(C)(C)CNC(=O)CN[C@]1(C)CCO[C@@H]1C1CC1
178303353	ZINC000237243081	ref	6.03	-55.26	1	367.247	1.868	2	4	8	COCC[NH2+]CC(=O)Nc1ccnn1Cc1ccc(Br)cc1
178303359	ZINC000237243081	mid	4.69	-13.59	0	367.247	1.868	2	5	8	COCCNCC(=O)Nc1ccnn1Cc1ccc(Br)cc1
365637933	ZINC000336554692	ref	5.97	-12.54	0	273.332	2.067	0	3	2	COC1CN(C(=O)c2ccc3c(c2)CCCCC3=O)C1
230731966	ZINC000425466904	ref	5.29	-16.0	0	323.437	2.039	2	3	5	CC(C)CC1(CNC(=O)N[C@H]2CCC(=O)N(C)C2=O)CCCC1
197594178	ZINC000162812577	ref	9.0	-46.89	-1	313.423	2.251	0	7	7	COCCn1c(SCC(=O)[O-])nnc1C1C(C)(C)C1(C)C
365637940	ZINC000336555013	ref	5.36	-38.16	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1
185089131	ZINC000096075991	high	3.15	-10.46	0	272.352	1.177	0	4	3	O=C(c1cnccn1)N1CC[C@]2(CCN2CC2CC2)C1
192037664	ZINC000418464828	ref	4.43	-45.62	1	227.352	1.283	2	1	5	CCC[NH2+]CCNC(=O)N1C[C@@H](C)[C@@H](C)C1
192037665	ZINC000418464111	ref	1.78	-51.74	1	243.351	0.528	3	2	5	CC[C@@]1(CO)CCCN1C(=O)NC[C@@H](C)C[NH3+]
192037667	ZINC000418432418	ref	0.08	-47.34	1	243.351	0.982	3	2	5	CCC([NH3+])(CC)CNC(=O)N[C@]1(C)CCOC1
178303361	ZINC000237229619	ref	4.81	-37.42	1	358.53	1.999	2	3	6	CN1CCN([C@@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
178303364	ZINC000237229619	mid	7.18	-85.83	2	358.53	1.999	3	2	6	C[NH+]1CCN([C@@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
178303366	ZINC000237232788	ref	5.24	-51.21	1	358.438	1.941	2	4	9	COc1ccc(CCNC(=O)[C@H]([NH3+])Cc2ccccc2)c(OC)c1OC
185089133	ZINC000096077260	ref	2.04	-48.93	1	251.355	0.759	1	3	1	CN1CC(=O)N(c2ccsc2)C[C@]12CC[NH2+]C2
192037668	ZINC000418429135	ref	5.09	-54.56	1	247.342	1.904	2	1	6	C=CCCN(C)C(=O)NC[C@H]([NH3+])c1ccccc1
197594181	ZINC000162817838	ref	2.89	-12.61	0	310.151	2.096	1	4	3	CNC(=O)Cc1noc(-c2ccc(Br)cc2C)n1
192037670	ZINC000418429135	high	4.65	-8.71	0	247.342	1.904	2	2	6	C=CCCN(C)C(=O)NC[C@H](N)c1ccccc1
192037672	ZINC000418428631	ref	0.18	-46.99	1	231.34	0.526	3	2	6	CCC([NH3+])(CC)CNC(=O)N(C)[C@H](C)CO
192037674	ZINC000418428565	ref	1.31	-53.72	1	235.278	1.068	3	1	4	[NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NCC(F)F
365637945	ZINC000336555013	mid	5.81	-37.34	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1
342596557	ZINC000616972573	ref	1.98	-65.32	-1	288.225	1.029	2	3	2	O=C(N[C@H]1CCNC1=O)c1cccc(C(F)(F)F)c1[O-]
192037677	ZINC000418432467	ref	-0.52	-51.24	1	245.367	0.963	4	2	7	CCC([NH3+])(CC)CNC(=O)N[C@@H](C)C[C@H](C)O
398245576	ZINC000390762348	ref	6.66	-11.24	0	239.315	2.45	1	2	2	C[C@@H]1SCC[C@@H]1NC(=O)c1ccccc1F
398245577	ZINC000650438326	ref	4.66	-14.5	0	221.247	1.741	1	2	8	C=CCCOCC(=O)NCCC(C)(F)F
342080057	ZINC000625315886	ref	4.97	-38.66	1	276.38	1.566	3	2	5	C[C@H](O)[C@@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccccc2)C1
282122989	ZINC000152222729	ref	9.01	-38.7	1	345.27	2.715	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2cc(Cl)cc(Cl)c2)CCO1
398245578	ZINC000390767045	ref	0.8	-55.22	1	238.328	0.407	2	2	5	O=S(=O)(CCCF)N[C@H]1CCC[NH2+]CC1
398245579	ZINC000390762347	ref	6.28	-12.22	0	239.315	2.45	1	2	2	C[C@H]1SCC[C@@H]1NC(=O)c1ccccc1F
214187214	ZINC000337624851	ref	5.64	-17.96	0	257.293	2.3	1	4	4	CCc1cccnc1NC(=O)c1cccnc1OC
136229308	ZINC000293327167	mid	6.63	-39.96	1	239.746	2.274	2	1	6	C=C(Cl)C[N@H+](C)C[C@H](O)Cc1ccccc1
136229309	ZINC000293327167	mid	6.62	-38.54	1	239.746	2.274	2	1	6	C=C(Cl)C[N@@H+](C)C[C@H](O)Cc1ccccc1
178303362	ZINC000017747435	ref	5.01	-11.54	0	231.259	0.768	0	4	2	Cc1cc2ncc(C(=O)/N=C/N(C)C)cn2n1
178303369	ZINC000051847893	ref	0.81	-49.93	1	219.288	1.56	3	2	2	Cc1cc2nc([C@@H]([NH3+])[C@@H](C)O)[nH]c2cc1C
178303371	ZINC000051847893	mid	0.47	-8.55	0	219.288	1.56	3	3	2	Cc1cc2nc([C@@H](N)[C@@H](C)O)[nH]c2cc1C
178303373	ZINC000051848163	ref	5.13	-7.59	0	216.284	2.684	1	2	1	Cc1cc2nc([C@@H]3CCOC3)[nH]c2cc1C
342080058	ZINC000625315886	mid	4.91	-38.72	1	276.38	1.566	3	2	5	C[C@H](O)[C@@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccccc2)C1
178303375	ZINC000051848163	low	5.57	-27.57	1	216.284	2.684	1	1	1	Cc1cc2[nH]c([C@@H]3CCOC3)[nH+]c2cc1C
178303377	ZINC000104254101	ref	1.95	-59.96	1	247.302	0.391	2	4	4	Cc1cc2ncc(C[NH2+]C(C)(C)C(N)=O)cn2n1
178303381	ZINC000104254101	mid	0.73	-14.84	0	247.302	0.391	2	5	4	Cc1cc2ncc(CNC(C)(C)C(N)=O)cn2n1
178303382	ZINC000057351714	ref	4.25	-11.61	0	249.339	1.768	1	4	3	Cc1cc2nc(SCC(N)=O)n(C)c2cc1C
342080059	ZINC000625315886	mid	2.33	-8.32	0	276.38	1.566	2	3	5	C[C@H](O)[C@@H]1CCN(CC(=O)N[C@H](C)c2ccccc2)C1
178303386	ZINC000263907686	ref	5.01	-9.75	0	244.298	1.484	1	4	2	Cc1cc2ncc(C(=O)N[C@H]3C[C@@H]3C)c(C)n2n1
398245580	ZINC000390764832	ref	4.33	-48.89	1	212.293	0.399	1	2	6	C=CCCOCC(=O)N(C)[C@H]1CC[NH2+]C1
178303394	ZINC000070166074	ref	7.4	-56.58	1	244.342	2.318	1	3	4	Cc1cc2ncc(C[NH2+]CC3CCCC3)cn2n1
342080060	ZINC000625315649	ref	3.5	-43.42	1	297.37	1.89	2	3	7	CO[C@@H](C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(F)cc1
342080061	ZINC000625316260	ref	1.73	-8.89	0	271.292	1.639	2	5	5	OC[C@H](NCc1cnns1)c1c(F)cccc1F
342080062	ZINC000625315885	ref	5.22	-37.86	1	276.38	1.566	3	2	5	C[C@@H](NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1)c1ccccc1
365637934	ZINC000274367026	high	2.46	-8.88	0	268.357	1.241	1	5	12	COCCOCCOCCCNCc1ccccn1
365637938	ZINC000274367468	ref	5.91	-7.45	0	296.33	1.041	1	4	2	CN(C(=O)C(=O)Nc1cncnc1)C1Cc2ccccc2C1
342596558	ZINC000616972573	mid	0.99	-22.39	0	288.225	1.029	3	3	2	O=C(N[C@H]1CCNC1=O)c1cccc(C(F)(F)F)c1O
365637944	ZINC000274364363	ref	4.37	-13.8	0	265.357	1.66	2	3	5	CC(C)O[C@@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1(C)C
178303370	ZINC000237232788	high	4.91	-15.55	0	358.438	1.941	2	5	9	COc1ccc(CCNC(=O)[C@H](N)Cc2ccccc2)c(OC)c1OC
365637951	ZINC000274367128	ref	4.15	-38.11	1	287.367	1.519	0	6	3	C[C@H](c1cnccn1)N1CCO[C@@](C)(c2cnn(C)c2)C1
365637956	ZINC000274367128	low	5.22	-38.37	1	287.367	1.519	1	5	3	C[C@H](c1cnccn1)[N@@H+]1CCO[C@@](C)(c2cnn(C)c2)C1
342596559	ZINC000616972507	ref	3.82	-18.21	0	294.301	1.391	2	2	3	O=C1NCC[C@@H]1NC(=O)C1(c2c(F)cccc2F)CCC1
365637960	ZINC000274367128	low	5.22	-38.37	1	287.367	1.519	1	5	3	C[C@H](c1cnccn1)[N@H+]1CCO[C@@](C)(c2cnn(C)c2)C1
365637966	ZINC000274364408	ref	1.76	-56.94	1	289.335	1.59	3	4	7	C[C@H](CCc1ccc(O)cc1)[NH2+]Cc1cc(C(N)=O)no1
365637971	ZINC000274364408	high	0.72	-9.88	0	289.335	1.59	3	5	7	C[C@H](CCc1ccc(O)cc1)NCc1cc(C(N)=O)no1
365637975	ZINC000274365640	ref	0.87	-12.93	0	277.271	1.176	1	5	7	CO[C@H](C)CCNC(=O)c1cc(OC(F)F)n(C)n1
342596560	ZINC000590781757	ref	6.98	-10.19	0	298.346	1.601	1	4	2	Cc1nc(NC(=O)C(=O)N2CCC[C@H]2C2CC2)ccc1C#N
365637979	ZINC000274365532	ref	2.39	-11.73	0	250.302	1.413	2	4	3	C[C@H]1C[C@H](CNC(=O)Nc2cncnc2)CCO1
365637987	ZINC000274364622	ref	0.83	-12.49	0	297.376	1.086	0	5	2	CS(=O)(=O)c1ccc(N2CCO[C@]3(CCOC3)C2)cc1
282122991	ZINC000152222729	high	6.45	-7.82	0	345.27	2.715	0	3	5	CN(C)C[C@@H]1CN(C(=O)CCc2cc(Cl)cc(Cl)c2)CCO1
365637995	ZINC000274364426	ref	3.92	-6.52	0	276.34	1.358	2	4	3	C[C@H]1CCC[C@@H](CNC(=O)C(=O)Nc2cncnc2)C1
365638002	ZINC000274365983	ref	6.16	-47.96	-1	281.356	1.989	1	5	5	Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)CCC(=O)[O-]
365638011	ZINC000274366505	ref	7.08	-46.82	1	273.315	1.333	0	5	3	Fc1cncc(CN2CCN(c3ncccn3)CC2)c1
342596561	ZINC000616972258	ref	4.57	-16.8	0	274.364	1.568	2	2	5	CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H]1CCNC1=O
365638029	ZINC000274366505	low	7.08	-46.82	1	273.315	1.333	1	4	3	Fc1cncc(C[NH+]2CCN(c3ncccn3)CC2)c1
398245581	ZINC000650438306	ref	5.57	-14.79	0	235.274	1.963	1	2	7	C[C@@H](OCC1CC1)C(=O)NCCC(C)(F)F
222608781	ZINC000283689414	ref	5.26	-10.03	0	313.397	1.722	2	3	2	O=C(C#Cc1ccccc1)NC[C@H]1CCC2(CCOCC2)[C@@H]1O
342596562	ZINC000616972755	ref	4.24	-23.68	0	284.315	1.223	2	3	4	O=C(COc1ccc2ccccc2c1)N[C@@H]1CCNC1=O
365637941	ZINC000354712179	mid	7.45	-45.16	1	270.373	1.128	1	3	5	CCN(CCC(=O)OC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1
306234453	ZINC000557847113	ref	4.77	-17.68	0	337.383	1.244	1	6	6	Cc1nccnc1CCNC(=O)CCn1ncc(=O)c2ccccc21
342596563	ZINC000616972530	ref	2.54	-16.28	0	291.738	1.748	3	2	2	Cc1c(C(=O)N[C@H]2CCNC2=O)[nH]c2c(Cl)cccc12
342596564	ZINC000616972715	ref	3.35	-21.12	0	292.335	1.101	2	4	5	COc1cccc(C(=O)N[C@H]2CCNC2=O)c1OC(C)C
342596565	ZINC000590781564	ref	6.02	-11.29	0	285.347	1.853	2	3	5	C[C@H](CNC(=O)C(=O)Nc1cccc(CC#N)c1)C1CC1
349535133	ZINC000621242441	ref	5.17	-50.55	-1	295.245	2.111	0	6	3	O=C([O-])c1c(-c2cncc(C(F)F)c2)nc2n1CCOC2
349535137	ZINC000621242551	ref	7.34	-54.04	-1	272.304	2.395	0	5	2	Cc1cccc(-c2nc3n(c2C(=O)[O-])CCOC3)c1C
349535141	ZINC000621243515	ref	6.96	-42.56	-1	293.342	2.448	0	4	7	CC(C)OCCCN=c1nc(Cc2ccc(F)cc2)o[n-]1
349535145	ZINC000621242535	ref	6.08	-52.37	-1	288.303	2.096	0	6	3	COc1ccc(-c2nc3n(c2C(=O)[O-])CCOC3)c(C)c1
197594187	ZINC000162815644	ref	5.06	-44.2	1	314.183	2.451	1	3	2	CN1CCC[C@H]([NH3+])[C@@H]1c1ccc(Br)cc1[N+](=O)[O-]
349535147	ZINC000621243497	ref	5.57	-12.91	0	287.367	2.293	3	4	3	C[C@H]1[C@H](C)CCC[C@H]1Nc1ncnc2[nH]cc(C(N)=O)c12
349535150	ZINC000621243497	low	5.95	-33.22	1	287.367	2.293	3	3	3	C[C@H]1[C@H](C)CCC[C@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
178303374	ZINC000237236451	ref	4.25	-50.02	1	370.515	1.937	1	4	9	COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1
349535154	ZINC000621242905	ref	4.76	-9.77	0	281.787	2.035	0	3	3	CC(C)C(=O)N1CCN(Cc2cncc(Cl)c2)CC1
349535158	ZINC000621241871	ref	7.57	-57.23	-1	275.295	2.183	1	3	6	O=C(CC1(C(=O)[O-])CCCC1)NCC[C@@H]1CC1(F)F
178303379	ZINC000237223768	ref	5.5	-58.52	-1	369.18	1.572	1	5	5	COC[C@@](C)(NC(=O)c1csc(I)c1)C(=O)[O-]
349535163	ZINC000621242620	ref	7.49	-54.54	-1	272.304	2.395	0	5	2	Cc1ccc(C)c(-c2nc3n(c2C(=O)[O-])CCOC3)c1
349535166	ZINC000621242953	ref	4.12	-9.95	0	287.182	2.487	1	4	3	CN(CCO)c1nc2c(Br)cccc2s1
349535170	ZINC000621243585	ref	6.94	-50.29	1	298.39	2.031	3	2	4	Cc1nc(C)c(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1
342080063	ZINC000625315885	mid	5.24	-38.4	1	276.38	1.566	3	2	5	C[C@@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1)c1ccccc1
342080064	ZINC000625315885	mid	2.73	-10.46	0	276.38	1.566	2	3	5	C[C@@H](NC(=O)CN1CC[C@@H]([C@@H](C)O)C1)c1ccccc1
365637946	ZINC000623070729	ref	2.68	-47.31	1	321.377	1.298	2	4	3	COc1cc(NC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc(OC)c1
192037679	ZINC000418461595	ref	4.1	-50.82	1	227.352	1.555	2	1	7	CCCCN(C(=O)NC[C@@H](C)C[NH3+])C1CC1
342080065	ZINC000625316883	ref	7.2	-22.34	0	287.31	1.637	0	4	5	Cc1nccn1[C@H]1CCCN(C(=O)COCC(F)F)C1
365637953	ZINC000623070729	mid	1.39	-13.59	0	321.377	1.298	2	5	3	COc1cc(NC(=O)N2CC[C@H]3OCCN[C@@H]3C2)cc(OC)c1
192037680	ZINC000418432354	ref	2.27	-101.68	2	242.367	0.365	4	1	5	C[NH+](C)CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+]
303960017	ZINC000563543450	ref	5.61	-46.42	1	308.378	1.486	2	4	9	CCCC[C@@H](C[NH3+])NC(=O)c1cccc(OCC(=O)OC)c1
342080066	ZINC000625316883	mid	7.67	-41.25	1	287.31	1.637	0	3	5	Cc1[nH+]ccn1[C@H]1CCCN(C(=O)COCC(F)F)C1
342080067	ZINC000625315975	ref	2.3	-7.96	0	281.356	1.566	0	6	6	CCO[C@H](CN1CCOC[C@@H]1c1noc(C)n1)C1CC1
342080068	ZINC000625316653	ref	0.57	-7.21	0	251.33	1.54	1	5	4	C[C@H](O)[C@@H]1CCN(Cc2noc(C3CCC3)n2)C1
342080069	ZINC000625316653	low	2.99	-33.23	1	251.33	1.54	2	4	4	C[C@H](O)[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)C1
342080070	ZINC000625316653	low	3.02	-33.51	1	251.33	1.54	2	4	4	C[C@H](O)[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)C1
342080071	ZINC000625316586	ref	2.99	-10.54	0	290.323	1.665	0	6	3	COc1nc(C(=O)N2CCC[C@H](n3cc(C)cn3)C2)co1
192037682	ZINC000418432354	high	-0.21	-55.52	1	242.367	0.365	3	2	5	CN(C)CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+]
398245582	ZINC000390766368	ref	5.86	-44.27	1	210.321	1.244	1	1	5	CN(CCC1CC1)C(=O)C[C@@H]1CC[NH2+]C1
398245583	ZINC000390767139	ref	4.4	-37.43	1	228.361	0.95	1	2	1	CC1(C)C[NH2+][C@@H]1C(=O)N1CCCSCC1
342080072	ZINC000625315719	ref	3.68	-7.3	0	256.39	1.505	1	3	4	CC(C)[C@H]1CN(CC(=O)NCC(C)(C)C)CCO1
342080073	ZINC000625315719	low	5.45	-37.52	1	256.39	1.505	2	2	4	CC(C)[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)CCO1
342080074	ZINC000625315719	low	5.88	-38.79	1	256.39	1.505	2	2	4	CC(C)[C@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CCO1
192037684	ZINC000418464253	ref	5.18	-45.45	1	229.368	1.673	2	1	8	CCC[NH2+]CCNC(=O)N(C)C[C@@H](C)CC
342080075	ZINC000625315174	ref	4.97	-42.36	1	268.401	1.696	2	2	5	CC(C)(C)CNC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1
342080076	ZINC000625315174	high	3.8	-7.75	0	268.401	1.696	2	3	5	CC(C)(C)CNC(=O)CN[C@@]1(C)CCO[C@@H]1C1CC1
342596566	ZINC000590795035	ref	5.47	-11.83	0	286.401	1.107	0	4	5	CCN(CC)S(=O)(=O)N1CCC[C@@H](n2ccnc2)C1
342596567	ZINC000590795035	low	6.18	-37.98	1	286.401	1.107	0	3	5	CCN(CC)S(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
398245584	ZINC000390767139	high	2.81	-5.65	0	228.361	0.95	1	3	1	CC1(C)CN[C@@H]1C(=O)N1CCCSCC1
192037686	ZINC000418463345	ref	1.25	-45.89	1	231.34	0.71	3	2	8	CCC[NH2+]CCNC(=O)NC(C)(C)COC
342596568	ZINC000590796725	ref	4.25	-11.74	0	279.296	1.89	2	4	2	Cc1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
178303384	ZINC000237233708	ref	6.52	-52.95	1	359.47	1.298	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cc1
168364871	ZINC000368496234	high	8.76	-13.91	0	348.462	3.18	0	3	5	O=C(c1ccccc1F)N1CCCN(CCCC2CCOCC2)CC1
192037688	ZINC000418431262	ref	5.23	-47.49	1	241.379	1.942	2	1	5	CC(C)[C@H](C)N(C(=O)NCC(C)(C)[NH3+])C1CC1
398245585	ZINC000390764833	ref	4.37	-49.24	1	212.293	0.399	1	2	6	C=CCCOCC(=O)N(C)[C@@H]1CC[NH2+]C1
230731976	ZINC000425465140	ref	3.76	-9.61	0	317.436	2.041	2	6	6	COC(=O)c1cnc([C@H](C)NC(=O)NC[C@H](C)SC)s1
192037692	ZINC000418463209	ref	0.94	-51.19	1	231.34	0.385	3	2	8	CCCCN(CCO)C(=O)NC[C@H](C)C[NH3+]
192037694	ZINC000418464162	ref	1.71	-51.64	1	241.335	0.544	2	2	3	C[C@H](C[NH3+])CNC(=O)N1CCO[C@@H]2CCC[C@H]21
192037697	ZINC000418429735	ref	4.05	-35.44	1	227.352	1.577	2	1	6	C=C(C)CN(C)C(=O)N[C@@H](C[NH3+])CC(C)C
192037699	ZINC000418464088	ref	3.86	-47.6	1	243.351	0.806	2	2	9	CCC[NH2+]CCNC(=O)N(CCOC)C1CC1
192037701	ZINC000418464112	ref	1.78	-51.76	1	243.351	0.528	3	2	5	CC[C@@]1(CO)CCCN1C(=O)NC[C@H](C)C[NH3+]
192037703	ZINC000418463950	ref	1.2	-38.18	1	245.367	1.228	3	2	8	CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)COC
230731977	ZINC000425465612	ref	5.13	-11.28	0	304.39	2.309	2	3	7	COc1cccc(COCCNC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)c1
192037704	ZINC000418429717	ref	4.01	-48.41	1	241.379	1.944	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CC[C@H](C)[C@H]1C
342596569	ZINC000590794910	ref	4.77	-17.45	0	299.396	1.029	0	5	4	O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
192037705	ZINC000418464610	ref	1.22	-51.07	1	229.324	0.4	2	2	5	CO[C@@H]1C[C@H](N(C)C(=O)NC[C@@H](C)C[NH3+])C1
192037706	ZINC000418432100	ref	-1.27	-49.3	1	229.324	0.208	4	2	7	C=CC[C@H](CO)CNC(=O)NCC(C)(C)[NH3+]
192037707	ZINC000418431034	ref	3.66	-48.69	1	241.379	1.944	2	1	5	CCC([NH3+])(CC)CNC(=O)N1CC[C@H]1C(C)C
192037708	ZINC000418464735	ref	4.16	-46.96	1	243.351	0.806	2	2	5	CCC[NH2+]CCNC(=O)N1CCCO[C@@H](C)C1
342596570	ZINC000590794910	low	5.48	-46.02	1	299.396	1.029	0	4	4	O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
398245586	ZINC000650438307	ref	5.57	-14.87	0	235.274	1.963	1	2	7	C[C@H](OCC1CC1)C(=O)NCCC(C)(F)F
214187223	ZINC000053524008	ref	6.55	-21.33	0	334.343	2.268	2	7	4	CCn1nnc2cc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)ccc21
214187228	ZINC000053524008	mid	6.57	-18.68	0	334.343	2.268	2	7	4	CCn1nnc2cc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)ccc21
365637947	ZINC000354711419	ref	4.94	-45.45	1	283.416	1.139	2	2	8	CC[C@@H](C)CN(CC)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
214187230	ZINC000053524008	high	6.48	-58.67	-1	334.343	2.268	1	7	4	CCn1nnc2cc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)ccc21
365637955	ZINC000354710080	ref	4.52	-9.7	0	276.38	1.802	1	3	6	C[C@@H]1CC[C@H](CN(C)CC(=O)NCc2ccccc2)O1
214187234	ZINC000053524008	high	6.4	-59.76	-1	334.343	2.268	1	7	4	CCn1nnc2cc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)ccc21
214187236	ZINC000053524008	high	6.39	-59.75	-1	334.343	2.268	1	7	4	CCn1nnc2cc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)ccc21
214187240	ZINC000053534342	ref	10.52	-8.6	0	344.455	4.265	2	2	3	C[C@H](NC(=S)N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1
214187242	ZINC000053546958	ref	7.47	-14.62	0	349.394	2.232	1	6	3	Cn1nc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)ccc1=O
214187245	ZINC000053546958	low	7.88	-37.76	1	349.394	2.232	1	5	3	Cn1nc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)ccc1=O
214187247	ZINC000053525677	ref	7.02	-14.13	0	345.443	2.911	1	4	8	Cc1cccc(OCCN(C)C(=O)NC[C@H](c2ccco2)N(C)C)c1
214187252	ZINC000053525677	mid	9.55	-42.52	1	345.443	2.911	2	3	8	Cc1cccc(OCCN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1
398245587	ZINC000650438401	ref	0.93	-14.17	0	244.316	-0.143	1	3	3	CS(=O)(=O)N1CC[C@H](NC(=O)C2=CCC2)C1
342080077	ZINC000625315778	ref	1.97	-40.22	1	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)C[C@H]2CCCC[C@H]2O)n1
214187256	ZINC000053524992	ref	7.36	-12.58	0	340.195	3.487	2	5	3	O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc(Cl)sc1Cl
214187258	ZINC000053524992	mid	7.37	-10.95	0	340.195	3.487	2	5	3	O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cc(Cl)sc1Cl
214187262	ZINC000053528153	ref	6.59	-9.65	0	349.45	2.641	1	3	4	C[C@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1
342080078	ZINC000625315778	mid	2.62	-39.54	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)n1
342080079	ZINC000625315778	mid	0.49	-5.65	0	265.357	1.468	1	5	5	COc1cncc(CN(C)C[C@H]2CCCC[C@H]2O)n1
343994051	ZINC000079914216	ref	5.84	-17.4	0	282.405	2.087	0	3	8	COCCOCC[S@@](=O)Cc1ccc2c(c1)CCC2
349535134	ZINC000093281807	mid	4.75	-11.39	0	270.373	0.986	0	4	4	COC(=O)C(C)(C)[C@H]1CCCN(CC(=O)N(C)C)C1
192037687	ZINC000273076671	mid	3.72	-9.94	0	286.375	3.214	2	3	5	CCC[C@H](C(=O)Nc1cccc2ccc(O)cc12)N(C)C
192037689	ZINC000273076650	ref	4.12	-8.77	0	251.326	1.568	1	3	7	COC[C@H](CNC(=O)[C@@H](C)c1ccccc1)OC
192037691	ZINC000273076604	ref	1.72	-10.93	0	286.331	1.816	2	4	3	O=C(CN1CCOCC1)Nc1cccc2ccc(O)cc12
136229310	ZINC000292995487	ref	11.45	-10.66	0	248.374	2.966	0	4	6	C=C(C)Cn1c(C2CC2)nnc1N(CC)C(C)C
192037693	ZINC000273076575	ref	5.15	-41.64	1	259.353	1.503	2	3	7	Cn1ccc(C[NH2+]C[C@H](O)CCc2ccccc2)n1
192037695	ZINC000273076575	mid	3.77	-9.19	0	259.353	1.503	2	4	7	Cn1ccc(CNC[C@H](O)CCc2ccccc2)n1
349535138	ZINC000093261413	ref	4.58	-11.76	0	296.371	0.953	1	5	6	CCOCCN(C)C(=O)C(=O)Nc1c(C)nn(CC)c1C
192037698	ZINC000273076587	ref	3.83	-12.87	0	271.342	1.582	1	6	6	COCc1nsc(NC(=O)COC2CCCC2)n1
192037700	ZINC000273076637	ref	4.68	-12.65	0	289.291	0.773	2	4	6	C#CCCNC(=O)CNC(=O)c1ccc([N+](=O)[O-])c(C)c1
214187220	ZINC000337624990	ref	-1.37	-43.9	-1	291.311	0.585	2	5	6	COc1cc(C(=O)NCCCc2n[nH]c(=O)[n-]2)cc(C)n1
178303389	ZINC000237235168	ref	9.26	-52.38	1	357.498	1.926	1	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)C1
192037702	ZINC000273076595	ref	8.0	-9.52	0	275.396	2.745	1	2	2	C[C@@H]1CN(C(=O)NCc2ccn(C)c2)[C@@H]2CCCC[C@@H]12
178303393	ZINC000237225907	ref	8.9	-50.65	-1	354.406	1.961	1	4	8	CN(CCC(=O)[O-])C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1
136229311	ZINC000293017856	ref	8.21	-40.21	1	248.37	1.948	1	2	6	CC#CCN(C)CC(=O)NCCC1=CCCCC1
349535144	ZINC000093288635	ref	4.22	-14.87	0	287.323	0.618	2	5	4	Cn1cnc(CNC(=O)NC[C@H]2Cc3ccccc3O2)n1
192037965	ZINC000273084444	ref	9.17	-56.31	1	290.363	2.685	1	3	6	C[C@@]1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCO[C@@H]1C1CC1
192037968	ZINC000273086126	ref	1.3	-10.29	0	292.368	1.28	2	6	3	CC(C)N1CCc2nc(NC(=O)c3cn[nH]n3)sc2C1
192037970	ZINC000273086126	mid	3.7	-41.96	1	292.368	1.28	3	5	3	CC(C)[N@@H+]1CCc2nc(NC(=O)c3cn[nH]n3)sc2C1
136229312	ZINC000293017856	low	8.21	-40.25	1	248.37	1.948	2	1	6	CC#CC[N@H+](C)CC(=O)NCCC1=CCCCC1
349535149	ZINC000093282417	ref	4.59	-32.57	1	256.346	0.644	2	3	4	CNC(=O)C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1
214187221	ZINC000278488775	ref	5.42	-12.28	0	313.394	2.173	0	3	2	Cc1cc(F)cc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c1
365637948	ZINC000189264648	ref	3.29	-20.45	0	292.36	1.381	1	3	2	COc1ccc2[nH]c(C(=O)N3CCS(=O)CC3)cc2c1
178303396	ZINC000237226948	ref	4.98	-45.87	1	354.248	1.389	2	2	5	C[NH2+]C[C@H]1CCCN1C(=O)CNC(=O)c1cccc(Br)c1
178303402	ZINC000237235126	ref	3.93	-50.11	1	359.43	1.164	1	6	7	COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@H]3C[NH3+])n2)cc1
282122992	ZINC000343409797	mid	3.94	-65.31	1	299.325	0.262	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[NH2+]CC1(F)F)CC2
282122994	ZINC000360186703	ref	1.83	-17.7	0	267.358	-0.32	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CSCN1)CC2
178303407	ZINC000237228715	ref	6.92	-54.41	1	355.438	1.891	3	3	9	C[NH2+]CC(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1
178303411	ZINC000237228715	high	5.48	-20.05	0	355.438	1.891	3	4	9	CNCC(=O)NCCc1ccc(OCC(=O)Nc2cccc(C)c2)cc1
178303414	ZINC000237233680	ref	7.33	-42.02	1	373.497	1.688	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1
178303420	ZINC000237231741	ref	8.02	-106.29	2	370.419	1.825	3	2	4	C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H]2CCC[NH2+]2)CC1
282122997	ZINC000360186703	mid	3.05	-51.66	1	267.358	-0.32	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CSC[NH2+]1)CC2
282122998	ZINC000358698791	ref	4.37	-47.9	1	277.372	0.406	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CC[NH2+][C@H](C)C1)CC2
282123000	ZINC000180948842	ref	4.81	-58.16	1	277.372	0.55	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@]1(C)CCCC[NH2+]1)CC2
282123002	ZINC000180948842	high	3.6	-14.13	0	277.372	0.55	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@]1(C)CCCCN1)CC2
178303424	ZINC000237231741	mid	5.64	-40.68	1	370.419	1.825	2	3	4	CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@@H]2CCC[NH2+]2)CC1
178303428	ZINC000237243073	ref	7.81	-53.08	1	351.397	1.776	1	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)C1
282123004	ZINC000158016921	ref	5.69	-48.93	1	303.41	0.938	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1C[C@@H]3CCCC[C@@H]3[NH2+]1)CC2
178303431	ZINC000237233647	ref	7.3	-43.43	1	373.497	1.831	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)cc1
398245588	ZINC000336778719	ref	3.42	-6.67	0	221.235	2.059	1	4	4	C[C@H](NCc1ccon1)c1ccncc1F
349535139	ZINC000258910232	mid	9.57	-37.73	0	233.311	2.292	1	2	5	Cc1ccccc1C[N@H+](C)CC1(C(=O)[O-])CC1
192037709	ZINC000418463037	ref	0.53	-37.57	1	243.351	0.669	3	2	5	CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H](O)C[C@H]1C
365637950	ZINC000336555013	low	7.53	-97.63	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1
192037710	ZINC000418464154	ref	5.34	-44.97	1	239.363	1.736	2	1	6	C=C[C@H]1CCCCN1C(=O)NCC[NH2+]CCC
342596571	ZINC000616979226	ref	6.9	-17.03	0	254.374	1.892	0	2	5	CCC(=O)N1CC[C@@H](C(=O)N(CC)[C@@H](C)CC)C1
365637954	ZINC000336555013	low	7.98	-97.08	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)n1
192037711	ZINC000418431317	ref	4.47	-47.22	1	241.379	2.086	2	1	6	CCC([NH3+])(CC)CNC(=O)N(C(C)C)C1CC1
365637957	ZINC000336555013	low	7.98	-97.08	2	265.426	2.368	2	2	2	Cc1csc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1
365637962	ZINC000336555013	low	7.81	-99.02	2	265.426	2.368	2	2	2	Cc1csc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)n1
230732006	ZINC000414311315	ref	6.82	-45.1	1	315.388	3.283	2	2	6	C[C@H]([NH2+]C[C@H](CO)c1ccc(F)cc1)c1ccc2c(c1)COC2
192037712	ZINC000418464160	ref	1.93	-52.2	1	241.335	0.544	2	2	3	C[C@@H](C[NH3+])CNC(=O)N1CCO[C@H]2CCC[C@H]21
192037713	ZINC000418465489	ref	-0.05	-37.29	1	217.313	0.138	3	2	7	CCCC[C@H](C[NH3+])NC(=O)N(C)CCO
342596572	ZINC000590794514	ref	4.68	-13.85	0	269.37	1.292	0	4	3	Cc1nc(S(=O)(=O)N2CCC[C@@H]2C2CC2)cn1C
197594203	ZINC000290096535	ref	4.9	-11.7	0	266.341	1.075	0	4	4	CCc1c(C(=O)N2CCO[C@@H](COC)C2)ccn1C
192037714	ZINC000418429705	ref	1.89	-36.75	1	213.325	1.233	3	1	6	C=C[C@@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C
342596573	ZINC000616973188	ref	3.8	-19.06	0	278.377	1.4	2	3	4	Cc1ccc(C)c(SCC(=O)N[C@H]2CCNC2=O)c1
342596574	ZINC000616979330	ref	1.85	-10.84	0	277.324	1.673	1	4	4	CC[C@H](C)N(CC)C(=O)c1cnc2c(c1)NC(=O)CO2
342596575	ZINC000308375755	ref	4.61	-5.36	0	260.341	1.652	1	5	2	CCc1nc(C#N)cc(N2CCC[C@](C)(O)CC2)n1
342596576	ZINC000616973278	ref	5.19	-18.47	0	286.375	1.65	2	2	4	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCC[C@H]1Cc1ccccc1
214187222	ZINC000337624990	low	-0.22	-15.89	0	291.311	0.585	3	5	6	COc1cc(C(=O)NCCCc2n[nH]c(=O)[nH]2)cc(C)n1
192037715	ZINC000418432043	ref	4.89	-48.42	1	241.379	1.945	2	1	7	CCC([NH3+])(CC)CNC(=O)N(C)CCC1CC1
192037716	ZINC000418430109	ref	3.96	-39.69	1	243.326	1.629	2	1	4	CC(C)C[C@H](C[NH3+])NC(=O)N1CCC=C(F)C1
342596577	ZINC000590794402	ref	5.77	-9.04	0	272.414	1.836	0	2	5	C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC[C@@H]1C1CC1
342596578	ZINC000590794399	ref	5.47	-7.78	0	272.414	1.836	0	2	5	C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCC[C@H]1C1CC1
342596579	ZINC000590795036	ref	5.36	-12.62	0	286.401	1.107	0	4	5	CCN(CC)S(=O)(=O)N1CCC[C@H](n2ccnc2)C1
282122993	ZINC000371650474	ref	5.27	-40.33	1	286.319	1.028	1	3	4	C[NH+](C)C[C@@H]1CN(C(=O)CSC(F)(F)F)CCO1
398245589	ZINC000650438294	ref	6.51	-10.42	0	249.345	3.61	1	1	6	C[C@H](CC(=O)NCCC(C)(F)F)CC(C)(C)C
178303401	ZINC000073665632	ref	3.06	-16.55	0	220.257	1.249	1	5	0	Cc1cc2nc3sc(C)nn3c(=O)c2[nH]1
178303406	ZINC000070253128	ref	4.72	-10.26	0	218.26	1.048	0	4	1	Cc1cc2ncc(C(=O)N(C)C)c(C)n2n1
365637958	ZINC000623070748	ref	3.66	-54.85	1	300.366	1.606	2	4	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)nn1
282122996	ZINC000371650474	high	2.71	-8.65	0	286.319	1.028	0	4	4	CN(C)C[C@@H]1CN(C(=O)CSC(F)(F)F)CCO1
365637961	ZINC000623070748	high	3.26	-16.47	0	300.366	1.606	2	5	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)nn1
282122999	ZINC000155251980	ref	9.8	-41.15	1	329.444	1.9	1	3	5	Cn1cc(CCC(=O)N2CCO[C@H](C[NH+](C)C)C2)c2ccccc21
282123005	ZINC000155251980	high	7.21	-10.84	0	329.444	1.9	0	4	5	CN(C)C[C@@H]1CN(C(=O)CCc2cn(C)c3ccccc23)CCO1
365637969	ZINC000623070457	ref	4.84	-11.89	0	312.382	1.304	0	3	6	CCCN(CC(F)F)C(=O)[C@H]1CCCCN1S(C)(=O)=O
365637977	ZINC000623069623	ref	1.82	-54.82	1	310.423	1.339	3	4	2	[NH3+]C1(CO)CCN(C(=O)Nc2nc3c(s2)CCCC3)CC1
365637986	ZINC000623070927	ref	0.84	-53.3	1	314.155	1.618	2	3	5	[NH3+]CC[C@@H](NC(=O)c1ncc(Br)s1)C(F)F
365637994	ZINC000623070710	ref	-0.22	-63.18	1	321.349	1.194	3	3	6	CS(=O)(=O)c1ccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cc1
365638006	ZINC000623070496	ref	0.45	-54.51	1	304.35	1.209	4	3	6	C[C@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)NC2=O
365638016	ZINC000623070496	high	-1.36	-79.97	0	304.35	1.209	3	3	6	C[C@H](CCCC[NH3+])NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365638022	ZINC000623070097	ref	4.9	-65.19	1	317.368	1.343	3	2	4	O=C(N=c1ccn([C@@H]2CC[NH2+]C2)[nH]1)NCCc1ccc(F)cc1
365638032	ZINC000623070428	ref	6.09	-48.1	1	308.401	1.913	3	2	3	C[NH+](C)Cc1cccc(NC(=O)N2CCNC[C@@](C)(F)C2)c1
365638036	ZINC000623070428	mid	7.6	-101.23	2	308.401	1.913	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[NH2+]C[C@@](C)(F)C2)c1
365638044	ZINC000623070428	high	3.61	-12.96	0	308.401	1.913	2	3	3	CN(C)Cc1cccc(NC(=O)N2CCNC[C@@](C)(F)C2)c1
365638054	ZINC000623070822	ref	5.87	-88.77	2	318.421	1.343	3	2	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)c1
365638064	ZINC000623070822	mid	4.57	-45.42	1	318.421	1.343	3	3	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)c1
398245591	ZINC000650438303	ref	3.31	-9.84	0	229.23	1.56	1	3	4	Cc1nccc(C(=O)NCCC(C)(F)F)n1
214187224	ZINC000278487848	ref	7.09	-12.01	0	306.381	3.171	0	3	3	O=C(C1CCCCC1)N1CCC(Oc2ncccc2F)CC1
214187226	ZINC000278488178	ref	2.01	-8.5	0	322.361	1.183	2	5	4	COc1cc(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2C)cc(OC)c1
342080080	ZINC000625315525	ref	9.5	-18.08	0	274.368	1.804	0	4	3	CCn1cnnc1C1CCN(C(=O)C23CC(C2)C3)CC1
214187229	ZINC000278487481	ref	9.47	-13.34	0	322.416	2.78	1	6	5	Cc1ccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)cc1
214187231	ZINC000278488938	ref	3.58	-21.67	0	305.378	1.162	2	4	6	CC1(C)CC[C@H](C(=O)NCCC(=O)NCc2cccnc2)O1
214187233	ZINC000278487398	ref	7.94	-10.89	0	319.355	3.495	1	3	4	Cc1cc(N(C)C)ccc1NC(=O)C(F)(F)c1ncccc1C
214187237	ZINC000278487579	ref	1.87	-18.68	0	311.794	2.221	2	4	6	NC(=O)CCCC(=O)NCc1nc2cc(Cl)ccc2s1
214187239	ZINC000278489083	ref	8.91	-12.73	0	302.403	2.718	1	5	3	Cc1ccnc(-n2nc(C)cc2NC(=O)[C@H]2CCCS2)c1
214187241	ZINC000278487929	ref	6.73	-12.42	0	318.352	1.87	1	5	3	Cc1nc(C(=O)N[C@H]2CCOC[C@H]2C)nn1-c1ccc(F)cc1
214187243	ZINC000278488032	ref	6.06	-9.82	0	310.394	2.171	1	4	6	COCCN(Cc1ccc(C)o1)C(=O)N[C@H]1CCOC[C@@H]1C
282122995	ZINC000301463607	ref	2.77	-22.31	0	308.407	2.04	1	6	6	CCC(CC)(CNc1ccc2nccnc2n1)S(C)(=O)=O
282123001	ZINC000301461630	ref	5.64	-14.22	0	306.431	3.25	1	4	6	CCC(CC)(CNc1ccc2ccccc2n1)S(C)(=O)=O
214187250	ZINC000278487582	ref	8.29	-53.31	1	321.373	1.771	1	5	7	COC(=O)[C@H](C)C[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2
214187253	ZINC000278487582	mid	8.3	-54.0	1	321.373	1.771	1	5	7	COC(=O)[C@H](C)C[N@@H+](C)CCC(=O)c1ccc2c(c1)OCCO2
214187255	ZINC000278487582	high	6.25	-14.49	0	321.373	1.771	0	6	7	COC(=O)[C@H](C)CN(C)CCC(=O)c1ccc2c(c1)OCCO2
214187257	ZINC000278488253	ref	2.22	-15.45	0	310.35	1.678	3	5	6	CC(C)(O)CONC(=O)Nc1ccccc1O[C@@H]1CCOC1
214187259	ZINC000278488253	high	0.48	-53.54	-1	310.35	1.678	2	6	6	CC(C)(O)CON=C([O-])Nc1ccccc1O[C@@H]1CCOC1
342080081	ZINC000625316305	ref	-0.12	-8.54	0	295.289	1.587	2	5	6	COc1cncc(CN[C@H](CO)c2c(F)cccc2F)n1
214187260	ZINC000278488253	high	1.18	-52.9	-1	310.35	1.678	2	5	6	CC(C)(O)CO[N-]C(=O)Nc1ccccc1O[C@@H]1CCOC1
214187263	ZINC000278488237	ref	3.91	-9.96	0	319.346	1.364	0	9	5	COC[C@@H](OC(=O)c1cnc2c(c1)nnn2C)c1nccs1
133428503	ZINC000306483591	ref	2.84	-5.8	0	182.267	1.398	0	3	1	C[C@@H]1CN(C(C)(C)C#N)C[C@@H](C)O1
192037717	ZINC000273079815	ref	4.97	-12.85	0	294.786	2.083	2	5	6	CCn1c(C)nnc1CN[C@@H](CO)c1ccc(Cl)cc1
136229313	ZINC000293017856	low	8.21	-40.21	1	248.37	1.948	2	1	6	CC#CC[N@@H+](C)CC(=O)NCCC1=CCCCC1
282123003	ZINC000301438924	ref	3.8	-17.62	0	281.381	1.969	1	5	6	CCC(CC)(CNc1cccc(C#N)n1)S(C)(=O)=O
342596580	ZINC000590795036	low	6.07	-42.21	1	286.401	1.107	0	3	5	CCN(CC)S(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342596581	ZINC000590795528	ref	3.27	-13.77	0	255.339	1.403	0	3	2	COc1ccc2c(c1)CCCN(S(C)(=O)=O)C2
197594209	ZINC000162824082	ref	5.13	-16.04	0	308.407	1.455	1	7	3	CCCc1cc(=O)n2nc(N3CCC[C@](C)(O)C3)sc2n1
293078533	ZINC000360455915	ref	6.82	-8.25	0	253.386	2.696	0	2	4	COC[C@H](C)[C@H](C)C(=O)N1CC2(CCC2)C[C@@H]1C
342596582	ZINC000616979053	ref	4.97	-21.12	0	261.387	1.601	0	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCCCS1(=O)=O
199273104	ZINC000181259620	ref	7.54	-20.77	0	316.426	2.003	1	3	4	O=C(NC[C@H]1CC(=O)N(C2CC2)C1)[C@@H]1CSc2ccccc21
192037719	ZINC000273079815	low	6.12	-51.81	1	294.786	2.083	2	4	6	CCn1c(C)nnc1C[NH2+][C@@H](CO)c1ccc(Cl)cc1
192037721	ZINC000273080300	ref	6.37	-38.19	1	275.348	2.463	1	3	4	C[C@@]1([NH2+]Cc2cccc3c2OCO3)CCO[C@@H]1C1CC1
192037724	ZINC000273080300	high	5.49	-6.06	0	275.348	2.463	1	4	4	C[C@@]1(NCc2cccc3c2OCO3)CCO[C@@H]1C1CC1
299072263	ZINC000567662389	ref	9.26	-43.43	1	251.37	2.354	1	2	7	COC(=O)CC1CC([NH2+]CC(C2CC2)C2CC2)C1
192037728	ZINC000273080221	ref	4.24	-17.67	0	273.336	1.14	1	3	3	CNC(=O)[C@H]1CCCN1C(=O)/C=C/c1cnccc1C
365637963	ZINC000354710080	mid	6.85	-37.41	1	276.38	1.802	2	2	6	C[C@@H]1CC[C@H](C[N@H+](C)CC(=O)NCc2ccccc2)O1
192037730	ZINC000273080088	ref	6.7	-12.55	0	295.452	2.554	2	3	8	CSCCCCCCNC(=O)[C@@H]1CCc2n[nH]cc2C1
365637972	ZINC000354710080	mid	6.82	-36.69	1	276.38	1.802	2	2	6	C[C@@H]1CC[C@H](C[N@@H+](C)CC(=O)NCc2ccccc2)O1
192037732	ZINC000273080219	ref	2.36	-20.55	0	292.339	1.319	2	4	5	CC[C@@H](C)Oc1cc(C(=O)NN2CCCNC2=O)ccn1
199273106	ZINC000181261397	ref	1.34	-9.4	0	302.421	1.654	1	5	5	CCOc1ccc(S(=O)(=O)NC2CCSCC2)cn1
214190462	ZINC000293662613	ref	4.39	-50.91	1	368.499	0.936	2	4	7	CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1
349535140	ZINC000594969587	mid	5.5	-33.02	1	299.509	2.969	2	4	6	CSCc1cnc(CNC[C@H]2CC[N@H+]2C(C)(C)C)s1
192037734	ZINC000273080219	high	1.32	-49.87	-1	292.339	1.319	1	4	5	CC[C@@H](C)Oc1cc(C(=O)[N-]N2CCCNC2=O)ccn1
365637967	ZINC000336554325	ref	3.98	-12.67	0	280.368	2.04	0	3	2	CC1(C)C[S@](=O)CCN1Cc1ccc(F)cc1C#N
365637973	ZINC000336554502	ref	7.59	-18.45	0	270.285	2.111	0	4	3	CSc1ccc([N+](=O)[O-])c(C(=O)N2CC(F)C2)c1
365637983	ZINC000336554359	ref	3.85	-8.4	0	292.335	2.187	1	3	3	O=S(=O)(N[C@H]1CCc2ccccc21)c1cncc(F)c1
365637988	ZINC000336554359	high	3.62	-40.06	-1	292.335	2.187	0	3	3	O=S(=O)([N-][C@H]1CCc2ccccc21)c1cncc(F)c1
398245590	ZINC000336778719	low	4.56	-44.92	1	221.235	2.059	1	3	4	C[C@H]([NH2+]Cc1ccon1)c1ccncc1F
342080082	ZINC000625315365	ref	6.02	-12.12	0	285.351	1.767	0	5	2	Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccnn3)C2)n1
342080083	ZINC000625315648	ref	3.48	-44.67	1	297.37	1.89	2	3	7	CO[C@@H](C[NH2+][C@H](CO)C1CCOCC1)c1ccc(F)cc1
192037718	ZINC000418465479	ref	5.41	-36.31	1	243.395	2.19	2	1	7	CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H](C)C(C)C
192037720	ZINC000418463552	ref	4.52	-56.21	1	239.363	1.696	2	1	2	C[C@H]1CC[C@@H](C)N1C(=O)N[C@H]1CCC[C@H]1C[NH3+]
192037722	ZINC000418430432	ref	3.7	-40.34	1	245.342	1.503	2	1	4	CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@](C)(F)C1
342080084	ZINC000625315221	ref	4.07	-13.04	0	273.34	1.858	0	6	3	Cc1cn2c(n1)CN(Cc1noc(C3CCC3)n1)CC2
365637993	ZINC000336554576	ref	3.25	-16.74	0	267.329	2.182	1	4	3	COC[C@H]1CCCN(C(=O)Nc2nc(C)c(C)o2)C1
192037723	ZINC000418429263	ref	2.55	-53.07	1	225.336	1.379	3	1	4	C=C(C)CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+]
192037725	ZINC000418430731	ref	2.81	-46.46	1	243.395	2.382	3	1	7	CCC([NH3+])(CC)CNC(=O)NC(C)(CC)CC
192037727	ZINC000418465801	ref	-0.18	-47.51	1	231.34	0.448	4	2	10	CCC[NH2+]CCNC(=O)NCCCCCO
365638001	ZINC000336554395	ref	7.73	-12.43	0	293.436	2.194	0	4	3	CSC[C@H]1CCCN1C(=O)[C@H]1CCCc2nn(C)cc21
342080085	ZINC000625315221	low	4.48	-27.58	1	273.34	1.858	0	5	3	Cc1cn2c([nH+]1)CN(Cc1noc(C3CCC3)n1)CC2
342080086	ZINC000625316778	ref	-0.38	-7.8	0	281.356	1.214	2	6	6	OC[C@H](NCc1noc(C2CCC2)n1)C1CCOCC1
342080087	ZINC000625316778	low	0.93	-38.05	1	281.356	1.214	2	5	6	OC[C@H]([NH2+]Cc1noc(C2CCC2)n1)C1CCOCC1
342080088	ZINC000625315434	ref	4.58	-40.01	1	269.385	1.729	1	3	6	C[C@]1([NH2+]CCOC2CCOCC2)CCO[C@@H]1C1CC1
192037729	ZINC000418462432	ref	3.21	-48.89	1	243.395	2.095	3	1	5	C[C@@H](C[NH3+])CNC(=O)NC(C)(C)CC(C)(C)C
192037731	ZINC000418429373	ref	0.91	-38.53	1	223.267	0.924	3	1	6	CC(C)C[C@@H](C[NH3+])NC(=O)NCC(F)F
192037733	ZINC000418429708	ref	1.88	-36.3	1	213.325	1.233	3	1	6	C=C[C@@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C
398245593	ZINC000417630265	ref	2.12	-49.29	1	213.325	1.213	3	1	7	C[C@H](CC1CC1)NC(=O)NCCCC[NH3+]
214187225	ZINC000293612886	ref	5.01	-16.05	0	366.439	0.651	0	5	3	CN(C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)[C@@H]1CCN(S(C)(=O)=O)C1
178303409	ZINC000000153841	ref	6.55	-8.06	0	212.296	3.125	0	2	0	Cc1cc2nc3c(nc2cc1C)CCCC3
178303412	ZINC000051848065	ref	0.44	-49.78	1	219.288	1.562	3	2	3	Cc1cc2nc([C@H]([NH3+])CCO)[nH]c2cc1C
365637968	ZINC000189262683	ref	1.44	-12.69	0	274.324	1.362	3	4	6	C[C@@H](CCCO)NC(=O)c1[nH]nnc1-c1ccccc1
178303416	ZINC000051848065	mid	0.12	-10.41	0	219.288	1.562	3	3	3	Cc1cc2nc([C@H](N)CCO)[nH]c2cc1C
178303419	ZINC000096530274	ref	4.62	-12.06	0	203.245	1.369	1	3	0	Cc1cc2nc3n(c(=O)c2[nH]1)CCCC3
178303422	ZINC000020188632	ref	3.06	-54.22	1	248.33	1.379	2	4	5	Cc1cc2ncc([C@H](C)[NH2+]CCCO)c(C)n2n1
178303426	ZINC000020188632	high	1.89	-10.18	0	248.33	1.379	2	5	5	Cc1cc2ncc([C@H](C)NCCCO)c(C)n2n1
365637982	ZINC000189262683	mid	1.38	-10.01	0	274.324	1.362	3	4	6	C[C@@H](CCCO)NC(=O)c1n[nH]nc1-c1ccccc1
136229314	ZINC000292999756	ref	6.84	-44.38	1	235.287	1.267	2	3	5	CC#CC[N@H+](C)CCC(=O)Nc1cc(C)on1
214187227	ZINC000293607014	ref	5.13	-44.23	1	360.458	0.17	3	3	8	C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(N)=O
178303429	ZINC000104280056	ref	3.83	-11.81	0	244.22	1.69	1	4	3	Cc1cc2ncc(CNCC(F)(F)F)cn2n1
192037735	ZINC000418464105	ref	3.52	-49.49	1	227.352	1.411	2	1	3	C[C@H](C[NH3+])CNC(=O)N1C[C@H](C)CC[C@H]1C
192037736	ZINC000418430433	ref	3.7	-36.45	1	245.342	1.503	2	1	4	CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@](C)(F)C1
192037738	ZINC000418430704	ref	1.49	-96.88	2	230.356	0.365	4	1	7	CCC([NH3+])(CC)CNC(=O)NCC[NH+](C)C
192037741	ZINC000418430704	high	-1.01	-48.89	1	230.356	0.365	3	2	7	CCC([NH3+])(CC)CNC(=O)NCCN(C)C
398245592	ZINC000390764380	ref	3.63	-54.74	1	226.32	0.623	1	2	4	CN1C[C@@H]([NH2+]CCC2CCOCC2)CC1=O
178303439	ZINC000001273199	ref	9.51	-13.18	0	232.286	3.949	0	2	0	Cc1cc2nc3ccccc3n2c2ccccc12
178303445	ZINC000001273199	low	9.97	-23.47	1	232.286	3.949	0	1	0	Cc1cc2[nH+]c3ccccc3n2c2ccccc12
398245594	ZINC000390759443	ref	1.41	-47.3	1	213.325	0.054	2	2	5	CCNC(=O)CN(C)C[C@@]1(C)CC[NH2+]C1
398245595	ZINC000390759443	low	3.02	-103.26	2	213.325	0.054	3	1	5	CCNC(=O)C[N@H+](C)C[C@@]1(C)CC[NH2+]C1
398245596	ZINC000390759443	low	3.06	-107.19	2	213.325	0.054	3	1	5	CCNC(=O)C[N@@H+](C)C[C@@]1(C)CC[NH2+]C1
192037742	ZINC000418463028	ref	1.76	-58.26	1	243.351	0.528	3	2	6	CCCN(CCO)C(=O)N[C@H]1CCC[C@H]1C[NH3+]
398245597	ZINC000390766401	ref	-4.14	-37.59	-1	235.234	1.248	1	4	5	CC[C@@H](C)[C@@H](O)CN=c1[n-]nc(C(F)F)o1
365637978	ZINC000354710264	ref	7.52	-13.62	0	299.378	1.21	1	5	3	CC1(C)C[C@H]1C(=O)N1CC[C@@H](Nc2ccc3nccn3n2)C1
365637984	ZINC000354710493	ref	4.88	-45.83	1	295.427	1.282	2	2	6	CC(C)C[C@@H]1CCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365637992	ZINC000354711424	ref	4.18	-45.11	1	295.427	1.33	3	2	6	C[C@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1
365637997	ZINC000354710126	ref	4.26	-21.79	0	261.387	1.314	0	3	3	CCS(=O)(=O)CC(=O)N1C[C@H](C)C[C@@H](C)[C@@H]1C
365638008	ZINC000354711219	ref	3.63	-8.65	0	254.374	1.117	1	3	6	C[C@H]1C[C@@H]1CC(=O)NC[C@@H](C)CN1CCOCC1
342080089	ZINC000625316345	ref	6.74	-41.33	1	282.428	1.897	2	2	4	CC(C)(C)CNC(=O)C[NH+]1CCC([C@H]2CCOC2)CC1
230732037	ZINC000414311589	ref	5.51	-10.83	0	318.446	3.168	2	5	7	CCc1ccccc1NC(=O)C[C@H](C)N[C@H](C)c1csnn1
342080090	ZINC000625316345	mid	4.58	-8.01	0	282.428	1.897	1	3	4	CC(C)(C)CNC(=O)CN1CCC([C@H]2CCOC2)CC1
230732040	ZINC000414311589	mid	6.81	-42.82	1	318.446	3.168	2	4	7	CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C)c1csnn1
365638015	ZINC000354711219	mid	5.84	-43.09	1	254.374	1.117	2	2	6	C[C@H]1C[C@@H]1CC(=O)NC[C@@H](C)C[NH+]1CCOCC1
365638021	ZINC000354710072	ref	4.36	-17.45	0	295.404	1.729	1	3	6	C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CC[S@](=O)C1
365638026	ZINC000354710076	ref	4.57	-9.67	0	276.38	1.802	1	3	6	C[C@H]1CC[C@H](CN(C)CC(=O)NCc2ccccc2)O1
365638037	ZINC000354710076	mid	6.89	-37.61	1	276.38	1.802	2	2	6	C[C@H]1CC[C@H](C[N@H+](C)CC(=O)NCc2ccccc2)O1
365638045	ZINC000354710076	mid	6.88	-36.63	1	276.38	1.802	2	2	6	C[C@H]1CC[C@H](C[N@@H+](C)CC(=O)NCc2ccccc2)O1
365638055	ZINC000354711504	ref	6.82	-15.36	0	267.398	1.841	1	4	6	Cc1nccn1CCCCNC(=O)[C@H]1CCSC1
365638063	ZINC000354711504	mid	7.3	-37.33	1	267.398	1.841	1	3	6	Cc1[nH+]ccn1CCCCNC(=O)[C@H]1CCSC1
214187232	ZINC000293607014	high	2.67	-16.38	0	360.458	0.17	2	4	8	C[C@H](c1ccccc1)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(N)=O
259308389	ZINC000356840037	ref	2.33	-8.21	0	248.326	1.54	3	3	7	C=C[C@@H](CO)NC(=O)[C@@H](CC)Nc1ccccc1
342080091	ZINC000625315651	ref	3.6	-45.23	1	297.37	1.89	2	3	7	CO[C@H](C[NH2+][C@@H](CO)C1CCOCC1)c1ccc(F)cc1
342080092	ZINC000625316215	ref	9.58	-12.21	0	294.358	1.815	1	4	4	O=C(NCc1nncn1C1CC1)[C@@H]1[C@H]2Cc3ccccc3[C@H]21
342088405	ZINC000121507299	mid	1.81	-44.38	1	295.223	1.545	3	2	3	O[C@@H](C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C(F)(F)F
342088406	ZINC000121508377	ref	6.21	-36.58	1	290.411	1.57	1	3	2	CC(C)c1nc2c(n1C)CCN(C(=O)[C@@]1(C)CCC[NH2+]1)C2
342080093	ZINC000625317113	ref	1.35	-43.56	1	283.343	1.115	4	3	7	OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cccc(F)c1
192037737	ZINC000273080092	ref	6.7	-12.54	0	295.452	2.554	2	3	8	CSCCCCCCNC(=O)[C@H]1CCc2n[nH]cc2C1
365637991	ZINC000172923819	ref	6.98	-44.16	1	252.333	1.997	2	1	6	C[C@H](C(=O)NCCC[NH+](C)C)c1cccc(F)c1
342080094	ZINC000625317113	high	0.26	-6.67	0	283.343	1.115	4	4	7	OC[C@@H](NC[C@H](O)CC1(O)CCC1)c1cccc(F)c1
349535142	ZINC000594969587	mid	4.66	-4.12	0	299.509	2.969	1	5	6	CSCc1cnc(CNC[C@H]2CCN2C(C)(C)C)s1
342080095	ZINC000032314325	ref	3.81	-12.98	0	271.342	1.165	1	5	5	CON(C)C(=O)CCc1c(C)nc(SC)[nH]c1=O
192037743	ZINC000273079937	ref	7.24	-35.12	1	276.38	2.618	1	3	3	C[C@H](c1cccnc1)[N@@H+]1CCC[C@H](C2(C)OCCO2)C1
365638005	ZINC000172918794	ref	6.73	-11.46	0	278.327	1.62	0	2	2	CC(=O)N1CCN(C(=O)[C@@H](C)c2cccc(F)c2)CC1
365638019	ZINC000189261174	ref	5.8	-37.58	1	278.396	1.712	1	2	2	CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@]3(CC=CCC3)C2)C1
282123006	ZINC000346895800	ref	7.59	-38.4	1	316.854	2.123	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1
192037744	ZINC000273079937	mid	6.75	-33.74	1	276.38	2.618	1	3	3	C[C@H](c1cccnc1)[N@H+]1CCC[C@H](C2(C)OCCO2)C1
192037746	ZINC000273079937	high	5.27	-5.09	0	276.38	2.618	0	4	3	C[C@H](c1cccnc1)N1CCC[C@H](C2(C)OCCO2)C1
282123010	ZINC000346895800	high	5.04	-7.66	0	316.854	2.123	0	4	5	CN(C)C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1
282123013	ZINC000180862555	ref	8.03	-41.05	1	315.417	1.889	2	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CCO1
192037752	ZINC000273080204	ref	7.59	-12.03	0	258.325	1.796	1	4	4	C[C@H](NC(=O)[C@@H](C)c1ccccc1)c1nncn1C
197594227	ZINC000162822126	ref	9.73	-9.66	0	302.349	3.47	0	4	5	CC[C@@H](C(=O)OCc1cc(C)nc(C)n1)c1ccc(F)cc1
192037754	ZINC000273079787	ref	0.53	-9.18	0	268.263	2.084	2	4	5	Cc1cnc(CN[C@@H](CO)c2c(F)cccc2F)o1
342080096	ZINC000032314325	mid	2.68	-47.67	-1	271.342	1.165	0	5	5	CON(C)C(=O)CCc1c(C)nc(SC)[n-]c1=O
342080097	ZINC000625317110	ref	1.36	-43.59	1	283.343	1.115	4	3	7	OC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1cccc(F)c1
342080098	ZINC000625317110	high	0.15	-6.39	0	283.343	1.115	4	4	7	OC[C@H](NC[C@H](O)CC1(O)CCC1)c1cccc(F)c1
342080099	ZINC000625310437	ref	10.07	-13.99	0	282.347	1.732	0	4	2	Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCn3cnnc3C2)c1
342080100	ZINC000625310654	ref	2.55	-36.84	1	295.379	1.514	2	4	8	COc1ccccc1[C@@H](CO)[NH2+]CCOC1CCOCC1
214187235	ZINC000293608995	ref	3.37	-23.86	0	354.366	0.809	1	7	4	Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1
214187238	ZINC000293613773	ref	3.57	-10.95	0	359.171	0.997	1	5	3	Cc1nn(C)cc1CNC(=O)c1cnn(C)c1I
214187244	ZINC000293611088	ref	4.23	-17.22	0	363.443	0.682	0	6	4	Cc1cccc(-n2cc(C(=O)N(C)[C@H]3CCN(S(C)(=O)=O)C3)nn2)c1
214187248	ZINC000293605769	ref	4.83	-14.59	0	370.453	0.993	1	6	8	O=C(CCc1cncnc1)N1CCN(C[C@@H](O)COc2ccccc2)CC1
365637998	ZINC000641605927	ref	-1.2	-37.72	-1	267.358	1.951	0	6	4	CCC(C)(C)c1n[n-]c(=NCc2snnc2C)o1
342080101	ZINC000625310654	mid	1.45	-7.65	0	295.379	1.514	2	5	8	COc1ccccc1[C@@H](CO)NCCOC1CCOCC1
342080102	ZINC000625309683	ref	6.14	-14.51	0	278.356	1.169	0	5	3	COC1CC(C(=O)N2CCn3c(nnc3C(C)C)C2)C1
342080103	ZINC000625309742	ref	8.2	-13.05	0	284.327	1.275	3	6	5	Cc1cc(Nc2nnc(-c3cn[nH]c3)n2CC2CC2)n[nH]1
214187251	ZINC000293605769	low	7.09	-55.36	1	370.453	0.993	2	5	8	O=C(CCc1cncnc1)N1CC[NH+](C[C@@H](O)COc2ccccc2)CC1
342080104	ZINC000625317178	ref	7.77	-47.93	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2
342080105	ZINC000625317178	mid	8.21	-45.46	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@@H](C(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2
342080106	ZINC000625317178	low	8.2	-87.1	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2
342080107	ZINC000625317178	low	8.64	-85.21	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2
214187261	ZINC000293615150	ref	2.01	-11.25	0	363.414	0.926	3	5	5	CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@@H]2C)cc1
342080108	ZINC000625317178	high	6.1	-10.54	0	288.395	1.061	0	4	1	Cc1cn2c(n1)C[C@@H](C(=O)N1CCN3CCC[C@@H]3C1)CC2
342080109	ZINC000050952094	ref	4.46	-48.83	1	278.4	1.547	3	2	7	Cc1n[nH]cc1CCCNC(=O)CCC1CC[NH2+]CC1
342080110	ZINC000050952094	mid	4.41	-48.18	1	278.4	1.547	3	2	7	Cc1[nH]ncc1CCCNC(=O)CCC1CC[NH2+]CC1
219048068	ZINC000097681845	ref	9.63	-11.04	0	336.435	4.449	1	2	2	Cc1ccc(-c2ccc(NC(=O)N3CCC4(CCO4)CC3)cc2)cc1
214187264	ZINC000293614180	ref	0.6	-19.19	0	364.402	0.622	4	5	6	CCNC(=O)C(C)(C)CNC(=O)C(=O)Nc1cccc(OC(=O)NC)c1
342080111	ZINC000625309693	ref	0.52	-9.95	0	294.742	2.0	0	6	3	Cc1nc([C@@H]2COCCN2Cc2ncccc2Cl)no1
192037745	ZINC000418464038	ref	-0.2	-45.04	1	231.34	0.446	4	2	8	CCC[NH2+]CCNC(=O)NC[C@](C)(O)CC
192037747	ZINC000418432356	ref	2.27	-101.62	2	242.367	0.365	4	1	5	C[NH+](C)CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+]
342596583	ZINC000616973227	ref	2.43	-22.86	0	258.277	1.36	2	3	2	Cc1cccc2c(C(=O)N[C@@H]3CCNC3=O)coc12
342596584	ZINC000590795618	ref	6.63	-12.42	0	291.376	1.909	0	4	3	O=S(=O)(c1ccccc1)N1CCC[C@@H](n2ccnc2)C1
365637999	ZINC000123472257	ref	6.28	-10.04	0	279.384	2.086	0	4	5	CCC1(CC)[C@@H](N(C)C(=O)c2cnn(C)c2)C[C@H]1OC
342596585	ZINC000590795618	low	7.34	-38.3	1	291.376	1.909	0	3	3	O=S(=O)(c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2)C1
178303434	ZINC000237233647	high	7.57	-14.37	0	373.497	1.831	1	4	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@]3(C)CCCCN3)CC2)cc1
192037749	ZINC000418432356	high	-0.21	-55.36	1	242.367	0.365	3	2	5	CN(C)CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+]
136229315	ZINC000292999756	mid	6.83	-44.39	1	235.287	1.267	2	3	5	CC#CC[N@@H+](C)CCC(=O)Nc1cc(C)on1
192037751	ZINC000418462819	ref	4.43	-47.25	1	233.381	0.99	2	2	8	CCC[NH2+]CCNC(=O)N(C)CCSC
192037753	ZINC000418430803	ref	-2.01	-37.48	1	217.313	0.04	4	2	6	CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H](C)O
192037755	ZINC000418464278	ref	3.3	-51.04	1	227.352	1.411	2	1	4	CC[C@@H]1[C@@H](C)CCN1C(=O)NC[C@@H](C)C[NH3+]
214187265	ZINC000053541527	ref	6.84	-11.9	0	331.441	3.301	2	4	5	CC(C)(C)CC(=O)NCC(=O)Nc1ncc(-c2ccccc2)s1
192037757	ZINC000418464170	ref	1.75	-51.58	1	241.335	0.544	2	2	3	C[C@H](C[NH3+])CNC(=O)N1CCO[C@H]2CCC[C@@H]21
342596586	ZINC000590794515	ref	5.1	-12.68	0	269.37	1.292	0	4	3	Cc1nc(S(=O)(=O)N2CCC[C@H]2C2CC2)cn1C
192037760	ZINC000418462805	ref	5.06	-45.63	1	239.363	1.427	2	1	5	CCC[NH2+]CCNC(=O)N1C[C@H]2CCC[C@H]2C1
192037762	ZINC000418464494	ref	-0.99	-51.46	1	245.367	0.679	4	2	9	CCC[C@@H](CCO)CNC(=O)NC[C@H](C)C[NH3+]
192037764	ZINC000418464827	ref	4.58	-45.75	1	227.352	1.283	2	1	5	CCC[NH2+]CCNC(=O)N1C[C@@H](C)[C@H](C)C1
178303435	ZINC000237232305	ref	4.64	-45.02	1	356.264	1.38	2	3	7	COCC[NH2+]CC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1
192037765	ZINC000418465170	ref	3.03	-48.64	1	245.342	1.567	3	1	6	O=C(NCCF)NCC[NH2+]C1CCCCCC1
192037768	ZINC000418465555	ref	-0.37	-36.89	1	241.335	0.35	4	2	7	C/C=C\C[C@H](CO)NC(=O)N[C@H](C[NH3+])C1CC1
192037770	ZINC000418430132	ref	1.85	-39.32	1	233.331	1.407	3	1	6	CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)CF
192037772	ZINC000418465261	ref	1.24	-45.35	1	229.324	0.151	3	2	6	CCC[NH2+]CCNC(=O)N(C)C1CC(O)C1
192037774	ZINC000418463227	ref	-0.66	-52.46	1	227.308	-0.252	3	2	4	C[C@@H](C[NH3+])CNC(=O)N1CC(O)(C2CC2)C1
178303438	ZINC000237232305	high	3.29	-9.24	0	356.264	1.38	2	4	7	COCCNCC(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1
365638000	ZINC000617441628	ref	4.68	-23.62	0	273.296	0.711	2	5	2	Cc1c[nH]cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1=O
365638010	ZINC000617441664	ref	4.33	-17.13	0	287.327	0.533	2	7	2	Cc1nc(N)nc(C)c1C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365638027	ZINC000617440523	ref	6.02	-41.93	1	265.361	0.986	2	4	4	CC(C)[C@@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)[NH+](C)C
365638041	ZINC000617440523	high	4.21	-14.26	0	265.361	0.986	1	5	4	CC(C)[C@@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)N(C)C
365638049	ZINC000617441642	ref	4.15	-17.29	0	287.327	0.57	1	7	3	C[C@@H]1C[C@H](NC(=O)c2cnc(N(C)C)cn2)c2ncnn21
342596587	ZINC000616979225	ref	7.01	-15.74	0	254.374	1.892	0	2	5	CCC(=O)N1CC[C@H](C(=O)N(CC)[C@H](C)CC)C1
365638059	ZINC000617442044	ref	4.95	-23.44	0	283.295	0.985	2	6	2	C[C@@H]1C[C@H](NC(=O)c2cnc3[nH]cnc3c2)c2ncnn21
365638069	ZINC000617442050	ref	2.23	-16.89	0	279.344	0.121	1	6	3	CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@H](C)n2ncnc21
365638077	ZINC000617442107	ref	4.0	-16.92	0	275.316	0.715	1	7	4	CCCn1cc(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)nn1
365638088	ZINC000617442095	ref	5.12	-19.5	0	250.302	0.969	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@H]2CCCCO2)c2ncnn21
365638097	ZINC000617441706	ref	4.36	-15.25	0	264.329	0.951	2	5	4	C[C@@H]1C[C@H](NC(=O)C[C@@](C)(O)C2CC2)c2ncnn21
303960019	ZINC000563542665	ref	1.08	-21.17	0	320.455	1.013	2	4	9	CC(C)[C@@H]1OCC[C@H]1CNC(=O)CCCCCS(N)(=O)=O
342596588	ZINC000616979032	ref	5.13	-9.16	0	266.341	1.965	1	3	6	CC[C@@H](C)N(CC)C(=O)CNC(=O)c1ccoc1C
178305456	ZINC000037490376	ref	6.1	-8.97	0	230.311	2.739	1	3	1	Cc1cc2ncn([C@H]3CCC[C@@H]3O)c2cc1C
365638107	ZINC000617441626	ref	4.7	-22.93	0	273.296	0.711	2	5	2	Cc1c[nH]cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1=O
282123007	ZINC000165048056	ref	5.01	-47.17	-1	281.312	1.566	1	7	7	CCC(CC)(CNc1cncc(C(=O)OC)n1)C(=O)[O-]
365638119	ZINC000617440669	ref	4.19	-25.29	0	284.283	0.152	1	8	2	C[C@H]1C[C@@H](NC(=O)c2ccc3nnnn3c2)c2ncnn21
365638131	ZINC000617440934	ref	4.0	-13.85	0	250.302	0.969	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@]2(C)CCCO2)c2ncnn21
199273105	ZINC000294963880	mid	7.7	-6.31	0	275.274	3.193	2	2	4	CC(C)(CC(=O)Nc1ncc(C(F)(F)F)[nH]1)C1CC1
365638139	ZINC000617441454	ref	3.4	-26.72	0	283.295	0.985	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2cccc3n[nH]nc23)c2ncnn21
323004632	ZINC000065898556	ref	3.9	-12.64	0	237.303	1.359	1	3	4	CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1C
365638004	ZINC000625082012	low	4.64	-36.86	1	320.33	2.388	2	2	4	OCc1ccc(F)c(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c1
230732045	ZINC000450421389	ref	4.7	-20.64	0	305.382	1.717	1	5	5	CC[C@H](C)n1[nH]c(=NC(=O)c2cn(C)nc2COC)cc1C
178303441	ZINC000237242933	ref	7.51	-51.04	1	351.397	1.776	1	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1
178303443	ZINC000237237577	ref	9.3	-77.39	0	354.41	1.389	2	5	5	C[NH+]1CCN(c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccn2)CC1
178303447	ZINC000237237577	mid	6.94	-56.96	-1	354.41	1.389	1	6	5	CN1CCN(c2cc(C(=O)N[C@H](C(=O)[O-])c3ccccc3)ccn2)CC1
178303451	ZINC000237235826	ref	3.34	-53.61	1	373.457	1.458	2	6	8	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])n2)cc1
365638012	ZINC000625082012	low	4.64	-36.86	1	320.33	2.388	2	2	4	OCc1ccc(F)c(C[N@H+]2CCCN(CC(F)(F)F)CC2)c1
365638018	ZINC000625082313	ref	6.37	-10.46	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1CC[C@@H](C)C[C@@H](C)C1)C1CC1
365638024	ZINC000625082587	ref	3.27	-10.58	0	319.373	2.197	1	3	4	Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[C@H](C)O)c(F)c1F
365638028	ZINC000625083016	ref	7.6	-11.08	0	320.437	2.34	0	6	5	CC[C@H](C)c1nnc(N2CC3(CCCO3)C2)n1C[C@H]1CCCO1
365639328	ZINC000336555613	mid	5.75	-3.09	0	261.365	2.487	0	3	3	c1ccc([C@@H]2COCCN2C[C@@H]2CCCOC2)cc1
178303453	ZINC000237234485	ref	5.06	-52.77	1	355.385	1.755	2	3	7	C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O
178303457	ZINC000237223349	ref	2.47	-46.63	1	350.459	1.879	3	4	8	COc1cc(OC)cc([C@H](O)CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)c1
178303462	ZINC000237228094	ref	4.44	-49.28	1	358.385	1.724	2	4	10	COc1ccc(CCNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1OC(F)F
365639332	ZINC000336555676	ref	5.91	-39.37	1	253.415	2.224	1	3	3	Cc1ncc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1
365639336	ZINC000336555676	mid	6.09	-37.2	1	253.415	2.224	1	3	3	Cc1ncc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)s1
178303466	ZINC000237228094	high	3.01	-17.39	0	358.385	1.724	2	5	10	COc1ccc(CCNC(=O)CNC[C@@H]2CCCO2)cc1OC(F)F
178303468	ZINC000237233147	ref	7.66	-48.4	1	373.497	1.831	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)cc1
365639338	ZINC000336555676	mid	5.98	-35.94	1	253.415	2.224	1	3	3	Cc1ncc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)s1
259308392	ZINC000180697510	ref	6.4	-6.23	0	209.333	2.872	1	1	2	C[C@H]1C[C@H]1NC(=O)C1(C)CCCCCC1
365639344	ZINC000336555676	mid	5.9	-35.41	1	253.415	2.224	1	3	3	Cc1ncc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)s1
214187266	ZINC000278488214	ref	9.41	-17.03	0	321.312	1.91	0	7	4	Cn1cnc([N+](=O)[O-])c1N1CCC(Oc2ncccc2F)CC1
214187268	ZINC000278487468	ref	8.64	-46.81	1	309.45	3.467	2	2	5	O[C@H](C[C@@H]1CCC[N@@H+]1C[C@H]1CCSC1)c1ccc(F)cc1
342080112	ZINC000625309500	ref	-0.57	-7.78	0	277.299	1.447	2	5	6	COc1cncc(CN[C@H](CO)c2cccc(F)c2)n1
214187270	ZINC000278487468	mid	9.12	-44.57	1	309.45	3.467	2	2	5	O[C@H](C[C@@H]1CCC[N@H+]1C[C@H]1CCSC1)c1ccc(F)cc1
342080113	ZINC000625309500	low	0.63	-48.13	1	277.299	1.447	2	4	6	COc1cncc(C[NH2+][C@H](CO)c2cccc(F)c2)n1
342080114	ZINC000625317800	ref	6.64	-16.52	0	292.383	1.483	0	5	3	COC1CC(C(=O)N2CCC[C@H](n3nc(C)nc3C)C2)C1
214187273	ZINC000278488220	ref	2.01	-8.52	0	322.361	1.183	2	5	4	COc1cc(NC(=O)C(=O)N[C@H]2CCOC[C@H]2C)cc(OC)c1
214187276	ZINC000278487015	ref	4.15	-8.59	0	300.387	3.293	2	5	4	c1coc(-c2ncc(CN[C@@H]3CCCc4c[nH]nc43)s2)c1
214187278	ZINC000278487015	mid	5.32	-51.96	1	300.387	3.293	2	4	4	c1coc(-c2ncc(C[NH2+][C@@H]3CCCc4cn[nH]c43)s2)c1
342080115	ZINC000625310699	ref	4.17	-39.13	1	253.317	1.717	2	2	4	Cc1ccc(C[N@@H+](C)[C@@]2(CO)CCOC2)cc1F
214187280	ZINC000278487015	mid	5.55	-39.79	1	300.387	3.293	2	4	4	c1coc(-c2ncc(C[NH2+][C@@H]3CCCc4c[nH]nc43)s2)c1
214187281	ZINC000278487015	high	4.1	-8.78	0	300.387	3.293	2	5	4	c1coc(-c2ncc(CN[C@@H]3CCCc4cn[nH]c43)s2)c1
214187283	ZINC000278486854	ref	3.66	-10.18	0	323.403	3.288	1	9	6	Cc1nc([C@H](C)Sc2nnc(NCc3ccco3)s2)no1
342080116	ZINC000625310699	mid	4.01	-40.22	1	253.317	1.717	2	2	4	Cc1ccc(C[N@H+](C)[C@@]2(CO)CCOC2)cc1F
342080117	ZINC000625310699	high	2.03	-4.71	0	253.317	1.717	1	3	4	Cc1ccc(CN(C)[C@@]2(CO)CCOC2)cc1F
342080118	ZINC000625317496	ref	6.71	-36.45	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)C1
342080119	ZINC000625317496	mid	6.18	-38.05	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)C1
349535143	ZINC000602431231	ref	6.39	-34.09	1	243.347	1.686	1	3	5	CC[C@](C)(C[N@@H+]1CCC[C@@H](C(=O)OC)C1)OC
349535146	ZINC000602431231	mid	7.37	-33.49	1	243.347	1.686	1	3	5	CC[C@](C)(C[N@H+]1CCC[C@@H](C(=O)OC)C1)OC
214187285	ZINC000278486750	ref	5.34	-45.13	1	309.385	1.422	3	2	4	C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@@H](C)C1
349535151	ZINC000602431022	ref	7.93	-44.97	1	206.289	2.651	1	2	6	C[C@@H](CCC#N)C[N@H+](C)Cc1ccco1
349535155	ZINC000602431022	mid	7.85	-45.21	1	206.289	2.651	1	2	6	C[C@@H](CCC#N)C[N@@H+](C)Cc1ccco1
192037756	ZINC000273080284	ref	-0.6	-16.52	0	283.284	0.243	3	5	5	COC(=O)c1c(C)[nH]c(C(=O)NCCOC(N)=O)c1C
192037758	ZINC000273080169	ref	2.8	-8.17	0	277.368	1.227	1	4	5	C[C@@H](CN1CCOCC1)C(=O)N[C@H](C)c1ccccn1
192037759	ZINC000273080169	mid	4.99	-38.19	1	277.368	1.227	2	3	5	C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1ccccn1
192037761	ZINC000273079777	ref	4.84	-18.34	0	274.32	1.225	2	3	4	C[C@@](O)(CC(=O)NN1Cc2ccccc2C1=O)C1CC1
398245598	ZINC000417629930	ref	8.94	-54.35	0	249.354	3.036	1	2	7	CC[C@H](CCC(=O)[O-])[NH2+]Cc1c(C)cccc1C
178303458	ZINC000073665636	ref	-1.1	-54.44	-1	241.272	0.386	0	5	1	Cc1cc2nc(S(C)(=O)=O)[n-]c(=O)c2n1C
178303460	ZINC000035602261	ref	2.86	-45.62	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@@H](C)[NH2+][C@@H](C)CO)c(C)n2n1
343994052	ZINC000079918528	ref	4.69	-10.03	0	278.396	2.18	2	3	8	CCC(C)(C)NC(=O)CN(CCCO)c1ccccc1
192037763	ZINC000273079953	ref	3.84	-15.01	0	291.326	1.604	1	4	4	C[C@@H](CN1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1
343994900	ZINC000079949821	ref	8.21	-33.68	1	296.455	2.428	2	2	8	C[C@@H](C1CC1)[N@H+](C)CC(=O)NCCO[C@H]1CCCC[C@H]1C
349535148	ZINC000594969610	ref	6.79	-46.16	1	272.392	2.738	2	2	6	C[C@H]([NH2+]Cc1ccc(C(C)(C)C#N)cc1)C1(CO)CC1
192037766	ZINC000273079953	mid	6.05	-50.24	1	291.326	1.604	2	3	4	C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(F)c(C#N)c1
178303463	ZINC000035602261	high	1.97	-9.26	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@@H](C)N[C@@H](C)CO)c(C)n2n1
192037767	ZINC000273079873	ref	3.92	-7.96	0	278.283	2.321	1	4	6	COCC[C@H](NC(=O)c1ccc(F)cn1)c1ccco1
178303465	ZINC000100642523	ref	4.96	-44.61	-1	203.245	1.622	0	3	0	Cc1cc2nc3c(c(=O)n2[n-]1)CCCC3
178303469	ZINC000100642523	low	5.08	-13.92	0	203.245	1.622	1	3	0	Cc1cc2nc3c(c(=O)n2[nH]1)CCCC3
192037769	ZINC000273080008	ref	-1.08	-9.85	0	277.202	0.926	2	4	4	NC(=O)OCCNC(=O)c1ccc(C(F)(F)F)cn1
349535153	ZINC000594968916	ref	6.24	-43.94	1	269.385	2.605	1	1	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1
192037771	ZINC000273079981	ref	-0.3	-20.25	0	279.296	0.667	3	4	4	Cc1c(C(=O)NCCOC(N)=O)[nH]c2c1C(=O)CCC2
185089143	ZINC000096075198	ref	4.2	-33.71	1	275.396	2.15	1	3	3	COc1ncccc1CN1CCC2(CCC[N@@H+]2C)CC1
178303472	ZINC000054334385	ref	3.82	-51.4	1	203.289	2.242	2	1	2	Cc1cc2nc([C@@H](C)C[NH3+])[nH]c2cc1C
349535157	ZINC000594968916	high	5.19	-16.09	0	269.385	2.605	1	2	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccccc2F)C1
192037773	ZINC000273079785	ref	0.65	-9.25	0	268.263	2.084	2	4	5	Cc1cnc(CN[C@H](CO)c2c(F)cccc2F)o1
192037775	ZINC000273080009	ref	5.96	-11.49	0	253.248	2.534	0	2	2	COc1cccc(F)c1C(=O)N1CCC=C(F)C1
199273107	ZINC000181260223	ref	7.8	-8.29	0	321.417	2.34	1	4	9	COC[C@@](C)(NC(=O)[C@@H](C)CCCc1ccccc1)C(=O)OC
192037777	ZINC000273080198	ref	7.57	-11.99	0	258.325	1.796	1	4	4	C[C@@H](NC(=O)[C@H](C)c1ccccc1)c1nncn1C
214187267	ZINC000293607747	ref	1.94	-16.37	0	360.414	0.766	3	4	6	CC(=O)N(c1ccc(NC(=O)C(=O)N[C@@H](C(N)=O)C(C)C)cc1)C1CC1
365638007	ZINC000123500553	ref	7.87	-12.87	0	281.302	2.417	0	2	1	C[C@@H]1CC[C@H](C(=O)N2CCc3c(F)cc(F)cc3C2)O1
178305458	ZINC000037490376	low	6.58	-30.13	1	230.311	2.739	1	2	1	Cc1cc2[nH+]cn([C@H]3CCC[C@@H]3O)c2cc1C
192037779	ZINC000273080302	ref	5.65	-40.77	1	275.348	2.463	1	3	4	C[C@@]1([NH2+]Cc2cccc3c2OCO3)CCO[C@H]1C1CC1
282123009	ZINC000424379590	ref	7.03	-47.63	-1	290.367	2.58	1	6	6	CCC(CC)(CNc1ccnc2c1c(C)nn2C)C(=O)[O-]
192037781	ZINC000273080302	high	4.45	-7.0	0	275.348	2.463	1	4	4	C[C@@]1(NCc2cccc3c2OCO3)CCO[C@H]1C1CC1
342596589	ZINC000590794400	ref	5.78	-8.54	0	272.414	1.836	0	2	5	C[C@@H](C1CC1)N(C)S(=O)(=O)N1CCC[C@@H]1C1CC1
342596590	ZINC000308375764	ref	4.4	-5.06	0	260.341	1.652	1	5	2	CCc1nc(C#N)cc(N2CCC[C@@](C)(O)CC2)n1
192037784	ZINC000273079812	ref	1.35	-56.88	1	274.324	1.179	2	4	3	Cc1cc(C(=O)NC[C@H]2CC[NH2+]C2)c2c(C)noc2n1
342596591	ZINC000616979392	ref	3.24	-11.7	0	283.372	1.402	2	3	7	CC[C@H](C)N(CC)C(=O)CCC[C@@]1(C)NC(=O)NC1=O
342596592	ZINC000616979227	ref	6.91	-15.54	0	254.374	1.892	0	2	5	CCC(=O)N1CC[C@H](C(=O)N(CC)[C@@H](C)CC)C1
342596593	ZINC000616973221	ref	3.97	-17.62	0	278.739	1.448	2	2	3	O=C1NCC[C@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
136229316	ZINC000292999756	high	4.48	-9.46	0	235.287	1.267	1	4	5	CC#CCN(C)CCC(=O)Nc1cc(C)on1
365638035	ZINC000123515502	ref	3.04	-28.67	0	255.745	2.439	2	2	3	[O-]c1c(Cl)cccc1C[NH2+]C1CCC(O)CC1
199273109	ZINC000181263288	ref	11.01	-8.17	0	305.385	2.965	0	5	2	Cc1cccc(C2=CCN(c3ncnc4c3cnn4C)CC2)c1
365638050	ZINC000123515502	low	2.23	-40.65	1	255.745	2.439	3	2	3	Oc1c(Cl)cccc1C[NH2+]C1CCC(O)CC1
342596594	ZINC000590795640	ref	5.6	-12.04	0	298.412	1.251	0	4	3	O=S(=O)(N1CCCCC1)N1CCC[C@H](n2ccnc2)C1
136229317	ZINC000293016700	ref	6.38	-10.47	0	242.388	2.347	1	2	4	C=C(C)CNC(=O)N1CCC[C@H](CSC)C1
342596595	ZINC000590795640	low	6.32	-41.85	1	298.412	1.251	0	3	3	O=S(=O)(N1CCCCC1)N1CCC[C@H](n2cc[nH+]c2)C1
342080120	ZINC000625317851	ref	8.29	-50.41	1	284.363	1.563	1	3	1	Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c2nccn2c1
192037776	ZINC000418463556	ref	4.63	-57.16	1	239.363	1.696	2	1	2	C[C@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCC[C@@H]1C[NH3+]
342080121	ZINC000625317851	mid	8.76	-45.62	1	284.363	1.563	1	3	1	Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2nccn2c1
342080122	ZINC000625317851	high	6.65	-16.21	0	284.363	1.563	0	4	1	Cc1cc(C(=O)N2CCN3CCC[C@@H]3C2)c2nccn2c1
342080123	ZINC000625317177	ref	8.26	-45.11	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@H](C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2
365638009	ZINC000641602149	ref	3.32	-15.76	0	254.289	1.442	1	3	1	O=C(c1cccc2cnccc12)N1C[C@@H]2C[C@]2(O)C1
192037778	ZINC000418464129	ref	3.77	-50.62	1	227.352	1.411	2	1	5	C[C@@H](C1CCC1)N(C)C(=O)NC[C@H](C)C[NH3+]
342080124	ZINC000625317177	mid	7.83	-47.81	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@H](C(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2
365638017	ZINC000641602199	ref	3.41	-10.18	0	266.366	1.647	1	4	1	CC(C)(C)c1ncsc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365638025	ZINC000641605303	ref	2.04	-12.53	0	287.36	1.081	0	4	3	CCS(=O)(=O)N1CCN(c2ccncc2F)[C@H](C)C1
230732084	ZINC000450418096	ref	7.43	-10.42	0	323.19	1.811	0	2	2	CN1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Br)cc2)CC1=O
365638030	ZINC000641605303	low	2.51	-49.61	1	287.36	1.081	0	3	3	CCS(=O)(=O)N1CCN(c2cc[nH+]cc2F)[C@H](C)C1
365638040	ZINC000641602140	ref	0.94	-8.05	0	292.379	1.33	2	5	3	OCc1ccnc(N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1
230732095	ZINC000450417271	ref	6.04	-6.51	0	310.35	1.641	1	6	5	CCOC(=O)c1cc(C(=O)N[C@@H]2[C@H](C)[C@H](OC)C2(C)C)on1
365638048	ZINC000641602140	low	1.01	-32.52	1	292.379	1.33	2	4	3	OCc1cc[nH+]c(N2CCOC[C@@H]2[C@H]2CCCC[C@H]2O)c1
398245599	ZINC000650438331	ref	4.22	-12.91	0	245.273	1.758	1	3	5	CCc1c(C(=O)NCCC(C)(F)F)cnn1C
365638053	ZINC000641602162	ref	4.84	-18.32	0	279.311	1.576	1	3	4	CC[C@H](Oc1ccccc1F)C(=O)N1C[C@@H]2C[C@]2(O)C1
365638065	ZINC000641602123	ref	4.47	-11.62	0	270.332	1.992	2	2	1	Cc1ccc2[nH]c(C(=O)N3C[C@H]4C[C@@]4(O)C3)cc2c1C
365638075	ZINC000641602168	ref	3.56	-14.26	0	283.274	1.424	1	3	4	O=C(Cc1ccccc1OC(F)F)N1C[C@H]2C[C@@]2(O)C1
365638082	ZINC000641602135	ref	5.35	-39.6	1	288.457	1.969	2	2	5	CC1(CS(=O)(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCC1
230732116	ZINC000450416873	ref	8.47	-16.75	0	319.409	1.737	0	7	9	COCCCOCCN(C)c1ccc2nnc([C@@H]3C[C@@H]3C)n2n1
365638085	ZINC000641602135	mid	5.53	-39.37	1	288.457	1.969	2	2	5	CC1(CS(=O)(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCC1
192037780	ZINC000418429492	ref	2.05	-98.49	2	240.351	0.285	4	1	5	CC(C)([NH3+])CNC(=O)NCC[N@H+]1CC=CCC1
365638013	ZINC000336555074	ref	6.39	-36.58	1	250.342	2.232	1	3	3	Cc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)no1
178303473	ZINC000237233147	high	6.14	-11.49	0	373.497	1.831	1	4	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@]3(C)CCCCN3)CC2)cc1
192037782	ZINC000418429492	mid	2.05	-98.45	2	240.351	0.285	4	1	5	CC(C)([NH3+])CNC(=O)NCC[N@@H+]1CC=CCC1
178303477	ZINC000237237285	ref	7.45	-51.04	1	351.397	1.776	1	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1
192037783	ZINC000418429492	mid	-0.22	-49.37	1	240.351	0.285	3	2	5	CC(C)([NH3+])CNC(=O)NCCN1CC=CCC1
178303480	ZINC000237225280	ref	5.27	-35.9	1	359.879	1.171	1	3	6	C[NH2+]C[C@H]1CCCN1C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
178303486	ZINC000237229260	ref	7.37	-60.18	-1	360.179	1.831	0	4	4	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2ccc(F)c(Br)c2)C1
178303492	ZINC000237229576	ref	6.4	-50.26	-1	367.449	1.99	1	5	6	CN1CCN([C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1
192037785	ZINC000418430201	ref	2.61	-50.48	1	219.354	0.728	2	2	5	CSCCN(C)C(=O)NCC(C)(C)[NH3+]
192037787	ZINC000418428566	ref	1.67	-53.06	1	235.278	1.068	3	1	4	[NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC(F)F
398245600	ZINC000061645015	ref	5.53	-84.02	2	239.363	0.539	2	1	3	C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1
136229318	ZINC000292984578	ref	0.89	-8.22	0	217.219	2.775	1	4	7	C=CCCCCNc1nnc(C(F)F)o1
136229319	ZINC000293193607	ref	6.12	-8.39	0	241.241	1.831	0	3	3	C=CCC(F)(F)C(=O)N1CCCn2nccc21
178303494	ZINC000237229576	mid	8.78	-74.38	0	367.449	1.99	2	4	6	C[NH+]1CCN([C@@H](C(=O)NCc2ccc(C(=O)[O-])cc2)c2ccccc2)CC1
192037789	ZINC000418463168	ref	2.94	-52.06	1	239.319	1.577	2	2	5	C[C@@H](C[NH3+])CNC(=O)N(C)[C@H](C)c1ccco1
398245603	ZINC000061645015	high	3.17	-42.57	1	239.363	0.539	1	2	3	CN(C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]C1
192037792	ZINC000418464252	ref	4.93	-44.64	1	229.368	1.673	2	1	8	CCC[NH2+]CCNC(=O)N(C)C[C@H](C)CC
398245605	ZINC000457171766	ref	6.81	-11.39	0	248.37	2.875	1	2	7	CCCC[C@H](C)C(=O)NCCc1ccc(C)cn1
136229320	ZINC000293351886	ref	7.56	-4.31	0	233.302	3.092	0	1	7	C=CCC(F)(F)C(=O)N(CC)C[C@@H](C)CC
192037795	ZINC000418431052	ref	3.08	-48.07	1	215.341	1.554	2	1	5	CCC([NH3+])(CC)CNC(=O)N(C)C(C)C
136229321	ZINC000184992711	ref	5.0	-10.54	0	245.322	2.03	2	2	6	CC#CCCCC(=O)N[C@@H](CO)c1ccccc1
192037798	ZINC000418462405	ref	4.93	-53.73	1	241.379	1.945	2	1	6	CCCCN(CC)C(=O)N[C@@H]1CCC[C@H]1C[NH3+]
342596596	ZINC000590794840	ref	5.45	-7.93	0	272.414	1.98	0	2	3	C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C1CC1
342596597	ZINC000616973262	ref	3.0	-16.27	0	288.347	1.159	2	3	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1
192037786	ZINC000273079818	ref	4.0	-48.02	1	272.352	1.221	3	2	5	O=C(CCc1nc2ccccc2[nH]1)NC[C@H]1CC[NH2+]C1
342596598	ZINC000616979031	ref	5.25	-9.13	0	266.341	1.965	1	3	6	CC[C@H](C)N(CC)C(=O)CNC(=O)c1ccoc1C
365638020	ZINC000336555074	mid	7.04	-37.43	1	250.342	2.232	1	3	3	Cc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)no1
365638023	ZINC000336555074	mid	4.8	-6.48	0	250.342	2.232	0	4	3	Cc1cc(CN2CCC[C@@H]([C@@H]3CCOC3)C2)no1
342596599	ZINC000590794938	ref	5.07	-14.1	0	257.359	1.26	0	4	4	CCCS(=O)(=O)N1CCC[C@H](n2ccnc2)C1
197594241	ZINC000290094370	ref	6.25	-9.81	0	281.787	2.58	1	2	5	CC(C)N(CCN1CCNC1=O)c1ccc(Cl)cc1
365638031	ZINC000336554496	ref	7.91	-38.36	1	260.381	2.432	2	1	3	Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C
365638039	ZINC000336554496	mid	7.91	-39.12	1	260.381	2.432	2	1	3	Cc1ccc([C@@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1C
197594242	ZINC000290095656	ref	5.83	-36.79	1	264.394	3.37	1	3	5	CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1cnc2ccsc2c1
192037788	ZINC000273080174	ref	5.6	-24.1	0	282.409	1.903	1	2	5	Cc1cccc(CN(C)C(=O)N[C@H](C)C[S@@](C)=O)c1
349535152	ZINC000093282417	mid	5.04	-35.05	1	256.346	0.644	2	3	4	CNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)C(=O)OC)C1
178303475	ZINC000054334385	low	4.26	-103.68	2	203.289	2.242	2	0	2	Cc1cc2[nH]c([C@@H](C)C[NH3+])[nH+]c2cc1C
192037790	ZINC000273080178	ref	5.99	-14.66	0	282.409	1.903	1	2	5	Cc1cccc(CN(C)C(=O)N[C@@H](C)C[S@@](C)=O)c1
197594244	ZINC000290095656	high	5.18	-5.62	0	264.394	3.37	1	4	5	CO[C@H](C)[C@@H](C)N[C@@H](C)c1cnc2ccsc2c1
365638047	ZINC000336554397	ref	7.78	-11.89	0	293.436	2.194	0	4	3	CSC[C@@H]1CCCN1C(=O)[C@H]1CCCc2nn(C)cc21
365638057	ZINC000336555028	ref	7.02	-38.08	1	276.428	2.059	1	3	3	Cc1cc(C)n(CCN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)n1
282123011	ZINC000261946521	ref	1.48	-15.66	0	279.344	-0.606	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1NCCO[C@@H]1C)CC2
282123015	ZINC000261946521	mid	2.76	-48.69	1	279.344	-0.606	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1[NH2+]CCO[C@@H]1C)CC2
365638062	ZINC000336555028	mid	6.5	-38.45	1	276.428	2.059	1	3	3	Cc1cc(C)n(CCN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)n1
323004633	ZINC000127210076	ref	-1.75	-7.76	0	212.249	0.738	2	4	5	CCc1nc(C(=O)N[C@@H](CC)CO)co1
365638067	ZINC000336555028	high	4.77	-5.98	0	276.428	2.059	0	4	3	Cc1cc(C)n(CCN2C[C@@H]3CCCCN3C[C@H]2C)n1
365638033	ZINC000172916034	ref	1.56	-13.6	0	274.317	1.092	2	3	4	CC(C)(NS(C)(=O)=O)C(=O)Nc1ccc(F)cc1
214187269	ZINC000053539982	ref	4.11	-26.39	0	337.445	2.201	2	4	7	CC[C@H](C)[C@H](NC(=O)CS(=O)(=O)CC)c1nc2ccccc2[nH]1
365638042	ZINC000172922903	ref	6.97	-13.21	0	274.324	1.342	1	5	6	COCCCNC(=O)c1ccc(-n2cncn2)c(C)c1
230732092	ZINC000425468033	ref	4.69	-8.9	0	311.407	2.48	2	5	6	CCC1(CNC(=O)N[C@H](C)c2ncc(C(=O)OC)s2)CC1
365638056	ZINC000172921161	ref	8.41	-12.21	0	251.359	1.645	0	6	5	CSCCCn1cnc2c(N(C)C)ncnc21
342080125	ZINC000625317177	low	8.69	-84.79	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2
342080126	ZINC000625317177	low	8.26	-86.78	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2
365638068	ZINC000172916995	ref	1.62	-15.07	0	274.317	1.092	2	3	4	CC(C)(NS(C)(=O)=O)C(=O)Nc1cccc(F)c1
365638080	ZINC000172926723	ref	2.01	-21.16	0	298.364	1.155	2	4	5	CC(=O)c1cccc(NC(=O)C(C)(C)NS(C)(=O)=O)c1
342080127	ZINC000625317177	high	6.03	-10.64	0	288.395	1.061	0	4	1	Cc1cn2c(n1)C[C@H](C(=O)N1CCN3CCC[C@H]3C1)CC2
192037791	ZINC000273079773	ref	4.96	-21.24	0	274.32	1.225	2	3	4	C[C@](O)(CC(=O)NN1Cc2ccccc2C1=O)C1CC1
214187272	ZINC000053543900	ref	5.99	-17.14	0	347.362	1.929	1	4	4	CNC(=O)[C@H]1CCCN1C(=O)CSc1ccc(C(F)(F)F)cn1
365638095	ZINC000172917256	ref	3.75	-13.57	0	278.377	1.419	2	3	5	C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Sc1ccccc1
214187275	ZINC000053537093	ref	5.21	-39.81	1	346.431	0.974	3	3	5	COc1ccccc1[C@H](CNC(=O)N1CCNC(=O)C1)[NH+]1CCCC1
365638105	ZINC000258703772	ref	3.41	-46.74	1	261.373	1.394	1	4	3	[NH3+]C[C@@H]1CCCN1c1cc(N2CCCCC2)ncn1
342080128	ZINC000625317813	ref	6.64	-15.87	0	292.383	1.483	0	5	3	COC1CC(C(=O)N2CCC[C@@H](n3nc(C)nc3C)C2)C1
342080129	ZINC000050952001	ref	7.97	-83.31	2	269.433	1.566	2	1	8	CCCN(CC[NH+](C)C)C(=O)CCC1CC[NH2+]CC1
214187279	ZINC000053537093	mid	3.48	-11.94	0	346.431	0.974	2	4	5	COc1ccccc1[C@H](CNC(=O)N1CCNC(=O)C1)N1CCCC1
343994053	ZINC000625559366	ref	1.74	-9.96	0	233.333	1.051	1	3	6	C/C=C/CNS(=O)(=O)CC[C@H]1CCCO1
214187284	ZINC000053551312	ref	1.96	-22.11	0	332.36	1.207	3	4	3	CCOC(=O)N[C@H]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
342080130	ZINC000050952001	high	5.51	-44.9	1	269.433	1.566	1	2	8	CCCN(CCN(C)C)C(=O)CCC1CC[NH2+]CC1
365638116	ZINC000258703772	low	3.72	-100.04	2	261.373	1.394	1	3	3	[NH3+]C[C@@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1
365638034	ZINC000576605672	low	8.04	-33.29	1	243.354	3.708	2	1	5	CCc1ccc(CC)c(N[C@H](C)c2[nH]cc[nH+]2)c1
192037793	ZINC000273079894	ref	3.55	-20.64	0	286.291	0.998	1	5	4	Cc1noc(CCC(=O)NN2Cc3ccccc3C2=O)n1
342080131	ZINC000625310742	ref	7.28	-40.98	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c(C)n1
365638043	ZINC000576605059	ref	6.25	-16.39	0	248.33	1.459	0	4	4	O=C(CC1CCC1)N1CCC[C@H]1Cn1ccnn1
136229322	ZINC000293006463	ref	4.42	-7.96	0	246.213	2.194	0	5	5	C=CCC(F)(F)C(=O)O[C@@H](C)c1noc(C)n1
192037796	ZINC000273080185	ref	2.33	-10.78	0	284.366	1.712	1	7	6	COCc1nsc(NC(=O)CCc2cscn2)n1
365638052	ZINC000576605722	ref	8.56	-42.99	1	247.382	3.052	1	1	8	COC[C@H](C)C[NH2+]C[C@@H](c1ccccc1)C1CC1
185089144	ZINC000096075198	mid	4.22	-33.52	1	275.396	2.15	1	3	3	COc1ncccc1CN1CCC2(CCC[N@H+]2C)CC1
282123012	ZINC000165058500	ref	8.21	-48.61	-1	284.287	3.037	1	5	7	CCC(CC)(CNc1ccc(F)cc1[N+](=O)[O-])C(=O)[O-]
282123014	ZINC000194175205	ref	7.97	-33.28	1	295.423	2.513	1	3	6	CCC(CC)(C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCC2)C(=O)OC
282123016	ZINC000424378517	ref	8.06	-54.56	-1	325.321	2.079	1	8	8	CCC(CC)(CNc1nc(C(=O)OC)ccc1[N+](=O)[O-])C(=O)[O-]
192037803	ZINC000273079876	ref	7.8	-15.99	0	263.341	2.045	1	4	5	CN(C)c1cccc(NC(=O)COC2CCCC2)n1
197594251	ZINC000290095791	ref	9.5	-39.11	1	294.826	3.303	1	1	5	CC[C@@H](C(=O)N1Cc2cccc(Cl)c2C1)[NH+](CC)CC
197594253	ZINC000290095791	high	6.79	-9.61	0	294.826	3.303	0	2	5	CC[C@@H](C(=O)N1Cc2cccc(Cl)c2C1)N(CC)CC
197594254	ZINC000290097024	ref	8.15	-9.44	0	261.34	3.32	1	1	4	O=C(N[C@@H]1CCCc2ccccc21)C1(CCF)CC1
365638060	ZINC000576600358	ref	3.54	-48.75	1	248.33	1.062	3	2	5	O=C(NCC[NH2+][C@@H]1CCCC12CC2)c1ccn[nH]1
282123022	ZINC000301429256	ref	1.8	-14.15	0	257.359	1.492	1	5	6	CCC(CC)(CNc1cnccn1)S(C)(=O)=O
282123650	ZINC000151697541	ref	7.29	-40.52	1	321.509	2.345	2	2	4	C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CC[NH+](C)CC1
342080132	ZINC000625310742	mid	8.0	-41.04	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c(C)n1
342080133	ZINC000625310742	high	4.81	-15.12	0	290.411	1.91	0	4	3	CCn1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c(C)n1
342080134	ZINC000625317493	ref	7.13	-36.13	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)C1
342080135	ZINC000625317493	mid	6.36	-36.44	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)C1
349535156	ZINC000093282417	mid	2.87	-11.34	0	256.346	0.644	1	4	4	CNC(=O)CN1CCC[C@@H](C(C)(C)C(=O)OC)C1
192037800	ZINC000418465048	ref	-0.71	-56.02	1	228.34	-0.025	4	1	5	C[NH+](C)CCNC(=O)N[C@H]1CCC[C@H]1C[NH3+]
214187271	ZINC000293603306	ref	4.9	-24.6	0	369.418	0.811	0	5	4	CN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)[C@@H]1CCN(S(C)(=O)=O)C1
365638038	ZINC000637720336	ref	9.75	-15.72	0	289.379	1.939	0	3	6	CCCCN(C(=O)[C@@H]1C[C@@H]1C(=O)N(C)C)c1ccccn1
365638046	ZINC000274365871	ref	5.06	-10.71	0	295.383	1.836	1	6	12	COCCOCCOCCCNc1ccnc(C2CC2)n1
365638051	ZINC000274365871	low	5.41	-34.32	1	295.383	1.836	1	5	12	COCCOCCOCCCNc1cc[nH+]c(C2CC2)n1
349535160	ZINC000093287188	ref	3.57	-13.09	0	269.349	0.677	2	5	8	CC(C)COCCCNC(=O)NCc1ncn(C)n1
214187274	ZINC000293615428	ref	3.56	-13.1	0	370.457	0.924	1	6	5	CCn1nc(C)c(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1
178303484	ZINC000004809748	ref	4.51	-14.59	0	244.214	1.336	1	6	2	Cc1cc2ncc(-c3n[nH]cc3[N+](=O)[O-])cn2n1
342080136	ZINC000608869610	ref	4.3	-10.81	0	253.323	1.829	1	4	5	CC[C@@H](Sc1ccc(C(=O)OC)cc1)C(N)=O
365638058	ZINC000274367149	ref	3.51	-12.72	0	291.395	1.989	3	2	7	CC(C)[C@H](NC(=O)NCC[C@@H](C)c1ccccc1)C(N)=O
365638066	ZINC000274364666	ref	3.28	-20.63	0	298.408	1.708	0	4	6	CC(C)Oc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)ccn1
365638073	ZINC000274366279	ref	3.47	-9.75	0	262.313	1.556	2	4	2	O=C(Nc1cncnc1)N[C@@H]1CCC[C@H]2OCC[C@H]12
192037802	ZINC000418465048	high	-0.71	-56.02	1	228.34	-0.025	3	2	5	CN(C)CCNC(=O)N[C@H]1CCC[C@H]1C[NH3+]
365638076	ZINC000274366812	ref	3.34	-15.57	0	272.37	1.466	0	4	6	CCCc1nc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)co1
365638083	ZINC000274365405	ref	5.98	-6.71	0	290.367	1.844	1	4	4	CN(CCC1CCCCC1)C(=O)C(=O)Nc1cncnc1
365638092	ZINC000274366816	ref	8.07	-14.47	0	285.351	1.759	1	5	5	Cn1ccc(C(=O)NCc2nnc(C3CC3)n2C2CC2)c1
342080137	ZINC000625317053	ref	2.53	-10.42	0	282.359	1.611	3	3	6	CC(C)(C)CNC(=O)CN[C@@H](CO)c1cccc(F)c1
178303495	ZINC000020083405	ref	1.89	-57.28	1	247.302	0.482	2	4	4	Cc1cc2ncc([C@H](C)[NH2+]CC(N)=O)c(C)n2n1
230732133	ZINC000425468631	ref	3.23	-10.36	0	318.352	2.493	2	4	5	COc1ccnc(CNC(=O)N[C@H](C)c2ccc(F)c(C)c2)n1
282123017	ZINC000333892588	ref	5.4	-48.01	1	291.399	0.796	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1[NH2+]CCCC1(C)C)CC2
365638098	ZINC000274365888	ref	2.9	-46.0	1	296.321	1.634	3	4	7	CC[N@H+](CCO)CCNc1cnc2cc(F)c(F)cc2n1
166172848	ZINC000032009136	low	6.24	-33.69	0	195.218	1.352	1	3	6	C=CC[N@H+](CC(=O)[O-])Cc1ccco1
342080138	ZINC000625317053	mid	3.64	-46.66	1	282.359	1.611	3	2	6	CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)c1cccc(F)c1
342080139	ZINC000625309845	ref	6.76	-13.94	0	293.758	1.575	0	5	3	Cn1cc(Cl)c(C(=O)N2CCC[C@@H]2Cn2cccn2)n1
342080140	ZINC000032315737	ref	4.88	-49.85	-1	277.349	1.743	0	4	4	CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CC1CC1
185386266	ZINC000096752635	ref	6.03	-56.13	-1	309.362	1.862	1	5	8	CC[C@H](C)[C@@H](NC(=O)Cc1ccc(OC)cc1OC)C(=O)[O-]
214187277	ZINC000293615428	mid	5.93	-50.65	1	370.457	0.924	2	5	5	CCn1nc(C)c(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)n1
342080141	ZINC000032315737	low	5.29	-25.84	0	277.349	1.743	1	4	4	CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)CC1CC1
214187282	ZINC000293612163	ref	4.16	-12.03	0	361.377	0.895	1	6	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cccc(C)c1F)C2
342080142	ZINC000625309007	ref	7.15	-14.69	0	282.25	1.773	0	5	2	Cc1cc(C(F)F)oc1C(=O)N1CCn2cnnc2C1
342080143	ZINC000625317035	ref	0.41	-6.9	0	269.341	1.223	3	5	8	COC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccco1
342596600	ZINC000590794938	low	5.77	-42.85	1	257.359	1.26	0	3	4	CCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1
365638061	ZINC000123466486	ref	9.03	-36.34	1	271.364	2.376	1	3	2	Cc1cccn2c(=O)cc(C[NH+]3[C@@H](C)CC[C@@H]3C)nc12
192037804	ZINC000418462806	ref	5.02	-45.42	1	239.363	1.427	2	1	5	CCC[NH2+]CCNC(=O)N1C[C@H]2CCC[C@@H]2C1
342080144	ZINC000625317035	mid	1.65	-39.07	1	269.341	1.223	3	4	8	COC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccco1
192037807	ZINC000418461603	ref	4.39	-51.36	1	247.408	1.364	2	2	7	CC[C@H](CSC)N(C)C(=O)NC[C@H](C)C[NH3+]
342080145	ZINC000625317176	ref	8.19	-46.07	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@@H](C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2
214187287	ZINC000293601374	ref	4.15	-13.31	0	364.337	0.858	2	7	6	Cc1c([N+](=O)[O-])ccc(F)c1NC(=O)C(=O)NCCCc1cnn(C)n1
192037809	ZINC000418464125	ref	3.94	-50.58	1	227.352	1.411	2	1	5	C[C@H](C[NH3+])CNC(=O)N(C)[C@H](C)C1CCC1
398245601	ZINC000390766400	ref	-3.99	-39.1	-1	235.234	1.248	1	4	5	CC[C@@H](C)[C@H](O)CN=c1[n-]nc(C(F)F)o1
342080146	ZINC000625317176	mid	7.77	-47.15	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@@H](C(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2
342080147	ZINC000625317176	low	8.62	-86.43	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@@H+]3CCC[C@H]3C1)CC2
342080148	ZINC000625317176	low	8.19	-85.94	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@@H](C(=O)N1CC[N@H+]3CCC[C@H]3C1)CC2
342596601	ZINC000590794909	ref	4.87	-17.31	0	299.396	1.029	0	5	4	O=S(=O)(C[C@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
282123018	ZINC000180862555	high	5.58	-10.94	0	315.417	1.889	1	3	5	CN(C)C[C@@H]1CN(C(=O)CCc2ccc3[nH]ccc3c2)CCO1
342596602	ZINC000590794909	low	5.58	-47.14	1	299.396	1.029	0	4	4	O=S(=O)(C[C@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342596603	ZINC000590795060	ref	5.63	-12.47	0	297.405	1.97	0	5	3	O=S(=O)(c1cccs1)N1CCC[C@@H](n2ccnc2)C1
342596604	ZINC000590795060	low	6.34	-37.72	1	297.405	1.97	0	4	3	O=S(=O)(c1cccs1)N1CCC[C@@H](n2cc[nH+]c2)C1
214187286	ZINC000278486750	mid	5.08	-44.32	1	309.385	1.422	3	2	4	C[C@H](O)C[N@H+]1CCN(C(=O)NCc2ccc(F)cc2)[C@@H](C)C1
192037810	ZINC000273080154	ref	2.53	-8.27	0	277.368	1.581	1	5	6	CC(C)Oc1ccc(CNCN2CCC(=O)CC2)cn1
192037812	ZINC000273080154	mid	3.99	-55.51	1	277.368	1.581	1	4	6	CC(C)Oc1ccc(C[NH2+]CN2CCC(=O)CC2)cn1
342596605	ZINC000616979054	ref	5.09	-20.56	0	261.387	1.601	0	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCCCS1(=O)=O
342596606	ZINC000616973184	ref	3.11	-18.02	0	286.253	1.253	2	2	3	O=C(Cc1cccc(C(F)(F)F)c1)N[C@@H]1CCNC1=O
192037814	ZINC000273079814	ref	1.31	-55.85	1	274.324	1.179	2	4	3	Cc1cc(C(=O)NC[C@@H]2CC[NH2+]C2)c2c(C)noc2n1
192037816	ZINC000273080171	ref	5.54	-23.27	0	282.409	1.903	1	2	5	Cc1cccc(CN(C)C(=O)N[C@@H](C)C[S@](C)=O)c1
192037817	ZINC000273080055	ref	-0.12	-25.23	0	294.336	0.288	2	5	6	C=CCS(=O)(=O)CCNC(=O)c1ccc2n[nH]nc2c1
192037820	ZINC000273080055	mid	-0.24	-28.58	0	294.336	0.288	2	5	6	C=CCS(=O)(=O)CCNC(=O)c1ccc2[nH]nnc2c1
282123020	ZINC000363652318	ref	5.73	-101.99	2	275.352	0.562	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH2+]C2)c2ccccc2O1
192037821	ZINC000273080055	high	-0.13	-55.73	-1	294.336	0.288	1	5	6	C=CCS(=O)(=O)CCNC(=O)c1ccc2n[n-]nc2c1
361823536	ZINC000616604707	mid	3.4	-11.83	0	255.321	1.728	1	3	1	CC(=O)N1CCNC[C@@H]1c1ccnc2ccccc12
192037823	ZINC000273080082	ref	6.71	-11.27	0	291.351	2.176	1	5	5	Cc1ccc([C@@H](C)NCN2CCC(=O)CC2)cc1[N+](=O)[O-]
192037825	ZINC000273080082	mid	7.32	-61.42	1	291.351	2.176	1	4	5	Cc1ccc([C@@H](C)[NH2+]CN2CCC(=O)CC2)cc1[N+](=O)[O-]
214187288	ZINC000278486750	mid	2.79	-8.04	0	309.385	1.422	2	3	4	C[C@H](O)CN1CCN(C(=O)NCc2ccc(F)cc2)[C@@H](C)C1
349535159	ZINC000602431022	high	5.78	-8.74	0	206.289	2.651	0	3	6	C[C@@H](CCC#N)CN(C)Cc1ccco1
342596607	ZINC000616979052	ref	4.85	-21.16	0	261.387	1.601	0	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCCS1(=O)=O
214187289	ZINC000053526804	ref	8.08	-24.17	0	347.342	1.673	2	8	5	O=C(Cc1ccc(-n2cnnn2)cc1)Nc1n[nH]c(-c2ccccn2)n1
214187292	ZINC000053526804	mid	8.08	-23.91	0	347.342	1.673	2	8	5	O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2ccccn2)n[nH]1
214187294	ZINC000053526804	high	8.01	-59.84	-1	347.342	1.673	1	8	5	O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nnc(-c2ccccn2)[n-]1
214187297	ZINC000053526804	high	7.92	-60.85	-1	347.342	1.673	1	8	5	O=C(Cc1ccc(-n2cnnn2)cc1)Nc1nc(-c2ccccn2)n[n-]1
214187299	ZINC000053526804	high	7.9	-60.78	-1	347.342	1.673	1	8	5	O=C(Cc1ccc(-n2cnnn2)cc1)Nc1n[n-]c(-c2ccccn2)n1
214187303	ZINC000053551417	ref	6.98	-20.59	0	344.415	2.334	1	5	4	CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H](C)n2cnc3ccccc32)C1
178303497	ZINC000237230372	ref	8.42	-71.37	-1	361.373	1.72	1	6	6	COC[C@@](C)(NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C(=O)[O-]
192037811	ZINC000418465049	ref	-1.17	-54.16	1	228.34	-0.025	4	1	5	C[NH+](C)CCNC(=O)N[C@@H]1CCC[C@H]1C[NH3+]
192037813	ZINC000418465049	high	-1.17	-54.16	1	228.34	-0.025	3	2	5	CN(C)CCNC(=O)N[C@@H]1CCC[C@H]1C[NH3+]
178303500	ZINC000237225617	ref	1.68	-52.04	1	353.366	1.465	3	3	8	C[NH2+]CCCC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
178303503	ZINC000237225617	high	1.3	-72.25	0	353.366	1.465	2	3	8	C[NH2+]CCCC(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1
214187306	ZINC000053548225	ref	6.94	-11.77	0	330.804	2.763	1	7	3	Cn1c(CSc2ncc(C#N)c(N)n2)nc2cc(Cl)ccc21
214187309	ZINC000053521004	ref	7.79	-15.71	0	336.436	1.875	1	5	6	CCOC(=O)C1CCN(C(=O)NCCCn2nc(C)cc2C)CC1
365638070	ZINC000623070822	high	2.09	-8.22	0	318.421	1.343	2	4	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)c1
185089146	ZINC000096075198	low	6.59	-96.22	2	275.396	2.15	2	2	3	COc1ncccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1
178303506	ZINC000237228147	ref	7.57	-43.89	1	374.222	1.88	1	2	5	C[NH2+]C[C@H]1CCCN1C(=O)COc1ccc(I)cc1
192037815	ZINC000418463745	ref	-1.31	-50.17	1	229.324	0.208	4	2	7	C/C=C\C[C@H](CO)NC(=O)NC[C@H](C)C[NH3+]
168364874	ZINC000368496221	ref	7.4	-7.96	0	347.418	3.308	1	5	6	c1ccc(-c2noc([C@@H](NC[C@H]3[C@@H]4COC[C@H]34)c3ccccc3)n2)cc1
365638078	ZINC000623070329	ref	4.98	-64.26	1	318.406	1.812	2	5	2	O=C(Nc1nccs1)N1CCC(n2ncc3c2C[NH2+]C3)CC1
365638087	ZINC000623070329	mid	3.47	-18.13	0	318.406	1.812	2	6	2	O=C(Nc1nccs1)N1CCC(n2ncc3c2CNC3)CC1
282123019	ZINC000333892588	high	4.12	-13.91	0	291.399	0.796	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1NCCCC1(C)C)CC2
282123021	ZINC000237830012	ref	4.04	-47.47	1	263.345	0.16	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)CC2
342596608	ZINC000590794679	ref	3.98	-12.48	0	259.371	1.37	0	3	4	O=S(=O)(C[C@H]1CCCO1)N1CCC[C@H]1C1CC1
342596609	ZINC000590794509	ref	5.64	-7.63	0	272.414	1.837	0	2	3	CC1CCN(S(=O)(=O)N2CCC[C@H]2C2CC2)CC1
342596610	ZINC000590794937	ref	5.11	-13.16	0	257.359	1.26	0	4	4	CCCS(=O)(=O)N1CCC[C@@H](n2ccnc2)C1
178303499	ZINC000020083405	mid	0.69	-15.51	0	247.302	0.482	2	5	4	Cc1cc2ncc([C@H](C)NCC(N)=O)c(C)n2n1
398245602	ZINC000390766719	ref	3.61	-37.68	1	210.321	1.433	2	1	2	CC1(C)C[NH2+][C@H]1C(=O)NC1CCCCC1
282123023	ZINC000237830012	high	2.68	-14.46	0	263.345	0.16	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCCN1)CC2
192037818	ZINC000418464039	ref	-0.18	-45.07	1	231.34	0.446	4	2	8	CCC[NH2+]CCNC(=O)NC[C@@](C)(O)CC
398245604	ZINC000390766719	high	2.1	-8.86	0	210.321	1.433	2	2	2	CC1(C)CN[C@H]1C(=O)NC1CCCCC1
342596611	ZINC000590794937	low	5.82	-38.27	1	257.359	1.26	0	3	4	CCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
349535161	ZINC000594968545	ref	5.65	-47.28	1	282.34	2.835	2	4	8	CC[C@H](C)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-]
349535164	ZINC000594968545	high	6.56	-61.46	0	282.34	2.835	1	4	8	CC[C@H](C)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-]
349535168	ZINC000594969378	ref	6.99	-51.81	1	289.331	2.894	1	4	7	C=CCC[NH2+]Cc1ccc(OC)c2oc(C(=O)OC)cc12
349535172	ZINC000594968870	ref	4.8	-60.17	1	292.404	2.607	1	3	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3cnccc3o2)C1
349535177	ZINC000594968870	high	3.62	-16.73	0	292.404	2.607	1	4	4	C[S@](=O)[C@H]1CCC[C@@H](NCc2cc3cnccc3o2)C1
192037819	ZINC000418462199	ref	-1.55	-48.48	1	231.34	0.574	4	2	6	CCC([NH3+])(CC)CNC(=O)NCC(C)(C)O
349535180	ZINC000594969631	ref	7.38	-58.91	1	257.362	2.656	1	3	5	Cc1ccncc1CC[NH2+]Cc1ccc(C#N)s1
192037822	ZINC000418465735	ref	3.55	-49.77	1	227.352	1.554	2	1	4	CC[C@@H]1CC[C@@H](C)N1C(=O)NC[C@H](C)C[NH3+]
192037824	ZINC000418465392	ref	4.75	-50.56	1	241.379	1.801	2	1	4	C[C@H]1CCCC[C@@H]1N(C)C(=O)NC[C@H](C)C[NH3+]
192037826	ZINC000418462407	ref	5.37	-56.99	1	241.379	1.945	2	1	6	CCCCN(CC)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+]
349535184	ZINC000594969631	high	6.0	-7.68	0	257.362	2.656	1	4	5	Cc1ccncc1CCNCc1ccc(C#N)s1
398245606	ZINC000390759450	ref	1.37	-50.39	1	247.364	-0.276	1	2	2	CN(C)S(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2CC1
398245608	ZINC000390767140	ref	4.42	-40.99	1	228.361	0.95	1	2	1	CC1(C)C[NH2+][C@H]1C(=O)N1CCCSCC1
178303502	ZINC000020083401	ref	1.88	-57.07	1	247.302	0.482	2	4	4	Cc1cc2ncc([C@@H](C)[NH2+]CC(N)=O)c(C)n2n1
365638071	ZINC000354711235	ref	4.09	-21.03	0	289.36	1.705	1	4	4	C[C@@H](NC(=O)c1cncnc1)c1ccc([S@@](C)=O)cc1
178303505	ZINC000020083401	mid	0.72	-16.88	0	247.302	0.482	2	5	4	Cc1cc2ncc([C@@H](C)NCC(N)=O)c(C)n2n1
365638079	ZINC000354711222	ref	3.63	-8.68	0	254.374	1.117	1	3	6	C[C@H](CNC(=O)C[C@@H]1C[C@H]1C)CN1CCOCC1
365638090	ZINC000354711222	mid	5.84	-43.16	1	254.374	1.117	2	2	6	C[C@H](CNC(=O)C[C@@H]1C[C@H]1C)C[NH+]1CCOCC1
398245607	ZINC000417630296	ref	3.3	-51.67	1	239.363	1.602	3	1	5	C[C@H](CC1CC1)NC(=O)N[C@H]1CCC[C@@H]1C[NH3+]
398245610	ZINC000457171764	ref	6.81	-11.34	0	248.37	2.875	1	2	7	CCCC[C@@H](C)C(=O)NCCc1ccc(C)cn1
398245611	ZINC000228612455	ref	7.4	-37.65	0	236.315	2.075	1	3	6	CC[C@@H](C)[N@H+](CC(=O)[O-])Cc1cncc(C)c1
185089148	ZINC000096075198	low	6.59	-96.41	2	275.396	2.15	2	2	3	COc1ncccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1
398245612	ZINC000228612455	mid	7.75	-34.89	0	236.315	2.075	1	3	6	CC[C@@H](C)[N@@H+](CC(=O)[O-])Cc1cncc(C)c1
230732134	ZINC000414312960	ref	6.93	-44.41	1	321.367	3.4	2	2	7	COc1ccc([C@@H](C)[NH2+]C[C@H](CO)c2ccc(F)cc2)c(F)c1
398245613	ZINC000417630152	ref	3.47	-87.68	2	242.367	0.235	4	1	8	C[NH2+]C[C@H](C)CNC(=O)NCC[N@H+](C)C1CC1
230732136	ZINC000414312960	high	5.33	-7.36	0	321.367	3.4	2	3	7	COc1ccc([C@@H](C)NC[C@H](CO)c2ccc(F)cc2)c(F)c1
178303531	ZINC000020281745	ref	4.6	-6.44	0	212.05	1.8	0	3	0	Cc1cc2ncc(Br)cn2n1
178303538	ZINC000100491637	ref	4.31	-119.38	-2	239.256	0.406	1	5	2	Cc1cc2[n-]c(=S)n(CC(=O)[O-])c(=O)c2[nH]1
365638101	ZINC000354710816	ref	-0.52	-12.16	0	281.341	1.249	2	6	5	COc1nn(C)cc1NC(=O)NCCc1nccs1
192037827	ZINC000273079771	ref	0.71	-8.98	0	269.251	1.479	2	5	5	Cc1noc(CN[C@H](CO)c2c(F)cccc2F)n1
192037829	ZINC000273080191	ref	4.91	-12.87	0	291.326	1.677	1	3	5	O=C(NCCCC(=O)N1CCC=C(F)C1)c1cccnc1
178303541	ZINC000100491637	mid	4.78	-59.47	-1	239.256	0.406	2	5	2	Cc1cc2[nH]c(=S)n(CC(=O)[O-])c(=O)c2[nH]1
365638109	ZINC000354711214	ref	6.86	-16.31	0	267.398	1.841	1	4	6	Cc1nccn1CCCCNC(=O)[C@@H]1CCSC1
365638117	ZINC000354711214	mid	7.33	-37.9	1	267.398	1.841	1	3	6	Cc1[nH+]ccn1CCCCNC(=O)[C@@H]1CCSC1
178303543	ZINC000001754422	ref	4.43	-11.17	0	248.351	2.639	1	4	3	Cc1cc2nc(SCCO)nc(C)c2cc1C
365638123	ZINC000354711441	ref	4.66	-41.06	1	276.789	1.709	2	3	7	C[NH+](C)CCOCCNC(=O)c1sccc1Cl
398245614	ZINC000417630152	mid	3.48	-87.96	2	242.367	0.235	4	1	8	C[NH2+]C[C@H](C)CNC(=O)NCC[N@@H+](C)C1CC1
342596612	ZINC000590794841	ref	5.47	-8.22	0	272.414	1.98	0	2	3	C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1C1CC1
342596613	ZINC000590794950	ref	5.85	-14.21	0	271.386	1.65	0	4	5	CCCCS(=O)(=O)N1CCC[C@H](n2ccnc2)C1
342596614	ZINC000590794950	low	6.55	-43.2	1	271.386	1.65	0	3	5	CCCCS(=O)(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342596615	ZINC000590794401	ref	5.41	-8.35	0	272.414	1.836	0	2	5	C[C@H](C1CC1)N(C)S(=O)(=O)N1CCC[C@H]1C1CC1
342596616	ZINC000616973268	ref	1.96	-17.26	0	288.347	1.281	3	3	5	O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N[C@H]1CCNC1=O
342596617	ZINC000616979388	ref	3.29	-11.88	0	283.372	1.402	2	3	7	CC[C@H](C)N(CC)C(=O)CCC[C@]1(C)NC(=O)NC1=O
192037830	ZINC000418431288	ref	4.87	-37.89	1	241.379	1.944	2	1	7	CCCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C1CC1
342596618	ZINC000590794949	ref	5.89	-13.27	0	271.386	1.65	0	4	5	CCCCS(=O)(=O)N1CCC[C@@H](n2ccnc2)C1
197594275	ZINC000290095758	ref	2.63	-11.82	0	267.325	2.651	2	4	4	COC(=O)Nc1cccc(OC[C@H](O)C(C)(C)C)c1
365638072	ZINC000576605721	ref	8.55	-43.04	1	247.382	3.052	1	1	8	COC[C@@H](C)C[NH2+]C[C@@H](c1ccccc1)C1CC1
192037832	ZINC000418464172	ref	2.83	-44.39	1	245.367	0.788	3	2	8	CCC[NH2+]CCNC(=O)N(CC)CC(C)(C)O
192037834	ZINC000418461957	ref	4.01	-88.52	2	242.367	0.317	3	1	7	C[C@@H](C[NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1
365638084	ZINC000175979441	ref	6.82	-42.26	1	224.348	1.729	1	1	3	CCC1(C(=O)N2CC[C@H]([NH+](C)C)C2)CCC1
365638091	ZINC000175979441	high	4.42	-8.35	0	224.348	1.729	0	2	3	CCC1(C(=O)N2CC[C@H](N(C)C)C2)CCC1
214187290	ZINC000278487715	ref	8.05	-12.74	0	319.317	2.907	1	7	5	COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1c(C)noc1C
214187293	ZINC000278487551	ref	5.85	-17.88	0	314.385	2.477	2	3	8	COc1ccc(CCCNC(=O)CCc2ccc(=O)[nH]c2)cc1
192037836	ZINC000418461957	mid	1.71	-51.07	1	242.367	0.317	3	1	7	C[C@@H](C[NH3+])CNC(=O)N(C)CC[N@@H+](C)C1CC1
342596619	ZINC000590794949	low	6.6	-38.51	1	271.386	1.65	0	3	5	CCCCS(=O)(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
214187296	ZINC000278487232	ref	9.32	-14.54	0	322.836	2.993	1	2	6	CC(=O)N[C@H](CC1CCC1)C(=O)N(C)Cc1cccc(Cl)c1
342596620	ZINC000616973274	ref	2.06	-15.59	0	264.247	1.114	2	2	2	O=C1NCC[C@@H]1NC(=O)C1(C(F)(F)F)CCCC1
349535162	ZINC000258921435	ref	6.05	-8.39	0	228.255	1.904	1	5	4	Cc1ccc(CCNc2cc(C#N)ncn2)o1
192037839	ZINC000418461957	high	1.71	-51.07	1	242.367	0.317	2	2	7	C[C@@H](C[NH3+])CNC(=O)N(C)CCN(C)C1CC1
342596621	ZINC000590795778	ref	3.26	-13.06	0	299.392	1.42	0	4	5	COCCS(=O)(=O)N1CCCc2cc(OC)ccc2C1
365638099	ZINC000576599548	ref	9.85	-39.99	1	229.367	3.46	1	0	4	Cc1ccccc1CC[NH2+][C@H]1CCCC12CC2
342080149	ZINC000625317176	high	5.96	-10.62	0	288.395	1.061	0	4	1	Cc1cn2c(n1)C[C@@H](C(=O)N1CCN3CCC[C@H]3C1)CC2
342080150	ZINC000625317486	ref	6.22	-37.11	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)C1
342080151	ZINC000625317486	mid	7.2	-34.88	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)C1
342080152	ZINC000625317976	ref	1.8	-43.93	1	299.798	1.629	4	3	7	OC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
342080153	ZINC000625317976	high	0.61	-6.39	0	299.798	1.629	4	4	7	OC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
365638074	ZINC000336554260	ref	1.69	-9.59	0	272.348	2.383	1	4	3	Cc1nc(CN2CCc3ccccc3[C@H]2CO)oc1C
282123024	ZINC000363652318	high	3.19	-48.59	1	275.352	0.562	1	3	3	CN(C)C[C@@H]1CN(C(=O)C2C[NH2+]C2)c2ccccc2O1
192037831	ZINC000273079850	ref	4.33	-8.56	0	287.306	1.929	2	4	5	CC(C)(C)OC(=O)CN[C@H](CO)c1c(F)cccc1F
192037833	ZINC000273080218	ref	4.28	-17.63	0	273.336	1.14	1	3	3	CNC(=O)[C@@H]1CCCN1C(=O)/C=C/c1cnccc1C
365638086	ZINC000336554260	low	4.14	-35.58	1	272.348	2.383	2	3	3	Cc1nc(C[N@@H+]2CCc3ccccc3[C@H]2CO)oc1C
192037835	ZINC000273080166	ref	3.14	-8.23	0	277.368	1.227	1	4	5	C[C@H](NC(=O)[C@H](C)CN1CCOCC1)c1ccccn1
342080154	ZINC000625317138	ref	4.68	-41.49	1	260.337	1.621	2	2	1	Cc1cccc(O)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1
342080155	ZINC000625317138	mid	5.21	-38.13	1	260.337	1.621	2	2	1	Cc1cccc(O)c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1
192037837	ZINC000273080166	mid	5.03	-38.15	1	277.368	1.227	2	3	5	C[C@H](NC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccccn1
349535165	ZINC000093261605	ref	1.19	-41.72	1	293.367	0.795	3	4	6	CC[C@H](O)C[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1
192037838	ZINC000273079983	ref	7.01	-9.45	0	252.289	2.31	0	3	3	Cc1noc(C)c1CCC(=O)N1CCC=C(F)C1
192037840	ZINC000273079784	ref	4.65	-46.88	1	286.335	0.342	2	4	3	Cc1ccn2c(=O)c(C(=O)NC[C@H]3CC[NH2+]C3)cnc2c1
365638094	ZINC000336554260	low	3.67	-36.75	1	272.348	2.383	2	3	3	Cc1nc(C[N@H+]2CCc3ccccc3[C@H]2CO)oc1C
365638102	ZINC000336554792	ref	9.12	-86.67	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1
282123025	ZINC000188465869	ref	6.34	-39.51	1	326.437	1.099	1	4	4	C[NH+](C)C[C@@H]1CN(C(=O)CC2CCC3(CC2)OCCO3)CCO1
365638110	ZINC000336554792	mid	9.05	-88.12	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1
342080156	ZINC000625317138	high	5.46	-64.73	0	260.337	1.621	1	2	1	Cc1cccc([O-])c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1
343994054	ZINC000625559367	ref	1.68	-10.1	0	233.333	1.051	1	3	6	C/C=C\CNS(=O)(=O)CC[C@@H]1CCCO1
349535167	ZINC000602430626	ref	4.97	-5.78	0	231.336	1.686	0	4	9	CCC[C@H](CN(CCC)CC(=O)OC)OC
192037841	ZINC000418429052	ref	0.31	-47.46	1	231.34	0.526	3	2	5	CCN(CC(C)(C)O)C(=O)NCC(C)(C)[NH3+]
349535169	ZINC000602430626	mid	7.18	-33.16	1	231.336	1.686	1	3	9	CCC[C@H](C[N@H+](CCC)CC(=O)OC)OC
192037843	ZINC000418464168	ref	1.93	-52.33	1	241.335	0.544	2	2	3	C[C@H](C[NH3+])CNC(=O)N1CCO[C@@H]2CCC[C@@H]21
349535173	ZINC000602430626	mid	6.94	-36.02	1	231.336	1.686	1	3	9	CCC[C@H](C[N@@H+](CCC)CC(=O)OC)OC
136229323	ZINC000195244586	ref	3.46	-12.1	0	249.31	2.942	2	3	5	C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)c(O)c1
192037844	ZINC000418465736	ref	3.53	-49.77	1	227.352	1.554	2	1	4	CC[C@@H]1CC[C@@H](C)N1C(=O)NC[C@@H](C)C[NH3+]
192037847	ZINC000418430452	ref	0.43	-35.67	1	245.367	0.818	4	2	7	CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H](C)C[C@@H](C)O
192037849	ZINC000418430719	ref	4.6	-39.98	1	239.363	1.72	2	1	7	C=CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C1CC1
192037851	ZINC000418465101	ref	3.89	-52.89	1	239.363	1.555	2	1	3	CC[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])C1
192037853	ZINC000418430764	ref	2.09	-39.41	1	243.351	0.79	2	2	5	CO[C@H]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C1
192037855	ZINC000418461596	ref	4.1	-50.54	1	227.352	1.555	2	1	7	CCCCN(C(=O)NC[C@H](C)C[NH3+])C1CC1
282123026	ZINC000188465869	high	3.89	-9.8	0	326.437	1.099	0	5	4	CN(C)C[C@@H]1CN(C(=O)CC2CCC3(CC2)OCCO3)CCO1
192037858	ZINC000418465726	ref	4.44	-50.29	1	239.363	1.555	2	1	6	C[C@H](C[NH3+])CNC(=O)N(CC1CC1)C1CCC1
349535178	ZINC000258914795	ref	8.36	-5.78	0	216.288	1.975	0	4	3	CN(CC1CCCC1)c1cc(C#N)ncn1
192037860	ZINC000418463743	ref	-1.22	-50.22	1	229.324	0.208	4	2	7	C/C=C/C[C@H](CO)NC(=O)NC[C@@H](C)C[NH3+]
192037863	ZINC000418462813	ref	2.76	-51.9	1	231.365	0.728	2	2	4	C[C@H](C[NH3+])CNC(=O)N(C)[C@H]1CCSC1
342080157	ZINC000625317138	high	5.97	-56.46	0	260.337	1.621	1	2	1	Cc1cccc([O-])c1C(=O)N1CC[N@H+]2CCC[C@@H]2C1
192037865	ZINC000418464108	ref	3.51	-50.76	1	227.352	1.411	2	1	3	C[C@H]1CC[C@@H](C)CN1C(=O)NC[C@H](C)C[NH3+]
192037867	ZINC000418464250	ref	2.07	-46.61	1	242.367	0.332	3	1	6	CCC[NH2+]CCNC(=O)N1CC[C@@H]([NH+](C)C)C1
192037869	ZINC000418464250	high	2.07	-46.61	1	242.367	0.332	2	2	6	CCC[NH2+]CCNC(=O)N1CC[C@@H](N(C)C)C1
342080158	ZINC000625317266	ref	1.4	-9.31	0	253.302	1.5	2	5	5	OC[C@@H](NCc1cnns1)c1cccc(F)c1
342080159	ZINC000625317266	low	2.49	-53.86	1	253.302	1.5	2	4	5	OC[C@@H]([NH2+]Cc1cnns1)c1cccc(F)c1
342080160	ZINC000046616918	ref	4.93	-11.47	0	282.347	1.875	1	4	3	O=C(NC1CCN(c2ccccn2)CC1)c1ccccn1
365638081	ZINC000123466486	high	6.85	-11.55	0	271.364	2.376	0	4	2	Cc1cccn2c(=O)cc(CN3[C@@H](C)CC[C@@H]3C)nc12
178303511	ZINC000237237838	ref	2.35	-48.24	1	366.437	1.425	3	4	9	C[NH2+]CCCC(=O)Nc1ccc(F)c(NC(=O)CCN2CCOCC2)c1
365638089	ZINC000123472044	ref	5.78	-12.29	0	279.384	2.086	0	4	5	CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cnn(C)c1
178303517	ZINC000237237838	mid	4.76	-94.01	2	366.437	1.425	4	3	9	C[NH2+]CCCC(=O)Nc1ccc(F)c(NC(=O)CC[NH+]2CCOCC2)c1
178303519	ZINC000237238822	ref	7.67	-53.86	1	360.437	1.362	1	5	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)C1
365638108	ZINC000123486969	ref	5.68	-8.23	0	251.351	2.059	0	3	1	O=C(C1CCOCC1)N1CCc2ccsc2C1
178303524	ZINC000237230904	ref	4.94	-43.2	1	358.53	1.999	2	3	6	CN1CCN([C@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
365638125	ZINC000123571816	ref	4.42	-10.09	0	276.38	2.477	1	3	4	CCC[C@@H](C)C(=O)N1CCN(c2cccc(O)c2)CC1
230732149	ZINC000425468335	ref	5.8	-14.04	0	317.433	2.223	3	2	8	CC1CC(NC(=O)NCCNC(=O)CCCc2ccccc2)C1
365638141	ZINC000123430379	ref	5.52	-34.88	1	290.407	2.211	1	3	4	C[C@H](C[NH2+][C@H]1CCCOc2ccccc21)N1CCOCC1
365638157	ZINC000123430379	high	4.27	-3.77	0	290.407	2.211	1	4	4	C[C@H](CN[C@H]1CCCOc2ccccc21)N1CCOCC1
365638165	ZINC000123549166	ref	6.4	-27.86	0	265.334	2.309	0	4	6	COc1cc(C(C)=O)ccc1[S@](=O)CCCC#N
365638181	ZINC000123559838	ref	6.53	-8.28	0	279.38	2.372	1	3	6	C#CCCCCC(=O)NC[C@H]1COC2(CCCCC2)O1
282123027	ZINC000172306463	ref	6.1	-39.1	1	266.341	1.001	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccco2)CCO1
178303527	ZINC000237230904	mid	7.3	-96.07	2	358.53	1.999	3	2	6	C[NH+]1CCN([C@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
192037842	ZINC000273079940	ref	6.29	-8.86	0	288.391	2.869	1	3	6	Cc1ccncc1/C=C/C(=O)NCCOC1CCCCC1
282123028	ZINC000172306463	high	3.66	-8.94	0	266.341	1.001	0	4	5	CN(C)C[C@@H]1CN(C(=O)CCc2ccco2)CCO1
178305334	ZINC000019423827	ref	6.75	-18.35	0	219.313	1.939	1	3	2	Cc1cc2ncn(CC(N)=S)c2cc1C
282123029	ZINC000116794940	ref	8.6	-38.57	1	344.377	2.512	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCO1
282123030	ZINC000116794940	high	6.11	-7.97	0	344.377	2.512	0	3	5	CN(C)C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)CCO1
365638193	ZINC000123516381	ref	6.51	-9.2	0	291.395	2.451	0	4	5	CCC1(CC)[C@@H](N(C)C(=O)c2cnc(C)cn2)C[C@H]1OC
342080161	ZINC000046616918	low	5.06	-35.02	1	282.347	1.875	1	3	3	O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccccn1
214187295	ZINC000293605511	ref	1.02	-25.53	0	371.34	0.615	2	5	7	COC[C@H]1CCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F
214187301	ZINC000293610157	ref	3.63	-49.21	1	353.444	0.834	3	4	8	CC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)CC1
214187304	ZINC000293610157	mid	1.15	-12.42	0	353.444	0.834	2	5	8	CC(=O)C1(C(=O)Nc2cccc(S(=O)(=O)NCCN(C)C)c2)CC1
214187307	ZINC000293608228	ref	6.14	-15.53	0	351.309	0.995	1	5	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1
214187311	ZINC000293615042	ref	3.31	-14.68	0	366.365	0.91	0	5	3	Cc1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)nc(C(F)(F)F)n1
365638093	ZINC000641602135	mid	2.56	-10.62	0	288.457	1.969	1	3	5	CC1(CS(=O)(=O)NC[C@H]2CCN2C(C)(C)C)CCC1
365638100	ZINC000641605075	ref	0.06	-8.3	0	273.292	1.723	0	6	3	COc1ccc(-c2nnc(N3CCO[C@@H]4C[C@@H]43)o2)cc1
214187314	ZINC000293612903	ref	4.85	-18.11	0	366.439	0.651	0	5	3	CN(C(=O)[C@]1(C)Cc2ccccc2C(=O)O1)[C@H]1CCN(S(C)(=O)=O)C1
214187317	ZINC000293604232	ref	1.94	-15.35	0	370.413	0.524	3	8	7	Cc1c(C(=O)N[C@@H](CO)C[C@@H](O)c2ccccc2)nnn1-c1ccn(C)n1
365638111	ZINC000641602114	ref	2.3	-13.78	0	284.315	1.043	2	4	1	Cc1cccc2c(O)c(C(=O)N3C[C@H]4C[C@@]4(O)C3)cnc12
214187321	ZINC000293601190	ref	2.83	-52.04	1	371.503	0.337	4	4	9	Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[C@H](C)O)cc1
214187327	ZINC000293612156	ref	1.92	-18.85	0	369.385	0.861	2	8	6	Cc1nc(-c2cccc(NC(=O)C(=O)NCCCc3cnn(C)n3)c2)no1
349535171	ZINC000093261605	high	-1.06	-8.92	0	293.367	0.795	2	5	6	CC[C@H](O)CN1CCC(Oc2ccnc(C(N)=O)c2)CC1
365638118	ZINC000641602114	low	3.74	-28.28	0	284.315	1.043	2	3	1	Cc1cccc2c(=O)c(C(=O)N3C[C@H]4C[C@@]4(O)C3)c[nH]c12
365638122	ZINC000641602114	high	3.4	-48.35	-1	284.315	1.043	1	3	1	Cc1cccc2c(=O)c(C(=O)N3C[C@H]4C[C@@]4(O)C3)c[n-]c12
197594279	ZINC000162820661	ref	10.9	-5.23	0	301.821	5.049	1	3	3	CC(C)(C)c1ccc(Nc2cc(Cl)nc(C3CC3)n2)cc1
365638128	ZINC000641602155	ref	5.21	-10.44	0	263.312	1.913	1	2	3	C[C@H](CC(=O)N1C[C@@H]2C[C@]2(O)C1)c1cccc(F)c1
342080162	ZINC000625317593	ref	4.02	-43.57	1	278.396	1.78	3	2	6	Cc1ccccc1[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C
342080163	ZINC000625317593	mid	2.8	-11.07	0	278.396	1.78	3	3	6	Cc1ccccc1[C@H](CO)NCC(=O)NCC(C)(C)C
365638096	ZINC000623070904	ref	4.49	-48.0	1	303.362	1.484	2	3	2	CC(=O)c1cccc(NC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c1
365638104	ZINC000623070904	mid	3.2	-11.53	0	303.362	1.484	2	4	2	CC(=O)c1cccc(NC(=O)N2CC[C@H]3OCCN[C@H]3C2)c1
398245609	ZINC000390767140	high	2.89	-8.52	0	228.361	0.95	1	3	1	CC1(C)CN[C@H]1C(=O)N1CCCSCC1
342080164	ZINC000625317573	ref	4.23	-13.22	0	294.273	1.23	1	3	6	C[C@@H](CC(=O)NCCCN1C(=O)CCC1=O)C(F)(F)F
342080165	ZINC000625308941	ref	5.64	-40.03	1	256.39	1.65	2	2	4	CO[C@H]1CCC[N@H+](CC(=O)NCC(C)(C)C)CC1
342080166	ZINC000625308941	mid	5.64	-39.53	1	256.39	1.65	2	2	4	CO[C@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)CC1
365638115	ZINC000623070178	ref	4.56	-51.87	1	303.362	1.484	2	3	2	CC(=O)c1ccc(NC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)cc1
365638121	ZINC000623070178	mid	3.18	-17.48	0	303.362	1.484	2	4	2	CC(=O)c1ccc(NC(=O)N2CC[C@H]3OCCN[C@@H]3C2)cc1
168364875	ZINC000020471809	ref	7.64	-2.73	0	209.308	3.982	1	1	5	CCC(CC)CNc1cc(C)ccc1F
365638129	ZINC000623070730	ref	2.61	-47.4	1	321.377	1.298	2	4	3	COc1cc(NC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cc(OC)c1
398249322	ZINC000651462441	mid	5.79	-52.13	1	278.302	3.292	1	2	4	CCc1ncc(C[NH2+][C@H]2CCc3c(F)cc(F)cc32)o1
365638134	ZINC000623070730	mid	1.32	-12.23	0	321.377	1.298	2	5	3	COc1cc(NC(=O)N2CC[C@H]3OCCN[C@H]3C2)cc(OC)c1
365638143	ZINC000623070471	ref	3.73	-55.96	1	318.356	1.745	2	4	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)nn1
365638151	ZINC000623070471	high	3.33	-18.46	0	318.356	1.745	2	5	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)nn1
230732182	ZINC000450419783	ref	5.43	-14.46	0	314.389	1.395	2	5	5	CC[C@H](CO)NC(=O)[C@H]1CCc2nnc(-c3ccccc3)n2C1
365638163	ZINC000623069549	ref	1.18	-51.61	1	301.749	1.797	3	2	2	[NH3+]C1(CO)CCN(C(=O)Nc2ccc(F)c(Cl)c2)CC1
365638172	ZINC000623070587	ref	3.58	-4.05	0	322.203	1.679	1	4	1	C[C@@]1(F)CNCCN(C(=O)c2ncc(Br)s2)C1
365638175	ZINC000623070587	mid	4.85	-39.67	1	322.203	1.679	1	3	1	C[C@@]1(F)C[NH2+]CCN(C(=O)c2ncc(Br)s2)C1
365638183	ZINC000623070470	ref	3.72	-57.66	1	318.356	1.745	2	4	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)nn1
365638189	ZINC000623070470	high	3.31	-18.3	0	318.356	1.745	2	5	3	NCc1cn([C@H]2CCCN(C(=O)Nc3ccc(F)cc3)C2)nn1
365638197	ZINC000623070847	ref	5.24	-57.92	1	322.434	1.616	2	4	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@@H]2OCC[NH2+][C@H]2C1
299072264	ZINC000358087188	ref	3.07	-11.72	0	302.363	1.424	2	6	4	Cn1nnc(CNC(=O)NCc2ccc3sccc3c2)n1
282123031	ZINC000332234877	ref	6.4	-42.21	1	337.42	-0.049	1	4	4	C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCO1
282123032	ZINC000332234877	high	3.94	-13.29	0	337.42	-0.049	0	5	4	CN(C)C[C@@H]1CN(C(=O)CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)CCO1
342080167	ZINC000625308941	mid	3.24	-6.5	0	256.39	1.65	1	3	4	CO[C@H]1CCCN(CC(=O)NCC(C)(C)C)CC1
192037850	ZINC000273079837	ref	4.91	-44.92	1	258.321	2.081	2	2	3	Cc1c(C(=O)NC[C@H]2CC[NH2+]C2)oc2ccccc12
342080168	ZINC000608868285	ref	8.05	-26.89	0	299.29	1.922	1	6	4	Cn1ccc2c(NC(=O)Cn3ccc([N+](=O)[O-])n3)cccc21
282123033	ZINC000335714157	ref	6.32	-40.68	1	272.414	0.919	1	3	3	C[NH+](C)C[C@@H]1CN(C(=O)C2CCSCC2)CCO1
178303528	ZINC000237239768	ref	8.8	-66.94	-1	357.41	1.732	0	6	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1
185089155	ZINC000096076213	ref	7.16	-34.03	1	292.383	0.605	1	4	1	Cn1ccnc1C(=O)N1CCC[C@@]2(COCC[N@H+](C)C2)C1
365638103	ZINC000274365888	mid	2.92	-46.71	1	296.321	1.634	3	4	7	CC[N@@H+](CCO)CCNc1cnc2cc(F)c(F)cc2n1
197594289	ZINC000290094890	ref	8.13	-26.95	0	284.315	2.179	1	4	4	Cn1cccc(NC(=O)c2ccccc2OC2CC2)c1=O
192037852	ZINC000273079904	ref	4.35	-10.71	0	296.386	2.094	2	3	7	CC(C)N(C(=O)CN[C@@H](CO)c1ccc(F)cc1)C(C)C
178303533	ZINC000237224629	ref	7.75	-51.38	1	366.512	1.447	1	6	6	C[NH2+]C[C@@H]1CCCN(C(=O)CSCc2cc(=O)n3ccsc3n2)C1
178303537	ZINC000237227421	ref	7.81	-52.46	-1	369.215	1.735	0	4	5	CN(CCC(=O)[O-])C(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1
178303540	ZINC000237241819	ref	7.01	-55.5	1	357.458	1.916	1	5	7	COc1ccc(CCCN(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1
178303545	ZINC000237227659	ref	2.2	-53.89	1	363.277	1.96	1	3	4	COc1cc(S(=O)(=O)N2CCCC[C@H]2C[NH3+])ccc1Br
185089157	ZINC000096076213	mid	7.12	-37.56	1	292.383	0.605	1	4	1	Cn1ccnc1C(=O)N1CCC[C@@]2(COCC[N@@H+](C)C2)C1
185089159	ZINC000096076213	high	5.25	-9.58	0	292.383	0.605	0	5	1	CN1CCOC[C@@]2(CCCN(C(=O)c3nccn3C)C2)C1
342080169	ZINC000032314329	ref	4.18	-12.67	0	284.366	1.315	0	5	4	CON(C)C(=O)CN1C(=S)N=NC1c1cccs1
342080170	ZINC000625310756	ref	6.78	-42.59	1	276.327	1.353	1	2	5	C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)COCC(F)F
342080171	ZINC000625310756	mid	7.5	-42.7	1	276.327	1.353	1	2	5	C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)COCC(F)F
398245615	ZINC000417630152	high	1.18	-46.07	1	242.367	0.235	3	2	8	C[NH2+]C[C@H](C)CNC(=O)NCCN(C)C1CC1
282123034	ZINC000335714157	high	3.87	-8.93	0	272.414	0.919	0	4	3	CN(C)C[C@@H]1CN(C(=O)C2CCSCC2)CCO1
192037854	ZINC000273079904	mid	5.44	-47.21	1	296.386	2.094	2	2	7	CC(C)N(C(=O)C[NH2+][C@@H](CO)c1ccc(F)cc1)C(C)C
192037856	ZINC000273080201	ref	7.58	-12.06	0	258.325	1.796	1	4	4	C[C@H](NC(=O)[C@H](C)c1ccccc1)c1nncn1C
192037857	ZINC000273080289	ref	7.53	-43.18	1	274.408	2.565	1	2	5	C[C@H]([NH2+]CN1CCC(=O)CC1)C(C)(C)c1ccccc1
230732175	ZINC000425468036	ref	4.7	-8.85	0	311.407	2.48	2	5	6	CCC1(CNC(=O)N[C@@H](C)c2ncc(C(=O)OC)s2)CC1
192037859	ZINC000273080289	high	6.88	-4.76	0	274.408	2.565	1	3	5	C[C@H](NCN1CCC(=O)CC1)C(C)(C)c1ccccc1
342080172	ZINC000625310756	high	4.34	-19.11	0	276.327	1.353	0	3	5	CN1CCC[C@@H]1[C@H]1CCCN1C(=O)COCC(F)F
342080173	ZINC000625310385	ref	7.02	-13.14	0	292.383	1.765	0	6	4	C[C@@H]1CC[C@H](c2nnc(N3CCOCC3)n2CC2CC2)O1
192037864	ZINC000273080298	ref	6.2	-38.77	1	275.348	2.463	1	3	4	C[C@]1([NH2+]Cc2cccc3c2OCO3)CCO[C@H]1C1CC1
136229324	ZINC000195243669	ref	1.69	-17.12	0	225.248	-0.585	1	5	4	O=C(NCCn1cccn1)[C@H]1COCCO1
192037866	ZINC000273080298	high	5.31	-7.49	0	275.348	2.463	1	4	4	C[C@]1(NCc2cccc3c2OCO3)CCO[C@H]1C1CC1
365638106	ZINC000274365888	high	0.81	-6.61	0	296.321	1.634	2	5	7	CCN(CCO)CCNc1cnc2cc(F)c(F)cc2n1
192037868	ZINC000273080085	ref	6.25	-9.97	0	291.351	2.176	1	5	5	Cc1ccc([C@H](C)NCN2CCC(=O)CC2)cc1[N+](=O)[O-]
192037870	ZINC000273080085	mid	7.32	-61.74	1	291.351	2.176	1	4	5	Cc1ccc([C@H](C)[NH2+]CN2CCC(=O)CC2)cc1[N+](=O)[O-]
192037873	ZINC000273080142	ref	6.65	-7.77	0	286.4	3.449	1	4	4	O=C1CCN(CNc2cccc(-c3cccs3)c2)CC1
168364877	ZINC000368496221	mid	8.39	-47.05	1	347.418	3.308	1	4	6	c1ccc(-c2noc([C@@H]([NH2+]C[C@H]3[C@@H]4COC[C@H]34)c3ccccc3)n2)cc1
192037874	ZINC000273080203	ref	5.74	-7.51	0	281.787	2.44	1	4	4	CN(C)c1ccc(NCN2CCC(=O)CC2)cc1Cl
349536153	ZINC000258973197	mid	7.84	-8.93	0	236.318	3.233	1	2	4	N#CC1(CNCc2cccc3ccccc23)CC1
365638112	ZINC000274364488	ref	4.79	-25.66	0	290.302	1.777	2	5	2	Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1cccc(F)n1
365639333	ZINC000354712382	ref	1.6	-13.37	0	289.339	1.576	2	5	5	COc1nn(C)cc1NC(=O)N[C@H](C)Cc1ccncc1
259308395	ZINC000089164719	ref	6.69	-37.82	1	247.382	3.061	2	1	5	CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1
365638113	ZINC000336554792	high	6.72	-37.4	1	266.429	2.077	1	2	3	CN1CCC([C@@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1
365638120	ZINC000336554792	high	6.68	-37.69	1	266.429	2.077	1	2	3	CN1CCC([C@@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1
365638124	ZINC000336555078	ref	5.93	-38.84	1	265.426	2.368	1	3	2	Cc1ncc(CN2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1
342080174	ZINC000623714653	ref	2.61	-16.23	0	293.358	1.883	3	2	8	CCC(F)(F)C(C)(C)CNC(=O)NCCCC(=O)NC
342080175	ZINC000625309692	ref	0.41	-8.93	0	294.742	2.0	0	6	3	Cc1nc([C@H]2COCCN2Cc2ncccc2Cl)no1
342080176	ZINC000625317602	ref	4.01	-43.39	1	278.396	1.78	3	2	6	Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C
365638132	ZINC000336555078	mid	6.68	-37.05	1	265.426	2.368	1	3	2	Cc1ncc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1
365638135	ZINC000336555078	mid	8.06	-101.39	2	265.426	2.368	2	2	2	Cc1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1
214187298	ZINC000278487150	ref	5.22	-56.68	1	312.391	1.332	3	5	7	O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[NH2+]C[C@@H]2CCSC2)cc1
342080177	ZINC000625317602	mid	3.0	-11.18	0	278.396	1.78	3	3	6	Cc1ccccc1[C@@H](CO)NCC(=O)NCC(C)(C)C
365638140	ZINC000336555078	mid	8.3	-102.57	2	265.426	2.368	2	2	2	Cc1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1
342080178	ZINC000625310740	ref	7.61	-40.82	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c(C)n1
342080179	ZINC000625310740	mid	7.12	-42.46	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)c(C)n1
342080180	ZINC000625310740	high	5.31	-11.6	0	290.411	1.91	0	4	3	CCn1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c(C)n1
365638146	ZINC000336555078	mid	8.06	-101.39	2	265.426	2.368	2	2	2	Cc1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1
342080181	ZINC000046616948	ref	4.87	-12.87	0	282.347	1.875	1	4	3	O=C(NC1CCN(c2ccccn2)CC1)c1ccncc1
342080182	ZINC000046616948	low	4.99	-38.12	1	282.347	1.875	1	3	3	O=C(NC1CCN(c2cccc[nH+]2)CC1)c1ccncc1
342080183	ZINC000625317179	ref	7.83	-46.95	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2
365638149	ZINC000336555078	mid	8.3	-101.95	2	265.426	2.368	2	2	2	Cc1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1
342080184	ZINC000625317179	mid	8.27	-46.01	1	288.395	1.061	1	3	1	Cc1cn2c(n1)C[C@H](C(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2
349536156	ZINC000258951269	ref	5.6	-42.6	1	235.371	2.658	2	1	6	Cc1ccc(C)c(C[NH2+]C[C@@H](CO)C(C)C)c1
365638156	ZINC000336554483	ref	7.13	-8.87	0	291.439	2.494	0	3	2	Cn1ccc(CN2CCN(C(=O)C(C)(C)C)CC2(C)C)c1
342080185	ZINC000625317179	low	8.26	-85.8	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@@H+]3CCC[C@@H]3C1)CC2
259308397	ZINC000356844501	ref	3.56	-7.22	0	225.332	1.866	2	2	5	C=C[C@H](CO)NC(=O)C[C@@H]1CCC[C@H](C)C1
365638114	ZINC000175981088	ref	4.66	-9.67	0	247.342	2.522	2	2	4	CCC1(NC(=O)NCc2cccc(C)n2)CCC1
365638130	ZINC000576605255	ref	4.99	-10.76	0	249.339	2.127	1	5	4	OC1(CCSc2nccn3ccnc23)CCC1
282123035	ZINC000116977907	ref	2.95	-41.97	1	295.339	-0.202	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)CNC(=O)c2ccco2)CCO1
282123036	ZINC000116977907	high	0.5	-10.86	0	295.339	-0.202	1	5	5	CN(C)C[C@@H]1CN(C(=O)CNC(=O)c2ccco2)CCO1
197594292	ZINC000162817839	ref	7.36	-44.99	-1	313.401	2.783	1	3	4	CC[C@@H]1CCC[C@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1
282123037	ZINC000265321016	ref	6.76	-42.59	1	266.345	0.062	1	4	5	C[NH+](C)C[C@@H]1CN(C(=O)CCn2ccnc2)CCO1
282123038	ZINC000265321016	low	7.28	-79.75	2	266.345	0.062	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCO1
365638142	ZINC000343877109	ref	2.07	-48.66	1	240.347	0.749	3	2	5	O=C1C[C@H]([C@@H]2CCCC[N@H+]2CCCCO)CN1
365638153	ZINC000343877109	mid	1.89	-47.08	1	240.347	0.749	3	2	5	O=C1C[C@H]([C@@H]2CCCC[N@@H+]2CCCCO)CN1
282123039	ZINC000265321016	high	4.31	-10.85	0	266.345	0.062	0	5	5	CN(C)C[C@@H]1CN(C(=O)CCn2ccnc2)CCO1
282123040	ZINC000349876175	ref	8.35	-42.02	1	327.428	1.956	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2cnc3ccccc3c2)CCO1
199273108	ZINC000294963270	ref	4.12	-7.42	0	293.125	2.11	1	3	2	O=C(NN1CCOCC1)c1cc(Cl)c(F)cc1Cl
342080186	ZINC000625317179	low	8.7	-86.23	2	288.395	1.061	1	2	1	Cc1cn2c([nH+]1)C[C@H](C(=O)N1CC[N@H+]3CCC[C@@H]3C1)CC2
342080187	ZINC000625317179	high	6.16	-10.58	0	288.395	1.061	0	4	1	Cc1cn2c(n1)C[C@H](C(=O)N1CCN3CCC[C@@H]3C1)CC2
342080188	ZINC000625317415	ref	1.9	-10.53	0	294.395	1.48	3	4	7	COc1ccccc1[C@@H](CO)NCC(=O)NCC(C)(C)C
342080189	ZINC000625317415	mid	2.93	-39.86	1	294.395	1.48	3	3	7	COc1ccccc1[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C
342080190	ZINC000625317489	ref	6.34	-36.89	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)C1
342080191	ZINC000625317489	mid	7.07	-36.92	1	266.385	1.497	1	2	3	COC1CC(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)C1
342080192	ZINC000625317040	ref	0.37	-8.17	0	269.341	1.223	3	5	8	COC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccco1
342080193	ZINC000625317040	mid	1.64	-37.87	1	269.341	1.223	3	4	8	COC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccco1
398245616	ZINC000320446702	ref	4.02	-6.51	0	227.348	2.256	2	2	9	C=CCC[C@@H](CO)NC(=O)[C@@H](C)CCCC
349535174	ZINC000621243585	mid	7.09	-51.68	1	298.39	2.031	3	2	4	Cc1nc(C)c(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1
349535176	ZINC000621243585	mid	4.63	-11.32	0	298.39	2.031	2	3	4	Cc1nc(C)c(C(=O)N[C@H]2CCN(Cc3ccccc3)C2)[nH]1
282123041	ZINC000349876175	high	5.79	-11.5	0	327.428	1.956	0	4	5	CN(C)C[C@@H]1CN(C(=O)CCc2cnc3ccccc3c2)CCO1
282123042	ZINC000361710944	ref	5.97	-94.58	2	291.395	1.47	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])c2ccccc2O1
398245617	ZINC000380530772	ref	5.37	-39.25	1	222.332	1.387	1	1	1	C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC2(CCC2)C1
398245618	ZINC000285053595	ref	0.14	-10.67	0	232.692	1.005	2	3	3	C[C@H](NC(=O)c1sccc1Cl)C(N)=O
342080194	ZINC000625308940	ref	5.72	-39.59	1	256.39	1.65	2	2	4	CO[C@@H]1CCC[N@H+](CC(=O)NCC(C)(C)C)CC1
214187308	ZINC000278487228	ref	9.94	-19.92	0	301.411	3.12	0	3	6	CC(=O)CSCC(=O)N(C)Cc1ccc2ccccc2c1
214187310	ZINC000278487221	ref	3.87	-24.98	0	315.416	1.741	1	5	7	CCS(=O)(=O)c1ccc(NC(=O)CSCC(C)=O)cc1
178303557	ZINC000072464028	ref	6.49	-9.76	0	229.283	2.193	0	4	0	Cc1cc2nc3c(cn2n1)C(=O)CC(C)(C)C3
178303563	ZINC000072237399	ref	2.17	-51.85	-1	218.212	1.529	2	5	1	Cc1cc2ncc(C(=O)[O-])c(O)c2cc1N
214187312	ZINC000278487202	ref	8.04	-20.82	0	320.389	2.434	1	4	5	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cc(C)[nH]c(=O)c1
214187313	ZINC000278488337	ref	4.28	-12.56	0	306.395	1.955	2	7	5	CC(C)n1nccc1NC(=O)[C@H](C)Sc1nccnc1N
214187316	ZINC000278487785	ref	3.81	-10.76	0	320.433	2.337	3	4	7	COc1cc(CCO)ccc1NCC(=O)NC1CCC(C)CC1
214187318	ZINC000278487019	ref	4.16	-10.77	0	300.387	3.293	2	5	4	c1coc(-c2ncc(CN[C@H]3CCCc4c[nH]nc43)s2)c1
398245621	ZINC000336778728	ref	3.69	-33.67	1	239.281	2.468	2	1	4	CC1(C)CC[C@H]([NH2+][C@H](CO)CC(F)(F)F)C1
214187320	ZINC000278487019	mid	5.32	-51.68	1	300.387	3.293	2	4	4	c1coc(-c2ncc(C[NH2+][C@H]3CCCc4cn[nH]c43)s2)c1
214187322	ZINC000278487019	mid	5.55	-41.42	1	300.387	3.293	2	4	4	c1coc(-c2ncc(C[NH2+][C@H]3CCCc4c[nH]nc43)s2)c1
214187325	ZINC000278487019	high	4.1	-10.36	0	300.387	3.293	2	5	4	c1coc(-c2ncc(CN[C@H]3CCCc4cn[nH]c43)s2)c1
349536159	ZINC000602431468	ref	5.46	-38.29	1	239.363	1.189	1	3	6	C[C@H](CCC#N)CN1CCO[C@H](C[NH+](C)C)C1
342080195	ZINC000625308940	mid	5.73	-39.57	1	256.39	1.65	2	2	4	CO[C@@H]1CCC[N@@H+](CC(=O)NCC(C)(C)C)CC1
365638126	ZINC000172922802	ref	4.54	-12.03	0	291.347	1.714	1	4	6	COCCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2
398245619	ZINC000651442332	ref	4.88	-7.55	0	273.336	3.241	1	4	3	CC1(C)C[C@H](c2noc(/C=C\c3ccc[nH]3)n2)CCO1
365638138	ZINC000172921735	ref	6.1	-14.12	0	292.404	1.762	1	3	5	C[C@@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Sc1ccccc1
192037871	ZINC000418462433	ref	3.22	-48.94	1	243.395	2.095	3	1	5	C[C@H](C[NH3+])CNC(=O)NC(C)(C)CC(C)(C)C
342080196	ZINC000625308940	mid	3.92	-8.82	0	256.39	1.65	1	3	4	CO[C@@H]1CCCN(CC(=O)NCC(C)(C)C)CC1
192037872	ZINC000418465734	ref	3.56	-50.82	1	227.352	1.554	2	1	4	CC[C@@H]1CC[C@H](C)N1C(=O)NC[C@@H](C)C[NH3+]
192037875	ZINC000418429261	ref	2.55	-52.78	1	225.336	1.379	3	1	4	C=C(C)CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]
192037877	ZINC000418464733	ref	4.12	-46.81	1	243.351	0.806	2	2	5	CCC[NH2+]CCNC(=O)N1CCCO[C@H](C)C1
342080197	ZINC000625317051	ref	2.44	-9.96	0	282.359	1.611	3	3	6	CC(C)(C)CNC(=O)CN[C@H](CO)c1cccc(F)c1
342080198	ZINC000625317051	mid	3.63	-46.6	1	282.359	1.611	3	2	6	CC(C)(C)CNC(=O)C[NH2+][C@H](CO)c1cccc(F)c1
398245620	ZINC000651431386	ref	3.18	-7.64	0	276.405	3.141	1	4	3	C[C@H](CO)C1CCN(c2ccnc3ccsc23)CC1
398245623	ZINC000651431386	mid	3.6	-31.65	1	276.405	3.141	1	3	3	C[C@H](CO)C1CCN(c2cc[nH+]c3ccsc23)CC1
192037879	ZINC000418464592	ref	2.03	-52.8	1	243.351	0.648	2	2	4	CO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH3+])CC[C@H]1C
192037881	ZINC000418428659	ref	4.47	-49.19	1	239.363	1.864	2	1	7	C=CCN(C(=O)NCC([NH3+])(CC)CC)C1CC1
342080199	ZINC000608869783	ref	8.71	-14.6	0	271.236	1.89	0	7	4	O=[N+]([O-])c1ccc(-c2ncn(Cc3ccno3)n2)cc1
342080200	ZINC000625317109	ref	0.07	-43.56	1	283.343	1.115	4	3	7	OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccc(F)c1
192037884	ZINC000418430763	ref	2.03	-37.69	1	243.351	0.79	2	2	5	CO[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C1
192037886	ZINC000418465283	ref	5.88	-45.12	1	241.379	1.818	2	1	5	CCC[NH2+]CCNC(=O)N1CCCC[C@H](C)C1
342080201	ZINC000625317109	high	-1.21	-6.78	0	283.343	1.115	4	4	7	OC[C@H](NC[C@@H](O)CC1(O)CCC1)c1cccc(F)c1
192037888	ZINC000418464593	ref	2.11	-51.71	1	243.351	0.648	2	2	4	CO[C@@H]1CN(C(=O)NC[C@H](C)C[NH3+])CC[C@@H]1C
342080202	ZINC000625310575	ref	6.52	-18.48	0	287.367	1.713	0	5	4	CCn1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c(C)n1
192037889	ZINC000418429715	ref	4.01	-48.21	1	241.379	1.944	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CC[C@@H](C)[C@@H]1C
192037892	ZINC000418465756	ref	4.59	-49.5	1	243.395	2.049	2	1	8	CCC(CC)CN(CC)C(=O)NC[C@@H](C)C[NH3+]
398245625	ZINC000651431328	ref	5.66	-11.03	0	295.766	3.319	1	3	4	CCN(CC(C)(C)O)C(=O)c1coc2ccc(Cl)cc12
192037876	ZINC000273080206	ref	7.57	-11.98	0	258.325	1.796	1	4	4	C[C@H](C(=O)N[C@H](C)c1nncn1C)c1ccccc1
349535175	ZINC000093264787	ref	4.51	-55.42	1	255.362	0.313	1	2	4	CC[C@@H](C)CN(CC)C(=O)C(=O)N1CC[NH2+]CC1
342596622	ZINC000590795639	ref	5.8	-11.41	0	298.412	1.251	0	4	3	O=S(=O)(N1CCCCC1)N1CCC[C@@H](n2ccnc2)C1
398245622	ZINC000336778797	ref	7.09	-31.14	1	238.4	3.046	1	2	6	CCc1cccnc1[C@@H](C)[NH2+]C[C@H](C)SC
192037878	ZINC000273080217	ref	2.36	-20.44	0	292.339	1.319	2	4	5	CC[C@H](C)Oc1cc(C(=O)NN2CCCNC2=O)ccn1
192037880	ZINC000273080217	high	1.32	-49.85	-1	292.339	1.319	1	4	5	CC[C@H](C)Oc1cc(C(=O)[N-]N2CCCNC2=O)ccn1
192037882	ZINC000273080162	ref	3.14	-8.24	0	277.368	1.227	1	4	5	C[C@H](CN1CCOCC1)C(=O)N[C@H](C)c1ccccn1
192037883	ZINC000273080162	mid	5.03	-37.98	1	277.368	1.227	2	3	5	C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)c1ccccn1
342596623	ZINC000590795639	low	6.51	-37.74	1	298.412	1.251	0	3	3	O=S(=O)(N1CCCCC1)N1CCC[C@@H](n2cc[nH+]c2)C1
192037885	ZINC000273080286	ref	7.56	-6.69	0	298.155	3.457	0	1	1	Cc1cc(C(=O)N2CCC=C(F)C2)ccc1Br
342596624	ZINC000590794682	ref	3.88	-12.48	0	259.371	1.37	0	3	4	O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@H]1C1CC1
342596625	ZINC000616973183	ref	3.12	-19.74	0	286.253	1.253	2	2	3	O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1CCNC1=O
342596626	ZINC000616973222	ref	3.97	-16.72	0	278.739	1.448	2	2	3	O=C1NCC[C@@H]1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
282123043	ZINC000361710944	high	3.47	-43.92	1	291.395	1.47	1	3	4	CN(C)C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])c2ccccc2O1
214187315	ZINC000053551696	ref	6.07	-20.39	0	342.38	3.616	2	6	4	CNC(=O)c1ccc(Nc2ccc3nc(C)sc3c2)c([N+](=O)[O-])c1
192037887	ZINC000273080226	ref	5.69	-18.68	0	256.309	1.796	1	4	3	CC1(C)C[C@@H]1NC(=O)c1ccccc1-n1ccnn1
398245624	ZINC000336778797	high	5.99	-5.1	0	238.4	3.046	1	3	6	CCc1cccnc1[C@@H](C)NC[C@H](C)SC
192037890	ZINC000273079823	ref	2.68	-7.66	0	252.701	2.151	2	4	5	OC[C@H](NCc1ccno1)c1ccc(Cl)cc1
192037891	ZINC000273079823	low	3.88	-50.05	1	252.701	2.151	2	3	5	OC[C@H]([NH2+]Cc1ccno1)c1ccc(Cl)cc1
192037893	ZINC000273079816	ref	3.98	-47.83	1	272.352	1.221	3	2	5	O=C(CCc1nc2ccccc2[nH]1)NC[C@@H]1CC[NH2+]C1
166172853	ZINC000045060914	ref	2.64	-6.03	0	124.187	1.018	0	2	4	C=CCN(CC)CC#N
192037895	ZINC000273079782	ref	4.62	-46.44	1	286.335	0.342	2	4	3	Cc1ccn2c(=O)c(C(=O)NC[C@@H]3CC[NH2+]C3)cnc2c1
398245626	ZINC000336778794	ref	7.07	-32.27	1	238.4	3.046	1	2	6	CCc1cccnc1[C@@H](C)[NH2+]C[C@@H](C)SC
365638127	ZINC000354711441	high	2.17	-10.01	0	276.789	1.709	1	4	7	CN(C)CCOCCNC(=O)c1sccc1Cl
178303552	ZINC000237232430	ref	5.34	-43.69	1	356.264	1.38	2	3	7	COCC[NH2+]CC(=O)N[C@H]1CCN(c2ccccc2Br)C1
178303554	ZINC000237232430	high	3.99	-9.84	0	356.264	1.38	2	4	7	COCCNCC(=O)N[C@H]1CCN(c2ccccc2Br)C1
365638133	ZINC000354711317	ref	4.12	-12.41	0	275.352	1.855	1	3	2	Cc1cncc(CNC(=O)N2CCC[C@]23CCOC3)c1
214187319	ZINC000053526197	ref	8.88	-23.36	0	335.323	2.236	2	6	3	O=C1O[C@H](C(=O)Nc2n[nH]c(-c3ccccn3)n2)Cc2ccccc21
306234454	ZINC000557846930	ref	4.84	-8.64	0	333.413	1.765	2	5	4	COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@@H]1CCCSC1
306234455	ZINC000557841551	ref	2.85	-15.68	0	337.401	1.237	1	6	5	Cc1nn(C)cc1S(=O)(=O)NCC[C@H]1COc2ccccc2O1
312713266	ZINC000176862861	ref	3.3	-9.49	0	253.367	2.337	2	3	3	Cc1cscc1C(=O)NC[C@@H]1CCC[C@H](O)C1
178303555	ZINC000237223660	ref	3.8	-42.83	1	362.455	1.687	2	6	6	COc1ccccc1[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1noc(C)n1
178303559	ZINC000237223660	high	2.74	-16.75	0	362.455	1.687	2	7	6	COc1ccccc1[C@@H](NC(=O)C[C@H]1CSCCN1)c1noc(C)n1
178303561	ZINC000237227867	ref	7.43	-60.67	-1	351.79	1.804	1	6	7	COC[C@@](C)(NC(=O)c1cnn(Cc2ccccc2Cl)c1)C(=O)[O-]
365638137	ZINC000354710758	ref	3.85	-14.98	0	273.398	1.314	0	3	1	C[C@H]1C[C@@H](C)CN(C(=O)[C@@H]2CCS(=O)(=O)C2)[C@@H]1C
178303564	ZINC000237224446	ref	5.8	-12.05	0	354.45	1.737	2	3	7	CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1
365638147	ZINC000354710678	ref	2.67	-38.84	1	278.396	1.671	3	3	6	C[C@H](O)CCC[NH+]1CCN(Cc2cccc(O)c2)CC1
365638155	ZINC000354710678	high	0.26	-5.4	0	278.396	1.671	2	4	6	C[C@H](O)CCCN1CCN(Cc2cccc(O)c2)CC1
178303573	ZINC000237224446	mid	5.8	-12.05	0	354.45	1.737	2	4	7	CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2CN1
178303577	ZINC000237240648	ref	4.4	-52.16	1	371.528	1.359	1	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)C1
178303581	ZINC000237239354	ref	3.24	-47.22	1	351.428	1.81	2	4	6	C[NH2+]Cc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1
365638164	ZINC000354710128	ref	4.01	-21.33	0	261.387	1.314	0	3	3	CCS(=O)(=O)CC(=O)N1C[C@H](C)C[C@H](C)[C@H]1C
365638168	ZINC000354710587	ref	4.91	-39.06	1	267.373	1.446	3	2	8	CC(C)c1[nH]ccc1C(=O)NCCOCC[NH+](C)C
365638174	ZINC000354710587	high	2.39	-10.41	0	267.373	1.446	2	3	8	CC(C)c1[nH]ccc1C(=O)NCCOCCN(C)C
192037894	ZINC000418465478	ref	5.41	-36.19	1	243.395	2.19	2	1	7	CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H](C)C(C)C
342596627	ZINC000616973258	ref	3.88	-15.84	0	252.358	1.764	2	2	6	CC(C)=CCC[C@@H](C)CC(=O)N[C@@H]1CCNC1=O
185089161	ZINC000096075959	ref	6.47	-43.33	1	292.354	1.762	1	2	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccccc1F)C2
342596628	ZINC000616973270	ref	1.95	-16.2	0	288.347	1.281	3	3	5	O=C(C[C@@H](c1ccc(O)cc1)C1CC1)N[C@@H]1CCNC1=O
342596629	ZINC000616973255	ref	3.88	-15.89	0	252.358	1.764	2	2	6	CC(C)=CCC[C@@H](C)CC(=O)N[C@H]1CCNC1=O
349535179	ZINC000621242808	ref	2.98	-9.46	0	297.358	2.111	1	4	5	CCOc1cncc([C@H]2NC(=O)CN2Cc2ccccc2)c1
349535183	ZINC000621242468	ref	3.27	-10.36	0	283.331	2.359	1	4	3	CCOc1cncc([C@@H]2NC(=O)c3ccccc3N2C)c1
185089164	ZINC000096075959	mid	6.55	-47.45	1	292.354	1.762	1	2	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1ccccc1F)C2
192037896	ZINC000418463746	ref	-1.31	-50.2	1	229.324	0.208	4	2	7	C/C=C\C[C@H](CO)NC(=O)NC[C@@H](C)C[NH3+]
185089165	ZINC000096075959	mid	3.4	-13.78	0	292.354	1.762	0	3	4	COCCN1CC[C@@]12CCN(C(=O)c1ccccc1F)C2
342596630	ZINC000590794503	ref	3.82	-7.12	0	270.329	1.784	0	3	3	O=S(=O)(c1cncc(F)c1)N1CCC[C@H]1C1CC1
342596631	ZINC000616973269	ref	1.87	-18.24	0	288.347	1.281	3	3	5	O=C(C[C@H](c1ccc(O)cc1)C1CC1)N[C@@H]1CCNC1=O
192037898	ZINC000418463026	ref	1.74	-59.46	1	243.351	0.528	3	2	6	CCCN(CCO)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+]
342596632	ZINC000616973276	ref	5.19	-16.68	0	286.375	1.65	2	2	4	O=C1NCC[C@@H]1NC(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1
342596633	ZINC000590794907	ref	4.9	-16.18	0	299.396	1.029	0	5	4	O=S(=O)(C[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
192037901	ZINC000418462064	ref	4.93	-52.0	1	249.358	2.258	2	1	5	CCCN(C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1
140184773	ZINC000227327522	ref	5.89	-97.92	2	280.416	1.559	2	3	5	COc1c(C[NH2+]CC2(C)CC[NH+](C)CC2)c(C)nn1C
192037903	ZINC000418465755	ref	4.59	-49.43	1	243.395	2.049	2	1	8	CCC(CC)CN(CC)C(=O)NC[C@H](C)C[NH3+]
185089167	ZINC000096075820	ref	6.71	-50.4	1	287.407	2.413	1	2	3	Cc1cccc(C[NH2+]C2CCC3(CCC(=O)N3C)CC2)n1
349535187	ZINC000621243889	ref	7.91	-46.06	1	296.455	2.383	1	2	5	COCC1(C(=O)N2CC[NH+](CC(C)C)CC2)CCCCC1
192037905	ZINC000418429264	ref	2.19	-53.73	1	225.336	1.379	3	1	4	C=C(C)CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+]
192037907	ZINC000418432419	ref	0.06	-50.03	1	243.351	0.982	3	2	5	CCC([NH3+])(CC)CNC(=O)N[C@@]1(C)CCOC1
192037909	ZINC000418432256	ref	4.13	-36.09	1	241.379	1.8	2	1	5	CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H]1C(C)C
342080203	ZINC000050951924	ref	7.0	-52.56	1	278.4	1.559	2	3	8	O=C(CCC1CC[NH2+]CC1)NCCCCn1ccnc1
365638136	ZINC000641605127	ref	6.45	-8.69	0	270.336	1.829	1	4	4	Cc1cccc(CN(C)c2cc(C(N)=O)ncn2)c1C
342080204	ZINC000050951924	low	7.52	-84.88	2	278.4	1.559	2	2	8	O=C(CCC1CC[NH2+]CC1)NCCCCn1cc[nH+]c1
342080205	ZINC000625309899	ref	6.15	-15.06	0	268.223	1.465	0	5	2	O=C(c1coc(C(F)F)c1)N1CCn2cnnc2C1
342080206	ZINC000625310569	ref	7.07	-15.91	0	287.367	1.713	0	5	4	CCn1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)n1
365638144	ZINC000641605207	ref	2.57	-9.0	0	284.319	1.3	2	5	3	Cc1cccc2c1OC[C@H](Nc1nccnc1C(N)=O)C2
343994055	ZINC000625559416	ref	6.25	-39.77	1	247.342	1.65	1	3	5	CCO[C@@H](C[N@@H+]1CCc2nccnc2C1)C1CC1
365638152	ZINC000641605426	ref	3.93	-44.65	1	284.372	1.291	2	2	7	C[C@@H](CCNS(=O)(=O)C[C@@]1(C)CC1(F)F)[NH+](C)C
230732219	ZINC000414308305	ref	5.48	-11.84	0	310.279	3.111	1	5	4	Cc1cc(CNc2cccc(OC(F)(F)F)c2C#N)nn1C
342080207	ZINC000625317977	ref	0.52	-44.02	1	299.798	1.629	4	3	7	OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
365638162	ZINC000641602218	ref	5.85	-11.34	0	281.396	1.954	1	3	4	CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1C[C@@H]2C[C@]2(O)C1
365638171	ZINC000641605296	ref	3.07	-9.87	0	272.345	1.623	0	4	2	CC[C@H]1CN(c2ccncc2F)C[C@H](C)S1(=O)=O
365638178	ZINC000641605296	low	3.54	-48.56	1	272.345	1.623	0	3	2	CC[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)S1(=O)=O
365638187	ZINC000641605197	ref	3.66	-11.9	0	287.367	1.262	2	6	5	Cn1nccc1-c1ccc(N[C@H](CO)C2CCCC2)nn1
365638196	ZINC000641605099	ref	2.59	-14.85	0	298.408	1.277	1	4	5	Cc1ccncc1CCNS(=O)(=O)[C@@H]1CCOC[C@H]1C
365638205	ZINC000641605546	ref	4.32	-42.16	1	262.419	1.436	2	2	7	C[C@@H](CCNS(=O)(=O)CC1(C)CCC1)[NH+](C)C
342080208	ZINC000625317977	high	-0.63	-7.03	0	299.798	1.629	4	4	7	OC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
365638212	ZINC000641605424	ref	3.92	-42.86	1	284.372	1.291	2	2	7	C[C@@H](CCNS(=O)(=O)C[C@]1(C)CC1(F)F)[NH+](C)C
342080209	ZINC000623714678	ref	5.27	-21.81	0	282.25	1.487	1	5	6	O=C(COCC(F)F)Nc1ccc(-n2cccn2)nc1
365638217	ZINC000641602142	ref	1.01	-8.73	0	292.379	1.33	2	5	3	OCc1ccnc(N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1
342080210	ZINC000625310748	ref	7.1	-42.32	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(C)n1
365638221	ZINC000641602142	low	1.32	-29.0	1	292.379	1.33	2	4	3	OCc1cc[nH+]c(N2CCOC[C@@H]2[C@@H]2CCCC[C@H]2O)c1
343994056	ZINC000625559416	mid	6.32	-39.7	1	247.342	1.65	1	3	5	CCO[C@@H](C[N@H+]1CCc2nccnc2C1)C1CC1
192037897	ZINC000273079821	ref	2.79	-7.91	0	252.701	2.151	2	4	5	OC[C@@H](NCc1ccno1)c1ccc(Cl)cc1
197594307	ZINC000162821986	ref	9.71	-9.65	0	302.349	3.47	0	4	5	CC[C@H](C(=O)OCc1cc(C)nc(C)n1)c1ccc(F)cc1
192037899	ZINC000273079821	low	3.87	-50.64	1	252.701	2.151	2	3	5	OC[C@@H]([NH2+]Cc1ccno1)c1ccc(Cl)cc1
230732211	ZINC000425468315	ref	4.44	-9.85	0	309.391	2.399	2	5	4	COC(=O)c1cnc([C@@H](C)NC(=O)N[C@H]2C=CCCC2)s1
282123044	ZINC000365230259	ref	10.01	-45.68	1	348.443	2.464	1	4	5	C[NH+](C)C[C@@H]1CN(C(=O)CCC(=O)OC(C)(C)C)c2ccccc2O1
282123045	ZINC000365230259	high	7.53	-9.71	0	348.443	2.464	0	5	5	CN(C)C[C@@H]1CN(C(=O)CCC(=O)OC(C)(C)C)c2ccccc2O1
192037904	ZINC000273079852	ref	4.23	-8.55	0	287.306	1.929	2	4	5	CC(C)(C)OC(=O)CN[C@@H](CO)c1c(F)cccc1F
365638145	ZINC000617441454	low	3.39	-30.43	0	283.295	0.985	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2cccc3[nH]nnc23)c2ncnn21
365638148	ZINC000617441454	high	3.18	-63.15	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c23)c2ncnn21
192037906	ZINC000273080167	ref	6.12	-14.13	0	282.409	1.903	1	2	5	Cc1cccc(CN(C)C(=O)N[C@H](C)C[S@](C)=O)c1
192037908	ZINC000273080224	ref	5.68	-18.65	0	256.309	1.796	1	4	3	CC1(C)C[C@H]1NC(=O)c1ccccc1-n1ccnn1
365638154	ZINC000617441454	high	3.24	-62.75	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc23)c2ncnn21
192037910	ZINC000273079813	ref	4.86	-12.64	0	294.786	2.083	2	5	6	CCn1c(C)nnc1CN[C@H](CO)c1ccc(Cl)cc1
192037911	ZINC000273079813	low	6.11	-50.59	1	294.786	2.083	2	4	6	CCn1c(C)nnc1C[NH2+][C@H](CO)c1ccc(Cl)cc1
192037913	ZINC000273080296	ref	5.84	-41.32	1	275.348	2.463	1	3	4	C[C@]1([NH2+]Cc2cccc3c2OCO3)CCO[C@@H]1C1CC1
192037915	ZINC000273080296	high	4.66	-7.02	0	275.348	2.463	1	4	4	C[C@]1(NCc2cccc3c2OCO3)CCO[C@@H]1C1CC1
365638159	ZINC000617441454	high	3.39	-63.11	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc23)c2ncnn21
365638167	ZINC000617441465	ref	4.76	-15.12	0	262.313	0.825	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)c2ncnn21
365638176	ZINC000617442066	ref	1.18	-18.5	0	286.295	0.208	2	6	3	C[C@@H]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)c2ncnn21
365638184	ZINC000617442374	ref	1.31	-62.04	-1	262.273	0.451	2	6	2	Cc1n[nH]c(C(=O)N[C@@H]2C[C@H](C)n3ncnc32)c1[O-]
214187323	ZINC000053526197	mid	8.82	-20.82	0	335.323	2.236	2	6	3	O=C1O[C@H](C(=O)Nc2nc(-c3ccccn3)n[nH]2)Cc2ccccc21
197594310	ZINC000162814069	ref	7.46	-7.08	0	305.765	3.9	1	5	2	CC(C)(C)c1nc(Cl)cc(Nc2ccc3c(c2)OCO3)n1
342596634	ZINC000590794907	low	5.61	-41.5	1	299.396	1.029	0	4	4	O=S(=O)(C[C@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
214187324	ZINC000053526197	high	8.8	-60.05	-1	335.323	2.236	1	6	3	O=C1O[C@H](C(=O)Nc2nnc(-c3ccccn3)[n-]2)Cc2ccccc21
349535181	ZINC000602430414	ref	2.64	-52.7	1	240.303	0.348	2	3	4	COC(=O)[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)C(C)C
197594315	ZINC000162823919	ref	7.63	-41.4	1	318.421	2.638	2	4	7	CCCC[C@H](C[NH3+])NC(=O)c1cc(C)n(-c2cc(C)on2)c1C
214187326	ZINC000053526197	high	8.71	-61.1	-1	335.323	2.236	1	6	3	O=C1O[C@H](C(=O)Nc2nc(-c3ccccn3)n[n-]2)Cc2ccccc21
398245627	ZINC000336778794	high	5.89	-4.88	0	238.4	3.046	1	3	6	CCc1cccnc1[C@@H](C)NC[C@@H](C)SC
214187328	ZINC000053526197	high	8.7	-61.11	-1	335.323	2.236	1	6	3	O=C1O[C@H](C(=O)Nc2n[n-]c(-c3ccccn3)n2)Cc2ccccc21
349535185	ZINC000258913952	ref	7.52	-61.65	1	220.291	2.607	1	1	5	CC(C)(C[NH2+]CCC#N)c1cccc(F)c1
349535188	ZINC000258913952	mid	6.36	-8.21	0	220.291	2.607	1	2	5	CC(C)(CNCCC#N)c1cccc(F)c1
349535192	ZINC000602430762	ref	8.36	-41.16	1	238.331	1.954	1	3	5	COC(=O)[C@H]1CCCC[N@@H+]1C[C@H](C)CCC#N
349535195	ZINC000602430762	mid	8.12	-42.39	1	238.331	1.954	1	3	5	COC(=O)[C@H]1CCCC[N@H+]1C[C@H](C)CCC#N
349535199	ZINC000602430762	mid	5.87	-11.09	0	238.331	1.954	0	4	5	COC(=O)[C@H]1CCCCN1C[C@H](C)CCC#N
214187331	ZINC000053518365	ref	6.55	-11.85	0	332.448	2.701	1	4	5	Cc1cc(CN2CCN(C(=O)NCCC3=CCCCC3)CC2)no1
214187334	ZINC000053547339	ref	7.51	-34.38	0	349.394	2.082	1	6	4	O=C(Cn1cccnc1=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1
214187337	ZINC000053547339	low	7.92	-51.06	1	349.394	2.082	1	5	4	O=C(Cn1cccnc1=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1
214187341	ZINC000053525419	ref	3.9	-13.47	0	338.408	1.366	1	5	5	CCOC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)N(C)C)CC1
282123046	ZINC000116785113	ref	6.12	-37.57	1	284.4	1.125	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1
342596635	ZINC000590794843	ref	5.17	-7.38	0	272.414	1.98	0	2	3	C[C@@H]1CCCCN1S(=O)(=O)N1CCC[C@H]1C1CC1
349535202	ZINC000602431721	ref	10.34	-45.04	1	230.355	3.367	1	1	6	Cc1ccccc1C[N@@H+](C)C[C@H](C)CCC#N
365638150	ZINC000172922883	ref	3.86	-9.23	0	274.242	1.31	1	2	3	C[C@@H](NC(=O)c1c(F)cc(F)cc1F)C(=O)N(C)C
365638161	ZINC000172916231	ref	4.67	-14.09	0	289.379	1.635	2	3	6	Cc1cc(NCC(=O)NCC2CC2)ccc1C(=O)N(C)C
365638170	ZINC000172921782	ref	4.88	-7.79	0	290.407	1.873	1	3	5	CC(C)[C@H](C(=O)NC[C@@H]1CN(C)CCO1)c1ccccc1
398245628	ZINC000651443976	ref	6.1	-5.64	0	264.369	3.475	0	4	4	CC1(C)C[C@@H](c2noc(CCC3CCC3)n2)CCO1
365638180	ZINC000172921782	low	7.3	-43.79	1	290.407	1.873	2	2	5	CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCO1)c1ccccc1
190493931	ZINC000269434792	ref	2.87	-18.66	0	254.286	-0.181	1	4	3	COC(=O)C[C@H]1CCCN1C(=O)[C@H]1CCC(=O)N1
365638188	ZINC000172921782	low	6.87	-44.28	1	290.407	1.873	2	2	5	CC(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](C)CCO1)c1ccccc1
398245632	ZINC000651440880	ref	7.43	-8.11	0	281.783	3.081	0	2	4	COC[C@@H]1CCCN1C(=O)[C@@H](C)c1ccc(Cl)cc1
197594317	ZINC000162817945	ref	7.76	-45.04	-1	313.401	2.783	1	3	4	CC[C@H]1CCC[C@H]1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1
342596636	ZINC000616973277	ref	5.15	-16.29	0	286.375	1.65	2	2	4	O=C1NCC[C@@H]1NC(=O)[C@H]1CCC[C@H]1Cc1ccccc1
342596637	ZINC000590795064	ref	4.18	-13.5	0	269.366	1.793	0	3	3	CCS(=O)(=O)N1CCCc2cc(OC)ccc2C1
349535182	ZINC000093264787	mid	3.22	-9.58	0	255.362	0.313	1	3	4	CC[C@@H](C)CN(CC)C(=O)C(=O)N1CCNCC1
349535186	ZINC000093284873	ref	3.91	-14.57	0	275.312	0.693	2	5	6	Cn1cnc(CNC(=O)NCCOc2ccccc2)n1
365638199	ZINC000172919000	ref	3.56	-18.79	0	298.433	1.502	2	4	8	C[C@H](CNC(=O)CSCC(N)=O)Sc1ccccc1
365638207	ZINC000172921739	ref	6.1	-15.21	0	292.404	1.762	1	3	5	C[C@H](CNC(=O)[C@H]1CC(=O)N(C)C1)Sc1ccccc1
349535191	ZINC000093262229	ref	6.58	-47.56	1	283.376	0.945	2	4	8	CCOCCN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1
365638220	ZINC000172917263	ref	3.75	-13.3	0	278.377	1.419	2	3	5	C[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)Sc1ccccc1
365638231	ZINC000565392392	ref	4.11	-13.55	0	279.296	1.164	2	5	3	C[C@@]1(CO)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N
365638247	ZINC000172921802	ref	5.1	-7.86	0	290.407	1.873	1	3	5	CC(C)[C@@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1
365638255	ZINC000172921802	low	7.09	-44.4	1	290.407	1.873	2	2	5	CC(C)[C@@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1
192037912	ZINC000418463034	ref	0.64	-38.04	1	243.351	0.669	3	2	5	CCCC[C@H](C[NH3+])NC(=O)N1C[C@@H](O)C[C@@H]1C
342596638	ZINC000616979477	ref	3.52	-16.19	0	278.418	1.353	1	3	9	CCCCS(=O)(=O)NCC(=O)N(CC)[C@@H](C)CC
214187329	ZINC000278488905	ref	6.73	-8.77	0	315.369	2.795	2	5	7	CCOC(=O)[C@H](NCc1cccc(O)c1OC)c1ccccc1
185089169	ZINC000096075820	high	5.51	-11.44	0	287.407	2.413	1	3	3	Cc1cccc(CNC2CCC3(CCC(=O)N3C)CC2)n1
214187332	ZINC000278487938	ref	7.44	-42.8	1	302.422	1.732	2	3	5	Cc1c(/C=C/C(=O)NCC2CC[NH+](C3CC3)CC2)cnn1C
214187333	ZINC000278487593	ref	7.26	-18.08	0	317.349	1.521	1	6	4	COC(=O)N(C)CC(=O)Nc1cc(C)nn1-c1cc(C)ccn1
214187336	ZINC000278487705	ref	4.4	-10.52	0	321.182	2.066	3	5	5	N#Cc1c(N)n[nH]c1CCCNc1ncccc1Br
210256834	ZINC000004713035	ref	14.03	-7.59	0	344.433	5.744	0	2	4	CCc1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1
210256840	ZINC000004712013	ref	8.78	-17.93	0	341.461	4.244	1	5	5	Cc1ccc(-c2csc(SCC(=O)Nc3ccccn3)n2)cc1
210256847	ZINC000004714347	ref	11.35	-52.13	-1	341.41	5.365	1	3	2	O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc13)[C@@H]1CC=C[C@H]21
210256851	ZINC000004714349	ref	11.86	-54.96	-1	341.41	5.365	1	3	2	O=C([O-])c1cccc2c1N[C@@H](c1cccc3ccccc13)[C@H]1CC=C[C@H]21
210256861	ZINC000004713686	ref	14.18	-84.47	2	330.516	5.157	2	1	12	CC[NH+](CC)CCCCCC[N@H+](CC)Cc1cc2ccccc2o1
210256865	ZINC000004713686	mid	14.18	-81.2	2	330.516	5.157	2	1	12	CC[NH+](CC)CCCCCC[N@@H+](CC)Cc1cc2ccccc2o1
210256871	ZINC000004710025	ref	4.44	-13.12	0	343.408	2.655	1	5	5	COc1ccc(N2C(=S)N=NC2[C@H](O)c2ccccc2)cc1OC
342080211	ZINC000625310748	mid	7.83	-41.71	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c(C)n1
214187339	ZINC000278488236	ref	3.91	-9.98	0	319.346	1.364	0	9	5	COC[C@H](OC(=O)c1cnc2c(c1)nnn2C)c1nccs1
342080212	ZINC000625310748	high	4.64	-11.5	0	290.411	1.91	0	4	3	CCn1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c(C)n1
342080213	ZINC000625309750	ref	6.36	-18.93	0	273.283	1.156	0	4	6	O=C(COCC(F)F)N1CCC[C@@H]1Cn1cccn1
282123047	ZINC000116785113	high	3.67	-8.4	0	284.4	1.125	0	4	5	CN(C)C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)CCO1
210256877	ZINC000004710025	mid	6.9	-47.79	-1	343.408	2.655	1	6	5	COc1ccc(-n2c([C@H](O)c3ccccc3)n[n-]c2=S)cc1OC
230732239	ZINC000425465802	ref	5.5	-15.26	0	307.438	2.028	3	2	8	O=C(NCCCNC(=O)C1CCC1)NC[C@@H]1C[C@H]1C1CCC1
349535189	ZINC000594968869	ref	5.0	-60.67	1	292.404	2.607	1	3	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2cc3cnccc3o2)C1
365638158	ZINC000576601209	ref	4.53	-7.82	0	214.284	1.834	2	1	4	O=C(NCCCF)N[C@H]1CCC[C@@H]2C[C@H]12
365638169	ZINC000576605269	ref	5.63	-43.36	1	228.336	1.012	2	2	6	CCO[C@H](CC)C(=O)N[C@H]1CC[N@H+](CC)C1
342596639	ZINC000616973273	ref	2.06	-13.07	0	264.247	1.114	2	2	2	O=C1NCC[C@H]1NC(=O)C1(C(F)(F)F)CCCC1
282123048	ZINC000116797170	ref	7.44	-37.64	1	270.417	1.992	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCCC(C)(C)C)CCO1
282123049	ZINC000116797170	high	4.99	-8.05	0	270.417	1.992	0	3	5	CN(C)C[C@@H]1CN(C(=O)CCCC(C)(C)C)CCO1
282123050	ZINC000365894306	ref	10.27	-90.59	2	331.46	2.074	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)c2ccccc2O1
282123051	ZINC000365894306	high	7.78	-42.76	1	331.46	2.074	1	3	4	CN(C)C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)c2ccccc2O1
282123052	ZINC000353106063	ref	3.94	-40.83	1	252.261	0.015	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)COC(F)F)CCO1
197594323	ZINC000290096298	ref	8.88	-16.22	0	296.37	2.563	1	3	5	C#Cc1ccccc1CC(=O)N[C@@H](C)Cc1c(C)noc1C
282123053	ZINC000353106063	high	1.49	-10.36	0	252.261	0.015	0	4	5	CN(C)C[C@@H]1CN(C(=O)COC(F)F)CCO1
282123054	ZINC000356011608	ref	6.13	-41.78	1	282.306	1.508	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCCC(F)(F)F)CCO1
199273110	ZINC000294962860	ref	4.16	-10.75	0	295.408	1.891	1	4	3	CCC[C@@]1(C)C(=O)NCCN1C(=O)c1c(C)nsc1C
365638177	ZINC000576605269	mid	5.71	-43.75	1	228.336	1.012	2	2	6	CCO[C@H](CC)C(=O)N[C@H]1CC[N@@H+](CC)C1
365638182	ZINC000576605269	high	3.23	-8.47	0	228.336	1.012	1	3	6	CCO[C@H](CC)C(=O)N[C@H]1CCN(CC)C1
365638190	ZINC000343877108	ref	1.81	-49.47	1	240.347	0.749	3	2	5	O=C1C[C@H]([C@H]2CCCC[N@H+]2CCCCO)CN1
365638194	ZINC000343877108	mid	2.09	-47.23	1	240.347	0.749	3	2	5	O=C1C[C@H]([C@H]2CCCC[N@@H+]2CCCCO)CN1
365638200	ZINC000576599560	ref	3.94	-8.16	0	248.33	1.552	2	3	4	Cn1nccc1CNC(=O)NC1(C2(C)CC2)CC1
192037914	ZINC000418462066	ref	4.93	-52.98	1	249.358	2.258	2	1	5	CCCN(C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1
365638211	ZINC000576599542	ref	2.9	-51.02	1	240.307	1.358	2	3	5	CCc1onc(C)c1NC(=O)N(C)CCC[NH3+]
342596640	ZINC000590795619	ref	6.57	-12.66	0	291.376	1.909	0	4	3	O=S(=O)(c1ccccc1)N1CCC[C@H](n2ccnc2)C1
342596641	ZINC000590795619	low	7.29	-40.05	1	291.376	1.909	0	3	3	O=S(=O)(c1ccccc1)N1CCC[C@H](n2cc[nH+]c2)C1
342596642	ZINC000616973257	ref	3.88	-15.82	0	252.358	1.764	2	2	6	CC(C)=CCC[C@H](C)CC(=O)N[C@H]1CCNC1=O
342596643	ZINC000590794842	ref	5.53	-8.76	0	272.414	1.98	0	2	3	C[C@H]1CCCCN1S(=O)(=O)N1CCC[C@@H]1C1CC1
342596644	ZINC000590796198	ref	6.19	-39.97	1	291.461	1.381	1	2	9	CCCN(CCC)S(=O)(=O)N(C)CC[NH+]1CCCC1
365638160	ZINC000336554483	mid	9.18	-38.2	1	291.439	2.494	1	2	2	Cn1ccc(C[N@@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1
398245629	ZINC000417630153	ref	3.47	-87.66	2	242.367	0.235	4	1	8	C[NH2+]C[C@@H](C)CNC(=O)NCC[N@H+](C)C1CC1
398245630	ZINC000417630153	mid	3.49	-87.99	2	242.367	0.235	4	1	8	C[NH2+]C[C@@H](C)CNC(=O)NCC[N@@H+](C)C1CC1
192037916	ZINC000418465761	ref	4.07	-50.04	1	227.352	1.411	2	1	6	CC(C)CN(C(=O)NC[C@H](C)C[NH3+])C1CC1
192037918	ZINC000418462739	ref	1.13	-45.25	1	231.34	0.398	3	2	7	CCC[NH2+]CCNC(=O)N(C)CC(C)(C)O
136229325	ZINC000195244579	ref	3.44	-12.97	0	249.31	2.942	2	3	5	C=C[C@](C)(CC)C(=O)Nc1ccc(OC)c(O)c1
192037920	ZINC000418464724	ref	4.56	-45.38	1	241.379	1.72	3	1	6	CCC[NH2+]CCNC(=O)NC1C(C)(C)C1(C)C
178303582	ZINC000051847827	ref	6.74	-53.75	-1	230.267	2.368	1	3	2	Cc1cc2nc([C@@H]3C[C@@H]3C(=O)[O-])[nH]c2cc1C
192037922	ZINC000418464128	ref	3.93	-50.55	1	227.352	1.411	2	1	5	C[C@@H](C[NH3+])CNC(=O)N(C)[C@H](C)C1CCC1
178303584	ZINC000051847827	low	7.61	-34.45	0	230.267	2.368	1	2	2	Cc1cc2[nH]c([C@@H]3C[C@@H]3C(=O)[O-])[nH+]c2cc1C
398245631	ZINC000417630153	high	1.18	-46.09	1	242.367	0.235	3	2	8	C[NH2+]C[C@@H](C)CNC(=O)NCCN(C)C1CC1
365638166	ZINC000336554483	mid	9.21	-38.16	1	291.439	2.494	1	2	2	Cn1ccc(C[N@H+]2CCN(C(=O)C(C)(C)C)CC2(C)C)c1
192037924	ZINC000418465282	ref	5.93	-45.28	1	241.379	1.818	2	1	5	CCC[NH2+]CCNC(=O)N1CCCC[C@@H](C)C1
192037926	ZINC000418431289	ref	4.89	-37.67	1	241.379	1.944	2	1	7	CCCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1CC1
192037928	ZINC000418464558	ref	3.83	-50.94	1	227.352	1.413	2	1	5	C[C@@H](C[NH3+])CNC(=O)N(C)CC1CCCC1
365638173	ZINC000336554719	ref	4.68	-13.33	0	285.303	2.437	0	4	2	Cc1coc(-c2cccc(N3C(=O)[C@H](C)N(C)C3=O)c2)n1
365638185	ZINC000336554833	ref	5.99	-30.33	1	265.426	2.428	1	3	2	Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@H]2C)c(C)s1
192037930	ZINC000418430453	ref	0.43	-37.87	1	245.367	0.818	4	2	7	CC(C)C[C@H](C[NH3+])NC(=O)N[C@H](C)C[C@H](C)O
398245634	ZINC000417630295	ref	3.22	-53.11	1	239.363	1.602	3	1	5	C[C@H](CC1CC1)NC(=O)N[C@@H]1CCC[C@H]1C[NH3+]
178303587	ZINC000020281523	ref	4.89	-10.55	0	201.151	2.057	0	3	0	Cc1cc2nccc(C(F)(F)F)n2n1
192037933	ZINC000418430789	ref	2.88	-52.18	1	249.305	1.555	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CCC(F)(F)C1
192037935	ZINC000418464612	ref	1.67	-51.05	1	243.351	0.84	3	2	6	CCC[C@]1(NC(=O)NC[C@@H](C)C[NH3+])CCOC1
192037937	ZINC000418465616	ref	3.57	-51.99	1	211.309	0.941	2	1	6	C=CCCN(C)C(=O)N[C@H](C[NH3+])C1CC1
365638191	ZINC000336554833	mid	5.51	-32.03	1	265.426	2.428	1	3	2	Cc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c(C)s1
398249323	ZINC000649443173	ref	6.47	-41.78	1	243.35	2.377	2	1	4	O[C@H](Cc1ccc(C2=CC[NH2+]CC2)cc1)C1CC1
365638179	ZINC000354711418	ref	4.95	-45.32	1	283.416	1.139	2	2	8	CC[C@@H](C)CN(CC)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
342080214	ZINC000625309748	ref	6.02	-22.95	0	273.283	1.156	0	4	6	O=C(COCC(F)F)N1CCC[C@H]1Cn1cccn1
342080215	ZINC000625310696	ref	4.09	-41.6	1	253.317	1.717	2	2	4	Cc1ccc(C[N@@H+](C)[C@]2(CO)CCOC2)cc1F
185089171	ZINC000096076996	ref	6.16	-51.52	1	259.353	1.716	2	2	2	O=C1CCC[C@@]2(CCC[N@H+](Cc3ccncc3)C2)N1
365638186	ZINC000354711021	ref	1.8	-13.78	0	266.341	1.3	2	4	8	CC[C@@H](O)CCCNC(=O)Cc1ccc(OC)cn1
365638195	ZINC000354711425	ref	3.87	-44.96	1	295.427	1.33	3	2	6	C[C@@H](NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1
365638202	ZINC000354711386	ref	3.62	-44.92	1	297.443	1.577	3	2	9	CCC(CC)(CC)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365638214	ZINC000354710679	ref	2.68	-38.81	1	278.396	1.671	3	3	6	C[C@@H](O)CCC[NH+]1CCN(Cc2cccc(O)c2)CC1
365638223	ZINC000354710679	high	0.26	-5.51	0	278.396	1.671	2	4	6	C[C@@H](O)CCCN1CCN(Cc2cccc(O)c2)CC1
365638230	ZINC000354711246	ref	4.09	-17.58	0	289.36	1.705	1	4	4	C[C@@H](NC(=O)c1cncnc1)c1ccc([S@](C)=O)cc1
365638238	ZINC000354711423	ref	4.18	-45.12	1	295.427	1.33	3	2	6	C[C@H](NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1
365638244	ZINC000354711129	ref	1.92	-14.68	0	294.351	1.386	2	4	7	NC(=O)Cc1occc1C(=O)NCCC[C@H]1CCCCO1
365638252	ZINC000354711552	ref	1.06	-9.34	0	296.371	1.754	2	5	4	COc1nn(C)cc1NC(=O)N[C@H]1C[C@](C)(OC)C1(C)C
365638262	ZINC000354710707	ref	3.64	-50.79	1	287.367	1.59	3	3	5	CC(C)(C)[NH2+]CCNC(=O)c1c[nH]nc1-c1ccccn1
365638270	ZINC000354710707	mid	3.65	-45.28	1	287.367	1.59	3	3	5	CC(C)(C)[NH2+]CCNC(=O)c1cn[nH]c1-c1ccccn1
342080216	ZINC000625310696	mid	4.1	-42.52	1	253.317	1.717	2	2	4	Cc1ccc(C[N@H+](C)[C@]2(CO)CCOC2)cc1F
342080217	ZINC000625310696	high	1.96	-5.61	0	253.317	1.717	1	3	4	Cc1ccc(CN(C)[C@]2(CO)CCOC2)cc1F
342080218	ZINC000625309844	ref	6.23	-16.16	0	293.758	1.575	0	5	3	Cn1cc(Cl)c(C(=O)N2CCC[C@H]2Cn2cccn2)n1
342080219	ZINC000625309868	ref	6.03	-58.69	1	297.366	1.289	1	6	6	C[C@H]([NH2+]CCc1cn(C)nn1)c1ccc(-n2ccnn2)cc1
342080220	ZINC000608869609	ref	4.32	-10.88	0	253.323	1.829	1	4	5	CC[C@H](Sc1ccc(C(=O)OC)cc1)C(N)=O
342080221	ZINC000608869492	ref	4.17	-11.47	0	288.394	1.364	1	6	7	COC(=O)CSCCC(=O)NCc1csc(C)n1
365638275	ZINC000354710707	high	3.48	-59.61	0	287.367	1.59	2	3	5	CC(C)(C)[NH2+]CCNC(=O)c1c[n-]nc1-c1ccccn1
349535190	ZINC000621243889	mid	6.08	-9.14	0	296.455	2.383	0	3	5	COCC1(C(=O)N2CCN(CC(C)C)CC2)CCCCC1
185089173	ZINC000096076996	mid	5.66	-52.13	1	259.353	1.716	2	2	2	O=C1CCC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)N1
365638192	ZINC000617442109	ref	4.0	-16.76	0	275.316	0.715	1	7	4	CCCn1cc(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)nn1
185089174	ZINC000096076996	mid	3.78	-9.05	0	259.353	1.716	1	3	2	O=C1CCC[C@@]2(CCCN(Cc3ccncc3)C2)N1
365638203	ZINC000617440524	ref	6.03	-46.91	1	265.361	0.986	2	4	4	CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)[NH+](C)C
342080222	ZINC000625310469	ref	6.13	-9.51	0	288.355	1.303	1	6	5	CO[C@H]1CCN(c2nnc(-c3cn[nH]c3)n2CC2CC2)C1
365638209	ZINC000617440524	high	4.23	-14.51	0	265.361	0.986	1	5	4	CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)N(C)C
365638218	ZINC000617442094	ref	5.13	-20.21	0	250.302	0.969	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)c2ncnn21
365639386	ZINC000576605933	ref	4.08	-9.13	0	245.326	1.859	1	4	2	Cc1ccnc(N2CCC[C@H](CO)[C@@H]2C)c1C#N
214187335	ZINC000293600437	ref	4.28	-15.49	0	368.437	0.851	0	5	3	O=C(CN1CCOCC1)N1CCN(C(=O)c2cnc3ccccc3c2)CC1
214187338	ZINC000293610932	ref	6.98	-12.64	0	364.431	0.478	1	9	4	COC(=O)C1(NC(=O)c2nnn(-c3ccn(C)n3)c2C)CCSCC1
214187342	ZINC000293610632	ref	3.58	-20.48	0	354.414	0.471	1	7	7	COCCn1nnc2c1CCN(CC(=O)NCc1ccc(C#N)cc1)C2
214187346	ZINC000293600986	ref	6.21	-16.24	0	370.417	0.355	0	9	4	Cc1cnn(C[C@H]2CN(C(=O)c3nnn(-c4ccn(C)n4)c3C)CCO2)c1
214187350	ZINC000293608896	ref	1.52	-14.1	0	355.489	1.0	0	7	4	Cc1ncc(CN2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)s1
214187353	ZINC000293614508	ref	6.5	-13.06	0	366.345	0.771	1	6	5	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc(C(=O)OC)cc2)C1
230732274	ZINC000450417097	ref	8.09	-17.5	0	306.41	1.944	1	5	7	CN(C)c1nccc(CNC(=O)CCCC(=O)C(C)(C)C)n1
230732283	ZINC000450416637	ref	4.16	-11.18	0	316.405	1.956	2	5	6	Cc1nc2ccnn2cc1C(=O)NCC1([C@H](C)CCO)CCC1
342080223	ZINC000625309027	ref	6.62	-9.8	0	290.371	1.551	1	6	8	CCOCCN(C)c1nnc(-c2cn[nH]c2)n1CC1CC1
342080224	ZINC000625317139	ref	5.19	-39.27	1	260.337	1.621	2	2	1	Cc1cccc(O)c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1
342080225	ZINC000625317139	mid	4.75	-40.36	1	260.337	1.621	2	2	1	Cc1cccc(O)c1C(=O)N1CC[N@H+]2CCC[C@H]2C1
342080226	ZINC000625317139	high	5.96	-60.83	0	260.337	1.621	1	2	1	Cc1cccc([O-])c1C(=O)N1CC[N@@H+]2CCC[C@H]2C1
342596645	ZINC000590796198	high	3.74	-7.52	0	291.461	1.381	0	3	9	CCCN(CCC)S(=O)(=O)N(C)CCN1CCCC1
282123055	ZINC000356011608	high	3.58	-11.87	0	282.306	1.508	0	3	5	CN(C)C[C@@H]1CN(C(=O)CCCC(F)(F)F)CCO1
282123056	ZINC000116794774	ref	8.4	-38.83	1	310.825	2.062	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2Cl)CCO1
192037921	ZINC000273080181	ref	2.14	-11.74	0	262.309	1.318	2	3	4	NC(=O)OCCNC(=O)[C@H]1CCCc2ccccc21
365638198	ZINC000336554632	ref	6.18	-12.8	0	288.391	2.35	0	3	2	Cc1ncccc1CC(=O)N1CCC2(CCOCC2)[C@H]1C
178303586	ZINC000237239354	high	1.79	-13.23	0	351.428	1.81	2	5	6	CNCc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)c1
178303589	ZINC000237231479	ref	5.3	-50.36	1	368.499	1.864	1	4	9	COCCOc1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1
192037923	ZINC000273080062	ref	5.58	-10.91	0	287.294	1.374	1	3	3	N#Cc1ccc(C(=O)NCC(=O)N2CCC=C(F)C2)cc1
178303593	ZINC000237237278	ref	4.79	-53.3	1	360.376	1.903	2	3	6	CN(C[C@H](O)COc1ccccc1C(F)(F)F)C(=O)C1CC[NH2+]CC1
192037925	ZINC000273080177	ref	2.13	-11.69	0	262.309	1.318	2	3	4	NC(=O)OCCNC(=O)[C@@H]1CCCc2ccccc21
192037927	ZINC000273079933	ref	7.3	-9.23	0	278.396	2.574	1	3	8	CC(C)OCCCC(=O)NCc1ccccc1N(C)C
178303596	ZINC000237227053	ref	9.05	-57.27	-1	350.39	1.54	0	4	6	CN(CCC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
178303598	ZINC000237243226	ref	5.34	-53.97	1	357.458	1.882	2	5	7	COc1ccc(CCCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1
192037929	ZINC000273080013	ref	2.22	-55.64	1	260.359	-0.179	2	3	8	C=CCS(=O)(=O)CCNC(=O)/C=C/C[NH+](C)C
192037931	ZINC000273080013	mid	-0.27	-21.16	0	260.359	-0.179	1	4	8	C=CCS(=O)(=O)CCNC(=O)/C=C/CN(C)C
185089176	ZINC000096077530	ref	5.24	-16.17	0	296.334	0.9	0	6	2	O=C1C[C@]2(CCN(c3cnccn3)C2)CN1c1cncnc1
192037932	ZINC000273080173	ref	2.8	-8.23	0	277.368	1.227	1	4	5	C[C@@H](CN1CCOCC1)C(=O)N[C@@H](C)c1ccccn1
185089178	ZINC000096075955	ref	5.07	-41.2	1	289.379	1.327	1	3	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1ccc(C)nc1)C2
192037934	ZINC000273080173	mid	4.99	-38.11	1	277.368	1.227	2	3	5	C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)c1ccccn1
178303601	ZINC000237240567	ref	6.16	-41.16	1	355.438	1.834	3	3	10	COCC[NH2+]CC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
185089180	ZINC000096075955	mid	5.18	-39.99	1	289.379	1.327	1	3	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1ccc(C)nc1)C2
219048071	ZINC000097680412	ref	7.11	-15.44	0	345.83	2.776	2	3	4	Cc1nc(C)c(CCC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(=O)[nH]1
219048073	ZINC000097680412	high	6.02	-46.38	-1	345.83	2.776	1	3	4	Cc1nc(C)c(CCC(=O)N[C@@H]2CCc3cc(Cl)ccc32)c(=O)[n-]1
214187340	ZINC000278487924	ref	6.74	-12.38	0	318.352	1.87	1	5	3	Cc1nc(C(=O)N[C@@H]2CCOC[C@@H]2C)nn1-c1ccc(F)cc1
398245633	ZINC000651440556	ref	6.18	-10.04	0	287.363	3.251	0	5	3	Cn1ccc(/C=C\c2nc([C@@H]3CCOC(C)(C)C3)no2)c1
365638201	ZINC000623070847	mid	3.96	-13.72	0	322.434	1.616	2	5	1	O=C(Nc1nc2c(s1)CCCC2)N1CC[C@@H]2OCCN[C@H]2C1
282123057	ZINC000116794774	high	5.95	-8.55	0	310.825	2.062	0	3	5	CN(C)C[C@@H]1CN(C(=O)CCc2ccccc2Cl)CCO1
365638208	ZINC000623070858	ref	4.14	-102.5	2	300.353	1.852	4	1	7	C[NH+](C)Cc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1
342596646	ZINC000616973187	ref	3.79	-19.03	0	278.377	1.4	2	3	4	Cc1ccc(C)c(SCC(=O)N[C@@H]2CCNC2=O)c1
219048079	ZINC000097681702	ref	6.02	-10.47	0	338.314	2.888	1	5	4	CCn1cc(CN(C)C(=O)Nc2cccc3c2OC(F)(F)O3)cn1
349535193	ZINC000594968869	high	4.2	-14.14	0	292.404	2.607	1	4	4	C[S@](=O)[C@H]1CCC[C@H](NCc2cc3cnccc3o2)C1
219048082	ZINC000097682078	ref	9.24	-10.92	0	338.209	2.149	0	5	2	CC[C@H]1CCCN(C(=O)c2nc3ncc(Br)cn3n2)C1
219048084	ZINC000097682031	ref	4.12	-13.35	0	338.751	1.685	2	6	7	O=C(CCn1cc([N+](=O)[O-])cn1)NC[C@@H](O)c1ccc(Cl)cc1
342596647	ZINC000590795653	ref	4.8	-13.53	0	292.364	1.304	0	5	3	O=S(=O)(c1cccnc1)N1CCC[C@H](n2ccnc2)C1
342596648	ZINC000590795653	low	5.52	-42.66	1	292.364	1.304	0	4	3	O=S(=O)(c1cccnc1)N1CCC[C@H](n2cc[nH+]c2)C1
365638215	ZINC000623070858	high	1.68	-58.61	1	300.353	1.852	3	2	7	CN(C)Cc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1
342596649	ZINC000590794502	ref	4.08	-8.04	0	270.329	1.784	0	3	3	O=S(=O)(c1cncc(F)c1)N1CCC[C@@H]1C1CC1
219048087	ZINC000097682483	ref	4.86	-19.76	0	332.404	1.092	2	4	4	CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1
219048090	ZINC000097682648	ref	2.23	-18.1	0	325.434	0.549	0	5	5	CC(C)N(Cc1cccnc1)C(=O)CN1CCS(=O)(=O)CC1
342596650	ZINC000590794681	ref	3.98	-13.03	0	259.371	1.37	0	3	4	O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@@H]1C1CC1
219048092	ZINC000097680944	ref	7.8	-43.82	1	334.464	1.702	2	4	5	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1
259308399	ZINC000322980477	ref	8.15	-38.69	1	249.398	3.585	1	1	8	CC[C@@](C)(C[NH2+]CC[C@@H](C)c1ccccc1)OC
214187343	ZINC000278487958	ref	9.87	-88.12	2	315.461	2.352	3	1	6	C[NH+](C)Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1
343994057	ZINC000625559416	mid	3.84	-5.03	0	247.342	1.65	0	4	5	CCO[C@@H](CN1CCc2nccnc2C1)C1CC1
343994058	ZINC000625559345	ref	3.07	-10.24	0	229.305	0.757	1	4	5	C/C=C/CNS(=O)(=O)c1cncn1CC
343994059	ZINC000625559202	ref	1.06	-12.88	0	247.341	1.611	1	4	5	C/C=C/CNS(=O)(=O)c1sccc1OC
197600960	ZINC000162936261	ref	6.57	-40.52	1	323.481	1.918	2	2	5	C[C@H](NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@H]1C)C(=O)N1CCCCC1
197600962	ZINC000162940056	ref	7.23	-7.98	0	316.401	2.233	1	5	4	COC(=O)[C@@H](N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccnc1
342080227	ZINC000625317139	high	5.52	-60.96	0	260.337	1.621	1	2	1	Cc1cccc([O-])c1C(=O)N1CC[N@H+]2CCC[C@H]2C1
349535194	ZINC000621241872	ref	7.57	-58.43	-1	275.295	2.183	1	3	6	O=C(CC1(C(=O)[O-])CCCC1)NCC[C@H]1CC1(F)F
214187345	ZINC000278487958	high	7.39	-41.31	1	315.461	2.352	2	2	6	CN(C)Cc1ccc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc1
349535197	ZINC000621243314	ref	4.07	-7.86	0	250.733	2.1	0	4	4	CN(Cc1cncc(Cl)c1)Cc1cnn(C)c1
349535201	ZINC000621243314	low	6.39	-47.89	1	250.733	2.1	1	3	4	Cn1cc(C[N@H+](C)Cc2cncc(Cl)c2)cn1
295666393	ZINC000332820291	ref	2.16	-18.6	0	344.477	1.148	2	4	2	O=C(NC[C@@H]1CCCS(=O)(=O)C1)N1CC[C@]2(O)CCCC[C@@H]2C1
342080228	ZINC000625309636	ref	9.81	-13.96	0	298.354	1.46	2	7	6	CCn1ccc(Nc2nnc(-c3cn[nH]c3)n2CC2CC2)n1
365638204	ZINC000123571595	ref	4.04	-10.07	0	276.38	2.477	1	3	4	CCC(CC)C(=O)N1CCN(c2cccc(O)c2)CC1
197600974	ZINC000162932675	ref	5.49	-37.1	1	303.431	3.057	2	3	7	CCCC[C@H](C[NH3+])NC(=O)c1csc(-c2ccccc2)n1
230732286	ZINC000450419210	ref	3.4	-15.75	0	301.346	1.207	2	5	4	C[C@H]1Cc2cccc(C(=O)N[C@@H](CO)c3cnn(C)c3)c2O1
365638213	ZINC000123539130	ref	6.45	-14.52	0	272.348	2.337	1	2	1	O=C(c1cc[nH]c(=O)c1)N1CCC[C@@]2(CC=CCC2)C1
342080229	ZINC000618607435	ref	5.72	-9.97	0	269.295	1.923	1	3	4	CN(C)c1cc(C(=O)NC[C@@]2(C)CC2(F)F)ccn1
342080230	ZINC000625317038	ref	-0.98	-8.11	0	269.341	1.223	3	5	8	COC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccco1
342080231	ZINC000625317038	mid	0.36	-37.93	1	269.341	1.223	3	4	8	COC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccco1
342080232	ZINC000625317244	ref	4.5	-39.38	1	298.349	1.784	2	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](CO)C(C)(C)C
342080233	ZINC000625317244	high	3.19	-10.31	0	298.349	1.784	2	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@H](CO)C(C)(C)C
178303594	ZINC000049054772	ref	6.76	-14.22	0	200.241	2.24	0	3	0	Cc1cc2nc3n(c2cc1C)C(=O)CC3
214187344	ZINC000053525419	mid	6.54	-49.63	1	338.408	1.366	2	4	5	CCOC(=O)N1CCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CC1
214187349	ZINC000053545042	ref	7.53	-19.9	0	343.362	1.185	1	6	6	C[C@@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cn1cccn1
178303600	ZINC000001044400	ref	7.58	-10.67	0	209.252	2.705	0	3	1	Cc1cc2nccc(-c3ccccc3)n2n1
178303605	ZINC000002384357	ref	5.52	-7.4	0	230.296	2.348	1	5	1	Cc1cc2ncc(-c3ccsc3)c(N)n2n1
178303609	ZINC000298145944	ref	5.99	-9.99	0	246.314	1.827	0	4	2	Cc1cc2ncc(C(=O)N(C)C(C)C)c(C)n2n1
349535196	ZINC000093262229	high	4.12	-13.21	0	283.376	0.945	1	5	8	CCOCCN(C)C(=O)Nc1ccn(CCN(C)C)n1
214187352	ZINC000053528040	ref	8.23	-15.37	0	339.321	3.174	2	4	3	O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1
349535200	ZINC000093260495	ref	5.26	-10.06	0	275.308	0.992	1	4	5	CCOCCN(C)C(=O)C(=O)Nc1ccc(C#N)cc1
214187355	ZINC000053528040	mid	8.24	-14.2	0	339.321	3.174	2	4	3	O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1
214187358	ZINC000053528040	high	8.15	-54.55	-1	339.321	3.174	1	4	3	O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1
214187360	ZINC000053528040	high	8.07	-55.67	-1	339.321	3.174	1	4	3	O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@@H]1CCC[C@@H](C(F)(F)F)C1
214187364	ZINC000053528040	high	8.06	-55.65	-1	339.321	3.174	1	4	3	O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1
214187367	ZINC000053522972	ref	7.66	-53.9	1	347.665	3.116	1	3	5	O=c1ccc(Br)cn1CC[NH2+]Cc1ccc(Cl)s1
214187371	ZINC000053522972	high	6.3	-8.51	0	347.665	3.116	1	4	5	O=c1ccc(Br)cn1CCNCc1ccc(Cl)s1
349535205	ZINC000093260554	ref	5.14	-9.51	0	282.344	0.897	1	5	6	CCOCCN(C)C(=O)C(=O)Nc1ccnn1C(C)C
349535210	ZINC000093273924	ref	0.83	-10.7	0	290.371	0.738	0	7	4	Cc1nc(CN2CCN(Cc3cn(C)nc3C)CC2)no1
349535217	ZINC000093273924	low	3.09	-42.18	1	290.371	0.738	1	6	4	Cc1nc(CN2CC[NH+](Cc3cn(C)nc3C)CC2)no1
214187375	ZINC000053519976	ref	6.62	-17.81	0	333.432	1.884	1	3	5	Cc1ccc(OCCNC(=O)N2CCC(C(=O)N(C)C)CC2)cc1
349535222	ZINC000093274176	ref	-1.78	-10.99	0	292.339	0.781	1	7	5	Cc1nc(CN2CCN(Cc3ccc(CO)o3)CC2)no1
349535227	ZINC000093274176	low	0.5	-41.13	1	292.339	0.781	2	6	5	Cc1nc(CN2CC[NH+](Cc3ccc(CO)o3)CC2)no1
282123058	ZINC000116787457	ref	8.96	-40.43	1	345.27	2.715	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(Cl)c(Cl)c2)CCO1
365638206	ZINC000336554516	ref	7.61	-44.14	1	296.455	2.382	1	2	2	CC(C)(C)C(=O)N1CC[N@H+](C[C@H]2CCCOC2)C(C)(C)C1
282123059	ZINC000116787457	high	6.51	-8.99	0	345.27	2.715	0	3	5	CN(C)C[C@@H]1CN(C(=O)CCc2ccc(Cl)c(Cl)c2)CCO1
323004634	ZINC000449667561	ref	7.79	-37.01	1	237.387	3.114	1	1	5	CC[C@@H]1C[C@H](C[NH2+]C2(C3(C)CC3)CC2)CCO1
192037942	ZINC000273079835	ref	4.88	-44.49	1	258.321	2.081	2	2	3	Cc1c(C(=O)NC[C@@H]2CC[NH2+]C2)oc2ccccc12
398245635	ZINC000651442331	ref	4.89	-7.64	0	273.336	3.241	1	4	3	CC1(C)C[C@@H](c2noc(/C=C\c3ccc[nH]3)n2)CCO1
192037944	ZINC000273079871	ref	3.92	-7.98	0	278.283	2.321	1	4	6	COCC[C@@H](NC(=O)c1ccc(F)cn1)c1ccco1
192037972	ZINC000273086126	mid	3.72	-41.95	1	292.368	1.28	3	5	3	CC(C)[N@H+]1CCc2nc(NC(=O)c3cn[nH]n3)sc2C1
342596651	ZINC000616979329	ref	1.69	-11.17	0	277.324	1.673	1	4	4	CC[C@@H](C)N(CC)C(=O)c1cnc2c(c1)NC(=O)CO2
342596652	ZINC000616979050	ref	5.86	-8.25	0	250.346	1.767	1	4	4	CC[C@H](C)N(CC)C(=O)c1c(C)nc(N)nc1C
342596653	ZINC000590794908	ref	4.8	-16.42	0	299.396	1.029	0	5	4	O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
342596654	ZINC000590794908	low	5.51	-40.63	1	299.396	1.029	0	4	4	O=S(=O)(C[C@@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
342596655	ZINC000194565821	ref	3.65	-13.24	0	261.281	1.167	0	6	3	COc1ccc(=O)n(Cc2noc3c2CCCC3)n1
197594342	ZINC000290100208	ref	3.31	-63.01	1	282.315	0.699	1	3	4	CO[C@H](C[NH3+])C(=O)N1CCO[C@H](c2ccccc2F)C1
197594344	ZINC000290100208	high	3.1	-14.69	0	282.315	0.699	1	4	4	CO[C@H](CN)C(=O)N1CCO[C@H](c2ccccc2F)C1
192037973	ZINC000273086126	high	1.18	-39.01	-1	292.368	1.28	1	6	3	CC(C)N1CCc2nc(NC(=O)c3cnn[n-]3)sc2C1
192037975	ZINC000273086126	high	1.11	-38.92	-1	292.368	1.28	1	6	3	CC(C)N1CCc2nc(NC(=O)c3c[n-]nn3)sc2C1
342596656	ZINC000616979393	ref	3.12	-11.74	0	283.372	1.402	2	3	7	CC[C@@H](C)N(CC)C(=O)CCC[C@@]1(C)NC(=O)NC1=O
192037976	ZINC000273086126	high	1.28	-39.24	-1	292.368	1.28	1	6	3	CC(C)N1CCc2nc(NC(=O)c3cn[n-]n3)sc2C1
342596657	ZINC000616973201	ref	2.95	-16.72	0	287.146	1.541	2	2	3	O=C(Cc1c(Cl)cccc1Cl)N[C@H]1CCNC1=O
192037978	ZINC000273084625	ref	8.39	-6.84	0	264.268	3.133	0	3	5	Cc1cc(F)ccc1COC(=O)CSC(F)F
259308402	ZINC000186641964	ref	7.93	-9.59	0	238.331	2.433	0	4	5	Cc1ncn(CCCO[C@H]2CCCCO2)c1C
343994060	ZINC000625559202	high	0.82	-52.39	-1	247.341	1.611	0	4	5	C/C=C/C[N-]S(=O)(=O)c1sccc1OC
343994061	ZINC000625559072	ref	0.87	-9.03	0	241.316	0.827	2	4	4	C/C=C\CNS(=O)(=O)c1cc(C)cnc1N
398245636	ZINC000651436069	ref	4.67	-7.41	0	264.35	3.175	0	5	2	Cc1ccc(-c2noc(C3(C)CCOCC3)n2)s1
342080234	ZINC000625317267	ref	1.28	-8.75	0	253.302	1.5	2	5	5	OC[C@H](NCc1cnns1)c1cccc(F)c1
342080235	ZINC000625317267	low	2.51	-53.67	1	253.302	1.5	2	4	5	OC[C@H]([NH2+]Cc1cnns1)c1cccc(F)c1
342080236	ZINC000625317174	ref	6.37	-38.53	1	283.412	1.93	1	3	5	C1CC(OCC[NH+]2CCC([C@H]3CCOC3)CC2)CCO1
398245637	ZINC000651433257	ref	5.31	-6.11	0	267.413	3.013	2	2	4	CCC1(NC(=O)C2CCC(C(C)(C)O)CC2)CCC1
398245638	ZINC000651441782	ref	6.46	-12.62	0	293.75	3.337	0	3	3	COC[C@H]1CCCN1C(=O)c1coc2ccc(Cl)cc12
342080237	ZINC000625317174	high	4.09	-4.11	0	283.412	1.93	0	4	5	C1CC(OCCN2CCC([C@H]3CCOC3)CC2)CCO1
398245639	ZINC000651441066	ref	6.78	-9.87	0	293.75	3.337	0	3	3	COC[C@@H]1CCCN1C(=O)c1c(Cl)oc2ccccc12
342080238	ZINC000039435921	ref	3.54	-11.67	0	282.299	1.212	2	3	5	NC(=O)[C@@H](NC(=O)C(=O)c1ccccc1)c1ccccc1
342080239	ZINC000625317039	ref	-0.93	-7.82	0	269.341	1.223	3	5	8	COC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccco1
398245640	ZINC000651433141	ref	8.27	-9.38	0	295.81	3.329	0	2	5	CCOC[C@@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1
342080240	ZINC000625317039	mid	0.36	-38.94	1	269.341	1.223	3	4	8	COC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccco1
342080241	ZINC000625317111	ref	0.06	-43.49	1	283.343	1.115	4	3	7	OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1cccc(F)c1
342080242	ZINC000625317111	high	-1.08	-7.03	0	283.343	1.115	4	4	7	OC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1cccc(F)c1
342080243	ZINC000625317773	ref	2.6	-12.39	0	268.357	1.719	2	4	7	COC[C@H](NCC(=O)NCC(C)(C)C)c1ccco1
342080244	ZINC000625317773	low	3.91	-43.49	1	268.357	1.719	2	3	7	COC[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccco1
342080245	ZINC000625310745	ref	8.04	-41.37	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c(C)n1
342080246	ZINC000625310745	mid	7.27	-41.54	1	290.411	1.91	1	3	3	CCn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c(C)n1
342080247	ZINC000625310745	high	6.02	-13.55	0	290.411	1.91	0	4	3	CCn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c(C)n1
342080248	ZINC000618607436	ref	5.72	-10.0	0	269.295	1.923	1	3	4	CN(C)c1cc(C(=O)NC[C@]2(C)CC2(F)F)ccn1
342080249	ZINC000625310652	ref	2.53	-37.28	1	295.379	1.514	2	4	8	COc1ccccc1[C@H](CO)[NH2+]CCOC1CCOCC1
197594347	ZINC000162832017	ref	4.84	-57.07	-1	303.299	2.47	0	8	5	O=C([O-])c1ccncc1OCc1noc(-c2cccs2)n1
342596658	ZINC000590794683	ref	4.09	-13.15	0	259.371	1.37	0	3	4	O=S(=O)(C[C@H]1CCCO1)N1CCC[C@@H]1C1CC1
342596659	ZINC000616978982	ref	6.05	-15.45	0	268.279	1.702	1	2	6	CC[C@H](C)N(CC)C(=O)CC(=O)NCC(F)(F)F
342596660	ZINC000616978981	ref	5.93	-15.54	0	268.279	1.702	1	2	6	CC[C@@H](C)N(CC)C(=O)CC(=O)NCC(F)(F)F
342596661	ZINC000616979228	ref	6.89	-16.81	0	254.374	1.892	0	2	5	CCC(=O)N1CC[C@@H](C(=O)N(CC)[C@H](C)CC)C1
342596662	ZINC000616973202	ref	2.94	-16.72	0	287.146	1.541	2	2	3	O=C(Cc1c(Cl)cccc1Cl)N[C@@H]1CCNC1=O
342596663	ZINC000616973275	ref	5.31	-18.51	0	286.375	1.65	2	2	4	O=C1NCC[C@@H]1NC(=O)[C@H]1CCC[C@@H]1Cc1ccccc1
197594366	ZINC000162835803	ref	4.39	-12.42	0	316.401	1.136	2	3	4	O=C(NCC(=O)N1CCC[C@H](CO)C1)c1ccc2c(c1)CCC2
365638210	ZINC000336554516	mid	7.5	-43.31	1	296.455	2.382	1	2	2	CC(C)(C)C(=O)N1CC[N@@H+](C[C@H]2CCCOC2)C(C)(C)C1
365638216	ZINC000336554516	high	5.6	-7.67	0	296.455	2.382	0	3	2	CC(C)(C)C(=O)N1CCN(C[C@H]2CCCOC2)C(C)(C)C1
365638226	ZINC000336554583	ref	3.23	-11.19	0	295.408	2.165	3	3	3	C[C@H](NC(=O)N[C@@H]1CCC(=O)NC1(C)C)c1cccs1
365638234	ZINC000336554575	ref	3.23	-16.79	0	267.329	2.182	1	4	3	COC[C@@H]1CCCN(C(=O)Nc2nc(C)c(C)o2)C1
365638241	ZINC000336554438	ref	4.98	-13.6	0	273.361	2.111	1	4	2	C[C@H]1CSC[C@H]1NC(=O)c1ccc2nccnc2c1
365638250	ZINC000336554631	ref	6.2	-12.75	0	288.391	2.35	0	3	2	Cc1ncccc1CC(=O)N1CCC2(CCOCC2)[C@@H]1C
365638256	ZINC000336554800	ref	4.87	-6.47	0	260.341	2.444	0	5	3	Cc1noc(CN2CCCC[C@H]2c2cccn2C)n1
365638261	ZINC000336554800	low	6.11	-35.28	1	260.341	2.444	1	4	3	Cc1noc(C[N@H+]2CCCC[C@H]2c2cccn2C)n1
365638266	ZINC000336554800	low	7.08	-35.32	1	260.341	2.444	1	4	3	Cc1noc(C[N@@H+]2CCCC[C@H]2c2cccn2C)n1
342596664	ZINC000616973267	ref	1.87	-18.53	0	288.347	1.281	3	3	5	O=C(C[C@H](c1ccc(O)cc1)C1CC1)N[C@H]1CCNC1=O
197594371	ZINC000162828022	ref	7.3	-45.24	-1	312.307	2.204	0	9	6	CC(C)n1c(SCC(=O)[O-])nnc1-c1ccc([N+](=O)[O-])o1
342596665	ZINC000616980596	ref	3.71	-13.64	0	251.33	1.385	1	3	5	CC[C@@H](C)N(CC)C(=O)c1cc(C(N)=O)cn1C
342596666	ZINC000616980597	ref	3.84	-13.58	0	251.33	1.385	1	3	5	CC[C@H](C)N(CC)C(=O)c1cc(C(N)=O)cn1C
342596667	ZINC000616973283	ref	3.5	-16.37	0	250.342	1.518	2	2	4	C=CCC1(C(=O)N[C@@H]2CCNC2=O)CCCCC1
365638219	ZINC000576605245	ref	5.8	-42.81	1	230.377	1.338	2	2	5	CC[N@@H+]1CC[C@H](NC(=O)CSC(C)C)C1
365638228	ZINC000576605245	mid	5.82	-43.32	1	230.377	1.338	2	2	5	CC[N@H+]1CC[C@H](NC(=O)CSC(C)C)C1
365638232	ZINC000576605245	high	3.35	-8.08	0	230.377	1.338	1	3	5	CCN1CC[C@H](NC(=O)CSC(C)C)C1
178303603	ZINC000237240567	mid	4.82	-12.74	0	355.438	1.834	3	4	10	COCCNCC(=O)Nc1ccccc1C(=O)NCCc1ccccc1
178303606	ZINC000237243150	ref	4.99	-40.53	1	354.472	1.315	1	4	7	C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)CS(=O)(=O)c1ccc(OC)cc1
178303608	ZINC000237230736	ref	4.36	-52.68	1	352.482	1.791	2	3	6	CN1CCN([C@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)c2ccccc2)CC1
230732305	ZINC000450421379	ref	2.96	-14.6	0	322.405	1.874	2	4	10	CCC(CC)Oc1ccc(C(=O)N[C@@H](CCOC)C(N)=O)cc1
230732309	ZINC000450418991	ref	6.72	-13.96	0	303.41	1.88	2	6	7	C[C@@H]1C[C@@H]1c1nnc2ccc(NCC(C)(C)CCCO)nn12
342080250	ZINC000625310652	mid	1.23	-7.6	0	295.379	1.514	2	5	8	COc1ccccc1[C@H](CO)NCCOC1CCOCC1
178303613	ZINC000237230736	mid	6.72	-95.8	2	352.482	1.791	3	2	6	C[NH+]1CCN([C@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)c2ccccc2)CC1
178303616	ZINC000237230736	high	3.91	-7.3	0	352.482	1.791	2	4	6	CN1CCN([C@H](C(=O)NC[C@@H](N)c2ccccc2)c2ccccc2)CC1
178303618	ZINC000237233054	ref	6.18	-52.94	1	359.47	1.426	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1
365638242	ZINC000175979060	ref	0.52	-8.78	0	227.304	0.665	2	3	1	C[C@@]1(O)CCN(C(=O)C2(O)CCCCC2)C1
365638246	ZINC000576601208	ref	4.22	-7.92	0	214.284	1.834	2	1	4	O=C(NCCCF)N[C@@H]1CCC[C@@H]2C[C@@H]21
365638254	ZINC000576605195	ref	6.63	-13.34	0	244.298	1.867	1	4	4	CCc1nccn1Cc1cc(=O)[nH]c(C2CC2)n1
178303622	ZINC000237223432	ref	4.83	-43.8	1	362.474	1.356	3	4	10	COCC[NH2+]CC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1
365638263	ZINC000576605195	mid	6.77	-35.21	1	244.298	1.867	1	3	4	CCc1[nH+]ccn1Cc1cc(=O)[nH]c(C2CC2)n1
365638269	ZINC000576605195	high	5.48	-44.09	-1	244.298	1.867	0	4	4	CCc1nccn1Cc1cc(=O)[n-]c(C2CC2)n1
365638280	ZINC000576604066	ref	6.02	-31.17	1	241.375	2.35	1	2	7	C[C@@H]([NH2+]CCOCC1CCC1)[C@]1(C)CCCO1
365638290	ZINC000576600238	ref	6.44	-41.61	1	249.28	2.549	1	2	5	CC[C@H](CC(F)(F)F)[NH2+]Cc1cnc(C)n1C
365638298	ZINC000576600238	low	6.92	-95.75	2	249.28	2.549	1	1	5	CC[C@H](CC(F)(F)F)[NH2+]Cc1c[nH+]c(C)n1C
365638306	ZINC000576600238	high	5.93	-9.89	0	249.28	2.549	1	3	5	CC[C@H](CC(F)(F)F)NCc1cnc(C)n1C
210256882	ZINC000004710025	mid	7.05	-14.26	0	343.408	2.655	2	6	5	COc1ccc(-n2c([C@H](O)c3ccccc3)n[nH]c2=S)cc1OC
214187348	ZINC000278488699	ref	3.99	-8.34	0	308.378	1.48	2	4	4	COc1cc(C)c(NC(=O)C(=O)N(C)CC(C)(C)O)cc1C
214187351	ZINC000278487362	ref	7.7	-15.44	0	303.347	1.057	0	6	2	Cc1cc(S(=O)(=O)N2CCCn3ncnc32)ccc1C#N
210256885	ZINC000004714853	ref	11.49	-10.39	0	342.225	5.955	1	2	4	O=C(C=CNc1ccc(Cl)c(Cl)c1)c1cccc2ccccc12
185089182	ZINC000096075955	mid	2.2	-12.79	0	289.379	1.327	0	4	4	COCCN1CC[C@]12CCN(C(=O)c1ccc(C)nc1)C2
210256892	ZINC000004711989	ref	4.8	-12.46	0	330.494	1.989	1	3	4	CCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C1
342596668	ZINC000616973256	ref	3.88	-15.91	0	252.358	1.764	2	2	6	CC(C)=CCC[C@H](C)CC(=O)N[C@@H]1CCNC1=O
365638222	ZINC000623070857	ref	4.1	-96.67	2	300.353	1.852	4	1	7	C[NH+](C)Cc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1
365638227	ZINC000623070857	high	1.62	-52.62	1	300.353	1.852	3	2	7	CN(C)Cc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1
210256895	ZINC000004714235	ref	10.19	-9.77	0	329.355	3.687	0	3	3	CCN1C(=O)c2cccc3c(C(=O)c4ccccc4)ccc(c23)C1=O
342596669	ZINC000590795652	ref	4.85	-13.27	0	292.364	1.304	0	5	3	O=S(=O)(c1cccnc1)N1CCC[C@@H](n2ccnc2)C1
342596670	ZINC000590795652	low	5.55	-40.69	1	292.364	1.304	0	4	3	O=S(=O)(c1cccnc1)N1CCC[C@@H](n2cc[nH+]c2)C1
210256899	ZINC000004713545	ref	8.87	-9.51	0	334.4	4.478	1	4	3	O=C1S[C@@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1
365638235	ZINC000623070353	ref	3.79	-53.9	1	318.356	1.745	2	4	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)nn1
185089184	ZINC000096075818	ref	6.78	-52.63	1	278.421	2.771	1	2	3	CN1C(=O)CCC12CCC([NH2+]Cc1ccsc1)CC2
282123060	ZINC000116784199	ref	5.33	-42.99	1	345.403	-0.029	1	6	5	C[NH+](C)C[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1
282123061	ZINC000116784199	high	2.77	-13.06	0	345.403	-0.029	0	7	5	CN(C)C[C@@H]1CN(C(=O)CCn2nnc3ccccc3c2=O)CCO1
214187354	ZINC000278488624	ref	7.45	-11.37	0	320.845	3.292	1	3	5	O=C1[C@H](NCc2sccc2Cl)CCN1Cc1ccccc1
342596671	ZINC000616979268	ref	0.6	-46.52	-1	265.298	1.098	2	5	2	O=C(Nc1nc2c(s1)CCCC2)c1n[nH]c(=O)[n-]1
349535198	ZINC000594970013	ref	7.62	-50.52	1	258.365	2.81	1	2	4	CC(C)([NH2+]CC1CCOCC1)c1cccc(C#N)c1
178303614	ZINC000070165955	ref	6.77	-55.37	1	232.331	2.173	1	3	5	Cc1cc2ncc(C[NH2+]CCC(C)C)cn2n1
230732308	ZINC000414312038	ref	6.05	-11.65	0	302.374	3.301	1	4	6	CCOc1cc(C(=O)N(C)C)ccc1NCc1ccoc1C
185089186	ZINC000096076211	ref	7.94	-33.92	1	292.383	0.605	1	4	1	Cn1cnc(C(=O)N2CCC[C@@]3(COCC[N@H+](C)C3)C2)c1
365638224	ZINC000617442475	ref	5.1	-27.95	0	283.295	0.985	2	6	2	C[C@H]1C[C@H](NC(=O)c2ccnc3[nH]cnc23)c2ncnn21
192037939	ZINC000418462404	ref	5.0	-52.21	1	241.379	1.945	2	1	6	CCCCN(CC)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]
178303619	ZINC000013998167	ref	5.91	-45.77	1	229.327	2.647	2	1	1	Cc1cc2nc([C@@H]3CCC[NH2+]C3)[nH]c2cc1C
282123062	ZINC000457576494	ref	8.28	-83.95	2	309.454	1.04	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCO1
178303626	ZINC000013998167	low	6.36	-97.86	2	229.327	2.647	2	0	1	Cc1cc2[nH]c([C@@H]3CCC[NH2+]C3)[nH+]c2cc1C
214187356	ZINC000278488624	mid	8.68	-41.72	1	320.845	3.292	1	2	5	O=C1[C@H]([NH2+]Cc2sccc2Cl)CCN1Cc1ccccc1
398245641	ZINC000651440465	ref	4.36	-8.82	0	294.395	3.415	0	5	3	COC1CCC(c2nc([C@@H]3CCOC(C)(C)C3)no2)CC1
192037941	ZINC000418463129	ref	2.01	-51.87	1	243.351	0.648	2	2	4	CC(C)[C@@H]1CN(C(=O)NC[C@H](C)C[NH3+])CCO1
178303631	ZINC000098177934	ref	4.45	-4.32	0	213.067	3.245	0	2	0	Cc1cc2ncc(Cl)nc2cc1Cl
178303634	ZINC000054334386	ref	3.82	-51.41	1	203.289	2.242	2	1	2	Cc1cc2nc([C@H](C)C[NH3+])[nH]c2cc1C
185089187	ZINC000096076211	mid	7.91	-39.32	1	292.383	0.605	1	4	1	Cn1cnc(C(=O)N2CCC[C@@]3(COCC[N@@H+](C)C3)C2)c1
178303638	ZINC000054334386	low	4.26	-103.66	2	203.289	2.242	2	0	2	Cc1cc2[nH]c([C@H](C)C[NH3+])[nH+]c2cc1C
178303641	ZINC000035601487	ref	3.15	-52.32	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)O)c(C)n2n1
178303643	ZINC000035601487	high	1.91	-11.38	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@@H](C)NC[C@H](C)O)c(C)n2n1
178303646	ZINC000035602264	ref	3.01	-47.68	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@H](C)[NH2+][C@H](C)CO)c(C)n2n1
178303647	ZINC000035602264	high	1.9	-9.37	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@H](C)N[C@H](C)CO)c(C)n2n1
178303650	ZINC000051847833	ref	7.03	-55.47	-1	230.267	2.368	1	3	2	Cc1cc2nc([C@H]3C[C@H]3C(=O)[O-])[nH]c2cc1C
178303653	ZINC000051847833	low	7.96	-32.64	0	230.267	2.368	1	2	2	Cc1cc2[nH]c([C@H]3C[C@H]3C(=O)[O-])[nH+]c2cc1C
192037943	ZINC000418464106	ref	3.52	-50.66	1	227.352	1.411	2	1	3	C[C@H]1CC[C@@H](C)N(C(=O)NC[C@H](C)C[NH3+])C1
259308408	ZINC000186641964	mid	8.39	-30.61	1	238.331	2.433	0	3	5	Cc1[nH+]cn(CCCO[C@H]2CCCCO2)c1C
349535203	ZINC000621243314	low	6.48	-47.86	1	250.733	2.1	1	3	4	Cn1cc(C[N@@H+](C)Cc2cncc(Cl)c2)cn1
349535207	ZINC000621241912	ref	7.17	-59.07	-1	277.311	2.429	1	3	8	CCC(CC)(CC(=O)NCC[C@H]1CC1(F)F)C(=O)[O-]
398245642	ZINC000651444944	ref	9.28	-14.12	0	291.439	3.237	1	3	8	CCCC[C@@H](CCC)NC(=O)Cc1cn2c(n1)CCCC2
349535211	ZINC000621242261	ref	8.01	-54.05	-1	284.315	2.267	0	5	2	O=C([O-])c1c(-c2ccc3c(c2)CCC3)nc2n1CCOC2
342080251	ZINC000625317422	ref	1.68	-10.52	0	294.395	1.48	3	4	7	COc1ccccc1[C@H](CO)NCC(=O)NCC(C)(C)C
349535214	ZINC000621243017	ref	2.25	-7.21	0	287.182	2.275	2	3	3	OCCCN=c1[nH]c2c(Br)cccc2s1
349535218	ZINC000621242809	ref	3.56	-10.21	0	297.358	2.111	1	4	5	CCOc1cncc([C@@H]2NC(=O)CN2Cc2ccccc2)c1
349535221	ZINC000621241902	ref	5.71	-37.33	1	252.383	2.313	2	2	6	CC(C)[NH2+]CC(=O)N[C@H](c1cccs1)C1CC1
342080252	ZINC000625317422	mid	2.9	-40.02	1	294.395	1.48	3	3	7	COc1ccccc1[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C
349535224	ZINC000621241902	high	4.51	-5.23	0	252.383	2.313	2	3	6	CC(C)NCC(=O)N[C@H](c1cccs1)C1CC1
190493945	ZINC000269436040	ref	4.9	-11.81	0	282.409	2.295	1	4	5	CCN(CCO)C(=O)/C=C/c1cnc(C(C)(C)C)s1
349535228	ZINC000621242291	ref	7.3	-54.05	-1	272.304	2.395	0	5	2	Cc1ccc(-c2nc3n(c2C(=O)[O-])CCOC3)cc1C
342080253	ZINC000625317175	ref	6.24	-37.75	1	283.412	1.93	1	3	5	C1CC(OCC[NH+]2CCC([C@@H]3CCOC3)CC2)CCO1
349535232	ZINC000621242616	ref	4.68	-6.14	0	282.434	2.246	1	4	3	CCCc1ccc([C@H]2NC(=O)[C@H]3CSCCN32)s1
342080254	ZINC000625317175	high	3.98	-4.41	0	283.412	1.93	0	4	5	C1CC(OCCN2CCC([C@@H]3CCOC3)CC2)CCO1
398245643	ZINC000651444944	low	9.56	-29.38	1	291.439	3.237	1	2	8	CCCC[C@@H](CCC)NC(=O)Cc1cn2c([nH+]1)CCCC2
349535235	ZINC000621243595	ref	6.22	-42.37	-1	279.315	2.06	0	4	7	CCOCCCN=c1nc(Cc2ccc(F)cc2)o[n-]1
342080255	ZINC000625310098	ref	8.51	-13.9	0	284.31	1.836	0	4	2	O=C(CC1CCC(F)(F)CC1)N1CCn2cnnc2C1
342080256	ZINC000625317852	ref	8.76	-44.72	1	284.363	1.563	1	3	1	Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c2nccn2c1
342080257	ZINC000625317852	mid	8.29	-48.0	1	284.363	1.563	1	3	1	Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c2nccn2c1
342080258	ZINC000625317852	high	6.51	-16.05	0	284.363	1.563	0	4	1	Cc1cc(C(=O)N2CCN3CCC[C@H]3C2)c2nccn2c1
342080259	ZINC000625309503	ref	-0.46	-8.47	0	277.299	1.447	2	5	6	COc1cncc(CN[C@@H](CO)c2cccc(F)c2)n1
361823541	ZINC000351629867	ref	3.56	-14.69	0	298.427	1.692	2	3	7	CCCC(=O)N1CCC[C@@H](C(=O)N[C@@](C)(CC)CCO)C1
343994062	ZINC000625559073	ref	0.96	-9.11	0	241.316	0.827	2	4	4	C/C=C/CNS(=O)(=O)c1cc(C)cnc1N
361823548	ZINC000351631102	ref	5.23	-37.26	1	258.387	1.936	1	4	9	CCOCCOCC[N@H+](C)Cc1scnc1C
342080260	ZINC000625309503	low	0.65	-47.5	1	277.299	1.447	2	4	6	COc1cncc(C[NH2+][C@@H](CO)c2cccc(F)c2)n1
190597607	ZINC000270095353	ref	4.23	-13.77	0	265.357	1.457	2	4	5	Cc1nn(C)cc1[C@H](C)NC(=O)C[C@](C)(O)C1CC1
342080261	ZINC000625317772	ref	2.71	-12.57	0	268.357	1.719	2	4	7	COC[C@@H](NCC(=O)NCC(C)(C)C)c1ccco1
197594370	ZINC000290098178	ref	5.96	-15.03	0	297.358	2.252	0	4	4	COC[C@H]1CCN(C(=O)c2cnnc(-c3ccccc3)c2)C1
361823552	ZINC000351631102	mid	4.93	-37.86	1	258.387	1.936	1	4	9	CCOCCOCC[N@@H+](C)Cc1scnc1C
192037945	ZINC000418463183	ref	5.57	-45.65	1	241.379	1.816	2	1	7	CCC[NH2+]CCNC(=O)N(C)[C@@H](C)C1(C)CC1
192037946	ZINC000418464609	ref	1.22	-51.06	1	229.324	0.4	2	2	5	CO[C@@H]1C[C@H](N(C)C(=O)NC[C@H](C)C[NH3+])C1
361823555	ZINC000351631102	mid	2.52	-6.92	0	258.387	1.936	0	5	9	CCOCCOCCN(C)Cc1scnc1C
192037947	ZINC000418429934	ref	4.34	-49.03	1	241.379	1.944	2	1	5	CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC1(C)C
192037948	ZINC000418465050	ref	-1.09	-52.79	1	228.34	-0.025	4	1	5	C[NH+](C)CCNC(=O)N[C@H]1CCC[C@@H]1C[NH3+]
214187359	ZINC000278487619	ref	4.94	-13.18	0	302.33	2.151	0	6	6	CN(CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccon1
361823562	ZINC000351630182	ref	2.98	-15.46	0	270.329	1.879	0	6	9	COCCOCc1noc(C(C)(C)CCC(C)=O)n1
342080262	ZINC000625317772	low	3.91	-43.55	1	268.357	1.719	2	3	7	COC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1ccco1
342080263	ZINC000064320026	ref	5.35	-10.87	0	252.314	1.79	0	4	4	CCN(C[C@@H]1CCOC1)C(=O)c1c(C)noc1C
342080264	ZINC000625317572	ref	4.23	-13.25	0	294.273	1.23	1	3	6	C[C@H](CC(=O)NCCCN1C(=O)CCC1=O)C(F)(F)F
361823571	ZINC000351631340	ref	2.9	-18.08	0	276.336	1.27	2	4	7	COC[C@@](C)(CCO)NC(=O)c1ccc(CC#N)cc1
361823579	ZINC000351630813	ref	3.77	-9.73	0	296.411	1.126	0	4	4	O=C(C[C@H]1CCOC1)N1CCCC[C@H]1CN1CCOCC1
361823585	ZINC000351630813	mid	5.71	-34.54	1	296.411	1.126	1	3	4	O=C(C[C@H]1CCOC1)N1CCCC[C@H]1C[NH+]1CCOCC1
361823590	ZINC000351631181	ref	1.13	-14.05	0	294.38	1.057	3	5	6	Cn1ccc(CCNC(=O)N[C@H](CO)c2ccsc2)n1
361823596	ZINC000351631383	ref	4.14	-8.99	0	298.427	1.419	1	4	6	CCN1CCO[C@H](C(=O)NCCO[C@H]2CCCC[C@@H]2C)C1
343994063	ZINC000129391595	ref	2.09	-45.47	1	224.308	0.373	2	3	6	CC[C@@H]([NH3+])C(=O)NC[C@H](C)Cn1cccn1
365638225	ZINC000123510701	ref	4.02	-9.31	0	267.35	2.064	1	4	2	O=C(N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccco1
342080265	ZINC000625317975	ref	0.52	-43.89	1	299.798	1.629	4	3	7	OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
365638237	ZINC000123491139	ref	3.38	-14.1	0	263.322	2.499	0	5	2	O=C(c1ccsc1)N1CCCC[C@H]1c1ncon1
168364879	ZINC000368495361	ref	6.99	-10.42	0	348.491	3.006	2	4	8	CCOCCC1(CNC(=O)NCc2cnc3n2CCCC3)CCCC1
168364883	ZINC000368495361	mid	7.46	-34.3	1	348.491	3.006	2	3	8	CCOCCC1(CNC(=O)NCc2c[nH+]c3n2CCCC3)CCCC1
168364884	ZINC000368499277	ref	6.32	-52.81	1	328.412	3.149	2	3	5	COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)oc12
342080266	ZINC000625317975	high	-0.76	-6.76	0	299.798	1.629	4	4	7	OC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
342080267	ZINC000625317642	ref	9.6	-44.08	1	282.387	1.879	1	1	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CC[N@@H+]2CCC[C@@H]2C1
342080268	ZINC000625317642	mid	10.05	-42.18	1	282.387	1.879	1	1	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CC[N@H+]2CCC[C@@H]2C1
342080269	ZINC000625317642	high	7.94	-8.62	0	282.387	1.879	0	2	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCN2CCC[C@@H]2C1
365638245	ZINC000123516154	ref	6.15	-11.05	0	291.395	2.451	0	4	5	CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cnc(C)cn1
342080270	ZINC000625317647	ref	10.03	-42.04	1	282.387	1.879	1	1	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CC[N@@H+]2CCC[C@H]2C1
342080271	ZINC000625317647	mid	9.58	-43.97	1	282.387	1.879	1	1	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CC[N@H+]2CCC[C@H]2C1
342080272	ZINC000625317647	high	7.8	-8.59	0	282.387	1.879	0	2	1	O=C([C@H]1[C@H]2c3ccccc3C[C@H]21)N1CCN2CCC[C@H]2C1
343994064	ZINC000129391595	high	1.79	-8.49	0	224.308	0.373	2	4	6	CC[C@@H](N)C(=O)NC[C@H](C)Cn1cccn1
365638260	ZINC000123447467	ref	7.65	-16.54	0	283.784	2.478	0	4	4	C[C@H](c1ccc(Cl)cc1)[S@@](=O)Cc1nncn1C
282123063	ZINC000457576494	high	5.83	-40.97	1	309.454	1.04	1	3	4	CN(C)C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCO1
282123064	ZINC000183122515	ref	8.16	-37.55	1	336.398	2.534	1	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CCO1
365638274	ZINC000123456579	ref	4.42	-7.58	0	287.367	2.302	0	6	4	CC(C)Oc1cncc(N2CCC[C@@H](n3cccn3)C2)n1
290622741	ZINC000334248496	ref	5.62	-11.47	0	261.321	2.376	1	3	2	C[C@H]1CC[C@@H]1NC(=O)c1ccc2c(c1)OCCCO2
214187361	ZINC000278487619	low	7.09	-48.59	1	302.33	2.151	1	5	6	C[N@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccon1
343994065	ZINC000625559218	ref	7.76	-33.38	1	225.376	2.97	1	1	8	CCO[C@H](C[NH2+]C1(CC(C)C)CC1)C1CC1
349535204	ZINC000594968600	ref	6.47	-11.93	0	283.379	2.756	1	5	5	CC(C)n1cc(CNC(C)(C)c2cccc(C#N)c2)nn1
349535208	ZINC000594968600	mid	7.57	-50.18	1	283.379	2.756	1	4	5	CC(C)n1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1
349535212	ZINC000594969651	ref	8.03	-38.87	1	265.426	2.618	1	3	8	C=CCCSCC[NH2+]Cc1cc2n(n1)CCCC2
290622743	ZINC000492522972	ref	3.2	-20.07	0	297.358	2.018	2	3	5	CC(C)(CC(N)=O)NC(=O)/C=C\c1ccnc2ccccc12
192037949	ZINC000418465050	high	-1.09	-52.79	1	228.34	-0.025	3	2	5	CN(C)CCNC(=O)N[C@H]1CCC[C@@H]1C[NH3+]
190493955	ZINC000269430662	ref	9.09	-12.55	0	270.38	3.393	1	4	4	Cc1nnc(-c2cccc(NCC3CCCC3)c2)n1C
185089189	ZINC000096076211	high	6.04	-12.67	0	292.383	0.605	0	5	1	CN1CCOC[C@@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1
282123065	ZINC000183122515	high	5.71	-8.04	0	336.398	2.534	0	3	4	CN(C)C[C@@H]1CN(C(=O)CC2CCC(C(F)(F)F)CC2)CCO1
282123066	ZINC000116789414	ref	4.8	-39.35	1	337.386	1.05	1	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)CCO1
214187363	ZINC000278487619	low	7.27	-48.83	1	302.33	2.151	1	5	6	C[N@@H+](CCC(=O)c1ccc2c(c1)OCCO2)Cc1ccon1
185089195	ZINC000096078746	ref	4.61	-43.43	1	254.374	2.272	1	2	2	F[C@H]1CC[NH2+]C[C@]12CCN(Cc1ccsc1)C2
349535219	ZINC000594969651	mid	6.67	-6.01	0	265.426	2.618	1	4	8	C=CCCSCCNCc1cc2n(n1)CCCC2
192037950	ZINC000418461605	ref	4.38	-51.62	1	247.408	1.364	2	2	7	CC[C@H](CSC)N(C)C(=O)NC[C@@H](C)C[NH3+]
349535223	ZINC000594968624	ref	8.36	-50.56	1	268.364	2.8	1	3	5	CCn1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cn1
190493958	ZINC000269435752	ref	8.02	-46.68	1	288.395	2.127	2	3	6	C=CCCC(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1
192037951	ZINC000418461866	ref	5.08	-52.24	1	249.358	1.465	2	1	6	C[C@@H](C[NH3+])CNC(=O)N(C)CCc1ccccc1
365638229	ZINC000641602158	ref	5.23	-11.08	0	263.312	1.913	1	2	3	C[C@H](CC(=O)N1C[C@H]2C[C@@]2(O)C1)c1cccc(F)c1
349535226	ZINC000594968624	mid	7.26	-8.8	0	268.364	2.8	1	4	5	CCn1cc(CNC(C)(C)c2cccc(C#N)c2)cn1
349535230	ZINC000594968577	ref	8.46	-50.94	1	266.385	2.646	1	3	7	CC[C@@H](C)CC[NH2+]Cc1cc(C(=O)OC)c(C)n1C
192037952	ZINC000418429357	ref	1.26	-50.13	1	243.351	0.934	2	2	5	CCC([NH3+])(CC)CNC(=O)N1CC(C)(OC)C1
210256811	ZINC000019523420	ref	6.25	-13.47	0	380.496	2.461	0	6	4	CCc1ncc(CN2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cn1
210256818	ZINC000019524985	ref	3.47	-13.6	0	380.518	1.495	0	7	6	CCn1cc(CN2CCN(S(=O)(=O)c3cn(C(C)C)nc3C)CC2)cn1
210256827	ZINC000019523379	ref	4.14	-13.58	0	394.928	2.871	0	6	5	CCc1ncc(CN2CCC[C@@H](c3ncc(Cl)cc3S(C)(=O)=O)C2)cn1
342596672	ZINC000616979394	ref	3.16	-11.82	0	283.372	1.402	2	3	7	CC[C@@H](C)N(CC)C(=O)CCC[C@]1(C)NC(=O)NC1=O
349535206	ZINC000602431721	mid	10.28	-44.98	1	230.355	3.367	1	1	6	Cc1ccccc1C[N@H+](C)C[C@H](C)CCC#N
210256833	ZINC000019522608	ref	8.76	-15.61	0	393.438	3.285	1	6	4	CCc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C)cc4N3)C2)no1
365638233	ZINC000641605097	ref	2.64	-12.54	0	298.408	1.277	1	4	5	Cc1ccncc1CCNS(=O)(=O)[C@H]1CCOC[C@@H]1C
255763875	ZINC000121485474	ref	7.8	-16.17	0	337.354	2.439	1	4	4	Cn1cc(C(=O)N[C@@H](c2cccc(F)c2)c2ccccn2)ccc1=O
210256848	ZINC000019524629	ref	6.99	-20.41	0	392.529	2.098	0	7	4	CCn1cc(S(=O)(=O)N2CCC(c3nnc4n3CCCCC4)CC2)c(C)n1
210256852	ZINC000019523864	ref	7.29	-15.07	0	381.48	3.281	2	5	8	CCn1nc(C)c(-c2cc(C(=O)NCCCc3ccc(OC)cc3)[nH]n2)c1C
210256860	ZINC000019525015	ref	7.21	-16.06	0	393.538	2.797	0	7	4	CCn1cc(S(=O)(=O)N2CCC(c3nc(C)n4c(C)csc34)CC2)cn1
210256867	ZINC000019525015	low	7.62	-38.6	1	393.538	2.797	0	6	4	CCn1cc(S(=O)(=O)N2CCC(c3[nH+]c(C)n4c(C)csc34)CC2)cn1
342596673	ZINC000590795061	ref	5.59	-12.73	0	297.405	1.97	0	5	3	O=S(=O)(c1cccs1)N1CCC[C@H](n2ccnc2)C1
342596674	ZINC000590795061	low	6.3	-39.28	1	297.405	1.97	0	4	3	O=S(=O)(c1cccs1)N1CCC[C@H](n2cc[nH+]c2)C1
197594382	ZINC000162828532	ref	7.07	-16.34	0	316.445	3.294	2	2	6	CC(C)CC(=O)NCCC(=O)N[C@@H]1CC[C@H](C)c2ccccc21
178303623	ZINC000237223432	high	3.49	-18.0	0	362.474	1.356	3	5	10	COCCNCC(=O)N[C@H](C)CC(=O)Nc1cccc(N2CCCC2)c1
349535209	ZINC000602430155	ref	9.05	-47.4	1	247.346	1.682	1	4	6	C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1Cn1cncn1
349535213	ZINC000602430155	mid	10.23	-47.51	1	247.346	1.682	1	4	6	C[C@@H](CCC#N)C[N@H+]1CCC[C@@H]1Cn1cncn1
349535215	ZINC000602430725	ref	3.51	-36.75	1	230.308	0.298	2	3	6	CC[NH2+][C@H](C)C(=O)N[C@H](C(=O)OC)C(C)C
349535216	ZINC000602430725	high	2.28	-5.22	0	230.308	0.298	2	4	6	CCN[C@H](C)C(=O)N[C@H](C(=O)OC)C(C)C
365638236	ZINC000617440526	ref	6.02	-45.79	1	265.361	0.986	2	4	4	CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)[NH+](C)C
398245644	ZINC000651444001	ref	5.94	-33.5	1	267.8	3.466	2	1	4	CC[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[C@@H](C)O
365638243	ZINC000617440526	high	4.21	-13.86	0	265.361	0.986	1	5	4	CC(C)[C@@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)N(C)C
365638251	ZINC000617440277	ref	4.18	-31.25	0	290.331	0.21	1	8	4	CC(C)c1nnnn1CC(=O)N[C@H]1C[C@H](C)n2ncnc21
365638258	ZINC000617442097	ref	5.12	-19.43	0	250.302	0.969	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)c2ncnn21
365638267	ZINC000617441707	ref	4.54	-18.04	0	264.329	0.951	2	5	4	C[C@@H]1C[C@H](NC(=O)C[C@](C)(O)C2CC2)c2ncnn21
342596675	ZINC000616979051	ref	4.89	-20.95	0	261.387	1.601	0	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCCCS1(=O)=O
342596676	ZINC000616973261	ref	3.0	-17.02	0	288.347	1.159	2	3	3	O=C1NCC[C@H]1NC(=O)[C@@H]1CCCO[C@H]1c1ccccc1
365638277	ZINC000617442174	ref	3.32	-16.99	0	293.371	0.368	1	6	4	C[C@H]1C[C@@H](NC(=O)[C@H](C)CN2CCOCC2)c2ncnn21
365638288	ZINC000617442174	mid	5.19	-48.26	1	293.371	0.368	2	5	4	C[C@H]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)c2ncnn21
365638295	ZINC000617440275	ref	4.16	-30.21	0	290.331	0.21	1	8	4	CC(C)c1nnnn1CC(=O)N[C@H]1C[C@@H](C)n2ncnc21
365638299	ZINC000617440278	ref	4.18	-27.4	0	290.331	0.21	1	8	4	CC(C)c1nnnn1CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365638313	ZINC000617441426	ref	3.76	-17.8	0	252.318	0.807	2	5	4	CC[C@H](C)[C@H](O)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365638331	ZINC000617439810	ref	3.15	-19.64	0	279.344	0.121	1	6	3	CCN1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)C1
365638341	ZINC000617439810	mid	5.57	-59.65	1	279.344	0.121	2	5	3	CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)C1
365638345	ZINC000617439810	mid	5.4	-55.34	1	279.344	0.121	2	5	3	CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)C1
398245645	ZINC000651431866	ref	6.89	-9.39	0	280.422	3.222	0	6	4	Cn1cc(CSc2nc(C3CCCC3)ns2)cn1
398245646	ZINC000651431332	ref	5.68	-27.86	1	284.403	3.388	1	2	3	Cc1cc(N2CCC([C@@H](C)CO)CC2)c2ccccc2[nH+]1
365638353	ZINC000617442106	ref	4.0	-17.03	0	275.316	0.715	1	7	4	CCCn1cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)nn1
365638360	ZINC000617439912	ref	5.51	-44.46	1	251.334	0.74	2	4	4	CC[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)[NH+](C)C
259308411	ZINC000322971900	ref	6.83	-38.69	1	221.344	2.9	1	1	6	CC[C@@](C)(C[NH2+]Cc1ccccc1C)OC
342596677	ZINC000616979476	ref	3.64	-16.13	0	278.418	1.353	1	3	9	CCCCS(=O)(=O)NCC(=O)N(CC)[C@H](C)CC
192037953	ZINC000418465678	ref	1.02	-53.34	1	243.351	0.526	3	2	6	C[C@@H](C[NH3+])CNC(=O)N(CC(C)(C)O)C1CC1
192037954	ZINC000418462234	ref	2.56	-40.53	1	217.288	0.867	2	1	5	CCCC[C@@H](C[NH3+])NC(=O)N1CC(F)C1
136229326	ZINC000293346740	ref	4.42	-8.48	0	248.326	2.309	1	3	6	C=C(C)C[C@H](C)C(=O)NCc1cnccc1OC
185089196	ZINC000096078746	mid	7.05	-104.85	2	254.374	2.272	2	1	2	F[C@H]1CC[NH2+]C[C@]12CC[N@H+](Cc1ccsc1)C2
192037955	ZINC000418431022	ref	4.51	-48.4	1	243.395	2.191	2	1	7	CC[C@@H](C)CN(C)C(=O)NCC([NH3+])(CC)CC
365638239	ZINC000623070353	high	3.39	-15.89	0	318.356	1.745	2	5	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3ccccc3F)C2)nn1
282123067	ZINC000116789414	high	2.39	-8.5	0	337.386	1.05	0	4	4	CN(C)C[C@@H]1CN(C(=O)C2CCN(CC(F)(F)F)CC2)CCO1
365639482	ZINC000123574884	mid	6.91	-39.35	1	265.382	2.346	2	3	3	C[C@@H](C(=O)Nc1nccs1)[N@H+]1CCC2(CCC2)C1
185089197	ZINC000096078746	mid	7.07	-106.3	2	254.374	2.272	2	1	2	F[C@H]1CC[NH2+]C[C@]12CC[N@@H+](Cc1ccsc1)C2
192037956	ZINC000418464114	ref	2.28	-51.5	1	243.351	0.528	3	2	5	CC[C@]1(CO)CCCN1C(=O)NC[C@H](C)C[NH3+]
343994066	ZINC000625559246	ref	2.82	-7.32	0	232.349	1.127	1	2	6	C/C=C/CNS(=O)(=O)N(C)[C@H](C)C1CC1
343994067	ZINC000129383108	ref	5.85	-9.45	0	207.273	2.221	0	2	2	C[C@H]1CC[C@H](C)N1C(=O)Cc1ccoc1
136229327	ZINC000293346740	low	4.87	-41.02	1	248.326	2.309	1	2	6	C=C(C)C[C@H](C)C(=O)NCc1c[nH+]ccc1OC
192037957	ZINC000418429716	ref	3.91	-48.34	1	241.379	1.944	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CC[C@H](C)[C@@H]1C
192037958	ZINC000418465683	ref	4.36	-91.12	2	244.383	0.564	3	1	8	CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)C[NH3+]
192037960	ZINC000418465100	ref	4.26	-57.47	1	239.363	1.555	2	1	3	CC[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1
185089199	ZINC000096078546	ref	5.25	-44.78	1	281.356	-0.017	2	5	4	OCC[N@@H+]1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1
192037962	ZINC000418463027	ref	1.38	-54.52	1	243.351	0.528	3	2	6	CCCN(CCO)C(=O)N[C@H]1CCC[C@@H]1C[NH3+]
192037964	ZINC000418464281	ref	3.11	-51.1	1	227.352	1.411	2	1	4	CC[C@@H]1[C@H](C)CCN1C(=O)NC[C@@H](C)C[NH3+]
192037966	ZINC000418465682	ref	4.36	-90.43	2	244.383	0.564	3	1	8	CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)C[NH3+]
214187365	ZINC000293611466	ref	-0.42	-17.86	0	366.374	0.354	3	5	4	N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@]23NC(=O)NC3=O)cc1F
192037967	ZINC000418432051	ref	3.36	-49.52	1	245.342	1.647	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CC[C@](C)(F)C1
192037969	ZINC000418465760	ref	4.07	-50.08	1	227.352	1.411	2	1	6	CC(C)CN(C(=O)NC[C@@H](C)C[NH3+])C1CC1
192037971	ZINC000418465477	ref	5.38	-36.51	1	243.395	2.19	2	1	7	CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H](C)C(C)C
343994068	ZINC000129391409	ref	2.05	-45.53	1	224.308	0.373	2	3	6	CC[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cccn1
214187366	ZINC000278487584	ref	8.31	-54.01	1	321.373	1.771	1	5	7	COC(=O)[C@@H](C)C[N@H+](C)CCC(=O)c1ccc2c(c1)OCCO2
365638240	ZINC000641602063	ref	2.77	-11.92	0	297.367	1.765	1	3	4	CC1(C)C[C@H](NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CO1
214187368	ZINC000278487584	mid	8.29	-53.3	1	321.373	1.771	1	5	7	COC(=O)[C@@H](C)C[N@@H+](C)CCC(=O)c1ccc2c(c1)OCCO2
214187370	ZINC000278487584	high	6.53	-13.37	0	321.373	1.771	0	6	7	COC(=O)[C@@H](C)CN(C)CCC(=O)c1ccc2c(c1)OCCO2
214187373	ZINC000278488909	ref	9.56	-51.37	1	304.459	3.09	2	2	4	O=C(Nc1ccccc1)C1CC[NH+](C[C@@H]2CCSC2)CC1
178303628	ZINC000237240596	ref	4.7	-70.03	-1	350.396	1.955	0	7	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2nc(-c3ccsc3)oc2C)C1
178303632	ZINC000237226526	ref	10.92	-52.77	1	370.501	1.896	1	5	5	C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)C1
178303636	ZINC000237223627	ref	6.71	-40.44	1	360.483	1.729	2	5	6	COc1ccccc1[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1nccn1C
178303639	ZINC000237223627	low	7.95	-94.68	2	360.483	1.729	2	4	6	COc1ccccc1[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1[nH+]ccn1C
214187376	ZINC000278488342	ref	5.59	-20.79	0	314.267	2.16	1	5	4	Cc1cc(NC(=O)COc2ccnc(C(F)(F)F)c2)n(C)n1
178303642	ZINC000237223627	high	5.65	-13.42	0	360.483	1.729	2	6	6	COc1ccccc1[C@@H](NC(=O)C[C@H]1CSCCN1)c1nccn1C
178303645	ZINC000237235377	ref	6.59	-43.56	1	354.45	1.737	2	3	7	CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1
178303649	ZINC000237235377	mid	5.29	-13.67	0	354.45	1.737	2	4	7	CN(C[C@H](O)COCc1ccccc1)C(=O)[C@@H]1Cc2ccccc2CN1
214187377	ZINC000278487616	ref	8.77	-49.21	1	303.381	3.327	2	2	5	CCOc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F
214187378	ZINC000278487616	mid	8.18	-47.14	1	303.381	3.327	2	2	5	CCOc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1F
214187381	ZINC000278487616	low	9.24	-108.68	2	303.381	3.327	2	1	5	CCOc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F
365638248	ZINC000641605547	ref	4.5	-13.26	0	259.375	1.239	1	4	8	CC[C@@H](C)CCNS(=O)(=O)CCn1ccnc1
365638253	ZINC000641605547	low	5.02	-42.79	1	259.375	1.239	1	3	8	CC[C@@H](C)CCNS(=O)(=O)CCn1cc[nH+]c1
365638259	ZINC000641605545	ref	4.31	-46.47	1	262.419	1.436	2	2	7	C[C@H](CCNS(=O)(=O)CC1(C)CCC1)[NH+](C)C
259308414	ZINC000356851309	ref	2.11	-7.95	0	241.331	1.245	2	3	6	C=C[C@H](CO)NC(=O)[C@H]1CCO[C@H](CCC)C1
365639484	ZINC000343900488	mid	2.93	-41.04	1	216.281	0.135	2	3	7	CCOC(=O)[C@@H](CC)[N@@H+](C)CCC(N)=O
343994069	ZINC000139350224	ref	4.74	-4.52	0	112.172	1.621	0	1	1	CC(=O)[C@]1(C)C[C@@H]1C
346818820	ZINC000601318794	ref	7.22	-14.74	0	285.384	2.04	1	4	6	CCOC(=O)C[C@H](C)NC(=O)C(C)(C)[C@@H]1CCCCO1
342080273	ZINC000625317978	ref	1.8	-44.11	1	299.798	1.629	4	3	7	OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
343994073	ZINC000139360499	ref	4.93	-53.45	-1	179.219	2.09	1	3	2	CC(C)c1cc(C(=O)[O-])ccc1N
346818826	ZINC000601318828	ref	5.58	-11.43	0	299.374	2.223	1	4	6	CCOc1cccc(CCNC(=O)C2(C#N)CC3(CC3)C2)n1
365638249	ZINC000623070548	ref	3.2	-47.25	1	319.361	1.052	2	4	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H]2OCC[NH2+][C@@H]2C1
365638257	ZINC000623070548	mid	1.9	-12.47	0	319.361	1.052	2	5	1	O=C(Nc1ccc2c(c1)OCCO2)N1CC[C@H]2OCCN[C@@H]2C1
343994076	ZINC000139397456	ref	6.62	-4.56	0	173.259	3.465	1	0	0	CC(C)(C)c1cccc2[nH]ccc12
365638268	ZINC000623070591	ref	4.38	-57.05	1	314.393	1.914	2	4	3	Cc1cccc(NC(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1
365638276	ZINC000623070591	high	3.98	-15.71	0	314.393	1.914	2	5	3	Cc1cccc(NC(=O)N2CCC[C@H](n3cc(CN)nn3)C2)c1
365638283	ZINC000623070574	ref	2.77	-56.13	1	301.354	1.001	2	5	3	[NH3+]Cc1cn([C@H]2CCCN(C(=O)Nc3ccccn3)C2)nn1
282123068	ZINC000364989499	ref	10.52	-100.95	2	343.471	2.217	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2O1
290622744	ZINC000332739881	ref	0.26	-22.64	0	290.385	-0.048	1	4	3	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1
342080274	ZINC000625317978	high	0.71	-6.66	0	299.798	1.629	4	4	7	OC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccc(Cl)cc1
342080275	ZINC000625309582	ref	6.03	-58.43	1	297.366	1.289	1	6	6	C[C@@H]([NH2+]CCc1cn(C)nn1)c1ccc(-n2ccnn2)cc1
342080276	ZINC000608868888	ref	5.64	-11.36	0	297.366	1.042	2	6	5	CN(CCCc1[nH]nc(N)c1C#N)c1ncnc2c1CCC2
342088407	ZINC000121508377	low	6.79	-80.58	2	290.411	1.57	1	2	2	CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@@]1(C)CCC[NH2+]1)C2
342088408	ZINC000600314853	ref	6.41	-19.6	0	297.33	1.915	1	5	7	CCOC(=O)C1(CC(=O)Nc2cnn(CCF)c2)CCC1
342088409	ZINC000621363521	ref	1.86	-45.44	1	280.368	1.357	2	4	7	CCOc1cncc(C[NH2+][C@H](CO)[C@@H]2CCCOC2)c1
342088410	ZINC000621363521	high	0.54	-7.88	0	280.368	1.357	2	5	7	CCOc1cncc(CN[C@H](CO)[C@@H]2CCCOC2)c1
342088411	ZINC000121509532	ref	7.08	-15.55	0	291.395	1.836	1	4	3	CC1(C)C[C@@H](NC(=O)Cn2cnc3c2CCCC3)CCO1
342088412	ZINC000121509532	mid	7.55	-36.31	1	291.395	1.836	1	3	3	CC1(C)C[C@@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CCO1
219048080	ZINC000286546032	ref	3.61	-15.04	0	300.771	1.218	1	5	5	Cc1nc(Cl)ccc1S(=O)(=O)NCCn1ccnc1
342080277	ZINC000127126069	ref	4.38	-49.35	1	288.391	1.804	2	2	5	NC(=O)C1(C[NH2+]C2CC(c3ccccc3)C2)CCOCC1
342080278	ZINC000625323130	ref	1.35	-45.14	1	283.343	1.115	4	3	7	OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(F)cc1
365638264	ZINC000172921802	low	7.52	-43.89	1	290.407	1.873	2	2	5	CC(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1
365638273	ZINC000172921795	ref	4.94	-7.88	0	290.407	1.873	1	3	5	CC(C)[C@H](C(=O)NC[C@H]1CN(C)CCO1)c1ccccc1
342080279	ZINC000625323130	high	0.25	-7.31	0	283.343	1.115	4	4	7	OC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccc(F)cc1
365638281	ZINC000172921795	low	6.93	-44.14	1	290.407	1.873	2	2	5	CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCO1)c1ccccc1
365638286	ZINC000172921795	low	7.35	-43.65	1	290.407	1.873	2	2	5	CC(C)[C@H](C(=O)NC[C@H]1C[N@@H+](C)CCO1)c1ccccc1
365638293	ZINC000172917271	ref	4.47	-12.98	0	250.298	1.33	2	4	5	CCOC(=O)CNc1ccc(C)cc1C(=O)NC
398245647	ZINC000651431332	high	5.3	-8.08	0	284.403	3.388	1	3	3	Cc1cc(N2CCC([C@@H](C)CO)CC2)c2ccccc2n1
342080280	ZINC000625322968	ref	5.61	-39.64	1	296.333	1.944	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1CCCO1
219048083	ZINC000286546032	low	4.12	-43.71	1	300.771	1.218	1	4	5	Cc1nc(Cl)ccc1S(=O)(=O)NCCn1cc[nH+]c1
219048086	ZINC000286548194	ref	7.76	-11.38	0	324.428	3.448	2	2	3	C[C@H](NC(=O)N1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)c1cn[nH]c1
365638302	ZINC000172918761	ref	5.03	-12.87	0	298.774	1.169	0	4	2	CCn1nc(C)c(C(=O)N2CCN(C(C)=O)CC2)c1Cl
365638311	ZINC000189262705	ref	1.44	-12.7	0	274.324	1.362	3	4	6	C[C@H](CCCO)NC(=O)c1[nH]nnc1-c1ccccc1
342080281	ZINC000625322968	high	4.39	-10.65	0	296.333	1.944	1	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@H](C)[C@@H]1CCCO1
342080282	ZINC000625322969	ref	5.89	-40.8	1	296.333	1.944	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1
342080283	ZINC000625322969	high	4.93	-9.28	0	296.333	1.944	1	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@@H](C)[C@@H]1CCCO1
219048089	ZINC000286547291	ref	7.15	-13.13	0	303.337	2.57	1	5	4	OC[C@@]1(F)CCCN(c2nccc(Oc3ccccc3)n2)C1
342080284	ZINC000625322978	ref	0.66	-9.46	0	263.301	1.879	1	7	5	Cc1noc([C@@H](C)NCc2noc(C3CCC3)n2)n1
365638325	ZINC000189262705	mid	1.39	-9.99	0	274.324	1.362	3	4	6	C[C@H](CCCO)NC(=O)c1n[nH]nc1-c1ccccc1
365638333	ZINC000172922089	ref	5.25	-23.7	0	286.335	1.063	2	4	6	CNC(=O)c1cccc(C(=O)NCCCn2ccnc2)c1
349535220	ZINC000602430345	ref	4.71	-48.69	1	237.347	1.384	1	2	5	CCC(C#N)(CC)C(=O)N1CC[C@@H](C[NH2+]C)C1
230732376	ZINC000425466112	ref	4.59	-11.38	0	304.39	2.093	2	3	8	C=C[C@@H]1OCC[C@H]1CNC(=O)NCCOCc1ccccc1
349535225	ZINC000602430413	ref	2.65	-52.71	1	240.303	0.348	2	3	4	COC(=O)[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C
365638265	ZINC000641602133	ref	0.06	-10.31	0	292.379	1.33	2	5	3	OCc1ccnc(N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1
230732381	ZINC000425467292	ref	4.98	-38.2	1	315.421	2.212	1	5	4	Cc1cncc(-c2nc(CN3CC[N@@H+](C)C[C@@H]3C(C)C)no2)c1
230732384	ZINC000425467292	mid	5.43	-37.58	1	315.421	2.212	1	5	4	Cc1cncc(-c2nc(CN3CC[N@H+](C)C[C@@H]3C(C)C)no2)c1
230732386	ZINC000425467292	mid	3.04	-5.8	0	315.421	2.212	0	6	4	Cc1cncc(-c2nc(CN3CCN(C)C[C@@H]3C(C)C)no2)c1
365638271	ZINC000641602133	low	0.47	-29.65	1	292.379	1.33	2	4	3	OCc1cc[nH+]c(N2CCOC[C@@H]2[C@H]2CCCC[C@@H]2O)c1
365638279	ZINC000641605209	ref	3.26	-33.13	1	265.361	1.108	3	4	8	CCC[N@H+](CC)C[C@@H](C)Nc1nccnc1C(N)=O
365638285	ZINC000641605209	mid	3.06	-31.4	1	265.361	1.108	3	4	8	CCC[N@@H+](CC)C[C@@H](C)Nc1nccnc1C(N)=O
365638291	ZINC000641605663	ref	1.04	-11.61	0	290.41	1.548	1	5	4	C[C@H](NS(=O)(=O)[C@H]1CCOC[C@@H]1C)c1cscn1
365638305	ZINC000641602160	ref	4.82	-17.98	0	279.311	1.576	1	3	4	CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H]2C[C@@]2(O)C1
230744925	ZINC000425612895	ref	6.12	-17.11	0	302.33	2.384	0	5	5	COc1ccnc(N(C)C(=O)c2ccc(OC)cc2OC)c1
365638312	ZINC000641605422	ref	3.92	-47.54	1	284.372	1.291	2	2	7	C[C@H](CCNS(=O)(=O)C[C@@]1(C)CC1(F)F)[NH+](C)C
349535229	ZINC000602430167	ref	6.0	-47.46	1	247.342	1.138	1	2	3	C[NH2+]C[C@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1
365638316	ZINC000641602113	ref	2.3	-13.55	0	284.315	1.043	2	4	1	Cc1cccc2c(O)c(C(=O)N3C[C@@H]4C[C@]4(O)C3)cnc12
365638328	ZINC000641602113	low	3.73	-27.73	0	284.315	1.043	2	3	1	Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4C[C@]4(O)C3)c[nH]c12
192037974	ZINC000418463744	ref	-1.22	-50.2	1	229.324	0.208	4	2	7	C/C=C/C[C@H](CO)NC(=O)NC[C@H](C)C[NH3+]
342080285	ZINC000625310943	ref	8.56	-9.13	0	284.367	1.924	1	5	4	c1n[nH]cc1-c1nnc(N2CC[C@@H]3C[C@@H]3C2)n1CC1CC1
342080286	ZINC000625322863	ref	0.9	-13.1	0	253.346	1.796	2	4	5	Cc1cnc([C@@H](C)NCC(=O)NCC(C)(C)C)o1
342080287	ZINC000625322863	low	2.12	-43.32	1	253.346	1.796	2	3	5	Cc1cnc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)o1
342080288	ZINC000625311432	ref	4.93	-5.32	0	264.291	1.881	1	1	2	C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F
342596678	ZINC000590795799	ref	3.71	-11.7	0	284.381	1.25	0	3	3	COc1ccc2c(c1)CCCN(S(=O)(=O)N(C)C)C2
210256873	ZINC000019527162	ref	11.11	-83.73	2	375.52	3.754	1	3	8	CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccn1-c1cc[nH+]cc1
210256880	ZINC000019527162	mid	10.78	-80.64	2	375.52	3.754	1	3	8	CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccn1-c1cc[nH+]cc1
342596679	ZINC000616973228	ref	2.43	-22.84	0	258.277	1.36	2	3	2	Cc1cccc2c(C(=O)N[C@H]3CCNC3=O)coc12
342596680	ZINC000616979049	ref	5.74	-8.28	0	250.346	1.767	1	4	4	CC[C@@H](C)N(CC)C(=O)c1c(C)nc(N)nc1C
210256883	ZINC000019527162	high	10.65	-32.68	1	375.52	3.754	1	4	8	CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccn1-c1ccncc1
365638272	ZINC000336554831	ref	5.92	-30.22	1	265.426	2.428	1	3	2	Cc1nc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c(C)s1
365638278	ZINC000336554831	mid	5.42	-35.59	1	265.426	2.428	1	3	2	Cc1nc(CN2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c(C)s1
210256887	ZINC000019527162	high	10.32	-34.16	1	375.52	3.754	1	4	8	CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1cccn1-c1ccncc1
210256891	ZINC000019526965	ref	6.47	-23.43	0	385.468	0.566	0	5	3	CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCN(C(C)=O)C4)ncc3C2)CC1=O
230732391	ZINC000450416571	ref	5.71	-19.46	0	323.393	1.905	1	4	3	CN(C)C(=O)[C@@H]1CC[C@H](CN=c2[nH]c3cccc(F)c3s2)O1
214187369	ZINC000293615494	ref	4.28	-21.91	0	364.427	0.508	1	6	4	C[C@H]1CN(C(=O)CNS(=O)(=O)c2cn(C)cn2)Cc2ccccc2O1
210256897	ZINC000019523670	ref	11.07	-25.07	0	384.509	3.325	1	7	5	CCc1nnc(NC(=O)C2CCN(c3nc4ccccc4n3CC)CC2)s1
210256903	ZINC000019523670	low	11.54	-39.21	1	384.509	3.325	1	6	5	CCc1nnc(NC(=O)C2CCN(c3[nH+]c4ccccc4n3CC)CC2)s1
214187372	ZINC000293615494	high	3.89	-57.93	-1	364.427	0.508	0	6	4	C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2cn(C)cn2)Cc2ccccc2O1
210256823	ZINC000272863160	ref	9.15	-42.4	1	302.418	2.312	1	2	3	COc1cccc2c1CCN(C(=O)C[NH+]1CCC(C)CC1)C2
210256828	ZINC000272863160	high	6.99	-10.35	0	302.418	2.312	0	3	3	COc1cccc2c1CCN(C(=O)CN1CCC(C)CC1)C2
197594400	ZINC000290099559	ref	7.91	-16.61	0	299.309	1.634	1	4	1	Cn1cnc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)n1
349535231	ZINC000093287659	ref	5.71	-8.35	0	295.383	0.675	1	3	6	COCCN1CCN(C(=O)NC(C2CC2)C2CC2)CC1=O
398245648	ZINC000651436054	ref	5.53	-9.87	0	274.349	3.069	0	6	3	CCc1c(-c2nc(-c3ccc(C)s3)no2)cnn1C
365638282	ZINC000354710075	ref	4.43	-24.35	0	295.404	1.729	1	3	6	C[C@H](CCOc1ccccc1)C(=O)N[C@@H]1CC[S@@](=O)C1
178303652	ZINC000237224646	ref	5.83	-11.65	0	354.45	1.737	2	3	7	CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1
365638289	ZINC000639790168	ref	6.64	-46.58	1	298.39	1.945	2	3	5	CCCNC(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
178303657	ZINC000237224646	mid	5.83	-11.65	0	354.45	1.737	2	4	7	CN(C[C@@H](O)COCc1ccccc1)C(=O)[C@H]1Cc2ccccc2CN1
178303660	ZINC000237236686	ref	3.96	-56.02	1	370.515	1.985	2	4	9	COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1
178303662	ZINC000237236686	high	3.34	-11.94	0	370.515	1.985	2	5	9	COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@@](C)(CN)CC(C)C)cc1
178303665	ZINC000237229683	ref	6.99	-51.24	1	352.485	1.2	1	6	6	C[NH2+]C[C@H]1CCCN1C(=O)CSCc1cc(=O)n2ccsc2n1
365638297	ZINC000639790168	mid	6.72	-48.96	1	298.39	1.945	2	3	5	CCCNC(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
365638301	ZINC000639790168	mid	4.07	-15.24	0	298.39	1.945	1	4	5	CCCNC(=O)CN1CC[C@@H](c2ccc3cccnc3n2)C1
365638307	ZINC000354711242	ref	5.25	-15.33	0	292.339	1.028	0	6	5	CCCC1(C(=O)N2CC(n3cc(C(=O)OC)nn3)C2)CC1
365638314	ZINC000354711236	ref	4.1	-17.6	0	289.36	1.705	1	4	4	C[C@H](NC(=O)c1cncnc1)c1ccc([S@](C)=O)cc1
365638318	ZINC000354710914	ref	3.85	-19.28	0	298.433	1.342	1	4	6	O=C(CCSCc1ccccn1)N[C@H]1CC[S@@](=O)C1
365638320	ZINC000354710370	ref	6.79	-10.2	0	290.363	1.947	1	4	7	C/C=C\C[C@@H](NC(=O)Cc1cccnc1C)C(=O)OCC
365638323	ZINC000354711836	ref	5.88	-14.1	0	276.336	1.778	1	4	4	CCc1ccc(C(=O)NC2(C(=O)OC)CCC2)c(C)n1
365639337	ZINC000623071697	ref	4.44	-50.3	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)Nc3ccccn3)C2)C1
365639346	ZINC000623071895	ref	1.58	-58.93	0	307.423	1.235	2	3	2	[NH3+]C1(CNC(=O)N=c2[n-]ncs2)C2CC3CC(C2)CC1C3
365639349	ZINC000623071317	ref	3.72	-50.11	1	310.423	1.893	2	4	2	[NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)Nc3nccs3)C2)C1
365639355	ZINC000623071555	ref	3.36	-57.17	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)Nc3cccnc3)CC2)C1
349535233	ZINC000602430416	ref	2.65	-52.5	1	240.303	0.348	2	3	4	COC(=O)[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)C(C)C
365639488	ZINC000175985641	ref	6.86	-7.86	0	239.359	2.735	0	2	3	C[C@H]1CC[C@@H](CCC(=O)N2CCCC2(C)C)O1
214187374	ZINC000293607902	ref	4.3	-14.07	0	371.445	0.964	1	7	5	CCn1nc(C)c(C(=O)N[C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1
214187380	ZINC000293605771	ref	4.89	-13.57	0	370.453	0.993	1	6	8	O=C(CCc1cncnc1)N1CCN(C[C@H](O)COc2ccccc2)CC1
282123069	ZINC000364989499	high	7.99	-45.69	1	343.471	2.217	1	3	4	CN(C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)c2ccccc2O1
168364880	ZINC000083364275	ref	7.65	-4.34	0	236.746	4.06	1	2	5	CCC(CC)CNc1ccc(Cl)cc1C#N
214187384	ZINC000293605771	low	7.14	-53.98	1	370.453	0.993	2	5	8	O=C(CCc1cncnc1)N1CC[NH+](C[C@H](O)COc2ccccc2)CC1
214187387	ZINC000293612175	ref	3.59	-11.82	0	351.378	0.848	1	5	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1
214187389	ZINC000293615214	ref	-1.16	-16.83	0	357.428	0.376	2	6	8	COCCS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1
185089201	ZINC000096078546	mid	4.62	-46.33	1	281.356	-0.017	2	5	4	OCC[N@H+]1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1
185089202	ZINC000096078546	low	5.76	-84.25	2	281.356	-0.017	2	4	4	OCC[N@@H+]1CCOC[C@@]2(C[C@@H](Cn3cc[nH+]c3)CO2)C1
214187391	ZINC000293606940	ref	4.31	-55.76	1	374.441	0.699	4	5	6	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](CO)C[NH+]3CCCCC3)ccc21
214187392	ZINC000293606940	high	2.02	-15.78	0	374.441	0.699	3	6	6	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@H](CO)CN3CCCCC3)ccc21
178303655	ZINC000005697974	ref	7.65	-10.22	0	227.242	2.844	0	3	1	Cc1cc2nccc(-c3ccc(F)cc3)n2n1
178303659	ZINC000051848186	ref	5.07	-50.5	-1	248.282	1.791	1	5	3	Cc1cc2nc([C@H](C)O)n(CC(=O)[O-])c2cc1C
299072265	ZINC000354603773	ref	1.74	-15.62	0	335.404	0.579	3	4	9	CC[C@@H](C)[C@H](OC)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1
214187394	ZINC000293601100	ref	0.38	-18.58	0	370.456	0.232	1	6	3	CN(C(=O)c1cnc2c(c1)NC(=O)CS2)[C@@H]1CCN(S(C)(=O)=O)C1
214187396	ZINC000293605505	ref	1.02	-25.41	0	371.34	0.615	2	5	7	COC[C@@H]1CCN1C(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F
290622745	ZINC000492522257	ref	6.78	-33.1	1	288.391	2.348	2	2	4	C[NH+](C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)cc1
290622746	ZINC000492522257	high	4.75	-9.52	0	288.391	2.348	1	3	4	CN(C)C[C@@H]1CCCCN1C(=O)/C=C\c1ccc(O)cc1
185089205	ZINC000096078546	low	5.14	-84.51	2	281.356	-0.017	2	4	4	OCC[N@H+]1CCOC[C@@]2(C[C@@H](Cn3cc[nH+]c3)CO2)C1
342596681	ZINC000590794508	ref	5.57	-8.12	0	272.414	1.837	0	2	3	CC1CCN(S(=O)(=O)N2CCC[C@@H]2C2CC2)CC1
365638284	ZINC000336554633	ref	4.49	-8.48	0	261.655	2.089	0	2	2	COC1CN(C(=O)c2cc(F)c(Cl)cc2F)C1
342596682	ZINC000616979591	ref	6.67	-8.19	0	251.33	1.733	0	4	6	CC[C@H](C)N(CC)C(=O)C(=O)c1cnn(CC)c1
342596683	ZINC000590797583	ref	4.51	-10.09	0	282.409	1.906	2	3	8	CO[C@@H](CNC(=O)NCCSC)Cc1ccccc1
342596684	ZINC000590797578	ref	3.2	-13.19	0	298.412	1.264	2	5	7	CCO[C@@H]1C[C@H](NC(=O)NCCSC)[C@H]1n1cccn1
365638296	ZINC000336554487	ref	7.41	-18.69	0	255.239	2.249	0	1	2	O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC(F)C1
365638303	ZINC000336554194	ref	3.89	-9.05	0	286.331	2.45	1	4	2	CCc1nc(C(=O)N2CCc3ccc(O)cc3C2)c(C)o1
214187379	ZINC000053527394	ref	6.16	-21.88	0	341.375	2.334	2	7	7	CC(C)c1noc(CCCC(=O)Nc2n[nH]c(-c3ccccn3)n2)n1
214187382	ZINC000053527394	mid	6.15	-20.57	0	341.375	2.334	2	7	7	CC(C)c1noc(CCCC(=O)Nc2nc(-c3ccccn3)n[nH]2)n1
214187386	ZINC000053527394	high	6.08	-60.55	-1	341.375	2.334	1	7	7	CC(C)c1noc(CCCC(=O)Nc2nnc(-c3ccccn3)[n-]2)n1
342596685	ZINC000590797422	ref	2.6	-12.1	0	286.372	1.391	3	3	7	CSCCNC(=O)NC[C@H](O)Cc1cccc(F)c1
365638309	ZINC000336555030	ref	7.12	-39.98	1	276.428	2.059	1	3	3	Cc1cc(C)n(CCN2C[C@H]3CCCC[N@H+]3C[C@H]2C)n1
365638315	ZINC000336555030	mid	7.08	-35.79	1	276.428	2.059	1	3	3	Cc1cc(C)n(CCN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)n1
365638317	ZINC000336555030	high	5.19	-5.51	0	276.428	2.059	0	4	3	Cc1cc(C)n(CCN2C[C@H]3CCCCN3C[C@H]2C)n1
342596686	ZINC000590797404	ref	5.6	-12.95	0	257.359	1.741	1	4	6	CCc1nocc1CN(C)C(=O)NCCSC
342596687	ZINC000590797297	ref	4.25	-14.32	0	260.334	1.054	2	4	9	CCC[C@H](C)NC(=O)NCCOCC(=O)OCC
365638321	ZINC000336554999	ref	7.47	-36.99	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@@H]2CCCC[N@H+]2C[C@@H]1C
398245649	ZINC000651432574	ref	6.46	-7.82	0	282.212	3.251	0	3	3	FC1(F)CC(Cc2noc(C3(C(F)(F)F)CC3)n2)C1
365638324	ZINC000336554999	mid	7.8	-38.93	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C
178303664	ZINC000070165353	ref	5.1	-53.97	1	246.314	1.306	1	4	4	Cc1cc2ncc(C[NH2+]C[C@H]3CCCO3)cn2n1
192037959	ZINC000273085011	ref	5.03	-9.18	0	266.736	1.49	2	6	5	Cn1cc(CCCNc2ncnc(N)c2Cl)cn1
342596688	ZINC000590796862	ref	4.52	-19.27	0	279.296	1.89	2	4	2	Cc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](O)[C@H]1C
365638329	ZINC000336554999	mid	7.65	-42.53	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@H+]1C[C@@H]2CCCCN2C[C@@H]1C
342080289	ZINC000625311432	mid	7.04	-40.44	1	264.291	1.881	1	1	2	C[C@H](CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F
349535234	ZINC000594968915	ref	6.03	-47.51	1	269.385	2.605	1	1	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2F)C1
342080290	ZINC000625311432	high	4.93	-5.32	0	264.291	1.881	0	2	2	C[C@H](CC(=O)N1CCN2CCC[C@@H]2C1)C(F)(F)F
210256831	ZINC000272862136	ref	7.3	-12.25	0	314.451	3.14	1	4	9	CC[C@@H](CSC)N(C)C(=O)N[C@H](CCOC)c1ccco1
365638287	ZINC000623070574	high	2.36	-16.75	0	301.354	1.001	2	6	3	NCc1cn([C@H]2CCCN(C(=O)Nc3ccccn3)C2)nn1
365638294	ZINC000623070823	ref	6.02	-89.3	2	318.421	1.343	3	2	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)c1
342080291	ZINC000625323072	ref	0.0	-8.39	0	293.754	1.962	2	5	6	COc1cncc(CN[C@@H](CO)c2ccc(Cl)cc2)n1
210256838	ZINC000272863374	ref	5.73	-9.76	0	318.421	2.013	1	4	1	Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21
342080292	ZINC000625323072	low	1.09	-47.99	1	293.754	1.962	2	4	6	COc1cncc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)n1
342080293	ZINC000625322587	ref	4.66	-40.09	1	265.386	1.727	1	5	6	CCc1nc([C@H](C)[NH2+]CCc2cn(C)nn2)cs1
214187383	ZINC000278487616	low	8.65	-109.37	2	303.381	3.327	2	1	5	CCOc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F
214187385	ZINC000278487616	high	6.36	-10.83	0	303.381	3.327	1	3	5	CCOc1ccc(CN2CCC[C@H](c3ncc[nH]3)C2)cc1F
342080294	ZINC000625322587	mid	3.47	-11.19	0	265.386	1.727	1	6	6	CCc1nc([C@H](C)NCCc2cn(C)nn2)cs1
210256844	ZINC000272862840	ref	7.46	-14.02	0	313.401	2.497	1	4	5	O=C(c1ccc(-n2ccnc2)cc1)N1CCC(CCCO)CC1
349535236	ZINC000594968915	high	4.86	-12.98	0	269.385	2.605	1	2	4	C[S@](=O)[C@H]1CCC[C@@H](NCc2ccccc2F)C1
210256849	ZINC000272862840	low	7.97	-44.13	1	313.401	2.497	1	3	5	O=C(c1ccc(-n2cc[nH+]c2)cc1)N1CCC(CCCO)CC1
282123070	ZINC000116785108	ref	6.12	-38.46	1	284.4	1.125	1	3	5	C[NH+](C)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1
342080295	ZINC000625323128	ref	1.35	-44.96	1	283.343	1.115	4	3	7	OC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(F)cc1
214190467	ZINC000278495346	ref	5.17	-14.02	0	319.81	2.274	1	4	7	CC(=O)OCCCS(=O)(=O)N[C@@H](C)c1cccc(Cl)c1
342080296	ZINC000625323128	high	0.15	-7.05	0	283.343	1.115	4	4	7	OC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccc(F)cc1
259308416	ZINC000394126780	ref	9.96	-46.23	1	247.357	4.018	1	0	7	C=CCCCC[NH2+]C1CC(c2cccc(F)c2)C1
342080297	ZINC000625323151	ref	3.46	-41.99	1	281.4	1.781	3	4	7	CC(C)n1cc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)cn1
342596689	ZINC000590797190	ref	5.74	-39.71	1	260.381	1.826	2	2	3	CC(C)(O)C[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1
365638292	ZINC000123447894	ref	7.84	-28.43	0	283.784	2.478	0	4	4	C[C@H](c1ccc(Cl)cc1)[S@](=O)Cc1nncn1C
230732414	ZINC000450416895	ref	4.87	-4.34	0	318.158	1.893	1	3	1	C[C@@H]1CCN(c2ccc(I)cn2)C[C@@H]1O
365638300	ZINC000123531057	ref	6.33	-13.06	0	298.364	2.401	0	5	6	C=C(C)CN(CC)c1ccc([N+](=O)[O-])c(S(C)(=O)=O)c1
342596690	ZINC000616979561	ref	5.91	-38.28	1	253.39	1.023	1	2	4	CC[C@H](C)N(CC)C(=O)[C@H]1C[N@H+]2CCCN1CC2
365638327	ZINC000123438220	ref	4.05	-11.36	0	281.377	2.06	1	3	3	O=S(=O)(CC1CC1)N1CCC[C@H](O)c2ccccc21
365638338	ZINC000123426695	ref	5.69	-7.63	0	251.351	2.436	1	3	3	O=C(N[C@H]1CCO[C@H](C2CC2)C1)c1ccsc1
230732421	ZINC000450418481	ref	2.12	-14.32	0	323.418	1.963	1	5	4	CCNS(=O)(=O)[C@H]1CCN(c2nc3cc(C)cc(C)c3o2)C1
230732424	ZINC000450417447	ref	3.34	-15.17	0	314.363	1.979	1	6	4	C[C@@]1(Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCCOC1
365638349	ZINC000123437981	ref	3.66	-12.12	0	281.377	2.06	1	3	3	O=S(=O)(CC1CC1)N1CCC[C@@H](O)c2ccccc21
365638359	ZINC000123522565	ref	7.12	-10.32	0	269.348	2.474	1	3	2	C[C@H]1CCc2ccccc2[C@H]1NC(=O)c1cnn(C)c1
365638373	ZINC000123491722	ref	6.26	-8.41	0	258.321	2.118	0	3	2	CC[C@@H]1COCCN1C(=O)c1ccc(C#N)cc1C
230732432	ZINC000450419483	ref	3.9	-18.39	0	317.389	1.914	1	4	3	Cc1cc(C)c2oc(=NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)[nH]c2c1
365638386	ZINC000123501733	ref	3.22	-8.12	0	290.182	2.302	1	2	4	C=C[C@@H](C)NS(=O)(=O)c1cccc(Br)c1
365638398	ZINC000123499712	ref	3.14	-16.05	0	287.319	2.451	1	5	2	Cc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)c(O)c1
365638409	ZINC000123499712	high	4.07	-64.32	-1	287.319	2.451	0	5	2	Cc1ccc(C(=O)N2CCCC[C@H]2c2ncon2)c([O-])c1
365638417	ZINC000123518568	ref	7.51	-17.61	0	299.317	2.297	0	3	6	CCOCCOCC(=O)N1CCCc2cc(F)cc(F)c21
365638434	ZINC000123514658	ref	5.98	-8.66	0	277.368	2.142	0	4	5	CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cnccn1
214187388	ZINC000053527394	high	5.99	-61.64	-1	341.375	2.334	1	7	7	CC(C)c1noc(CCCC(=O)Nc2nc(-c3ccccn3)n[n-]2)n1
197594415	ZINC000290098735	ref	6.39	-43.26	1	290.407	1.953	2	2	7	CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCOCc1ccccc1
230732444	ZINC000450417364	ref	4.73	-12.1	0	321.417	1.633	2	4	9	C/C=C\COc1cccc(CC(=O)N(C)CC(C)(CO)CO)c1
365638450	ZINC000123494675	ref	7.27	-15.7	0	274.364	2.3	1	3	7	CC(C)[C@](C)(C#N)NC(=O)COCCc1ccccc1
219048088	ZINC000350684261	ref	5.26	-39.82	1	284.444	2.164	3	2	7	CCC(CC)CC(=O)NCC1(O)CC[NH+](C(C)C)CC1
312713268	ZINC000176865091	ref	7.27	-11.93	0	250.346	2.381	1	3	3	Cc1cc(NC(=O)N(C)[C@H](C)C2(C)CC2)n(C)n1
398245650	ZINC000651441783	ref	6.45	-12.57	0	293.75	3.337	0	3	3	COC[C@@H]1CCCN1C(=O)c1coc2ccc(Cl)cc12
178303668	ZINC000070165353	high	3.75	-9.84	0	246.314	1.306	1	5	4	Cc1cc2ncc(CNC[C@H]3CCCO3)cn2n1
398245651	ZINC000651444943	ref	9.28	-13.93	0	291.439	3.237	1	3	8	CCCC[C@H](CCC)NC(=O)Cc1cn2c(n1)CCCC2
365638304	ZINC000623070823	mid	4.72	-46.17	1	318.421	1.343	3	3	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H]3OCCN[C@H]3C2)c1
214187390	ZINC000053527394	high	5.98	-61.59	-1	341.375	2.334	1	7	7	CC(C)c1noc(CCCC(=O)Nc2n[n-]c(-c3ccccn3)n2)n1
398245652	ZINC000651444943	low	9.56	-29.39	1	291.439	3.237	1	2	8	CCCC[C@H](CCC)NC(=O)Cc1cn2c([nH+]1)CCCC2
398245654	ZINC000651443901	ref	5.96	-5.98	0	262.353	3.4	0	4	2	CC1(C)C[C@@H](c2noc([C@@H]3CC34CCC4)n2)CCO1
398245656	ZINC000651431642	ref	5.76	-8.29	0	270.376	3.08	1	3	3	C[C@H](CO)C1CCN(c2ccc3ccccc3n2)CC1
219048104	ZINC000350684652	ref	6.74	-6.74	0	255.402	3.278	1	2	8	CC[C@@H](C)CCC(=O)NCCOC1CCCCC1
219048107	ZINC000350684177	ref	4.63	-8.41	0	295.354	2.179	2	3	5	CC(C)[C@H](O)C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1
282123071	ZINC000116785108	high	3.67	-8.38	0	284.4	1.125	0	4	5	CN(C)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)CCO1
398245658	ZINC000651443983	ref	5.18	-5.47	0	250.342	3.256	0	4	2	CC1CC(c2nc([C@@H]3CCOC(C)(C)C3)no2)C1
282123072	ZINC000116795160	ref	8.08	-42.38	1	312.36	1.686	1	2	5	C[NH+](C)C[C@@H]1CN(C(=O)CCc2cccc(F)c2F)CCO1
219048117	ZINC000350686078	ref	8.3	-5.12	0	269.348	3.123	1	4	4	CO[C@H]1CC[C@@H](Nc2ncncc2-c2ccccc2)C1
219048118	ZINC000350692518	ref	6.79	-11.84	0	293.374	2.009	2	5	5	Cc1cc(NCCNc2ccc3ccccc3n2)nc(C)n1
230732417	ZINC000414313128	ref	8.91	-51.02	1	322.449	3.052	1	2	4	C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1=O)C1CCSCC1
219048120	ZINC000350692518	mid	7.19	-34.88	1	293.374	2.009	2	4	5	Cc1cc(NCCNc2ccc3ccccc3n2)nc(C)[nH+]1
398245660	ZINC000651431175	ref	6.35	-8.08	0	283.799	3.063	1	2	5	CCN(CC(C)(C)O)C(=O)[C@H](C)c1ccc(Cl)cc1
219048122	ZINC000350692518	low	7.64	-74.05	2	293.374	2.009	2	3	5	Cc1cc(NCCNc2ccc3ccccc3[nH+]2)nc(C)[nH+]1
259308418	ZINC000356850163	ref	1.48	-14.12	0	237.303	0.243	2	4	5	C=C[C@@H](CO)NC(=O)Cc1c(C)nn(C)c1C
282123073	ZINC000116795160	high	5.52	-11.43	0	312.36	1.686	0	3	5	CN(C)C[C@@H]1CN(C(=O)CCc2cccc(F)c2F)CCO1
282123074	ZINC000369465756	ref	4.29	-43.44	1	338.408	-0.36	2	4	4	C[NH+](C)C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1
282123075	ZINC000369465756	high	1.73	-14.44	0	338.408	-0.36	1	5	4	CN(C)C[C@@H]1CN(C(=O)CN2C(=O)NC3(CCCC3)C2=O)CCO1
365638308	ZINC000623070823	high	2.23	-8.93	0	318.421	1.343	2	4	3	CN(C)Cc1cccc(NC(=O)N2CC[C@@H]3OCCN[C@H]3C2)c1
185089206	ZINC000096078546	high	2.31	-14.62	0	281.356	-0.017	1	6	4	OCCN1CCOC[C@@]2(C[C@@H](Cn3ccnc3)CO2)C1
342596691	ZINC000616979561	mid	5.41	-41.59	1	253.39	1.023	1	2	4	CC[C@H](C)N(CC)C(=O)[C@H]1C[N@@H+]2CCCN1CC2
342596692	ZINC000616979561	high	3.7	-6.66	0	253.39	1.023	0	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CN2CCCN1CC2
290622748	ZINC000412347696	ref	6.58	-9.02	0	259.349	2.679	1	2	3	C[C@H]1CC[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccccc1
365638319	ZINC000623069849	ref	3.58	-45.08	1	318.24	1.963	1	3	2	C[C@@H]1CCN(C(=O)c2ncc(Br)s2)C[C@H]1C[NH3+]
365638322	ZINC000623070811	ref	7.73	-45.12	1	317.437	1.543	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1
185089208	ZINC000096078144	ref	8.07	-42.26	1	275.396	2.116	1	2	1	Cn1cccc1C(=O)N1CCC2(CCCC[N@@H+]2C)CC1
365638326	ZINC000623070026	ref	4.84	-52.06	1	320.418	2.0	1	5	5	Cc1cnc(C(=O)N(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)o1
365638332	ZINC000623070308	ref	3.32	-44.58	1	318.24	1.963	1	3	2	C[C@@H]1CN(C(=O)c2ncc(Br)s2)C[C@@]1(C)C[NH3+]
342596693	ZINC000590797383	ref	4.13	-10.78	0	272.414	1.998	2	3	5	CSCCNC(=O)NC[C@@H]1CCOC2(CCC2)C1
365638337	ZINC000623070166	ref	4.9	-46.88	1	307.369	1.141	2	2	3	O=C(NCCc1ccc(F)cc1)N1CC[C@@H]2OCC[NH2+][C@@H]2C1
365638343	ZINC000623070166	mid	3.6	-11.13	0	307.369	1.141	2	3	3	O=C(NCCc1ccc(F)cc1)N1CC[C@@H]2OCCN[C@@H]2C1
342596694	ZINC000590797489	ref	6.0	-42.24	1	273.446	1.915	3	2	9	CSCCNC(=O)NCCCCC[NH+]1CCCC1
342596695	ZINC000616979871	ref	4.78	-21.91	0	263.403	1.847	0	3	5	CC[C@H](C)N(CC)C(=O)CS(=O)(=O)C(C)(C)C
342596696	ZINC000616979647	ref	7.17	-8.89	0	250.346	1.803	0	4	5	CC[C@H](C)N(CC)C(=O)c1cnc(N(C)C)cn1
365638346	ZINC000623070966	ref	2.64	-40.62	1	304.213	1.776	2	3	2	CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ncc(Br)s1
342596697	ZINC000590797584	ref	4.91	-10.55	0	282.409	1.906	2	3	8	CO[C@H](CNC(=O)NCCSC)Cc1ccccc1
342596698	ZINC000590797419	ref	3.7	-8.35	0	260.403	1.998	2	3	7	CCOC1(CNC(=O)NCCSC)CCCC1
178303674	ZINC000237242430	ref	7.55	-47.64	1	351.397	1.776	1	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1
178303677	ZINC000237241712	ref	5.27	-53.11	1	357.407	1.946	1	4	4	Cc1cc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)cc([N+](=O)[O-])c1F
178303682	ZINC000237235084	ref	9.17	-53.22	1	373.497	1.762	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)C1
178303685	ZINC000237238340	ref	9.32	-49.82	1	357.454	1.765	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1
178303693	ZINC000237233960	ref	10.18	-52.83	1	356.474	1.649	1	5	5	C[NH2+]C[C@H]1CCCN1C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C
210256856	ZINC000272863461	ref	1.77	-10.37	0	324.324	1.946	1	4	3	C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C(F)(F)F)nc2)CCO1
210256859	ZINC000272862381	ref	2.68	-11.81	0	324.421	2.598	3	4	7	COCC[C@H](NC(=O)NC[C@]1(C)CCCC[C@@H]1O)c1ccco1
398245653	ZINC000649444097	ref	8.18	-5.69	0	218.321	3.644	0	2	1	C=C(C)c1ccc2c(c1)C(=O)[C@H](C)CS2
214187393	ZINC000053530125	ref	6.74	-48.69	1	340.221	1.785	1	4	7	COCC[NH2+]CCCn1cnc2ccc(Br)cc2c1=O
178303697	ZINC000237227690	ref	9.69	-63.7	-1	356.378	1.78	0	5	5	CN(CCC(=O)[O-])C(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1
178303700	ZINC000237241327	ref	8.34	-45.92	1	359.47	1.514	1	3	6	C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCN(C(=O)COc2ccccc2)C1
349535237	ZINC000093279575	ref	6.46	-42.65	1	253.346	0.704	1	4	4	CCC(C)(C)[N@H+](C)Cc1cn(C)c(=O)n(C)c1=O
349535243	ZINC000093279575	mid	6.42	-43.48	1	253.346	0.704	1	4	4	CCC(C)(C)[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O
190493967	ZINC000269429846	ref	6.76	-49.79	1	292.383	1.195	2	4	5	CO[C@@H](C)C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1
178303703	ZINC000237238796	ref	7.68	-51.62	1	360.437	1.362	1	5	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)C1
210256864	ZINC000272861983	ref	1.63	-10.05	0	323.393	0.652	3	4	9	COC[C@H](CNC(=O)N[C@H](C)C(=O)NCc1ccccc1)OC
342080298	ZINC000625323151	high	2.26	-7.28	0	281.4	1.781	3	5	7	CC(C)n1cc([C@H](C)NC[C@H](O)CC2(O)CCC2)cn1
398245655	ZINC000649443927	ref	4.61	-43.0	1	217.312	2.159	2	1	3	C[C@H](CO)c1ccc(C2=CC[NH2+]CC2)cc1
214190465	ZINC000337632894	ref	2.64	-8.14	0	296.377	2.224	1	7	4	COc1cc(C(=O)Nc2nc(SC)ns2)cc(C)n1
398245657	ZINC000649444105	ref	4.39	-5.42	0	203.241	2.439	1	2	1	C=C(C)c1ccc2c(c1)NC(=O)[C@@H](C)O2
168364882	ZINC000040407576	ref	0.47	-38.61	1	154.213	0.716	2	2	4	C[C@@H]([NH3+])CNCc1ccco1
342596699	ZINC000590797408	ref	4.22	-10.22	0	256.375	1.626	2	4	6	CCn1ccnc1[C@@H](C)NC(=O)NCCSC
365638310	ZINC000576607254	ref	4.2	-38.04	1	224.304	1.544	1	2	4	Cc1occc1C[NH2+]C(C)(C)C(=O)N(C)C
365638334	ZINC000576607254	mid	4.03	-7.79	0	224.304	1.544	1	3	4	Cc1occc1CNC(C)(C)C(=O)N(C)C
210256869	ZINC000272862318	ref	1.32	-18.94	0	308.359	1.948	2	5	7	COCC[C@H](NC(=O)c1cc(C(N)=O)cs1)c1ccco1
210256874	ZINC000272862645	ref	2.51	-20.14	0	302.783	2.062	2	3	6	C=CCS(=O)(=O)CCNC(=O)Nc1ccccc1Cl
210256881	ZINC000272862152	ref	4.64	-8.8	0	322.43	2.923	2	4	7	COC[C@H](CNC(=O)N[C@H](C)c1cc2ccccc2s1)OC
210256884	ZINC000272862152	low	4.54	-9.3	0	322.43	2.923	2	4	7	COCC(CNC(=O)NC(C)c1cc2ccccc2s1)OC
210256889	ZINC000272862459	ref	6.4	-18.28	0	309.369	1.975	1	3	4	O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cccc2cnccc12
365638339	ZINC000576605487	ref	5.72	-14.44	0	236.271	0.306	0	5	2	Cn1ccc(=O)n(CC2CCC(=O)CC2)c1=O
185089210	ZINC000096078144	mid	8.04	-41.52	1	275.396	2.116	1	2	1	Cn1cccc1C(=O)N1CCC2(CCCC[N@H+]2C)CC1
185089212	ZINC000096077052	ref	8.25	-45.9	1	276.38	2.647	1	2	3	CCN1C(=O)CCC[C@]12CCC[N@H+](Cc1ccco1)C2
185089214	ZINC000096077052	mid	8.03	-45.15	1	276.38	2.647	1	2	3	CCN1C(=O)CCC[C@]12CCC[N@@H+](Cc1ccco1)C2
214187395	ZINC000053544496	ref	9.16	-14.92	0	338.415	2.457	1	6	4	Cc1cc(C(=O)NCc2ccc(-n3cncn3)cc2)nn1C(C)(C)C
342596700	ZINC000590797408	low	4.77	-36.62	1	256.375	1.626	2	3	6	CCn1cc[nH+]c1[C@@H](C)NC(=O)NCCSC
230732446	ZINC000414313225	ref	7.48	-14.43	0	314.364	3.214	1	5	5	Cc1nn(-c2cccc(F)c2)cc1CNCc1c(C)noc1C
342596701	ZINC000616979533	ref	4.57	-9.82	0	284.4	1.397	1	3	6	CC[C@@H](C)N(CC)C(=O)CCC(=O)N1CCC(O)CC1
342596702	ZINC000590797398	ref	5.51	-10.41	0	260.403	1.806	1	3	5	CCO[C@H]1CCN(C(=O)NCCSC)C[C@H]1C
230732448	ZINC000414313225	mid	8.87	-61.82	1	314.364	3.214	1	4	5	Cc1nn(-c2cccc(F)c2)cc1C[NH2+]Cc1c(C)noc1C
210256894	ZINC000272862366	ref	7.04	-42.26	1	323.437	2.481	2	3	6	COCC[C@H](NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1
178303678	ZINC000066347802	ref	4.63	-10.33	0	239.072	1.994	1	2	0	Cc1cc2nc[nH]c(=O)c2cc1Br
210256898	ZINC000272862366	mid	6.65	-42.81	1	323.437	2.481	2	3	6	COCC[C@H](NC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1
343994070	ZINC000129391409	high	1.74	-8.75	0	224.308	0.373	2	4	6	CC[C@@H](N)C(=O)NC[C@@H](C)Cn1cccn1
214187397	ZINC000053527687	ref	8.67	-22.15	0	348.366	3.118	2	6	5	COc1ccc2c(ccn2CC(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
210256901	ZINC000272862366	high	4.75	-9.92	0	323.437	2.481	1	4	6	COCC[C@H](NC(=O)N(C)[C@H]1CCN(C)[C@@H](C)C1)c1ccco1
210256905	ZINC000272862386	ref	5.7	-15.85	0	302.374	1.75	2	3	4	Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c(O)c1C
342596703	ZINC000590797000	ref	6.84	-10.77	0	299.309	1.633	1	5	4	Cn1nc(C2CC2)nc1C(=O)NCc1ccc(C#N)cc1F
197594433	ZINC000162831085	ref	6.79	-55.55	-1	308.212	1.974	0	5	7	O=C(COc1ccccc1[N+](=O)[O-])[N-]OCCC(F)(F)F
197594435	ZINC000162834863	ref	10.31	-22.06	0	314.389	2.755	1	5	5	COc1cccc([C@@H](C)CC(=O)Nc2nnc3n2CCCC3)c1
210256910	ZINC000272862386	high	6.7	-57.55	-1	302.374	1.75	1	3	4	Cc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)c([O-])c1C
398245659	ZINC000649444057	ref	7.16	-7.74	0	222.238	3.333	0	2	2	Cc1c(-c2ccc(C(F)F)cc2)cnn1C
342596704	ZINC000590797591	ref	4.64	-13.96	0	267.329	1.86	2	3	5	CSCCNC(=O)NCc1ccc(C#N)c(F)c1
342596705	ZINC000590797496	ref	3.55	-11.3	0	260.403	1.855	2	3	7	CSCCNC(=O)NCCCC1CCOCC1
342596706	ZINC000590797421	ref	3.98	-11.02	0	296.436	1.869	3	3	7	CSCCNC(=O)N[C@@H](CO)Cc1ccc(C)c(C)c1
210256915	ZINC000272863623	ref	6.61	-11.58	0	313.401	2.414	2	3	4	C[C@@](O)(CC(=O)N1CCC(c2ncc[nH]2)CC1)c1ccccc1
210256872	ZINC000000641821	ref	7.65	-6.96	0	351.02	5.339	2	2	2	O=C(Nc1cccc(Cl)c1Cl)Nc1ncc(Cl)cc1Cl
214190466	ZINC000293662613	mid	4.64	-50.17	1	368.499	0.936	2	4	7	CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c1
210256879	ZINC000000644146	ref	9.25	-11.34	0	354.475	4.56	2	3	4	Cc1cccc(C(C)C)c1NC(=O)C[C@@H]1Sc2ccccc2NC1=O
210256886	ZINC000000643294	ref	6.36	-12.84	0	366.284	3.274	1	4	3	NC(=O)C1CCN(c2nc(-c3ccc(Br)cc3)cs2)CC1
210256890	ZINC000000640738	ref	6.61	-17.29	0	357.797	4.549	2	4	4	COc1ccc(NC(=O)Nc2cc(Cl)c3ccc(OC)cc3n2)cc1
210256896	ZINC000000646153	ref	6.12	-16.53	0	350.465	2.0	1	4	4	CCNC(=O)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1cccs1
398245662	ZINC000649443884	ref	7.84	-41.82	1	219.353	3.175	1	1	3	CCSc1cccc(C2=CC[NH2+]CC2)c1
210256902	ZINC000000642753	ref	11.79	-8.5	0	359.636	5.328	0	3	4	Cc1ccc(OC(=O)[C@H](C)Oc2cc(Cl)c(Cl)cc2Cl)cc1
398245663	ZINC000649443846	ref	4.26	-8.38	0	203.245	1.799	0	4	2	COc1ccc(-c2cnn(C)c2C)nc1
214187398	ZINC000293607896	ref	3.98	-20.44	0	372.425	0.877	2	4	5	CCN(C(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)[C@H]1CCNC1=O
178303681	ZINC000012396182	ref	5.44	-11.18	0	224.267	2.287	1	4	1	Cc1cc2nccc(-c3cccc(N)c3)n2n1
365638330	ZINC000641602113	high	3.39	-48.74	-1	284.315	1.043	1	3	1	Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4C[C@]4(O)C3)c[n-]c12
365638336	ZINC000641605544	ref	4.22	-17.26	0	260.322	1.404	1	6	3	Cc1nnsc1CNc1ccc2c(n1)C(=O)CC2
365638344	ZINC000641602261	ref	2.26	-9.7	0	258.281	1.121	1	5	2	NC(=O)c1cc(N2CCCc3occc3C2)ncn1
178303687	ZINC000051847829	ref	7.37	-52.58	-1	230.267	2.368	1	3	2	Cc1cc2nc([C@H]3C[C@@H]3C(=O)[O-])[nH]c2cc1C
178303688	ZINC000051847829	low	7.79	-42.06	0	230.267	2.368	1	2	2	Cc1cc2[nH]c([C@H]3C[C@@H]3C(=O)[O-])[nH+]c2cc1C
365638351	ZINC000641602062	ref	2.76	-13.46	0	297.367	1.765	1	3	4	CC1(C)C[C@@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CO1
365638356	ZINC000641605664	ref	0.9	-14.3	0	290.41	1.548	1	5	4	C[C@H](NS(=O)(=O)[C@@H]1CCOC[C@H]1C)c1cscn1
365638366	ZINC000641605541	ref	7.36	-11.98	0	297.424	1.725	0	4	5	O=S(=O)(CCn1ccnc1)N1CCC(C2CCC2)CC1
365638371	ZINC000641605541	low	7.87	-42.03	1	297.424	1.725	0	3	5	O=S(=O)(CCn1cc[nH+]c1)N1CCC(C2CCC2)CC1
230732460	ZINC000450421030	ref	2.12	-11.51	0	319.405	1.358	2	4	2	Cc1cc(C(=O)N2CC[C@H](C(C)(C)C)[C@@H](O)C2)ncc1C(N)=O
185089215	ZINC000096077052	high	6.42	-10.4	0	276.38	2.647	0	3	3	CCN1C(=O)CCC[C@]12CCCN(Cc1ccco1)C2
178303690	ZINC000277084597	ref	2.03	-57.18	1	247.302	0.423	2	4	3	Cc1cc2ncc(C(=O)N[C@@H](C)C[NH3+])c(C)n2n1
365638375	ZINC000641605298	ref	2.67	-10.0	0	272.345	1.623	0	4	2	CC[C@H]1CN(c2ccncc2F)C[C@@H](C)S1(=O)=O
365638382	ZINC000641605298	low	3.13	-48.67	1	272.345	1.623	0	3	2	CC[C@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)S1(=O)=O
185089217	ZINC000096075971	ref	6.54	-40.39	1	261.325	1.375	1	3	3	O=C(c1ccno1)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
185089218	ZINC000096075971	mid	6.57	-41.21	1	261.325	1.375	1	3	3	O=C(c1ccno1)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
398245661	ZINC000651433374	ref	7.98	-8.72	0	294.276	3.485	0	3	3	Fc1ccc2c(c1)[C@H](c1nc(CC3CC(F)(F)C3)no1)C2
365638385	ZINC000641605295	ref	2.86	-10.39	0	272.345	1.623	0	4	2	CC[C@@H]1CN(c2ccncc2F)C[C@@H](C)S1(=O)=O
349535238	ZINC000602430937	ref	7.44	-48.91	1	220.32	1.792	1	3	6	C[C@H](CCC#N)C[N@H+](C)Cc1cnn(C)c1
365638389	ZINC000641605295	low	3.32	-47.79	1	272.345	1.623	0	3	2	CC[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)S1(=O)=O
342080299	ZINC000625310996	ref	2.48	-11.58	0	260.288	1.061	1	4	5	Cn1cc(CC[N@@H+]2CCC[C@H](OC(F)F)C2)nn1
342080300	ZINC000625310996	mid	5.05	-41.91	1	260.288	1.061	1	4	5	Cn1cc(CC[N@H+]2CCC[C@H](OC(F)F)C2)nn1
282123076	ZINC000491441688	ref	4.34	-48.52	1	285.344	-0.382	1	4	5	C[NH+](C)C[C@@H]1CN(C(=O)CCN2CCOC2=O)CCO1
342080301	ZINC000625310996	mid	2.48	-11.58	0	260.288	1.061	0	5	5	Cn1cc(CCN2CCC[C@H](OC(F)F)C2)nn1
282123077	ZINC000491441688	high	1.77	-16.84	0	285.344	-0.382	0	5	5	CN(C)C[C@@H]1CN(C(=O)CCN2CCOC2=O)CCO1
282123078	ZINC000119052747	ref	6.67	-38.15	1	256.39	1.602	1	2	4	C[NH+](C)C[C@@H]1CN(C(=O)CCC(C)(C)C)CCO1
282123079	ZINC000119052747	high	4.22	-8.12	0	256.39	1.602	0	3	4	CN(C)C[C@@H]1CN(C(=O)CCC(C)(C)C)CCO1
282123652	ZINC000449156786	ref	7.52	-106.51	2	292.423	2.301	2	2	6	C[C@H](Cc1ccoc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1
365638335	ZINC000336554999	mid	7.92	-42.87	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@@H+]1C[C@@H]2CCCCN2C[C@@H]1C
365638340	ZINC000336554999	high	5.56	-5.06	0	277.412	2.393	0	4	3	Cc1noc(C)c1CCN1C[C@@H]2CCCCN2C[C@@H]1C
342080302	ZINC000625322645	ref	7.67	-41.8	1	266.385	1.568	2	2	7	C=CC[NH+]1CCC(NC(=O)[C@@H](OCC)C2CC2)CC1
342080303	ZINC000625322645	high	5.29	-8.65	0	266.385	1.568	1	3	7	C=CCN1CCC(NC(=O)[C@@H](OCC)C2CC2)CC1
365638347	ZINC000336554436	ref	4.53	-12.72	0	273.361	2.111	1	4	2	C[C@@H]1CSC[C@H]1NC(=O)c1ccc2nccnc2c1
365638352	ZINC000336554498	ref	7.92	-38.64	1	260.381	2.432	2	1	3	Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C
365638355	ZINC000336554498	mid	7.91	-39.31	1	260.381	2.432	2	1	3	Cc1ccc([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)C2)cc1C
282123655	ZINC000449156786	mid	5.32	-37.51	1	292.423	2.301	1	3	6	C[C@H](Cc1ccoc1)[NH2+]C1CCN(C[C@H]2CCOC2)CC1
282123660	ZINC000449156786	high	6.52	-39.1	1	292.423	2.301	2	3	6	C[C@H](Cc1ccoc1)NC1CC[NH+](C[C@H]2CCOC2)CC1
365638361	ZINC000336554495	ref	7.9	-39.29	1	260.381	2.432	2	1	3	Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C
365638364	ZINC000336554495	mid	7.92	-37.13	1	260.381	2.432	2	1	3	Cc1ccc([C@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C
365638374	ZINC000336555020	ref	7.88	-38.03	1	279.405	2.192	1	3	3	c1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2COCCO2)cc1
365638378	ZINC000336555020	mid	7.35	-34.09	1	279.405	2.192	1	3	3	c1ccc([C@@H]2CSCC[N@@H+]2C[C@@H]2COCCO2)cc1
282123664	ZINC000449157319	ref	5.34	-51.96	1	269.41	2.472	1	2	6	CC(C)[C@@H](C)C[NH2+]Cc1cccc(S(C)(=O)=O)c1
343994071	ZINC000625559065	ref	2.69	-9.34	0	205.323	1.528	1	2	6	C/C=C/CNS(=O)(=O)CCC(C)C
214187399	ZINC000053527687	mid	8.67	-20.89	0	348.366	3.118	2	6	5	COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccccn3)n[nH]2)c1
342596707	ZINC000616979796	ref	1.85	-12.64	0	288.369	1.448	1	4	6	CC[C@H](C)N(CC)C(=O)c1coc(S(=O)(=O)NC)c1
342596708	ZINC000616979796	mid	1.4	-40.69	-1	288.369	1.448	0	4	6	CC[C@H](C)N(CC)C(=O)c1coc(S(=O)(=O)[N-]C)c1
214187401	ZINC000053527687	high	8.59	-58.96	-1	348.366	3.118	1	6	5	COc1ccc2c(ccn2CC(=O)Nc2nnc(-c3ccccn3)[n-]2)c1
219048093	ZINC000286547013	ref	4.33	-9.72	0	323.393	0.976	1	5	4	CC[C@@H]1CN(C(=O)C(=O)NCCc2c(C)noc2C)C[C@H](C)O1
219048098	ZINC000286546116	ref	2.84	-10.32	0	322.409	0.317	2	5	5	Cc1cnn(CCNC(=O)C(=O)N(C)C[C@H]2CCCC[C@H]2O)c1
214187402	ZINC000053527687	high	8.5	-60.02	-1	348.366	3.118	1	6	5	COc1ccc2c(ccn2CC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1
214187404	ZINC000053527687	high	8.5	-60.0	-1	348.366	3.118	1	6	5	COc1ccc2c(ccn2CC(=O)Nc2n[n-]c(-c3ccccn3)n2)c1
214187405	ZINC000053529705	ref	6.58	-47.8	1	340.221	1.783	1	4	6	COC[C@H](C)[NH2+]CCn1cnc2ccc(Br)cc2c1=O
219048102	ZINC000286547109	ref	7.91	-10.77	0	313.426	3.185	1	3	4	O=C(NCCc1ccsc1)N1CCC=C(c2ccncc2)C1
219048106	ZINC000286546595	ref	5.15	-11.84	0	317.382	1.96	1	4	9	COC(=O)C[C@H](NS(=O)(=O)CCCCF)c1ccccc1
219048109	ZINC000286546567	ref	9.2	-43.87	1	307.39	2.492	1	4	7	COC(=O)CCC[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1
219048111	ZINC000286546567	mid	9.3	-41.91	1	307.39	2.492	1	4	7	COC(=O)CCC[N@H+]1CCC[C@H](Oc2ccccc2OC)C1
219048113	ZINC000286546567	high	6.81	-9.52	0	307.39	2.492	0	5	7	COC(=O)CCCN1CCC[C@H](Oc2ccccc2OC)C1
219048115	ZINC000286547781	ref	5.49	-10.26	0	301.839	3.415	1	3	4	CC(C)C[C@@]1(CO)CCCN1C(=O)c1sccc1Cl
342596709	ZINC000590796767	ref	3.62	-19.73	0	265.269	1.582	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)Nc1cccc([N+](=O)[O-])c1
342596710	ZINC000590797229	ref	3.86	-10.74	0	260.403	1.855	2	3	7	COCC1(CNC(=O)NCCSC)CCCC1
342596711	ZINC000590797577	ref	3.51	-13.93	0	298.412	1.264	2	5	7	CCO[C@@H]1C[C@@H](NC(=O)NCCSC)[C@H]1n1cccn1
219048116	ZINC000286546985	ref	3.36	-41.54	-1	318.289	1.969	0	7	3	Cc1noc([C@H]2CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1
259308420	ZINC000394137862	ref	5.54	-39.13	0	223.276	1.21	1	4	6	CCC[C@](C)([NH2+]Cc1cncnc1)C(=O)[O-]
342596712	ZINC000590797180	ref	4.57	-35.45	1	255.28	1.801	2	2	4	CC(C)(O)C[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1
219048094	ZINC000097680944	mid	7.9	-44.19	1	334.464	1.702	2	4	5	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C)C[N@H+]1C[C@@H](C)C[C@@H](C)C1
219048096	ZINC000097680944	high	5.52	-9.8	0	334.464	1.702	1	5	5	Cc1nn(C)c(C)c1C(=O)C(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1
219048099	ZINC000097681966	ref	6.83	-21.25	0	348.447	0.819	0	5	4	Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1C(=O)N1CCOCC1
222608791	ZINC000291776066	ref	5.56	-8.72	0	316.323	3.283	0	3	3	COc1ncccc1C(=O)N(C)[C@H]1CCCC[C@H]1C(F)(F)F
342080304	ZINC000625322898	ref	4.97	-46.33	1	293.411	1.058	3	2	5	C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1
342080305	ZINC000625322898	high	2.55	-13.48	0	293.411	1.058	2	3	5	C=C(C)CN1CCC(NC(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1
342080306	ZINC000625311434	ref	4.79	-5.34	0	264.291	1.881	1	1	2	C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F
342080307	ZINC000625311434	mid	6.57	-42.06	1	264.291	1.881	1	1	2	C[C@@H](CC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F
342080308	ZINC000625311434	high	4.79	-5.34	0	264.291	1.881	0	2	2	C[C@@H](CC(=O)N1CCN2CCC[C@H]2C1)C(F)(F)F
282123080	ZINC000533473613	ref	2.79	-16.21	0	292.314	1.253	1	5	6	C[C@@H](C(=O)NCCOc1ncccc1F)c1cnn(C)c1
349535239	ZINC000602430937	mid	7.41	-48.16	1	220.32	1.792	1	3	6	C[C@H](CCC#N)C[N@@H+](C)Cc1cnn(C)c1
214187400	ZINC000293608163	ref	2.0	-17.77	0	369.443	0.431	1	5	5	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
349535242	ZINC000602430937	high	5.48	-10.18	0	220.32	1.792	0	4	6	C[C@H](CCC#N)CN(C)Cc1cnn(C)c1
342080309	ZINC000625323001	ref	4.29	-40.07	1	265.386	1.647	1	5	5	Cc1cnc(C(C)(C)[NH2+]CCc2cn(C)nn2)s1
342080310	ZINC000625323001	high	3.03	-12.2	0	265.386	1.647	1	6	5	Cc1cnc(C(C)(C)NCCc2cn(C)nn2)s1
214190468	ZINC000337635687	ref	4.47	-9.28	0	274.43	2.242	2	3	6	COC1CCC(CNC(=O)NC[C@@H](C)SC)CC1
342080311	ZINC000625323127	ref	0.06	-44.89	1	283.343	1.115	4	3	7	OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(F)cc1
282123081	ZINC000533472559	ref	4.38	-14.41	0	282.384	1.008	1	3	3	C[C@H](O)[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
342080312	ZINC000625323127	high	-1.21	-7.39	0	283.343	1.115	4	4	7	OC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(F)cc1
192037977	ZINC000418428632	ref	0.09	-47.4	1	231.34	0.526	3	2	6	CCC([NH3+])(CC)CNC(=O)N(C)[C@@H](C)CO
342080313	ZINC000625311532	ref	3.15	-8.62	0	266.385	1.092	1	3	3	C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCC23CC3)CC1
349535246	ZINC000258913851	ref	4.49	-45.98	1	243.297	2.319	2	1	6	CC(C)[C@H](CO)C[NH2+]Cc1ccc(F)cc1F
342080314	ZINC000625311532	mid	5.51	-42.28	1	266.385	1.092	2	2	3	C[C@@H](O)C[NH+]1CCN(C(=O)[C@H]2CCCC23CC3)CC1
214187403	ZINC000293615571	ref	2.67	-12.21	0	357.414	0.932	3	6	5	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccnn1Cc1ccccn1
342596713	ZINC000590797180	mid	4.4	-37.49	1	255.28	1.801	2	2	4	CC(C)(O)C[N@H+]1CCC[C@@H](OCC(F)(F)F)C1
197594445	ZINC000162834415	ref	3.0	-15.17	0	307.394	3.197	3	3	7	COc1cc(NC(=O)C[C@@H](C)CC(C)C)ccc1NC(N)=O
365638342	ZINC000172922089	low	5.76	-52.21	1	286.335	1.063	2	3	6	CNC(=O)c1cccc(C(=O)NCCCn2cc[nH+]c2)c1
214187408	ZINC000293609026	ref	6.07	-76.21	0	364.431	0.309	2	6	5	C[C@@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C[NH+](C)C
398245664	ZINC000651430998	ref	4.95	-7.68	0	276.405	3.141	1	4	3	C[C@@H](CO)C1CCN(c2nc3ccccc3s2)CC1
365638348	ZINC000172921210	ref	7.14	-14.3	0	274.353	1.706	0	7	3	Cc1nc(Cn2cnc3c(N(C)C)ncnc32)cs1
365638357	ZINC000172923900	ref	5.86	-51.22	1	288.351	1.727	2	4	6	Cc1noc(-c2ccccc2C(=O)NCCC[NH+](C)C)n1
210256907	ZINC000000641464	ref	3.69	-10.73	0	373.434	3.032	3	5	5	COc1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2cccs2)c(OC)c1
197594447	ZINC000162827359	ref	7.74	-10.15	0	311.834	2.615	0	3	2	O=C(Cc1cccc(Cl)c1)N1CCS[C@H]2COCC[C@H]21
342596714	ZINC000590797180	high	2.62	-5.03	0	255.28	1.801	1	3	4	CC(C)(O)CN1CCC[C@@H](OCC(F)(F)F)C1
214187410	ZINC000293613030	ref	-2.68	-19.26	0	370.431	0.728	3	6	9	CCc1nc(C)c(CNC(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)o1
214187414	ZINC000293615163	ref	2.51	-11.19	0	363.414	0.926	3	5	5	CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@@H]2C)cc1
210256913	ZINC000000646302	ref	5.91	-18.89	0	360.744	3.92	1	3	1	O=S1(=O)N=C(Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc21
342596715	ZINC000590797497	ref	3.49	-10.07	0	260.403	1.855	2	3	8	COCC1(CCNC(=O)NCCSC)CCC1
197594453	ZINC000162833941	ref	10.79	-20.45	0	314.389	3.044	1	5	5	CC[C@H](C)Oc1ccc(C(=O)Nc2nnc3n2CCCC3)cc1
210256918	ZINC000000640973	ref	10.52	-14.6	0	356.47	4.587	2	2	6	CCN(CC)C(=O)Nc1cccc2c(NC(=O)N(CC)CC)cccc12
342596716	ZINC000590797218	ref	5.28	-36.34	1	278.396	1.977	2	3	5	CCN1C[C@@H](C[N@H+](C)CC(C)(C)O)Oc2ccccc21
342596717	ZINC000590797218	mid	5.19	-37.07	1	278.396	1.977	2	3	5	CCN1C[C@@H](C[N@@H+](C)CC(C)(C)O)Oc2ccccc21
343994074	ZINC000129385563	ref	6.27	-8.98	0	235.331	1.752	0	3	3	C[C@@H]1CC[C@@H](C)N1C(=O)CCc1ccnn1C
214187417	ZINC000293613281	ref	3.56	-18.07	0	350.415	0.939	2	5	7	COc1ccc(CN(CCO)C(=O)[C@@H]2C[C@H](C)CC(=O)N2)c(OC)c1
398245665	ZINC000650859437	ref	4.72	-16.5	0	299.273	1.846	1	4	5	COC1(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)CC1
365638350	ZINC000576599554	ref	9.86	-39.96	1	229.367	3.46	1	0	4	Cc1ccccc1CC[NH2+][C@@H]1CCCC12CC2
230732478	ZINC000450418479	ref	2.49	-14.98	0	323.418	1.963	1	5	4	CCNS(=O)(=O)[C@@H]1CCN(c2nc3cc(C)cc(C)c3o2)C1
349535240	ZINC000621244124	ref	5.18	-8.34	0	293.392	2.472	1	5	7	CCOCCn1cc(C(=O)N[C@@H](C)c2cccs2)cn1
365638358	ZINC000576599715	ref	6.47	-42.91	1	249.358	1.776	1	3	4	Cc1ncc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)n1C
398245670	ZINC000650859260	ref	2.64	-12.44	0	283.343	1.396	3	3	8	CCC[C@@H](O)CC(=O)NC[C@H](O)Cc1cccc(F)c1
398245673	ZINC000650859480	ref	5.37	-40.73	1	283.416	1.443	3	2	7	C[C@@H](COCC1CC1)NC(=O)NC[C@H]1CCC[N@H+](C)C1
365638363	ZINC000576599715	low	6.95	-100.55	2	249.358	1.776	1	2	4	Cc1[nH+]cc(C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)n1C
365638369	ZINC000576599715	high	5.5	-7.54	0	249.358	1.776	1	4	4	Cc1ncc(CN[C@@]2(C)CCO[C@H]2C2CC2)n1C
365638379	ZINC000343867074	ref	4.02	-9.31	0	243.347	1.28	1	3	8	COCCN(CCO)C(=O)CC(C)(C)C1CC1
398245676	ZINC000650859480	mid	5.81	-40.11	1	283.416	1.443	3	2	7	C[C@@H](COCC1CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1
199273111	ZINC000181263288	low	11.49	-34.31	1	305.385	2.965	0	4	2	Cc1cccc(C2=CCN(c3[nH+]cnc4c3cnn4C)CC2)c1
290622749	ZINC000492522412	ref	4.56	-13.02	0	285.347	2.054	2	4	6	C[C@H](CNC(=O)/C=C\c1ccc(O)cc1)Cn1cccn1
398245678	ZINC000650859480	high	3.41	-6.85	0	283.416	1.443	2	3	7	C[C@@H](COCC1CC1)NC(=O)NC[C@H]1CCCN(C)C1
398245681	ZINC000650859057	ref	4.84	-7.73	0	270.373	1.622	1	3	6	CC[C@@H]1CN(C(=O)NCCOCC2CC2)[C@@H](C)CO1
342080315	ZINC000625323522	ref	3.7	-36.97	1	253.317	1.975	2	2	5	C[C@@H]([NH2+]Cc1cc(CO)ccc1F)[C@H]1CCCO1
199273113	ZINC000181265486	ref	-0.31	-8.61	0	312.753	1.26	4	4	5	C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1O
342080316	ZINC000625323522	high	2.79	-5.68	0	253.317	1.975	2	3	5	C[C@@H](NCc1cc(CO)ccc1F)[C@H]1CCCO1
342080317	ZINC000625322872	ref	3.64	-11.22	0	252.314	1.654	1	3	5	COc1cccc([C@H](CNC(=O)N(C)C)OC)c1
342080318	ZINC000625322892	ref	2.44	-40.22	1	273.174	1.951	2	2	5	C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccncc1Br
342080319	ZINC000625322892	high	1.3	-5.89	0	273.174	1.951	2	3	5	C[C@@H](CO)[C@@H](C)NCc1ccncc1Br
342080320	ZINC000625323178	ref	5.29	-41.57	1	252.358	1.178	2	2	5	C=CC[NH+]1CCC(NC(=O)C2CC(OC)C2)CC1
342080321	ZINC000625323178	high	2.92	-9.36	0	252.358	1.178	1	3	5	C=CCN1CCC(NC(=O)C2CC(OC)C2)CC1
349535241	ZINC000594969011	ref	8.77	-52.72	1	256.353	2.732	1	3	6	CC[C@H](C)CC[NH2+]Cc1cnc2ccc(C#N)cn12
214187406	ZINC000053529705	high	5.35	-9.55	0	340.221	1.783	1	5	6	COC[C@H](C)NCCn1cnc2ccc(Br)cc2c1=O
343994077	ZINC000625559078	ref	0.88	-18.67	0	234.321	-0.041	1	3	5	C/C=C/CNS(=O)(=O)[C@H](C)C(=O)N(C)C
190493971	ZINC000269434500	ref	5.62	-10.05	0	293.363	3.048	2	3	4	Cc1ccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)s1
349535245	ZINC000594968666	ref	6.5	-43.12	1	252.358	2.716	2	2	6	CCC(C)(C)[C@H](C)[NH2+]Cc1c[nH]c(C(=O)OC)c1
178303706	ZINC000103596932	ref	4.63	-42.7	-1	221.285	1.657	1	3	1	Cc1cc2[n-]c(=S)n(C3CC3)c(=O)c2[nH]1
190493973	ZINC000269430738	ref	4.78	-11.16	0	299.374	2.214	2	4	3	Cc1cc(C(=O)N[C@H]2CCCC[C@H]2O)nn1-c1ccccc1
168364886	ZINC000368499277	high	5.32	-10.93	0	328.412	3.149	2	4	5	COc1cccc2cc([C@H](C)N[C@@H]3CCC(=O)N[C@H]3C3CC3)oc12
136229328	ZINC000195248767	ref	5.2	-55.03	1	240.347	0.869	1	2	5	CCCCO[C@@H](C)C(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
178303709	ZINC000103596932	mid	5.1	-10.99	0	221.285	1.657	2	3	1	Cc1cc2[nH]c(=S)n(C3CC3)c(=O)c2[nH]1
178303711	ZINC000032099848	ref	6.59	-5.26	0	236.112	3.614	0	1	0	Cc1cc2nccc(Br)c2cc1C
185089220	ZINC000096075971	high	3.55	-7.3	0	261.325	1.375	0	4	3	O=C(c1ccno1)N1CC[C@]2(CCN2CC2CC2)C1
349535249	ZINC000594969764	ref	5.65	-52.0	1	299.411	2.614	1	2	5	COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1
349535251	ZINC000594969764	high	4.83	-12.53	0	299.411	2.614	1	3	5	COc1ccc(F)cc1CN[C@@H]1CCC[C@@H]([S@@](C)=O)C1
190493976	ZINC000269430305	ref	7.65	-8.62	0	295.448	3.097	1	3	9	CO[C@@H](C)CCNC(=O)[C@H](C)CSCc1ccccc1
214187409	ZINC000053527888	ref	3.67	-11.18	0	333.432	1.874	1	4	5	COc1ccc([C@H](CNC(=O)N2CCCC2)N2CCOCC2)cc1
178303714	ZINC000019836487	ref	5.45	-11.27	0	224.267	2.287	1	4	1	Cc1cc2nccc(-c3ccc(N)cc3)n2n1
214187412	ZINC000053527720	ref	5.4	-67.55	1	345.262	2.038	1	3	6	CS(=O)(=O)CC[NH2+]CCn1ccc2cc(Br)ccc21
178303720	ZINC000040538447	ref	3.08	-44.96	-1	239.256	0.736	2	5	3	Cc1cc2nc(SCC(=O)[O-])[nH]c(=O)c2[nH]1
185089222	ZINC000096075952	ref	5.49	-37.57	1	275.352	1.018	1	3	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1ccccn1)C2
365638354	ZINC000623070824	ref	5.99	-89.5	2	318.421	1.343	3	2	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3OCC[NH2+][C@@H]3C2)c1
178303726	ZINC000040538447	high	1.94	-104.01	-2	239.256	0.736	1	5	3	Cc1cc2nc(SCC(=O)[O-])[n-]c(=O)c2[nH]1
214187415	ZINC000053527720	high	4.06	-16.2	0	345.262	2.038	1	4	6	CS(=O)(=O)CCNCCn1ccc2cc(Br)ccc21
349535244	ZINC000621241860	ref	6.77	-49.38	-1	275.295	2.183	1	3	7	O=C([O-])CC1(CC(=O)NCC[C@H]2CC2(F)F)CCC1
349535247	ZINC000621241946	ref	6.79	-37.91	1	260.381	2.223	2	1	6	CC(C)[NH2+]CC(=O)NCC1(c2ccccc2)CCC1
349535250	ZINC000621241946	high	5.59	-6.82	0	260.381	2.223	2	2	6	CC(C)NCC(=O)NCC1(c2ccccc2)CCC1
185089224	ZINC000096075952	mid	5.59	-37.03	1	275.352	1.018	1	3	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1ccccn1)C2
185089226	ZINC000096075952	mid	2.5	-9.78	0	275.352	1.018	0	4	4	COCCN1CC[C@]12CCN(C(=O)c1ccccn1)C2
349535254	ZINC000621242171	ref	7.54	-59.29	-1	253.342	2.184	1	3	5	CC1CC(CNC(=O)CC2(C(=O)[O-])CCCC2)C1
349535257	ZINC000621244023	ref	5.35	-15.09	0	276.365	2.482	2	4	3	NC(=O)c1c[nH]c2ncnc(SC3CCCCC3)c12
349535260	ZINC000621244023	low	5.55	-33.4	1	276.365	2.482	2	3	3	NC(=O)c1c[nH]c2nc[nH+]c(SC3CCCCC3)c12
349535263	ZINC000621242358	ref	8.02	-55.34	-1	284.315	2.267	0	5	2	O=C([O-])c1c(-c2cccc3c2CCC3)nc2n1CCOC2
349535266	ZINC000621243877	ref	6.58	-6.82	0	275.327	2.075	1	4	6	COC[C@H](C)Nc1ccnc(Cc2ccc(F)cc2)n1
214187407	ZINC000337630476	ref	8.84	-15.73	0	285.318	3.149	0	2	4	CCN(C)C(=O)c1ccccc1C(=O)c1ccc(F)cc1
349535269	ZINC000621242097	ref	7.37	-58.56	-1	255.358	2.43	1	3	7	CCC(CC)(CC(=O)NCC1CC(C)C1)C(=O)[O-]
342080322	ZINC000625323104	ref	1.74	-40.31	1	279.38	1.284	4	3	7	Cc1ccccc1[C@@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1
349535272	ZINC000621243892	ref	2.27	-6.81	0	287.182	2.273	2	3	2	C[C@H](O)CN=c1[nH]c2c(Br)cccc2s1
282123082	ZINC000533472424	ref	3.67	-9.57	0	275.348	1.95	1	3	2	C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1
342080323	ZINC000625323104	high	0.71	-6.96	0	279.38	1.284	4	4	7	Cc1ccccc1[C@@H](CO)NC[C@H](O)CC1(O)CCC1
282123083	ZINC000533473329	ref	3.04	-11.01	0	270.329	1.469	1	4	5	O=C(NCCOc1ncccc1F)[C@H]1CCSC1
342080324	ZINC000625310759	ref	6.47	-43.44	1	276.327	1.353	1	2	5	C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)COCC(F)F
342080325	ZINC000625310759	mid	7.56	-41.52	1	276.327	1.353	1	2	5	C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)COCC(F)F
342080326	ZINC000625310759	high	4.03	-15.19	0	276.327	1.353	0	3	5	CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)COCC(F)F
342080327	ZINC000625311441	ref	5.46	-39.25	1	296.333	1.49	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@H]([C@H](C)O)C1
342080328	ZINC000625311441	mid	5.41	-38.55	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]([C@H](C)O)C1
342080329	ZINC000625311441	mid	5.46	-39.25	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]([C@H](C)O)C1
178303707	ZINC000237237159	ref	7.65	-52.54	1	359.47	1.815	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)C1
178303710	ZINC000237227321	ref	5.74	-46.02	1	373.247	1.406	2	4	9	COCC[NH2+]CC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1
214187411	ZINC000337628490	ref	3.97	-43.75	1	287.404	0.511	3	3	8	CCN(CCOCCO)C(=O)NC1CC[NH+](CC)CC1
342596718	ZINC000590797218	high	3.32	-6.27	0	278.396	1.977	1	4	5	CCN1C[C@@H](CN(C)CC(C)(C)O)Oc2ccccc21
178303713	ZINC000237227321	high	4.37	-14.96	0	373.247	1.406	2	5	9	COCCNCC(=O)N[C@H](CC(=O)OC)c1cccc(Br)c1
365638362	ZINC000623070824	mid	4.7	-47.18	1	318.421	1.343	3	3	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3OCCN[C@@H]3C2)c1
178303716	ZINC000237234639	ref	7.17	-59.24	-1	360.179	1.831	0	4	4	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2ccc(F)c(Br)c2)C1
214187413	ZINC000337628490	high	1.63	-13.25	0	287.404	0.511	2	4	8	CCN1CCC(NC(=O)N(CC)CCOCCO)CC1
178303718	ZINC000237225262	ref	7.78	-58.63	-1	369.215	1.735	0	4	5	CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1
214187416	ZINC000337629703	ref	4.17	-16.52	0	289.335	2.068	2	5	4	Cc1cc(NC(=O)COc2cnn(C)c2)c(C)c(C)c1O
282123084	ZINC000533471887	ref	5.09	-42.05	1	297.443	1.663	3	2	4	C[C@@H](O)[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1
178303721	ZINC000237223505	ref	7.88	-47.41	1	353.466	1.956	2	2	6	C[NH2+]C[C@@H]1CCCN(C(=O)CNC(=O)Cc2cccc3ccccc23)C1
178303724	ZINC000237236065	ref	4.14	-50.14	1	370.515	1.937	1	4	9	COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1
178303727	ZINC000237229933	ref	4.47	-60.68	1	357.432	1.789	2	5	7	COc1cc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)ccc1[N+](=O)[O-]
136229329	ZINC000293193714	ref	5.42	-8.21	0	220.272	1.751	1	2	3	C#C[C@@H](C)NC(=O)N(C)Cc1occc1C
259308422	ZINC000356845841	ref	-0.62	-11.38	0	246.266	1.413	2	4	4	C=C[C@H](CO)NC(=O)c1ccc2nc(C)oc2c1
178303733	ZINC000237230601	ref	7.69	-56.84	1	360.437	1.362	1	5	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)C1
178303735	ZINC000237235001	ref	3.99	-49.48	1	359.43	1.164	1	6	7	COCCOc1ccc(-n2nc(C)c(C(=O)N3CCC[C@@H]3C[NH3+])n2)cc1
178303742	ZINC000237233586	ref	6.32	-59.41	1	359.47	1.426	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3CC[C@H]([NH3+])C3)CC2)cc1
178305339	ZINC000019423827	low	7.24	-39.22	1	219.313	1.939	1	2	2	Cc1cc2[nH+]cn(CC(N)=S)c2cc1C
398245666	ZINC000651431809	ref	5.09	-9.44	0	282.294	3.0	1	4	5	CCCc1cc(-c2nc(CC3CC(F)(F)C3)no2)n[nH]1
349535248	ZINC000258913851	high	4.48	-5.31	0	243.297	2.319	2	2	6	CC(C)[C@H](CO)CNCc1ccc(F)cc1F
210256925	ZINC000000641408	ref	11.08	-17.51	0	374.44	4.58	1	3	4	O=C(Nc1ccc2ccccc2c1)[C@@H]1CCCN1C(=O)OCc1ccccc1
214187418	ZINC000053537224	ref	5.39	-64.69	1	345.262	2.038	1	3	6	CS(=O)(=O)CC[NH2+]CCn1ccc2ccc(Br)cc21
210256927	ZINC000000643522	ref	8.06	-14.11	0	357.362	2.911	1	6	6	CCOc1ccc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)cc1
365638365	ZINC000623070824	high	2.21	-10.17	0	318.421	1.343	2	4	3	CN(C)Cc1cccc(NC(=O)N2CC[C@H]3OCCN[C@@H]3C2)c1
398245667	ZINC000649443992	ref	3.62	-8.66	0	202.257	1.888	1	3	2	Cc1c(-c2ccc(CO)cc2)cnn1C
365638372	ZINC000623070825	ref	5.89	-89.45	2	318.421	1.343	3	2	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)c1
365638376	ZINC000623070825	mid	4.61	-45.99	1	318.421	1.343	3	3	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H]3OCCN[C@H]3C2)c1
365638381	ZINC000623070825	high	2.12	-8.85	0	318.421	1.343	2	4	3	CN(C)Cc1cccc(NC(=O)N2CC[C@H]3OCCN[C@H]3C2)c1
282123085	ZINC000533473208	ref	4.94	-8.41	0	281.356	1.845	2	4	3	CC(C)c1cc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)no1
282123086	ZINC000533471884	ref	5.09	-42.48	1	297.443	1.663	3	2	4	C[C@H](O)[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1
398245669	ZINC000649444118	ref	7.8	-9.55	0	228.213	3.941	0	1	2	C=C(C)c1ccc(C(C)=O)c(C(F)(F)F)c1
210256944	ZINC000000643757	ref	9.48	-10.46	0	362.454	5.724	1	5	5	COc1ccc(OC)c(Nc2nc(-c3ccc4ccccc4c3)cs2)c1
214187419	ZINC000053537224	high	4.05	-15.8	0	345.262	2.038	1	4	6	CS(=O)(=O)CCNCCn1ccc2ccc(Br)cc21
210256956	ZINC000000644908	ref	10.12	-9.05	0	360.24	5.226	1	2	5	O=C(NCCc1ccccc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1
210256960	ZINC000000646344	ref	7.83	-19.59	0	358.463	3.704	2	4	8	CCOc1ccccc1NC(=O)CSCC(=O)Nc1ccc(C)cc1
342080330	ZINC000625322882	ref	5.92	-41.54	1	266.385	1.568	2	2	5	C=C(C)C[NH+]1CCC(NC(=O)C2CC(OC)C2)CC1
342080331	ZINC000625322882	high	3.51	-9.19	0	266.385	1.568	1	3	5	C=C(C)CN1CCC(NC(=O)C2CC(OC)C2)CC1
342080332	ZINC000625323520	ref	3.71	-34.85	1	253.317	1.975	2	2	5	C[C@H]([NH2+]Cc1cc(CO)ccc1F)[C@@H]1CCCO1
342080333	ZINC000625323520	high	2.46	-5.75	0	253.317	1.975	2	3	5	C[C@H](NCc1cc(CO)ccc1F)[C@@H]1CCCO1
342080334	ZINC000625311317	ref	6.42	-11.22	0	276.262	1.818	1	4	5	C[C@@H](CC(=O)NCc1nncn1C1CC1)C(F)(F)F
365638367	ZINC000617439912	high	3.76	-17.13	0	251.334	0.74	1	5	4	CC[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)N(C)C
342080335	ZINC000050960547	ref	5.79	-56.37	1	260.337	1.84	2	2	2	O=C(Nc1cccc2c1CC[NH2+]C2)[C@H]1CCCCO1
342080336	ZINC000050960547	high	4.38	-11.33	0	260.337	1.84	2	3	2	O=C(Nc1cccc2c1CCNC2)[C@H]1CCCCO1
398245668	ZINC000651431909	ref	6.97	-10.38	0	290.417	3.334	0	6	3	Cc1nc(SCc2cnn(C)c2)c2c(C)csc2n1
342080337	ZINC000625310810	ref	6.41	-39.09	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)C(C)C
299072266	ZINC000567660212	ref	6.97	-42.08	1	290.407	2.322	1	2	5	COCc1ccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)cc1
342080338	ZINC000625310810	mid	5.77	-39.68	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)C(C)C
342080339	ZINC000625310810	high	3.98	-8.17	0	295.427	1.232	1	3	4	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)C(C)C
342080340	ZINC000625322586	ref	4.66	-39.69	1	265.386	1.727	1	5	6	CCc1nc([C@@H](C)[NH2+]CCc2cn(C)nn2)cs1
365638370	ZINC000617442051	ref	2.22	-16.91	0	279.344	0.121	1	6	3	CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365638377	ZINC000617442375	ref	1.31	-62.09	-1	262.273	0.451	2	6	2	Cc1n[nH]c(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c1[O-]
342080341	ZINC000625322586	mid	3.46	-11.62	0	265.386	1.727	1	6	6	CCc1nc([C@@H](C)NCCc2cn(C)nn2)cs1
342080342	ZINC000625322849	ref	2.48	-40.52	1	295.379	1.514	2	4	8	COc1cccc([C@H](CO)[NH2+]CCOC2CCOCC2)c1
349535252	ZINC000602430761	ref	8.19	-42.87	1	238.331	1.954	1	3	5	COC(=O)[C@@H]1CCCC[N@@H+]1C[C@@H](C)CCC#N
342080343	ZINC000625322849	high	1.21	-7.41	0	295.379	1.514	2	5	8	COc1cccc([C@H](CO)NCCOC2CCOCC2)c1
349535255	ZINC000602430761	mid	8.36	-42.46	1	238.331	1.954	1	3	5	COC(=O)[C@@H]1CCCC[N@H+]1C[C@@H](C)CCC#N
342080344	ZINC000625310997	ref	2.64	-12.02	0	260.288	1.061	1	4	5	Cn1cc(CC[N@@H+]2CCC[C@@H](OC(F)F)C2)nn1
342080345	ZINC000625310997	mid	4.87	-43.16	1	260.288	1.061	1	4	5	Cn1cc(CC[N@H+]2CCC[C@@H](OC(F)F)C2)nn1
185089230	ZINC000096076190	ref	6.04	-40.1	1	278.4	0.964	1	4	2	Cn1ccc(CN2CCC[C@]3(COCC[N@H+](C)C3)C2)n1
342080346	ZINC000625310997	mid	2.64	-12.02	0	260.288	1.061	0	5	5	Cn1cc(CCN2CCC[C@@H](OC(F)F)C2)nn1
342080347	ZINC000625322588	ref	7.2	-46.39	1	290.411	1.982	2	3	5	C=C(C)C[NH+]1CCC(NC(=O)c2cn(CC)nc2C)CC1
342080348	ZINC000625322588	high	4.79	-11.86	0	290.411	1.982	1	4	5	C=C(C)CN1CCC(NC(=O)c2cn(CC)nc2C)CC1
365639497	ZINC000175986136	ref	6.35	-11.0	0	218.3	1.985	1	2	3	N#CC1(NC(=O)[C@@H]2C[C@@H]2C2CC2)CCCC1
365638368	ZINC000172916793	ref	4.93	-13.16	0	276.34	1.566	2	2	2	CCNC(=O)N1CCN(C(=O)Nc2ccccc2)CC1
282123087	ZINC000533472938	ref	3.38	-12.22	0	266.341	1.624	2	3	4	C[C@H](O)[C@@H]1CCCN(C(=O)NCCc2ccco2)C1
282123088	ZINC000533473629	ref	-0.65	-9.73	0	273.358	1.224	3	5	6	CCc1ncsc1NC(=O)NC[C@@](C)(O)COC
342596719	ZINC000590797425	ref	4.45	-12.37	0	267.398	1.985	2	3	7	CSCCNC(=O)NCCCc1ncccc1C
342596720	ZINC000590797399	ref	5.26	-10.68	0	260.403	1.806	1	3	5	CCO[C@H]1CCN(C(=O)NCCSC)C[C@@H]1C
365638380	ZINC000172922786	ref	4.55	-12.05	0	291.347	1.714	1	4	6	COCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2
365638390	ZINC000189263094	ref	2.77	-9.15	0	259.309	1.234	2	4	4	N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2CCO)nc1
365638403	ZINC000172918558	ref	3.98	-13.7	0	273.13	1.619	1	2	3	CCN(CC)C(=O)c1c[nH]c(=O)c(Br)c1
398245671	ZINC000651442466	ref	5.47	-11.77	0	294.395	3.29	0	5	5	CC(=O)C(C)(C)CCc1nc([C@H]2CCOC(C)(C)C2)no1
342596721	ZINC000590797305	ref	4.25	-14.42	0	260.334	1.054	2	4	9	CCC[C@@H](C)NC(=O)NCCOCC(=O)OCC
282123089	ZINC000533472180	ref	4.45	-10.13	0	262.353	1.634	1	3	4	C[C@H](O)[C@H]1CCCN(C(=O)CCc2ccncc2)C1
365638412	ZINC000172923090	ref	3.56	-14.79	0	275.308	1.811	1	5	6	COCCCNC(=O)c1ccccc1-c1nc(C)no1
342596722	ZINC000590797205	ref	2.37	-7.1	0	268.357	1.648	2	3	3	CCC1CCC2(CC1)NC(=O)N(CC(C)(C)O)C2=O
342596723	ZINC000590797573	ref	4.77	-9.3	0	278.308	1.047	2	4	5	COC(=O)C1(CNC(=O)C(=O)c2ccc[nH]2)CCCC1
342596724	ZINC000590797400	ref	5.52	-10.22	0	260.403	1.806	1	3	5	CCO[C@@H]1CCN(C(=O)NCCSC)C[C@@H]1C
365638421	ZINC000172919917	ref	3.55	-19.69	0	291.351	1.755	2	3	6	CCCCNC(=O)c1ccc(OC)c(N2CCNC2=O)c1
365638435	ZINC000172916842	ref	8.56	-10.85	0	290.392	1.965	1	5	7	C[C@@H](CNC(=O)CCn1cncn1)Sc1ccccc1
214187420	ZINC000293607781	ref	4.85	-50.54	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1
342596725	ZINC000616979555	ref	0.52	-13.65	0	274.342	1.188	1	4	5	CC[C@@H](C)N(CC)C(=O)c1coc(S(N)(=O)=O)c1
365638440	ZINC000172921728	ref	6.03	-11.75	0	292.404	1.762	1	3	5	C[C@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Sc1ccccc1
365638446	ZINC000172918243	ref	5.42	-12.5	0	289.331	1.42	0	4	2	O=C([C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)N1CCOCC1
342596726	ZINC000590797150	ref	3.01	-17.8	0	295.295	1.59	2	5	3	COc1ccc([N+](=O)[O-])cc1NC(=O)N1CC[C@@H](O)[C@H]1C
365638457	ZINC000172919990	ref	2.7	-11.17	0	273.13	1.667	2	2	4	CCCCNC(=O)c1c[nH]c(=O)c(Br)c1
398245672	ZINC000649443921	ref	4.26	-7.66	0	236.702	2.541	1	3	2	Cc1c(-c2ccc(CO)c(Cl)c2)cnn1C
361823542	ZINC000531821723	ref	5.74	-13.2	0	259.313	1.385	0	5	2	CC[C@@H]1C[C@H](C)CN1C(=O)c1ccc2nnnn2c1
290622751	ZINC000492522667	ref	5.36	-11.89	0	288.347	2.131	1	3	5	CON(C(=O)/C=C/c1ccc(C(N)=O)cc1)C1CCCC1
282123090	ZINC000533472462	ref	1.97	-6.59	0	291.273	1.625	1	5	3	COc1cc(N2CCC([C@@H](O)C(F)(F)F)CC2)ncn1
282123091	ZINC000533472558	ref	4.58	-13.85	0	282.384	1.008	1	3	3	C[C@H](O)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
214187422	ZINC000053521323	ref	11.3	-17.58	0	348.475	4.229	2	3	4	S=C(Nc1ccc2c(c1)CCC2)Nc1cnn(Cc2ccccc2)c1
349535253	ZINC000594969056	ref	8.84	-56.29	1	298.386	2.565	1	3	6	COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1ccnc2ccccc12
282123092	ZINC000533472685	ref	2.42	-10.94	0	264.329	1.41	2	4	2	Cc1ncc(NC(=O)N2CCC[C@H]([C@@H](C)O)C2)cn1
342596727	ZINC000590797250	ref	2.74	-13.31	0	259.4	1.656	2	4	6	CSCCNC(=O)NCCc1scnc1C
230732516	ZINC000450419653	ref	6.64	-18.57	0	301.39	1.991	1	4	6	Cc1ccn(CC(=O)N(Cc2ccccc2)CC(C)(C)O)n1
342596728	ZINC000590797212	ref	4.53	-8.7	0	262.309	1.615	1	3	3	C[C@H]1C(=O)N(CC(C)(C)O)C(=O)N1c1ccccc1
214187427	ZINC000053525686	ref	7.01	-13.08	0	345.443	2.911	1	4	8	Cc1ccccc1OCCN(C)C(=O)NC[C@H](c1ccco1)N(C)C
361823551	ZINC000531822467	ref	2.37	-22.09	0	290.344	1.275	2	3	3	O=C(NCc1ccc2c(c1)CCS2(=O)=O)c1cc[nH]c1
361823560	ZINC000531822279	ref	3.63	-12.59	0	294.395	1.353	2	3	3	NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)[C@H]1CC12CCOCC2
361823563	ZINC000616604778	ref	2.85	-6.03	0	258.325	1.327	1	5	3	Nc1ccn([C@@H]2CN(Cc3ccccc3)CCO2)n1
361823568	ZINC000616604778	low	5.3	-38.41	1	258.325	1.327	2	4	3	Nc1ccn([C@@H]2C[N@H+](Cc3ccccc3)CCO2)n1
361823572	ZINC000616604778	low	6.0	-34.38	1	258.325	1.327	2	4	3	Nc1ccn([C@@H]2C[N@@H+](Cc3ccccc3)CCO2)n1
361823578	ZINC000616604731	ref	2.22	-47.69	1	257.337	1.567	1	3	3	[NH3+]CCN1CCO[C@@H](c2cccc3ccncc23)C1
361823663	ZINC000612425501	ref	4.49	-15.59	0	305.353	2.148	2	4	6	CC[C@@H](C)[C@H](O)CNC(=O)c1c(F)cccc1-n1cccn1
361823668	ZINC000612424494	ref	2.8	-14.39	0	301.289	2.145	2	4	5	CC[C@@H](C)[C@@H](O)CNC(=O)c1cccc2c1OC(F)(F)O2
361823673	ZINC000612424093	ref	3.08	-6.64	0	307.381	2.494	2	3	7	CCC(CC)[C@H](O)CNC(=O)C1(OC)CCC(F)(F)CC1
178303729	ZINC000070166025	ref	5.39	-13.78	0	242.286	1.383	1	6	3	Cc1cc2ncc(CNc3ccn(C)n3)cn2n1
342080349	ZINC000625323521	ref	3.45	-35.04	1	253.317	1.975	2	2	5	C[C@H]([NH2+]Cc1cc(CO)ccc1F)[C@H]1CCCO1
178303736	ZINC000263907687	ref	5.19	-9.5	0	244.298	1.484	1	4	2	Cc1cc2ncc(C(=O)N[C@H]3C[C@H]3C)c(C)n2n1
210256965	ZINC000000645776	ref	5.03	-18.17	0	362.813	3.31	3	4	6	CCOc1ccc(NC(=O)[C@H](C)O)c(NC(=O)c2ccc(Cl)cc2)c1
178303740	ZINC000111387930	ref	3.18	-15.86	0	225.251	1.919	2	3	0	Cc1cc2nc3ccc(=O)cc-3[nH]c2cc1N
210256970	ZINC000000643945	ref	4.03	-15.24	0	361.81	2.939	1	5	3	CS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2ccc3ccccc3c2)n1
210256975	ZINC000000645519	ref	9.77	-11.34	0	350.357	2.74	2	6	3	CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccncc2)n2ncnc2N1
398245674	ZINC000651443902	ref	5.96	-5.99	0	262.353	3.4	0	4	2	CC1(C)C[C@@H](c2noc([C@H]3CC34CCC4)n2)CCO1
342080350	ZINC000625323521	high	2.21	-6.17	0	253.317	1.975	2	3	5	C[C@H](NCc1cc(CO)ccc1F)[C@H]1CCCO1
342080351	ZINC000625322897	ref	5.01	-45.72	1	293.411	1.058	3	2	5	C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1
178303754	ZINC000001390410	ref	0.79	-14.79	0	226.261	0.023	1	6	1	Cc1cc2ncc(S(C)(=O)=O)c(N)n2n1
178303761	ZINC000020188629	ref	3.07	-53.98	1	248.33	1.379	2	4	5	Cc1cc2ncc([C@@H](C)[NH2+]CCCO)c(C)n2n1
178303763	ZINC000020188629	high	1.9	-11.65	0	248.33	1.379	2	5	5	Cc1cc2ncc([C@@H](C)NCCCO)c(C)n2n1
178303766	ZINC000027562548	ref	6.8	-12.2	0	241.275	2.089	0	5	0	Cc1cc2nc3ccc(C#N)cn3c(=O)c2s1
178303773	ZINC000057522171	ref	-0.79	-14.33	0	238.272	0.137	3	4	3	Cc1cc2nc(SCC(N)=O)[nH]c(=O)c2[nH]1
190493989	ZINC000269433156	ref	6.69	-11.5	0	266.293	2.178	0	5	4	COc1ccc(OC(=O)[C@H]2CCCCO2)cc1OC
210256981	ZINC000000644762	ref	9.32	-15.16	0	365.345	2.016	1	8	4	COC(=O)c1nc(N)nc(C(=O)OC)c1C(=O)c1ccc2ccccc2c1
210256985	ZINC000000641628	ref	10.21	-35.84	1	359.207	2.932	1	2	4	C[C@@H](C[NH+]1CCCC1)OC(=O)c1ccccc1I
210256923	ZINC000004713160	ref	10.63	-6.66	0	336.826	4.942	0	4	4	Cc1ccc(C(C)N=Nc2cc(Cl)nc(-c3ccccc3)n2)cc1
214187423	ZINC000293607781	mid	4.02	-48.84	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1
178303779	ZINC000057522171	high	-1.93	-51.33	-1	238.272	0.137	2	4	3	Cc1cc2nc(SCC(N)=O)[n-]c(=O)c2[nH]1
365638383	ZINC000336555020	high	6.16	-3.57	0	279.405	2.192	0	4	3	c1ccc([C@@H]2CSCCN2C[C@@H]2COCCO2)cc1
365638388	ZINC000336554921	ref	7.03	-38.43	1	250.342	2.232	1	3	3	Cc1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)no1
365638392	ZINC000336554921	mid	7.13	-38.71	1	250.342	2.232	1	3	3	Cc1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)no1
365638395	ZINC000336554921	mid	4.4	-6.86	0	250.342	2.232	0	4	3	Cc1cc(CN2CC[C@@H](C3CCOCC3)C2)no1
365638402	ZINC000336554995	ref	7.66	-38.46	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@H]2CCCC[N@H+]2C[C@H]1C
365638405	ZINC000336554995	mid	7.61	-37.2	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C
365638410	ZINC000336554995	mid	7.91	-42.61	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@H+]1C[C@H]2CCCCN2C[C@H]1C
365638413	ZINC000336554995	mid	7.67	-43.1	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@@H+]1C[C@H]2CCCCN2C[C@H]1C
342596729	ZINC000590797563	ref	6.15	-10.34	0	269.308	1.486	1	5	3	Cc1nc(C(=O)N[C@@H](C)c2cccc(C#N)c2)n(C)n1
365638418	ZINC000336554995	high	5.71	-5.04	0	277.412	2.393	0	4	3	Cc1noc(C)c1CCN1C[C@H]2CCCCN2C[C@H]1C
365638424	ZINC000336554396	ref	7.77	-12.07	0	293.436	2.194	0	4	3	CSC[C@@H]1CCCN1C(=O)[C@@H]1CCCc2nn(C)cc21
365638428	ZINC000336554795	ref	9.07	-88.82	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1
365638432	ZINC000336554795	mid	9.12	-87.93	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1
365638436	ZINC000336554795	high	6.69	-38.42	1	266.429	2.077	1	2	3	CN1CCC([C@H]2CC[N@H+](C[C@H]3CCCOC3)C2)CC1
342596730	ZINC000616979750	ref	4.6	-9.5	0	263.341	1.458	1	3	6	CC[C@@H](C)N(CC)C(=O)CNC(=O)c1cccnc1
342596731	ZINC000590797579	ref	3.99	-9.95	0	298.412	1.264	2	5	7	CCO[C@@H]1C[C@H](NC(=O)NCCSC)[C@@H]1n1cccn1
214187424	ZINC000293607781	mid	2.24	-14.15	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1
365638441	ZINC000336554795	high	6.74	-37.5	1	266.429	2.077	1	2	3	CN1CCC([C@H]2CC[N@@H+](C[C@H]3CCCOC3)C2)CC1
349535256	ZINC000602430761	mid	6.41	-8.99	0	238.331	1.954	0	4	5	COC(=O)[C@@H]1CCCCN1C[C@@H](C)CCC#N
365638447	ZINC000336554794	ref	9.08	-87.88	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1
365638451	ZINC000336554794	mid	9.11	-88.91	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1
365638454	ZINC000336554794	high	6.69	-37.57	1	266.429	2.077	1	2	3	CN1CCC([C@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1
219048105	ZINC000097681645	ref	8.79	-12.08	0	336.779	3.054	0	5	6	C[C@@H](c1ccccc1Cl)N(C)C(=O)CCn1cc([N+](=O)[O-])cn1
219048108	ZINC000097680733	ref	9.28	-8.71	0	328.161	4.337	0	1	5	CN(CCC(F)(F)F)C(=O)CCc1ccc(Cl)cc1Cl
342596732	ZINC000590797409	ref	4.15	-10.09	0	256.375	1.626	2	4	6	CCn1ccnc1[C@H](C)NC(=O)NCCSC
214187425	ZINC000337629170	ref	2.04	-17.7	0	286.372	0.293	2	4	7	CC(=O)NC1(C(=O)N(C)CCOCCO)CCCCC1
219048112	ZINC000097682472	ref	4.29	-16.9	0	327.3	2.475	1	7	6	O=C(CCn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2cnco2)cc1
219048123	ZINC000097682484	ref	4.83	-20.33	0	332.404	1.092	2	4	4	CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](C(=O)Nc2cccc(C)n2)C1
219048125	ZINC000097681231	ref	4.59	-17.63	0	348.424	2.384	1	5	3	Cc1cc(C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)c(C)o1
219048128	ZINC000097682166	ref	5.86	-21.77	0	329.425	3.114	2	4	5	CCNC(=O)c1ccc(C)c(NC(=O)c2ccnc(SC)c2)c1
219048131	ZINC000097681675	ref	3.66	-13.32	0	341.411	1.268	2	4	3	O=C(c1ccc[nH]1)N1CCN(Cc2ccc3c(c2)CCO3)C[C@H](O)C1
219048134	ZINC000097681675	mid	6.11	-54.79	1	341.411	1.268	3	3	3	O=C(c1ccc[nH]1)N1CC[N@H+](Cc2ccc3c(c2)CCO3)C[C@H](O)C1
219048136	ZINC000097681675	mid	6.57	-49.42	1	341.411	1.268	3	3	3	O=C(c1ccc[nH]1)N1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H](O)C1
219048138	ZINC000097682312	ref	5.49	-10.19	0	347.415	2.675	1	4	3	C[C@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(-c2ccc(F)cc2)n1
342596733	ZINC000590797409	low	4.51	-36.05	1	256.375	1.626	2	3	6	CCn1cc[nH+]c1[C@H](C)NC(=O)NCCSC
365638384	ZINC000617441663	ref	4.33	-17.18	0	287.327	0.533	2	7	2	Cc1nc(N)nc(C)c1C(=O)N[C@@H]1C[C@H](C)n2ncnc21
219048140	ZINC000097680246	ref	4.67	-17.08	0	327.833	2.268	1	3	3	O=C(C[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCc2c(Cl)cccc21
219048143	ZINC000097679970	ref	6.08	-12.85	0	325.771	3.102	1	4	5	CCOc1ccc([C@@H](C)NC(=O)c2nn(C)cc2Cl)cc1F
219048147	ZINC000097681000	ref	6.49	-43.57	1	328.507	2.113	2	5	6	C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)NC(=O)CSc2nncs2)C1
219048150	ZINC000097681000	mid	6.61	-43.9	1	328.507	2.113	2	5	6	C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)NC(=O)CSc2nncs2)C1
365638391	ZINC000617439808	ref	3.15	-19.05	0	279.344	0.121	1	6	3	CCN1CCO[C@H](C(=O)N[C@@H]2C[C@H](C)n3ncnc32)C1
214187430	ZINC000337632130	ref	3.62	-50.41	1	284.404	0.672	4	2	7	CCCC[C@H](NC(N)=O)C(=O)NCC1CC[NH+](C)CC1
349535258	ZINC000594968882	ref	5.84	-44.55	1	275.483	2.55	1	2	3	C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CS1
342080352	ZINC000625322897	high	2.59	-13.06	0	293.411	1.058	2	3	5	C=C(C)CN1CCC(NC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1
230732525	ZINC000450416986	ref	0.27	-10.84	0	305.378	1.016	3	4	6	Cc1cc(C(=O)NCC2([C@@H](O)C(C)C)CC2)ncc1C(N)=O
365638387	ZINC000623070871	ref	4.61	-63.7	1	312.377	1.75	2	4	2	O=C(Nc1cccnc1)N1CCC(n2ncc3c2C[NH2+]C3)CC1
190493991	ZINC000269433557	ref	5.83	-11.36	0	293.432	3.22	2	3	4	CC(C)Sc1ccccc1C(=O)N[C@@H]1CCCC[C@@H]1O
365638393	ZINC000623070871	mid	3.11	-17.46	0	312.377	1.75	2	5	2	O=C(Nc1cccnc1)N1CCC(n2ncc3c2CNC3)CC1
365638400	ZINC000623070179	ref	4.49	-51.77	1	303.362	1.484	2	3	2	CC(=O)c1ccc(NC(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cc1
190493992	ZINC000269432076	ref	6.93	-9.49	0	263.272	2.609	0	4	3	CC(C)c1cc(C(=O)N(C)c2ncccc2F)on1
349535259	ZINC000602431230	ref	7.31	-33.55	1	243.347	1.686	1	3	5	CC[C@@](C)(C[N@@H+]1CCC[C@H](C(=O)OC)C1)OC
197594487	ZINC000162832863	ref	6.84	-14.08	0	307.781	2.871	2	4	5	CC(C)[C@@H](O)CC(=O)Nc1ccn(-c2ccccc2Cl)n1
365638407	ZINC000623070179	mid	3.13	-16.08	0	303.362	1.484	2	4	2	CC(=O)c1ccc(NC(=O)N2CC[C@H]3OCCN[C@H]3C2)cc1
197594488	ZINC000162832325	ref	5.56	-8.73	0	309.431	2.539	1	3	4	Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1C
349535262	ZINC000602431230	mid	7.25	-29.55	1	243.347	1.686	1	3	5	CC[C@@](C)(C[N@H+]1CCC[C@H](C(=O)OC)C1)OC
365638416	ZINC000623070276	ref	2.28	-58.18	1	307.383	1.062	2	6	3	[NH3+]Cc1cn([C@@H]2CCCN(C(=O)Nc3nccs3)C2)nn1
197594493	ZINC000162829608	ref	9.13	-50.37	-1	306.391	2.216	0	7	7	CC(C)n1c(CCc2cccnc2)nnc1SCC(=O)[O-]
365638422	ZINC000623070276	high	1.88	-21.92	0	307.383	1.062	2	7	3	NCc1cn([C@@H]2CCCN(C(=O)Nc3nccs3)C2)nn1
365638429	ZINC000623070427	ref	6.01	-45.07	1	308.401	1.913	3	2	3	C[NH+](C)Cc1cccc(NC(=O)N2CCNC[C@](C)(F)C2)c1
365638438	ZINC000623070427	mid	7.31	-99.75	2	308.401	1.913	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2CC[NH2+]C[C@](C)(F)C2)c1
365638445	ZINC000623070427	high	3.54	-11.18	0	308.401	1.913	2	3	3	CN(C)Cc1cccc(NC(=O)N2CCNC[C@](C)(F)C2)c1
365638455	ZINC000623070727	ref	2.57	-46.57	1	321.377	1.298	2	4	3	COc1cc(NC(=O)N2CC[C@@H]3OCC[NH2+][C@@H]3C2)cc(OC)c1
365638463	ZINC000623070727	mid	1.26	-11.46	0	321.377	1.298	2	5	3	COc1cc(NC(=O)N2CC[C@@H]3OCCN[C@@H]3C2)cc(OC)c1
342080353	ZINC000625323152	ref	2.18	-41.84	1	281.4	1.781	3	4	7	CC(C)n1cc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)cn1
210256926	ZINC000004714080	ref	8.15	-10.07	0	345.713	3.552	0	5	2	O=C1OC(c2ccccc2F)=N/C1=C\c1cc2c(cc1Cl)OCO2
210256929	ZINC000004713965	ref	9.48	-56.4	-1	327.38	3.276	1	4	7	COc1ccc(NC(=O)[C@H](CC(=O)[O-])Cc2ccc(C)cc2)cc1
342596734	ZINC000590797372	ref	4.37	-12.0	0	258.387	1.562	1	3	3	CSCCNC(=O)N1CCC[C@@]2(CCOC2)C1
210256935	ZINC000004712128	ref	5.91	-11.95	0	330.494	2.133	1	3	5	CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCC[C@@H]2C)C1
214187426	ZINC000293604226	ref	2.56	-14.77	0	370.413	0.524	3	8	7	Cc1c(C(=O)N[C@@H](CO)C[C@H](O)c2ccccc2)nnn1-c1ccn(C)n1
210256937	ZINC000004712185	ref	6.32	-15.72	0	346.537	2.771	1	3	10	CCCC[C@H](CC)CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCC)C1
210256940	ZINC000004713051	ref	8.98	-13.39	0	339.263	3.175	0	7	4	O=c1oc(/C=C/c2ccc([N+](=O)[O-])cc2)nc2cc([N+](=O)[O-])ccc12
214187428	ZINC000293613791	ref	0.47	-24.03	0	357.432	0.643	2	5	8	CCCNS(=O)(=O)N[C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O
210256947	ZINC000004713378	ref	9.84	-3.93	0	340.264	5.584	1	1	1	Cc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2
210256954	ZINC000004711399	ref	9.07	-48.84	1	343.471	1.598	2	2	7	Cc1ccc(CCN2C[C@H](C(=O)NCC[NH+]3CCCC3)CC2=O)cc1
210256958	ZINC000004711399	high	6.64	-12.9	0	343.471	1.598	1	3	7	Cc1ccc(CCN2C[C@H](C(=O)NCCN3CCCC3)CC2=O)cc1
210256964	ZINC000004712917	ref	9.46	-8.43	0	329.183	4.125	1	3	4	CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-]
210256968	ZINC000004710427	ref	8.77	-14.32	0	335.338	3.725	2	3	4	O=C(Nc1ccccc1C(=O)Nc1ccccn1)c1ccc(F)cc1
214187431	ZINC000293607006	ref	5.11	-45.19	1	360.458	0.17	3	3	8	C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(N)=O
342596735	ZINC000590797580	ref	3.56	-15.28	0	298.412	1.264	2	5	7	CCO[C@@H]1C[C@@H](NC(=O)NCCSC)[C@@H]1n1cccn1
342596736	ZINC000590797475	ref	6.06	-19.19	0	282.413	1.876	1	4	4	CSCCNC(=O)N1CC(C)(C)[C@H]1c1nccn1C
342596737	ZINC000590797475	low	6.34	-29.97	1	282.413	1.876	1	3	4	CSCCNC(=O)N1CC(C)(C)[C@H]1c1[nH+]ccn1C
210256906	ZINC000019525977	ref	8.71	-15.37	0	389.459	4.376	1	6	7	CCCn1c(C)cc2cc(NC(=O)CCc3nc(-c4ccncc4)no3)ccc21
210256210	ZINC000428348248	ref	2.73	-17.6	0	328.438	0.902	3	4	6	CCS[C@H]1CCCC[C@@H]1NC(=O)NCCN1C(=O)CNC1=O
342596738	ZINC000590797293	ref	1.74	-12.63	0	255.343	1.252	2	4	6	COc1cccnc1CNC(=O)NCCSC
342080354	ZINC000625323152	high	0.91	-7.77	0	281.4	1.781	3	5	7	CC(C)n1cc([C@H](C)NC[C@@H](O)CC2(O)CCC2)cn1
365638394	ZINC000641605198	ref	3.66	-11.85	0	287.367	1.262	2	6	5	Cn1nccc1-c1ccc(N[C@@H](CO)C2CCCC2)nn1
342080355	ZINC000625311437	ref	4.79	-5.36	0	264.291	1.881	1	1	2	C[C@H](CC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(F)(F)F
342080356	ZINC000625311437	mid	6.57	-42.12	1	264.291	1.881	1	1	2	C[C@H](CC(=O)N1CC[N@H+]2CCC[C@H]2C1)C(F)(F)F
365638401	ZINC000641605535	ref	5.96	-11.93	0	258.329	1.56	1	6	5	CC(C)n1cc(CNc2cc(C3CC3)ncn2)nn1
342080357	ZINC000625311437	high	4.79	-5.36	0	264.291	1.881	0	2	2	C[C@H](CC(=O)N1CCN2CCC[C@H]2C1)C(F)(F)F
342080358	ZINC000625310813	ref	6.03	-38.98	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)C(C)C
214187429	ZINC000053525686	mid	9.61	-42.1	1	345.443	2.911	2	3	8	Cc1ccccc1OCCN(C)C(=O)NC[C@H](c1ccco1)[NH+](C)C
365638408	ZINC000641605427	ref	3.91	-46.14	1	284.372	1.291	2	2	7	C[C@H](CCNS(=O)(=O)C[C@]1(C)CC1(F)F)[NH+](C)C
342080359	ZINC000625310813	mid	6.78	-38.49	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)C(C)C
185089232	ZINC000096076190	mid	4.96	-42.77	1	278.4	0.964	1	4	2	Cn1ccc(CN2CCC[C@]3(COCC[N@@H+](C)C3)C2)n1
365638415	ZINC000641605932	ref	1.47	-9.7	0	261.387	1.257	2	3	6	C[C@H](NS(=O)(=O)CC1(C)CCC1)C1(CO)CC1
342080360	ZINC000625310813	high	3.17	-9.13	0	295.427	1.232	1	3	4	CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[C@@H]1CCCN1C)C(C)C
342080361	ZINC000625322979	ref	0.63	-8.67	0	263.301	1.879	1	7	5	Cc1noc([C@H](C)NCc2noc(C3CCC3)n2)n1
342080362	ZINC000625323523	ref	3.43	-36.71	1	253.317	1.975	2	2	5	C[C@@H]([NH2+]Cc1cc(CO)ccc1F)[C@@H]1CCCO1
342080363	ZINC000625323523	high	2.23	-6.2	0	253.317	1.975	2	3	5	C[C@@H](NCc1cc(CO)ccc1F)[C@@H]1CCCO1
342080364	ZINC000625322894	ref	2.54	-39.88	1	273.174	1.951	2	2	5	C[C@H](CO)[C@@H](C)[NH2+]Cc1ccncc1Br
282123093	ZINC000533472943	ref	3.28	-12.8	0	266.341	1.624	2	3	4	C[C@@H](O)[C@@H]1CCCN(C(=O)NCCc2ccco2)C1
342080365	ZINC000625322894	high	1.52	-5.71	0	273.174	1.951	2	3	5	C[C@H](CO)[C@@H](C)NCc1ccncc1Br
282123094	ZINC000533472557	ref	4.57	-14.27	0	282.384	1.008	1	3	3	C[C@@H](O)[C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
342080366	ZINC000625323153	ref	2.17	-42.05	1	281.4	1.781	3	4	7	CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)cn1
342080367	ZINC000625323153	high	0.97	-8.32	0	281.4	1.781	3	5	7	CC(C)n1cc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)cn1
365638423	ZINC000641602189	ref	3.53	-10.18	0	260.337	1.309	2	3	3	Cc1cccc(C)c1NCC(=O)N1C[C@H]2C[C@@]2(O)C1
214187432	ZINC000053523284	ref	7.47	-42.62	1	335.448	2.625	2	3	4	C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C[C@@H](C)O1
219048119	ZINC000286546985	mid	2.6	-21.85	0	318.289	1.969	1	7	3	Cc1noc([C@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1
219048121	ZINC000286546625	ref	1.13	-10.14	0	304.306	1.537	1	7	5	O=C(NCc1nc(-c2ccncc2)no1)OC[C@@H]1CCCO1
219048126	ZINC000286547533	ref	6.89	-10.28	0	306.406	2.146	0	4	2	CCn1c(C)cc(C(=O)N2CCO[C@]3(CCCOC3)C2)c1C
219048129	ZINC000286546302	ref	3.6	-10.81	0	300.399	1.758	1	3	7	CN(C)C[C@H](NS(=O)(=O)CC1CC1)c1ccc(F)cc1
342596739	ZINC000590797193	ref	1.74	-6.55	0	251.33	1.004	1	5	4	CCOc1ncnc2c1CN(CC(C)(C)O)CC2
342596740	ZINC000590797193	mid	3.51	-40.09	1	251.33	1.004	2	4	4	CCOc1ncnc2c1C[N@H+](CC(C)(C)O)CC2
219048130	ZINC000286546302	mid	5.83	-47.89	1	300.399	1.758	2	2	7	C[NH+](C)C[C@H](NS(=O)(=O)CC1CC1)c1ccc(F)cc1
219048135	ZINC000286548414	ref	5.42	-21.02	0	317.389	1.712	1	3	3	COc1ccccc1C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C(C)C
214187434	ZINC000053523284	mid	5.43	-9.15	0	335.448	2.625	1	4	4	C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)C[C@@H](C)O1
219048139	ZINC000286546014	ref	-0.55	-10.46	0	303.355	0.64	2	4	4	Cc1ccc(F)cc1S(=O)(=O)N1[C@@H](CO)CC[C@@H]1CO
219048142	ZINC000286547363	ref	6.61	-38.77	1	318.421	1.145	1	4	5	CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)/C=C/c2ccnn2C)C1
219048144	ZINC000286547363	high	6.48	-8.39	0	318.421	1.145	0	5	5	CO[C@H]1C[C@@H](CN2CCCC2)N(C(=O)/C=C/c2ccnn2C)C1
128585102	ZINC000336810556	ref	6.17	-5.46	0	263.385	2.73	1	4	4	CC(C)c1cc(N2CCCC[C@H]2C[C@H](C)O)ncn1
282123095	ZINC000533472181	ref	4.52	-9.71	0	262.353	1.634	1	3	4	C[C@@H](O)[C@H]1CCCN(C(=O)CCc2ccncc2)C1
185089233	ZINC000096076190	high	4.06	-7.16	0	278.4	0.964	0	5	2	CN1CCOC[C@]2(CCCN(Cc3ccn(C)n3)C2)C1
282123096	ZINC000533472182	ref	4.44	-10.13	0	262.353	1.634	1	3	4	C[C@@H](O)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1
282123097	ZINC000533473328	ref	3.09	-11.43	0	270.329	1.469	1	4	5	O=C(NCCOc1ncccc1F)[C@@H]1CCSC1
365638396	ZINC000617439808	mid	5.56	-57.9	1	279.344	0.121	2	5	3	CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H](C)n3ncnc32)C1
219048148	ZINC000286545890	ref	6.07	-9.09	0	324.446	3.181	1	5	4	CC[C@H]1OCCC[C@H]1C(=O)Nc1nc(C2CCOCC2)cs1
349535261	ZINC000594969301	ref	8.18	-51.8	1	268.364	2.8	1	3	5	CCn1nccc1C[NH2+]C(C)(C)c1cccc(C#N)c1
365638397	ZINC000175975106	ref	5.42	-9.03	0	225.332	2.204	0	2	3	CCC1(C(=O)N2CCC[C@H](OC)C2)CCC1
365638404	ZINC000576602006	ref	6.53	-12.6	0	245.326	2.7	2	2	2	Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)nc1
342596741	ZINC000590797193	mid	3.55	-37.8	1	251.33	1.004	2	4	4	CCOc1ncnc2c1C[N@@H+](CC(C)(C)O)CC2
342596742	ZINC000590797539	ref	5.06	-14.41	0	270.398	1.702	1	3	4	CSCCNC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1
342596743	ZINC000590797486	ref	2.56	-12.51	0	296.396	1.379	3	4	6	CSCCNC(=O)N[C@@H](C)C(=O)Nc1cccnc1C
365638411	ZINC000576599873	ref	8.27	-37.54	1	231.339	2.988	1	1	5	c1ccc(OCC[NH2+][C@H]2CCCC23CC3)cc1
365638420	ZINC000576599879	ref	8.26	-37.05	1	231.339	2.988	1	1	5	c1ccc(OCC[NH2+][C@@H]2CCCC23CC3)cc1
342596744	ZINC000590797384	ref	4.13	-10.79	0	272.414	1.998	2	3	5	CSCCNC(=O)NC[C@H]1CCOC2(CCC2)C1
342596745	ZINC000590797397	ref	5.27	-10.47	0	260.403	1.806	1	3	5	CCO[C@@H]1CCN(C(=O)NCCSC)C[C@H]1C
342596746	ZINC000590798019	ref	4.75	-19.66	0	256.309	1.666	1	3	1	CN1CCc2ccc(NC(=O)N3CC(C#N)C3)cc21
365638426	ZINC000576601961	ref	9.82	-37.94	1	249.402	3.234	1	2	9	C=CCCCC[N@H+](Cc1cnn(C)c1)CC(C)C
365638430	ZINC000576601961	mid	9.8	-38.51	1	249.402	3.234	1	2	9	C=CCCCC[N@@H+](Cc1cnn(C)c1)CC(C)C
342596747	ZINC000590797423	ref	2.54	-12.19	0	286.372	1.391	3	3	7	CSCCNC(=O)NC[C@@H](O)Cc1cccc(F)c1
365638437	ZINC000576605201	ref	8.68	-15.69	0	236.336	2.511	0	3	7	CC(=O)CSCC(=O)CCc1ccccc1
342596748	ZINC000590797227	ref	5.72	-40.71	1	271.43	1.665	3	2	5	CSCCNC(=O)NC1CC[NH+](C2CCC2)CC1
197594512	ZINC000290099969	ref	0.97	-11.66	0	269.301	1.081	2	5	4	CCc1onc(C)c1NC(=O)N[C@H]1COC[C@@H]1OC
342596749	ZINC000616979581	ref	4.18	-10.99	0	292.379	1.698	2	3	7	CC[C@@H](C)N(CC)C(=O)CNC(=O)Cc1ccc(O)cc1
365638443	ZINC000576600106	ref	5.51	-7.87	0	224.348	2.664	2	1	6	CC(C)C1(NC(=O)NCCCC2CC2)CC1
342596750	ZINC000590797191	ref	5.33	-37.7	1	260.381	1.826	2	2	3	CC(C)(O)C[N@@H+]1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1
342596751	ZINC000590797191	mid	5.31	-37.73	1	260.381	1.826	2	2	3	CC(C)(O)C[N@H+]1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1
342596752	ZINC000590797246	ref	5.37	-7.67	0	272.414	1.95	1	3	5	CSCCNC(=O)N1CCOC[C@H]1CC1CCC1
365638453	ZINC000576600359	ref	3.54	-48.78	1	248.33	1.062	3	2	5	O=C(NCC[NH2+][C@H]1CCCC12CC2)c1ccn[nH]1
365638461	ZINC000576600200	ref	5.88	-39.87	1	225.361	2.012	2	2	5	CSC1(C[NH2+]Cc2nc(C)c(C)[nH]2)CC1
365638467	ZINC000576600200	high	4.34	-5.84	0	225.361	2.012	2	3	5	CSC1(CNCc2nc(C)c(C)[nH]2)CC1
178303744	ZINC000237234427	ref	1.89	-50.96	1	366.361	1.927	2	4	4	COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)C1CC[NH2+]CC1
365638399	ZINC000617439808	mid	5.4	-53.98	1	279.344	0.121	2	5	3	CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[C@H](C)n3ncnc32)C1
398245675	ZINC000649443924	ref	5.33	-10.89	0	243.31	2.064	1	3	2	CNC(=O)c1cc(-c2cnn(C)c2C)ccc1C
398245679	ZINC000649443878	ref	9.81	-40.86	1	240.35	3.161	1	1	4	Cc1ccnc(-c2ccc(CC[NH+](C)C)cc2)c1
365638406	ZINC000617440067	ref	4.25	-22.9	0	293.356	0.619	2	7	4	Cc1nc(SCC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)n[nH]1
398245683	ZINC000649443851	ref	7.51	-45.14	1	241.256	3.391	1	0	1	Cc1cc(C2=CC[NH2+]CC2)ccc1C(F)(F)F
346818822	ZINC000611564942	mid	6.91	-8.86	0	273.296	1.29	0	6	2	CN1CCN(c2ncnc3cccc([N+](=O)[O-])c23)CC1
178303748	ZINC000237240949	ref	4.69	-52.49	1	362.451	1.835	2	4	9	COCC[NH2+]CC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1
365638414	ZINC000617440067	mid	4.66	-21.21	0	293.356	0.619	2	7	4	Cc1nnc(SCC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)[nH]1
230732570	ZINC000414311878	ref	5.77	-12.26	0	310.279	3.285	1	5	5	CCn1nccc1CNc1cccc(OC(F)(F)F)c1C#N
365638419	ZINC000617440067	mid	4.34	-19.36	0	293.356	0.619	2	7	4	Cc1n[nH]c(SCC(=O)N[C@@H]2C[C@@H](C)n3ncnc32)n1
178303753	ZINC000237240949	mid	3.35	-16.6	0	362.451	1.835	2	5	9	COCCNCC(=O)Nc1ccccc1CS(=O)(=O)c1ccccc1
178303756	ZINC000237229504	ref	4.21	-55.83	1	352.482	1.791	2	3	6	CN1CCN([C@@H](C(=O)NC[C@H]([NH3+])c2ccccc2)c2ccccc2)CC1
178303757	ZINC000237229504	mid	6.58	-102.0	2	352.482	1.791	3	2	6	C[NH+]1CCN([C@@H](C(=O)NC[C@H]([NH3+])c2ccccc2)c2ccccc2)CC1
230744921	ZINC000414375481	ref	8.43	-8.52	0	307.397	3.458	0	4	3	Cc1occc1CN1CCN(c2ccc3ccccc3n2)CC1
178303759	ZINC000237229504	high	3.86	-9.35	0	352.482	1.791	2	4	6	CN1CCN([C@@H](C(=O)NC[C@H](N)c2ccccc2)c2ccccc2)CC1
230744924	ZINC000414375481	mid	10.78	-43.55	1	307.397	3.458	1	3	3	Cc1occc1C[NH+]1CCN(c2ccc3ccccc3n2)CC1
346818827	ZINC000611565998	ref	5.92	-12.24	0	285.25	1.874	1	4	5	O=C(CCNc1ccccc1[N+](=O)[O-])N1CC(F)(F)C1
346818833	ZINC000611564497	ref	5.94	-11.03	0	296.367	1.174	1	4	6	C=CCOCCNC(=O)N1CCC2(CC1)C[C@H]2C(=O)OC
346818836	ZINC000611565272	ref	5.09	-13.37	0	273.296	1.103	2	5	4	CC(C)C[C@@H](C#N)NC(=O)c1cccn2c(=O)[nH]nc12
178303764	ZINC000237236710	ref	3.9	-55.36	1	370.515	1.985	2	4	9	COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1
178303768	ZINC000237236710	high	4.27	-11.03	0	370.515	1.985	2	5	9	COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N[C@](C)(CN)CC(C)C)cc1
214187433	ZINC000293607006	high	2.66	-15.18	0	360.458	0.17	2	4	8	C[C@H](c1ccccc1)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(N)=O
219048124	ZINC000350695519	ref	6.7	-9.42	0	294.362	2.363	1	6	3	Cc1cc(Nc2c(C)nn(C)c2C)nc(-c2ccncc2)n1
343994079	ZINC000139352508	ref	6.91	-4.33	0	164.154	3.118	0	0	0	Fc1ccc2ccc(F)cc2c1
346818824	ZINC000589952030	ref	5.7	-11.73	0	268.316	3.012	1	3	4	C[C@@H]1C[C@@H]1NC(=O)c1ccnc(Oc2ccccc2)c1
343994082	ZINC000139305805	low	4.26	-102.44	2	191.234	1.485	1	2	3	Cc1[nH+]ccn1C[C@@H]([NH3+])c1ccco1
306234456	ZINC000557853270	ref	3.71	-12.76	0	348.447	1.61	2	5	4	Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
219048141	ZINC000350683019	ref	10.12	-16.18	0	295.295	2.088	0	7	4	CCOC(=O)c1ccnc(N2CCCCCO2)c1[N+](=O)[O-]
219048145	ZINC000350683593	ref	6.98	-38.51	1	293.436	2.209	2	3	6	O=C(CCc1cncs1)NC[C@H]1CCCC[N@@H+]1C1CC1
219048146	ZINC000350683593	mid	6.5	-38.4	1	293.436	2.209	2	3	6	O=C(CCc1cncs1)NC[C@H]1CCCC[N@H+]1C1CC1
185089235	ZINC000096078528	ref	5.02	-41.8	1	294.395	1.449	1	4	4	C[NH+](C)C[C@H]1CO[C@]2(COCCN(Cc3ccoc3)C2)C1
219048149	ZINC000350683593	high	4.9	-6.67	0	293.436	2.209	1	4	6	O=C(CCc1cncs1)NC[C@H]1CCCCN1C1CC1
214187436	ZINC000293611092	ref	4.3	-17.03	0	363.443	0.682	0	6	4	Cc1cccc(-n2cc(C(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)nn2)c1
219048153	ZINC000350686210	ref	7.33	-47.94	1	298.427	2.099	1	3	8	CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)N1CCC[C@@H]1C
219048156	ZINC000350682333	ref	5.18	-9.59	0	298.346	2.285	1	5	5	Cc1noc(CNC(=O)[C@@H](C)Cn2ccc3ccccc32)n1
219048159	ZINC000350695921	ref	7.21	-10.0	0	284.363	3.101	2	3	3	Cc1ccnn1-c1ccccc1NC(=O)N[C@@H]1CC[C@@H]1C
214187440	ZINC000293602941	ref	3.24	-23.37	0	366.447	0.395	1	8	4	Cc1c(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)nnn1-c1ccn(C)n1
214187443	ZINC000293609600	ref	2.75	-16.36	0	352.431	0.467	2	6	7	COCC1(CNC(=O)[C@](C)(O)Cn2c(C)cccc2=O)CCOCC1
219048162	ZINC000350686850	ref	2.67	-13.95	0	298.342	2.371	3	3	5	Cc1ccc(O)c(NC(=O)CCc2ccccc2C(N)=O)c1
346818829	ZINC000589954977	ref	6.65	-7.13	0	272.373	3.257	1	3	3	Cc1ccc(-c2nc(C(=O)N[C@@H]3C[C@H]3C)cs2)cc1
365638425	ZINC000617441709	ref	4.37	-16.32	0	264.329	0.951	2	5	4	C[C@@H]1C[C@@H](NC(=O)C[C@@](C)(O)C2CC2)c2ncnn21
365638431	ZINC000617441662	ref	4.33	-17.48	0	287.327	0.533	2	7	2	Cc1nc(N)nc(C)c1C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
197594499	ZINC000162832059	ref	5.46	-9.19	0	309.431	2.539	1	3	4	Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1
365638439	ZINC000617442069	ref	1.18	-18.55	0	286.295	0.208	2	6	3	C[C@H]1C[C@H](NC(=O)c2cccc(C(N)=O)n2)c2ncnn21
197594502	ZINC000162834101	ref	6.76	-19.43	0	319.401	1.818	1	4	7	CC(=O)CCc1ccc(OCC(=O)N2CCC[C@H](CO)C2)cc1
365638444	ZINC000617442053	ref	2.2	-16.34	0	279.344	0.121	1	6	3	CCN1CCOC[C@@H]1C(=O)N[C@H]1C[C@@H](C)n2ncnc21
185089237	ZINC000096078528	mid	7.51	-92.9	2	294.395	1.449	2	3	4	C[NH+](C)C[C@H]1CO[C@]2(COCC[N@H+](Cc3ccoc3)C2)C1
342596753	ZINC000590797507	ref	3.73	-10.73	0	257.359	1.708	2	4	6	CCc1noc(C)c1CNC(=O)NCCSC
365638449	ZINC000617441464	ref	4.6	-15.29	0	262.313	0.825	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H]3CCCO[C@H]32)c2ncnn21
365638456	ZINC000617439811	ref	3.15	-18.77	0	279.344	0.121	1	6	3	CCN1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)n3ncnc32)C1
342596754	ZINC000616979560	ref	5.44	-42.23	1	253.39	1.023	1	2	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1C[N@H+]2CCCN1CC2
365638460	ZINC000617439811	mid	5.57	-53.8	1	279.344	0.121	2	5	3	CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)n3ncnc32)C1
342596755	ZINC000616979560	mid	5.61	-44.52	1	253.39	1.023	1	2	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1C[N@@H+]2CCCN1CC2
230732580	ZINC000425470074	ref	4.5	-8.97	0	311.407	2.48	2	5	5	COC(=O)c1cnc([C@H](C)NC(=O)NCC2(C)CCC2)s1
365638464	ZINC000617439811	mid	5.4	-43.52	1	279.344	0.121	2	5	3	CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@@H](C)n3ncnc32)C1
342596756	ZINC000616979560	high	3.55	-7.02	0	253.39	1.023	0	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CN2CCCN1CC2
342596757	ZINC000616979556	ref	0.63	-13.57	0	274.342	1.188	1	4	5	CC[C@H](C)N(CC)C(=O)c1coc(S(N)(=O)=O)c1
197594515	ZINC000162826486	ref	5.76	-14.15	0	316.401	3.164	2	3	4	CCOc1cccc(NC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1
365638469	ZINC000617439911	ref	5.51	-43.13	1	251.334	0.74	2	4	4	CC[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)[NH+](C)C
342596758	ZINC000590797204	ref	3.26	-10.65	0	271.32	1.957	2	4	2	Cc1ccc2[nH]c3c(=O)n(CC(C)(C)O)ncc3c2c1
342596759	ZINC000590797241	ref	4.0	-9.66	0	260.403	1.855	2	3	8	CSCCNC(=O)NCCOCC1CCCC1
365638473	ZINC000617439911	high	3.76	-16.95	0	251.334	0.74	1	5	4	CC[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)N(C)C
361823550	ZINC000614361658	mid	5.46	-17.62	0	315.417	1.592	0	3	4	CN(C(=O)[C@H]1CCN(C(=O)C2(N(C)C)CC2)C1)c1ccccc1
342080368	ZINC000625323177	ref	7.23	-41.17	1	299.378	1.5	2	4	4	C=C(C)C[NH+]1CCC(NC(=O)c2ccnc3ccnn23)CC1
199273112	ZINC000294963074	ref	2.69	-45.97	1	264.703	2.229	2	2	6	CC[C@@H]([NH2+]Cc1cccnc1Cl)[C@@H](O)C(F)F
230732594	ZINC000450419394	ref	4.54	-14.66	0	323.303	1.469	1	6	6	CN(C)c1nccc(CNC(=O)c2ccnc(OC(F)F)c2)n1
342080369	ZINC000625323177	high	4.81	-8.74	0	299.378	1.5	1	5	4	C=C(C)CN1CCC(NC(=O)c2ccnc3ccnn23)CC1
342080370	ZINC000625322862	ref	0.85	-12.58	0	253.346	1.796	2	4	5	Cc1cnc([C@H](C)NCC(=O)NCC(C)(C)C)o1
349535264	ZINC000594969301	mid	7.06	-8.43	0	268.364	2.8	1	4	5	CCn1nccc1CNC(C)(C)c1cccc(C#N)c1
361823556	ZINC000614361557	ref	3.36	-9.45	0	323.393	1.286	0	6	3	COCn1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCO[C@H](C)C3)C2)n1
361823564	ZINC000614361559	ref	3.66	-9.75	0	323.393	1.286	0	6	3	COCn1ccc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)n1
361823570	ZINC000614361406	ref	6.43	-15.89	0	302.378	1.327	3	4	7	Cc1ccc([C@H](C)[C@@H](O)C(=O)NCCCc2nnc[nH]2)cc1
361823576	ZINC000614361406	mid	6.04	-13.66	0	302.378	1.327	3	4	7	Cc1ccc([C@H](C)[C@@H](O)C(=O)NCCCc2nc[nH]n2)cc1
361823581	ZINC000614361365	ref	6.79	-16.89	0	313.405	1.695	2	4	7	C[C@H](CC(=O)NCCCc1nnc[nH]1)N1CCc2ccccc21
361823587	ZINC000614361365	mid	6.4	-14.51	0	313.405	1.695	2	4	7	C[C@H](CC(=O)NCCCc1nc[nH]n1)N1CCc2ccccc21
361823593	ZINC000614361241	ref	5.16	-16.41	0	307.313	1.798	2	6	3	C[C@H](NC(=O)c1cc(O)cc(C#N)c1)c1nnc2ccccn12
361823597	ZINC000614361241	mid	5.92	-46.64	-1	307.313	1.798	1	6	3	C[C@H](NC(=O)c1cc([O-])cc(C#N)c1)c1nnc2ccccn12
361823602	ZINC000614363137	ref	4.53	-15.16	0	300.149	1.869	2	4	5	O=C(NCCCc1nnc[nH]1)c1c(Cl)cncc1Cl
361823606	ZINC000614363137	mid	4.14	-12.4	0	300.149	1.869	2	4	5	O=C(NCCCc1nc[nH]n1)c1c(Cl)cncc1Cl
361823610	ZINC000614363516	ref	2.84	-18.89	0	309.391	1.227	0	5	2	CC1=C[C@@H](C)CN(C(=O)c2nc(S(C)(=O)=O)ncc2C)C1
361823614	ZINC000614361488	ref	8.0	-49.78	1	301.394	1.546	3	3	8	C[NH+](C)[C@H](CC(=O)NCCCc1nnc[nH]1)c1ccccc1
361823618	ZINC000614361488	mid	7.61	-47.17	1	301.394	1.546	3	3	8	C[NH+](C)[C@H](CC(=O)NCCCc1nc[nH]n1)c1ccccc1
361823846	ZINC000629302638	ref	5.08	-51.21	-1	291.413	1.984	1	4	7	CC(C)C1(S(=O)(=O)NC(C)(C)C[C@H](C)C(=O)[O-])CC1
190493999	ZINC000269434456	ref	6.73	-14.25	0	299.37	3.265	2	3	5	Cc1cccc([C@@H](C)NC(=O)COc2ccccc2O)c1C
214187435	ZINC000337631333	ref	2.43	-18.64	0	275.234	0.462	2	5	3	Cn1cc2c(=NCC[C@H](O)C(F)(F)F)ncnc-2[nH]1
214187438	ZINC000337629934	ref	0.1	-14.4	0	276.333	-0.558	2	5	8	CCN(CCOCCO)C(=O)NC[C@H]1COCCO1
282123098	ZINC000533472426	ref	3.89	-9.51	0	275.348	1.95	1	3	2	C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1
210256911	ZINC000019523590	ref	9.58	-12.32	0	385.508	3.756	1	5	7	CCc1nccn1C[C@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C
178303771	ZINC000237226958	ref	5.3	-51.43	1	360.376	1.903	2	3	6	CN(C[C@@H](O)COc1ccccc1C(F)(F)F)C(=O)C1CC[NH2+]CC1
210256916	ZINC000019523590	mid	10.24	-36.88	1	385.508	3.756	1	4	7	CCc1[nH+]ccn1C[C@H](C)C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C
210256921	ZINC000019523826	ref	11.95	-47.02	1	398.555	2.973	2	5	5	CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C
210256934	ZINC000019523826	mid	12.4	-48.13	1	398.555	2.973	2	5	5	CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C
349535265	ZINC000602430169	ref	6.0	-48.41	1	247.342	1.138	1	2	3	C[NH2+]C[C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1
210256936	ZINC000019523826	high	11.13	-58.85	0	398.555	2.973	1	5	5	CCn1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C
349535268	ZINC000258905421	ref	7.82	-131.02	2	246.398	2.822	2	0	5	CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1
210256938	ZINC000019523826	high	11.55	-60.84	0	398.555	2.973	1	5	5	CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C
210256939	ZINC000019523826	high	9.35	-51.3	-1	398.555	2.973	0	6	5	CCn1nc(C)c(CN2CCC[C@@H](c3cc(=O)[n-]c(N4CCCCC4)n3)C2)c1C
214187444	ZINC000337631381	ref	6.98	-11.11	0	286.379	3.278	1	4	4	C[C@@H](CC(=O)Nc1cnccc1-n1cccn1)C(C)(C)C
210256942	ZINC000019523408	ref	7.58	-13.04	0	390.413	3.746	0	6	4	CCc1ncc(CN2CCC[C@H]2c2cc3nc(C)cc(C(F)(F)F)n3n2)cn1
210256949	ZINC000019523751	ref	8.17	-15.09	0	385.468	3.503	1	7	6	CCn1nc(C)c([C@@H](C)NC(=O)c2noc(C)c2Cc2c(C)noc2C)c1C
178303774	ZINC000237231894	ref	6.13	-54.56	1	359.47	1.57	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)C3([NH3+])CCCC3)CC2)cc1
214187447	ZINC000337631381	mid	7.44	-35.62	1	286.379	3.278	1	3	4	C[C@@H](CC(=O)Nc1c[nH+]ccc1-n1cccn1)C(C)(C)C
178303776	ZINC000237231894	high	6.37	-11.99	0	359.47	1.57	1	4	5	COc1ccc(CCC(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)cc1
365638427	ZINC000641602064	ref	2.77	-13.12	0	297.367	1.765	1	3	4	CC1(C)C[C@H](NS(=O)(=O)C[C@H]2C(C)(C)C2(F)F)CO1
178303778	ZINC000237236097	ref	4.25	-55.82	1	370.515	1.937	1	4	9	COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1
230732588	ZINC000425476397	ref	5.15	-8.62	0	314.426	2.221	2	4	5	C[C@H]1OCC[C@H]1NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C
365638433	ZINC000641602175	ref	2.13	-13.82	0	288.278	1.286	2	3	1	O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1C[C@@H]2C[C@]2(O)C1
178303782	ZINC000237233554	ref	6.28	-53.64	1	359.47	1.426	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1
365638442	ZINC000641602220	ref	5.83	-11.12	0	281.396	1.954	1	3	4	CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N1C[C@H]2C[C@@]2(O)C1
365638448	ZINC000641605775	ref	3.16	-37.74	1	289.177	1.032	2	4	5	COc1ncc(Br)c(N[C@@H](C)C[NH+](C)C)n1
342596760	ZINC000616979582	ref	4.3	-10.93	0	292.379	1.698	2	3	7	CC[C@H](C)N(CC)C(=O)CNC(=O)Cc1ccc(O)cc1
178303785	ZINC000237234693	ref	5.68	-49.59	1	373.457	1.425	1	6	7	COCCOc1ccc(-n2nc(C)c(C(=O)N(C)C3CC[NH2+]CC3)n2)cc1
178303787	ZINC000237225021	ref	6.01	-43.44	1	374.304	1.793	1	3	5	C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1
230732597	ZINC000425476391	ref	4.78	-9.56	0	314.426	2.221	2	4	5	C[C@H]1OCC[C@@H]1NC(=O)NCCC(C)(C)C(=O)OC(C)(C)C
178303791	ZINC000237229946	ref	9.33	-51.0	1	357.454	1.765	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)C1
365638452	ZINC000641605775	high	0.63	-4.91	0	289.177	1.032	1	5	5	COc1ncc(Br)c(N[C@@H](C)CN(C)C)n1
178303796	ZINC000237242696	ref	7.33	-51.57	1	359.47	1.502	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)C1
398245677	ZINC000651439013	ref	7.12	-12.63	0	293.794	3.009	0	2	3	CO[C@H]1CCN(C(=O)C2(c3ccccc3Cl)CCC2)C1
219048717	ZINC000286548719	high	0.65	-10.62	0	314.813	1.586	2	4	9	C[C@H](OC[C@H](O)CN(C)CCC(N)=O)c1ccc(Cl)cc1
178303806	ZINC000237233240	ref	6.6	-52.59	1	359.47	1.298	1	3	5	COc1ccc(CCC(=O)N2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1
178303810	ZINC000237229028	ref	6.45	-46.76	-1	359.47	1.735	1	5	5	CN1CCN([C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2)CC1
259308425	ZINC000322978612	ref	7.28	-37.28	1	233.355	3.105	1	1	7	CC[C@](C)(C[NH2+]C/C=C\c1ccccc1)OC
365639341	ZINC000354712816	ref	-1.25	-10.47	0	284.36	1.347	3	5	7	CC[C@H](C[C@@H](C)CO)NC(=O)Nc1cn(C)nc1OC
342080371	ZINC000625322862	low	2.12	-43.34	1	253.346	1.796	2	3	5	Cc1cnc([C@H](C)[NH2+]CC(=O)NCC(C)(C)C)o1
214187437	ZINC000053547441	ref	9.17	-18.88	0	339.439	3.784	1	4	5	O=C(CC[C@H]1CCCO1)Nc1cccc(-c2cn3c(n2)CCCC3)c1
185089239	ZINC000096078528	mid	8.14	-93.14	2	294.395	1.449	2	3	4	C[NH+](C)C[C@H]1CO[C@]2(COCC[N@@H+](Cc3ccoc3)C2)C1
214187439	ZINC000053547441	low	9.58	-34.94	1	339.439	3.784	1	3	5	O=C(CC[C@H]1CCCO1)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1
210256951	ZINC000019522371	ref	8.96	-20.5	0	382.386	2.805	0	5	3	CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)[C@H]4CCCO4)C3)cc2n1
210256961	ZINC000019523839	ref	8.51	-47.39	1	378.48	2.266	2	5	4	CCn1nc(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)c1C
197594529	ZINC000162830441	ref	3.31	-12.41	0	309.753	2.29	1	6	4	CC[C@@H](O)c1cn(Cc2cc(Cl)cc3c2OCOC3)nn1
210256962	ZINC000019523839	mid	8.47	-47.49	1	378.48	2.266	2	5	4	CCn1nc(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3CC2)c1C
210256967	ZINC000019523839	mid	7.33	-59.24	0	378.48	2.266	1	5	4	CCn1nc(C)c(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1C
210256971	ZINC000019523839	mid	7.3	-58.24	0	378.48	2.266	1	5	4	CCn1nc(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1C
290622754	ZINC000492523762	ref	6.59	-13.3	0	290.392	2.33	1	5	5	CC(C)c1nnc(CNC(=O)/C=C\c2ccsc2)n1C
342080372	ZINC000625311435	ref	4.93	-5.37	0	264.291	1.881	1	1	2	C[C@@H](CC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(F)(F)F
342080373	ZINC000625311435	mid	7.04	-40.37	1	264.291	1.881	1	1	2	C[C@@H](CC(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(F)(F)F
342080374	ZINC000625311435	high	4.93	-5.37	0	264.291	1.881	0	2	2	C[C@@H](CC(=O)N1CCN2CCC[C@@H]2C1)C(F)(F)F
342080375	ZINC000625323294	ref	0.45	-7.42	0	255.318	1.224	1	6	6	Cc1noc([C@H](C)NCCOC2CCOCC2)n1
342080376	ZINC000625323294	low	1.74	-44.6	1	255.318	1.224	1	5	6	Cc1noc([C@H](C)[NH2+]CCOC2CCOCC2)n1
342080377	ZINC000625322970	ref	5.63	-41.2	1	296.333	1.944	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1CCCO1
342080378	ZINC000625322970	high	4.4	-10.75	0	296.333	1.944	1	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@@H](C)[C@H]1CCCO1
342080379	ZINC000625322608	ref	8.31	-41.57	1	280.412	1.958	2	2	7	C=C(C)C[NH+]1CCC(NC(=O)[C@@H](OCC)C2CC2)CC1
342080380	ZINC000625322608	high	5.89	-8.58	0	280.412	1.958	1	3	7	C=C(C)CN1CCC(NC(=O)[C@@H](OCC)C2CC2)CC1
342080381	ZINC000625311439	ref	5.17	-39.48	1	296.333	1.49	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@H]([C@@H](C)O)C1
178303783	ZINC000101475053	ref	0.61	-44.61	-1	214.224	0.593	1	4	0	Cc1cc2nc3c(nc2cc1C)=C(O)C=3[O-]
365638458	ZINC000641605208	ref	2.58	-9.03	0	284.319	1.3	2	5	3	Cc1cccc2c1OC[C@@H](Nc1nccnc1C(N)=O)C2
190494002	ZINC000269433504	ref	7.14	-10.79	0	289.375	2.412	1	3	5	COc1ccccc1C1(CNC(=O)[C@@H]2CCCCO2)CC1
178303789	ZINC000036456537	ref	5.43	-38.27	1	215.3	2.604	2	1	1	Cc1cc2nc([C@@H]3CCC[NH2+]3)[nH]c2cc1C
365638466	ZINC000641605548	ref	4.51	-13.32	0	259.375	1.239	1	4	8	CC[C@H](C)CCNS(=O)(=O)CCn1ccnc1
178303792	ZINC000103596954	ref	6.19	-44.17	-1	237.328	1.913	0	4	1	Cc1cc2[n-]c(=S)n(C(C)C)c(=O)c2n1C
282123099	ZINC000533473209	ref	4.87	-9.32	0	281.356	1.845	2	4	3	CC(C)c1cc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)no1
282123100	ZINC000533471886	ref	5.19	-41.83	1	297.443	1.663	3	2	4	C[C@H](O)[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1
178303794	ZINC000103596954	mid	6.64	-10.88	0	237.328	1.913	1	4	1	Cc1cc2[nH]c(=S)n(C(C)C)c(=O)c2n1C
398245680	ZINC000651443710	ref	4.83	-5.39	0	252.358	3.43	0	4	3	CCC(C)(C)c1nc([C@@H]2CCOC(C)(C)C2)no1
282123101	ZINC000533473462	ref	1.87	-10.24	0	250.302	1.339	2	4	5	CCc1ncc(NC(=O)NC2(COC)CC2)cn1
398245682	ZINC000651444002	ref	6.18	-33.76	1	267.8	3.466	2	1	4	CC[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)[C@@H](C)O
282123102	ZINC000533472513	ref	4.1	-13.75	0	278.352	1.468	1	4	4	C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]([C@H](C)O)C1
282123103	ZINC000533471924	ref	4.48	-10.02	0	257.297	1.644	1	5	4	CCc1ncc(NC(=O)c2cncnc2CC)cn1
398245684	ZINC000651431039	ref	5.11	-31.53	1	270.376	3.08	1	2	3	C[C@@H](CO)C1CCN(c2cc[nH+]c3ccccc23)CC1
365638472	ZINC000641605548	low	5.03	-42.76	1	259.375	1.239	1	3	8	CC[C@H](C)CCNS(=O)(=O)CCn1cc[nH+]c1
398245687	ZINC000651431039	high	4.68	-7.76	0	270.376	3.08	1	3	3	C[C@@H](CO)C1CCN(c2ccnc3ccccc23)CC1
342596761	ZINC000616979648	ref	7.04	-8.97	0	250.346	1.803	0	4	5	CC[C@@H](C)N(CC)C(=O)c1cnc(N(C)C)cn1
349535267	ZINC000594969765	ref	5.44	-50.01	1	299.411	2.614	1	2	5	COc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
178303808	ZINC000249800838	ref	7.28	-46.99	1	244.342	2.405	1	3	3	Cc1cc2ncc([C@H](C)[NH2+][C@H]3C[C@H]3C)c(C)n2n1
178303816	ZINC000249800838	high	6.21	-7.47	0	244.342	2.405	1	4	3	Cc1cc2ncc([C@H](C)N[C@H]3C[C@H]3C)c(C)n2n1
178303818	ZINC000052207592	ref	6.76	-48.81	1	244.342	2.549	1	3	3	Cc1cc2ncc([C@@H](C)[NH2+]C3CCC3)c(C)n2n1
290622755	ZINC000343925183	ref	4.54	-9.41	0	304.131	2.148	2	1	2	C[C@H]1CC[C@@H]1NC(=O)c1cc(I)c[nH]1
210256973	ZINC000019523839	high	5.29	-55.72	-1	378.48	2.266	0	6	4	CCn1nc(C)c(CN2CCc3nc(-c4ccccn4)[n-]c(=O)c3CC2)c1C
210256976	ZINC000019523242	ref	10.48	-37.06	1	395.478	3.125	2	4	5	CCc1nc2ccccc2c(=O)n1CC1(O)CC[NH+](Cc2ccccc2F)CC1
214187442	ZINC000053554516	ref	7.88	-13.65	0	343.452	2.458	1	3	4	O=C(NCCc1cccs1)N1CCN(C(=O)c2ccccc2)CC1
214187445	ZINC000053525816	ref	6.44	-20.95	0	341.396	1.997	2	5	5	C[S@](=O)Cc1cccc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)c1
210256919	ZINC000272863623	low	7.11	-41.71	1	313.401	2.414	2	2	4	C[C@@](O)(CC(=O)N1CCC(c2[nH]cc[nH+]2)CC1)c1ccccc1
214187448	ZINC000053525816	mid	6.46	-20.0	0	341.396	1.997	2	5	5	C[S@](=O)Cc1cccc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)c1
342080382	ZINC000625311439	mid	5.1	-38.67	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)O)C1
365638459	ZINC000336554794	high	6.73	-38.37	1	266.429	2.077	1	2	3	CN1CCC([C@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1
185089241	ZINC000096075973	ref	7.53	-39.3	1	275.352	1.683	1	3	3	Cc1cc(C(=O)N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)no1
185089242	ZINC000096075973	mid	7.57	-40.12	1	275.352	1.683	1	3	3	Cc1cc(C(=O)N2CC[C@]3(CC[N@H+]3CC3CC3)C2)no1
214187450	ZINC000053525816	high	6.37	-59.89	-1	341.396	1.997	1	5	5	C[S@](=O)Cc1cccc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)c1
365638465	ZINC000336554324	ref	4.46	-19.98	0	280.368	2.04	0	3	2	CC1(C)C[S@@](=O)CCN1Cc1ccc(F)cc1C#N
210256922	ZINC000272863633	ref	6.08	-11.98	0	313.397	2.305	2	3	7	C[C@](O)(CC(=O)N(CCO)Cc1ccccc1)c1ccccc1
210256928	ZINC000272862976	ref	7.07	-21.11	0	316.39	1.223	1	7	6	C[C@H](Cn1cccn1)NC(=O)CSc1nnc2ccccn12
342080383	ZINC000625311439	mid	5.17	-39.48	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H]([C@@H](C)O)C1
214187453	ZINC000053525816	high	6.29	-60.71	-1	341.396	1.997	1	5	5	C[S@](=O)Cc1cccc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)c1
214187456	ZINC000053525816	high	6.28	-60.73	-1	341.396	1.997	1	5	5	C[S@](=O)Cc1cccc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)c1
185089244	ZINC000096075973	high	4.55	-8.73	0	275.352	1.683	0	4	3	Cc1cc(C(=O)N2CC[C@]3(CCN3CC3CC3)C2)no1
342080384	ZINC000625322603	ref	3.14	-12.46	0	299.392	1.712	1	4	8	COc1cccc([C@@H](CNS(=O)(=O)CC2CC2)OC)c1
342080385	ZINC000625323154	ref	3.45	-42.07	1	281.4	1.781	3	4	7	CC(C)n1cc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)cn1
398245685	ZINC000650859942	ref	4.12	-11.93	0	292.379	1.965	2	3	5	C[C@@H](CCO)N(C)C(=O)NC[C@H]1CCOc2ccccc21
365638462	ZINC000123543698	ref	3.12	-10.28	0	262.353	2.087	1	3	1	CC(C)(C)C(=O)N1CCN(c2cccc(O)c2)CC1
365638474	ZINC000123537837	ref	8.76	-45.44	1	276.428	2.484	1	3	8	C[NH+](C)CCCC1CCN(C[C@H](C#N)CCC#N)CC1
342596762	ZINC000590797243	ref	5.46	-41.62	1	259.419	1.523	3	2	9	CSCCNC(=O)NCCCC[N@H+](C)C1CC1
342080386	ZINC000625323154	high	2.31	-7.91	0	281.4	1.781	3	5	7	CC(C)n1cc([C@@H](C)NC[C@H](O)CC2(O)CCC2)cn1
342080387	ZINC000625323129	ref	0.06	-45.11	1	283.343	1.115	4	3	7	OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(F)cc1
365638483	ZINC000123537837	mid	10.87	-104.05	2	276.428	2.484	2	2	8	C[NH+](C)CCCC1CC[NH+](C[C@H](C#N)CCC#N)CC1
365638491	ZINC000123445886	ref	7.71	-40.12	1	282.428	2.277	1	2	4	C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCCO2)CC[N@@H+]1C
365638499	ZINC000123445886	mid	7.96	-37.21	1	282.428	2.277	1	2	4	C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCCO2)CC[N@H+]1C
365638504	ZINC000123445886	high	5.68	-7.17	0	282.428	2.277	0	3	4	C[C@@H]1C[C@@H](N(C)C(=O)CC[C@@H]2CCCCO2)CCN1C
365638508	ZINC000123491174	ref	8.91	-41.71	1	299.484	2.254	2	2	4	C[C@@H]1CCC[N@@H+](C[C@@H](C)NC(=O)N(C)[C@@H]2CCSC2)C1
365638516	ZINC000123491174	mid	8.86	-42.87	1	299.484	2.254	2	2	4	C[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)N(C)[C@@H]2CCSC2)C1
365638519	ZINC000123491174	high	6.56	-7.29	0	299.484	2.254	1	3	4	C[C@@H]1CCCN(C[C@@H](C)NC(=O)N(C)[C@@H]2CCSC2)C1
365638524	ZINC000123519181	ref	7.25	-10.31	0	276.365	2.063	0	5	2	C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1n1ccnc1
365638533	ZINC000123519181	low	7.96	-38.62	1	276.365	2.063	0	4	2	C[C@H]1CCN(C(=O)c2cscn2)C[C@@H]1n1cc[nH+]c1
342080388	ZINC000625323129	high	-1.09	-7.77	0	283.343	1.115	4	4	7	OC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(F)cc1
398245690	ZINC000650860083	ref	1.65	-11.29	0	294.351	1.839	1	5	4	CCOc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@@H]2O)co1
365638537	ZINC000123501008	ref	7.88	-13.4	0	281.302	2.417	0	2	1	C[C@@H]1CC[C@@H](C(=O)N2CCc3c(F)cc(F)cc3C2)O1
342080389	ZINC000625310832	ref	3.65	-39.89	1	279.38	1.814	2	3	7	Cc1ccccc1[C@H](CO)[NH2+]CCOC1CCOCC1
365638545	ZINC000123471588	ref	6.61	-9.24	0	279.384	2.086	0	4	5	CCC1(CC)[C@@H](OC)C[C@H]1N(C)C(=O)c1cnn(C)c1
342080390	ZINC000625310832	high	2.35	-7.02	0	279.38	1.814	2	4	7	Cc1ccccc1[C@H](CO)NCCOC1CCOCC1
365638557	ZINC000123546103	ref	6.14	-16.52	0	294.42	2.459	1	3	8	Cc1cccc(C)c1CCNS(=O)(=O)CCCCC#N
342080391	ZINC000625310955	ref	8.2	-12.88	0	292.383	1.559	0	5	5	CCO[C@H](C(=O)N1CCn2c(nnc2C(C)C)C1)C1CC1
349535270	ZINC000594969765	high	4.23	-14.57	0	299.411	2.614	1	3	5	COc1ccc(F)cc1CN[C@@H]1CCC[C@H]([S@](C)=O)C1
210256930	ZINC000272863570	ref	4.35	-9.16	0	324.421	2.031	2	4	9	COC[C@@H](CNC(=O)N[C@H](C)COc1c(C)cccc1C)OC
214187446	ZINC000293603300	ref	4.93	-25.66	0	369.418	0.811	0	5	4	CN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)[C@@H]1CCN(S(C)(=O)=O)C1
214187449	ZINC000293604835	ref	3.38	-14.36	0	364.265	0.893	0	4	3	CN(C(=O)c1cc(Br)cn1C)[C@@H]1CCN(S(C)(=O)=O)C1
210256931	ZINC000272863156	ref	9.0	-13.47	0	312.421	2.172	0	6	3	Cc1nc2c(c(N3CCC[C@H](Cn4ccnn4)C3)n1)CCCC2
214187452	ZINC000293607756	ref	5.19	-15.26	0	359.382	0.962	2	5	5	COC(=O)C1(NC(=O)C(=O)Nc2ccc(N(C(C)=O)C3CC3)cc2)CC1
342080392	ZINC000625323103	ref	1.75	-40.39	1	279.38	1.284	4	3	7	Cc1ccccc1[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1
210256932	ZINC000272863156	low	9.39	-37.38	1	312.421	2.172	0	5	3	Cc1nc(N2CCC[C@H](Cn3ccnn3)C2)c2c([nH+]1)CCCC2
342080393	ZINC000625323103	high	0.52	-7.05	0	279.38	1.284	4	4	7	Cc1ccccc1[C@H](CO)NC[C@H](O)CC1(O)CCC1
342080394	ZINC000625323339	ref	2.77	-9.52	0	268.744	1.71	1	3	3	CCN1CCN(Cc2cc(O)ccc2Cl)CC1=O
210256941	ZINC000272862694	ref	6.66	-10.35	0	319.445	3.2	1	3	7	COc1ccc([C@H](C)CC(=O)N2CCC(CCCO)CC2)cc1
342080395	ZINC000625323339	high	3.36	-49.34	-1	268.744	1.71	0	3	3	CCN1CCN(Cc2cc([O-])ccc2Cl)CC1=O
342080396	ZINC000625310984	ref	5.15	-52.94	1	286.335	1.365	1	5	5	Cn1cc(CC[NH2+]C2(c3ccc4c(c3)OCO4)CC2)nn1
365638468	ZINC000623070027	ref	4.62	-51.99	1	320.418	2.0	1	5	5	Cc1cnc(C(=O)N(Cc2scnc2C)C[C@H]2CC[NH2+]C2)o1
365638477	ZINC000623070707	ref	5.92	-46.83	1	318.421	1.322	1	4	4	CCn1cc(C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cn1
342080397	ZINC000625310984	high	3.98	-13.06	0	286.335	1.365	1	6	5	Cn1cc(CCNC2(c3ccc4c(c3)OCO4)CC2)nn1
342080398	ZINC000625322896	ref	5.29	-46.34	1	293.411	1.058	3	2	5	C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1
365639343	ZINC000643094564	ref	5.25	-10.81	0	298.346	2.0	2	3	1	C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N1CCc2c[nH]nc2C1
342080399	ZINC000625322896	high	2.87	-13.5	0	293.411	1.058	2	3	5	C=C(C)CN1CCC(NC(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1
192037979	ZINC000418431023	ref	4.27	-47.58	1	243.395	2.191	2	1	7	CC[C@H](C)CN(C)C(=O)NCC([NH3+])(CC)CC
365638470	ZINC000172917260	ref	3.75	-13.32	0	278.377	1.419	2	3	5	C[C@H](CNC(=O)[C@H]1CNC(=O)C1)Sc1ccccc1
365638476	ZINC000172915915	ref	2.78	-12.72	0	284.381	1.57	2	3	4	Cc1ccc(NC(=O)C(C)(C)NS(C)(=O)=O)cc1C
342080400	ZINC000625311041	ref	3.32	-10.15	0	268.386	1.228	0	5	4	CN(C)C(=O)CC1CCN(Cc2cnns2)CC1
185089246	ZINC000096078070	ref	2.79	-17.1	0	297.384	0.405	1	6	3	CN(C)C(=O)NC[C@@H]1CC2(CO1)CN(c1nncs1)C2
342080401	ZINC000625311041	low	5.68	-47.16	1	268.386	1.228	1	4	4	CN(C)C(=O)CC1CC[NH+](Cc2cnns2)CC1
342080402	ZINC000625322967	ref	5.87	-39.37	1	296.333	1.944	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1CCCO1
342080403	ZINC000625322967	high	4.65	-10.24	0	296.333	1.944	1	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@H](C)[C@H]1CCCO1
342080404	ZINC000625310761	ref	7.64	-42.05	1	276.327	1.353	1	2	5	C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)COCC(F)F
342080405	ZINC000625310761	mid	6.78	-42.14	1	276.327	1.353	1	2	5	C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)COCC(F)F
365638488	ZINC000172917689	ref	4.93	-10.96	0	259.309	1.649	1	3	3	C[C@@]1(c2ccccn2)NC(=O)N(CC2CCC2)C1=O
365638498	ZINC000172923011	ref	3.97	-10.95	0	267.373	1.368	1	4	7	COCCCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C
365638505	ZINC000189263112	ref	2.36	-9.99	0	259.309	1.234	2	4	4	N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2CCO)nc1
342080406	ZINC000625310761	high	5.33	-17.22	0	276.327	1.353	0	3	5	CN1CCC[C@H]1[C@@H]1CCCN1C(=O)COCC(F)F
342080407	ZINC000625311428	ref	5.46	-38.31	1	296.333	1.49	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H]([C@@H](C)O)C1
342080408	ZINC000625311428	mid	5.4	-38.66	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)O)C1
365638514	ZINC000172917785	ref	5.32	-18.66	0	260.337	1.918	1	2	2	CNC(=O)c1cccc(C(=O)N2CCC[C@@H](C)C2)c1
365638526	ZINC000172922464	ref	2.13	-9.67	0	297.424	1.548	1	5	7	CCCc1ncc(C(=O)NCCCN2CCOCC2)s1
365638535	ZINC000172922464	mid	4.55	-46.16	1	297.424	1.548	2	4	7	CCCc1ncc(C(=O)NCCC[NH+]2CCOCC2)s1
365638544	ZINC000172917695	ref	4.84	-11.21	0	259.309	1.649	1	3	3	C[C@]1(c2ccccn2)NC(=O)N(CC2CCC2)C1=O
349535271	ZINC000258905421	mid	7.49	-36.33	1	246.398	2.822	2	1	5	CC(C)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2N)cc1
365638552	ZINC000172918799	ref	6.7	-11.27	0	278.327	1.62	0	2	2	CC(=O)N1CCN(C(=O)[C@H](C)c2cccc(F)c2)CC1
262839698	ZINC000035135088	ref	7.03	-5.64	0	218.325	3.507	1	3	3	C[C@@H](Nc1nc2ccccc2s1)C1CC1
343994080	ZINC000625559353	ref	0.76	-10.77	0	219.306	0.518	1	3	5	C/C=C\CNS(=O)(=O)C[C@@H]1CCOC1
365638471	ZINC000336554658	ref	3.02	-15.97	0	265.7	2.189	2	4	3	Cc1ccc(NC(=O)Cn2cc(Cl)cn2)cc1O
214187451	ZINC000337632402	ref	2.8	-52.04	1	298.431	0.919	4	2	7	CC1CC[NH+](CCCNC(=O)NCC(C)(C)C(N)=O)CC1
282123104	ZINC000533472934	ref	3.37	-12.31	0	266.341	1.624	2	3	4	C[C@@H](O)[C@H]1CCCN(C(=O)NCCc2ccco2)C1
178303812	ZINC000237229028	mid	8.82	-68.66	0	359.47	1.735	2	4	5	C[NH+]1CCN([C@@H](C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2)CC1
178303814	ZINC000237237081	ref	3.27	-56.47	1	359.43	1.158	2	6	8	COCCOc1cccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
178303820	ZINC000237229734	ref	4.77	-43.37	1	358.53	1.999	2	3	6	CN1CCN([C@@H](C(=O)N[C@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
178303824	ZINC000237229734	mid	7.16	-99.62	2	358.53	1.999	3	2	6	C[NH+]1CCN([C@@H](C(=O)N[C@H](C[NH3+])C2CCCCC2)c2ccccc2)CC1
210256943	ZINC000272862212	ref	3.17	-15.06	0	310.419	1.487	2	4	6	C[C@@H](O)[C@@H]1CCN(C(=O)CCCNC(=O)c2ccsc2)C1
210256946	ZINC000272862287	ref	2.76	-11.87	0	318.395	0.726	1	4	3	Cc1cc(F)cc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)c1
210256948	ZINC000272863352	ref	3.26	-12.15	0	322.365	1.178	1	6	5	COc1ccc(NC(=O)[C@@H](C)N2CCN(C)CC2)cc1[N+](=O)[O-]
365638478	ZINC000336554655	ref	4.47	-8.68	0	294.301	2.46	1	3	3	O=C(Nc1cc(F)c(N2CCOCC2)cc1F)C1=CCC1
365638482	ZINC000336554681	ref	4.9	-19.62	0	250.298	2.232	0	3	3	Cc1cnc(C[S@](=O)c2cccc(F)c2)nc1
210256950	ZINC000272863352	mid	5.62	-47.13	1	322.365	1.178	2	5	5	COc1ccc(NC(=O)[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-]
178303826	ZINC000237236468	ref	7.6	-48.16	1	351.397	1.776	1	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)C1
178303829	ZINC000237242920	ref	2.11	-49.13	1	357.501	1.288	2	4	5	CC(=O)NCc1ccc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)s1
210256952	ZINC000272861955	ref	7.16	-13.58	0	313.401	2.254	2	4	6	Cn1cc(CNC(=O)C[C@](C)(O)C2CC2)c(-c2ccccc2)n1
290622756	ZINC000492522863	ref	4.66	-16.95	0	291.347	2.288	2	4	7	CCOc1cc(/C=C\C(=O)N[C@H](C)CC(C)=O)ccc1O
342080409	ZINC000625311428	mid	5.46	-38.31	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)O)C1
398245686	ZINC000649443872	ref	7.63	-9.56	0	246.335	3.05	0	4	3	Cc1c(-c2ccc(C(=O)C3CC3)s2)cnn1C
210256955	ZINC000272863506	ref	8.18	-10.0	0	305.418	3.249	0	3	6	CC[C@H]1C[C@@H](CC(=O)N(C)Cc2ccc(OC)cc2)CCO1
365639503	ZINC000576610667	ref	4.09	-15.52	0	213.281	0.824	1	3	6	CCN(CCOC)C(=O)NC[C@H](C)C#N
398245688	ZINC000649444008	ref	6.01	-7.29	0	216.284	2.713	0	3	2	COc1ccc(-c2cnn(C)c2C)c(C)c1
178303822	ZINC000052207592	high	5.86	-8.9	0	244.342	2.549	1	4	3	Cc1cc2ncc([C@@H](C)NC3CCC3)c(C)n2n1
178303827	ZINC000001403935	ref	6.6	-8.14	0	242.257	2.426	1	4	1	Cc1cc2ncc(-c3ccc(F)cc3)c(N)n2n1
178303833	ZINC000035186792	ref	0.16	-11.95	0	234.259	0.068	2	5	3	Cc1cc2ncc(C(=O)NCCO)c(C)n2n1
178303837	ZINC000013824595	ref	3.46	-16.88	0	247.685	2.675	2	2	0	Cc1cc2[nH]c3nc(=O)[nH]c-3cc2c(C)c1Cl
178303840	ZINC000013824595	mid	2.29	-54.86	-1	247.685	2.675	1	2	0	Cc1cc2[nH]c3nc(=O)[n-]c-3cc2c(C)c1Cl
178303841	ZINC000003163549	ref	3.17	-9.08	0	222.313	2.264	2	3	3	Cc1cc2nc(SCCO)[nH]c2cc1C
178303843	ZINC000072405377	ref	1.88	-11.43	0	241.25	2.116	2	5	1	Cc1cc2nccc(-c3cc(O)ccc3O)n2n1
178303845	ZINC000000096038	ref	6.47	-11.04	0	244.298	1.604	0	5	3	Cc1cc2ncc(C(=O)/C=C/N(C)C)c(C)n2n1
349535273	ZINC000594968609	ref	7.9	-50.08	1	268.364	2.625	1	3	4	Cc1c(C[NH2+]C(C)(C)c2cccc(C#N)c2)cnn1C
349535277	ZINC000594968609	mid	6.8	-9.35	0	268.364	2.625	1	4	4	Cc1c(CNC(C)(C)c2cccc(C#N)c2)cnn1C
210256957	ZINC000272862160	ref	0.83	-14.43	0	310.35	1.094	2	5	8	COc1ccc(C[C@@H](C)C(=O)NCCOC(N)=O)cc1OC
349535281	ZINC000594968548	ref	9.39	-40.58	1	288.42	2.666	1	4	9	C=CCCSCC[NH2+]Cc1ccnn1-c1ccccn1
398245692	ZINC000649444119	ref	7.43	-6.04	0	200.285	2.958	0	2	2	CCc1ccccc1-c1cnn(C)c1C
398245696	ZINC000649443963	ref	4.96	-56.08	1	242.322	1.738	2	1	1	C[C@@H]1Cc2c(cccc2C2=CC[NH2+]CC2)C(=O)N1
398245699	ZINC000649443946	ref	7.22	-5.42	0	241.334	3.861	1	2	4	CC(C)OCc1cccc(-c2ccc(N)cc2)c1
214187454	ZINC000293609437	ref	0.62	-9.63	0	365.43	0.789	2	6	6	COc1cc(NC(=O)C(=O)NCCN2CCCOCC2)cc(OC)c1C
178303850	ZINC000072451602	ref	6.85	-9.89	0	201.273	2.307	0	3	0	Cc1cc2ncc3c(n2n1)CCCCC3
178303852	ZINC000072464026	ref	5.56	-10.65	0	201.229	1.557	0	4	0	Cc1cc2nc3c(cn2n1)C(=O)CCC3
178303854	ZINC000020596856	ref	2.4	-49.22	1	234.303	0.989	2	4	4	Cc1cc2ncc([C@H](C)[NH2+]CCO)c(C)n2n1
178303856	ZINC000020596856	high	1.14	-9.74	0	234.303	0.989	2	5	4	Cc1cc2ncc([C@H](C)NCCO)c(C)n2n1
178303858	ZINC000074324291	ref	8.89	-41.57	1	245.37	3.438	2	1	3	Cc1cc2nc([C@H](C(C)C)[NH+](C)C)[nH]c2cc1C
398245704	ZINC000649443988	ref	4.06	-41.62	1	203.285	1.864	2	1	2	Cc1ccc(C2=CC[NH2+]CC2)cc1CO
210256959	ZINC000272861982	ref	1.63	-10.29	0	323.393	0.652	3	4	9	COC[C@H](CNC(=O)N[C@@H](C)C(=O)NCc1ccccc1)OC
210256963	ZINC000272862021	ref	8.05	-44.84	1	321.49	3.376	3	2	4	Cc1cc([C@@H](C)NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c(C)s1
349535274	ZINC000258905421	high	6.72	-42.32	1	246.398	2.822	2	1	5	CC(C)c1ccc(CCN[C@@H]2CCC[C@@H]2[NH3+])cc1
349535276	ZINC000258913392	ref	10.5	-59.9	0	249.354	2.99	1	2	7	Cc1ccc(C[N@H+](C)CCCCC(=O)[O-])cc1C
349535279	ZINC000258913392	mid	10.5	-59.89	0	249.354	2.99	1	2	7	Cc1ccc(C[N@@H+](C)CCCCC(=O)[O-])cc1C
290622757	ZINC000492522585	ref	4.6	-18.91	0	296.33	2.395	2	4	4	CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccnnc2C)cc1
210256966	ZINC000272862021	mid	8.12	-44.56	1	321.49	3.376	3	2	4	Cc1cc([C@@H](C)NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c(C)s1
210256969	ZINC000272862021	high	5.61	-7.76	0	321.49	3.376	2	3	4	Cc1cc([C@@H](C)NC(=O)N[C@H](C)C2=CCN(C)CC2)c(C)s1
349535283	ZINC000258921493	ref	8.29	-7.39	0	244.323	2.089	0	5	4	CN(CCc1cccs1)c1cc(C#N)ncn1
349535286	ZINC000602431427	ref	6.75	-43.9	1	226.276	1.693	1	4	6	CCC[N@H+](CC)Cc1cc(C(=O)OC)no1
210256924	ZINC000265968471	ref	-1.21	-18.98	0	367.349	0.276	2	5	5	O=C(CCNS(=O)(=O)c1cccnc1)N1CC[C@@](O)(C(F)(F)F)C1
342080410	ZINC000625311442	ref	5.12	-38.79	1	296.333	1.49	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H]([C@H](C)O)C1
342080411	ZINC000625311442	mid	5.06	-38.86	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)O)C1
342080412	ZINC000625311442	mid	5.12	-38.79	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H]([C@H](C)O)C1
342080413	ZINC000625323202	ref	5.85	-39.96	1	289.383	1.383	2	4	5	C=C(C)C[NH+]1CCC(NC(=O)c2cn(C3CC3)nn2)CC1
342080414	ZINC000625323202	high	3.44	-7.84	0	289.383	1.383	1	5	5	C=C(C)CN1CCC(NC(=O)c2cn(C3CC3)nn2)CC1
210256974	ZINC000265965733	ref	1.96	-45.43	1	364.446	0.78	5	4	7	CCOc1ccc(NC(=O)CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1
342080415	ZINC000625311027	ref	8.54	-11.57	0	274.368	1.763	0	4	2	CCc1nnc2n1CCN(C(=O)[C@@H]1CCCC13CC3)C2
185089249	ZINC000096076056	ref	5.81	-39.66	1	278.371	2.122	1	2	5	COCC[N@@H+]1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1
342080416	ZINC000625322891	ref	2.48	-40.97	1	273.174	1.951	2	2	5	C[C@H](CO)[C@H](C)[NH2+]Cc1ccncc1Br
342080417	ZINC000625322891	high	1.41	-5.23	0	273.174	1.951	2	3	5	C[C@H](CO)[C@H](C)NCc1ccncc1Br
342080418	ZINC000625322899	ref	5.0	-45.95	1	293.411	1.058	3	2	5	C=C(C)C[NH+]1CCC(NC(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1
185089251	ZINC000096076056	mid	5.56	-39.4	1	278.371	2.122	1	2	5	COCC[N@H+]1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1
210256978	ZINC000265965733	high	-0.41	-12.41	0	364.446	0.78	4	5	7	CCOc1ccc(NC(=O)CNC(=O)NCC2(O)CCN(C)CC2)cc1
210256982	ZINC000265969739	ref	4.24	-33.04	0	358.358	0.836	2	7	4	Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(N)c([N+](=O)[O-])c3)C2=O)cn1
185089252	ZINC000096076056	high	3.13	-3.63	0	278.371	2.122	0	3	5	COCCN1CC[C@@]2(CCN2Cc2ccc(F)cc2)C1
185089255	ZINC000096078449	ref	3.6	-38.9	1	281.331	1.028	2	4	3	Fc1cccnc1NC[C@@H]1CO[C@]2(C[NH2+]CCOC2)C1
342080419	ZINC000625322899	high	2.58	-13.23	0	293.411	1.058	2	3	5	C=C(C)CN1CCC(NC(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1
342080420	ZINC000625323105	ref	0.45	-40.36	1	279.38	1.284	4	3	7	Cc1ccccc1[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1
214187457	ZINC000293609437	mid	2.82	-46.47	1	365.43	0.789	3	5	6	COc1cc(NC(=O)C(=O)NCC[N@@H+]2CCCOCC2)cc(OC)c1C
214187458	ZINC000293609437	mid	2.83	-45.95	1	365.43	0.789	3	5	6	COc1cc(NC(=O)C(=O)NCC[N@H+]2CCCOCC2)cc(OC)c1C
349535275	ZINC000621243606	ref	4.84	-13.64	0	273.34	2.047	3	4	3	C[C@@H]1CCCC[C@H]1Nc1ncnc2[nH]cc(C(N)=O)c12
349535278	ZINC000621243606	low	5.2	-33.12	1	273.34	2.047	3	3	3	C[C@@H]1CCCC[C@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
349535280	ZINC000621243328	ref	6.28	-10.27	0	289.423	2.47	0	3	5	CCC(CC)C(=O)N1CCN(Cc2ccnc(C)c2)CC1
349535282	ZINC000621243328	low	8.24	-52.97	1	289.423	2.47	1	2	5	CCC(CC)C(=O)N1CC[NH+](Cc2ccnc(C)c2)CC1
214187461	ZINC000293611228	ref	4.07	-15.92	0	350.444	0.73	0	5	4	CN(C)c1cc(C#N)cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1
210256987	ZINC000265970098	ref	1.66	-30.89	0	364.449	0.59	2	8	9	COC(=O)CCCc1nnc(NC(=O)NCCCS(C)(=O)=O)s1
210256993	ZINC000265966263	ref	1.02	-22.97	0	369.472	0.473	2	5	7	CCS(=O)(=O)NCc1ccc(C(=O)NCC2N=NC(=S)N2C)cc1
210256998	ZINC000265963058	ref	4.03	-51.67	1	357.476	0.81	2	4	9	COCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1
349535285	ZINC000621243662	ref	5.55	-41.25	1	259.357	2.024	2	4	5	C[NH+](C)CC(C)(C)CNc1nccc2nccnc12
349535287	ZINC000621242503	ref	6.77	-53.48	-1	258.277	2.087	0	5	2	Cc1cccc(-c2nc3n(c2C(=O)[O-])CCOC3)c1
349535291	ZINC000621242542	ref	6.79	-53.28	-1	258.277	2.087	0	5	2	Cc1ccccc1-c1nc2n(c1C(=O)[O-])CCOC2
210257003	ZINC000265963058	mid	4.04	-52.09	1	357.476	0.81	2	4	9	COCC[N@@H+](C)CCNC(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1
349535284	ZINC000594968548	high	8.03	-7.56	0	288.42	2.666	1	5	9	C=CCCSCCNCc1ccnn1-c1ccccn1
349535288	ZINC000594969603	ref	7.49	-50.44	1	291.395	2.866	1	3	5	Cc1ccc(C[NH2+]C[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-]
282123105	ZINC000533472514	ref	4.05	-15.8	0	278.352	1.468	1	4	4	C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]([C@@H](C)O)C1
282123106	ZINC000533472038	ref	1.71	-8.77	0	252.314	1.935	2	3	5	CC(C)(C)CCCNC(=O)c1ccc(C(N)=O)o1
365638475	ZINC000576605057	ref	2.42	-10.61	0	238.291	0.285	1	5	3	CCn1nncc1C(=O)N1CCC[C@]1(C)CO
282123107	ZINC000533472412	ref	4.02	-9.18	0	273.252	1.594	1	6	4	CCc1ncc(NC(=O)c2ccc([N+](=O)[O-])cn2)cn1
282123108	ZINC000533472556	ref	4.38	-14.16	0	282.384	1.008	1	3	3	C[C@@H](O)[C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
343994083	ZINC000625559028	ref	4.43	-9.93	0	239.34	1.725	1	2	6	C/C=C/CNS(=O)(=O)CCc1ccccc1
343994085	ZINC000625559262	ref	0.91	-14.68	0	216.262	0.67	1	4	5	C/C=C/CNS(=O)(=O)Cc1ccon1
214187464	ZINC000337630096	ref	3.09	-35.68	1	258.362	0.328	2	3	8	CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCOCCO
214187466	ZINC000337630096	mid	3.44	-34.84	1	258.362	0.328	2	3	8	CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCOCCO
342080421	ZINC000625323105	high	-0.84	-7.46	0	279.38	1.284	4	4	7	Cc1ccccc1[C@H](CO)NC[C@@H](O)CC1(O)CCC1
365638481	ZINC000576601847	ref	10.85	-44.38	1	248.414	3.827	1	1	4	CC(C)CCC1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1
342080422	ZINC000625311024	ref	8.53	-12.11	0	274.368	1.763	0	4	2	CCc1nnc2n1CCN(C(=O)[C@H]1CCCC13CC3)C2
178305343	ZINC000050194733	ref	6.67	-53.79	1	239.282	1.558	1	4	2	Cc1cc2nnc(-c3cccc(C[NH3+])c3)n2cn1
178305347	ZINC000096033000	ref	8.08	-9.86	0	230.315	2.647	1	3	1	Cc1cc2ncnc(N3CCCCCC3)c2[nH]1
178305351	ZINC000096033000	low	8.53	-25.87	1	230.315	2.647	1	2	1	Cc1cc2[nH+]cnc(N3CCCCCC3)c2[nH]1
178305353	ZINC000050194591	ref	6.51	-11.48	0	225.255	1.682	1	5	1	Cc1cc2nnc(-c3cccc(N)c3)n2cn1
398245689	ZINC000651431199	ref	7.56	-9.98	0	297.826	3.453	1	2	6	CCCN(CC(C)(C)O)C(=O)[C@@H](C)c1ccc(Cl)cc1
398245691	ZINC000651434332	ref	7.4	-9.59	0	293.794	3.225	0	2	2	C[C@@H](C(=O)N1CCC12CCOCC2)c1ccc(Cl)cc1
365638486	ZINC000175991067	ref	6.49	-10.91	0	235.331	2.719	1	3	3	Cn1nccc1NC(=O)CC1CCCCCC1
365638496	ZINC000576599938	ref	4.72	-14.13	0	223.154	0.778	0	5	2	COC(=O)Cn1nc(C(F)(F)F)nc1C
365638503	ZINC000576604773	ref	2.79	-9.69	0	220.272	0.551	2	3	4	C[C@@H](CC(=O)NCC#CCO)n1cccc1
290622758	ZINC000492522155	ref	1.81	-11.34	0	289.36	2.443	2	5	4	Cc1cnc([C@H](C)NC(=O)/C=C\c2cncc(O)c2)s1
290622760	ZINC000492522155	high	2.58	-53.08	-1	289.36	2.443	1	5	4	Cc1cnc([C@H](C)NC(=O)/C=C\c2cncc([O-])c2)s1
290622762	ZINC000492522255	ref	6.91	-32.98	1	288.391	2.348	2	2	4	C[NH+](C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)cc1
342596763	ZINC000590797243	mid	5.47	-41.71	1	259.419	1.523	3	2	9	CSCCNC(=O)NCCCC[N@@H+](C)C1CC1
342596764	ZINC000590797181	ref	4.37	-38.06	1	255.28	1.801	2	2	4	CC(C)(O)C[N@@H+]1CCC[C@H](OCC(F)(F)F)C1
136229330	ZINC000293217746	ref	3.73	-6.14	0	233.258	1.739	1	2	5	C=CCC(F)(F)C(=O)N[C@@H](C)[C@@H]1CCOC1
342596765	ZINC000590797181	mid	4.6	-35.7	1	255.28	1.801	2	2	4	CC(C)(O)C[N@H+]1CCC[C@H](OCC(F)(F)F)C1
349535289	ZINC000602431427	mid	6.76	-43.97	1	226.276	1.693	1	4	6	CCC[N@@H+](CC)Cc1cc(C(=O)OC)no1
361823554	ZINC000035800917	low	6.95	-42.94	1	296.436	2.02	1	2	4	CCC[NH+]1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
185089256	ZINC000096077957	ref	2.78	-50.23	1	264.329	-0.159	2	4	3	Cn1cc(N2C[C@@]3(CC[N@H+](CCO)C3)CC2=O)cn1
293078536	ZINC000360632022	ref	6.53	-12.5	0	283.412	2.321	0	3	5	COC[C@H](C)[C@H](C)C(=O)N1CC(C)(C)[C@H]1[C@@H]1CCCO1
259308427	ZINC000322965662	ref	6.93	-32.02	1	231.339	2.547	2	1	5	OC[C@H]1CCC[N@@H+]1CC/C=C\c1ccccc1
361823561	ZINC000035905422	ref	3.67	-7.45	0	281.787	2.233	3	1	3	C[NH+]1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
361823569	ZINC000035905422	high	3.67	-7.45	0	281.787	2.233	2	2	3	CN1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1
361823574	ZINC000035792590	ref	8.54	-48.33	1	295.386	2.445	0	3	2	Cc1ccc(-c2cncc(C(=O)N3CCN(C)CC3)c2)cc1
361823584	ZINC000035792590	low	8.54	-48.33	1	295.386	2.445	1	2	2	Cc1ccc(-c2cncc(C(=O)N3CC[NH+](C)CC3)c2)cc1
361823589	ZINC000035793608	ref	2.4	-7.3	0	260.259	2.23	2	1	4	C[C@H]([NH2+][C@@H](C)c1ccccc1C(F)(F)F)C(N)=O
361823599	ZINC000035793608	mid	2.4	-7.3	0	260.259	2.23	2	2	4	C[C@H](N[C@@H](C)c1ccccc1C(F)(F)F)C(N)=O
361823605	ZINC000035819314	ref	6.76	-8.44	0	274.408	2.466	2	1	5	CC(C)NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1
361823612	ZINC000035819314	mid	6.76	-8.44	0	274.408	2.466	1	2	5	CC(C)NC(=O)CN1CCC(Cc2ccccc2)CC1
361823619	ZINC000035786499	ref	7.5	-57.59	-1	283.283	2.424	0	4	2	O=C([O-])c1cccc(C(=O)N2CCOc3ccccc32)c1
361823624	ZINC000035959492	ref	7.32	-8.94	0	267.712	2.174	0	3	2	COC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1
361823629	ZINC000035792901	ref	1.53	-10.24	0	276.258	2.11	2	2	5	C[C@H]([NH2+][C@H](C)C(N)=O)c1ccc(OC(F)(F)F)cc1
178303832	ZINC000237237126	ref	3.98	-54.5	1	373.457	1.466	2	6	8	COCCOc1cccc(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1
210257004	ZINC000265963058	high	1.6	-19.91	0	357.476	0.81	1	5	9	COCCN(C)CCNC(=O)N(C)Cc1ccc(S(C)(=O)=O)cc1
210257009	ZINC000265967914	ref	5.71	-23.33	0	363.326	0.065	0	7	5	COC[C@H]1CN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CCO1
178303834	ZINC000237235967	ref	1.15	-47.95	1	352.334	1.537	2	4	4	COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@H]1CC[NH2+]C1
178303835	ZINC000237232083	ref	7.99	-103.25	2	370.419	1.825	3	2	4	C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@H]2CCC[NH2+]2)CC1
178303836	ZINC000237232083	mid	5.62	-39.41	1	370.419	1.825	2	3	4	CN1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)[C@H]2CCC[NH2+]2)CC1
178303838	ZINC000237243189	ref	4.53	-58.78	1	373.457	1.582	2	6	8	COc1ccc(CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1OC
210257015	ZINC000265968106	ref	1.05	-21.71	0	363.457	0.436	0	6	6	COc1cc2c(cc1OC)CN(S(=O)(=O)CCS(C)(=O)=O)CC2
178303839	ZINC000237230644	ref	7.69	-53.63	1	360.437	1.362	1	5	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)C1
178303842	ZINC000237226324	ref	5.35	-53.28	1	359.451	1.559	1	3	4	C[NH2+]C[C@H]1CCCN1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O
178303844	ZINC000237235752	ref	3.61	-48.92	1	359.43	1.083	2	6	7	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@@H]3CCC[NH2+]C3)n2)cc1
178303846	ZINC000237243817	ref	8.59	-55.0	1	367.247	1.868	2	4	8	COCC[NH2+]CC(=O)Nc1nccn1Cc1ccc(Br)cc1
185089258	ZINC000096077957	mid	3.04	-50.27	1	264.329	-0.159	2	4	3	Cn1cc(N2C[C@@]3(CC[N@@H+](CCO)C3)CC2=O)cn1
185089259	ZINC000096077957	high	0.52	-10.86	0	264.329	-0.159	1	5	3	Cn1cc(N2C[C@@]3(CCN(CCO)C3)CC2=O)cn1
210257023	ZINC000265964404	ref	4.0	-15.7	0	361.398	0.327	1	5	5	COC[C@H]1CN(C(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CCO1
210257027	ZINC000265969653	ref	5.34	-16.85	0	365.386	0.535	1	7	5	CCO[C@@H]1C[C@H](O)C12CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2
199273114	ZINC000294963074	mid	1.54	-8.22	0	264.703	2.229	2	3	6	CC[C@@H](NCc1cccnc1Cl)[C@@H](O)C(F)F
185089261	ZINC000096075951	ref	5.58	-37.23	1	275.352	1.018	1	3	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccccn1)C2
178303847	ZINC000237243817	mid	7.24	-19.11	0	367.247	1.868	2	5	8	COCCNCC(=O)Nc1nccn1Cc1ccc(Br)cc1
349536163	ZINC000602431468	low	7.71	-105.42	2	239.363	1.189	2	2	6	C[C@H](CCC#N)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1
342596766	ZINC000590797181	high	2.38	-4.96	0	255.28	1.801	1	3	4	CC(C)(O)CN1CCC[C@H](OCC(F)(F)F)C1
342596767	ZINC000590797273	ref	3.68	-13.46	0	253.371	1.595	2	3	6	CSCCNC(=O)NCCc1ncccc1C
365638479	ZINC000641605043	ref	1.61	-10.95	0	258.318	1.233	0	4	1	C[C@H]1CN(c2ccncc2F)C[C@@H](C)S1(=O)=O
365638485	ZINC000641605043	low	2.08	-48.08	1	258.318	1.233	0	3	1	C[C@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)S1(=O)=O
365638489	ZINC000641605096	ref	2.48	-14.71	0	298.408	1.277	1	4	5	Cc1ccncc1CCNS(=O)(=O)[C@@H]1CCOC[C@@H]1C
365638493	ZINC000641602148	ref	3.31	-15.55	0	254.289	1.442	1	3	1	O=C(c1cccc2cnccc12)N1C[C@H]2C[C@@]2(O)C1
365638497	ZINC000641605103	ref	-1.07	-10.15	0	287.319	1.42	1	6	4	COc1ccc(-c2nnc(N3C[C@@H]4[C@@H](CO)[C@@H]4C3)o2)cc1
214187460	ZINC000053527291	ref	8.38	-16.04	0	331.339	2.689	2	6	4	O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccn(-c2ccccc2)n1
214187463	ZINC000053527291	mid	8.38	-14.15	0	331.339	2.689	2	6	4	O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccn(-c2ccccc2)n1
299072268	ZINC000354602604	ref	-0.97	-15.88	0	328.365	0.157	3	4	6	O=C(CNS(=O)(=O)c1ccccc1F)N[C@@H]1C=C[C@@H](CO)C1
365638500	ZINC000641605881	ref	1.59	-47.7	0	254.378	1.789	1	3	6	CCC(C)(C)c1n[n-]c(=NC[C@@H](C)C[NH+](C)C)o1
365638507	ZINC000641605297	ref	2.46	-10.57	0	272.345	1.623	0	4	2	CC[C@@H]1CN(c2ccncc2F)C[C@H](C)S1(=O)=O
365638510	ZINC000641605297	low	2.93	-48.06	1	272.345	1.623	0	3	2	CC[C@@H]1CN(c2cc[nH+]cc2F)C[C@H](C)S1(=O)=O
349535290	ZINC000594969603	mid	9.93	-38.87	1	291.395	2.866	2	3	5	Cc1ccc(CNC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-]
349535293	ZINC000594969603	mid	9.43	-36.87	1	291.395	2.866	2	3	5	Cc1ccc(CNC[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-]
349535296	ZINC000594969603	low	9.04	-129.07	2	291.395	2.866	2	2	5	Cc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-]
342596768	ZINC000616979562	ref	5.56	-42.36	1	253.39	1.023	1	2	4	CC[C@H](C)N(CC)C(=O)[C@@H]1C[N@H+]2CCCN1CC2
365638515	ZINC000641605933	ref	1.33	-10.44	0	261.387	1.257	2	3	6	C[C@@H](NS(=O)(=O)CC1(C)CCC1)C1(CO)CC1
178303851	ZINC000237240280	ref	6.54	-69.33	-1	350.396	1.955	0	7	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc(-c3ccc(C)o3)n2)C1
365638520	ZINC000641602130	ref	4.46	-11.65	0	270.332	1.992	2	2	1	Cc1ccc2[nH]c(C(=O)N3C[C@@H]4C[C@]4(O)C3)cc2c1C
342596769	ZINC000616979562	mid	5.73	-44.63	1	253.39	1.023	1	2	4	CC[C@H](C)N(CC)C(=O)[C@@H]1C[N@@H+]2CCCN1CC2
365638525	ZINC000641605044	ref	2.0	-10.9	0	258.318	1.233	0	4	1	C[C@H]1CN(c2ccncc2F)C[C@H](C)S1(=O)=O
178303853	ZINC000237237350	ref	9.25	-78.83	0	354.41	1.389	2	5	5	C[NH+]1CCN(c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccn2)CC1
178303855	ZINC000237237350	mid	6.9	-57.33	-1	354.41	1.389	1	6	5	CN1CCN(c2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccn2)CC1
178303857	ZINC000237227314	ref	2.45	-55.2	1	363.277	1.817	1	3	4	COc1cc(S(=O)(=O)N2CCC(C[NH3+])CC2)ccc1Br
365638480	ZINC000617441455	ref	3.39	-25.71	0	283.295	0.985	2	6	2	C[C@H]1C[C@@H](NC(=O)c2cccc3n[nH]nc23)c2ncnn21
168366168	ZINC000041054007	ref	3.67	-41.24	1	183.226	1.94	1	1	3	C[C@@H]([NH3+])[C@@H](C)Oc1ccccc1F
178303859	ZINC000237224932	ref	9.24	-47.11	1	374.51	1.937	1	5	5	C[NH2+]C[C@H]1CCCN1C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3
214187465	ZINC000293603293	ref	4.84	-33.28	0	369.418	0.811	0	5	4	CN(C(=O)[C@H]1CC(c2cccc(F)c2)=NO1)[C@H]1CCN(S(C)(=O)=O)C1
178303860	ZINC000237225167	ref	3.45	-45.06	1	373.247	1.633	2	4	7	COCC[NH2+]CC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2
214187471	ZINC000293600962	ref	8.02	-41.88	1	374.42	0.877	2	5	3	Cc1c(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)nnn1Cc1ccccc1F
214190469	ZINC000053601092	ref	8.46	-9.29	0	347.459	3.077	0	4	4	CCN(Cc1ccncc1)C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1
178303862	ZINC000237225167	high	2.11	-11.14	0	373.247	1.633	2	5	7	COCCNCC(=O)N[C@H](C)c1cc2c(cc1Br)OCCO2
178303864	ZINC000237238429	ref	7.17	-46.42	1	362.493	1.794	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)C1
210257031	ZINC000265965695	ref	-1.99	-14.3	0	373.406	0.092	4	5	6	CC(C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
210257034	ZINC000265965695	high	-2.28	-54.34	-1	373.406	0.092	3	5	6	CC(C)(O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1
210257036	ZINC000265969944	ref	4.21	-16.49	0	366.439	0.836	0	5	3	C[C@H]1Oc2ccccc2N(CCC(=O)N2CCS(=O)(=O)C[C@H]2C)C1=O
210257039	ZINC000265969750	ref	2.97	-30.96	0	371.397	0.21	2	6	6	Cn1cc(N2CCC[C@H](NC(=O)c3ccc(OCC(N)=O)cc3)C2=O)cn1
178303866	ZINC000237238429	low	9.26	-94.22	2	362.493	1.794	2	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1
178303867	ZINC000237230069	ref	8.72	-46.28	1	362.493	1.794	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)C1
210257043	ZINC000265965350	ref	8.45	-31.71	0	365.397	0.926	1	7	4	Cn1cc(N2CCC[C@@H](NC(=O)c3ccc(-n4cnnc4)cc3)C2=O)cn1
349535292	ZINC000602431427	mid	4.65	-6.19	0	226.276	1.693	0	5	6	CCCN(CC)Cc1cc(C(=O)OC)no1
349535295	ZINC000258907914	ref	5.52	-45.02	1	244.342	1.367	1	3	3	CN(Cc1ccc2c(c1)ncn2C)[C@@H]1CC[NH2+]C1
349535299	ZINC000602430237	ref	6.87	-40.05	1	215.3	2.351	1	2	5	C=C(C)C[N@@H+](CC)Cc1cccc(C#N)n1
197594550	ZINC000162825766	ref	9.11	-12.49	0	312.417	3.308	0	4	4	CC(C)C[C@@H]1CCCCN1C(=O)c1cc(-n2cccn2)ccn1
342596770	ZINC000616979562	high	3.67	-6.9	0	253.39	1.023	0	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CN2CCCN1CC2
342596771	ZINC000590797449	ref	3.95	-10.88	0	260.403	1.996	2	3	6	CCO[C@@H]1CCCC[C@H]1NC(=O)NCCSC
342596772	ZINC000590797192	ref	5.55	-37.84	1	260.381	1.826	2	2	3	CC(C)(O)C[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1
365638484	ZINC000617441455	low	3.38	-29.48	0	283.295	0.985	2	6	2	C[C@H]1C[C@@H](NC(=O)c2cccc3[nH]nnc23)c2ncnn21
365638487	ZINC000617441455	high	3.17	-62.49	-1	283.295	0.985	1	6	2	C[C@H]1C[C@@H](NC(=O)c2cccc3nn[n-]c23)c2ncnn21
349535302	ZINC000602430237	mid	7.65	-38.06	1	215.3	2.351	1	2	5	C=C(C)C[N@H+](CC)Cc1cccc(C#N)n1
349535304	ZINC000602430237	mid	4.81	-8.44	0	215.3	2.351	0	3	5	C=C(C)CN(CC)Cc1cccc(C#N)n1
342596773	ZINC000616979534	ref	4.7	-9.84	0	284.4	1.397	1	3	6	CC[C@H](C)N(CC)C(=O)CCC(=O)N1CCC(O)CC1
365638492	ZINC000617441455	high	3.23	-62.1	-1	283.295	0.985	1	6	2	C[C@H]1C[C@@H](NC(=O)c2cccc3[n-]nnc23)c2ncnn21
365638495	ZINC000617441455	high	3.38	-62.46	-1	283.295	0.985	1	6	2	C[C@H]1C[C@@H](NC(=O)c2cccc3n[n-]nc23)c2ncnn21
282123109	ZINC000449155801	ref	4.82	-40.54	1	282.771	2.278	2	2	5	CCC[NH2+][C@@H](C)C(=O)N[C@H]1COc2ccc(Cl)cc21
282123113	ZINC000449155943	ref	6.01	-58.32	1	275.364	2.427	1	1	7	C[C@H](C[NH2+]CCC[S@@](C)=O)c1cc(F)cc(F)c1
282123116	ZINC000449155803	ref	4.81	-40.51	1	282.771	2.278	2	2	5	CCC[NH2+][C@H](C)C(=O)N[C@H]1COc2ccc(Cl)cc21
365638501	ZINC000617440196	ref	5.21	-19.86	0	297.322	0.996	1	7	2	C[C@@H]1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)c2ncnn21
349535307	ZINC000258900583	ref	5.79	-40.34	1	239.334	2.488	2	1	6	Cc1cc(C[NH2+]C[C@H](CO)C(C)C)ccc1F
349535310	ZINC000258913850	ref	5.19	-37.71	1	243.297	2.319	2	1	6	CC(C)[C@@H](CO)C[NH2+]Cc1ccc(F)cc1F
168366172	ZINC000104585960	ref	-4.76	-41.9	1	104.153	-1.127	3	2	3	C[C@@H]([NH3+])NCCO
342596774	ZINC000590797537	ref	5.23	-10.38	0	270.398	1.702	1	3	4	CSCCNC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1
349535313	ZINC000258913850	high	3.53	-5.41	0	243.297	2.319	2	2	6	CC(C)[C@@H](CO)CNCc1ccc(F)cc1F
210256984	ZINC000272862805	mid	5.74	-10.43	0	318.461	2.691	1	3	7	CCN(C)[C@@H](C(=O)N1CCC(CCCO)CC1)c1ccccc1
210256986	ZINC000272862918	ref	6.22	-62.39	1	311.422	2.64	1	2	6	C=CCS(=O)(=O)CC[NH2+][C@@H]1c2cccc(F)c2CC[C@H]1C
210256990	ZINC000272862918	high	5.04	-15.11	0	311.422	2.64	1	3	6	C=CCS(=O)(=O)CCN[C@@H]1c2cccc(F)c2CC[C@H]1C
210256991	ZINC000272862330	ref	2.1	-12.21	0	312.41	2.455	3	4	11	CCC[C@H](CCO)CNC(=O)N[C@H](CCOC)c1ccco1
365638490	ZINC000336554353	ref	7.68	-29.59	0	282.343	2.313	1	2	2	Cc1c[nH]cc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1=O
365638494	ZINC000336555011	ref	6.65	-33.36	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1
210256995	ZINC000272862279	ref	3.63	-20.54	0	324.446	2.284	2	3	8	C=CCS(=O)(=O)CCNC(=O)N[C@@H](c1ccccc1)C(C)C
214187467	ZINC000053527291	high	8.31	-60.59	-1	331.339	2.689	1	6	4	O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccn(-c2ccccc2)n1
210256999	ZINC000272862715	ref	9.8	-13.25	0	308.389	2.88	1	6	3	Cc1nc2c(c(N[C@H](C)c3nnc4ccccn34)n1)CCCC2
210257002	ZINC000272862715	low	10.19	-35.85	1	308.389	2.88	1	5	3	Cc1nc(N[C@H](C)c2nnc3ccccn23)c2c([nH+]1)CCCC2
210257005	ZINC000272862026	ref	6.14	-8.93	0	315.417	3.335	2	3	5	CC[C@@H]1C[C@@H](CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1
210257010	ZINC000272863317	ref	9.27	-42.1	1	314.433	2.29	2	3	6	CC(C)[C@H](C(=O)NCc1cn(C)nc1-c1ccccc1)[NH+](C)C
210257013	ZINC000272863317	high	7.3	-11.17	0	314.433	2.29	1	4	6	CC(C)[C@H](C(=O)NCc1cn(C)nc1-c1ccccc1)N(C)C
210257016	ZINC000272863678	ref	7.74	-12.83	0	306.406	2.979	1	3	8	C=CCN(CCc1ccco1)C(=O)NCC[C@@H]1CCCCO1
365638502	ZINC000336555011	mid	5.74	-37.26	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1
365638506	ZINC000336555011	low	8.1	-96.77	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1
210257021	ZINC000272862328	ref	7.07	-17.58	0	318.373	1.569	0	5	4	COC(=O)[C@H]1C[C@H]1C(=O)N1CCC(Oc2cc(C)ccn2)CC1
210257025	ZINC000272862339	ref	3.09	-18.4	0	317.389	1.408	3	3	5	C[C@H](O)[C@@H]1CCN(C(=O)CCCc2ccc3[nH]c(=O)[nH]c3c2)C1
210257029	ZINC000272862290	ref	2.76	-9.84	0	318.395	0.726	1	4	3	Cc1cc(F)cc(S(=O)(=O)N2CCSC[C@H]2C(N)=O)c1
210256979	ZINC000019523242	mid	8.13	-9.89	0	395.478	3.125	1	5	5	CCc1nc2ccccc2c(=O)n1CC1(O)CCN(Cc2ccccc2F)CC1
214187468	ZINC000337630096	high	0.69	-7.9	0	258.362	0.328	1	4	8	CCCN1CCC[C@@H]1C(=O)N(C)CCOCCO
365638509	ZINC000336555011	low	7.79	-95.75	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)n1
365638513	ZINC000336555011	low	8.1	-96.77	2	265.426	2.368	2	2	2	Cc1csc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1
342596775	ZINC000590797606	ref	3.66	-12.06	0	256.375	1.626	2	4	6	CCn1cc([C@@H](C)NC(=O)NCCSC)cn1
365638518	ZINC000336555011	low	8.06	-97.84	2	265.426	2.368	2	2	2	Cc1csc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)n1
365638521	ZINC000336554750	ref	7.09	-33.16	1	266.429	2.363	1	2	3	C1CCC([NH+]2CCN(C[C@@H]3CCCOC3)CC2)CC1
365638528	ZINC000336554750	mid	6.78	-35.24	1	266.429	2.363	1	2	3	C1CCC(N2CC[NH+](C[C@@H]3CCCOC3)CC2)CC1
342596776	ZINC000590797247	ref	5.49	-9.04	0	272.414	1.95	1	3	5	CSCCNC(=O)N1CCOC[C@@H]1CC1CCC1
342596777	ZINC000590797172	ref	5.5	-39.75	1	263.385	1.895	3	3	5	Cc1ccnc(NC[C@@H]2CC[N@H+](CC(C)(C)O)C2)c1
398245693	ZINC000650859106	ref	4.21	-7.94	0	270.373	1.527	2	3	10	C[C@@H](COCC1CC1)NC(=O)NCCOCC1CC1
398245697	ZINC000650858900	ref	7.18	-42.65	1	297.443	1.927	2	2	4	CC(C)O[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1
342596778	ZINC000590797172	mid	5.62	-41.0	1	263.385	1.895	3	3	5	Cc1ccnc(NC[C@@H]2CC[N@@H+](CC(C)(C)O)C2)c1
342596779	ZINC000590797172	mid	5.88	-78.48	2	263.385	1.895	3	2	5	Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(C)(C)O)C2)c1
342596780	ZINC000590797172	mid	5.93	-80.65	2	263.385	1.895	3	2	5	Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(C)(C)O)C2)c1
342596781	ZINC000616979795	ref	1.74	-12.66	0	288.369	1.448	1	4	6	CC[C@@H](C)N(CC)C(=O)c1coc(S(=O)(=O)NC)c1
365638532	ZINC000336554675	ref	5.53	-14.15	0	288.347	2.328	2	3	3	O=C1COc2c(cccc2C(=O)NCC2CCCCC2)N1
365638534	ZINC000336555010	ref	5.88	-38.51	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1
365638538	ZINC000336555010	mid	5.42	-39.19	1	265.426	2.368	1	3	2	Cc1csc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1
365638540	ZINC000336555010	low	8.12	-98.59	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)n1
365638542	ZINC000336555010	low	7.67	-99.01	2	265.426	2.368	2	2	2	Cc1csc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)n1
168366175	ZINC000104585960	high	-5.06	-3.53	0	104.153	-1.127	3	3	3	C[C@@H](N)NCCO
342596782	ZINC000616979795	mid	1.29	-40.69	-1	288.369	1.448	0	4	6	CC[C@@H](C)N(CC)C(=O)c1coc(S(=O)(=O)[N-]C)c1
342596783	ZINC000590797213	ref	4.53	-8.63	0	262.309	1.615	1	3	3	C[C@@H]1C(=O)N(CC(C)(C)O)C(=O)N1c1ccccc1
190494032	ZINC000269432218	ref	1.79	-13.38	0	283.372	1.684	3	4	7	CC[C@@](C)(CCO)NC(=O)NCCc1c(C)noc1C
210256983	ZINC000019525787	ref	10.6	-56.35	1	395.547	4.508	1	4	8	CCCc1ncc(C[NH2+][C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccc(OC)c(OC)c2)cn1
210256988	ZINC000019523264	ref	9.51	-25.84	0	390.491	3.165	1	6	6	CCc1nc2ccccc2n1CC(=O)N[C@H](C)Cn1nnc2cc(C)c(C)cc21
349535294	ZINC000621242183	ref	8.63	-58.25	-1	297.301	2.406	1	3	7	O=C(C[C@H](C(=O)[O-])c1ccccc1)NCC[C@@H]1CC1(F)F
349535297	ZINC000621241901	ref	6.17	-38.05	1	252.383	2.313	2	2	6	CC(C)[NH2+]CC(=O)N[C@@H](c1cccs1)C1CC1
178303861	ZINC000074324291	mid	7.1	-5.79	0	245.37	3.438	1	2	3	Cc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1C
178303863	ZINC000002384352	ref	5.47	-42.66	-1	245.16	1.755	0	5	1	Cc1cc2ncc(C(=O)[O-])c(C(F)(F)F)n2n1
178303865	ZINC000034928924	ref	5.61	-58.85	1	238.294	2.163	1	3	2	Cc1cc2nccc(-c3cccc(C[NH3+])c3)n2n1
210256992	ZINC000019523264	low	9.99	-39.92	1	390.491	3.165	1	5	6	CCc1[nH+]c2ccccc2n1CC(=O)N[C@H](C)Cn1nnc2cc(C)c(C)cc21
178303868	ZINC000000041279	ref	6.77	-8.8	0	240.331	3.975	0	3	1	Cc1cc2ncc(-c3cccs3)nc2cc1C
178303872	ZINC000001398923	ref	5.04	-8.23	0	226.161	1.928	0	4	0	Cc1cc2ncc(C#N)c(C(F)(F)F)n2n1
178303875	ZINC000070166145	ref	7.13	-53.76	1	244.342	2.46	1	3	3	Cc1cc2ncc(C[NH2+]C3CCCCC3)cn2n1
398245694	ZINC000651431736	ref	4.93	-6.02	0	276.405	3.141	1	4	3	C[C@@H](CO)C1CCN(c2nccc3sccc23)CC1
398245698	ZINC000651431176	ref	6.32	-8.24	0	283.799	3.063	1	2	5	CCN(CC(C)(C)O)C(=O)[C@@H](C)c1ccc(Cl)cc1
178303880	ZINC000264493637	ref	4.95	-9.73	0	244.298	1.628	1	4	2	Cc1cc2ncc(C(=O)NC3CCC3)c(C)n2n1
398245702	ZINC000651431038	ref	5.11	-31.34	1	270.376	3.08	1	2	3	C[C@H](CO)C1CCN(c2cc[nH+]c3ccccc23)CC1
398245706	ZINC000651431038	high	4.68	-7.7	0	270.376	3.08	1	3	3	C[C@H](CO)C1CCN(c2ccnc3ccccc23)CC1
192037961	ZINC000273085011	low	5.5	-37.0	1	266.736	1.49	2	5	5	Cn1cc(CCCNc2nc[nH+]c(N)c2Cl)cn1
178303892	ZINC000031870820	ref	7.78	-16.28	0	248.289	2.926	1	4	0	Cc1cc2nc3ccccc3n2c2nc(N)ccc12
178303895	ZINC000036722748	ref	5.74	-43.33	0	248.286	1.081	1	5	4	Cc1cc2ncc([C@@H](C)[NH2+]CC(=O)[O-])c(C)n2n1
178303897	ZINC000036722748	high	4.61	-47.48	-1	248.286	1.081	1	6	4	Cc1cc2ncc([C@@H](C)NCC(=O)[O-])c(C)n2n1
342596784	ZINC000590797210	ref	3.64	-10.63	0	257.293	1.649	2	4	2	CC(C)(O)Cn1ncc2c([nH]c3ccccc32)c1=O
210256996	ZINC000019525358	ref	6.33	-9.71	0	388.449	2.876	0	8	6	CCCc1cc(C(=O)N2CCO[C@H](c3nc(Cc4cccs4)no3)C2)no1
210257001	ZINC000019523419	ref	6.31	-13.54	0	380.496	2.461	0	6	4	CCc1ncc(CN2CCCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cn1
210257006	ZINC000019525068	ref	3.96	-59.49	1	376.486	1.255	1	6	4	CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[NH2+]C3)cn1
210257008	ZINC000019525068	high	2.61	-13.99	0	376.486	1.255	1	7	4	CCn1cc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CCNC3)cn1
210257011	ZINC000019525002	ref	8.21	-62.61	1	397.479	1.841	2	5	4	CCn1cc(NC(=O)CN2CC3(CC[NH+](C)CC3)Oc3ccccc3C2=O)cn1
210257014	ZINC000019525002	high	5.81	-21.29	0	397.479	1.841	1	6	4	CCn1cc(NC(=O)CN2CC3(CCN(C)CC3)Oc3ccccc3C2=O)cn1
214187469	ZINC000053527291	high	8.22	-61.4	-1	331.339	2.689	1	6	4	O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccn(-c2ccccc2)n1
214187472	ZINC000053527291	high	8.22	-61.42	-1	331.339	2.689	1	6	4	O=C(Nc1n[n-]c(-c2ccccn2)n1)c1ccn(-c2ccccc2)n1
210257018	ZINC000019524387	ref	10.7	-22.48	0	392.459	3.64	1	6	4	CCn1c(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)nc2ccccc21
342596785	ZINC000590797219	ref	5.13	-37.3	1	278.396	1.977	2	3	5	CCN1C[C@H](C[N@H+](C)CC(C)(C)O)Oc2ccccc21
210257022	ZINC000019524387	low	11.17	-36.42	1	392.459	3.64	1	5	4	CCn1c(N2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)[nH+]c2ccccc21
210257026	ZINC000019525317	ref	8.67	-16.98	0	397.479	2.342	0	6	4	CCCc1cc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)no1
365638511	ZINC000617441643	ref	4.15	-17.29	0	287.327	0.57	1	7	3	C[C@H]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)c2ncnn21
365638517	ZINC000617442377	ref	1.31	-62.08	-1	262.273	0.451	2	6	2	Cc1n[nH]c(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1[O-]
185089263	ZINC000096075951	mid	5.64	-40.43	1	275.352	1.018	1	3	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1ccccn1)C2
365639516	ZINC000576610693	ref	3.62	-9.5	0	240.347	1.901	2	2	3	C[C@H]1CCC[C@@H]1CNC(=O)N[C@H]1CCCOC1
197594563	ZINC000162833235	ref	4.83	-4.51	0	305.603	2.706	1	3	2	OC[C@@H]1CCCN(c2ncc(Cl)cc2Br)C1
197594565	ZINC000162827121	ref	6.22	-11.03	0	318.417	2.464	1	3	3	CC(C)NC(=O)c1ccc(C(=O)N2C[C@@H](C)OC(C)(C)C2)cc1
178303869	ZINC000237230069	low	9.27	-93.63	2	362.493	1.794	2	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)C1
178303870	ZINC000237235571	ref	6.53	-42.32	1	354.45	1.737	2	3	7	CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1
365638512	ZINC000576604060	ref	5.97	-32.12	1	241.375	2.35	1	2	7	C[C@H]([NH2+]CCOCC1CCC1)[C@@]1(C)CCCO1
365638523	ZINC000576601846	ref	10.82	-43.4	1	248.414	3.827	1	1	4	CC(C)CCC1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1
178303871	ZINC000237235571	mid	5.32	-13.42	0	354.45	1.737	2	4	7	CN(C[C@H](O)COCc1ccccc1)C(=O)[C@H]1Cc2ccccc2CN1
178303873	ZINC000237224688	ref	8.99	-56.53	-1	350.39	1.54	0	4	6	CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
178303874	ZINC000237227893	ref	5.63	-50.01	1	351.476	1.063	2	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)Cc2csc(N3CCCNC3=O)n2)C1
178303876	ZINC000237228150	ref	4.45	-49.2	1	358.385	1.724	2	4	10	COc1ccc(CCNC(=O)C[NH2+]C[C@H]2CCCO2)cc1OC(F)F
342080423	ZINC000625311526	ref	3.42	-34.55	1	282.359	1.795	2	3	9	CCCCCN(CC(N)=O)Cc1cc(CO)ccc1F
282123110	ZINC000533472687	ref	2.24	-11.09	0	264.329	1.41	2	4	2	Cc1ncc(NC(=O)N2CCC[C@H]([C@H](C)O)C2)cn1
282123111	ZINC000533472425	ref	3.87	-9.4	0	275.348	1.95	1	3	2	C[C@H](O)[C@@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1
214187470	ZINC000337628273	ref	9.68	-8.19	0	286.419	3.453	1	2	7	CCN(CC)c1ccc(C(=O)NCC2(C3CC3)CC2)cc1
255763873	ZINC000458721854	ref	5.01	-45.68	1	339.524	2.74	4	2	8	C[C@H](CCO)CCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1
342080424	ZINC000625311526	low	3.09	-36.94	1	282.359	1.795	3	2	9	CCCCC[N@H+](CC(N)=O)Cc1cc(CO)ccc1F
342080425	ZINC000625311526	low	3.42	-34.55	1	282.359	1.795	3	2	9	CCCCC[N@@H+](CC(N)=O)Cc1cc(CO)ccc1F
342080426	ZINC000625322609	ref	8.4	-41.39	1	280.412	1.958	2	2	7	C=C(C)C[NH+]1CCC(NC(=O)[C@H](OCC)C2CC2)CC1
342080427	ZINC000625322609	high	6.03	-8.16	0	280.412	1.958	1	3	7	C=C(C)CN1CCC(NC(=O)[C@H](OCC)C2CC2)CC1
342080428	ZINC000625323102	ref	0.44	-40.29	1	279.38	1.284	4	3	7	Cc1ccccc1[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1
342080429	ZINC000625323102	high	-0.64	-7.39	0	279.38	1.284	4	4	7	Cc1ccccc1[C@@H](CO)NC[C@@H](O)CC1(O)CCC1
342080430	ZINC000625310935	ref	8.37	-9.36	0	284.367	1.924	1	5	4	c1n[nH]cc1-c1nnc(N2CC[C@H]3C[C@H]3C2)n1CC1CC1
342080431	ZINC000625323071	ref	-0.12	-8.05	0	293.754	1.962	2	5	6	COc1cncc(CN[C@H](CO)c2ccc(Cl)cc2)n1
342596786	ZINC000590797219	mid	5.33	-35.58	1	278.396	1.977	2	3	5	CCN1C[C@H](C[N@@H+](C)CC(C)(C)O)Oc2ccccc21
342596787	ZINC000590797219	high	3.28	-5.87	0	278.396	1.977	1	4	5	CCN1C[C@H](CN(C)CC(C)(C)O)Oc2ccccc21
342596788	ZINC000590797325	ref	5.13	-10.2	0	260.403	1.806	1	3	4	CO[C@@H]1CCN(C(=O)NCCSC)CC1(C)C
342596789	ZINC000590796989	ref	4.62	-12.21	0	269.326	1.606	2	5	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1nccs1
365638522	ZINC000617440935	ref	4.0	-14.62	0	250.302	0.969	1	5	2	C[C@@H]1C[C@H](NC(=O)[C@@]2(C)CCCO2)c2ncnn21
178303878	ZINC000237228150	high	3.11	-16.61	0	358.385	1.724	2	5	10	COc1ccc(CCNC(=O)CNC[C@H]2CCCO2)cc1OC(F)F
210257030	ZINC000019522499	ref	8.35	-51.41	1	385.464	2.839	2	5	6	CCOc1cc2c(cc1C[N@@H+]1CCC[C@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2
210257033	ZINC000019522499	mid	7.63	-50.47	1	385.464	2.839	2	5	6	CCOc1cc2c(cc1C[N@H+]1CCC[C@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2
210257035	ZINC000019522499	mid	5.91	-11.39	0	385.464	2.839	1	6	6	CCOc1cc2c(cc1CN1CCC[C@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2
210257047	ZINC000265967862	ref	2.26	-21.12	0	367.471	0.724	2	4	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H](C(=O)NC)C2)cc1
398245695	ZINC000349565535	ref	3.19	-49.43	1	239.29	2.047	2	2	4	C[C@@]1(C[NH2+]Cc2cc(O)cc(F)c2)CCOC1
398245701	ZINC000349565535	high	3.96	-59.84	0	239.29	2.047	1	2	4	C[C@@]1(C[NH2+]Cc2cc([O-])cc(F)c2)CCOC1
214187473	ZINC000293600962	mid	7.89	-42.06	1	374.42	0.877	2	5	3	Cc1c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)nnn1Cc1ccccc1F
210256904	ZINC000004714871	low	5.33	-11.25	0	346.239	2.882	1	4	3	C/N=C1\SC(CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C
210256909	ZINC000004714871	low	5.33	-11.25	0	346.239	2.882	1	4	3	C/N=C1\S[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)N1C
210256914	ZINC000004714072	ref	9.96	-7.55	0	342.192	4.102	0	3	2	Cc1ccc(C2=N/C(=C\c3ccccc3Br)C(=O)O2)cc1
210256917	ZINC000004712860	ref	10.79	-7.18	0	334.444	5.112	0	4	4	COc1ccccc1[C@@H]1CC(c2cccs2)=NN1c1ccccc1
342596790	ZINC000616979592	ref	6.55	-8.21	0	251.33	1.733	0	4	6	CC[C@@H](C)N(CC)C(=O)C(=O)c1cnn(CC)c1
214187474	ZINC000293600962	mid	6.02	-12.42	0	374.42	0.877	1	6	3	Cc1c(NC(=O)C(=O)N2CCCN(C)CC2)nnn1Cc1ccccc1F
342596791	ZINC000616979872	ref	4.66	-21.95	0	263.403	1.847	0	3	5	CC[C@@H](C)N(CC)C(=O)CS(=O)(=O)C(C)(C)C
422733273	ZINC000629564703	low	4.28	-119.51	2	309.376	1.749	3	1	3	C[C@H](C(=O)NC(C)(C)C)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1
178303881	ZINC000237236483	ref	4.35	-55.53	1	370.515	1.937	1	4	9	COc1ccc(S(=O)(=O)C[C@H](C)C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1
178303882	ZINC000237242231	ref	9.0	-101.4	2	352.482	1.844	3	2	7	C[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1
178303883	ZINC000237242231	mid	7.4	-42.76	1	352.482	1.844	2	3	7	C[NH2+]CC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1
178303885	ZINC000237242231	high	5.96	-7.14	0	352.482	1.844	2	4	7	CNCC(=O)NCc1ccccc1CN1CCN(c2ccccc2)CC1
178303887	ZINC000237235979	ref	3.62	-48.97	1	359.43	1.083	2	6	7	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@H]3CCC[NH2+]C3)n2)cc1
365638527	ZINC000617440525	ref	6.03	-43.06	1	265.361	0.986	2	4	4	CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)[NH+](C)C
299072269	ZINC000567660212	high	5.71	-10.67	0	290.407	2.322	1	3	5	COCc1ccc(CN[C@H]2CCN(C(C)(C)C)C2=O)cc1
365638530	ZINC000617440525	high	4.23	-14.9	0	265.361	0.986	1	5	4	CC(C)[C@@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)N(C)C
365638536	ZINC000617440043	ref	6.79	-24.0	0	291.355	0.801	1	5	4	CC[C@H](C(=O)N[C@H]1C[C@H](C)n2ncnc21)N1CCCC1=O
306234457	ZINC000557850049	ref	3.62	-13.24	0	340.376	1.473	1	4	5	CN1C(=O)c2ccc(S(=O)(=O)NCCC3(F)CCC3)cc2C1=O
306234458	ZINC000557847860	ref	3.44	-13.58	0	331.42	1.597	2	4	5	COCCN1CCN(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1
178303888	ZINC000237227805	ref	8.64	-59.38	-1	351.447	1.789	0	6	7	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)CCc2c(C)nn(CC(C)C)c2C)C1
178303889	ZINC000237237056	ref	4.16	-48.26	1	354.472	1.315	1	4	7	C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)CS(=O)(=O)c1ccc(OC)cc1
306234459	ZINC000557847860	mid	5.67	-48.2	1	331.42	1.597	3	3	5	COCC[NH+]1CCN(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1
365638543	ZINC000617442177	ref	3.32	-17.94	0	293.371	0.368	1	6	4	C[C@H]1C[C@H](NC(=O)[C@H](C)CN2CCOCC2)c2ncnn21
365638547	ZINC000617442177	mid	5.21	-49.98	1	293.371	0.368	2	5	4	C[C@H]1C[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)c2ncnn21
365638551	ZINC000617441708	ref	4.54	-18.74	0	264.329	0.951	2	5	4	C[C@@H]1C[C@@H](NC(=O)C[C@](C)(O)C2CC2)c2ncnn21
365638555	ZINC000617441429	ref	3.78	-16.03	0	252.318	0.807	2	5	4	CC[C@H](C)[C@H](O)C(=O)N[C@H]1C[C@H](C)n2ncnc21
365638561	ZINC000617439572	ref	2.62	-16.52	0	250.302	0.705	2	5	2	C[C@@H]1C[C@@H](NC(=O)C2(O)CCCC2)c2ncnn21
365638564	ZINC000617442373	ref	4.17	-17.48	0	263.345	0.884	2	4	5	CC[N@H+](CC(=O)N[C@H]1C[C@H](C)n2ncnc21)C1CC1
214187475	ZINC000337629790	ref	0.81	-14.13	0	267.289	0.316	2	5	6	CCc1n[nH]c(C(=O)NCCN2CCC2)c1[N+](=O)[O-]
190494035	ZINC000269436047	ref	6.17	-13.63	0	295.329	2.299	1	2	3	O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC(CO)CC1
349535298	ZINC000594969603	low	10.28	-125.84	2	291.395	2.866	2	2	5	Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-]
214187479	ZINC000337629790	mid	3.99	-51.32	1	267.289	0.316	3	4	6	CCc1n[nH]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
214187480	ZINC000337629790	high	3.81	-50.51	0	267.289	0.316	2	4	6	CCc1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
342596792	ZINC000616979559	ref	5.79	-38.55	1	253.39	1.023	1	2	4	CC[C@@H](C)N(CC)C(=O)[C@H]1C[N@H+]2CCCN1CC2
299072270	ZINC000358087174	ref	8.66	-58.46	1	319.796	1.802	1	4	4	C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
323004635	ZINC000127178926	ref	2.8	-44.17	1	236.315	1.439	2	2	6	CC[C@](C)([NH2+]Cc1cccc(OC)c1)C(N)=O
342596793	ZINC000616979559	mid	5.29	-41.88	1	253.39	1.023	1	2	4	CC[C@@H](C)N(CC)C(=O)[C@H]1C[N@@H+]2CCCN1CC2
282123112	ZINC000533471885	ref	5.17	-41.35	1	297.443	1.663	3	2	4	C[C@@H](O)[C@H]1CCCN(C(=O)NCC2([NH+](C)C)CCCC2)C1
282123114	ZINC000533473267	ref	3.95	-12.99	0	284.331	1.777	1	4	8	CC(C)CO[C@H](C)C(=O)NCCOc1ncccc1F
342596794	ZINC000616979559	high	3.83	-6.87	0	253.39	1.023	0	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CN2CCCN1CC2
214187483	ZINC000337631954	ref	2.56	-11.23	0	257.334	0.284	1	3	4	CO[C@@H](C)CCNC(=O)N1CC(=O)N(C)[C@@H](C)C1
214187488	ZINC000337629450	ref	8.99	-13.26	0	277.372	2.113	1	4	2	Cc1cc(N(C)C)nc(NC(=O)N2C[C@H](C)C[C@H]2C)n1
282123115	ZINC000533472516	ref	3.42	-17.05	0	265.313	1.173	1	5	6	CCc1ncc(NC(=O)COC[C@H]2CCCO2)cn1
282123117	ZINC000533473612	ref	2.79	-15.78	0	292.314	1.253	1	5	6	C[C@H](C(=O)NCCOc1ncccc1F)c1cnn(C)c1
214187492	ZINC000337629967	ref	11.9	-101.88	2	272.436	3.37	2	0	4	C[C@@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C)C2)C1
214187495	ZINC000337629967	mid	11.91	-102.52	2	272.436	3.37	2	0	4	C[C@@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C)C2)C1
349535301	ZINC000594969603	high	6.49	-8.49	0	291.395	2.866	1	4	5	Cc1ccc(CNC[C@@H]2CCN2C(C)(C)C)cc1[N+](=O)[O-]
210256972	ZINC000272863640	ref	2.42	-17.36	0	311.407	2.022	2	5	5	CC(C)[C@@H]1C[C@@H](CC(=O)Nc2ncc(C(N)=O)s2)CCO1
342596795	ZINC000590797171	ref	5.44	-39.81	1	263.385	1.895	3	3	5	Cc1ccnc(NC[C@H]2CC[N@H+](CC(C)(C)O)C2)c1
282123119	ZINC000533473210	ref	4.99	-8.48	0	281.356	1.845	2	4	3	CC(C)c1cc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)no1
349535300	ZINC000621241901	high	4.98	-5.26	0	252.383	2.313	2	3	6	CC(C)NCC(=O)N[C@@H](c1cccs1)C1CC1
349535303	ZINC000621243909	ref	4.68	-6.55	0	296.418	2.411	0	4	4	Cc1cc(CN2CCN(Cc3ccnc(C)c3)CC2)ccn1
190494040	ZINC000269431847	ref	7.38	-8.32	0	284.45	2.82	0	4	4	CS[C@@H]1CCCCN(C(=O)CCc2nccs2)C1
349535306	ZINC000621243909	low	6.96	-44.71	1	296.418	2.411	1	3	4	Cc1cc(CN2CC[NH+](Cc3ccnc(C)c3)CC2)ccn1
282123118	ZINC000449154669	ref	6.1	-39.05	1	284.425	2.111	1	3	9	CCC[NH2+][C@@H](C)C(=O)N(CCOC)Cc1cccs1
282123121	ZINC000449155033	ref	6.98	-48.5	1	299.393	2.41	1	2	5	CN(C)C1(C[NH2+]Cc2ccncc2F)Cc2ccccc2C1
178303891	ZINC000237228792	ref	3.87	-50.83	1	374.529	1.332	1	4	7	CN1CCN([C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)c2ccccc2)CC1
185089265	ZINC000096075951	mid	2.53	-9.5	0	275.352	1.018	0	4	4	COCCN1CC[C@@]12CCN(C(=O)c1ccccn1)C2
178303893	ZINC000237228792	mid	6.23	-89.49	2	374.529	1.332	2	3	7	C[NH+]1CCN([C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)c2ccccc2)CC1
178303894	ZINC000237228792	low	5.8	-84.57	2	374.529	1.332	2	3	7	CN1CC[NH+]([C@@H](C(=O)N2CCC(OCCC[NH3+])CC2)c2ccccc2)CC1
282123124	ZINC000449155033	mid	7.75	-39.35	1	299.393	2.41	2	2	5	C[NH+](C)C1(CNCc2ccncc2F)Cc2ccccc2C1
178303896	ZINC000237240186	ref	8.36	-65.29	-1	360.435	1.977	0	6	6	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Cc2csc(Cc3ccccc3)n2)C1
178303899	ZINC000237224993	ref	7.43	-60.03	1	350.459	1.719	1	4	8	COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2C[NH2+]CCO2)cc1OC
299072271	ZINC000354602604	high	-1.06	-55.02	-1	328.365	0.157	2	4	6	O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@@H]1C=C[C@@H](CO)C1
178303900	ZINC000237224993	mid	5.96	-15.19	0	350.459	1.719	1	5	8	COc1ccc(CCN(CC(C)C)C(=O)[C@@H]2CNCCO2)cc1OC
365638529	ZINC000641605044	low	2.47	-48.02	1	258.318	1.233	0	3	1	C[C@H]1CN(c2cc[nH+]cc2F)C[C@H](C)S1(=O)=O
365638531	ZINC000641605622	ref	3.66	-15.99	0	287.352	1.071	1	8	4	Cc1nnsc1CNc1ccc(-c2ccnn2C)nn1
178303901	ZINC000237230131	ref	9.03	-65.86	-1	357.41	1.889	1	6	6	COC[C@@](C)(NC(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2)C(=O)[O-]
178303902	ZINC000237242855	ref	7.73	-53.61	1	359.47	1.815	1	3	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)C1
349535308	ZINC000621243893	ref	2.3	-6.44	0	287.182	2.273	2	3	2	C[C@@H](O)CN=c1[nH]c2c(Br)cccc2s1
342596796	ZINC000590797171	mid	5.68	-41.48	1	263.385	1.895	3	3	5	Cc1ccnc(NC[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1
349535305	ZINC000594969037	ref	8.05	-47.3	1	276.336	2.765	1	3	7	CCO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1
349535309	ZINC000594969708	ref	7.45	-51.53	1	291.395	2.866	1	3	5	Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCN1C(C)(C)C
210256977	ZINC000272862805	ref	7.71	-35.34	1	318.461	2.691	2	2	7	CC[N@H+](C)[C@@H](C(=O)N1CCC(CCCO)CC1)c1ccccc1
197594588	ZINC000162835278	ref	7.28	-12.52	0	321.417	2.593	2	4	6	CC(C)[C@@H](O)CC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
210256980	ZINC000272862805	mid	7.74	-35.9	1	318.461	2.691	2	2	7	CC[N@@H+](C)[C@@H](C(=O)N1CCC(CCCO)CC1)c1ccccc1
349535312	ZINC000594969708	mid	9.66	-40.24	1	291.395	2.866	2	3	5	Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@@H+]1C(C)(C)C
349535314	ZINC000594969708	mid	7.63	-40.79	1	291.395	2.866	2	3	5	Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CC[N@H+]1C(C)(C)C
342596797	ZINC000590797171	mid	5.89	-80.15	2	263.385	1.895	3	2	5	Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC(C)(C)O)C2)c1
342596798	ZINC000590797171	mid	5.96	-80.16	2	263.385	1.895	3	2	5	Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(C)(C)O)C2)c1
342596799	ZINC000590797538	ref	5.13	-13.47	0	270.398	1.702	1	3	4	CSCCNC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1
342596800	ZINC000590797420	ref	3.97	-11.03	0	296.436	1.869	3	3	7	CSCCNC(=O)N[C@H](CO)Cc1ccc(C)c(C)c1
210256622	ZINC000272863658	mid	6.89	-45.97	1	311.426	1.525	3	3	7	CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1
342596801	ZINC000590797324	ref	5.12	-10.34	0	260.403	1.806	1	3	4	CO[C@H]1CCN(C(=O)NCCSC)CC1(C)C
342596802	ZINC000616979751	ref	4.72	-9.43	0	263.341	1.458	1	3	6	CC[C@H](C)N(CC)C(=O)CNC(=O)c1cccnc1
342596803	ZINC000590797272	ref	2.97	-10.07	0	264.366	1.415	2	3	6	CSCCNC(=O)NCC1(CF)CCOCC1
342596804	ZINC000590797373	ref	4.37	-11.82	0	258.387	1.562	1	3	3	CSCCNC(=O)N1CCC[C@]2(CCOC2)C1
210256625	ZINC000272863658	high	4.53	-9.99	0	311.426	1.525	2	4	7	CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1
349535317	ZINC000594969708	low	10.32	-131.5	2	291.395	2.866	2	2	5	Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[N@@H+]1C(C)(C)C
349535320	ZINC000594969708	low	9.01	-134.63	2	291.395	2.866	2	2	5	Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[N@H+]1C(C)(C)C
229488889	ZINC000310070546	ref	7.29	-33.98	1	239.403	3.216	1	1	3	CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C
229488903	ZINC000310090155	ref	9.6	-43.37	1	236.403	3.827	1	1	5	CC[C@@H]1CC[C@H](C)[N@H+](CCCC(C)(C)C#N)C1
229488908	ZINC000310090155	mid	9.87	-42.38	1	236.403	3.827	1	1	5	CC[C@@H]1CC[C@H](C)[N@@H+](CCCC(C)(C)C#N)C1
342596805	ZINC000590797552	ref	3.85	-14.11	0	253.371	1.595	2	3	6	CSCCNC(=O)NCCc1ccc(C)cn1
342596806	ZINC000590797474	ref	5.93	-14.68	0	282.413	1.876	1	4	4	CSCCNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C
214187476	ZINC000053535174	ref	2.69	-67.88	1	336.255	1.039	1	4	4	Cc1nn(CC[NH2+][C@H]2CCS(=O)(=O)C2)c(C)c1Br
214187478	ZINC000053535174	high	1.53	-15.99	0	336.255	1.039	1	5	4	Cc1nn(CCN[C@H]2CCS(=O)(=O)C2)c(C)c1Br
342596807	ZINC000590797474	low	6.39	-35.09	1	282.413	1.876	1	3	4	CSCCNC(=O)N1CC(C)(C)[C@@H]1c1[nH+]ccn1C
342596808	ZINC000590797321	ref	3.96	-10.73	0	258.387	1.416	1	3	3	CSCCNC(=O)N1CC(C)(C)[C@@H]2COC[C@@H]21
342596809	ZINC000590797593	ref	4.65	-12.34	0	299.318	1.113	1	3	5	CSCCNC(=O)N1CC(=O)N(CCC(F)(F)F)C1
219048151	ZINC000286547677	ref	4.68	-17.78	0	302.374	1.581	1	3	2	CC(=O)N1CCc2cc(C(=O)N(C)[C@@H]3CCC[C@H]3O)ccc21
349535311	ZINC000621242832	ref	6.87	-47.41	-1	294.257	2.365	0	5	2	Cc1cc(-c2nc3n(c2C(=O)[O-])CCOC3)c(F)cc1F
349535315	ZINC000621243495	ref	5.08	-13.47	0	287.367	2.293	3	4	3	C[C@@H]1CCC[C@@H](Nc2ncnc3[nH]cc(C(N)=O)c23)[C@@H]1C
219048154	ZINC000286546237	ref	8.4	-20.95	0	311.341	2.46	1	5	3	O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc2n(n1)CCCC2
219048158	ZINC000286547712	ref	5.17	-14.01	0	321.421	2.564	2	3	4	CCc1[nH]ccc1C(=O)N1CC[C@@H](CNC(=O)OC(C)(C)C)C1
219048161	ZINC000286546617	ref	8.07	-8.86	0	312.373	2.285	0	6	4	CCOC(=O)c1cnccc1N1CC=C(c2ccnn2C)CC1
349535319	ZINC000621243495	low	5.44	-33.07	1	287.367	2.293	3	3	3	C[C@@H]1CCC[C@@H](Nc2[nH+]cnc3[nH]cc(C(N)=O)c23)[C@@H]1C
349535323	ZINC000621242478	ref	7.54	-52.57	-1	272.304	2.341	0	5	3	CCc1ccc(-c2nc3n(c2C(=O)[O-])CCOC3)cc1
349535326	ZINC000621243607	ref	5.12	-13.08	0	273.34	2.047	3	4	3	C[C@@H]1CCCC[C@@H]1Nc1ncnc2[nH]cc(C(N)=O)c12
219048164	ZINC000286546617	mid	8.54	-45.06	1	312.373	2.285	0	5	4	CCOC(=O)c1c[nH+]ccc1N1CC=C(c2ccnn2C)CC1
295666394	ZINC000412985416	ref	6.87	-11.94	0	312.42	2.569	0	8	4	COC(=O)c1cc(CSc2nnnn2C(C)(C)C)cs1
219048169	ZINC000286546193	ref	0.58	-15.83	0	304.346	0.635	2	4	4	COc1ccc(C(=O)N2CC[C@@](O)(C(N)=O)C2)cc1C1CC1
178303898	ZINC000035203176	ref	0.98	-11.03	0	248.286	0.457	2	5	3	Cc1cc2ncc(C(=O)NC[C@@H](C)O)c(C)n2n1
342596810	ZINC000590797281	ref	7.06	-11.1	0	284.429	1.951	1	4	7	CSCCNC(=O)N(Cc1cnn(C)c1)CC(C)C
342596811	ZINC000590797209	ref	5.65	-43.9	1	276.38	1.781	3	2	6	C[N@H+](Cc1ccc(C(=O)NC2CC2)cc1)CC(C)(C)O
343994084	ZINC000139305805	high	3.37	-7.84	0	191.234	1.485	1	4	3	Cc1nccn1C[C@@H](N)c1ccco1
365638539	ZINC000641605665	ref	1.01	-11.34	0	290.41	1.548	1	5	4	C[C@H](NS(=O)(=O)[C@H]1CCOC[C@H]1C)c1cscn1
365638541	ZINC000641605880	ref	1.5	-49.21	0	254.378	1.789	1	3	6	CCC(C)(C)c1n[n-]c(=NC[C@H](C)C[NH+](C)C)o1
365638548	ZINC000641605559	ref	1.37	-7.94	0	298.144	1.566	2	5	4	COc1ncc(Br)c(N[C@H](C)c2ncc[nH]2)n1
365638550	ZINC000641605559	low	1.84	-33.83	1	298.144	1.566	2	4	4	COc1ncc(Br)c(N[C@H](C)c2[nH]cc[nH+]2)n1
365638554	ZINC000641605074	ref	0.3	-8.51	0	273.292	1.723	0	6	3	COc1ccc(-c2nnc(N3CCO[C@H]4C[C@H]43)o2)cc1
398245700	ZINC000650858900	mid	6.75	-43.28	1	297.443	1.927	2	2	4	CC(C)O[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1
365638559	ZINC000641602172	ref	2.12	-13.59	0	288.278	1.286	2	3	1	O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1C[C@H]2C[C@@]2(O)C1
365638563	ZINC000641602164	ref	3.55	-14.43	0	283.274	1.424	1	3	4	O=C(Cc1ccccc1OC(F)F)N1C[C@@H]2C[C@]2(O)C1
365638569	ZINC000641602065	ref	2.76	-13.61	0	297.367	1.765	1	3	4	CC1(C)C[C@@H](NS(=O)(=O)C[C@@H]2C(C)(C)C2(F)F)CO1
365638573	ZINC000641605024	ref	3.41	-6.96	0	278.356	1.006	2	5	6	COCC1(CNc2cc(C(N)=O)ncn2)CCCCC1
365638581	ZINC000641605105	ref	5.25	-6.05	0	251.33	1.062	1	5	5	COCC1(CNc2ncncc2C)CCOCC1
398245703	ZINC000650858900	high	4.99	-8.2	0	297.443	1.927	1	3	4	CC(C)O[C@@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)C2)C1
398245707	ZINC000650858499	ref	-0.17	-13.64	0	282.369	1.076	3	4	4	Cc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)cs1
398245711	ZINC000650859689	ref	2.09	-10.32	0	284.4	1.797	3	3	5	CC1(CNC(=O)NCC[C@@]2(O)CCCOC2)CCCC1
365638587	ZINC000641605269	ref	3.59	-8.61	0	286.335	1.8	1	6	6	COc1ccc(CNc2cc(C3CC3)ncn2)c(OC)n1
365638591	ZINC000641605045	ref	2.0	-10.79	0	258.318	1.233	0	4	1	C[C@@H]1CN(c2ccncc2F)C[C@@H](C)S1(=O)=O
365638594	ZINC000641605045	low	2.47	-47.92	1	258.318	1.233	0	3	1	C[C@@H]1CN(c2cc[nH+]cc2F)C[C@@H](C)S1(=O)=O
349535316	ZINC000602430954	ref	7.43	-49.02	1	220.32	1.792	1	3	6	C[C@@H](CCC#N)C[N@H+](C)Cc1cnn(C)c1
306234460	ZINC000557853550	ref	7.72	-46.72	1	348.472	1.821	1	4	3	C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
178303908	ZINC000071256324	ref	5.06	-56.61	-1	202.213	1.945	0	4	1	Cc1cc2nccc(C(=O)[O-])c2nc1C
365638599	ZINC000641602144	ref	0.75	-8.25	0	292.379	1.33	2	5	3	OCc1ccnc(N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1
365638602	ZINC000641602144	low	1.12	-32.15	1	292.379	1.33	2	4	3	OCc1cc[nH+]c(N2CCOC[C@@H]2[C@@H]2CCCC[C@@H]2O)c1
214187477	ZINC000293608992	ref	3.39	-23.57	0	354.366	0.809	1	7	4	Cc1cc(O)cc(=O)n1CC(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1
342596812	ZINC000590797209	mid	5.67	-42.29	1	276.38	1.781	3	2	6	C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)CC(C)(C)O
342596813	ZINC000590797209	high	3.86	-9.47	0	276.38	1.781	2	3	6	CN(Cc1ccc(C(=O)NC2CC2)cc1)CC(C)(C)O
365638546	ZINC000336555010	low	7.55	-97.4	2	265.426	2.368	2	2	2	Cc1csc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1
365638549	ZINC000336555010	low	8.23	-98.4	2	265.426	2.368	2	2	2	Cc1csc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)n1
365638553	ZINC000336554997	ref	7.18	-38.08	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@H]2CCCC[N@H+]2C[C@@H]1C
342596814	ZINC000590797540	ref	4.8	-10.3	0	270.398	1.702	1	3	4	CSCCNC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1
342596815	ZINC000590797562	ref	6.16	-10.25	0	269.308	1.486	1	5	3	Cc1nc(C(=O)N[C@H](C)c2cccc(C#N)c2)n(C)n1
365638556	ZINC000336554997	mid	7.73	-37.5	1	277.412	2.393	1	3	3	Cc1noc(C)c1CCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C
214187481	ZINC000293614957	ref	3.97	-28.34	0	357.388	0.709	0	6	5	COc1ccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-]
342600561	ZINC000616999782	mid	6.5	-40.43	1	278.4	1.579	3	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]cn2)C1
197594612	ZINC000162831520	ref	6.77	-39.42	1	316.367	3.356	2	1	8	CCCC[C@@H](C[NH3+])NC(=O)C[C@@H](c1ccccc1)C(F)(F)F
342600562	ZINC000616999782	mid	6.43	-41.87	1	278.4	1.579	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2cnc[nH]2)C1
365638560	ZINC000336554997	mid	7.65	-41.84	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@H+]1C[C@H]2CCCCN2C[C@@H]1C
365638562	ZINC000336554997	mid	7.21	-42.69	1	277.412	2.393	1	3	3	Cc1noc(C)c1CC[N@@H+]1C[C@H]2CCCCN2C[C@@H]1C
342600563	ZINC000616999782	mid	6.48	-42.18	1	278.4	1.579	3	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCc2cnc[nH]2)C1
365638567	ZINC000336554997	high	5.47	-5.39	0	277.412	2.393	0	4	3	Cc1noc(C)c1CCN1C[C@H]2CCCCN2C[C@@H]1C
342600564	ZINC000616999782	low	6.94	-81.31	2	278.4	1.579	3	1	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1
365638570	ZINC000336554439	ref	4.53	-13.21	0	273.361	2.111	1	4	2	C[C@H]1CSC[C@@H]1NC(=O)c1ccc2nccnc2c1
365638575	ZINC000336555029	ref	6.93	-37.39	1	276.428	2.059	1	3	3	Cc1cc(C)n(CCN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)n1
365638577	ZINC000336555029	mid	7.27	-36.29	1	276.428	2.059	1	3	3	Cc1cc(C)n(CCN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)n1
365638579	ZINC000336555029	high	5.03	-5.81	0	276.428	2.059	0	4	3	Cc1cc(C)n(CCN2C[C@@H]3CCCCN3C[C@@H]2C)n1
214187482	ZINC000053528035	ref	8.23	-15.37	0	339.321	3.174	2	4	3	O=C(Nc1n[nH]c(-c2ccccn2)n1)[C@H]1CCC[C@H](C(F)(F)F)C1
214187484	ZINC000053528035	mid	8.24	-14.19	0	339.321	3.174	2	4	3	O=C(Nc1nc(-c2ccccn2)n[nH]1)[C@H]1CCC[C@H](C(F)(F)F)C1
178303904	ZINC000237237915	ref	6.08	-56.39	1	370.413	1.839	1	6	4	Cc1c(C(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)nnn1-c1cccc([N+](=O)[O-])c1
178303906	ZINC000237241645	ref	9.31	-48.21	1	357.498	1.926	1	2	5	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)C1
365638558	ZINC000172923753	ref	9.2	-50.77	1	287.367	1.257	2	4	6	Cc1cc(C(=O)NCCC[NH+](C)C)ccc1-n1cncn1
365638566	ZINC000172922793	ref	4.63	-12.18	0	291.347	1.714	1	4	6	COCCCNC(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2
365638572	ZINC000172923007	ref	5.91	-14.88	0	296.317	1.661	1	2	4	C[C@H](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C(=O)N(C)C
365638576	ZINC000172918507	ref	4.66	-18.67	0	291.351	1.707	1	3	5	CCN(CC)C(=O)c1ccc(OC)c(N2CCNC2=O)c1
365638585	ZINC000172922924	ref	2.94	-8.88	0	259.737	1.631	1	4	6	CCn1nc(C)c(C(=O)NCCCOC)c1Cl
365638595	ZINC000565392388	ref	4.14	-13.2	0	279.296	1.164	2	5	3	C[C@]1(CO)CCCN1C(=O)c1cccc([N+](=O)[O-])c1N
365638601	ZINC000172916337	ref	2.18	-10.47	0	290.772	1.606	2	3	4	CC(C)(NS(C)(=O)=O)C(=O)Nc1ccccc1Cl
365638610	ZINC000172917934	ref	6.82	-15.53	0	292.404	1.906	1	3	6	C[C@@H](CNC(=O)CN1CCCC1=O)Sc1ccccc1
178303909	ZINC000237224994	ref	5.57	-42.37	1	358.236	1.325	1	3	5	C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(=O)c1ccc(Br)o1
178303910	ZINC000237235584	ref	3.37	-52.38	1	359.43	1.068	2	6	9	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@@H](C[NH3+])C3CC3)n2)cc1
214187486	ZINC000053528035	high	8.15	-54.57	-1	339.321	3.174	1	4	3	O=C(Nc1nnc(-c2ccccn2)[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1
214187489	ZINC000053528035	high	8.07	-55.59	-1	339.321	3.174	1	4	3	O=C(Nc1nc(-c2ccccn2)n[n-]1)[C@H]1CCC[C@H](C(F)(F)F)C1
214187490	ZINC000053528035	high	8.05	-55.58	-1	339.321	3.174	1	4	3	O=C(Nc1n[n-]c(-c2ccccn2)n1)[C@H]1CCC[C@H](C(F)(F)F)C1
214187493	ZINC000053519767	ref	12.06	-46.8	1	329.513	3.432	2	1	2	S=C(Nc1ccc2c(c1)CCC2)N1CCC([NH+]2CCCC2)CC1
199273115	ZINC000181265486	high	0.21	-40.92	-1	312.753	1.26	3	4	5	C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1ccc(Cl)cc1[O-]
365638618	ZINC000172922960	ref	3.6	-12.4	0	299.342	1.755	1	4	10	COCCCNC(=O)c1ccc(F)c(COCCOC)c1
178303911	ZINC000020085895	ref	7.08	-50.37	1	246.358	2.653	1	3	4	Cc1cc2ncc([C@H](C)[NH2+]CC(C)C)c(C)n2n1
178303912	ZINC000005926903	ref	3.61	-6.83	0	245.311	1.456	2	6	0	Cc1cc2nc3sc(=N)n(N)c3nc2cc1C
178303915	ZINC000051847895	ref	0.95	-44.92	1	219.288	1.56	3	2	2	Cc1cc2nc([C@H]([NH3+])[C@H](C)O)[nH]c2cc1C
185386267	ZINC000096749179	ref	4.16	-12.65	0	302.277	3.423	1	4	3	COc1ccccc1NC(=O)c1scnc1C(F)(F)F
178303917	ZINC000051847895	mid	0.66	-8.64	0	219.288	1.56	3	3	2	Cc1cc2nc([C@H](N)[C@H](C)O)[nH]c2cc1C
178303919	ZINC000062809043	ref	2.03	-14.91	0	246.27	0.163	1	5	1	Cc1cc2ncc(C(=O)N3CC(O)C3)c(C)n2n1
398245708	ZINC000649444065	ref	4.82	-8.05	0	217.272	1.937	0	4	3	COCc1cccc(-c2cnn(C)c2C)n1
398245714	ZINC000649444050	ref	4.92	-5.89	0	239.318	2.785	2	2	1	Nc1ccc(-c2ccc3c(c2)CC[C@H](O)C3)cc1
178303926	ZINC000020200200	ref	4.96	-13.61	0	243.314	1.91	1	5	4	Cc1cc2ncc([C@H](C)NCCC#N)c(C)n2n1
178303928	ZINC000020200200	low	6.15	-68.27	1	243.314	1.91	1	4	4	Cc1cc2ncc([C@H](C)[NH2+]CCC#N)c(C)n2n1
178303930	ZINC000019130125	ref	3.57	-63.57	0	244.298	0.963	1	3	0	Cc1cc2nc3c(c(=O)n2[n-]1)C[C@@H]1CC[C@H](C3)[NH2+]1
178303932	ZINC000019130125	low	3.7	-49.32	1	244.298	0.963	2	3	0	Cc1cc2nc3c(c(=O)n2[nH]1)C[C@@H]1CC[C@H](C3)[NH2+]1
178303934	ZINC000052272212	ref	7.25	-47.39	1	244.342	2.405	1	3	3	Cc1cc2ncc([C@H](C)[NH2+][C@@H]3C[C@@H]3C)c(C)n2n1
349535318	ZINC000602430954	mid	7.43	-48.67	1	220.32	1.792	1	3	6	C[C@@H](CCC#N)C[N@@H+](C)Cc1cnn(C)c1
178303936	ZINC000052272212	high	6.12	-7.4	0	244.342	2.405	1	4	3	Cc1cc2ncc([C@H](C)N[C@@H]3C[C@@H]3C)c(C)n2n1
398245717	ZINC000649444092	ref	7.9	-10.15	0	240.306	2.833	0	3	1	Cc1cc(-c2cnn(C)c2C)cc2c1C(=O)CC2
398245724	ZINC000649444081	ref	8.59	-6.23	0	214.312	3.348	0	2	3	CCCc1ccc(-c2cnn(C)c2C)cc1
178303942	ZINC000269117119	ref	0.85	-57.57	1	233.275	0.035	2	4	3	Cc1cc2ncc(C(=O)NCC[NH3+])c(C)n2n1
178303945	ZINC000070166166	ref	6.57	-50.98	1	232.331	2.172	1	3	4	Cc1cc2ncc(C[NH2+][C@@H](C)C(C)C)cn2n1
178303948	ZINC000037860477	ref	2.27	-10.64	0	248.286	0.41	1	5	3	Cc1cc2ncc(C(=O)N(C)CCO)c(C)n2n1
178303950	ZINC000020086300	ref	7.2	-51.36	1	244.342	2.407	1	3	4	Cc1cc2ncc([C@@H](C)[NH2+]CC3CC3)c(C)n2n1
178303952	ZINC000013824589	ref	3.02	-17.55	0	233.658	2.366	2	2	0	Cc1cc2[nH]c3nc(=O)[nH]c-3cc2cc1Cl
349535321	ZINC000602430954	high	5.38	-10.54	0	220.32	1.792	0	4	6	C[C@@H](CCC#N)CN(C)Cc1cnn(C)c1
192037981	ZINC000418430805	ref	4.18	-49.1	1	239.363	1.866	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CC=C(C)CC1
214187485	ZINC000293603347	ref	4.15	-50.6	1	370.471	0.936	2	5	8	C[C@@H](CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C[NH+](C)C
219048152	ZINC000097681000	high	4.23	-7.98	0	328.507	2.113	1	6	6	C[C@H]1C[C@@H](C)CN(C[C@@H](C)NC(=O)CSc2nncs2)C1
342596816	ZINC000590783058	ref	7.21	-13.08	0	283.339	1.438	0	7	2	Cn1cc([C@@H]2CCCN2c2ncnc3c2ncn3C)cn1
342596817	ZINC000590797656	ref	3.71	-14.55	0	256.375	1.013	2	4	6	CSCCNC(=O)N[C@H](C)Cc1cnn(C)c1
342596818	ZINC000590782605	ref	3.0	-19.19	0	286.349	1.661	0	5	5	CS(=O)(=O)CCCOc1ccc2c(c1)OCCCO2
342596819	ZINC000590784190	ref	8.46	-50.96	1	298.39	1.999	1	5	3	Cn1c(CN2CCc3ccc(O)cc3CC2)nnc1C1CC1
342596820	ZINC000590784190	mid	8.34	-47.84	1	298.39	1.999	2	4	3	Cn1c(C[N@@H+]2CCc3ccc(O)cc3CC2)nnc1C1CC1
342596821	ZINC000590784190	mid	8.46	-50.96	1	298.39	1.999	2	4	3	Cn1c(C[N@H+]2CCc3ccc(O)cc3CC2)nnc1C1CC1
342596822	ZINC000616980394	ref	4.22	-17.08	0	261.387	1.458	0	3	4	CC[C@H](C)N(CC)C(=O)C1CCS(=O)(=O)CC1
178303913	ZINC000237225307	ref	8.37	-58.97	-1	369.215	1.735	0	4	5	CN(CCC(=O)[O-])C(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1
178303914	ZINC000237227193	ref	0.33	-15.62	0	359.411	1.821	2	8	6	COc1ccccc1[C@@H](NC(=O)c1csc(CN)n1)c1noc(C)n1
178303916	ZINC000237227193	mid	0.72	-58.76	1	359.411	1.821	2	7	6	COc1ccccc1[C@@H](NC(=O)c1csc(C[NH3+])n1)c1noc(C)n1
219048155	ZINC000097682309	ref	2.48	-13.09	0	327.331	1.391	2	3	4	C[C@H](NC(N)=O)C(=O)N1CCC(Oc2ccc(F)cc2F)CC1
178303918	ZINC000237241592	ref	9.22	-50.41	1	373.497	1.762	1	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)C1
349535322	ZINC000594969708	high	6.81	-5.56	0	291.395	2.866	1	4	5	Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCN1C(C)(C)C
178303920	ZINC000237236011	ref	3.41	-53.81	1	373.457	1.458	2	6	8	COCCOc1ccc(-n2nc(C)c(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])n2)cc1
178303921	ZINC000237243739	ref	5.43	-33.7	1	374.304	1.839	2	3	5	C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)NC(=O)c1ccc(Br)s1
342596823	ZINC000590797660	ref	3.35	-10.9	0	260.403	1.854	2	3	5	CSCCNC(=O)NC[C@@H]1CCOC(C)(C)C1
342596824	ZINC000616980344	ref	7.69	-43.24	1	283.416	1.044	1	2	7	CC[C@@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1
229488921	ZINC000310075180	ref	7.83	-40.03	1	235.371	3.011	1	1	7	CCc1ccccc1C[NH2+]CC(C)(C)COC
342596825	ZINC000616980344	high	5.24	-11.12	0	283.416	1.044	0	3	7	CC[C@@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1
219048160	ZINC000097681097	ref	6.03	-13.68	0	343.876	2.703	1	3	6	CS(=O)(=O)CCC(=O)NCC1(c2ccc(Cl)cc2)CCCC1
342596826	ZINC000590797615	ref	2.39	-12.33	0	262.766	1.236	2	4	5	CSCCNC(=O)NCc1nn(C)cc1Cl
219048163	ZINC000097681208	ref	3.67	-17.37	0	334.397	2.075	1	5	3	Cc1ccoc1C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1
349535324	ZINC000636725610	ref	2.82	-10.01	0	226.32	1.796	2	2	3	CO[C@@H]1C[C@@H](NC(=O)NC2(C)CCCC2)C1
214187487	ZINC000293603347	high	1.97	-15.71	0	370.471	0.936	1	6	8	C[C@@H](CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)CN(C)C
342596827	ZINC000590783287	ref	6.0	-8.41	0	269.304	1.594	1	3	1	Cc1cc(C#N)cc(NC(=O)C(=O)N2CC=CCC2)c1
299072272	ZINC000567662750	ref	5.75	-42.9	1	294.439	2.086	2	2	6	CCNC(=O)C1(C[NH2+][C@H]2C[C@H]3C[C@@H](OC)C[C@H]3C2)CCC1
214187491	ZINC000293612489	ref	-2.75	-24.14	0	368.868	0.115	4	5	8	CNC(=O)NCCC(=O)NCCNS(=O)(=O)c1ccc(Cl)s1
214187494	ZINC000293612489	high	-3.12	-50.52	-1	368.868	0.115	3	5	8	CNC(=O)NCCC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1
214187497	ZINC000293608169	ref	2.0	-17.92	0	369.443	0.431	1	5	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1
219048167	ZINC000097682287	ref	2.62	-17.93	0	341.169	0.128	2	6	4	CC(C)(CNC(=O)c1nc2ncc(Br)cn2n1)C(N)=O
219048170	ZINC000097681798	ref	9.75	-60.63	-1	339.819	2.816	0	4	7	COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1
299072275	ZINC000567660076	ref	4.89	-14.09	0	283.326	2.425	1	5	6	CC(C)n1ccc(CNCc2cn(C)nc2C(F)F)n1
219048177	ZINC000097682311	ref	5.28	-10.95	0	347.415	2.675	1	4	3	C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)c1csc(-c2ccc(F)cc2)n1
210256220	ZINC000428350803	ref	3.65	-10.28	0	349.362	0.577	1	6	6	CCOC(=O)CNC(=O)[C@@H]1COCCN1Cc1cccc(F)c1C#N
210256226	ZINC000428366637	ref	1.63	-14.29	0	331.376	0.254	1	7	5	COc1cc(OC)c2ncnc(N3CCN(CC(N)=O)CC3)c2c1
214187501	ZINC000293604236	ref	2.54	-14.8	0	370.413	0.524	3	8	7	Cc1c(C(=O)N[C@H](CO)C[C@@H](O)c2ccccc2)nnn1-c1ccn(C)n1
299072277	ZINC000567660076	low	6.01	-43.44	1	283.326	2.425	1	4	6	CC(C)n1ccc(C[NH2+]Cc2cn(C)nc2C(F)F)n1
342596828	ZINC000590783884	ref	4.78	-17.82	0	292.358	1.763	1	4	6	CCNC(=O)CN(C)Cc1nc2c(F)cccc2n1CC
299072280	ZINC000567660168	ref	5.41	-12.77	0	264.373	2.275	1	4	3	CC(C)n1cc(N[C@H]2CCN(C(C)(C)C)C2=O)cn1
299072282	ZINC000567664035	ref	6.01	-41.76	1	260.381	2.253	2	1	6	[NH3+][C@@H](CC(=O)NCC1CCCC1)Cc1ccccc1
219048165	ZINC000350689743	ref	6.92	-8.82	0	282.428	2.432	1	2	6	CC(C)CCC(=O)NCC(=O)N1CC(C)(C)[C@@H]1C(C)C
214187499	ZINC000337632036	ref	0.23	-7.71	0	284.341	0.409	2	6	5	COCC1(CNC(=O)C(=O)Nc2cnns2)CCC1
214187502	ZINC000337632036	high	-0.88	-33.49	-1	284.341	0.409	1	6	5	COCC1(CNC(=O)C(=O)[N-]c2cnns2)CCC1
295666396	ZINC000457987741	ref	8.5	-10.49	0	314.429	3.348	1	2	4	O=C(NC[C@@H]1CCCO[C@H]1c1ccccc1)N1CC[C@@H]1C1CC1
214187511	ZINC000337628589	ref	7.8	-9.13	0	257.786	3.299	0	2	4	CCN(C)C(=O)[C@@H](C)Sc1ccc(Cl)cc1
178303923	ZINC000237236420	ref	3.98	-56.46	1	370.515	1.985	2	4	9	COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1
214187515	ZINC000337631883	ref	5.52	-8.08	0	290.26	3.123	2	1	4	C[C@@H](NC(=O)NC1(C(F)F)CC1)c1c(F)cccc1F
349535325	ZINC000594968885	ref	5.61	-50.19	1	275.483	2.55	1	2	3	C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CS1
342080432	ZINC000625323071	low	1.08	-49.01	1	293.754	1.962	2	4	6	COc1cncc(C[NH2+][C@H](CO)c2ccc(Cl)cc2)n1
349535329	ZINC000594969809	ref	9.1	-47.31	1	253.349	2.922	1	2	4	Cn1cccc1C[NH2+]C(C)(C)c1cccc(C#N)c1
190494054	ZINC000269431823	ref	5.12	-10.9	0	268.363	2.865	1	5	2	O=C(Nc1nc2ccsc2s1)[C@H]1CCCCO1
178303925	ZINC000237236420	high	4.16	-11.09	0	370.515	1.985	2	5	9	COc1ccc(S(=O)(=O)C[C@@H](C)C(=O)N[C@](C)(CN)CC(C)C)cc1
178303927	ZINC000237231790	ref	4.5	-44.19	1	357.857	1.796	2	3	8	COCC[NH2+]CC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1
178303929	ZINC000237231790	low	7.13	-99.53	2	357.857	1.796	3	2	8	COCC[NH2+]CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1
432002751	ZINC000062149475	ref	8.99	-13.19	0	317.36	3.439	0	3	6	COc1ccc(N(C)C(=O)CCc2ccc(F)cc2)cc1OC
190494055	ZINC000269435592	ref	3.05	-6.96	0	272.295	2.493	3	2	3	CC(C)(C)[C@H](CO)NC(=O)Nc1cccc(F)c1F
432002754	ZINC000061914726	ref	7.04	-42.1	1	309.479	3.202	3	2	7	C[N@H+](CCCNC(=O)NCc1ccsc1)C1CCCCC1
214187523	ZINC000337629207	ref	1.65	-10.55	0	263.301	0.173	2	7	4	Cn1ncc2c(NC[C@@H](O)[C@@H]3CCOC3)ncnc21
214187526	ZINC000337629207	low	2.04	-41.32	1	263.301	0.173	2	6	4	Cn1ncc2c(NC[C@@H](O)[C@@H]3CCOC3)[nH+]cnc21
295666401	ZINC000194074862	ref	6.95	-17.09	0	312.373	2.766	2	4	4	O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)Nc1ccncn1
214187532	ZINC000337630346	ref	7.61	-8.44	0	272.348	3.243	1	3	2	CC[C@H]1CCC[C@@H](n2c(=O)[nH]c3ccccc3c2=O)C1
133428536	ZINC000306454285	ref	0.73	-6.33	0	169.224	0.594	2	2	3	C=C(C)CNC(=O)C1(O)CCC1
214187500	ZINC000053527665	ref	8.55	-41.53	1	331.46	3.028	2	2	5	COc1ccc([C@@H](CNC(=O)N2CCCC2)[NH+]2CCCCC2)cc1
398245709	ZINC000651431331	ref	5.68	-27.79	1	284.403	3.388	1	2	3	Cc1cc(N2CCC([C@H](C)CO)CC2)c2ccccc2[nH+]1
192037963	ZINC000273085011	low	5.43	-37.64	1	266.736	1.49	2	5	5	Cn1cc(CCCNc2[nH+]cnc(N)c2Cl)cn1
398245712	ZINC000651431331	high	5.3	-8.02	0	284.403	3.388	1	3	3	Cc1cc(N2CCC([C@H](C)CO)CC2)c2ccccc2n1
398245715	ZINC000651431198	ref	7.79	-9.79	0	297.826	3.453	1	2	6	CCCN(CC(C)(C)O)C(=O)[C@H](C)c1ccc(Cl)cc1
197594629	ZINC000290098730	ref	6.08	-38.75	1	290.407	1.953	2	2	7	CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCOCc1ccccc1
197594630	ZINC000290098744	ref	4.52	-45.32	1	284.306	2.3	2	2	4	CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cc(F)c(OC)cc1F
398245718	ZINC000651435058	ref	5.02	-8.13	0	250.323	3.199	0	5	6	C=CCCOCc1nc(-c2ccc(C)s2)no1
214187503	ZINC000053527665	mid	6.73	-10.63	0	331.46	3.028	1	3	5	COc1ccc([C@@H](CNC(=O)N2CCCC2)N2CCCCC2)cc1
214187505	ZINC000053543899	ref	5.74	-17.13	0	347.362	1.929	1	4	4	CNC(=O)[C@@H]1CCCN1C(=O)CSc1ccc(C(F)(F)F)cn1
214187509	ZINC000053527578	ref	8.67	-17.45	0	347.382	3.089	2	6	4	CC1=NN(c2ccc(C(=O)Nc3n[nH]c(-c4ccccn4)n3)cc2)CC1
342080433	ZINC000625322871	ref	3.68	-11.64	0	252.314	1.654	1	3	5	COc1cccc([C@@H](CNC(=O)N(C)C)OC)c1
282123120	ZINC000533472423	ref	3.7	-9.65	0	275.348	1.95	1	3	2	C[C@H](O)[C@H]1CCCN(C(=O)c2ccc3c(c2)COC3)C1
282123122	ZINC000533472517	ref	3.48	-16.91	0	265.313	1.173	1	5	6	CCc1ncc(NC(=O)COC[C@@H]2CCCO2)cn1
342080434	ZINC000625310762	ref	6.94	-41.79	1	276.327	1.353	1	2	5	C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)COCC(F)F
342080435	ZINC000625310762	mid	6.45	-43.64	1	276.327	1.353	1	2	5	C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)COCC(F)F
342080436	ZINC000625310762	high	6.31	-16.5	0	276.327	1.353	0	3	5	CN1CCC[C@H]1[C@H]1CCCN1C(=O)COCC(F)F
342080437	ZINC000625323160	ref	4.04	-40.17	1	289.383	1.289	3	4	5	C=C(C)C[NH+]1CCC(NC(=O)c2cnc(NC)cn2)CC1
342080438	ZINC000625323160	high	1.62	-8.02	0	289.383	1.289	2	5	5	C=C(C)CN1CCC(NC(=O)c2cnc(NC)cn2)CC1
342080439	ZINC000625310812	ref	5.89	-41.03	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)C(C)C
342080440	ZINC000625310812	mid	6.52	-40.03	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)C(C)C
282123123	ZINC000533473195	ref	4.31	-12.94	0	279.365	1.655	1	4	4	CCc1ncsc1NC(=O)[C@@H]1CC(=O)N(C2CC2)C1
290622765	ZINC000492522255	high	6.29	-6.81	0	288.391	2.348	1	3	4	CN(C)C[C@H]1CCCCN1C(=O)/C=C\c1ccc(O)cc1
343994086	ZINC000139409469	ref	2.85	-6.85	0	170.256	0.953	1	2	3	CCC(CC)N1C(=O)CN[C@H]1C
178303931	ZINC000237231790	low	6.61	-100.31	2	357.857	1.796	3	2	8	COCC[NH2+]CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1
219048180	ZINC000350684349	ref	6.88	-10.84	0	289.375	2.268	1	3	4	COc1cccc2c1[C@@H](C(=O)NC[C@@H]1CCCOC1)CC2
178303933	ZINC000237231790	high	3.16	-11.93	0	357.857	1.796	2	4	8	COCCNCC(=O)N[C@H]1CCCN(Cc2ccc(F)cc2Cl)C1
214187504	ZINC000293607016	ref	5.15	-47.88	1	360.458	0.17	3	3	8	C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)C(N)=O
214187507	ZINC000293607016	high	2.68	-16.64	0	360.458	0.17	2	4	8	C[C@H](c1ccccc1)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(N)=O
214187508	ZINC000293607785	ref	2.85	-21.34	0	358.442	0.81	2	4	4	CC(=O)N1CCN(CCNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1
219048183	ZINC000350695966	ref	6.73	-15.79	0	299.277	2.13	1	4	3	COC(=O)c1ccnc(NC(=O)N2CCC[C@H]2C(F)F)c1
219048185	ZINC000350696422	ref	8.55	-10.82	0	287.425	2.176	0	4	6	COC(=O)CSCCC(=O)N1CC(C)(C)[C@@H]1C(C)C
214187510	ZINC000293607785	low	5.06	-65.09	1	358.442	0.81	3	3	4	CC(=O)N1CC[NH+](CCNC(=O)c2ccc3c(c2)NC(=O)C3(C)C)CC1
178303935	ZINC000237230469	ref	6.59	-46.26	-1	359.47	1.735	1	5	5	CN1CCN([C@H](C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2)CC1
219048187	ZINC000350683432	ref	2.84	-15.39	0	269.304	2.437	2	3	4	Cc1nc2ccc(C(=O)NCCc3ccc[nH]3)cc2o1
178303937	ZINC000237230469	mid	8.94	-64.25	0	359.47	1.735	2	4	5	C[NH+]1CCN([C@H](C(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc2)CC1
178303939	ZINC000237231357	ref	5.83	-56.18	1	357.414	1.479	2	6	5	COC(=O)Cc1cccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1
219048190	ZINC000350688125	ref	7.6	-13.61	0	289.335	2.132	1	4	3	COC(=O)c1ccnc(NC(=O)N2CC(C3CCC3)C2)c1
192037983	ZINC000418463554	ref	4.19	-53.89	1	239.363	1.696	2	1	2	C[C@H]1CC[C@@H](C)N1C(=O)N[C@@H]1CCC[C@H]1C[NH3+]
219048191	ZINC000350684839	ref	4.2	-14.09	0	279.384	2.337	2	4	4	Cc1c(NC(=O)C2CCC(O)CC2)cnn1CC(C)C
346818832	ZINC000601317133	ref	6.72	-12.43	0	283.375	2.418	0	3	2	N#C[C@H]1CCC[C@H](N2CCN(c3ccccc3)C(=O)C2)C1
365638565	ZINC000123541929	ref	6.89	-8.64	0	291.391	2.374	0	4	3	COC(=O)[C@@H]1CN(Cc2c(C)cc(C)cc2C)C[C@@H](C)O1
365638584	ZINC000123541929	mid	9.46	-42.7	1	291.391	2.374	1	3	3	COC(=O)[C@@H]1C[N@H+](Cc2c(C)cc(C)cc2C)C[C@@H](C)O1
365638590	ZINC000123541929	mid	9.34	-38.6	1	291.391	2.374	1	3	3	COC(=O)[C@@H]1C[N@@H+](Cc2c(C)cc(C)cc2C)C[C@@H](C)O1
365638596	ZINC000123555436	ref	5.6	-10.66	0	299.436	2.116	1	4	3	O=C(C[C@@H]1CCCCO1)N[C@@H]1CCO[C@]2(CCSC2)C1
365638607	ZINC000123439409	ref	3.98	-23.7	0	273.155	2.255	0	3	4	N#CCCC[S@](=O)c1ccc(Br)cn1
365638620	ZINC000123538133	ref	8.85	-46.56	1	276.428	2.484	1	3	8	C[NH+](C)CCCC1CCN(C[C@@H](C#N)CCC#N)CC1
365638625	ZINC000123538133	mid	10.87	-105.09	2	276.428	2.484	2	2	8	C[NH+](C)CCCC1CC[NH+](C[C@@H](C#N)CCC#N)CC1
365638630	ZINC000123422434	ref	4.66	-14.51	0	270.716	2.414	2	3	2	CONC(=O)N[C@H]1CCCOc2cc(Cl)ccc21
365638642	ZINC000123454741	ref	5.4	-39.19	1	283.803	2.018	2	3	4	CC[C@](C)(O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1
365638649	ZINC000123454741	high	3.47	-4.72	0	283.803	2.018	1	4	4	CC[C@](C)(O)CN1CCN(c2ccc(Cl)cn2)CC1
365638653	ZINC000123510291	ref	4.01	-9.17	0	267.35	2.064	1	4	2	O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccco1
365638659	ZINC000123487084	ref	6.98	-14.07	0	290.175	2.43	0	4	3	Cn1cnnc1C[S@@](=O)c1ccc(Cl)c(Cl)c1
365638667	ZINC000123442282	ref	6.96	-28.1	0	283.784	2.226	0	4	4	Cc1nnc(C[S@](=O)Cc2cccc(Cl)c2)n1C
365638677	ZINC000123466331	ref	6.27	-7.03	0	257.399	2.058	1	3	4	CS[C@H](C)CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
365638684	ZINC000123482660	ref	6.13	-43.33	1	261.431	2.322	1	2	6	CC(C)C[C@H]1CCCC[N@@H+]1CCCS(C)(=O)=O
197594631	ZINC000162828766	ref	5.24	-9.36	0	310.448	2.682	1	5	6	CCN(CCc1nccs1)C(=O)NCc1cnc(C)s1
365638691	ZINC000123482660	mid	5.79	-43.78	1	261.431	2.322	1	2	6	CC(C)C[C@H]1CCCC[N@H+]1CCCS(C)(=O)=O
342080441	ZINC000625310812	high	3.19	-7.09	0	295.427	1.232	1	3	4	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C)C(C)C
365638694	ZINC000123482660	high	3.57	-11.87	0	261.431	2.322	0	3	6	CC(C)C[C@H]1CCCCN1CCCS(C)(=O)=O
365638697	ZINC000123521016	ref	8.98	-34.91	1	250.386	2.287	1	1	5	C=C(C)CN(CC)C(=O)C[N@@H+]1CCC2(CCC2)C1
342080442	ZINC000625310808	ref	6.34	-38.55	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)C(C)C
342080443	ZINC000625310808	mid	5.76	-39.92	1	295.427	1.232	2	2	4	CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)C(C)C
342080444	ZINC000625310808	high	3.77	-6.8	0	295.427	1.232	1	3	4	CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)C(C)C
299072273	ZINC000358087174	mid	7.73	-13.15	0	319.796	1.802	1	5	4	C[C@@H](N[C@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
219048174	ZINC000286548457	ref	5.61	-16.88	0	320.418	2.917	1	5	4	Cc1noc([C@@H]2CCCN2C(=O)N[C@H](C)Cc2cccs2)n1
219048176	ZINC000286546873	ref	7.5	-10.78	0	321.812	2.665	2	4	5	CC(C)[C@H](NC(=O)NCc1ccc(Cl)cc1)c1nncn1C
178303941	ZINC000237229403	ref	4.21	-57.15	1	352.482	1.791	2	3	6	CN1CCN([C@@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)c2ccccc2)CC1
178303943	ZINC000237229403	mid	6.58	-106.39	2	352.482	1.791	3	2	6	C[NH+]1CCN([C@@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)c2ccccc2)CC1
178303944	ZINC000237229403	high	3.77	-8.12	0	352.482	1.791	2	4	6	CN1CCN([C@@H](C(=O)NC[C@@H](N)c2ccccc2)c2ccccc2)CC1
349535327	ZINC000602430916	ref	1.15	-42.83	1	246.376	0.403	2	2	5	CCCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1
219048179	ZINC000286546712	ref	9.95	-13.69	0	301.398	1.811	1	7	5	C[C@H](CNc1cc(N2CCCCC2)ncn1)c1nncn1C
178303946	ZINC000237225639	ref	9.78	-65.26	-1	356.378	1.78	0	5	5	CN(CCC(=O)[O-])C(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1
349535332	ZINC000602430147	ref	9.92	-53.66	1	247.346	1.682	1	4	6	C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1Cn1cncn1
282123125	ZINC000533472512	ref	3.89	-13.48	0	278.352	1.468	1	4	4	C[C@H](Oc1cccnc1)C(=O)N1CCC[C@H]([C@@H](C)O)C1
178303947	ZINC000237235812	ref	1.12	-46.87	1	352.334	1.537	2	4	4	COc1ccc(S(=O)(=O)C(F)(F)F)cc1NC(=O)[C@@H]1CC[NH2+]C1
178303949	ZINC000237229065	ref	4.42	-41.18	1	354.882	1.687	3	4	6	COc1cc(N)c(Cl)cc1C(=O)NCCN1CCC([NH+](C)C)CC1
282123127	ZINC000533472179	ref	4.54	-9.83	0	262.353	1.634	1	3	4	C[C@H](O)[C@@H]1CCCN(C(=O)CCc2ccncc2)C1
178303951	ZINC000237229065	low	6.83	-107.24	2	354.882	1.687	4	3	6	COc1cc(N)c(Cl)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1
178303953	ZINC000237224976	ref	5.22	-49.84	1	360.376	1.903	2	3	6	CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)C1CC[NH2+]CC1
282123128	ZINC000533472463	ref	1.98	-6.37	0	291.273	1.625	1	5	3	COc1cc(N2CCC([C@H](O)C(F)(F)F)CC2)ncn1
190494061	ZINC000269434786	ref	2.81	-18.65	0	254.286	-0.181	1	4	3	COC(=O)C[C@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1
342080445	ZINC000625327198	ref	3.48	-15.85	0	297.376	1.712	1	4	6	C=CCCS(=O)(=O)NC[C@@]1(C)COc2ccccc2O1
342080446	ZINC000625311314	ref	6.42	-11.4	0	276.262	1.818	1	4	5	C[C@H](CC(=O)NCc1nncn1C1CC1)C(F)(F)F
349535335	ZINC000602430147	mid	10.24	-46.48	1	247.346	1.682	1	4	6	C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1Cn1cncn1
219048182	ZINC000286546712	low	10.42	-39.49	1	301.398	1.811	1	6	5	C[C@H](CNc1cc(N2CCCCC2)nc[nH+]1)c1nncn1C
178303954	ZINC000013824589	mid	1.84	-54.79	-1	233.658	2.366	1	2	0	Cc1cc2[nH]c3nc(=O)[n-]c-3cc2cc1Cl
178303955	ZINC000070166167	ref	6.44	-51.45	1	232.331	2.172	1	3	4	Cc1cc2ncc(C[NH2+][C@H](C)C(C)C)cn2n1
219048184	ZINC000286546712	low	10.3	-36.02	1	301.398	1.811	1	6	5	C[C@H](CNc1cc(N2CCCCC2)[nH+]cn1)c1nncn1C
398245713	ZINC000349566236	ref	2.32	-48.24	1	241.306	2.172	3	2	7	CC[C@@H](O)CCC[NH2+]Cc1cc(O)cc(F)c1
398245719	ZINC000349566236	high	3.09	-59.38	0	241.306	2.172	2	2	7	CC[C@@H](O)CCC[NH2+]Cc1cc([O-])cc(F)c1
214187512	ZINC000053527578	mid	8.66	-15.16	0	347.382	3.089	2	6	4	CC1=NN(c2ccc(C(=O)Nc3nc(-c4ccccn4)n[nH]3)cc2)CC1
299072274	ZINC000354603482	ref	-3.19	-16.58	0	337.357	0.352	3	6	6	NS(=O)(=O)c1ccc(C(=O)Nc2ccc(OCCO)cc2)nc1
214187514	ZINC000053527578	high	8.6	-60.18	-1	347.382	3.089	1	6	4	CC1=NN(c2ccc(C(=O)Nc3nnc(-c4ccccn4)[n-]3)cc2)CC1
219048186	ZINC000286547078	ref	7.92	-12.11	0	319.445	2.957	1	3	11	CCOC1CC(C(=O)NCCCCOCCc2ccccc2)C1
219048188	ZINC000286546154	ref	6.07	-17.38	0	319.38	1.629	1	2	3	C[C@@H](Cc1cccc(F)c1)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C
299072279	ZINC000354602101	ref	1.72	-20.57	0	338.165	0.439	1	5	2	NC(=O)[C@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1
398245722	ZINC000349466940	ref	1.05	-8.94	0	228.214	0.963	2	2	5	CN(CCCCO)C(=O)NCC(F)(F)F
219048192	ZINC000286548222	ref	4.71	-22.34	0	318.398	1.512	1	4	4	N#Cc1cccc(/C=C/C(=O)NC[C@H]2CCCS(=O)(=O)C2)c1
342080447	ZINC000625323145	ref	2.9	-12.07	0	299.392	1.878	1	4	9	C=CCCS(=O)(=O)NC[C@@H](OC)c1cccc(OC)c1
178303958	ZINC000006787763	ref	6.95	-7.17	0	232.287	1.183	0	5	1	Cc1cc2ncc(N3CCOCC3)n2c(C)n1
178303959	ZINC000006787763	mid	7.44	-28.6	1	232.287	1.183	0	4	1	Cc1cc2[nH+]cc(N3CCOCC3)n2c(C)n1
219048196	ZINC000286547836	ref	8.29	-20.04	0	320.437	2.084	0	4	5	CC(C)N(CC(=O)N1CCCCCC1)C(=O)[C@H](C)n1cccn1
342080448	ZINC000625322893	ref	2.54	-40.54	1	273.174	1.951	2	2	5	C[C@H]([NH2+]Cc1ccncc1Br)[C@@H](C)CO
342080449	ZINC000625322893	high	1.31	-5.46	0	273.174	1.951	2	3	5	C[C@H](NCc1ccncc1Br)[C@@H](C)CO
342080450	ZINC000625322602	ref	2.98	-13.18	0	299.392	1.712	1	4	8	COc1cccc([C@H](CNS(=O)(=O)CC2CC2)OC)c1
342080451	ZINC000625310989	ref	5.5	-10.36	0	288.355	1.303	1	6	5	COC1(C)CN(c2nnc(-c3cn[nH]c3)n2CC2CC2)C1
306234461	ZINC000557853550	high	5.95	-14.51	0	348.472	1.821	0	5	3	C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
342596829	ZINC000590784073	ref	5.09	-13.32	0	258.325	1.121	2	4	2	Cn1cnnc1C[N@@H+]1CCc2ccc(O)cc2CC1
365638568	ZINC000617442373	mid	6.49	-44.7	1	263.345	0.884	2	4	5	CC[N@@H+](CC(=O)N[C@H]1C[C@H](C)n2ncnc21)C1CC1
365638571	ZINC000617442373	mid	4.17	-17.48	0	263.345	0.884	1	5	5	CCN(CC(=O)N[C@H]1C[C@H](C)n2ncnc21)C1CC1
365638574	ZINC000617442474	ref	5.09	-27.16	0	283.295	0.985	2	6	2	C[C@@H]1C[C@H](NC(=O)c2ccnc3[nH]cnc23)c2ncnn21
365638578	ZINC000617442371	ref	4.16	-16.89	0	263.345	0.884	2	4	5	CC[N@H+](CC(=O)N[C@H]1C[C@@H](C)n2ncnc21)C1CC1
365638580	ZINC000617442371	mid	6.48	-43.53	1	263.345	0.884	2	4	5	CC[N@@H+](CC(=O)N[C@H]1C[C@@H](C)n2ncnc21)C1CC1
365638582	ZINC000617442371	mid	4.16	-16.89	0	263.345	0.884	1	5	5	CCN(CC(=O)N[C@H]1C[C@@H](C)n2ncnc21)C1CC1
365638588	ZINC000617442052	ref	2.2	-16.37	0	279.344	0.121	1	6	3	CCN1CCOC[C@@H]1C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365638593	ZINC000617440276	ref	4.16	-26.22	0	290.331	0.21	1	8	4	CC(C)c1nnnn1CC(=O)N[C@@H]1C[C@H](C)n2ncnc21
365638598	ZINC000617441428	ref	3.76	-17.17	0	252.318	0.807	2	5	4	CC[C@H](C)[C@H](O)C(=O)N[C@@H]1C[C@H](C)n2ncnc21
365638604	ZINC000617440933	ref	4.03	-15.0	0	250.302	0.969	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@]2(C)CCCO2)c2ncnn21
365638608	ZINC000617442372	ref	4.17	-17.19	0	263.345	0.884	2	4	5	CC[N@H+](CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)C1CC1
299072276	ZINC000358088311	ref	5.51	-11.99	0	313.405	1.9	1	5	4	Cc1nn(C)cc1CNC(=O)c1ccnc(N2CC[C@H](C)C2)c1
365638613	ZINC000617442372	mid	6.49	-43.8	1	263.345	0.884	2	4	5	CC[N@@H+](CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)C1CC1
365638616	ZINC000617442372	mid	4.17	-17.19	0	263.345	0.884	1	5	5	CCN(CC(=O)N[C@@H]1C[C@@H](C)n2ncnc21)C1CC1
342596830	ZINC000590784073	mid	7.05	-49.06	1	258.325	1.121	2	4	2	Cn1cnnc1C[N@H+]1CCc2ccc(O)cc2CC1
192037985	ZINC000418461573	ref	-0.16	-49.65	1	245.367	0.678	4	2	6	C[C@H](C[NH3+])CNC(=O)N[C@H](CO)CC(C)(C)C
365638622	ZINC000617441627	ref	4.67	-24.36	0	273.296	0.711	2	5	2	Cc1c[nH]cc(C(=O)N[C@H]2C[C@@H](C)n3ncnc32)c1=O
342596831	ZINC000590784073	mid	5.09	-13.32	0	258.325	1.121	1	5	2	Cn1cnnc1CN1CCc2ccc(O)cc2CC1
342596832	ZINC000590797628	ref	1.31	-10.51	0	257.359	1.789	2	4	7	CCCc1ncc(CNC(=O)NCCSC)o1
342596833	ZINC000590784132	ref	3.71	-14.66	0	285.413	1.382	0	5	5	Cn1cncc1[C@H]1CCCCN1CCCS(C)(=O)=O
342596834	ZINC000590784132	low	4.23	-42.12	1	285.413	1.382	0	4	5	Cn1c[nH+]cc1[C@H]1CCCCN1CCCS(C)(=O)=O
342596835	ZINC000590797607	ref	3.66	-12.04	0	256.375	1.626	2	4	6	CCn1cc([C@H](C)NC(=O)NCCSC)cn1
342596836	ZINC000590783034	ref	5.54	-10.41	0	285.347	1.78	2	3	3	C[C@@H](C#N)CNC(=O)C(=O)Nc1ccc2c(c1)CCCC2
214187513	ZINC000293605945	ref	-0.24	-14.33	0	361.416	0.297	2	7	11	CCOC(=O)c1cc(COC)cc(S(=O)(=O)NCCOCCO)c1
214187517	ZINC000293612933	ref	0.79	-23.21	0	352.416	0.946	0	6	3	Cc1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c2c(C)noc2n1
214187522	ZINC000293609596	ref	2.75	-15.53	0	352.431	0.467	2	6	7	COCC1(CNC(=O)[C@@](C)(O)Cn2c(C)cccc2=O)CCOCC1
214187524	ZINC000293613276	ref	5.06	-21.09	0	374.489	0.813	2	6	8	Cc1c(CC(=O)NC[C@H](NC(=O)Cc2cnn(C)c2C)C(C)C)cnn1C
214187527	ZINC000293615577	ref	2.64	-12.23	0	357.414	0.932	3	6	5	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccnn1Cc1ccccn1
214187530	ZINC000293605286	ref	1.68	-16.95	0	369.439	0.993	1	6	4	C[C@H]1C[C@@H](O)CCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2
349535328	ZINC000621243607	low	5.51	-33.15	1	273.34	2.047	3	3	3	C[C@@H]1CCCC[C@@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
342596837	ZINC000590784377	ref	6.95	-50.58	1	272.352	1.43	2	4	2	Cc1nnc(C[N@@H+]2CCc3ccc(O)cc3CC2)n1C
197594653	ZINC000290099986	ref	5.1	-49.14	1	276.384	1.434	2	2	3	CCc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)[nH]n1
349535330	ZINC000621243702	ref	3.29	-12.86	0	285.347	2.303	3	2	5	CC[C@@H](NC(=O)c1ccc(C(N)=O)[nH]1)c1ccc(C)cc1
197594654	ZINC000290099986	mid	5.3	-48.03	1	276.384	1.434	2	2	3	CCc1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)n[nH]1
214187535	ZINC000293613284	ref	5.07	-22.71	0	374.489	0.813	2	6	8	Cc1c(CC(=O)NC[C@@H](NC(=O)Cc2cnn(C)c2C)C(C)C)cnn1C
342596838	ZINC000590784377	mid	6.84	-49.09	1	272.352	1.43	2	4	2	Cc1nnc(C[N@H+]2CCc3ccc(O)cc3CC2)n1C
349535333	ZINC000621243452	ref	3.99	-10.85	0	291.326	2.008	1	5	4	OC[C@@H]1CCCN(c2noc(Cc3ccc(F)cc3)n2)C1
342596839	ZINC000590784377	mid	4.88	-13.7	0	272.352	1.43	1	5	2	Cc1nnc(CN2CCc3ccc(O)cc3CC2)n1C
342596840	ZINC000590782717	ref	5.83	-11.36	0	285.347	1.996	2	3	4	C[C@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCC1
349535338	ZINC000621242009	ref	5.92	-50.95	-1	297.326	2.341	1	4	7	COc1ccc(F)c(CNC(=O)CC(C)(C)CC(=O)[O-])c1
342596841	ZINC000590783669	ref	1.78	-13.97	0	263.403	1.312	1	3	8	COCC[N@H+](CCCS(C)(=O)=O)C1CCCC1
178303960	ZINC000005419715	ref	3.18	-15.86	0	225.251	2.379	2	3	0	Cc1cc2nc3ccc(=O)cc-3[nH]c2cc1N
219048194	ZINC000350695005	ref	9.49	-7.66	0	282.391	3.472	0	4	3	Cc1cc(N2CCC[C@H]2C(C)C)nc(-c2ccncc2)n1
365638583	ZINC000336554793	ref	9.11	-87.83	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1
365638586	ZINC000336554793	mid	9.03	-89.48	2	266.429	2.077	2	1	3	C[NH+]1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1
214187516	ZINC000053527578	high	8.5	-61.12	-1	347.382	3.089	1	6	4	CC1=NN(c2ccc(C(=O)Nc3nc(-c4ccccn4)n[n-]3)cc2)CC1
365638589	ZINC000336554793	high	6.72	-37.51	1	266.429	2.077	1	2	3	CN1CCC([C@@H]2CC[N@H+](C[C@@H]3CCCOC3)C2)CC1
219048195	ZINC000350695005	low	9.83	-28.3	1	282.391	3.472	0	3	3	Cc1cc(N2CCC[C@H]2C(C)C)nc(-c2ccncc2)[nH+]1
365638592	ZINC000336554793	high	6.66	-38.36	1	266.429	2.077	1	2	3	CN1CCC([C@@H]2CC[N@@H+](C[C@@H]3CCCOC3)C2)CC1
365638597	ZINC000336555076	ref	6.84	-39.19	1	250.342	2.232	1	3	3	Cc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)no1
365638600	ZINC000336555076	mid	6.56	-39.52	1	250.342	2.232	1	3	3	Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)no1
230744927	ZINC000414377675	ref	7.32	-9.23	0	305.374	3.432	1	2	4	Cc1c(F)cccc1NS(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
219048197	ZINC000350684892	ref	9.98	-49.23	1	294.399	3.082	1	4	8	CC(C)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1
219048199	ZINC000350684892	mid	10.02	-48.53	1	294.399	3.082	1	4	8	CC(C)CC[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1
214187518	ZINC000053527578	high	8.5	-61.17	-1	347.382	3.089	1	6	4	CC1=NN(c2ccc(C(=O)Nc3n[n-]c(-c4ccccn4)n3)cc2)CC1
230744930	ZINC000414374755	ref	7.29	-11.11	0	321.446	3.394	1	4	4	CC=CC[C@@H]1NC(=O)N(c2nc(CC)c(C(C)(C)C)s2)C1=O
178303961	ZINC000035205006	ref	1.1	-11.08	0	248.286	0.457	2	5	3	Cc1cc2ncc(C(=O)N[C@H](C)CO)c(C)n2n1
178303962	ZINC000044712916	ref	3.87	-6.6	0	211.062	2.634	1	1	0	Cc1cc2ncc(Br)cc2[nH]1
214187520	ZINC000053553120	ref	7.91	-19.81	0	331.715	3.272	1	5	4	CNC(=O)c1ccc(Oc2ccc(C#N)cc2Cl)c([N+](=O)[O-])c1
365638603	ZINC000336555076	mid	4.41	-7.29	0	250.342	2.232	0	4	3	Cc1cc(CN2CCC[C@H]([C@@H]3CCOC3)C2)no1
365638606	ZINC000336554535	ref	6.9	-9.95	0	264.275	2.247	1	2	3	N#Cc1cccc(F)c1CC(=O)N[C@@H]1CCC[C@@H]1F
365638611	ZINC000336555022	ref	7.69	-34.74	1	279.405	2.192	1	3	3	c1ccc([C@H]2CSCC[N@H+]2C[C@@H]2COCCO2)cc1
365638614	ZINC000336555022	mid	7.82	-34.55	1	279.405	2.192	1	3	3	c1ccc([C@H]2CSCC[N@@H+]2C[C@@H]2COCCO2)cc1
349535331	ZINC000594969809	high	8.03	-6.52	0	253.349	2.922	1	3	4	Cn1cccc1CNC(C)(C)c1cccc(C#N)c1
349535334	ZINC000594968554	ref	8.18	-47.8	1	267.442	2.938	1	3	10	C=CCCSCC[NH2+]Cc1ccnn1CC(C)C
214187525	ZINC000053533444	ref	7.64	-14.79	0	349.406	2.535	1	3	5	C[C@H]1C(=O)N(CC(=O)NCCC(C)(C)C)C(=O)N1c1ccc(F)cc1
219048198	ZINC000286546879	ref	7.18	-9.89	0	316.405	2.35	0	6	6	CCn1ncnc1CN1CCC[C@H](Oc2ccccc2OC)C1
178303963	ZINC000051848067	ref	0.76	-56.21	1	219.288	1.562	3	2	3	Cc1cc2nc([C@@H]([NH3+])CCO)[nH]c2cc1C
178303964	ZINC000051848067	mid	0.45	-9.94	0	219.288	1.562	3	3	3	Cc1cc2nc([C@@H](N)CCO)[nH]c2cc1C
219048200	ZINC000286546879	low	9.8	-44.85	1	316.405	2.35	1	5	6	CCn1ncnc1C[N@@H+]1CCC[C@H](Oc2ccccc2OC)C1
178303965	ZINC000020085896	ref	7.08	-50.2	1	246.358	2.653	1	3	4	Cc1cc2ncc([C@@H](C)[NH2+]CC(C)C)c(C)n2n1
190494068	ZINC000269433897	ref	7.02	-17.33	0	292.354	2.257	1	2	8	C=CC(=O)NCCC(=O)N(CCC)Cc1ccc(F)cc1
299072281	ZINC000354603503	ref	-0.3	-19.59	0	342.446	0.875	3	4	4	NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cc3[nH]ccc3s2)C1
190494069	ZINC000269432068	ref	6.66	-10.32	0	295.398	3.436	2	2	6	CC(C)CC(C)(C)C(=O)N[C@@H](C)[C@@H](O)c1cccc(F)c1
349535336	ZINC000594968554	high	7.38	-4.83	0	267.442	2.938	1	4	10	C=CCCSCCNCc1ccnn1CC(C)C
219048202	ZINC000286546879	low	9.79	-43.89	1	316.405	2.35	1	5	6	CCn1ncnc1C[N@H+]1CCC[C@H](Oc2ccccc2OC)C1
219048204	ZINC000286547713	ref	3.23	-14.62	0	320.414	2.702	2	5	7	Cc1nc(CC(=O)Nc2ccc(OCCCO)cc2)c(C)s1
349535340	ZINC000594969828	ref	6.67	-47.92	1	283.412	2.913	1	1	4	Cc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1F
178303967	ZINC000263907688	ref	5.01	-9.66	0	244.298	1.484	1	4	2	Cc1cc2ncc(C(=O)N[C@@H]3C[C@H]3C)c(C)n2n1
178303969	ZINC000001718946	ref	7.27	-10.88	0	247.301	3.881	1	2	0	Cc1cc2nc3[nH]c4ccccc4c3nc2cc1C
398245716	ZINC000650859928	ref	1.56	-10.57	0	281.4	1.027	2	3	3	CC1(CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)CCCC1
178303972	ZINC000265029304	ref	3.66	-7.69	0	229.243	1.705	0	6	1	Cc1cc2ncc(-c3nc(C)no3)c(C)n2n1
219048207	ZINC000286545866	ref	4.46	-11.51	0	320.349	1.884	0	8	4	Cc1nc([C@H](C)OC(=O)[C@@H]2CCCO[C@H]2c2ccnn2C)no1
219048208	ZINC000286546987	ref	3.38	-41.76	-1	318.289	1.969	0	7	3	Cc1noc([C@@H]2CCCN2C(=O)c2cc([O-])cc([N+](=O)[O-])c2)n1
349535341	ZINC000594969828	high	5.48	-13.93	0	283.412	2.913	1	2	4	Cc1cccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c1F
349535337	ZINC000621495085	ref	7.57	-10.36	0	296.317	3.124	1	2	4	O=C(NCC[C@H]1CC1(F)F)N1CCC=C(c2ccco2)C1
299072283	ZINC000567664035	high	5.66	-9.03	0	260.381	2.253	2	2	6	N[C@@H](CC(=O)NCC1CCCC1)Cc1ccccc1
219048201	ZINC000350695011	ref	8.49	-7.33	0	285.453	3.08	0	3	5	CCS[C@@H]1CCCCN(C(=O)CC[C@H]2CCCO2)C1
190494076	ZINC000269432888	ref	3.86	-16.23	0	277.28	1.046	2	5	5	C[C@H](O)CNC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21
219048203	ZINC000350683352	ref	4.85	-13.53	0	281.319	2.086	2	4	4	C[C@@H](NC(=O)c1ccnn1-c1ccccc1)c1cn[nH]c1
342596842	ZINC000590783669	mid	4.34	-46.7	1	263.403	1.312	1	3	8	COCC[N@@H+](CCCS(C)(=O)=O)C1CCCC1
282123126	ZINC000449155033	high	5.74	-5.35	0	299.393	2.41	1	3	5	CN(C)C1(CNCc2ccncc2F)Cc2ccccc2C1
342596843	ZINC000590783669	mid	1.78	-13.97	0	263.403	1.312	0	4	8	COCCN(CCCS(C)(=O)=O)C1CCCC1
197594650	ZINC000162827662	ref	6.47	-12.73	0	302.296	2.551	0	4	3	O=C(C[C@@H]1CCCCO1)n1ccc(=NCC(F)(F)F)cc1
214187529	ZINC000053525423	ref	5.53	-11.61	0	331.416	2.733	1	4	7	COc1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)N(C)C)cc1
342596844	ZINC000590784607	ref	6.21	-46.3	1	257.337	1.69	2	3	3	Oc1ccc2c(c1)CC[N@@H+](CCn1cccn1)CC2
282123129	ZINC000449155365	ref	3.72	-10.91	0	285.347	2.301	2	4	5	CCOc1cc(C)ccc1CNC(=O)c1ccc(N)cn1
282123132	ZINC000449155444	ref	8.52	-51.41	-1	287.319	2.053	0	5	5	CCN(CC)C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1
306234462	ZINC000557844139	ref	5.25	-15.95	0	349.456	1.985	1	5	7	COCc1ccccc1CS(=O)(=O)NCc1cnc2n1CCCC2
342596845	ZINC000590784607	mid	6.2	-47.55	1	257.337	1.69	2	3	3	Oc1ccc2c(c1)CC[N@H+](CCn1cccn1)CC2
190494077	ZINC000269435432	ref	6.58	-11.99	0	290.363	2.922	1	3	4	CCC(=O)c1cccc(NC(=O)N2CCC(OC)CC2)c1
219048206	ZINC000350686583	ref	3.86	-19.39	0	297.289	3.057	1	4	4	O=C(Cc1ncccc1F)Nc1cccc(-c2ncco2)c1
342596846	ZINC000590784607	high	4.25	-8.41	0	257.337	1.69	1	4	3	Oc1ccc2c(c1)CCN(CCn1cccn1)CC2
214187531	ZINC000053525423	mid	8.12	-43.92	1	331.416	2.733	2	3	7	COc1ccc(CN(C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1
219048209	ZINC000350695062	ref	4.84	-17.15	0	299.374	2.462	3	3	5	Cc1ccnc(NC(=O)NC[C@](C)(CO)c2ccccc2)c1
342596847	ZINC000590783971	ref	5.01	-53.5	1	297.424	1.399	0	5	5	Cc1nccc([C@H]2CCCN(CCCS(C)(=O)=O)C2)n1
219048211	ZINC000286546987	mid	2.62	-19.82	0	318.289	1.969	1	7	3	Cc1noc([C@@H]2CCCN2C(=O)c2cc(O)cc([N+](=O)[O-])c2)n1
365638605	ZINC000641602195	ref	3.1	-9.98	0	266.366	1.647	1	4	1	CC(C)(C)c1ncsc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365638609	ZINC000641602136	ref	5.43	-39.96	1	288.457	1.969	2	2	5	CC1(CS(=O)(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCC1
365638612	ZINC000641602136	mid	4.37	-40.59	1	288.457	1.969	2	2	5	CC1(CS(=O)(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCC1
136229331	ZINC000293014817	ref	6.42	-35.03	1	221.275	1.814	1	2	4	CC#CCN(C)C[C@@H](O)c1ccccc1F
365638615	ZINC000641602136	mid	2.63	-8.18	0	288.457	1.969	1	3	5	CC1(CS(=O)(=O)NC[C@@H]2CCN2C(C)(C)C)CCC1
342080452	ZINC000625323293	ref	0.5	-9.39	0	255.318	1.224	1	6	6	Cc1noc([C@@H](C)NCCOC2CCOCC2)n1
342080453	ZINC000625323293	low	1.74	-44.77	1	255.318	1.224	1	5	6	Cc1noc([C@@H](C)[NH2+]CCOC2CCOCC2)n1
365638619	ZINC000641605662	ref	0.84	-14.32	0	290.41	1.548	1	5	4	C[C@H](NS(=O)(=O)[C@@H]1CCOC[C@@H]1C)c1cscn1
342080454	ZINC000050960545	ref	5.78	-56.71	1	260.337	1.84	2	2	2	O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CCCCO1
365638624	ZINC000641605098	ref	2.62	-12.48	0	298.408	1.277	1	4	5	Cc1ccncc1CCNS(=O)(=O)[C@H]1CCOC[C@H]1C
365638628	ZINC000641602193	ref	3.53	-9.63	0	260.337	1.309	2	3	3	Cc1cccc(C)c1NCC(=O)N1C[C@@H]2C[C@]2(O)C1
365639347	ZINC000336555676	low	7.71	-101.67	2	253.415	2.224	2	2	3	Cc1ncc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)s1
365639352	ZINC000336555676	low	8.0	-101.14	2	253.415	2.224	2	2	3	Cc1ncc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)s1
365639356	ZINC000336555676	low	8.0	-101.14	2	253.415	2.224	2	2	3	Cc1ncc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1
365639360	ZINC000336555676	low	7.92	-100.49	2	253.415	2.224	2	2	3	Cc1ncc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)s1
365639365	ZINC000336555141	ref	5.51	-34.19	1	284.354	2.337	1	3	3	C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1nccn1C(F)F
365639369	ZINC000336555141	mid	6.1	-32.95	1	284.354	2.337	1	3	3	C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1nccn1C(F)F
365639372	ZINC000336555141	high	3.85	-5.76	0	284.354	2.337	0	4	3	C[C@H]1CN2CCCC[C@@H]2CN1Cc1nccn1C(F)F
342080455	ZINC000050960545	high	4.37	-11.4	0	260.337	1.84	2	3	2	O=C(Nc1cccc2c1CCNC2)[C@@H]1CCCCO1
365639376	ZINC000336555172	ref	7.7	-41.42	1	277.412	2.367	1	3	3	Cc1c(C[NH+]2CCC(C3CCOCC3)CC2)cnn1C
365639384	ZINC000336555172	high	4.92	-6.78	0	277.412	2.367	0	4	3	Cc1c(CN2CCC(C3CCOCC3)CC2)cnn1C
365639389	ZINC000641608609	high	4.58	-14.12	0	271.364	1.742	0	4	1	CN1CC[C@@]2(CCN(c3ccc4c(n3)C(=O)CC4)C2)C1
214187533	ZINC000337628394	ref	7.36	-40.34	1	252.333	2.201	2	1	5	CC(C)[C@@H](NC(=O)C[NH+](C)C)c1ccc(F)cc1
214187536	ZINC000337628394	mid	4.64	-7.22	0	252.333	2.201	1	2	5	CC(C)[C@@H](NC(=O)CN(C)C)c1ccc(F)cc1
214187541	ZINC000337631294	ref	8.0	-11.44	0	299.418	3.448	1	3	6	CCC(C)(C)c1ccc(CNC(=O)[C@H](C)n2cccn2)cc1
299072284	ZINC000358088285	ref	5.23	-8.27	0	323.462	1.977	2	4	7	CCc1nc(CCNC(=O)C(=O)N[C@@H](C)CC2CC2)sc1C
299072289	ZINC000358087027	ref	4.93	-41.69	1	306.406	1.859	2	3	8	CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1
214187553	ZINC000337631957	ref	2.53	-11.51	0	257.334	0.284	1	3	4	CO[C@@H](C)CCNC(=O)N1CC(=O)N(C)[C@H](C)C1
342080456	ZINC000625311533	ref	3.15	-8.54	0	266.385	1.092	1	3	3	C[C@@H](O)CN1CCN(C(=O)[C@@H]2CCCC23CC3)CC1
214187557	ZINC000337631759	ref	8.89	-11.04	0	285.412	3.42	1	2	4	CS[C@H](C)CNC(=O)c1ccc2c3c(cccc13)CC2
214187563	ZINC000337628427	ref	6.09	-6.23	0	266.41	3.46	1	3	5	CCCC1(CNC(=O)c2nc(C)sc2C)CCC1
342080457	ZINC000625311533	mid	5.49	-42.68	1	266.385	1.092	2	2	3	C[C@@H](O)C[NH+]1CCN(C(=O)[C@@H]2CCCC23CC3)CC1
214187569	ZINC000337630785	ref	4.99	-12.8	0	295.298	2.034	2	4	3	N#Cc1ccc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)[nH]1
342080458	ZINC000625323144	ref	2.77	-12.82	0	299.392	1.878	1	4	9	C=CCCS(=O)(=O)NC[C@H](OC)c1cccc(OC)c1
342080459	ZINC000625323050	ref	2.48	-40.18	1	295.379	1.514	2	4	8	COc1cccc([C@@H](CO)[NH2+]CCOC2CCOCC2)c1
342080460	ZINC000625323050	high	1.31	-8.15	0	295.379	1.514	2	5	8	COc1cccc([C@@H](CO)NCCOC2CCOCC2)c1
342080461	ZINC000625310950	ref	8.42	-12.89	0	292.383	1.559	0	5	5	CCO[C@@H](C(=O)N1CCn2c(nnc2C(C)C)C1)C1CC1
342080462	ZINC000625322646	ref	7.82	-41.58	1	266.385	1.568	2	2	7	C=CC[NH+]1CCC(NC(=O)[C@H](OCC)C2CC2)CC1
342080463	ZINC000625322646	high	5.43	-8.29	0	266.385	1.568	1	3	7	C=CCN1CCC(NC(=O)[C@H](OCC)C2CC2)CC1
342088413	ZINC000121505588	ref	7.3	-45.22	1	275.396	1.723	1	2	5	CN(CCN(C)c1ccccc1)C(=O)[C@@]1(C)CCC[NH2+]1
343994087	ZINC000625559264	ref	1.94	-11.15	0	233.333	1.051	1	3	5	C/C=C/CNS(=O)(=O)C[C@@H]1CCCCO1
282123130	ZINC000248978969	ref	2.44	-10.09	0	305.44	1.534	1	4	5	CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)[C@H]1CCO[C@H]1C
343994088	ZINC000619372262	ref	6.62	-9.0	0	241.743	2.884	0	2	1	O=C(c1sccc1Cl)N1CC[C@@H]2C[C@@H]2C1
214187576	ZINC000337628636	ref	2.68	-20.86	0	255.318	0.131	1	5	9	CN(CCOCCO)C(=O)CCCn1cccn1
185089282	ZINC000096076152	ref	8.24	-12.73	0	260.341	1.458	0	4	3	CCCC(=O)N1CC[C@@]2(CCN2c2ncccn2)C1
365638617	ZINC000336555022	high	5.76	-3.72	0	279.405	2.192	0	4	3	c1ccc([C@H]2CSCCN2C[C@@H]2COCCO2)cc1
365638621	ZINC000336554508	ref	6.99	-13.25	0	261.218	2.428	0	1	2	O=C(Cc1ccc(C(F)(F)F)cc1)N1CC(F)C1
214187534	ZINC000053525619	ref	9.89	-15.09	0	332.367	2.272	2	5	5	O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccccn2)n[nH]1
365638626	ZINC000336554962	ref	6.41	-40.12	1	251.374	2.063	1	3	3	Cc1noc(C)c1CN1CC[N@@H+](C)C[C@H]1C(C)C
342596848	ZINC000590783971	mid	4.54	-52.69	1	297.424	1.399	1	4	5	Cc1nccc([C@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)n1
214187537	ZINC000053525619	high	9.73	-54.21	-1	332.367	2.272	1	5	5	O=C(CCn1ccc2ccccc21)Nc1nc(-c2ccccn2)n[n-]1
365638631	ZINC000336554962	mid	5.98	-40.7	1	251.374	2.063	1	3	3	Cc1noc(C)c1CN1CC[N@H+](C)C[C@H]1C(C)C
214187540	ZINC000053548260	ref	8.68	-8.85	0	328.372	3.205	1	6	6	CCc1cc(NC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1
343994090	ZINC000139409469	low	4.25	-48.5	1	170.256	0.953	1	1	3	CCC(CC)N1C(=O)C[NH2+][C@H]1C
365638633	ZINC000336554962	mid	5.49	-34.96	1	251.374	2.063	1	3	3	Cc1noc(C)c1C[N@H+]1CCN(C)C[C@H]1C(C)C
197594667	ZINC000290098733	ref	6.4	-41.75	1	290.407	1.953	2	2	7	CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCOCc1ccccc1
168364887	ZINC000368500515	ref	6.95	-16.64	0	345.447	3.016	2	4	4	Cc1n[nH]cc1C1CCN(C(=O)NC[C@@H](C)c2c(C)noc2C)CC1
282123131	ZINC000533472686	ref	2.24	-10.98	0	264.329	1.41	2	4	2	Cc1ncc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)cn1
214187544	ZINC000053548260	low	8.95	-37.22	1	328.372	3.205	1	5	6	CCc1cc(NC[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1
282123133	ZINC000533472940	ref	3.29	-12.46	0	266.341	1.624	2	3	4	C[C@H](O)[C@H]1CCCN(C(=O)NCCc2ccco2)C1
197594669	ZINC000290097643	ref	6.45	-8.3	0	277.389	3.365	1	3	5	Cc1cccc2cc(C(=O)NCCOC(C)C)sc12
192037987	ZINC000418463167	ref	2.94	-51.78	1	239.319	1.577	2	2	5	C[C@@H](C[NH3+])CNC(=O)N(C)[C@@H](C)c1ccco1
303960021	ZINC000563542249	ref	6.55	-27.53	0	318.398	1.969	0	5	2	Cc1cc(=O)c(C(=O)N2CCO[C@@H](c3ccsc3)C2)cn1C
303960023	ZINC000563541420	ref	3.73	-14.88	0	308.426	1.524	3	2	3	CNC(=O)NC1CN(C(=O)N[C@@H](C)[C@@H]2CC3CCC2CC3)C1
365638635	ZINC000336554962	mid	5.95	-36.58	1	251.374	2.063	1	3	3	Cc1noc(C)c1C[N@@H+]1CCN(C)C[C@H]1C(C)C
323004636	ZINC000127178926	high	1.85	-7.41	0	236.315	1.439	2	3	6	CC[C@](C)(NCc1cccc(OC)c1)C(N)=O
365638637	ZINC000336554962	high	3.99	-4.57	0	251.374	2.063	0	4	3	Cc1noc(C)c1CN1CCN(C)C[C@H]1C(C)C
398245720	ZINC000650859928	mid	3.93	-47.3	1	281.4	1.027	3	2	3	CC1(CNC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CCCC1
178303980	ZINC000249800827	ref	7.02	-48.27	1	244.342	2.405	1	3	3	Cc1cc2ncc([C@H](C)[NH2+][C@@H]3C[C@H]3C)c(C)n2n1
349535339	ZINC000602430623	ref	7.47	-42.34	1	238.331	2.342	2	2	6	CCC[N@H+](CC)Cc1cc(C(=O)OC)c(C)[nH]1
178303981	ZINC000249800827	high	5.95	-7.44	0	244.342	2.405	1	4	3	Cc1cc2ncc([C@H](C)N[C@@H]3C[C@H]3C)c(C)n2n1
349535343	ZINC000602430623	mid	7.48	-42.39	1	238.331	2.342	2	2	6	CCC[N@@H+](CC)Cc1cc(C(=O)OC)c(C)[nH]1
365638623	ZINC000172922999	ref	5.87	-11.18	0	296.317	1.661	1	2	4	C[C@@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C(=O)N(C)C
178303984	ZINC000012446789	ref	1.43	-9.45	0	242.238	0.776	2	4	0	Cc1cc2nc3[nH]c(=O)[nH]c(=O)c3nc2cc1C
365638629	ZINC000172916315	ref	2.87	-9.16	0	268.382	1.613	1	3	4	CNS(=O)(=O)c1ccc2c(c1)N(CC(C)C)CC2
178303985	ZINC000012446789	high	-0.38	-46.82	-1	242.238	0.776	1	4	0	Cc1cc2nc3[nH]c(=O)[n-]c(=O)c3nc2cc1C
178303988	ZINC000257266372	ref	3.85	-45.72	1	245.286	0.555	2	5	2	Cc1cc2ncc(C(=O)[C@@H]3CCC[NH2+]3)c(N)n2n1
299072285	ZINC000354602100	ref	1.72	-17.62	0	338.165	0.439	1	5	2	NC(=O)[C@@H]1CCN(C(=O)c2cnn3cc(Br)cnc23)C1
178303991	ZINC000257266372	high	2.63	-10.07	0	245.286	0.555	2	6	2	Cc1cc2ncc(C(=O)[C@@H]3CCCN3)c(N)n2n1
178303994	ZINC000035601485	ref	3.19	-52.0	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)O)c(C)n2n1
178303996	ZINC000035601485	high	2.04	-9.73	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@@H](C)NC[C@@H](C)O)c(C)n2n1
398245721	ZINC000650859928	mid	4.01	-45.97	1	281.4	1.027	3	2	3	CC1(CNC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CCCC1
178304000	ZINC000020083121	ref	6.34	-47.63	1	230.315	2.159	1	3	3	Cc1cc2ncc([C@@H](C)[NH2+]C3CC3)c(C)n2n1
178304003	ZINC000020083121	high	5.3	-9.06	0	230.315	2.159	1	4	3	Cc1cc2ncc([C@@H](C)NC3CC3)c(C)n2n1
365638634	ZINC000258707612	ref	7.67	-77.68	0	271.32	1.685	1	4	2	C[NH+]1CCN(c2ccc3cc(C(=O)[O-])ccc3n2)CC1
365638641	ZINC000258707612	mid	5.29	-49.19	-1	271.32	1.685	0	5	2	CN1CCN(c2ccc3cc(C(=O)[O-])ccc3n2)CC1
365638645	ZINC000172921724	ref	6.03	-12.06	0	292.404	1.762	1	3	5	C[C@@H](CNC(=O)[C@@H]1CC(=O)N(C)C1)Sc1ccccc1
178304004	ZINC000206739417	ref	3.55	-12.4	0	247.302	1.958	2	4	1	Cc1cc2ncc(NC(=O)NC(C)(C)C)cn2n1
178304006	ZINC000001386192	ref	8.18	-7.92	0	243.697	3.358	0	3	1	Cc1cc2ncc(-c3ccc(Cl)cc3)cn2n1
349535346	ZINC000602430623	high	5.38	-6.67	0	238.331	2.342	1	3	6	CCCN(CC)Cc1cc(C(=O)OC)c(C)[nH]1
342080464	ZINC000625323750	ref	2.56	-10.43	0	279.34	1.143	1	5	3	O=C(N[C@H]1CCCOC1)c1ccn(C2CCOCC2)n1
342080465	ZINC000625324409	ref	4.61	-32.75	1	254.374	1.531	2	2	6	CCO[C@H](C[N@@H+]1CCCC[C@]1(C)C(N)=O)C1CC1
214187545	ZINC000293609643	ref	9.97	-51.1	1	357.458	0.999	2	5	7	C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1
349535342	ZINC000621243591	ref	4.59	-15.31	0	262.338	2.091	2	4	3	NC(=O)c1c[nH]c2ncnc(SC3CCCC3)c12
214187550	ZINC000293609643	mid	10.05	-50.72	1	357.458	0.999	2	5	7	C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1
214187554	ZINC000293604386	ref	6.67	-19.74	0	372.385	0.969	1	9	5	COCc1cc(NC(=O)C2=C(C)N(C)c3nnnn3C2)cc(C(=O)OC)c1
214187559	ZINC000293604830	ref	3.3	-17.16	0	364.265	0.893	0	4	3	CN(C(=O)c1cc(Br)cn1C)[C@H]1CCN(S(C)(=O)=O)C1
214187562	ZINC000293602801	ref	5.47	-42.01	1	365.434	0.526	3	6	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1
214187566	ZINC000293609639	ref	9.89	-53.07	1	357.458	0.999	2	5	7	C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@H+](Cc2ccccc2)C1
365638627	ZINC000617440667	ref	4.19	-25.3	0	284.283	0.152	1	8	2	C[C@@H]1C[C@H](NC(=O)c2ccc3nnnn3c2)c2ncnn21
365638632	ZINC000617441427	ref	3.76	-15.17	0	252.318	0.807	2	5	4	CC[C@H](C)[C@H](O)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
398245723	ZINC000651443899	ref	5.96	-6.04	0	262.353	3.4	0	4	2	CC1(C)C[C@H](c2noc([C@H]3CC34CCC4)n2)CCO1
282123134	ZINC000449155146	ref	2.33	-12.36	0	273.361	2.422	1	5	4	COc1nccc(CN[C@@H]2CSc3ccccc32)n1
342080466	ZINC000625324409	mid	4.65	-35.9	1	254.374	1.531	2	2	6	CCO[C@H](C[N@H+]1CCCC[C@]1(C)C(N)=O)C1CC1
192037989	ZINC000418464127	ref	3.77	-50.62	1	227.352	1.411	2	1	5	C[C@@H](C[NH3+])CNC(=O)N(C)[C@@H](C)C1CCC1
342080467	ZINC000625324409	high	2.22	-8.38	0	254.374	1.531	1	3	6	CCO[C@H](CN1CCCC[C@]1(C)C(N)=O)C1CC1
342080468	ZINC000625324276	ref	5.34	-43.45	1	296.333	1.802	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1
342080469	ZINC000625327201	ref	3.52	-12.67	0	297.376	1.712	1	4	6	C=CCCS(=O)(=O)NC[C@]1(C)COc2ccccc2O1
342080470	ZINC000625323680	ref	4.59	-11.35	0	297.42	1.965	1	3	7	O=S(=O)(CCc1ccccc1)NCC[C@H]1CCCOC1
342080471	ZINC000625323849	ref	3.83	-10.9	0	277.32	1.512	1	4	2	C[C@]1(C(=O)N[C@@H]2CCCOC2)COc2ccccc2O1
342080472	ZINC000625323539	ref	2.5	-15.05	0	280.328	1.438	1	5	4	CN(C)C(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1
342596849	ZINC000590783971	mid	5.01	-53.5	1	297.424	1.399	1	4	5	Cc1nccc([C@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)n1
299072286	ZINC000567661992	ref	5.3	-7.43	0	288.391	2.393	3	2	6	O=C(N[C@H](CO)CC1CCC1)N[C@H]1C[C@H]1c1ccccc1
342596850	ZINC000590785025	ref	5.15	-47.48	1	276.38	1.707	3	2	4	CC(C)NC(=O)CC[N@@H+]1CCc2ccc(O)cc2CC1
342596851	ZINC000590785025	mid	5.15	-47.66	1	276.38	1.707	3	2	4	CC(C)NC(=O)CC[N@H+]1CCc2ccc(O)cc2CC1
365638636	ZINC000617439909	ref	5.51	-43.47	1	251.334	0.74	2	4	4	CC[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)[NH+](C)C
282123135	ZINC000248979185	ref	1.73	-39.16	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1
342596852	ZINC000590784744	ref	4.3	-43.19	1	260.337	1.095	3	2	4	C=CCNC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
299072524	ZINC000459276104	ref	4.83	-12.12	0	313.405	2.903	2	4	4	C[C@@H](NC(=O)Nc1cccc(N2CCCC2)c1)c1ccn(C)n1
342596853	ZINC000590784744	mid	4.3	-42.25	1	260.337	1.095	3	2	4	C=CCNC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
190494083	ZINC000269434717	ref	5.49	-16.18	0	297.362	3.007	1	6	4	Cc1nc(CNc2cccc(-c3nnc(C)n3C)c2)oc1C
190494084	ZINC000269434562	ref	2.94	-7.52	0	297.449	3.466	1	6	6	CO[C@@H](C)c1nc(CN[C@H](C)c2csc(C)n2)cs1
282123139	ZINC000248979185	mid	1.73	-44.02	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1
282123142	ZINC000248977977	ref	3.12	-37.9	1	314.813	1.651	3	4	7	Cc1ccc(Cl)cc1NC(=O)CN(C[C@@H](C)O)[C@H](C)CO
398245725	ZINC000650859056	ref	5.01	-8.55	0	270.373	1.622	1	3	6	CC[C@@H]1CN(C(=O)NCCOCC2CC2)[C@H](C)CO1
398245728	ZINC000650858170	ref	2.81	-15.56	0	296.396	1.434	2	4	5	Cc1nc([C@@H](C)NC(=O)NCCN2CCCC2=O)cs1
398245732	ZINC000650859690	ref	2.15	-10.33	0	284.4	1.797	3	3	5	CC1(CNC(=O)NCC[C@]2(O)CCCOC2)CCCC1
342596854	ZINC000590784744	mid	2.55	-10.02	0	260.337	1.095	2	3	4	C=CCNC(=O)CN1CCc2ccc(O)cc2CC1
197594682	ZINC000290097516	ref	5.75	-14.89	0	297.326	2.04	1	4	7	COC(=O)C[C@@H](C)CC(=O)NCc1cc(F)ccc1OC
349535344	ZINC000621497346	ref	7.58	-8.23	0	274.355	3.108	1	1	3	C[C@H]1C[C@@H](C)CN(C(=O)NCC[C@H]2CC2(F)F)[C@@H]1C
282123151	ZINC000248977977	mid	2.99	-40.84	1	314.813	1.651	4	3	7	Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO
349536166	ZINC000602431468	low	7.61	-111.57	2	239.363	1.189	2	2	6	C[C@H](CCC#N)C[N@H+]1CCO[C@H](C[NH+](C)C)C1
166172863	ZINC000002379643	ref	6.69	-5.28	0	197.278	2.596	0	2	4	C=CCN(CC=C)C(=O)OC(C)(C)C
197594683	ZINC000162833080	ref	3.04	-15.61	0	314.432	1.172	1	4	4	CNS(=O)(=O)c1cccc(C(=O)N(C)[C@@H]2CCSC2)c1
342596855	ZINC000590798052	ref	5.82	-17.31	0	264.216	1.721	1	4	2	N#CC1CN(C(=O)Nc2ccc([N+](=O)[O-])cc2F)C1
342596856	ZINC000590783970	ref	4.54	-52.73	1	297.424	1.399	0	5	5	Cc1nccc([C@@H]2CCCN(CCCS(C)(=O)=O)C2)n1
349535345	ZINC000621243591	low	4.86	-33.42	1	262.338	2.091	2	3	3	NC(=O)c1c[nH]c2nc[nH+]c(SC3CCCC3)c12
185089284	ZINC000096075972	ref	6.45	-41.38	1	261.325	1.375	1	3	3	O=C(c1ccno1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
361823565	ZINC000439644358	ref	4.58	-38.03	1	297.443	1.806	3	2	6	C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC(=O)N(CCO)C1CCC1
342596857	ZINC000590783970	mid	5.01	-53.56	1	297.424	1.399	1	4	5	Cc1nccc([C@@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)n1
342596858	ZINC000590783970	mid	4.54	-52.73	1	297.424	1.399	1	4	5	Cc1nccc([C@@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)n1
299072287	ZINC000275500955	ref	8.15	-13.74	0	321.812	2.932	1	4	4	C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ncn(C)n1
349536170	ZINC000602431468	high	2.9	-8.56	0	239.363	1.189	0	4	6	C[C@H](CCC#N)CN1CCO[C@H](CN(C)C)C1
342596859	ZINC000616980346	ref	7.86	-42.75	1	283.416	1.044	1	2	7	CC[C@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1
361823577	ZINC000439644358	mid	2.89	-10.82	0	297.443	1.806	3	2	6	C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)N(CCO)C1CCC1
361823582	ZINC000439644358	high	2.89	-10.82	0	297.443	1.806	2	3	6	C[C@H]1CCC[C@@H](C)N1CCNC(=O)N(CCO)C1CCC1
361823588	ZINC000629301247	ref	5.48	-40.74	-1	291.413	1.985	1	4	8	CCC(C)(C)CS(=O)(=O)N[C@@H](CC1CCC1)C(=O)[O-]
361823594	ZINC000629300575	ref	5.68	-68.73	-1	275.37	1.444	0	4	4	CC(C)C1(S(=O)(=O)N2CCC[C@]2(C)C(=O)[O-])CC1
361823600	ZINC000629300804	ref	4.83	-55.53	-1	291.275	1.121	0	4	3	Cc1ccc(S(=O)(=O)N2CC[C@H]2C(=O)[O-])c(F)c1F
361823607	ZINC000629300760	ref	5.69	-44.27	-1	289.397	1.547	0	4	4	CC(C)C1(S(=O)(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)CC1
361823615	ZINC000629300803	ref	5.91	-50.56	-1	277.386	1.547	0	4	7	CCN(C[C@H](C)C(=O)[O-])S(=O)(=O)C1(C(C)C)CC1
361823621	ZINC000629300730	ref	6.62	-43.57	-1	286.372	1.647	0	4	4	CCN(C(=O)N1C[C@H](C)O[C@H](C)C1)[C@H](C(=O)[O-])C(C)C
361823625	ZINC000439635879	ref	5.02	-42.71	1	281.4	1.193	3	2	6	C=CC[NH+]1CCC(NC(=O)N(CCO)C2CCC2)CC1
361823631	ZINC000439635879	high	2.63	-9.88	0	281.4	1.193	2	3	6	C=CCN1CCC(NC(=O)N(CCO)C2CCC2)CC1
361823639	ZINC000640340896	ref	1.35	-49.87	-1	292.364	1.35	3	3	3	CC(C)[C@H](NC(=O)N=c1[nH]sc2ccccc12)C(N)=O
361823849	ZINC000629300683	ref	4.4	-59.42	-1	293.385	1.069	0	5	6	CCN([C@H](C)CC(=O)[O-])S(=O)(=O)[C@@H]1COC(C)(C)C1
342080473	ZINC000625323971	ref	5.2	-49.66	1	276.311	1.945	2	3	4	CN(CC(=O)c1c[nH]c2ccc(F)cc12)C1CC(O)C1
342080474	ZINC000625323971	low	5.2	-49.9	1	276.311	1.945	3	2	4	C[N@H+](CC(=O)c1c[nH]c2ccc(F)cc12)C1CC(O)C1
342080475	ZINC000625323971	low	5.2	-49.66	1	276.311	1.945	3	2	4	C[N@@H+](CC(=O)c1c[nH]c2ccc(F)cc12)C1CC(O)C1
342080476	ZINC000625324060	ref	5.89	-45.39	1	288.457	1.684	2	2	8	CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080477	ZINC000625324060	mid	3.77	-8.92	0	288.457	1.684	1	3	8	CCN(CC)CCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
214187539	ZINC000278489810	ref	5.35	-19.28	0	319.361	2.104	2	5	7	C=C(C)[C@H]1OCC[C@H]1C(=O)NCCNc1ccccc1[N+](=O)[O-]
214187543	ZINC000278489159	ref	2.83	-9.02	0	306.41	2.153	2	5	3	CC(C)(C)OC(=O)N[C@H]1CCCN(Cc2ccnc(N)c2)C1
214187548	ZINC000278489159	mid	5.66	-47.96	1	306.41	2.153	3	4	3	CC(C)(C)OC(=O)N[C@H]1CCC[N@H+](Cc2ccnc(N)c2)C1
214187551	ZINC000278489159	mid	5.04	-47.37	1	306.41	2.153	3	4	3	CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1
342080478	ZINC000625323646	ref	4.52	-9.58	0	279.311	1.672	1	3	2	O=C(N[C@@H]1CCCOC1)[C@@H]1COc2cc(F)ccc2C1
214187556	ZINC000278491016	ref	1.89	-10.31	0	304.394	1.054	2	4	5	Cc1ccc(CNC(=O)NCC2(N3CCOCC3)CC2)cn1
214187561	ZINC000278491016	low	4.1	-42.19	1	304.394	1.054	3	3	5	Cc1ccc(CNC(=O)NCC2([NH+]3CCOCC3)CC2)cn1
214187565	ZINC000278489899	ref	3.72	-12.64	0	313.199	1.036	1	4	4	Cn1ncc(Br)c1CN[C@@H]1CC(=O)N(C2CC2)C1
185089286	ZINC000096075972	mid	6.53	-40.31	1	261.325	1.375	1	3	3	O=C(c1ccno1)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
185089288	ZINC000096075972	high	3.51	-5.89	0	261.325	1.375	0	4	3	O=C(c1ccno1)N1CC[C@@]2(CCN2CC2CC2)C1
361823567	ZINC000612424065	ref	3.66	-9.28	0	309.406	2.296	2	4	9	CCC(CC)[C@H](O)CNC(=O)[C@@H](OC)c1cccc(OC)c1
342080479	ZINC000625324470	ref	5.71	-11.99	0	259.309	1.552	1	4	2	Cc1cc(C(=O)N[C@@H]2CCCOC2)c2nccn2c1
342080480	ZINC000625323942	ref	5.25	-11.11	0	271.368	1.836	1	4	4	C[C@@H]1C[C@@H](c2cccnc2)[N@H+](CCc2cn(C)nn2)C1
342080481	ZINC000625323942	mid	6.57	-45.47	1	271.368	1.836	1	4	4	C[C@@H]1C[C@@H](c2cccnc2)[N@@H+](CCc2cn(C)nn2)C1
342080482	ZINC000625323942	high	5.25	-11.11	0	271.368	1.836	0	5	4	C[C@@H]1C[C@@H](c2cccnc2)N(CCc2cn(C)nn2)C1
214187567	ZINC000278489899	mid	4.93	-60.31	1	313.199	1.036	1	3	4	Cn1ncc(Br)c1C[NH2+][C@@H]1CC(=O)N(C2CC2)C1
166172872	ZINC000077273467	ref	4.74	-56.59	-1	187.195	-0.268	0	4	6	C=CCN(C)C(=O)COCC(=O)[O-]
282123136	ZINC000533472515	ref	3.85	-15.71	0	278.352	1.468	1	4	4	C[C@H](Oc1cccnc1)C(=O)N1CCC[C@@H]([C@H](C)O)C1
282123138	ZINC000533472684	ref	2.44	-10.79	0	264.329	1.41	2	4	2	Cc1ncc(NC(=O)N2CCC[C@@H]([C@H](C)O)C2)cn1
282123140	ZINC000533473196	ref	4.36	-16.72	0	279.365	1.655	1	4	4	CCc1ncsc1NC(=O)[C@H]1CC(=O)N(C2CC2)C1
342596860	ZINC000616980346	high	5.4	-10.62	0	283.416	1.044	0	3	7	CC[C@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1
343994901	ZINC000073807042	ref	3.14	-15.44	0	238.331	1.352	2	2	4	O=C1CC[C@@H](C(=O)NCCC2CCCCC2)N1
365619076	ZINC000274307582	ref	4.9	-7.89	0	277.364	1.912	1	4	4	CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2C)C[C@H]1O
365619087	ZINC000274307582	mid	6.72	-32.79	1	277.364	1.912	2	3	4	CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2ccccc2C)C[C@H]1O
365619094	ZINC000274307582	mid	6.69	-32.47	1	277.364	1.912	2	3	4	CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2ccccc2C)C[C@H]1O
365619100	ZINC000274304338	ref	3.25	-9.44	0	282.771	1.849	1	3	4	CNC(=O)CCN1CCO[C@@H](c2cccc(Cl)c2)C1
365619106	ZINC000274304338	low	5.1	-47.38	1	282.771	1.849	2	2	4	CNC(=O)CC[N@@H+]1CCO[C@@H](c2cccc(Cl)c2)C1
365619110	ZINC000274304338	low	5.52	-46.43	1	282.771	1.849	2	2	4	CNC(=O)CC[N@H+]1CCO[C@@H](c2cccc(Cl)c2)C1
365619116	ZINC000274307603	ref	2.29	-9.06	0	298.408	1.893	2	4	3	CC1(C)C[C@@H](NS(=O)(=O)c2ccccc2N)C(C)(C)O1
365619122	ZINC000274304003	ref	4.22	-9.49	0	281.327	1.366	1	3	4	C[C@@H](O)C[C@H]1COCCN1C(=O)Cc1cccc(F)c1
365619129	ZINC000637717038	ref	3.43	-8.29	0	296.411	1.937	3	3	4	O=C(N[C@@H]1CCCC[C@@H]1O)N[C@H](C1CCC1)[C@H]1CCCO1
365619135	ZINC000274306648	ref	0.36	-9.7	0	298.408	1.488	3	4	4	C[C@@]1(CNS(=O)(=O)c2ccccc2N)CCCC[C@H]1O
365619143	ZINC000274305165	ref	5.26	-17.76	0	286.335	1.645	2	4	3	O=C(N[C@H]1CCO[C@@H](C2CC2)C1)c1ccnc2[nH]cnc12
398245726	ZINC000649444068	ref	3.61	-10.99	0	244.294	1.691	1	4	2	Cc1c(-c2ccc3c(c2)C[C@@H](CO)O3)cnn1C
398245730	ZINC000649444093	ref	1.91	-8.82	0	203.245	1.283	1	4	2	Cc1c(-c2ccc(CO)nc2)cnn1C
259308429	ZINC000322965662	mid	6.45	-34.89	1	231.339	2.547	2	1	5	OC[C@H]1CCC[N@H+]1CC/C=C\c1ccccc1
342596861	ZINC000590797632	ref	3.46	-11.71	0	265.288	1.531	2	3	5	COC[C@H](C)NC(=O)NCc1ccc(C#N)c(F)c1
342596862	ZINC000590797747	ref	5.54	-11.2	0	294.351	1.826	2	4	7	CC(C)(C)OC(=O)CCCCNC(=O)C(=O)c1ccc[nH]1
342596863	ZINC000590783515	ref	2.07	-9.9	0	289.335	1.081	3	4	3	Cc1cc(C#N)cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)O)c1
342596864	ZINC000590783937	ref	2.39	-15.6	0	257.355	1.566	0	4	6	COc1ccccc1N(C)CCCS(C)(=O)=O
398245727	ZINC000651431735	ref	4.93	-5.96	0	276.405	3.141	1	4	3	C[C@H](CO)C1CCN(c2nccc3sccc23)CC1
342080483	ZINC000625323907	ref	3.53	-32.15	1	251.33	1.684	1	5	5	CN(Cc1noc(C2CCC2)n1)CC1(O)CCC1
342080484	ZINC000625323907	low	3.3	-32.48	1	251.33	1.684	2	4	5	C[N@H+](Cc1noc(C2CCC2)n1)CC1(O)CCC1
214187547	ZINC000053526266	ref	7.36	-22.82	0	333.311	1.511	2	7	3	O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cnc2ccccn2c1=O
349535347	ZINC000594968648	ref	6.0	-11.99	0	282.372	2.911	1	5	4	CC(C)(NCc1nc(C#N)cs1)c1cccc(C#N)c1
214187552	ZINC000053526266	mid	7.37	-20.43	0	333.311	1.511	2	7	3	O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cnc2ccccn2c1=O
214187555	ZINC000053526266	high	7.29	-72.43	-1	333.311	1.511	1	7	3	O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cnc2ccccn2c1=O
214187558	ZINC000053526266	high	7.2	-73.27	-1	333.311	1.511	1	7	3	O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cnc2ccccn2c1=O
349535349	ZINC000594968648	mid	7.07	-57.36	1	282.372	2.911	1	4	4	CC(C)([NH2+]Cc1nc(C#N)cs1)c1cccc(C#N)c1
214187560	ZINC000053526266	high	7.2	-73.32	-1	333.311	1.511	1	7	3	O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cnc2ccccn2c1=O
342080485	ZINC000625323907	low	3.53	-32.15	1	251.33	1.684	2	4	5	C[N@@H+](Cc1noc(C2CCC2)n1)CC1(O)CCC1
343994091	ZINC000619372326	ref	8.45	-7.46	0	245.297	2.334	0	1	1	O=C([C@@H]1Cc2ccc(F)cc21)N1CC[C@H]2C[C@H]2C1
398245731	ZINC000651433140	ref	8.25	-9.47	0	295.81	3.329	0	2	5	CCOC[C@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1
214187573	ZINC000053524383	ref	7.71	-25.56	0	348.366	2.852	3	5	5	O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cccc(NC(=O)C2CC2)c1
214187575	ZINC000053524383	mid	7.73	-21.24	0	348.366	2.852	3	5	5	O=C(Nc1nc(-c2ccccn2)n[nH]1)c1cccc(NC(=O)C2CC2)c1
214187578	ZINC000053524383	high	7.65	-70.37	-1	348.366	2.852	2	5	5	O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cccc(NC(=O)C2CC2)c1
219048212	ZINC000350695157	ref	6.98	-12.17	0	285.391	3.378	1	2	2	Cc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c2[nH]ncc2c1
349535354	ZINC000594968894	ref	5.65	-50.14	1	271.451	2.836	1	2	4	Cc1ccsc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
349535358	ZINC000594969586	ref	8.27	-59.25	1	278.352	2.808	1	3	7	COC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1
349535362	ZINC000594969894	ref	6.25	-48.27	1	288.391	2.62	2	3	9	C[C@@H]([NH2+]Cc1cccc(OCCCC#N)c1)C1(CO)CC1
214187570	ZINC000293609639	mid	9.96	-52.71	1	357.458	0.999	2	5	7	C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1
214187574	ZINC000293602395	ref	1.66	-48.8	1	371.503	0.726	4	4	10	CC[C@H](O)CNC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C
214187579	ZINC000293612956	ref	-0.72	-22.17	0	359.39	0.856	4	6	7	CCn1nc(C)c(C(=O)Nc2cccc(NC(=O)NCCC(N)=O)c2)n1
214187584	ZINC000293612912	ref	4.94	-16.8	0	366.439	0.651	0	5	3	CN(C(=O)[C@@]1(C)Cc2ccccc2C(=O)O1)[C@H]1CCN(S(C)(=O)=O)C1
342080486	ZINC000625323955	ref	-0.91	-11.57	0	265.342	1.496	1	7	5	COc1cncc(CN[C@H](C)c2nnc(C)s2)n1
214187591	ZINC000293602023	ref	0.79	-15.06	0	357.354	0.913	1	6	7	Cn1cc(S(=O)(=O)NCCCO[C@H]2CCOC2)c(C(F)(F)F)n1
214187595	ZINC000293602023	mid	0.29	-44.47	-1	357.354	0.913	0	6	7	Cn1cc(S(=O)(=O)[N-]CCCO[C@H]2CCOC2)c(C(F)(F)F)n1
214187599	ZINC000293611479	ref	0.33	-17.41	0	366.374	0.354	3	5	4	N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@]23NC(=O)NC3=O)cc1F
214187602	ZINC000293600347	ref	3.0	-17.49	0	355.394	0.864	2	4	2	CO[C@@H]1[C@H]2C[C@@H]3CN(C(=O)c4ccc5c(c4)NC(=O)CNC5=O)[C@@H]1[C@H]3C2
299072288	ZINC000354603505	ref	-0.54	-18.25	0	347.371	0.418	3	5	5	NC(=O)C[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)C1CCOCC1
349535348	ZINC000621242950	ref	4.72	-13.71	0	273.34	2.001	3	4	4	NC(=O)c1c[nH]c2ncnc(NCC3CCCCC3)c12
214187604	ZINC000293601196	ref	1.92	-50.03	1	371.503	0.337	4	4	9	Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@@H](C)O)cc1
214187608	ZINC000293608539	ref	2.43	-15.4	0	351.428	0.84	2	5	7	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccccc1SCCC(N)=O
214187612	ZINC000293607853	ref	1.2	-13.92	0	367.203	0.885	3	4	4	CC(C)[C@@H](NC(=O)C(=O)Nc1ccc(Br)c(C#N)c1)C(N)=O
214187616	ZINC000293615046	ref	3.23	-15.11	0	366.365	0.91	0	5	3	Cc1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)nc(C(F)(F)F)n1
214187619	ZINC000293610493	ref	-0.49	-14.44	0	358.416	0.138	2	6	7	CON(C)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1
214187624	ZINC000293607087	ref	1.82	-23.11	0	365.455	0.877	2	5	4	C[C@H]1C[C@@H](O)CCN1C(=O)CCCNC1=NS(=O)(=O)c2ccccc21
214187629	ZINC000293605248	ref	5.8	-10.97	0	372.381	0.739	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCc2c(cccc2OC)C1
342080487	ZINC000625323679	ref	4.6	-11.19	0	297.42	1.965	1	3	7	O=S(=O)(CCc1ccccc1)NCC[C@@H]1CCCOC1
342080488	ZINC000625323576	ref	5.1	-13.77	0	296.172	1.823	1	5	4	C[C@H](NCc1ccncc1Br)c1nncn1C
365619077	ZINC000625018980	ref	9.7	-18.63	0	317.437	2.284	1	4	3	Cn1cnnc1C1CCN(C(=O)NC[C@H]2CCCC23CC3)CC1
398245729	ZINC000349643065	ref	6.14	-45.0	1	237.318	3.2	2	1	6	C[C@@H](CCC1CC1)[NH2+]Cc1cc(O)cc(F)c1
365619088	ZINC000625019589	ref	7.21	-11.96	0	318.425	2.474	1	6	9	CCOCCCn1c(-c2cn[nH]c2)nnc1N(CC)C1CCC1
365619093	ZINC000625019393	ref	4.74	-9.66	0	309.431	2.204	1	3	4	CC1(C)C[C@H](S(=O)(=O)N[C@H]2C[C@@]2(C)c2ccccc2)CO1
365619099	ZINC000625018082	ref	4.01	-10.99	0	317.476	2.414	1	4	6	C[C@@H](CNS(=O)(=O)[C@@H]1COC(C)(C)C1)Cc1cccs1
365619102	ZINC000625018519	ref	6.0	-11.07	0	304.398	2.083	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H]1C
342596865	ZINC000194546933	ref	4.22	-16.96	0	280.393	1.933	2	3	7	CC[C@@H](C)NC(=O)CSCc1ccc(C(N)=O)cc1
342596866	ZINC000590784419	ref	5.86	-43.97	1	257.337	1.726	2	3	2	Cn1cc(C[N@@H+]2CCc3ccc(O)cc3CC2)cn1
299072290	ZINC000354601965	ref	0.87	-17.73	0	327.425	0.324	3	4	6	C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](CC(N)=O)C1CCOCC1
342596867	ZINC000590784419	mid	5.87	-45.28	1	257.337	1.726	2	3	2	Cn1cc(C[N@H+]2CCc3ccc(O)cc3CC2)cn1
365619107	ZINC000625017471	ref	7.62	-12.95	0	302.422	2.499	1	3	3	Cn1cc([C@@H]2CCN(C(=O)NC[C@@H]3CCCC34CC4)C2)cn1
342596868	ZINC000590784419	high	3.85	-8.18	0	257.337	1.726	1	4	2	Cn1cc(CN2CCc3ccc(O)cc3CC2)cn1
342596869	ZINC000590784379	ref	6.06	-13.35	0	298.39	1.921	1	5	2	Oc1ccc2c(c1)CCN(Cc1nnc3n1CCCC3)CC2
342596870	ZINC000590784379	mid	8.16	-50.39	1	298.39	1.921	2	4	2	Oc1ccc2c(c1)CC[N@@H+](Cc1nnc3n1CCCC3)CC2
365619114	ZINC000625019530	ref	4.22	-12.7	0	315.435	2.396	1	4	6	Cc1ccc(CC[C@@H](C)NS(=O)(=O)[C@@H]2COC(C)(C)C2)o1
342596871	ZINC000590784379	mid	7.98	-48.69	1	298.39	1.921	2	4	2	Oc1ccc2c(c1)CC[N@H+](Cc1nnc3n1CCCC3)CC2
166172879	ZINC000052144922	ref	1.56	-35.65	1	172.272	0.34	1	2	8	C=CCN(C)CC[NH2+]CCOC
365619121	ZINC000625018078	ref	4.24	-11.24	0	317.476	2.414	1	4	6	C[C@@H](CNS(=O)(=O)[C@H]1COC(C)(C)C1)Cc1cccs1
398245736	ZINC000349643065	high	6.91	-54.77	0	237.318	3.2	1	1	6	C[C@@H](CCC1CC1)[NH2+]Cc1cc([O-])cc(F)c1
282123137	ZINC000449155146	mid	3.52	-51.25	1	273.361	2.422	1	4	4	COc1nccc(C[NH2+][C@@H]2CSc3ccccc32)n1
398245739	ZINC000349564582	ref	4.59	-8.17	0	241.375	2.48	2	2	7	CCCC1(C(=O)NCC(C)(C)C[C@H](C)O)CC1
299072292	ZINC000354601813	ref	1.28	-13.11	0	347.389	0.788	1	7	9	COC(=O)c1ccc(S(=O)(=O)NCCCOC[C@@H]2CCOC2)o1
398245733	ZINC000649444109	ref	6.12	-9.1	0	214.268	2.33	0	3	1	Cc1c(-c2ccc3c(c2)OCC3)cnn1C
365619083	ZINC000623042050	ref	5.15	-11.21	0	322.43	1.025	2	4	6	C[C@@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC(Cc2ccsc2)C1
214187577	ZINC000278489320	ref	4.46	-6.53	0	308.403	2.128	2	4	5	COc1cc(SC)ccc1NC(=O)C(=O)NC[C@H]1C[C@H]1C
214187580	ZINC000278489186	ref	5.64	-12.57	0	321.352	2.184	0	6	8	CCCN(CC(=O)OC)Cc1nc(Cc2cccc(F)c2)no1
365619089	ZINC000623040277	ref	1.34	-17.36	0	300.355	1.249	2	3	4	CC1CC(CNC(=O)c2ccc(S(N)(=O)=O)cc2F)C1
365619096	ZINC000623040130	ref	4.67	-12.05	0	301.35	1.452	2	5	4	Cc1c(C(=O)NCC2CC(C)C2)cnn1-c1ccc(=O)[nH]n1
365619104	ZINC000623042035	ref	4.43	-15.08	0	322.43	1.122	1	4	3	CC(=O)N1CCC[C@](O)(C(=O)N2CC(Cc3ccsc3)C2)C1
365619112	ZINC000623040952	ref	6.16	-13.33	0	313.361	1.548	1	5	4	Cc1c(C(=O)N2CC(CC3CC3)C2)cnn1-c1ccc(=O)[nH]n1
365619118	ZINC000623041995	ref	4.72	-15.64	0	313.444	1.574	0	4	3	O=C([C@H]1CCCS(=O)(=O)C1)N1CC(Cc2ccsc2)C1
342080489	ZINC000625323576	low	6.41	-48.7	1	296.172	1.823	1	4	4	C[C@H]([NH2+]Cc1ccncc1Br)c1nncn1C
342080490	ZINC000625324010	ref	-1.51	-10.86	0	271.386	1.163	3	6	6	Cc1nnc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)s1
178304012	ZINC000004535354	ref	6.25	-8.18	0	217.297	2.795	1	3	2	Cc1cc2nc(SCC#N)[nH]c2cc1C
282123143	ZINC000533473268	ref	4.0	-13.06	0	284.331	1.777	1	4	8	CC(C)CO[C@@H](C)C(=O)NCCOc1ncccc1F
365619126	ZINC000623041904	ref	7.88	-12.76	0	320.418	1.831	0	6	6	CN(C)c1noc(CCC(=O)N2CC(Cc3ccsc3)C2)n1
178304016	ZINC000051848185	ref	5.07	-52.96	-1	248.282	1.791	1	5	3	Cc1cc2nc([C@@H](C)O)n(CC(=O)[O-])c2cc1C
178304019	ZINC000070165961	ref	6.62	-53.29	1	230.315	2.07	1	3	3	Cc1cc2ncc(C[NH2+]C3CCCC3)cn2n1
365619136	ZINC000623041232	ref	8.62	-12.27	0	313.405	1.906	0	5	4	CN(C)c1ncnc2c1cc(C(=O)N1CC(CC3CC3)C1)n2C
365619142	ZINC000623041232	mid	8.92	-37.1	1	313.405	1.906	0	4	4	CN(C)c1[nH+]cnc2c1cc(C(=O)N1CC(CC3CC3)C1)n2C
178304020	ZINC000299275446	ref	5.95	-10.06	0	244.298	1.581	0	4	2	Cc1cc2ncc(C(=O)N(C)C3CC3)c(C)n2n1
365619151	ZINC000623042159	ref	4.98	-17.02	0	300.374	1.946	0	3	5	O=C(C1CN(CC(F)F)C1)N1CC(Cc2ccsc2)C1
178304024	ZINC000085400001	ref	6.0	-46.56	-1	205.188	2.381	0	3	1	Cc1cc2nccc(C(=O)[O-])c2cc1F
192037991	ZINC000418429714	ref	3.89	-48.05	1	241.379	1.944	2	1	4	CCC([NH3+])(CC)CNC(=O)N1CC[C@@H](C)[C@H]1C
343994092	ZINC000625559198	ref	0.96	-12.96	0	247.341	1.611	1	4	5	C/C=C\CNS(=O)(=O)c1sccc1OC
343994094	ZINC000625559198	high	0.73	-52.03	-1	247.341	1.611	0	4	5	C/C=C\C[N-]S(=O)(=O)c1sccc1OC
343994096	ZINC000313252934	ref	6.86	-38.73	1	238.419	3.029	1	1	5	CC(C)(C)CCC[NH2+]C1CCN(C2CC2)CC1
342080491	ZINC000625324010	mid	-0.25	-42.52	1	271.386	1.163	3	5	6	Cc1nnc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)s1
343994102	ZINC000313252934	mid	8.81	-102.61	2	238.419	3.029	2	0	5	CC(C)(C)CCC[NH2+]C1CC[NH+](C2CC2)CC1
343994105	ZINC000129384856	ref	5.23	-46.0	1	232.327	2.264	1	1	2	CC[C@@H]([NH3+])C(=O)N1CC[C@H](C)c2ccccc21
365619097	ZINC000121813531	ref	5.77	-10.24	0	290.411	2.453	2	3	5	CCc1nn(C)c(CC)c1CNC(=O)N[C@H]1C=CCCC1
365619101	ZINC000121817711	ref	7.13	-10.08	0	296.371	2.349	1	5	7	Cc1nn(CCC(=O)N[C@@H](C)CC(C)C)c(C)c1[N+](=O)[O-]
365619109	ZINC000121816748	ref	5.17	-9.09	0	290.407	2.399	1	3	5	COCC(C)(C)C(=O)NC[C@H]1CCN(C)c2ccccc21
365619115	ZINC000121815945	ref	5.65	-8.78	0	273.336	2.363	2	2	3	CC[C@@H](C)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12
365619120	ZINC000121820978	ref	7.37	-11.62	0	255.321	2.397	0	3	2	Cn1cccc1C(=O)N1CCC[C@@H]1c1ccncc1
365619127	ZINC000121820129	ref	5.93	-40.43	1	290.407	2.356	1	2	5	COc1ccccc1CCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+]
365619132	ZINC000121817865	ref	5.82	-7.78	0	265.357	2.28	1	4	6	CCCCOC(=O)CN1CCCC[C@@H]1c1cn[nH]c1
259308431	ZINC000356851308	ref	2.19	-8.82	0	241.331	1.245	2	3	6	C=C[C@H](CO)NC(=O)[C@@H]1CCO[C@H](CCC)C1
342080492	ZINC000625324061	ref	2.3	-40.58	1	278.396	1.881	3	3	6	Cc1ccc(C(C)(C)[NH2+]C[C@@H](O)CC2(O)CCC2)cn1
342080493	ZINC000625324061	high	1.16	-7.3	0	278.396	1.881	3	4	6	Cc1ccc(C(C)(C)NC[C@@H](O)CC2(O)CCC2)cn1
342080494	ZINC000625324012	ref	-1.54	-10.63	0	271.386	1.163	3	6	6	Cc1nnc([C@H](C)NC[C@@H](O)CC2(O)CCC2)s1
342080495	ZINC000625324012	mid	-0.26	-42.22	1	271.386	1.163	3	5	6	Cc1nnc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)s1
342080496	ZINC000625324104	ref	4.82	-8.28	0	274.43	1.845	1	2	6	CC(C)CN(C)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080497	ZINC000625324407	ref	4.87	-35.62	1	254.374	1.531	2	2	6	CCO[C@H](C[N@@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1
342080498	ZINC000625324407	mid	4.42	-29.25	1	254.374	1.531	2	2	6	CCO[C@H](C[N@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1
342080499	ZINC000625324407	high	3.15	-6.88	0	254.374	1.531	1	3	6	CCO[C@H](CN1CCCC[C@@]1(C)C(N)=O)C1CC1
342080500	ZINC000625324473	ref	5.71	-12.01	0	259.309	1.552	1	4	2	Cc1cc(C(=O)N[C@H]2CCCOC2)c2nccn2c1
214187581	ZINC000053524383	high	7.56	-71.46	-1	348.366	2.852	2	5	5	O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cccc(NC(=O)C2CC2)c1
342080501	ZINC000625323636	ref	2.88	-29.36	1	251.33	1.684	1	5	4	C[C@@]1(CO)CCCN1Cc1noc(C2CCC2)n1
214187583	ZINC000053524383	high	7.54	-71.49	-1	348.366	2.852	2	5	5	O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cccc(NC(=O)C2CC2)c1
214187587	ZINC000053528160	ref	2.98	-11.22	0	337.395	1.241	1	4	4	O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCOCC1
214187593	ZINC000053552581	ref	5.13	-17.0	0	336.436	2.297	1	5	3	CCOC(=O)N[C@@H]1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1
342080502	ZINC000625323636	low	2.55	-29.55	1	251.33	1.684	2	4	4	C[C@@]1(CO)CCC[N@@H+]1Cc1noc(C2CCC2)n1
214187597	ZINC000053533440	ref	7.64	-14.42	0	349.406	2.535	1	3	5	C[C@@H]1C(=O)N(CC(=O)NCCC(C)(C)C)C(=O)N1c1ccc(F)cc1
214187601	ZINC000053528149	ref	6.6	-9.53	0	349.45	2.641	1	3	4	C[C@@H]1CCCN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)C1
342080503	ZINC000625323636	low	2.88	-29.36	1	251.33	1.684	2	4	4	C[C@@]1(CO)CCC[N@H+]1Cc1noc(C2CCC2)n1
214187607	ZINC000053553084	ref	7.44	-10.21	0	335.408	1.112	2	7	6	Cn1c(NCCCOC2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C
214187611	ZINC000053527885	ref	4.27	-11.54	0	333.432	1.874	1	4	5	COc1ccc([C@@H](CNC(=O)N2CCCC2)N2CCOCC2)cc1
214187615	ZINC000053528983	ref	6.01	-10.32	0	349.45	2.641	1	3	4	CC1CCN(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)CC1
214187621	ZINC000053545045	ref	7.48	-20.05	0	343.362	1.185	1	6	6	C[C@H](CNC(=O)Cn1cnc2ccc(F)cc2c1=O)Cn1cccn1
342080504	ZINC000625323984	ref	2.13	-15.16	0	270.402	1.659	2	5	5	Cc1nnc([C@@H](C)NCC(=O)NCC(C)(C)C)s1
342080505	ZINC000625323984	low	3.32	-46.39	1	270.402	1.659	2	4	5	Cc1nnc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)s1
365619103	ZINC000354671856	ref	4.51	-46.12	1	295.427	1.283	2	2	6	CCC1(CC)CCN(C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1
365619108	ZINC000354671865	ref	2.56	-8.58	0	253.371	1.55	1	4	5	Cc1nc(CN(C)[C@@H](C)C(=O)NC2CC2)cs1
342080506	ZINC000625327258	ref	1.66	-8.66	0	264.391	1.001	1	3	9	C=CC(C)(C)CCNS(=O)(=O)N(C)CCOC
342080507	ZINC000625323749	ref	2.56	-10.42	0	279.34	1.143	1	5	3	O=C(N[C@@H]1CCCOC1)c1ccn(C2CCOCC2)n1
342080508	ZINC000625323644	ref	4.54	-9.58	0	279.311	1.672	1	3	2	O=C(N[C@@H]1CCCOC1)[C@H]1COc2cc(F)ccc2C1
342080509	ZINC000625323725	ref	1.72	-42.31	1	286.173	1.588	2	2	5	CC(C)(CC(N)=O)[NH2+]Cc1ccncc1Br
342596872	ZINC000616980347	ref	7.76	-39.91	1	283.416	1.044	1	2	7	CC[C@H](C)N(CC)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1
197594708	ZINC000290100160	ref	6.48	-40.08	1	290.407	3.191	2	2	4	CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1OC(C)(C)C
342596873	ZINC000616980347	high	5.3	-10.99	0	283.416	1.044	0	3	7	CC[C@H](C)N(CC)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1
365619113	ZINC000354672562	ref	4.45	-47.28	1	289.379	1.5	3	2	5	Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c(C)c1
349535350	ZINC000602430627	ref	6.14	-6.75	0	231.336	1.686	0	4	9	CCC[C@@H](CN(CCC)CC(=O)OC)OC
168364888	ZINC000040407576	low	1.74	-121.84	2	154.213	0.716	2	1	4	C[C@@H]([NH3+])C[NH2+]Cc1ccco1
365619119	ZINC000354672404	ref	4.11	-24.11	0	287.331	1.706	1	2	3	C[C@H](C(=O)N[C@H]1CC[S@](=O)C1)c1ccc(F)c(F)c1
398245734	ZINC000651440474	ref	3.65	-9.14	0	291.376	3.369	0	6	3	CC1(C)C[C@H](c2noc(/C=C\c3cncs3)n2)CCO1
282123146	ZINC000449155468	ref	2.52	-7.85	0	273.361	2.422	1	5	4	COc1nccnc1CN[C@@H]1CSc2ccccc21
214187582	ZINC000337628453	ref	0.02	-18.73	0	255.299	0.051	2	4	5	CS(=O)(=O)CCCNC(=O)c1ccc(C#N)[nH]1
214187586	ZINC000337629291	ref	6.3	-39.27	1	298.333	2.246	2	2	6	C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1
365619123	ZINC000354672708	ref	5.24	-39.96	1	298.427	1.561	2	3	7	C[C@H](CO[C@@H]1CCOC1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C
365619130	ZINC000354672708	mid	5.43	-36.39	1	298.427	1.561	2	3	7	C[C@H](CO[C@@H]1CCOC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C
282123147	ZINC000449155468	low	3.72	-38.88	1	273.361	2.422	1	4	4	COc1nccnc1C[NH2+][C@@H]1CSc2ccccc21
365619138	ZINC000354672467	ref	5.87	-8.91	0	295.383	1.823	1	5	5	COC(=O)[C@@H](C)CC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C
365619147	ZINC000354672615	ref	3.66	-44.91	1	295.427	1.186	3	2	5	C[C@H]1CC(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C[C@H](C)C1
214187590	ZINC000337629291	mid	6.38	-39.42	1	298.333	2.246	2	2	6	C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1
282123148	ZINC000449155942	ref	6.01	-58.5	1	275.364	2.427	1	1	7	C[C@H](C[NH2+]CCC[S@](C)=O)c1cc(F)cc(F)c1
365619153	ZINC000354671898	ref	5.96	-4.61	0	298.427	1.811	1	3	4	CC(C)CN(CC(C)(C)C)C(=O)C(=O)N[C@H]1CCO[C@H]1C
349535353	ZINC000602430627	mid	7.15	-35.98	1	231.336	1.686	1	3	9	CCC[C@@H](C[N@H+](CCC)CC(=O)OC)OC
214187594	ZINC000337629291	high	3.54	-8.11	0	298.333	2.246	1	3	6	C[C@H]1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1
365619159	ZINC000354672140	ref	5.17	-12.49	0	273.764	1.855	1	3	5	COC[C@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C
365619165	ZINC000354672155	ref	3.57	-8.02	0	272.389	1.916	2	3	7	CC(C)CCOCCNC(=O)N[C@H]1CCO[C@H](C)C1
342080510	ZINC000625323725	mid	0.46	-7.9	0	286.173	1.588	2	3	5	CC(C)(CC(N)=O)NCc1ccncc1Br
282123145	ZINC000533471663	ref	3.39	-13.84	0	277.368	1.426	2	3	4	C[C@H](O)[C@H]1CCCN(C(=O)NCCc2ccccn2)C1
282123153	ZINC000533473207	ref	4.89	-9.21	0	281.356	1.845	2	4	3	CC(C)c1cc(NC(=O)N2CCC[C@@H]([C@@H](C)O)C2)no1
365619124	ZINC000641590517	ref	5.56	-12.32	0	281.302	1.881	1	2	4	O=C(CCCc1c(F)cccc1F)N1C[C@H]2C[C@@]2(O)C1
365619134	ZINC000641588803	ref	4.6	-15.72	0	283.331	1.388	1	4	2	Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365619139	ZINC000641588641	ref	3.32	-13.37	0	272.279	1.581	1	3	1	O=C(c1ccc(F)c2ccncc12)N1C[C@H]2C[C@@]2(O)C1
365619149	ZINC000641588694	ref	4.17	-9.15	0	288.278	1.687	1	4	2	O=C(c1cc(-c2ccc(F)cc2)no1)N1C[C@H]2C[C@@]2(O)C1
342080511	ZINC000625324106	ref	4.83	-8.3	0	274.43	1.845	1	2	6	CC(C)CN(C)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
282123654	ZINC000171344219	ref	4.9	-16.6	0	339.355	1.28	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(-c3ccco3)[nH]c1=O)CC2
342080512	ZINC000625324047	ref	3.91	-3.63	0	269.385	1.684	1	3	4	C1CC2(C1)COCC[N@@H+](CCOC1CCOCC1)C2
349535351	ZINC000621496405	ref	8.66	-12.06	0	275.392	3.207	1	2	5	Cc1ccccc1COCC(=O)N[C@@H]1CCC[C@H](C)C1
343994093	ZINC000139414157	ref	3.88	-28.09	1	156.273	1.031	1	1	1	CC[N@@H+]1C[C@H](C)N(C)[C@H](C)C1
282123663	ZINC000171456420	ref	6.55	-16.31	0	309.373	2.121	2	4	2	Cc1ccc2cc(C(=O)N[C@@H]3CCc4nc(C)nn4C3)[nH]c2c1
299072291	ZINC000358087027	high	3.7	-11.36	0	306.406	1.859	2	4	8	CNC(=O)C[C@H](C)NCc1ccc(OC[C@@H]2CCCO2)cc1
365619157	ZINC000641588477	ref	5.66	-11.15	0	293.313	1.98	1	2	2	O=C(N1C[C@@H]2C[C@]2(O)C1)C1(c2c(F)cccc2F)CCC1
365619164	ZINC000641588618	ref	3.59	-12.31	0	273.666	1.825	1	2	1	O=C(c1c(F)ccc(F)c1Cl)N1C[C@@H]2C[C@]2(O)C1
365619171	ZINC000641588590	ref	2.9	-9.72	0	253.323	1.517	1	4	2	CSc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(C)o1
365619179	ZINC000641588483	ref	4.88	-12.05	0	287.359	1.4	1	3	2	O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1C[C@H]2C[C@@]2(O)C1
365619187	ZINC000641588756	ref	4.0	-15.12	0	295.285	1.68	1	3	3	O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1C[C@@H]2C[C@]2(O)C1
349535355	ZINC000621497801	ref	6.24	-9.55	0	274.355	3.3	2	1	4	C[C@@H]1CCC[C@H](NC(=O)NCC[C@@H]2CC2(F)F)CC1
342080513	ZINC000625324047	mid	5.94	-35.68	1	269.385	1.684	1	3	4	C1CC2(C1)COCC[N@H+](CCOC1CCOCC1)C2
365619197	ZINC000641588573	ref	5.25	-11.21	0	297.358	1.333	1	4	4	O=C(c1ccnn1CCc1ccccc1)N1C[C@@H]2C[C@]2(O)C1
365619128	ZINC000625018478	ref	5.11	-15.04	0	315.417	2.426	3	2	5	CNC(=O)c1cccc(CNC(=O)NC[C@H]2CCCC23CC3)c1
214187592	ZINC000278490820	ref	4.69	-42.72	1	304.39	1.671	2	3	8	CCC(CC)(CO)C[NH2+]CCN1C(=O)c2ccccc2C1=O
342596874	ZINC000616980398	ref	5.24	-15.64	0	280.368	1.899	1	4	6	CC[C@@H](C)N(CC)C(=O)CCn1c(C)cc(O)cc1=O
306234463	ZINC000557844139	mid	5.72	-42.58	1	349.456	1.985	1	4	7	COCc1ccccc1CS(=O)(=O)NCc1c[nH+]c2n1CCCC2
342596875	ZINC000590783892	ref	3.74	-49.59	1	283.393	1.964	1	4	5	CS(=O)(=O)CCCN1CCC[C@@H]1c1ccc(O)cc1
342596876	ZINC000590783892	mid	3.02	-46.65	1	283.393	1.964	2	3	5	CS(=O)(=O)CCC[N@@H+]1CCC[C@@H]1c1ccc(O)cc1
214187596	ZINC000278490628	ref	6.34	-8.49	0	322.412	3.166	2	5	6	Cc1ccc(CNc2cc(-c3cccnc3)nn2CCO)cc1C
342596877	ZINC000590783892	mid	3.74	-49.59	1	283.393	1.964	2	3	5	CS(=O)(=O)CCC[N@H+]1CCC[C@@H]1c1ccc(O)cc1
178304029	ZINC000038537239	ref	5.8	-8.34	0	239.072	2.218	0	3	1	Cc1cc2ncc(C=O)n2cc1Br
178304031	ZINC000095756282	ref	6.04	-5.57	0	212.05	1.8	0	3	0	Cc1cc2ncc(Br)n2cn1
178304033	ZINC000070165352	ref	5.1	-53.31	1	246.314	1.306	1	4	4	Cc1cc2ncc(C[NH2+]C[C@@H]3CCCO3)cn2n1
342596878	ZINC000616980327	ref	8.26	-19.31	0	276.34	1.143	0	5	5	CC[C@@H](C)N(CC)C(=O)Cn1nc2ccccn2c1=O
178304034	ZINC000070165352	high	3.66	-10.26	0	246.314	1.306	1	5	4	Cc1cc2ncc(CNC[C@@H]3CCCO3)cn2n1
342596879	ZINC000590784126	ref	4.47	-53.27	1	285.413	1.034	0	5	5	Cn1cc([C@@H]2CCCN(CCCS(C)(=O)=O)C2)cn1
342596880	ZINC000590784126	mid	4.94	-52.55	1	285.413	1.034	1	4	5	Cn1cc([C@@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)cn1
214187603	ZINC000278490596	ref	9.18	-100.75	2	310.388	3.252	2	1	7	FC(F)Oc1ccccc1C[NH2+]CC1CC[NH+](C2CC2)CC1
214187606	ZINC000278490596	high	7.91	-34.32	1	310.388	3.252	2	2	7	FC(F)Oc1ccccc1CNCC1CC[NH+](C2CC2)CC1
214187610	ZINC000278490432	ref	4.1	-11.19	0	309.357	2.962	2	3	6	CC[C@@H](C)[C@@H](NC(=O)NCCc1nccs1)C(F)(F)F
214187614	ZINC000278490186	ref	6.31	-9.85	0	307.371	3.005	0	6	6	COC[C@H](OC(=O)c1ccc(C)c(OC)c1)c1nccs1
178304036	ZINC000035201085	ref	0.91	-11.67	0	248.286	0.458	2	5	4	Cc1cc2ncc(C(=O)NCCCO)c(C)n2n1
349535352	ZINC000621242950	low	5.12	-34.24	1	273.34	2.001	3	3	4	NC(=O)c1c[nH]c2nc[nH+]c(NCC3CCCCC3)c12
342596881	ZINC000590784126	mid	4.47	-53.27	1	285.413	1.034	1	4	5	Cn1cc([C@@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)cn1
365619131	ZINC000625018911	ref	5.4	-10.16	0	320.418	2.076	0	5	3	C[C@@H]1CCCN(S(=O)(=O)c2cnnn2-c2ccccc2)[C@@H]1C
214187598	ZINC000337631249	ref	3.98	-9.04	0	274.368	2.047	2	5	7	CCC(CC)(CCO)CNc1ncnc2ccncc12
342080514	ZINC000625324047	high	3.91	-3.63	0	269.385	1.684	0	4	4	C1CC2(C1)COCCN(CCOC1CCOCC1)C2
343994095	ZINC000139414157	mid	4.06	-29.97	1	156.273	1.031	1	1	1	CC[N@H+]1C[C@H](C)N(C)[C@H](C)C1
343994097	ZINC000139414157	mid	3.46	-28.64	1	156.273	1.031	1	1	1	CCN1C[C@H](C)[N@H+](C)[C@H](C)C1
343994098	ZINC000139414157	mid	3.88	-28.09	1	156.273	1.031	1	1	1	CCN1C[C@H](C)[N@@H+](C)[C@H](C)C1
365619141	ZINC000625019231	ref	4.29	-41.05	1	318.389	2.034	2	2	3	Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(F)c1F
365619144	ZINC000625019231	mid	4.68	-40.6	1	318.389	2.034	2	2	3	Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(F)c1F
214187600	ZINC000337630189	ref	1.87	-16.42	0	297.355	-0.035	1	6	7	CN(CCOCCO)C(=O)[C@@H]1CCO[C@H]1c1cnn(C)c1
214187605	ZINC000337630843	ref	2.99	-9.51	0	286.372	0.245	1	4	8	C[C@H](CC(=O)N(C)CCOCCO)N1CCCCC1=O
365619148	ZINC000625019231	mid	2.37	-9.69	0	318.389	2.034	1	3	3	Cc1ccc(S(=O)(=O)N[C@@H]2CCN(C)[C@H](C)C2)c(F)c1F
365619150	ZINC000625019231	high	2.68	-47.15	-1	318.389	2.034	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@@H]2CCN(C)[C@H](C)C2)c(F)c1F
342080515	ZINC000625324188	ref	1.67	-11.52	0	279.402	1.147	1	4	8	COCC[C@@H](C)S(=O)(=O)NCC[C@@H]1CCCOC1
342080516	ZINC000625323737	ref	2.87	-10.52	0	263.403	1.769	1	3	7	CC(C)CCS(=O)(=O)NCC[C@@H]1CCCOC1
365619156	ZINC000625018846	ref	7.62	-18.01	0	317.437	2.28	1	4	4	O=C(NC[C@@H]1CCCC12CC2)N1CCC(Cn2ccnn2)CC1
214187609	ZINC000337631904	ref	5.67	-7.73	0	276.315	2.207	2	3	5	CC(C)CCc1cc(NC(=O)c2ccc(F)cn2)n[nH]1
214187613	ZINC000337630242	ref	4.98	-14.89	0	285.307	0.398	1	6	5	O=C1CCC(=O)N1CCCNc1ncnc2ccncc12
342080517	ZINC000625324275	ref	5.37	-45.62	1	296.333	1.802	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H]1CCOC1
342080518	ZINC000625324468	ref	2.46	-12.79	0	264.329	1.001	0	5	4	CCN1CCN(Cc2noc(C3CCC3)n2)CC1=O
192037993	ZINC000418461604	ref	4.27	-51.48	1	247.408	1.364	2	2	7	CC[C@@H](CSC)N(C)C(=O)NC[C@@H](C)C[NH3+]
214187617	ZINC000337630421	ref	2.17	-45.72	1	291.417	-0.145	2	3	6	CC[NH+](CC)CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1
342080519	ZINC000625323662	ref	6.57	-51.39	1	288.391	1.627	2	2	3	C[N@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)N[C@H]2CCCOC2)C1
346818835	ZINC000589954091	ref	10.51	-9.17	0	275.351	3.225	1	1	2	C[C@H]1C[C@H]1NC(=O)c1ccc(C#Cc2ccccc2)cc1
365619140	ZINC000121817865	low	7.36	-34.62	1	265.357	2.28	2	3	6	CCCCOC(=O)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1
365619145	ZINC000121817865	low	7.87	-36.01	1	265.357	2.28	2	3	6	CCCCOC(=O)C[N@H+]1CCCC[C@@H]1c1cn[nH]c1
346818838	ZINC000601317133	low	9.18	-53.01	1	283.375	2.418	1	2	2	N#C[C@H]1CCC[C@H]([N@H+]2CCN(c3ccccc3)C(=O)C2)C1
365619152	ZINC000121814778	ref	4.57	-14.69	0	284.315	2.081	1	4	3	O=C(c1ccccc1O)N1CC[C@@H](Oc2ccncc2)C1
282123149	ZINC000449155473	ref	4.71	-11.12	0	285.322	2.048	2	3	4	O=C(Cc1ccc2c(c1)NCC2)NCc1ccc(F)cn1
346818842	ZINC000601317133	low	9.19	-53.61	1	283.375	2.418	1	2	2	N#C[C@H]1CCC[C@H]([N@@H+]2CCN(c3ccccc3)C(=O)C2)C1
365619161	ZINC000121814778	low	5.03	-43.99	1	284.315	2.081	1	3	3	O=C(c1ccccc1O)N1CC[C@@H](Oc2cc[nH+]cc2)C1
365619166	ZINC000121814778	high	5.52	-60.11	-1	284.315	2.081	0	4	3	O=C(c1ccccc1[O-])N1CC[C@@H](Oc2ccncc2)C1
365619174	ZINC000121815685	ref	6.41	-15.53	0	277.311	2.127	1	3	5	CCOC(=O)[C@H](C)CNC(=O)C1CCC(F)(F)CC1
365619182	ZINC000121816593	ref	5.16	-9.13	0	290.407	2.399	1	3	5	COCC(C)(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21
365619188	ZINC000121820646	ref	6.7	-30.69	1	291.439	2.323	1	3	7	CCC[C@H]1CN(Cc2ccc(C)cn2)CC[N@@H+]1CCOC
365619193	ZINC000121820646	mid	6.78	-30.96	1	291.439	2.323	1	3	7	CCC[C@H]1CN(Cc2ccc(C)cn2)CC[N@H+]1CCOC
365619200	ZINC000121820646	high	4.44	-5.28	0	291.439	2.323	0	4	7	CCC[C@H]1CN(Cc2ccc(C)cn2)CCN1CCOC
365619204	ZINC000121816460	ref	8.02	-32.12	1	282.428	2.278	1	3	5	CCCOC(=O)[C@@H](C)N1CCC[C@H]([NH+]2CCCC2)CC1
365619213	ZINC000121816760	ref	7.4	-39.92	1	270.38	2.179	1	3	4	Cn1cccc1C[NH2+][C@H]1CCCN(c2ccccn2)C1
365619222	ZINC000121820447	ref	6.52	-31.63	1	290.407	2.356	1	2	5	COc1ccccc1CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+]
178304040	ZINC000013538764	ref	8.04	-8.75	0	249.317	3.99	1	3	2	Cc1cc2ncc(Nc3ccccc3)nc2cc1C
214187618	ZINC000278490063	ref	4.49	-18.6	0	312.782	1.637	0	6	3	O=S(=O)(Cc1nnc2n1CCCC2)c1ccc(Cl)cn1
214187623	ZINC000278489396	ref	1.47	-15.78	0	322.477	1.149	0	5	2	Cc1nc(C)c(S(=O)(=O)N2CC[S@](=O)C[C@H](C)C2)s1
214187626	ZINC000278489561	ref	3.85	-6.37	0	303.749	2.61	1	4	2	Cc1ccc2c(c1C)OC[C@@H]2NC(=O)c1cnc(Cl)cn1
365619232	ZINC000121817027	ref	3.68	-6.92	0	278.4	2.243	2	3	7	CCCCCNC(=O)CN1CCCC[C@H]1c1cn[nH]c1
365639526	ZINC000175986192	ref	2.44	-6.73	0	244.379	2.415	3	2	9	CCCC[C@@H](CCC)NC(=O)N[C@H](CC)CO
214187620	ZINC000337630421	high	0.15	-22.35	0	291.417	-0.145	1	4	6	CCN(CC)CC(=O)N1CCC[C@@H](CS(N)(=O)=O)C1
214187622	ZINC000337631690	ref	5.49	-11.03	0	269.316	2.266	1	3	7	CC[C@H](C)OCC(=O)NCc1ccc(OC)cc1F
342080520	ZINC000625323662	mid	6.73	-46.76	1	288.391	1.627	2	2	3	C[N@@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)N[C@H]2CCCOC2)C1
214187627	ZINC000337630045	ref	7.61	-11.75	0	284.363	3.176	1	4	5	O=C(CCC1CCCC1)Nc1cnccc1-n1cccn1
343994104	ZINC000139348618	ref	4.1	-3.38	0	177.247	2.452	1	2	4	C=C[C@@H](C)N(O)Cc1ccccc1
214187630	ZINC000337630045	mid	8.06	-36.15	1	284.363	3.176	1	3	5	O=C(CCC1CCCC1)Nc1c[nH+]ccc1-n1cccn1
349535356	ZINC000602430627	mid	7.2	-37.59	1	231.336	1.686	1	3	9	CCC[C@@H](C[N@@H+](CCC)CC(=O)OC)OC
349535359	ZINC000258901692	ref	8.8	-47.12	1	228.339	3.005	1	1	4	Cc1cc(C)c(C[NH2+]CC2(C#N)CC2)c(C)c1
342080521	ZINC000625323728	ref	3.68	-9.24	0	296.333	1.634	2	2	7	CCCN(CC(F)(F)F)C(=O)C[N@H+](C)CC1(O)CCC1
365619154	ZINC000274306649	ref	0.36	-10.97	0	298.408	1.488	3	4	4	C[C@]1(CNS(=O)(=O)c2ccccc2N)CCCC[C@@H]1O
214187633	ZINC000337631828	ref	6.17	-40.34	1	267.417	2.35	3	1	6	C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CCC1
214187636	ZINC000337631828	mid	6.49	-39.74	1	267.417	2.35	3	1	6	C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC1CCC1
214187640	ZINC000337628417	ref	5.8	-41.92	1	296.455	2.166	3	2	4	C[NH+]1CCC(O)(CNC(=O)CC2CCC(C)(C)CC2)CC1
282123159	ZINC000151690698	ref	5.37	-17.42	0	314.411	2.2	2	6	5	COC(=O)CCc1nnc(NC(=O)N[C@H](C)C(C)(C)C)s1
282123164	ZINC000151684744	ref	3.87	-45.3	1	310.463	2.455	2	4	5	CC(C)c1csc([C@H]2CCC[N@H+](CC3(CO)COC3)C2)n1
214187644	ZINC000337628417	high	3.43	-8.31	0	296.455	2.166	2	3	4	CN1CCC(O)(CNC(=O)CC2CCC(C)(C)CC2)CC1
214187647	ZINC000337631331	ref	2.43	-18.39	0	275.234	0.462	2	5	3	Cn1cc2c(=NCC[C@@H](O)C(F)(F)F)ncnc-2[nH]1
214187651	ZINC000337630134	ref	9.34	-40.12	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12
214187654	ZINC000337630134	mid	8.72	-38.34	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12
342080522	ZINC000625323728	mid	5.47	-39.12	1	296.333	1.634	2	2	7	CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)CC1(O)CCC1
133428542	ZINC000306470875	ref	7.09	-30.68	1	151.253	2.047	1	0	3	C=CCC[N@@H+]1C[C@H]2CCC[C@H]21
133428543	ZINC000306470875	mid	6.73	-30.66	1	151.253	2.047	1	0	3	C=CCC[N@H+]1C[C@H]2CCC[C@H]21
342080523	ZINC000625323728	mid	3.68	-9.24	0	296.333	1.634	1	3	7	CCCN(CC(F)(F)F)C(=O)CN(C)CC1(O)CCC1
185386268	ZINC000096753332	ref	8.42	-12.97	0	314.429	2.711	1	2	5	CC(C)CNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1
346818839	ZINC000067766655	ref	4.99	-9.51	0	298.814	2.697	1	3	8	CCCCNC(=O)CN(C)Cc1cc(Cl)ccc1OC
365619160	ZINC000623041502	ref	8.03	-38.34	1	314.429	1.882	2	2	5	O=C(N1CC(CC2CC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1
343994107	ZINC000139312175	ref	0.38	-38.44	-1	154.169	-0.31	0	3	0	Cc1c(C)c(=O)n(C)[n-]c1=O
342080524	ZINC000625323624	ref	3.52	-14.68	0	294.355	1.828	1	5	5	CCN(C)C(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1
185386269	ZINC000096751417	ref	4.55	-14.22	0	323.352	2.276	2	4	3	CN1C(=O)COc2ccc(NC(=O)/C=C/c3ccc(N)cc3)cc21
365619167	ZINC000623041502	mid	8.03	-37.87	1	314.429	1.882	2	2	5	O=C(N1CC(CC2CC2)C1)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1
349536172	ZINC000602431471	ref	5.7	-37.3	1	239.363	1.189	1	3	6	C[C@@H](CCC#N)CN1CCO[C@H](C[NH+](C)C)C1
398245735	ZINC000650859483	ref	5.36	-40.61	1	283.416	1.443	3	2	7	C[C@H](COCC1CC1)NC(=O)NC[C@H]1CCC[N@H+](C)C1
342080525	ZINC000625323872	ref	0.05	-43.51	-1	256.733	1.789	3	2	5	CC(C)(CC(N)=O)[NH2+]Cc1cc(O)ccc1Cl
365619173	ZINC000623041502	high	5.49	-9.63	0	314.429	1.882	1	3	5	O=C(N1CC(CC2CC2)C1)[C@@]1(O)CCN(Cc2ccccc2)C1
365619180	ZINC000623041847	ref	6.59	-15.6	0	318.446	1.785	0	5	5	CN(C)[C@@H](C(=O)N1CC(Cc2ccsc2)C1)c1cncn1C
365619189	ZINC000623041847	low	7.99	-39.47	1	318.446	1.785	0	4	5	CN(C)[C@@H](C(=O)N1CC(Cc2ccsc2)C1)c1c[nH+]cn1C
398245740	ZINC000650859483	mid	5.8	-39.96	1	283.416	1.443	3	2	7	C[C@H](COCC1CC1)NC(=O)NC[C@H]1CCC[N@@H+](C)C1
214187625	ZINC000053528157	ref	3.55	-10.67	0	337.395	1.241	1	4	4	O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)N1CCOCC1
365619196	ZINC000623042048	ref	5.01	-10.73	0	322.43	1.025	2	4	6	C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)N1CC(Cc2ccsc2)C1
342080526	ZINC000625323872	mid	-0.66	-7.56	0	256.733	1.789	3	3	5	CC(C)(CC(N)=O)NCc1cc(O)ccc1Cl
365619208	ZINC000623041561	ref	3.43	-15.37	0	308.403	1.515	1	3	4	Cc1cc(C(=O)N2CC(CC3CC3)C2)ccc1S(N)(=O)=O
342080527	ZINC000625323872	high	0.05	-43.51	-1	256.733	1.789	2	3	5	CC(C)(CC(N)=O)NCc1cc([O-])ccc1Cl
342080528	ZINC000625324189	ref	1.48	-11.56	0	279.402	1.147	1	4	8	COCC[C@H](C)S(=O)(=O)NCC[C@H]1CCCOC1
342080529	ZINC000625323405	ref	0.64	-7.46	0	278.356	1.567	1	5	4	C[C@@]1(C(N)=O)CCCCN1Cc1noc(C2CCC2)n1
342080530	ZINC000625323857	ref	3.61	-9.03	0	292.445	1.759	1	3	9	CCCN(CCC)S(=O)(=O)NCC[C@H]1CCCOC1
365619162	ZINC000625017794	ref	7.44	-10.98	0	318.425	2.475	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCCCCC1
282123152	ZINC000248977977	mid	3.12	-37.9	1	314.813	1.651	4	3	7	Cc1ccc(Cl)cc1NC(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO
342596882	ZINC000590784610	ref	7.3	-54.82	1	284.359	1.655	2	3	3	O=c1ccccn1CC[N@H+]1CCc2ccc(O)cc2CC1
282123155	ZINC000248978865	ref	2.76	-9.27	0	302.484	1.33	0	4	5	CCC1(CC)CN([C@H](C)CN2CCOCC2)CC[S@@]1=O
282123158	ZINC000248978865	mid	4.9	-50.14	1	302.484	1.33	1	3	5	CCC1(CC)C[N@@H+]([C@H](C)CN2CCOCC2)CC[S@@]1=O
365619169	ZINC000625019395	ref	4.65	-10.71	0	309.431	2.204	1	3	4	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)CO1
365619177	ZINC000625019398	ref	4.78	-10.68	0	309.431	2.204	1	3	4	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2C[C@]2(C)c2ccccc2)CO1
365619184	ZINC000625020110	ref	6.59	-10.8	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](C)[C@@H]1C
214187628	ZINC000053521167	ref	5.43	-17.79	0	345.399	1.884	2	4	6	O=C(CNC(=O)C1CCCC1)Nc1cccc(CN2CCOC2=O)c1
365619190	ZINC000625017605	ref	4.97	-8.64	0	301.452	2.442	1	3	4	CC1(C)C[C@H](S(=O)(=O)N[C@H]2C[C@H]2C2CCCCC2)CO1
349535357	ZINC000621243750	ref	5.36	-13.91	0	285.351	2.311	3	4	5	NC(=O)c1c[nH]c2ncnc(NCCC3=CCCCC3)c12
342596883	ZINC000590784610	mid	7.3	-50.56	1	284.359	1.655	2	3	3	O=c1ccccn1CC[N@@H+]1CCc2ccc(O)cc2CC1
349536175	ZINC000602431471	low	7.7	-107.07	2	239.363	1.189	2	2	6	C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](C[NH+](C)C)C1
365619198	ZINC000625018113	ref	3.3	-10.44	0	313.41	2.402	1	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](C)[C@H]1CCOC1
365619203	ZINC000625017601	ref	4.98	-9.0	0	301.452	2.442	1	3	4	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2C[C@@H]2C2CCCCC2)CO1
365619210	ZINC000625018915	ref	5.27	-10.94	0	320.418	2.076	0	5	3	C[C@H]1CCCN(S(=O)(=O)c2cnnn2-c2ccccc2)[C@H]1C
365619216	ZINC000625017840	ref	9.78	-11.69	0	313.401	2.336	0	4	5	CCOc1cccc(CCC(=O)N2CCc3c(ncn3C)C2)c1
342596884	ZINC000590784610	high	5.41	-15.05	0	284.359	1.655	1	4	3	O=c1ccccn1CCN1CCc2ccc(O)cc2CC1
342596885	ZINC000590783302	ref	4.38	-8.94	0	251.355	1.171	2	4	6	CSCCNc1ccc(C(=O)NC2CC2)cn1
178304043	ZINC000104281847	ref	7.15	-52.73	1	246.358	2.562	1	3	5	Cc1cc2ncc(C[NH2+][C@H](C)CC(C)C)cn2n1
323004637	ZINC000531121274	ref	2.47	-9.0	0	240.347	1.18	1	3	7	C=CCCCC(=O)NCCN1CCO[C@H](C)C1
342596886	ZINC000616980254	ref	6.65	-11.75	0	267.369	1.875	0	3	4	CC[C@H](C)N(CC)C(=O)C1C[C@H]2COC[C@@H](C1)C2=O
365619163	ZINC000274304011	ref	3.82	-15.67	0	294.326	1.427	2	3	6	NC(=O)[C@H](NC(=O)COC1CCCC1)c1ccc(F)cc1
342080531	ZINC000625323642	ref	4.52	-9.56	0	279.311	1.672	1	3	2	O=C(N[C@H]1CCCOC1)[C@@H]1COc2cc(F)ccc2C1
365619172	ZINC000274306762	ref	7.32	-10.97	0	293.367	1.912	1	4	2	Cc1nc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c[nH]1
365619178	ZINC000274306762	mid	6.99	-12.52	0	293.367	1.912	1	4	2	Cc1ncc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)[nH]1
365619185	ZINC000274306606	ref	4.53	-9.12	0	279.292	1.595	1	5	5	COC(=O)C1(C(=O)Nc2ccc(OC)cc2OC)CC1
365619194	ZINC000274307368	ref	5.68	-47.06	1	290.367	1.586	2	5	4	CC[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C[C@@H]1O
365619201	ZINC000274307368	mid	5.54	-45.86	1	290.367	1.586	2	5	4	CC[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)C[C@@H]1O
365619205	ZINC000274307368	high	2.64	-9.23	0	290.367	1.586	1	6	4	CC[C@@H]1CN(Cc2cc(-c3cnn(C)c3C)no2)C[C@@H]1O
365619212	ZINC000274304010	ref	3.83	-15.53	0	294.326	1.427	2	3	6	NC(=O)[C@@H](NC(=O)COC1CCCC1)c1ccc(F)cc1
365619221	ZINC000274307034	ref	2.64	-15.68	0	292.335	1.945	2	4	6	COCCCC(=O)Nc1cc2c(cc1OC)CCC(=O)N2
365619229	ZINC000274305365	ref	2.18	-11.96	0	294.424	1.054	0	5	4	C[C@H](c1nccs1)N1CCN(CC(=O)N2CCC2)CC1
282123154	ZINC000449155266	ref	6.69	-55.27	1	285.395	2.368	2	3	4	c1cc(C[NH2+][C@H]2CCc3n[nH]cc3C2)n(C2CCCC2)n1
342080532	ZINC000625324004	ref	4.61	-39.98	1	282.306	1.242	1	3	6	CCCN(CC(F)(F)F)C(=O)CN(C)C1CC(O)C1
342080533	ZINC000625324004	mid	4.62	-38.55	1	282.306	1.242	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+](C)C1CC(O)C1
342080534	ZINC000625324004	mid	4.61	-39.98	1	282.306	1.242	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+](C)C1CC(O)C1
342080535	ZINC000625323962	ref	-0.87	-11.73	0	265.342	1.496	1	7	5	COc1cncc(CN[C@@H](C)c2nnc(C)s2)n1
342080536	ZINC000625323379	ref	6.32	-47.77	1	276.327	1.425	2	2	7	C=C(C)C[NH+]1CCC(NC(=O)COCC(F)F)CC1
342080537	ZINC000625323379	high	3.9	-15.62	0	276.327	1.425	1	3	7	C=C(C)CN1CCC(NC(=O)COCC(F)F)CC1
342080538	ZINC000625323917	ref	7.01	-15.29	0	286.335	1.235	1	5	4	O=C(N[C@H]1CCCOC1)c1cccc(Cn2cncn2)c1
342080539	ZINC000625323410	ref	-2.74	-9.16	0	254.33	1.3	3	5	6	Cc1cnc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)o1
342080540	ZINC000625323410	mid	-1.45	-39.8	1	254.33	1.3	3	4	6	Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)o1
342080541	ZINC000625323351	ref	6.37	-10.68	0	257.333	1.867	1	2	2	O=C(N[C@@H]1CCCOC1)[C@H]1[C@H]2c3ccccc3C[C@H]21
214187631	ZINC000278490500	ref	4.63	-12.99	0	316.741	1.948	1	5	7	COC[C@@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC
342080542	ZINC000625324011	ref	-0.19	-10.24	0	271.386	1.163	3	6	6	Cc1nnc([C@H](C)NC[C@H](O)CC2(O)CCC2)s1
342080543	ZINC000625324011	mid	1.02	-42.14	1	271.386	1.163	3	5	6	Cc1nnc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)s1
342080544	ZINC000625323380	ref	1.63	-39.0	1	279.34	1.453	2	4	5	C=C(C)C[NH+]1CCC(NC(=O)c2coc(OC)n2)CC1
214187635	ZINC000278490871	ref	2.88	-8.95	0	323.755	1.85	2	4	6	O=C(NC[C@H](CO)Cc1ccc(F)cc1)c1cnc(Cl)cn1
342080545	ZINC000625323380	high	-0.8	-6.88	0	279.34	1.453	1	5	5	C=C(C)CN1CCC(NC(=O)c2coc(OC)n2)CC1
214187637	ZINC000278489146	ref	4.98	-42.4	1	302.296	2.762	1	3	6	FC(F)(F)c1cccc(OCC[NH2+]C[C@H]2CCC=CO2)n1
361823573	ZINC000612425776	ref	3.49	-12.6	0	319.405	2.46	3	4	6	CC[C@@H](C)[C@H](O)CNC(=O)c1ccc2[nH]c(=O)n(C(C)C)c2c1
343994109	ZINC000139312175	low	1.16	-8.18	0	154.169	-0.31	1	3	0	Cc1c(C)c(=O)n(C)[nH]c1=O
342080546	ZINC000625323787	ref	1.64	-10.22	0	271.386	1.693	1	6	6	Cc1nnc([C@H](C)NCCOC2CCOCC2)s1
342080547	ZINC000625323787	mid	2.93	-41.71	1	271.386	1.693	1	5	6	Cc1nnc([C@H](C)[NH2+]CCOC2CCOCC2)s1
342080548	ZINC000625323575	ref	5.19	-13.86	0	296.172	1.823	1	5	4	C[C@@H](NCc1ccncc1Br)c1nncn1C
342080549	ZINC000625323575	low	6.4	-46.42	1	296.172	1.823	1	4	4	C[C@@H]([NH2+]Cc1ccncc1Br)c1nncn1C
214187641	ZINC000278489353	ref	4.4	-15.86	0	319.34	1.272	0	6	5	O=C(CCn1ccnn1)N1CCC(Oc2ncccc2F)CC1
214187645	ZINC000278489246	ref	6.6	-43.03	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12
214187648	ZINC000278489246	mid	6.0	-39.75	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12
342080550	ZINC000625323985	ref	2.1	-14.94	0	270.402	1.659	2	5	5	Cc1nnc([C@H](C)NCC(=O)NCC(C)(C)C)s1
342080551	ZINC000625323985	low	3.32	-46.31	1	270.402	1.659	2	4	5	Cc1nnc([C@H](C)[NH2+]CC(=O)NCC(C)(C)C)s1
349535360	ZINC000621495847	ref	6.99	-7.68	0	283.803	3.255	1	3	4	CCC1CCC(NC(=O)c2c(Cl)cnn2CC)CC1
349535364	ZINC000621496584	ref	9.06	-11.31	0	275.392	3.207	1	2	5	Cc1cccc(COCC(=O)N[C@@H]2CCC[C@@H](C)C2)c1
349535367	ZINC000621496403	ref	8.66	-12.07	0	275.392	3.207	1	2	5	Cc1ccccc1COCC(=O)N[C@H]1CCC[C@@H](C)C1
349535371	ZINC000621497105	ref	6.7	-8.9	0	274.355	3.156	2	1	4	C[C@@H]1CC[C@H](NC(=O)NCC[C@H]2CC2(F)F)C[C@H]1C
349535374	ZINC000621497108	ref	7.79	-9.11	0	294.439	3.022	1	2	5	CC(C)C[C@@H]1C[C@H](NC(=O)N2CC(CC3CC3)C2)CCO1
365619170	ZINC000354671862	ref	2.58	-10.24	0	253.371	1.55	1	4	5	Cc1nc(CN(C)[C@H](C)C(=O)NC2CC2)cs1
365619176	ZINC000354671858	ref	4.5	-46.2	1	295.427	1.283	2	2	6	CCC1(CC)CCN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1
342596887	ZINC000590783899	ref	5.35	-47.21	1	270.398	1.727	0	4	7	CC(C)N(CCCS(C)(=O)=O)Cc1ccccn1
197594745	ZINC000162834591	ref	5.54	-10.93	0	311.378	2.181	0	4	2	COc1ccc(C(=O)N2CCS[C@@H]3COCC[C@H]32)c(F)c1
365619181	ZINC000367178391	ref	2.2	-14.14	0	296.396	1.493	1	6	5	CO[C@H](C)c1nsc(N2CCC[C@@H]2C(=O)NC2CC2)n1
342596888	ZINC000590783899	low	4.42	-45.91	1	270.398	1.727	1	3	7	CC(C)[N@H+](CCCS(C)(=O)=O)Cc1ccccn1
365619186	ZINC000354671642	ref	5.9	-19.22	0	293.33	1.97	1	4	3	O=C(c1cc[nH]c1)N1CC(n2cc(-c3ccccc3)nn2)C1
342596889	ZINC000590783899	low	5.35	-47.21	1	270.398	1.727	1	3	7	CC(C)[N@@H+](CCCS(C)(=O)=O)Cc1ccccn1
342596890	ZINC000590784177	ref	5.67	-10.37	0	258.325	1.084	2	4	3	Oc1ccc2c(c1)CC[N@@H+](CCn1cncn1)CC2
197594752	ZINC000162824921	ref	7.39	-14.95	0	318.398	1.67	0	5	3	N#Cc1ccc(OCC(=O)N2CCS[C@@H]3COCC[C@H]32)cc1
197594755	ZINC000162831818	ref	5.87	-9.03	0	309.431	2.539	1	3	4	Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1
342596891	ZINC000590784177	mid	7.63	-52.32	1	258.325	1.084	2	4	3	Oc1ccc2c(c1)CC[N@H+](CCn1cncn1)CC2
342596892	ZINC000590784177	high	5.67	-10.37	0	258.325	1.084	1	5	3	Oc1ccc2c(c1)CCN(CCn1cncn1)CC2
342596893	ZINC000616980345	ref	7.76	-39.49	1	283.416	1.044	1	2	7	CC[C@@H](C)N(CC)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1
168364889	ZINC000308935571	ref	4.27	-50.5	1	212.337	1.679	2	1	5	CCC(CC)C[NH2+][C@H]1CCC(=O)N[C@H]1C
168364892	ZINC000125723417	ref	4.15	-36.86	1	201.354	2.419	2	1	8	CCC(CC)C[NH2+][C@H](CCO)C(C)C
342596894	ZINC000616980345	high	5.31	-10.76	0	283.416	1.044	0	3	7	CC[C@@H](C)N(CC)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1
136229332	ZINC000293014817	mid	6.42	-35.71	1	221.275	1.814	2	1	4	CC#CC[N@H+](C)C[C@@H](O)c1ccccc1F
342596895	ZINC000590784814	ref	5.49	-13.38	0	286.379	1.684	1	5	3	CCc1nnc(CN2CCc3ccc(O)cc3CC2)n1C
178304047	ZINC000005541725	ref	6.35	-11.3	0	218.281	2.399	0	4	0	Cc1cc2nc3n(c2cc1C)C(=O)CS3
168364897	ZINC000019950874	ref	7.28	-4.98	0	202.301	3.406	1	2	5	CCC(CC)CNc1ccc(C#N)cc1
349535361	ZINC000621243750	low	5.72	-33.58	1	285.351	2.311	3	3	5	NC(=O)c1c[nH]c2nc[nH+]c(NCCC3=CCCCC3)c12
342596896	ZINC000590784814	mid	7.57	-50.57	1	286.379	1.684	2	4	3	CCc1nnc(C[N@@H+]2CCc3ccc(O)cc3CC2)n1C
178304048	ZINC000281372342	ref	3.62	-11.8	0	236.25	1.045	1	4	3	Cc1cc2ncc(C(=O)NCCF)c(C)n2n1
178304053	ZINC000038612147	ref	10.42	-2.7	0	231.383	4.609	0	1	0	Cc1cc2nc(c1)CCCCCCCCCC2
178304056	ZINC000038612147	mid	10.65	-24.5	1	231.383	4.609	0	0	0	Cc1cc2[nH+]c(c1)CCCCCCCCCC2
178304059	ZINC000037433482	ref	3.5	-42.2	-1	248.242	0.161	1	6	3	Cc1cc2ncc(C(=O)NCC(=O)[O-])c(C)n2n1
365619192	ZINC000354673090	ref	7.05	-14.8	0	272.414	1.597	0	3	6	CCSCC[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)N1C
168366177	ZINC000043334705	ref	2.77	-40.61	1	194.278	1.762	1	2	4	C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C1CC1
398245737	ZINC000651432171	ref	7.24	-10.06	0	290.417	3.28	0	6	4	CCc1nc(SCc2cnn(C)c2)c2ccsc2n1
365619199	ZINC000354672565	ref	2.88	-12.16	0	292.335	1.568	2	4	7	COC[C@@H](CNC(=O)c1[nH]c2ccccc2c1OC)OC
398245741	ZINC000651432167	ref	7.29	-9.9	0	276.39	3.026	0	6	3	Cc1csc2c(SCc3cnn(C)c3)ncnc12
365619206	ZINC000354672320	ref	3.81	-44.69	1	291.457	1.684	2	3	8	CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@@H](C)[C@H]1CO
365619211	ZINC000354672320	mid	3.83	-40.61	1	291.457	1.684	2	3	8	CCS(=O)(=O)CCCCC[N@H+]1CCC[C@@H](C)[C@H]1CO
365619215	ZINC000354672320	high	2.23	-13.09	0	291.457	1.684	1	4	8	CCS(=O)(=O)CCCCCN1CCC[C@@H](C)[C@H]1CO
365619219	ZINC000354671746	ref	8.32	-17.21	0	282.25	1.175	1	5	5	Cc1nc(NC(=O)COC(F)F)n(-c2ccccc2)n1
365619225	ZINC000354671746	high	7.49	-48.18	-1	282.25	1.175	0	5	5	Cc1nc([N-]C(=O)COC(F)F)n(-c2ccccc2)n1
365619233	ZINC000354672558	ref	2.98	-11.65	0	292.335	1.568	2	4	7	COC[C@H](CNC(=O)c1[nH]c2ccccc2c1OC)OC
365619240	ZINC000354672703	ref	5.42	-37.35	1	298.427	1.561	2	3	7	C[C@H](CO[C@H]1CCOC1)NC(=O)CC[C@H]1CCCC[N@@H+]1C
398245746	ZINC000651431358	ref	6.07	-9.52	0	295.766	3.319	1	3	4	CCN(CC(C)(C)O)C(=O)c1c(Cl)oc2ccccc12
398245748	ZINC000651438499	ref	8.28	-52.27	1	274.314	3.445	1	1	3	Cc1ccncc1C[NH2+][C@@H]1CCc2c(F)cc(F)cc21
214187632	ZINC000293602253	ref	1.12	-12.68	0	350.16	0.409	2	4	5	CCC[C@H](NC(=O)c1c(I)cnn1C)C(N)=O
365619243	ZINC000354672703	mid	5.25	-41.25	1	298.427	1.561	2	3	7	C[C@H](CO[C@H]1CCOC1)NC(=O)CC[C@H]1CCCC[N@H+]1C
365619249	ZINC000354671579	ref	3.73	-21.73	0	297.376	1.02	1	4	5	COc1cc(C)ccc1OCC(=O)N[C@@H]1CC[S@](=O)C1
349535363	ZINC000258901692	mid	7.41	-7.67	0	228.339	3.005	1	2	4	Cc1cc(C)c(CNCC2(C#N)CC2)c(C)c1
365619256	ZINC000354672790	ref	9.22	-44.73	1	296.411	1.376	1	3	7	COC(=O)[C@H](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1
343994110	ZINC000129384856	high	4.94	-7.64	0	232.327	2.264	1	2	2	CC[C@@H](N)C(=O)N1CC[C@H](C)c2ccccc21
290623541	ZINC000373921654	ref	9.95	-12.96	0	303.41	2.587	1	4	2	C[C@H]1CC[C@@]2(CCN(C(=O)Nc3nccc(N(C)C)n3)C2)C1
365619207	ZINC000641588674	ref	3.0	-10.1	0	291.225	1.427	1	4	3	O=C(c1ccc(OCC(F)(F)F)o1)N1C[C@H]2C[C@@]2(O)C1
365619214	ZINC000641588559	ref	5.04	-9.95	0	273.332	1.489	1	3	4	C[C@H](CC(=O)N1C[C@@H]2C[C@]2(O)C1)C(=O)c1ccccc1
365619226	ZINC000641588642	ref	3.34	-13.56	0	272.279	1.581	1	3	1	O=C(c1ccc(F)c2ccncc12)N1C[C@@H]2C[C@]2(O)C1
365619231	ZINC000641588592	ref	2.9	-9.39	0	253.323	1.517	1	4	2	CSc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)o1
365619237	ZINC000641588423	ref	4.53	-11.35	0	275.348	1.782	1	3	4	COc1ccccc1[C@H](C)CC(=O)N1C[C@@H]2C[C@]2(O)C1
365619248	ZINC000641588600	ref	4.68	-14.58	0	273.332	1.152	1	3	2	O=C([C@@H]1OCC[C@@H]1c1ccccc1)N1C[C@@H]2C[C@]2(O)C1
365619258	ZINC000641588818	ref	2.94	-9.95	0	260.337	1.47	2	3	4	CC[C@H](Nc1ccccc1)C(=O)N1C[C@H]2C[C@@]2(O)C1
365619265	ZINC000641588465	ref	5.32	-9.71	0	257.333	1.385	1	2	1	O=C([C@@H]1CCc2ccccc2C1)N1C[C@@H]2C[C@]2(O)C1
365619272	ZINC000641588619	ref	3.6	-11.9	0	273.666	1.825	1	2	1	O=C(c1c(F)ccc(F)c1Cl)N1C[C@H]2C[C@@]2(O)C1
365619278	ZINC000641588728	ref	5.75	-11.29	0	271.36	1.775	1	2	1	O=C(C1CCc2ccccc2CC1)N1C[C@@H]2C[C@]2(O)C1
365619295	ZINC000641588612	ref	4.46	-14.23	0	297.31	1.717	1	4	3	O=C(c1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1)c1ccco1
365619301	ZINC000641588632	ref	4.32	-18.03	0	298.346	1.37	2	5	3	Cn1ccc(Nc2ccc(C(=O)N3C[C@H]4C[C@@]4(O)C3)cc2)n1
342080552	ZINC000625323875	ref	-0.78	-8.8	0	252.318	1.081	2	5	6	CC(C)(CC(N)=O)NCc1noc(C2CCC2)n1
365619307	ZINC000641588800	ref	1.02	-9.62	0	282.727	1.341	1	4	3	CCOc1ncc(C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1Cl
365619312	ZINC000641588712	ref	2.95	-9.44	0	277.267	1.974	1	3	1	O=C(c1csc(C(F)(F)F)c1)N1C[C@H]2C[C@@]2(O)C1
168364890	ZINC000368500515	mid	6.89	-16.32	0	345.447	3.016	2	4	4	Cc1noc(C)c1[C@H](C)CNC(=O)N1CCC(c2cn[nH]c2C)CC1
365619317	ZINC000641588754	ref	4.0	-15.91	0	295.285	1.68	1	3	3	O=C(c1ccc(O[C@@H]2CC2(F)F)cc1)N1C[C@H]2C[C@@]2(O)C1
365619324	ZINC000641588558	ref	5.06	-9.73	0	273.332	1.489	1	3	4	C[C@H](CC(=O)N1C[C@H]2C[C@@]2(O)C1)C(=O)c1ccccc1
365619331	ZINC000641588482	ref	5.23	-10.92	0	287.359	1.4	1	3	2	O=C([C@@H]1COCC[C@@H]1c1ccccc1)N1C[C@@H]2C[C@]2(O)C1
365619335	ZINC000641588620	ref	5.93	-43.69	1	288.457	1.78	1	2	4	CC(C)CCS(=O)(=O)N1CCC2(CC[NH+](C)CC2)C1
214187634	ZINC000053533546	ref	6.75	-8.08	0	334.139	3.777	1	3	4	FC(F)(F)c1ccn(CCNc2ccccc2Br)n1
199273116	ZINC000294963234	ref	2.74	-6.65	0	274.311	1.845	0	4	9	COCCCOCCN(C)Cc1cc(F)ncc1F
214187639	ZINC000053532421	ref	6.86	-11.23	0	333.432	1.775	1	4	6	COC(=O)CCCNC(=O)N1CCN(Cc2cccc(C)c2)CC1
214187642	ZINC000053532421	mid	9.07	-47.99	1	333.432	1.775	2	3	6	COC(=O)CCCNC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1
199273119	ZINC000294963234	low	5.35	-42.98	1	274.311	1.845	1	3	9	COCCCOCC[N@H+](C)Cc1cc(F)ncc1F
349535365	ZINC000621243042	ref	6.41	-8.28	0	291.326	2.413	0	5	3	C[C@H]1CN(c2noc(Cc3ccc(F)cc3)n2)C[C@H](C)O1
214187646	ZINC000053538696	ref	10.41	-46.29	1	347.409	3.409	2	1	6	CN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C
214187652	ZINC000053538696	mid	7.89	-9.86	0	347.409	3.409	1	2	6	CN(Cc1cccc(F)c1)C(=O)NC[C@@H](c1cccc(F)c1)N(C)C
214187656	ZINC000053547702	ref	9.87	-23.3	0	346.434	3.771	1	4	4	Cc1ccc(CC(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cn1
214187660	ZINC000053547702	low	10.28	-40.97	1	346.434	3.771	1	3	4	Cc1ccc(CC(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)cn1
214187663	ZINC000053529412	ref	10.02	-40.76	1	347.484	3.201	2	3	7	COc1ccccc1CN(C)C(=O)NC[C@H](c1cccs1)[NH+](C)C
342080553	ZINC000625323875	low	0.46	-39.21	1	252.318	1.081	2	4	6	CC(C)(CC(N)=O)[NH2+]Cc1noc(C2CCC2)n1
214187666	ZINC000053529412	mid	8.31	-8.87	0	347.484	3.201	1	4	7	COc1ccccc1CN(C)C(=O)NC[C@H](c1cccs1)N(C)C
349535368	ZINC000621244123	ref	5.18	-8.29	0	293.392	2.472	1	5	7	CCOCCn1cc(C(=O)N[C@H](C)c2cccs2)cn1
342080554	ZINC000625323851	ref	3.83	-10.86	0	277.32	1.512	1	4	2	C[C@]1(C(=O)N[C@H]2CCCOC2)COc2ccccc2O1
214187670	ZINC000053527876	ref	7.78	-19.76	0	328.376	2.247	2	5	4	O=C(CN1CCCCCCC1=O)Nc1n[nH]c(-c2ccccn2)n1
214187674	ZINC000053527876	mid	7.78	-17.77	0	328.376	2.247	2	5	4	O=C(CN1CCCCCCC1=O)Nc1nc(-c2ccccn2)n[nH]1
259308433	ZINC000394132897	ref	4.29	-13.77	0	249.314	0.663	1	4	3	C[C@@H]1CCN(C(=O)/C=C\c2ccnn2C)[C@H]1CO
192037997	ZINC000418464478	ref	-3.36	-52.1	1	225.239	-0.492	4	2	6	C[C@@H](C[NH3+])CNC(=O)NCC(F)(F)CO
214187678	ZINC000053527876	high	7.7	-61.82	-1	328.376	2.247	1	5	4	O=C(CN1CCCCCCC1=O)Nc1nnc(-c2ccccn2)[n-]1
349535370	ZINC000621242394	ref	5.08	-10.19	0	269.776	2.035	0	3	6	CCN(CC)C(=O)CN(C)Cc1cncc(Cl)c1
197594763	ZINC000290097580	ref	5.42	-52.49	1	299.378	1.84	2	4	4	CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-n2ccnn2)cc1
365619217	ZINC000623040964	ref	1.89	-14.17	0	300.405	1.268	1	4	4	NS(=O)(=O)c1ccc(C(=O)N2CC(CC3CC3)C2)s1
365619224	ZINC000623040659	ref	9.49	-8.7	0	311.389	1.715	0	5	6	O=C([C@@H](Cc1ccccc1)n1cnnn1)N1CC(CC2CC2)C1
365619230	ZINC000623040850	ref	8.52	-17.5	0	311.389	1.907	0	5	5	Cc1ccc(-c2nnn(CC(=O)N3CC(CC4CC4)C3)n2)cc1
299072293	ZINC000358088120	ref	3.29	-44.25	1	301.456	1.05	4	3	6	CSC[C@@](C)(O)CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1
365619241	ZINC000623042047	ref	4.27	-9.91	0	322.43	1.025	2	4	6	C[C@H](O)[C@H](NC(=O)C1CC1)C(=O)N1CC(Cc2ccsc2)C1
365619250	ZINC000623041355	ref	8.73	-48.37	1	314.433	1.706	1	3	4	C[NH+]1CCN(c2cccc(C(=O)N3CC(CC4CC4)C3)n2)CC1
365619254	ZINC000623041355	mid	6.34	-8.98	0	314.433	1.706	0	4	4	CN1CCN(c2cccc(C(=O)N3CC(CC4CC4)C3)n2)CC1
342596897	ZINC000590784814	mid	7.45	-48.97	1	286.379	1.684	2	4	3	CCc1nnc(C[N@H+]2CCc3ccc(O)cc3CC2)n1C
342596898	ZINC000590783931	ref	5.74	-47.33	1	271.382	1.987	0	4	7	Cc1ccc(CN(CCCS(C)(=O)=O)C2CC2)o1
365619264	ZINC000623041501	ref	8.02	-37.62	1	314.429	1.882	2	2	5	O=C(N1CC(CC2CC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1
365619271	ZINC000623041501	mid	8.04	-38.09	1	314.429	1.882	2	2	5	O=C(N1CC(CC2CC2)C1)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1
299072295	ZINC000358088120	mid	3.22	-44.32	1	301.456	1.05	4	3	6	CSC[C@@](C)(O)CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1
365619277	ZINC000623041501	high	5.58	-10.61	0	314.429	1.882	1	3	5	O=C(N1CC(CC2CC2)C1)[C@]1(O)CCN(Cc2ccccc2)C1
365619282	ZINC000623041649	ref	3.11	-14.91	0	300.405	1.268	1	4	4	NS(=O)(=O)c1ccsc1C(=O)N1CC(CC2CC2)C1
282123156	ZINC000449155266	high	5.48	-8.84	0	285.395	2.368	2	4	4	c1cc(CN[C@H]2CCc3n[nH]cc3C2)n(C2CCCC2)n1
365619287	ZINC000623042213	ref	6.61	-21.74	0	317.414	1.773	0	5	3	Cc1nn(C)c(=O)c(C(=O)N2CC(Cc3ccsc3)C2)c1C
365619292	ZINC000623040673	ref	2.74	-14.62	0	312.391	1.416	1	4	4	Cc1oc(C)c(S(N)(=O)=O)c1C(=O)N1CC(CC2CC2)C1
365619297	ZINC000623040431	ref	6.8	-40.43	1	302.422	1.609	2	3	4	CC1CC(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1
349535366	ZINC000594968546	ref	5.65	-46.95	1	282.34	2.835	2	4	8	CC[C@@H](C)CC[NH2+]Cc1cc(OC)c(O)cc1[N+](=O)[O-]
259308567	ZINC000517230306	ref	2.34	-44.81	1	211.302	0.757	1	2	6	C[C@@H](F)CC[NH2+]C[C@@H](C)S(C)(=O)=O
214187638	ZINC000293611243	ref	2.15	-27.43	0	369.418	0.451	1	4	6	NC(=O)c1ccc(CN(C(=O)CN2CCCS2(=O)=O)C2CC2)c(F)c1
214187643	ZINC000293601327	ref	2.68	-12.89	0	359.386	0.456	1	7	5	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccc(OC)cc1)C2
342080555	ZINC000625323736	ref	2.86	-10.79	0	263.403	1.769	1	3	7	CC(C)CCS(=O)(=O)NCC[C@H]1CCCOC1
342080556	ZINC000625324405	ref	4.97	-36.23	1	254.374	1.531	2	2	6	CCO[C@@H](C[N@@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1
214187649	ZINC000293600936	ref	7.56	-20.91	0	362.43	0.959	0	6	3	CC(C)(C)OC(=O)N1C[C@@H]2CN(C(=O)CCn3cnccc3=O)C[C@@H]2C1
398245738	ZINC000649443883	ref	5.99	-7.9	0	231.299	2.579	0	4	4	CCCOc1ccc(-c2cnn(C)c2C)nc1
214187653	ZINC000293608534	ref	2.41	-15.35	0	351.428	0.84	2	5	7	COC[C@H]1CCN1C(=O)C(=O)Nc1ccccc1SCCC(N)=O
214187657	ZINC000293612656	ref	8.79	-23.73	0	350.448	0.754	0	8	5	Cc1nc(N2CCN(C(=O)COCc3nncn3C)CC2)sc1C
342080557	ZINC000625324405	mid	4.78	-33.2	1	254.374	1.531	2	2	6	CCO[C@@H](C[N@H+]1CCCC[C@@]1(C)C(N)=O)C1CC1
168364894	ZINC000013834038	ref	6.52	-39.95	1	189.302	2.455	1	0	2	C[C@@H]([NH3+])Cc1ccc2c(c1)CCCC2
349535369	ZINC000594968546	high	6.56	-61.21	0	282.34	2.835	1	4	8	CC[C@@H](C)CC[NH2+]Cc1cc(OC)c([O-])cc1[N+](=O)[O-]
342080558	ZINC000625324405	high	2.76	-8.16	0	254.374	1.531	1	3	6	CCO[C@@H](CN1CCCC[C@@]1(C)C(N)=O)C1CC1
342080559	ZINC000625324009	ref	-0.15	-10.38	0	271.386	1.163	3	6	6	Cc1nnc([C@@H](C)NC[C@H](O)CC2(O)CCC2)s1
214187662	ZINC000293604229	ref	1.96	-15.39	0	370.413	0.524	3	8	7	Cc1c(C(=O)N[C@H](CO)C[C@H](O)c2ccccc2)nnn1-c1ccn(C)n1
342080560	ZINC000625324009	mid	1.02	-42.63	1	271.386	1.163	3	5	6	Cc1nnc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)s1
342080561	ZINC000625323783	ref	1.68	-10.28	0	271.386	1.693	1	6	6	Cc1nnc([C@@H](C)NCCOC2CCOCC2)s1
342080562	ZINC000625323783	mid	2.94	-40.36	1	271.386	1.693	1	5	6	Cc1nnc([C@@H](C)[NH2+]CCOC2CCOCC2)s1
259308570	ZINC000517230306	high	0.97	-11.81	0	211.302	0.757	1	3	6	C[C@@H](F)CCNC[C@@H](C)S(C)(=O)=O
342080563	ZINC000625324317	ref	6.15	-42.04	1	252.358	1.013	2	2	5	COCC[N@@H+]1CCC[C@@H](NC(=O)C23CC(C2)C3)C1
342080564	ZINC000625324317	mid	5.61	-41.62	1	252.358	1.013	2	2	5	COCC[N@H+]1CCC[C@@H](NC(=O)C23CC(C2)C3)C1
342080565	ZINC000625324317	mid	3.29	-9.96	0	252.358	1.013	1	3	5	COCCN1CCC[C@@H](NC(=O)C23CC(C2)C3)C1
342080566	ZINC000625323407	ref	0.72	-11.41	0	278.356	1.567	1	5	4	C[C@]1(C(N)=O)CCCCN1Cc1noc(C2CCC2)n1
168364899	ZINC000044460663	ref	2.18	-44.38	1	197.234	1.215	1	3	3	C[C@@H]([NH3+])Cc1ccc(C2OCCO2)o1
342596899	ZINC000590783931	low	5.68	-48.85	1	271.382	1.987	1	3	7	Cc1ccc(C[N@H+](CCCS(C)(=O)=O)C2CC2)o1
342596900	ZINC000590783931	low	5.74	-47.33	1	271.382	1.987	1	3	7	Cc1ccc(C[N@@H+](CCCS(C)(=O)=O)C2CC2)o1
365619220	ZINC000625017840	low	10.25	-41.22	1	313.401	2.336	0	3	5	CCOc1cccc(CCC(=O)N2CCc3c([nH+]cn3C)C2)c1
365619227	ZINC000625017610	ref	4.65	-8.94	0	301.452	2.442	1	3	4	CC1(C)C[C@H](S(=O)(=O)N[C@H]2C[C@@H]2C2CCCCC2)CO1
365619235	ZINC000625017457	ref	7.49	-16.34	0	302.378	2.058	1	5	5	CCc1nnc2n1C[C@H](NC(=O)C[C@@H](C)c1ccco1)CC2
168364893	ZINC000368498411	ref	4.3	-6.51	0	343.427	3.069	0	6	3	C[C@H](c1noc(-c2ccccc2)n1)N1CCOC2(CCOCC2)CC1
168364895	ZINC000368498411	low	5.97	-36.39	1	343.427	3.069	1	5	3	C[C@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCOC2(CCOCC2)CC1
168366180	ZINC000043334705	high	2.54	-2.5	0	194.278	1.762	1	3	4	C[C@@H](N)[C@@H](c1ccco1)N(C)C1CC1
365619242	ZINC000625018540	ref	6.94	-11.1	0	306.414	2.331	1	6	10	CCCN(CC)c1nnc(-c2cn[nH]c2)n1CCCOCC
365619247	ZINC000625017408	ref	8.12	-11.41	0	321.465	2.467	1	2	4	CN(C)C(=O)CC1CCN(C(=O)NC[C@@H]2CCCC23CC3)CC1
282123157	ZINC000449154848	ref	5.4	-48.38	1	265.401	2.495	2	3	6	CC(C)[C@@](C)(O)C[NH2+]Cc1ccnn1C1CCCC1
282123161	ZINC000449154848	high	3.94	-6.16	0	265.401	2.495	2	4	6	CC(C)[C@@](C)(O)CNCc1ccnn1C1CCCC1
282123163	ZINC000449155059	ref	6.23	-42.96	1	251.374	2.198	1	3	6	CCn1cc(C[NH2+]C2CCC(COC)CC2)cn1
282123166	ZINC000449155802	ref	4.81	-38.73	1	282.771	2.278	2	2	5	CCC[NH2+][C@@H](C)C(=O)N[C@@H]1COc2ccc(Cl)cc21
342596901	ZINC000590784127	ref	4.94	-52.7	1	285.413	1.034	0	5	5	Cn1cc([C@H]2CCCN(CCCS(C)(=O)=O)C2)cn1
282123168	ZINC000449154849	ref	5.09	-48.49	1	265.401	2.495	2	3	6	CC(C)[C@](C)(O)C[NH2+]Cc1ccnn1C1CCCC1
342596902	ZINC000590784127	mid	4.47	-53.37	1	285.413	1.034	1	4	5	Cn1cc([C@H]2CCC[N@H+](CCCS(C)(=O)=O)C2)cn1
342596903	ZINC000590784127	mid	4.94	-52.7	1	285.413	1.034	1	4	5	Cn1cc([C@H]2CCC[N@@H+](CCCS(C)(=O)=O)C2)cn1
342596904	ZINC000590784085	ref	4.78	-48.1	1	283.393	1.877	0	4	4	C[C@H]1c2ccccc2OCCN1CCCS(C)(=O)=O
342596905	ZINC000590784085	low	5.01	-48.83	1	283.393	1.877	1	3	4	C[C@H]1c2ccccc2OCC[N@H+]1CCCS(C)(=O)=O
342596906	ZINC000590784085	low	4.78	-48.1	1	283.393	1.877	1	3	4	C[C@H]1c2ccccc2OCC[N@@H+]1CCCS(C)(=O)=O
342596907	ZINC000590784238	ref	4.37	-9.52	0	257.337	1.726	2	3	2	Cn1ccnc1C[N@@H+]1CCc2ccc(O)cc2CC1
214187658	ZINC000337630789	ref	5.48	-21.79	0	292.364	0.766	1	5	6	C[S@@](=O)CCCNC(=O)c1ccc(-n2cncn2)cc1
365619236	ZINC000353180592	ref	3.65	-42.9	1	256.371	1.735	1	4	5	CCO[C@H]1COCC[C@H]1[NH2+]Cc1cnc(C)s1
349535372	ZINC000594969039	ref	8.35	-48.68	1	276.336	2.765	1	3	7	CCO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1
365619244	ZINC000353180592	high	2.45	-5.84	0	256.371	1.735	1	5	5	CCO[C@H]1COCC[C@H]1NCc1cnc(C)s1
342080567	ZINC000625323850	ref	3.83	-10.9	0	277.32	1.512	1	4	2	C[C@@]1(C(=O)N[C@H]2CCCOC2)COc2ccccc2O1
214187665	ZINC000337630969	ref	5.41	-87.71	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12
214187669	ZINC000337630969	mid	5.41	-83.7	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12
342080568	ZINC000625323838	ref	3.97	-13.06	0	288.269	1.938	1	3	3	O=C(Cc1cc(C(F)(F)F)ccn1)N[C@@H]1CCCOC1
214187673	ZINC000337630969	mid	2.22	-43.24	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12
214187675	ZINC000337630969	mid	2.22	-39.17	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12
214187679	ZINC000337631767	ref	7.87	-9.44	0	290.326	3.113	1	5	3	Cc1c(CNc2ncnc3ccncc23)oc2ccccc12
214187683	ZINC000337630894	ref	3.55	-55.93	-1	294.355	0.639	1	4	7	CCN(CCOCCO)C(=O)N=c1ccc(C2CC2)n[n-]1
197594782	ZINC000290098191	ref	0.05	-19.46	0	291.351	0.284	3	4	5	C[C@@H]1CN(C(=O)CNc2ccccc2C(N)=O)C[C@H]1CO
214187686	ZINC000337630894	low	2.28	-19.28	0	294.355	0.639	2	4	7	CCN(CCOCCO)C(=O)N=c1ccc(C2CC2)n[nH]1
342080569	ZINC000625324457	ref	2.73	-9.08	0	278.418	1.369	1	3	8	CCCCN(C)S(=O)(=O)NCC[C@H]1CCCOC1
342080570	ZINC000625324177	ref	3.14	-10.65	0	261.387	1.523	1	3	7	O=S(=O)(CCC1CC1)NCC[C@@H]1CCCOC1
342080571	ZINC000625323821	ref	7.16	-43.52	1	278.4	1.639	0	5	4	Cn1cc(CCN2CCO[C@@H](C3CCCCC3)C2)nn1
342080572	ZINC000625323821	mid	6.72	-45.64	1	278.4	1.639	1	4	4	Cn1cc(CC[N@@H+]2CCO[C@@H](C3CCCCC3)C2)nn1
342080573	ZINC000625323821	mid	7.16	-43.52	1	278.4	1.639	1	4	4	Cn1cc(CC[N@H+]2CCO[C@@H](C3CCCCC3)C2)nn1
342080574	ZINC000625324274	ref	5.37	-44.79	1	296.333	1.802	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H]1CCOC1
342080575	ZINC000625324063	ref	3.59	-40.63	1	278.396	1.881	3	3	6	Cc1ccc(C(C)(C)[NH2+]C[C@H](O)CC2(O)CCC2)cn1
342080576	ZINC000625324063	high	2.52	-6.91	0	278.396	1.881	3	4	6	Cc1ccc(C(C)(C)NC[C@H](O)CC2(O)CCC2)cn1
349535373	ZINC000621242394	low	7.26	-46.52	1	269.776	2.035	1	2	6	CCN(CC)C(=O)C[N@H+](C)Cc1cncc(Cl)c1
214187659	ZINC000278490256	ref	7.12	-14.49	0	316.401	2.31	0	3	5	CC(=O)N(C)c1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1
214187661	ZINC000278489989	ref	8.13	-64.35	1	320.458	2.009	1	3	7	O=C1C[C@H]([NH2+]C[C@@H]2CCSC2)CN1CCOc1ccccc1
214187668	ZINC000278489909	ref	5.28	-13.13	0	303.366	1.069	1	6	3	Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H]1CCOC[C@H]1C
214187671	ZINC000278491024	ref	7.02	-14.88	0	309.377	1.866	1	7	5	c1cncc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1
214187676	ZINC000278490204	ref	5.78	-8.78	0	312.416	3.097	0	7	7	CCCc1ncc(C(=O)O[C@H](COC)c2nccs2)s1
214187682	ZINC000278490182	ref	7.35	-16.21	0	317.349	2.33	3	5	4	CC(=O)NC1CCC(Nc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1
214187688	ZINC000278490133	ref	5.32	-14.8	0	300.362	2.727	3	3	4	CCNC(=O)Nc1ccc(C)c(NC(=O)c2ccn(C)c2)c1
214187692	ZINC000278489323	ref	4.53	-6.54	0	308.403	2.128	2	4	5	COc1cc(SC)ccc1NC(=O)C(=O)NC[C@H]1C[C@@H]1C
178304071	ZINC000004809613	ref	5.88	-12.17	0	244.214	1.132	0	7	2	Cc1cc2ncc(-n3cc([N+](=O)[O-])cn3)cn2n1
214187695	ZINC000278490405	ref	3.13	-12.96	0	307.39	2.09	2	4	8	COC[C@](C)(CCO)NC(=O)c1ccc(OC)c(C2CC2)c1
214187698	ZINC000278490259	ref	7.41	-13.28	0	316.401	2.31	0	3	5	CC(=O)N(C)c1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1
398245742	ZINC000649443853	ref	4.11	-8.37	0	216.284	2.196	1	3	2	Cc1cc(CO)ccc1-c1cnn(C)c1C
398245745	ZINC000649443985	ref	4.69	-7.98	0	243.306	3.03	1	3	5	CCCOc1ccc(-c2ccc(CO)cc2)nc1
398245750	ZINC000649443915	ref	8.21	-5.94	0	214.312	3.348	0	2	3	CCCc1ccccc1-c1cnn(C)c1C
214187701	ZINC000278489903	ref	3.72	-11.53	0	313.199	1.036	1	4	4	Cn1ncc(Br)c1CN[C@H]1CC(=O)N(C2CC2)C1
214187704	ZINC000278489903	mid	4.86	-54.87	1	313.199	1.036	1	3	4	Cn1ncc(Br)c1C[NH2+][C@H]1CC(=O)N(C2CC2)C1
178304075	ZINC000005737321	ref	5.18	-45.61	-1	216.204	0.324	0	6	1	Cc1cc2ncc(-n3cncn3)c(=O)n2[n-]1
214187708	ZINC000278489376	ref	6.63	-16.24	0	315.417	3.479	2	4	7	CC[C@H](C)c1ccc(NC(=O)Cn2ccnc2[C@H](O)CC)cc1
349535375	ZINC000621242394	low	7.34	-46.64	1	269.776	2.035	1	2	6	CCN(CC)C(=O)C[N@@H+](C)Cc1cncc(Cl)c1
349536178	ZINC000602431471	low	7.6	-110.26	2	239.363	1.189	2	2	6	C[C@@H](CCC#N)C[N@H+]1CCO[C@H](C[NH+](C)C)C1
166172885	ZINC000052144922	low	3.9	-106.38	2	172.272	0.34	2	1	8	C=CC[N@@H+](C)CC[NH2+]CCOC
365619239	ZINC000121817027	low	6.11	-36.77	1	278.4	2.243	3	2	7	CCCCCNC(=O)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1
343994111	ZINC000139363734	ref	7.76	-6.84	0	170.215	2.511	0	2	2	C(=C\n1cccn1)\c1ccccc1
178304077	ZINC000005737321	low	5.3	-21.88	0	216.204	0.324	1	6	1	Cc1cc2ncc(-n3cncn3)c(=O)n2[nH]1
365619245	ZINC000121817027	low	5.64	-35.29	1	278.4	2.243	3	2	7	CCCCCNC(=O)C[N@H+]1CCCC[C@H]1c1cn[nH]c1
365619252	ZINC000121820144	ref	5.73	-9.28	0	264.369	2.276	2	3	8	CCOCC(=O)NC[C@@H](Nc1ccccc1)C(C)C
185089296	ZINC000096076817	ref	6.77	-36.29	1	278.396	2.132	1	3	2	Cc1ccc(CN2CCC[C@@]3(COCC[N@@H+](C)C3)C2)o1
282123160	ZINC000248978865	mid	4.04	-38.34	1	302.484	1.33	1	3	5	CCC1(CC)C[N@H+]([C@H](C)CN2CCOCC2)CC[S@@]1=O
365619261	ZINC000121821822	ref	4.18	-9.13	0	290.371	2.257	1	6	6	CCCCc1noc(CN2CCCC[C@H]2c2nc[nH]n2)n1
178304079	ZINC000000165818	ref	4.03	-39.07	-1	207.258	1.49	0	4	0	Cc1cc2nc3c(c(=O)n2[n-]1)CSC3
365619268	ZINC000121821822	mid	4.92	-12.81	0	290.371	2.257	1	6	6	CCCCc1noc(CN2CCCC[C@H]2c2nnc[nH]2)n1
365619273	ZINC000121816536	ref	5.41	-15.65	0	269.37	2.047	0	5	6	CC(C)N(C)C(=O)CSCc1nc(C2CC2)no1
365619279	ZINC000121818116	ref	6.62	-55.37	1	291.351	2.08	2	3	4	Cc1ccc([C@@H](C)NC(=O)C2CC[NH2+]CC2)cc1[N+](=O)[O-]
365619300	ZINC000121814471	ref	9.41	-18.32	0	253.346	2.293	1	4	7	CC[C@@H](C)OCC(=O)Nc1nccn1CC(C)C
365619306	ZINC000121820753	ref	9.06	-16.1	0	275.337	2.064	0	7	5	Cn1c(SCCn2ccnc2)nnc1-c1ccco1
365619315	ZINC000121820753	low	9.58	-40.67	1	275.337	2.064	0	6	5	Cn1c(SCCn2cc[nH+]c2)nnc1-c1ccco1
365619320	ZINC000121813743	ref	4.09	-53.1	1	282.428	2.215	2	2	4	CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C1([NH3+])CCCCC1
365619325	ZINC000121813743	high	4.15	-7.14	0	282.428	2.215	2	3	4	CC(C)[C@@H]1OCCC[C@H]1CNC(=O)C1(N)CCCCC1
365619332	ZINC000121820371	ref	6.58	-51.55	1	291.351	2.08	2	3	4	Cc1ccc([C@@H](C)NC(=O)[C@H]2CCC[NH2+]C2)cc1[N+](=O)[O-]
365619343	ZINC000121817456	ref	3.88	-12.52	0	262.353	2.228	2	2	7	CCC[C@H](C)CC(=O)NCc1ccc(C(N)=O)cc1
349536183	ZINC000602431471	high	3.14	-8.65	0	239.363	1.189	0	4	6	C[C@@H](CCC#N)CN1CCO[C@H](CN(C)C)C1
168366182	ZINC000062250718	ref	1.68	-49.28	1	194.282	0.434	1	3	2	C[C@@H]([NH3+])[C@@H](C)N1CCn2ccnc2C1
282123162	ZINC000248976997	ref	5.9	-40.67	1	309.406	1.815	3	4	8	CC(C)OC(=O)c1ccc(C[N@H+](C[C@H](C)O)[C@H](C)CO)cc1
365619348	ZINC000121817946	ref	5.11	-15.2	0	274.349	2.082	0	5	4	CN(CC1CC1)C(=O)c1cnc(-c2ncccn2)s1
214187664	ZINC000293614067	ref	1.95	-62.96	1	355.435	0.95	2	3	3	CNS(=O)(=O)c1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1F
214187667	ZINC000293614067	high	1.76	-91.36	0	355.435	0.95	1	3	3	C[N-]S(=O)(=O)c1cc(C(=O)N2CCC3(CC[NH2+]C3)CC2)ccc1F
342080577	ZINC000625323648	ref	4.54	-9.59	0	279.311	1.672	1	3	2	O=C(N[C@H]1CCCOC1)[C@H]1COc2cc(F)ccc2C1
214187672	ZINC000293612262	ref	2.8	-18.28	0	352.391	0.027	3	6	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cc(C(=O)OC)n(C)c1)C(C)C
214187677	ZINC000293611699	ref	4.79	-45.09	1	351.403	0.624	3	5	7	COCc1cc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc(C(=O)OC)c1
214187681	ZINC000293611699	high	2.24	-10.37	0	351.403	0.624	2	6	7	COCc1cc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc(C(=O)OC)c1
214187685	ZINC000293602342	ref	4.88	-23.94	0	360.374	0.232	3	7	7	Cc1nc(NC(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)nn1C
342080578	ZINC000625323944	ref	5.51	-12.54	0	271.368	1.836	1	4	4	C[C@H]1C[C@H](c2cccnc2)[N@H+](CCc2cn(C)nn2)C1
214187689	ZINC000293602087	ref	3.91	-12.66	0	353.806	0.524	1	4	4	CN(C)C(=O)CNC(=O)C(=O)N1CC[C@@H](Oc2ccc(Cl)cc2)C1
214187693	ZINC000293612895	ref	4.67	-17.44	0	366.439	0.651	0	5	3	CN(C(=O)[C@]1(C)Cc2ccccc2C(=O)O1)[C@@H]1CCN(S(C)(=O)=O)C1
214187697	ZINC000293603835	ref	0.28	-18.42	0	365.411	0.682	3	5	9	COCCNS(=O)(=O)c1cccc(CNC(=O)c2cc(C=O)c[nH]2)c1
214187702	ZINC000293609632	ref	9.73	-52.54	1	357.458	0.999	2	5	7	C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1
214187706	ZINC000293609632	mid	9.78	-53.08	1	357.458	0.999	2	5	7	C[C@H](NC(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1
214187709	ZINC000293607752	ref	2.32	-10.35	0	366.418	0.45	3	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](CO)C1CCCCC1
214187714	ZINC000293606412	ref	6.03	-17.37	0	361.398	0.672	1	7	9	COc1ccc(OC)c(CN(CCO)C(=O)CCn2cnccc2=O)c1
214187719	ZINC000293615357	ref	3.69	-17.74	0	359.386	0.627	2	6	4	COC(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)[nH]1
342080579	ZINC000625323944	mid	7.37	-43.89	1	271.368	1.836	1	4	4	C[C@H]1C[C@H](c2cccnc2)[N@@H+](CCc2cn(C)nn2)C1
365619251	ZINC000274308281	ref	5.97	-43.88	1	263.345	1.423	2	3	2	C[C@H]1C[C@@H](N(C)C(=O)Nc2cncnc2)CC[N@@H+]1C
342080580	ZINC000625323944	high	5.51	-12.54	0	271.368	1.836	0	5	4	C[C@H]1C[C@H](c2cccnc2)N(CCc2cn(C)nn2)C1
290622796	ZINC000306642727	ref	6.26	-9.04	0	268.154	2.977	1	1	2	C[C@H]1CC[C@@H]1NC(=O)c1cccc(Br)c1
282123165	ZINC000248976997	mid	5.04	-40.25	1	309.406	1.815	3	4	8	CC(C)OC(=O)c1ccc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1
398245743	ZINC000650859483	high	3.41	-6.87	0	283.416	1.443	2	3	7	C[C@H](COCC1CC1)NC(=O)NC[C@H]1CCCN(C)C1
365619255	ZINC000274308281	mid	5.59	-44.49	1	263.345	1.423	2	3	2	C[C@H]1C[C@@H](N(C)C(=O)Nc2cncnc2)CC[N@H+]1C
365619260	ZINC000274308281	high	3.68	-10.29	0	263.345	1.423	1	4	2	C[C@H]1C[C@@H](N(C)C(=O)Nc2cncnc2)CCN1C
342596908	ZINC000590784238	mid	6.33	-42.89	1	257.337	1.726	2	3	2	Cn1ccnc1C[N@H+]1CCc2ccc(O)cc2CC1
365619266	ZINC000274304091	ref	2.17	-10.5	0	264.325	1.002	1	4	3	Cc1cccnc1C(=O)N1CCOC[C@H]1C[C@H](C)O
365619274	ZINC000274305121	ref	4.04	-17.84	0	282.29	1.933	2	2	7	C=CC(=O)NCCC(=O)NCc1ccc(C(F)F)cc1
282123167	ZINC000248976997	high	2.91	-7.41	0	309.406	1.815	2	5	8	CC(C)OC(=O)c1ccc(CN(C[C@H](C)O)[C@H](C)CO)cc1
282123169	ZINC000248977975	ref	3.42	-37.17	1	314.813	1.651	3	4	7	Cc1ccc(Cl)cc1NC(=O)CN(C[C@H](C)O)[C@H](C)CO
282123170	ZINC000248977975	mid	2.65	-42.23	1	314.813	1.651	4	3	7	Cc1ccc(Cl)cc1NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO
282123171	ZINC000248977975	mid	3.42	-37.17	1	314.813	1.651	4	3	7	Cc1ccc(Cl)cc1NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO
282123176	ZINC000248980420	ref	1.26	-12.81	0	323.418	1.298	3	6	7	C[C@H](O)CN(CC(=O)Nc1nc2ccccc2s1)[C@H](C)CO
282123184	ZINC000248980420	mid	2.31	-40.53	1	323.418	1.298	4	5	7	C[C@H](O)C[N@H+](CC(=O)Nc1nc2ccccc2s1)[C@H](C)CO
365619296	ZINC000274306650	ref	0.44	-9.75	0	298.408	1.488	3	4	4	C[C@]1(CNS(=O)(=O)c2ccccc2N)CCCC[C@H]1O
365619303	ZINC000274308260	ref	2.73	-11.5	0	299.334	1.536	2	5	2	O=C(Nc1cncnc1)N1CCN(c2ccccc2O)CC1
365619311	ZINC000274306647	ref	0.44	-11.26	0	298.408	1.488	3	4	4	C[C@@]1(CNS(=O)(=O)c2ccccc2N)CCCC[C@@H]1O
365619316	ZINC000274307580	ref	5.12	-6.3	0	277.364	1.912	1	4	4	CC[C@@H]1CN([C@H](C(=O)OC)c2ccccc2C)C[C@@H]1O
282123187	ZINC000248980420	mid	2.05	-40.56	1	323.418	1.298	4	5	7	C[C@H](O)C[N@@H+](CC(=O)Nc1nc2ccccc2s1)[C@H](C)CO
282123191	ZINC000248978862	ref	2.53	-9.24	0	302.484	1.33	0	4	5	CCC1(CC)CN([C@H](C)CN2CCOCC2)CC[S@]1=O
282123192	ZINC000248978862	mid	4.45	-38.36	1	302.484	1.33	1	3	5	CCC1(CC)C[N@@H+]([C@H](C)CN2CCOCC2)CC[S@]1=O
365619319	ZINC000274307580	mid	7.01	-32.84	1	277.364	1.912	2	3	4	CC[C@@H]1C[N@@H+]([C@H](C(=O)OC)c2ccccc2C)C[C@@H]1O
365619257	ZINC000625019154	ref	7.44	-11.52	0	318.425	2.331	1	6	10	CCOCCCn1c(-c2cn[nH]c2)nnc1N(CC)CC1CC1
178304082	ZINC000000165818	low	4.15	-13.33	0	207.258	1.49	1	4	0	Cc1cc2nc3c(c(=O)n2[nH]1)CSC3
365619263	ZINC000625019903	ref	7.83	-41.43	1	318.417	2.052	2	3	8	COc1cc(CNC(=O)C23CC(C2)C3)ccc1OCC[NH+](C)C
365619269	ZINC000625019903	high	5.37	-11.03	0	318.417	2.052	1	4	8	COc1cc(CNC(=O)C23CC(C2)C3)ccc1OCCN(C)C
365638638	ZINC000617439909	high	3.75	-16.27	0	251.334	0.74	1	5	4	CC[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)N(C)C
365638640	ZINC000617439571	ref	2.62	-18.2	0	250.302	0.705	2	5	2	C[C@H]1C[C@H](NC(=O)C2(O)CCCC2)c2ncnn21
178304085	ZINC000072406254	ref	4.75	-10.36	0	225.251	2.41	1	4	1	Cc1cc2nccc(-c3ccccc3O)n2n1
178304088	ZINC000035203177	ref	0.92	-11.52	0	248.286	0.457	2	5	3	Cc1cc2ncc(C(=O)NC[C@H](C)O)c(C)n2n1
365638644	ZINC000617442096	ref	5.13	-20.21	0	250.302	0.969	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)c2ncnn21
365638647	ZINC000617442175	ref	3.32	-17.71	0	293.371	0.368	1	6	4	C[C@H](CN1CCOCC1)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
365638651	ZINC000617442175	mid	5.21	-49.36	1	293.371	0.368	2	5	4	C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@@H](C)n2ncnc21
178304089	ZINC000041702404	ref	6.95	-4.04	0	226.106	4.158	0	1	0	Cc1cc2ncc(Cl)c(Cl)c2cc1C
343994112	ZINC000129385356	ref	6.25	-8.95	0	235.331	1.752	0	3	3	C[C@H]1CC[C@H](C)N1C(=O)CCc1ccnn1C
178304091	ZINC000051847892	ref	0.43	-46.72	1	219.288	1.56	3	2	2	Cc1cc2nc([C@H]([NH3+])[C@@H](C)O)[nH]c2cc1C
343994115	ZINC000625559263	ref	2.09	-11.5	0	233.333	1.051	1	3	5	C/C=C\CNS(=O)(=O)C[C@H]1CCCCO1
178304093	ZINC000051847892	mid	0.15	-7.85	0	219.288	1.56	3	3	2	Cc1cc2nc([C@H](N)[C@@H](C)O)[nH]c2cc1C
365638655	ZINC000617439809	ref	3.15	-19.4	0	279.344	0.121	1	6	3	CCN1CCO[C@H](C(=O)N[C@H]2C[C@H](C)n3ncnc32)C1
343994117	ZINC000625559266	ref	1.87	-11.2	0	233.333	1.051	1	3	5	C/C=C\CNS(=O)(=O)C[C@@H]1CCCCO1
365638658	ZINC000617439809	mid	5.58	-55.56	1	279.344	0.121	2	5	3	CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C)n3ncnc32)C1
178304095	ZINC000052207595	ref	6.92	-48.6	1	244.342	2.549	1	3	3	Cc1cc2ncc([C@H](C)[NH2+]C3CCC3)c(C)n2n1
178304097	ZINC000052207595	high	5.82	-7.35	0	244.342	2.549	1	4	3	Cc1cc2ncc([C@H](C)NC3CCC3)c(C)n2n1
133428551	ZINC000306480540	ref	2.97	-6.02	0	182.267	1.255	0	3	2	CC(C)[C@@H]1CN([C@H](C)C#N)CCO1
323004638	ZINC000531121274	low	4.91	-43.55	1	240.347	1.18	2	2	7	C=CCCCC(=O)NCC[N@@H+]1CCO[C@H](C)C1
168364896	ZINC000368498411	low	5.87	-35.28	1	343.427	3.069	1	5	3	C[C@H](c1noc(-c2ccccc2)n1)[N@H+]1CCOC2(CCOCC2)CC1
168364898	ZINC000368497728	ref	9.06	-10.24	0	331.412	3.029	0	4	5	CCOC1(C(=O)N2C[C@H](CC(=O)OC)c3ccccc32)CCCC1
342596909	ZINC000590784238	mid	4.37	-9.52	0	257.337	1.726	1	4	2	Cn1ccnc1CN1CCc2ccc(O)cc2CC1
214187680	ZINC000053527876	high	7.6	-62.77	-1	328.376	2.247	1	5	4	O=C(CN1CCCCCCC1=O)Nc1nc(-c2ccccn2)n[n-]1
214187684	ZINC000053527876	high	7.6	-62.79	-1	328.376	2.247	1	5	4	O=C(CN1CCCCCCC1=O)Nc1n[n-]c(-c2ccccn2)n1
197594787	ZINC000162828071	ref	3.66	-9.31	0	311.403	1.931	1	4	5	COc1ccc(S(=O)(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1
342596910	ZINC000590797621	ref	5.82	-14.09	0	291.38	1.429	2	5	6	CSCCNC(=O)NCc1ncn(-c2ccccc2)n1
214187687	ZINC000053528987	ref	6.61	-9.4	0	349.45	2.641	1	3	4	CC1CCN(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)CC1
214187690	ZINC000053521398	ref	8.61	-12.57	0	330.453	3.971	2	3	7	CCOc1ccc(NC(=S)NCc2ccccc2OCC)cc1
342596911	ZINC000590782536	ref	4.95	-8.8	0	269.304	1.64	2	3	2	Cc1cc(C#N)cc(NC(=O)C(=O)NC2CC=CC2)c1
214187694	ZINC000053539986	ref	3.9	-21.58	0	337.445	2.201	2	4	7	CC[C@@H](C)[C@@H](NC(=O)CS(=O)(=O)CC)c1nc2ccccc2[nH]1
214187699	ZINC000053519513	ref	7.2	-15.12	0	338.407	2.987	2	3	4	O=C(NCCc1ccc2c(c1)OCCO2)N[C@@H]1CCc2ccccc21
214187703	ZINC000053539175	ref	1.91	-21.86	0	334.42	1.88	4	3	10	CCCC(=O)Nc1cccc(CNC(=O)CCCCNC(N)=O)c1
214187707	ZINC000053545559	ref	10.38	-12.77	0	337.427	3.827	1	5	4	Cc1nccn1-c1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cn1
214187711	ZINC000053545559	mid	10.85	-31.84	1	337.427	3.827	1	4	4	Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc(C)n(C(C)C)c2C)cn1
214187715	ZINC000053528074	ref	9.84	-15.01	0	339.424	2.549	2	5	6	C[C@@H](SCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[nH]1
290622800	ZINC000334300170	ref	4.89	-8.19	0	251.351	2.349	1	3	2	C[C@H]1CC[C@@H]1NC(=O)c1cc2c(s1)CCOC2
214187716	ZINC000053528074	high	9.67	-57.89	-1	339.424	2.549	1	5	6	C[C@@H](SCc1ccccc1)C(=O)Nc1nc(-c2ccccn2)n[n-]1
349535376	ZINC000621496926	ref	9.46	-11.26	0	296.361	3.49	1	1	5	Cc1ccc(C)c(CN(C)C(=O)NCC[C@H]2CC2(F)F)c1
282123657	ZINC000151697541	mid	4.92	-5.65	0	321.509	2.345	1	3	4	C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(C)CC1
342080581	ZINC000625323820	ref	6.82	-44.34	1	278.4	1.639	0	5	4	Cn1cc(CCN2CCO[C@H](C3CCCCC3)C2)nn1
342080582	ZINC000625323820	mid	7.24	-44.13	1	278.4	1.639	1	4	4	Cn1cc(CC[N@@H+]2CCO[C@H](C3CCCCC3)C2)nn1
365619262	ZINC000354672790	mid	9.24	-44.75	1	296.411	1.376	1	3	7	COC(=O)[C@H](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1
365619270	ZINC000354672700	ref	5.46	-39.33	1	269.385	1.881	2	3	7	C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C
365619275	ZINC000354671607	ref	4.13	-4.37	0	282.384	1.175	1	3	1	C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCO[C@H]2C)CC(C)(C)C1
342080583	ZINC000625323820	mid	6.82	-44.34	1	278.4	1.639	1	4	4	Cn1cc(CC[N@H+]2CCO[C@H](C3CCCCC3)C2)nn1
342080584	ZINC000625323414	ref	-1.44	-8.44	0	254.33	1.3	3	5	6	Cc1cnc([C@H](C)NC[C@H](O)CC2(O)CCC2)o1
342080585	ZINC000625323414	mid	-0.18	-39.76	1	254.33	1.3	3	4	6	Cc1cnc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)o1
342080586	ZINC000625324403	ref	4.66	-28.88	1	254.374	1.531	2	2	6	CCO[C@@H](C[N@@H+]1CCCC[C@]1(C)C(N)=O)C1CC1
342080587	ZINC000625324403	mid	5.03	-35.97	1	254.374	1.531	2	2	6	CCO[C@@H](C[N@H+]1CCCC[C@]1(C)C(N)=O)C1CC1
342080588	ZINC000625324403	high	2.33	-6.64	0	254.374	1.531	1	3	6	CCO[C@@H](CN1CCCC[C@]1(C)C(N)=O)C1CC1
365619281	ZINC000354671570	ref	5.88	-4.98	0	284.4	1.709	1	3	7	CCCCN(CCCC)C(=O)C(=O)N[C@@H]1CCO[C@@H]1C
342080589	ZINC000625324459	ref	2.74	-8.91	0	278.418	1.369	1	3	8	CCCCN(C)S(=O)(=O)NCC[C@@H]1CCCOC1
342080590	ZINC000625324458	ref	2.49	-43.44	1	297.321	1.031	2	2	8	CCCN(CC(F)(F)F)C(=O)C[NH2+]C(C)(C)CC(N)=O
365619283	ZINC000354672473	ref	3.57	-7.92	0	272.389	1.916	2	3	7	CC(C)CCOCCNC(=O)N[C@@H]1CCO[C@@H](C)C1
282123172	ZINC000263892878	ref	5.4	-25.84	0	310.361	1.516	2	5	2	Cc1cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)c2n[nH]cc2c1
365619286	ZINC000354672471	ref	5.87	-8.91	0	295.383	1.823	1	5	5	COC(=O)[C@H](C)CC(=O)N[C@@H](c1cnn(C)c1)C(C)(C)C
342080591	ZINC000625324458	high	1.28	-10.99	0	297.321	1.031	2	3	8	CCCN(CC(F)(F)F)C(=O)CNC(C)(C)CC(N)=O
342080592	ZINC000625323943	ref	5.49	-12.63	0	271.368	1.836	1	4	4	C[C@@H]1C[C@H](c2cccnc2)[N@H+](CCc2cn(C)nn2)C1
342080593	ZINC000625323943	mid	7.33	-42.89	1	271.368	1.836	1	4	4	C[C@@H]1C[C@H](c2cccnc2)[N@@H+](CCc2cn(C)nn2)C1
192037999	ZINC000418465389	ref	4.22	-50.76	1	241.379	1.801	2	1	4	C[C@H]1CCCC[C@H]1N(C)C(=O)NC[C@H](C)C[NH3+]
342080594	ZINC000625323943	high	5.49	-12.63	0	271.368	1.836	0	5	4	C[C@@H]1C[C@H](c2cccnc2)N(CCc2cn(C)nn2)C1
365619289	ZINC000354672907	ref	6.71	-25.29	0	280.368	1.674	0	4	6	CC[C@H](C)N(C)C(=O)c1cn(CCOC)c(C)cc1=O
365619291	ZINC000354671708	ref	3.44	-19.99	0	286.441	1.134	1	3	4	CC(C)[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)N1CCCCC1
342596912	ZINC000590784258	ref	4.86	-16.48	0	299.44	1.865	0	5	6	CCn1cncc1[C@@H]1CCCCN1CCCS(C)(=O)=O
365619294	ZINC000354671708	mid	5.32	-47.68	1	286.441	1.134	2	2	4	CC(C)[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)[NH+]1CCCCC1
342596913	ZINC000590784258	low	5.37	-43.57	1	299.44	1.865	0	4	6	CCn1c[nH+]cc1[C@@H]1CCCCN1CCCS(C)(=O)=O
365619298	ZINC000354672902	ref	6.71	-25.12	0	280.368	1.674	0	4	6	CC[C@@H](C)N(C)C(=O)c1cn(CCOC)c(C)cc1=O
365619304	ZINC000354671576	ref	5.9	-5.19	0	284.4	1.709	1	3	7	CCCCN(CCCC)C(=O)C(=O)N[C@H]1CCO[C@H]1C
342596914	ZINC000616980252	ref	6.57	-11.65	0	267.369	1.875	0	3	4	CC[C@@H](C)N(CC)C(=O)C1C[C@H]2COC[C@@H](C1)C2=O
365619309	ZINC000354672474	ref	5.87	-8.92	0	295.383	1.823	1	5	5	COC(=O)[C@H](C)CC(=O)N[C@H](c1cnn(C)c1)C(C)(C)C
306234464	ZINC000557854565	ref	1.96	-20.92	0	329.443	1.483	1	4	3	CC1(C)CC[C@@H]1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2
365619314	ZINC000354671719	ref	1.02	-10.49	0	263.281	1.283	1	3	7	CC[C@@H](CC(F)(F)F)NS(=O)(=O)CCOC
365619321	ZINC000354672355	ref	4.28	-47.65	1	299.411	1.629	2	4	7	COC(=O)CC1([NH2+]C[C@H](O)CC2CCCC2)CCOCC1
365619327	ZINC000354672136	ref	5.17	-12.87	0	273.764	1.855	1	3	5	COC[C@@H](C)NC(=O)N(C)Cc1cc(Cl)cn1C
342596915	ZINC000590784240	ref	4.24	-52.48	1	261.309	1.695	0	3	7	CCN(CCCS(C)(=O)=O)CCC(F)(F)F
342596916	ZINC000590784240	low	4.23	-52.56	1	261.309	1.695	1	2	7	CC[N@H+](CCCS(C)(=O)=O)CCC(F)(F)F
342596917	ZINC000590784240	low	4.24	-52.48	1	261.309	1.695	1	2	7	CC[N@@H+](CCCS(C)(=O)=O)CCC(F)(F)F
342596918	ZINC000590784861	ref	7.38	-42.08	1	288.391	1.661	2	2	4	CN(CC1CC1)C(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
365619333	ZINC000354672319	ref	3.87	-42.69	1	291.457	1.684	2	3	8	CCS(=O)(=O)CCCCC[N@@H+]1CCC[C@H](C)[C@H]1CO
365619336	ZINC000354672319	mid	3.39	-41.2	1	291.457	1.684	2	3	8	CCS(=O)(=O)CCCCC[N@H+]1CCC[C@H](C)[C@H]1CO
365619342	ZINC000354672319	high	1.85	-13.24	0	291.457	1.684	1	4	8	CCS(=O)(=O)CCCCCN1CCC[C@H](C)[C@H]1CO
282123173	ZINC000357798547	ref	1.41	-9.08	0	286.416	1.757	3	3	7	CCC(CC)(CO)CNC(=O)NC[C@H]1CCOC[C@@H]1C
166172889	ZINC000052144922	low	3.93	-106.68	2	172.272	0.34	2	1	8	C=CC[N@H+](C)CC[NH2+]CCOC
342596919	ZINC000590784861	mid	7.39	-42.94	1	288.391	1.661	2	2	4	CN(CC1CC1)C(=O)C[N@H+]1CCc2ccc(O)cc2CC1
342596920	ZINC000590784861	mid	5.63	-10.36	0	288.391	1.661	1	3	4	CN(CC1CC1)C(=O)CN1CCc2ccc(O)cc2CC1
365619346	ZINC000354672373	ref	4.48	-18.1	0	293.388	1.869	1	3	4	O=C(N[C@H]1CC[S@@](=O)C1)c1ccc(OC2CCC2)cc1
214187691	ZINC000337632334	ref	1.5	-8.88	0	259.346	0.516	1	4	7	C[C@@H](C(=O)N(C)CCOCCO)C1CCOCC1
342596921	ZINC000590797659	ref	3.35	-10.9	0	260.403	1.854	2	3	5	CSCCNC(=O)NC[C@H]1CCOC(C)(C)C1
214187696	ZINC000337630141	ref	0.02	-13.17	0	257.334	0.067	3	3	5	CC(=O)NCCNC(=O)N1CCC[C@@H]1C[C@@H](C)O
342596922	ZINC000590783685	ref	6.19	-50.83	1	282.347	1.724	1	5	6	OCCN(Cc1ccccc1)Cc1cnc2ccnn2c1
342596923	ZINC000590783685	mid	6.16	-51.51	1	282.347	1.724	2	4	6	OCC[N@H+](Cc1ccccc1)Cc1cnc2ccnn2c1
214187700	ZINC000337628430	ref	1.08	-19.47	0	287.36	-0.354	2	4	7	CC(C)N1CC[C@@H](NC(=O)N(C)CCOCCO)C1=O
342596924	ZINC000590783685	mid	6.19	-50.83	1	282.347	1.724	2	4	6	OCC[N@@H+](Cc1ccccc1)Cc1cnc2ccnn2c1
214187705	ZINC000337629829	ref	6.52	-53.16	-1	293.371	0.698	1	4	1	C[C@H]1CCC[C@@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1
342596925	ZINC000590783747	ref	6.89	-12.69	0	298.346	1.956	1	4	4	Cc1cc(C#N)cc(NC(=O)C(=O)N(CCC#N)C(C)C)c1
214187710	ZINC000337629829	low	6.67	-20.43	0	293.371	0.698	2	4	1	C[C@H]1CCC[C@@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1
214187713	ZINC000337628231	ref	1.12	-12.11	0	275.324	0.186	3	3	9	C[C@@H](NC(=O)NCCOCC1CC1)C(=O)NCCF
282123174	ZINC000117031627	ref	8.47	-91.64	2	346.475	1.017	3	2	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CCO1
306234465	ZINC000557849988	ref	1.4	-21.58	0	333.406	1.185	1	4	3	O=S1(=O)CCc2ccc(S(=O)(=O)N[C@H]3CC[C@H](F)C3)cc21
214187722	ZINC000337629516	ref	5.52	-8.22	0	276.384	2.296	1	3	2	CC1(C)CCCC[C@H]1CC(=O)N1CCc2n[nH]nc2C1
214187727	ZINC000337629516	mid	5.56	-9.68	0	276.384	2.296	1	3	2	CC1(C)CCCC[C@H]1CC(=O)N1CCc2[nH]nnc2C1
214187731	ZINC000337630798	ref	1.65	-16.03	0	276.283	0.932	2	3	4	O=C1CC[C@H](C(=O)N[C@H]2CCCC[C@H]2OC(F)F)N1
128585155	ZINC000070182502	ref	1.51	-48.55	1	268.386	1.141	2	4	4	C[C@@H]1CC[C@H](C[NH3+])CN1CC(=O)Nc1nccs1
342596926	ZINC000590783948	ref	1.77	-15.39	0	276.427	1.572	0	5	7	CCc1nc(CN(C)CCCS(C)(=O)=O)cs1
365619302	ZINC000623040431	mid	4.42	-9.31	0	302.422	1.609	1	4	4	CC1CC(CNC(=O)c2ccnc(N3CCN(C)CC3)c2)C1
214187737	ZINC000337628648	ref	4.01	-19.08	0	290.323	0.553	2	5	7	CN(CCOCCO)C(=O)c1ccc(-c2nc[nH]n2)cc1
214187740	ZINC000337628648	mid	4.34	-20.11	0	290.323	0.553	2	5	7	CN(CCOCCO)C(=O)c1ccc(-c2nnc[nH]2)cc1
214187744	ZINC000337628233	ref	1.12	-11.77	0	275.324	0.186	3	3	9	C[C@H](NC(=O)NCCOCC1CC1)C(=O)NCCF
398245744	ZINC000349647865	ref	0.16	-11.0	0	216.281	0.189	2	3	5	CN(CCCCO)C(=O)N[C@@H]1CCOC1
365619308	ZINC000623040246	ref	0.9	-12.19	0	300.38	1.32	2	4	4	Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCC1CC(C)C1
365619313	ZINC000623040186	ref	3.26	-18.0	0	302.44	1.255	2	3	7	CC1CC(CNC(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1
349535377	ZINC000621243609	ref	4.81	-13.52	0	273.34	2.047	3	4	3	C[C@H]1CCCC[C@@H]1Nc1ncnc2[nH]cc(C(N)=O)c12
197594807	ZINC000290098175	ref	4.87	-42.37	1	267.398	1.798	1	3	4	CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1scnc1C
342596927	ZINC000194546949	ref	4.22	-16.96	0	280.393	1.933	2	3	7	CC[C@H](C)NC(=O)CSCc1ccc(C(N)=O)cc1
214187712	ZINC000278490453	ref	5.7	-8.49	0	314.36	2.49	2	3	4	O=C(N[C@@H](CO)c1ccc(F)cc1)[C@H]1CCCc2cccnc21
365619322	ZINC000623041669	ref	5.66	-13.24	0	321.446	1.781	0	5	5	O=C(Cc1csc(N2CCOCC2)n1)N1CC(CC2CC2)C1
365619329	ZINC000623042052	ref	8.2	-13.62	0	300.366	1.057	1	6	5	Nc1ncnc2c1ncn2CCC(=O)N1CC(CC2CC2)C1
342596928	ZINC000590783033	ref	5.54	-10.37	0	285.347	1.78	2	3	3	C[C@H](C#N)CNC(=O)C(=O)Nc1ccc2c(c1)CCCC2
365619338	ZINC000623040324	ref	5.12	-17.16	0	309.431	1.977	1	3	6	CC1CC(CNC(=O)[C@@H](CS(C)(=O)=O)c2ccccc2)C1
342596929	ZINC000590784939	ref	5.53	-42.11	1	276.38	1.707	3	2	4	CC[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
365619345	ZINC000623040289	ref	2.42	-10.12	0	308.353	1.079	3	3	6	CC1CC(CNC(=O)[C@H](CO)NC(=O)c2ccc(F)cc2)C1
282123175	ZINC000449154849	high	3.98	-6.1	0	265.401	2.495	2	4	6	CC(C)[C@](C)(O)CNCc1ccnn1C1CCCC1
398245751	ZINC000349439611	ref	1.41	-8.28	0	228.336	1.493	3	2	5	CC(C)[C@H](CO)CNC(=O)NC1CCCC1
282123185	ZINC000449154776	ref	7.73	-12.78	0	288.391	2.082	1	3	7	CN(CCOCC1CC1)C(=O)Cc1ccc2c(c1)NCC2
349535378	ZINC000621243609	low	5.18	-33.13	1	273.34	2.047	3	3	3	C[C@H]1CCCC[C@@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
365619352	ZINC000623041078	ref	8.45	-19.75	0	303.387	1.716	0	5	4	O=C(Cn1cnc2sccc2c1=O)N1CC(CC2CC2)C1
197594816	ZINC000290099976	ref	7.11	-51.81	1	294.345	2.427	1	1	2	O=C(c1ccc(F)c(F)c1)N1CCC([C@H]2CC[NH2+]C2)CC1
178304099	ZINC000031573252	ref	4.34	-9.8	0	230.271	1.238	1	4	2	Cc1cc2ncc(C(=O)NC3CC3)c(C)n2n1
365619358	ZINC000623042113	ref	5.81	-16.72	0	302.403	1.987	1	4	3	O=C([C@@H]1CCCc2nn[nH]c21)N1CC(Cc2ccsc2)C1
398245756	ZINC000349643066	ref	6.14	-45.04	1	237.318	3.2	2	1	6	C[C@H](CCC1CC1)[NH2+]Cc1cc(O)cc(F)c1
398245747	ZINC000650858899	ref	6.75	-43.36	1	297.443	1.927	2	2	4	CC(C)O[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)C1
178304106	ZINC000004773540	ref	-0.12	-10.26	0	239.282	1.838	3	5	0	Cc1cc2nc3c(N)ccc(N)c3nc2cc1N
343994114	ZINC000139344218	ref	6.54	-13.48	0	171.199	2.16	0	2	2	CC(=O)/C=C/c1ccccc1C#N
214187721	ZINC000278490219	ref	4.57	-6.99	0	318.417	1.355	2	3	5	C[C@H]1CCCN(C(=O)C(=O)NC[C@@H](O)CCc2ccccc2)C1
398245749	ZINC000650858899	mid	7.19	-42.75	1	297.443	1.927	2	2	4	CC(C)O[C@@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1
398245753	ZINC000650858899	high	4.99	-8.15	0	297.443	1.927	1	3	4	CC(C)O[C@@H]1CCCN(C(=O)NC[C@H]2CCCN(C)C2)C1
168364901	ZINC000021057800	ref	8.2	-2.16	0	205.345	4.152	1	1	5	CCC(CC)CNc1cc(C)ccc1C
342080595	ZINC000625324059	ref	5.88	-45.48	1	288.457	1.684	2	2	8	CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
185089299	ZINC000096076817	mid	6.67	-35.42	1	278.396	2.132	1	3	2	Cc1ccc(CN2CCC[C@@]3(COCC[N@H+](C)C3)C2)o1
342080596	ZINC000625324059	mid	3.76	-8.87	0	288.457	1.684	1	3	8	CCN(CC)CCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
214187728	ZINC000278490843	ref	7.94	-7.25	0	323.458	2.529	0	5	8	COCCSCCCN1CCc2ccccc2[C@@H]1C(=O)OC
214187730	ZINC000278490843	low	9.69	-36.53	1	323.458	2.529	1	4	8	COCCSCCC[N@@H+]1CCc2ccccc2[C@@H]1C(=O)OC
214187732	ZINC000278490843	low	10.03	-37.33	1	323.458	2.529	1	4	8	COCCSCCC[N@H+]1CCc2ccccc2[C@@H]1C(=O)OC
365619323	ZINC000274307580	mid	7.22	-32.29	1	277.364	1.912	2	3	4	CC[C@@H]1C[N@H+]([C@H](C(=O)OC)c2ccccc2C)C[C@@H]1O
178304114	ZINC000016697530	ref	6.81	-5.31	0	216.671	3.377	0	2	0	Cc1cc2ncc(C#N)c(Cl)c2cc1C
214187736	ZINC000278489879	ref	9.09	-45.03	1	320.502	2.273	1	3	7	c1ccc(C[C@H](CN2CCOCC2)[NH2+]C[C@H]2CCSC2)cc1
342080597	ZINC000625323406	ref	-1.39	-8.9	0	254.33	1.3	3	5	6	Cc1cnc([C@@H](C)NC[C@H](O)CC2(O)CCC2)o1
282123177	ZINC000151684744	mid	4.46	-42.18	1	310.463	2.455	2	4	5	CC(C)c1csc([C@H]2CCC[N@@H+](CC3(CO)COC3)C2)n1
214187742	ZINC000278490952	ref	2.61	-22.23	0	323.386	1.354	0	3	2	C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[S@](=O)C1
214187746	ZINC000278491029	ref	6.07	-10.47	0	315.211	2.375	1	3	4	CCC(CC)NC(=O)c1cc(Br)c(C)n(C)c1=O
342080598	ZINC000625323406	mid	-0.18	-39.94	1	254.33	1.3	3	4	6	Cc1cnc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)o1
346818841	ZINC000589952232	ref	8.56	-8.82	0	263.406	3.328	1	2	5	CC(C)[C@H](Sc1ccccc1)C(=O)N[C@H]1C[C@@H]1C
168364913	ZINC000134375587	ref	6.44	-7.33	0	240.307	2.485	1	5	6	CCC(CC)CNc1c([N+](=O)[O-])c(C)nn1C
398245752	ZINC000651438499	mid	6.74	-5.12	0	274.314	3.445	1	2	3	Cc1ccncc1CN[C@@H]1CCc2c(F)cc(F)cc21
365619328	ZINC000274304392	ref	4.46	-14.85	0	265.313	1.389	1	5	5	C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cncnc1
365619334	ZINC000637717059	ref	4.06	-7.86	0	282.384	1.5	2	3	3	O=C(N[C@H](C1CCC1)[C@H]1CCCO1)N1CCC(O)CC1
365619340	ZINC000274304395	ref	4.47	-14.77	0	265.313	1.389	1	5	5	C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cncnc1
365619349	ZINC000274304004	ref	4.23	-9.27	0	281.327	1.366	1	3	4	C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1cccc(F)c1
365619354	ZINC000274306529	ref	1.33	-8.51	0	286.397	1.608	2	4	5	CO[C@H](CNS(=O)(=O)c1ccccc1N)C(C)(C)C
365619362	ZINC000274304922	ref	6.32	-47.02	1	291.399	1.964	3	3	4	C[C@H]1C[C@@H](C)C[N@H+](C[C@@H](C)NC(=O)Nc2cncnc2)C1
365619365	ZINC000274304922	mid	6.47	-47.43	1	291.399	1.964	3	3	4	C[C@H]1C[C@@H](C)C[N@@H+](C[C@@H](C)NC(=O)Nc2cncnc2)C1
365619371	ZINC000274306424	ref	5.25	-13.57	0	273.292	1.763	2	4	3	COC(=O)C1(C(=O)Nc2ccc(C)c3c[nH]nc23)CC1
365619381	ZINC000274307902	ref	5.13	-10.28	0	251.33	1.732	2	3	4	CC(C)O[C@H]1C[C@@H](NC(=O)c2cnc[nH]2)C1(C)C
365619388	ZINC000274307379	ref	5.16	-47.65	1	290.367	1.586	2	5	4	CC[C@@H]1C[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C[C@H]1O
365619391	ZINC000274307379	mid	5.24	-48.01	1	290.367	1.586	2	5	4	CC[C@@H]1C[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)C[C@H]1O
365619395	ZINC000274307379	high	2.43	-10.86	0	290.367	1.586	1	6	4	CC[C@@H]1CN(Cc2cc(-c3cnn(C)c3C)no2)C[C@H]1O
365619399	ZINC000637717056	ref	3.22	-9.77	0	282.384	1.5	2	3	3	O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)N1CCC(O)CC1
365619404	ZINC000637717153	ref	3.67	-44.84	1	291.395	1.249	4	2	5	Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@H](C)O)C2)cc1
365619408	ZINC000637717153	mid	3.67	-44.91	1	291.395	1.249	4	2	5	Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H](C)O)C2)cc1
365619412	ZINC000637717153	high	1.23	-9.56	0	291.395	1.249	3	3	5	Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](C)O)C2)cc1
342080599	ZINC000625323946	ref	5.46	-10.88	0	271.368	1.836	1	4	4	C[C@H]1C[C@@H](c2cccnc2)[N@H+](CCc2cn(C)nn2)C1
365619418	ZINC000274304506	ref	2.44	-20.22	0	287.319	1.152	2	3	3	NC(=O)NCCC(=O)N1C[C@@H]2CCC(=O)c3cccc1c32
365619425	ZINC000274307629	ref	2.7	-9.29	0	296.392	1.505	2	4	4	Nc1ccccc1S(=O)(=O)N[C@H]1CCO[C@H](C2CC2)C1
365619430	ZINC000274306010	ref	5.21	-16.38	0	280.353	1.117	1	5	4	CCCC(=O)N1CSC[C@@H]1C(=O)Nc1cncnc1
365619435	ZINC000274307631	ref	2.47	-9.34	0	296.392	1.505	2	4	4	Nc1ccccc1S(=O)(=O)N[C@@H]1CCO[C@@H](C2CC2)C1
349535379	ZINC000621495840	ref	8.65	-11.89	0	275.392	3.207	1	2	5	Cc1ccc(COCC(=O)N[C@@H]2CCC[C@H](C)C2)cc1
349535381	ZINC000621496885	ref	7.9	-9.21	0	288.382	3.499	1	1	3	CC(C)(C)C1CCN(C(=O)NCC[C@@H]2CC2(F)F)CC1
185089301	ZINC000096076817	mid	6.63	-29.69	1	278.396	2.132	1	3	2	Cc1ccc(C[N@H+]2CCC[C@@]3(COCCN(C)C3)C2)o1
342596930	ZINC000590784939	mid	5.53	-43.01	1	276.38	1.707	3	2	4	CC[C@@H](C)NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
185089302	ZINC000096076817	mid	6.65	-29.9	1	278.396	2.132	1	3	2	Cc1ccc(C[N@@H+]2CCC[C@@]3(COCCN(C)C3)C2)o1
342596931	ZINC000590784939	mid	3.77	-10.08	0	276.38	1.707	2	3	4	CC[C@@H](C)NC(=O)CN1CCc2ccc(O)cc2CC1
342596932	ZINC000590784329	ref	6.34	-9.64	0	285.347	1.92	1	3	2	Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(C(C)C)C2)c1
342596933	ZINC000590784129	ref	3.53	-55.25	1	283.393	1.228	1	4	4	CS(=O)(=O)CCCN1CCc2ccc(O)cc2CC1
342596934	ZINC000590784129	mid	3.54	-54.58	1	283.393	1.228	2	3	4	CS(=O)(=O)CCC[N@@H+]1CCc2ccc(O)cc2CC1
168364905	ZINC000368495282	ref	10.2	-38.98	1	345.487	3.247	2	3	6	Cc1cccnc1NC(=O)[C@H]1CCC[N@H+](CCCC2CCOCC2)C1
168364907	ZINC000368495282	mid	10.01	-46.7	1	345.487	3.247	2	3	6	Cc1cccnc1NC(=O)[C@H]1CCC[N@@H+](CCCC2CCOCC2)C1
342596935	ZINC000590784129	mid	3.53	-55.25	1	283.393	1.228	2	3	4	CS(=O)(=O)CCC[N@H+]1CCc2ccc(O)cc2CC1
342596936	ZINC000590784879	ref	5.94	-12.92	0	286.379	1.913	1	5	3	CCn1c(C)nnc1CN1CCc2ccc(O)cc2CC1
185089307	ZINC000096076817	low	8.23	-101.99	2	278.396	2.132	2	2	2	Cc1ccc(C[NH+]2CCC[C@@]3(COCC[N@@H+](C)C3)C2)o1
342596937	ZINC000590784879	mid	7.91	-48.82	1	286.379	1.913	2	4	3	CCn1c(C)nnc1C[N@@H+]1CCc2ccc(O)cc2CC1
342596938	ZINC000590784879	mid	7.83	-51.01	1	286.379	1.913	2	4	3	CCn1c(C)nnc1C[N@H+]1CCc2ccc(O)cc2CC1
342596939	ZINC000590797657	ref	3.72	-16.58	0	256.375	1.013	2	4	6	CSCCNC(=O)N[C@@H](C)Cc1cnn(C)c1
349535383	ZINC000621496596	ref	7.84	-10.34	0	287.407	3.147	1	2	5	CCc1cnccc1[C@@H](C)NC(=O)N1CC(CC2CC2)C1
349535386	ZINC000621496778	ref	5.58	-8.4	0	289.766	3.029	2	3	4	CC[C@H](NC(=O)c1ccc(N)nc1)c1ccc(Cl)cc1
349535388	ZINC000621496938	ref	8.51	-9.32	0	250.386	3.173	1	1	7	C=CCCC[C@@H](C)NC(=O)N1CC(CC2CC2)C1
349535391	ZINC000621497348	ref	7.55	-9.2	0	274.355	3.108	1	1	3	C[C@H]1C[C@@H](C)CN(C(=O)NCC[C@H]2CC2(F)F)[C@H]1C
349535395	ZINC000621495841	ref	9.07	-11.31	0	275.392	3.207	1	2	5	Cc1ccc(COCC(=O)N[C@H]2CCC[C@H](C)C2)cc1
342080600	ZINC000625323946	mid	6.66	-46.41	1	271.368	1.836	1	4	4	C[C@H]1C[C@@H](c2cccnc2)[N@@H+](CCc2cn(C)nn2)C1
342080601	ZINC000625323946	high	5.46	-10.88	0	271.368	1.836	0	5	4	C[C@H]1C[C@@H](c2cccnc2)N(CCc2cn(C)nn2)C1
398245754	ZINC000651431555	ref	4.79	-4.01	0	289.206	3.233	1	3	3	C[C@@H](CO)C1CCN(c2ncc(Cl)cc2Cl)CC1
342080602	ZINC000625324315	ref	5.62	-41.62	1	252.358	1.013	2	2	5	COCC[N@@H+]1CCC[C@H](NC(=O)C23CC(C2)C3)C1
342080603	ZINC000625324315	mid	6.13	-42.27	1	252.358	1.013	2	2	5	COCC[N@H+]1CCC[C@H](NC(=O)C23CC(C2)C3)C1
398245758	ZINC000651433143	ref	8.27	-8.29	0	295.81	3.329	0	2	5	CCOC[C@H]1CCN(C(=O)[C@@H](C)c2ccc(Cl)cc2)C1
342080604	ZINC000625324315	mid	3.33	-8.23	0	252.358	1.013	1	3	5	COCCN1CCC[C@H](NC(=O)C23CC(C2)C3)C1
214187720	ZINC000053551277	ref	7.41	-24.22	0	328.353	2.753	1	6	4	CNC(=O)c1ccc(Sc2ncc3ccccn23)c([N+](=O)[O-])c1
342080605	ZINC000625323847	ref	3.83	-10.86	0	277.32	1.512	1	4	2	C[C@@]1(C(=O)N[C@@H]2CCCOC2)COc2ccccc2O1
342080606	ZINC000625323837	ref	3.97	-13.07	0	288.269	1.938	1	3	3	O=C(Cc1cc(C(F)(F)F)ccn1)N[C@H]1CCCOC1
342080607	ZINC000625324191	ref	1.67	-11.61	0	279.402	1.147	1	4	8	COCC[C@@H](C)S(=O)(=O)NCC[C@H]1CCCOC1
342080608	ZINC000625324273	ref	5.22	-44.15	1	296.333	1.802	1	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H]1CCOC1
398245761	ZINC000651438513	ref	5.23	-59.04	1	283.331	3.088	2	3	4	Cc1ccncc1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1
398245763	ZINC000651438513	mid	4.12	-11.78	0	283.331	3.088	2	4	4	Cc1ccncc1CN[C@@H](C)c1ccc2[nH]c(=O)oc2c1
398245767	ZINC000651432086	ref	7.02	-9.86	0	276.39	3.026	0	6	3	Cc1csc2ncnc(SCc3cnn(C)c3)c12
214187725	ZINC000053551277	low	7.79	-42.11	1	328.353	2.753	1	5	4	CNC(=O)c1ccc(Sc2[nH+]cc3ccccn23)c([N+](=O)[O-])c1
342080609	ZINC000625324203	ref	-1.54	-10.11	0	280.715	1.359	1	4	2	O=C1N=NC2CN(Cc3cc(O)ccc3Cl)CCN12
398245768	ZINC000651431554	ref	4.79	-3.97	0	289.206	3.233	1	3	3	C[C@H](CO)C1CCN(c2ncc(Cl)cc2Cl)CC1
342080610	ZINC000625324203	mid	1.39	-11.99	0	280.715	1.359	2	5	2	O=c1[nH]nc2n1CCN(Cc1cc(O)ccc1Cl)C2
342080611	ZINC000625324203	high	-0.69	-43.56	-1	280.715	1.359	0	4	2	O=C1N=NC2CN(Cc3cc([O-])ccc3Cl)CCN12
342080612	ZINC000625323349	ref	6.46	-8.51	0	257.333	1.867	1	2	2	O=C(N[C@@H]1CCCOC1)[C@@H]1[C@H]2Cc3ccccc3[C@H]21
343994118	ZINC000139382870	ref	6.43	-6.26	0	191.278	2.165	0	3	1	Cc1ccnc(N2CCCCCC2)n1
365619339	ZINC000641588620	high	3.55	-9.74	0	288.457	1.78	0	3	4	CC(C)CCS(=O)(=O)N1CCC2(CCN(C)CC2)C1
259308572	ZINC000322982769	ref	2.52	-9.83	0	211.305	1.452	2	2	2	C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1O
342080613	ZINC000625324307	ref	0.61	-9.54	0	261.329	1.244	1	6	5	COc1cncc(CNC(C)(C)c2cnn(C)c2)n1
282123178	ZINC000171455845	ref	4.28	-15.78	0	288.355	1.178	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C(C)C)n[nH]1)CC2
185089308	ZINC000096076817	low	8.64	-100.39	2	278.396	2.132	2	2	2	Cc1ccc(C[NH+]2CCC[C@@]3(COCC[N@H+](C)C3)C2)o1
214187723	ZINC000293611104	ref	3.84	-11.47	0	369.374	0.513	1	8	3	COC(=O)c1cc(C(=O)N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)no1
214187726	ZINC000293614511	ref	6.37	-13.35	0	366.345	0.771	1	6	5	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc(C(=O)OC)cc2)C1
185089309	ZINC000096076817	low	8.62	-100.4	2	278.396	2.132	2	2	2	Cc1ccc(C[N@H+]2CCC[C@@]3(COCC[NH+](C)C3)C2)o1
214187733	ZINC000293609635	ref	9.9	-51.5	1	357.458	0.999	2	5	7	C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1
185089311	ZINC000096076817	low	8.61	-96.07	2	278.396	2.132	2	2	2	Cc1ccc(C[N@@H+]2CCC[C@@]3(COCC[NH+](C)C3)C2)o1
214190470	ZINC000293662613	mid	3.12	-17.3	0	368.499	0.936	1	5	7	CCS(=O)(=O)c1cccc(CC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)c1
342080614	ZINC000625324307	mid	1.79	-43.74	1	261.329	1.244	1	5	5	COc1cncc(C[NH2+]C(C)(C)c2cnn(C)c2)n1
342080615	ZINC000625323859	ref	3.62	-8.87	0	292.445	1.759	1	3	9	CCCN(CCC)S(=O)(=O)NCC[C@@H]1CCCOC1
342080616	ZINC000625324190	ref	1.49	-11.3	0	279.402	1.147	1	4	8	COCC[C@H](C)S(=O)(=O)NCC[C@@H]1CCCOC1
342080617	ZINC000625323919	ref	7.01	-15.38	0	286.335	1.235	1	5	4	O=C(N[C@@H]1CCCOC1)c1cccc(Cn2cncn2)c1
342080618	ZINC000625324176	ref	3.13	-10.89	0	261.387	1.523	1	3	7	O=S(=O)(CCC1CC1)NCC[C@H]1CCCOC1
342080619	ZINC000625323412	ref	-2.79	-8.95	0	254.33	1.3	3	5	6	Cc1cnc([C@H](C)NC[C@@H](O)CC2(O)CCC2)o1
342080620	ZINC000625323412	mid	-1.46	-39.84	1	254.33	1.3	3	4	6	Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)o1
342080621	ZINC000625323635	ref	2.56	-29.75	1	251.33	1.684	1	5	4	C[C@]1(CO)CCCN1Cc1noc(C2CCC2)n1
342080622	ZINC000625323635	low	2.58	-29.39	1	251.33	1.684	2	4	4	C[C@]1(CO)CCC[N@@H+]1Cc1noc(C2CCC2)n1
342080623	ZINC000625323635	low	2.56	-29.75	1	251.33	1.684	2	4	4	C[C@]1(CO)CCC[N@H+]1Cc1noc(C2CCC2)n1
342080624	ZINC000625323660	ref	6.58	-51.24	1	288.391	1.627	2	2	3	C[N@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)N[C@@H]2CCCOC2)C1
214187729	ZINC000053529071	ref	10.36	-16.21	0	345.83	2.839	0	4	5	C[C@@H](C1CC1)N(C(=O)Cn1cnc2ccc(Cl)cc2c1=O)C1CC1
178304120	ZINC000237263301	ref	9.24	-73.03	-1	373.384	1.814	0	6	4	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1
214187734	ZINC000053527159	ref	5.92	-26.48	0	327.304	-1.212	2	8	4	Cn1c(=O)ccn(CC(=O)Nc2nc(-c3ccccn3)n[nH]2)c1=O
178304130	ZINC000237247073	ref	3.08	-46.98	1	358.435	1.746	1	4	5	COc1cc(F)c(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1OC
365619344	ZINC000641588819	ref	3.06	-9.62	0	260.337	1.47	2	3	4	CC[C@H](Nc1ccccc1)C(=O)N1C[C@@H]2C[C@]2(O)C1
178304137	ZINC000237260426	ref	4.74	-36.16	1	351.472	1.26	2	3	6	C[NH2+]C[C@H]1CCCN1C(=O)c1cc(S(=O)(=O)NC2CC2)ccc1C
365619350	ZINC000641588604	ref	3.27	-18.29	0	299.33	1.284	2	4	2	O=C(c1ccc2c(c1)[nH]c(=O)n2C1CC1)N1C[C@H]2C[C@@]2(O)C1
178304143	ZINC000237250969	ref	3.12	-64.92	1	356.488	1.094	1	4	9	COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1
178304149	ZINC000237250969	mid	2.81	-19.22	0	356.488	1.094	1	5	9	COc1ccc(C[C@H](C)CN(C)C(=O)[C@@H](N)CCS(C)(=O)=O)cc1
214187741	ZINC000053527159	high	5.75	-63.47	-1	327.304	-1.212	1	8	4	Cn1c(=O)ccn(CC(=O)Nc2nc(-c3ccccn3)n[n-]2)c1=O
185089313	ZINC000096076817	high	4.71	-4.01	0	278.396	2.132	0	4	2	Cc1ccc(CN2CCC[C@@]3(COCCN(C)C3)C2)o1
185089315	ZINC000096077922	ref	8.45	-78.25	0	293.367	0.738	1	4	4	CC[NH+]1CCN(C(=O)Cc2c(C(=O)[O-])c(C)cn2C)CC1
185089317	ZINC000096077922	mid	6.1	-64.98	-1	293.367	0.738	0	5	4	CCN1CCN(C(=O)Cc2c(C(=O)[O-])c(C)cn2C)CC1
178304154	ZINC000237247187	ref	4.55	-61.78	1	371.478	1.424	1	3	7	CN(CCCC(=O)N1CCC(C[NH3+])CC1)S(=O)(=O)c1ccc(F)cc1
178304158	ZINC000237257804	ref	7.77	-65.96	-1	361.373	1.942	0	6	4	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1
365619357	ZINC000641588425	ref	4.54	-11.92	0	275.348	1.782	1	3	4	COc1ccccc1[C@H](C)CC(=O)N1C[C@H]2C[C@@]2(O)C1
185089319	ZINC000096077020	ref	7.74	-54.46	1	291.395	2.268	1	3	2	Cc1noc(C)c1C[N@H+]1CCC[C@@]2(CCCC(=O)N2C)C1
342596940	ZINC000590785006	ref	4.9	-39.94	1	274.364	1.46	3	2	3	C[C@@H](C(=O)NC1CC1)[N@@H+]1CCc2ccc(O)cc2CC1
178304162	ZINC000237255658	ref	5.56	-50.99	1	365.499	1.607	1	3	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)C1
185089320	ZINC000096077020	mid	7.72	-53.85	1	291.395	2.268	1	3	2	Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCC(=O)N2C)C1
343994119	ZINC000129385149	ref	6.43	-9.46	0	235.331	1.752	0	3	3	C[C@H]1CC[C@@H](C)N1C(=O)CCc1ccnn1C
214187735	ZINC000293609635	mid	9.94	-51.82	1	357.458	0.999	2	5	7	C[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1
398245755	ZINC000649443989	ref	4.91	-7.74	0	230.311	2.491	1	3	3	Cc1c(-c2ccc([C@@H](C)CO)cc2)cnn1C
178304126	ZINC000003189438	ref	-3.56	-65.55	-1	243.226	0.463	2	5	0	Cc1cc2nc3c(=O)[n-]c(=O)nc-3[nH]c2cc1N
178304132	ZINC000003189438	low	-1.75	-18.78	0	243.226	0.463	3	5	0	Cc1cc2nc3c(=O)[nH]c(=O)nc-3[nH]c2cc1N
197594831	ZINC000162835918	ref	4.4	-12.4	0	316.401	1.136	2	3	4	O=C(NCC(=O)N1CCC[C@@H](CO)C1)c1ccc2c(c1)CCC2
197594838	ZINC000162834292	ref	2.99	-15.39	0	307.394	3.197	3	3	7	COc1cc(NC(=O)C[C@H](C)CC(C)C)ccc1NC(N)=O
197594840	ZINC000162834645	ref	6.29	-16.19	0	321.38	2.807	3	3	5	O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1ccc2[nH]cnc2c1
342080625	ZINC000625323660	mid	6.73	-46.5	1	288.391	1.627	2	2	3	C[N@@H+]1C[C@H](c2ccccc2)[C@@H](C(=O)N[C@@H]2CCCOC2)C1
197594858	ZINC000162835350	ref	7.74	-8.44	0	311.472	2.804	0	4	4	O=C(CCCc1cccs1)N1CCS[C@@H]2COCC[C@@H]21
342088414	ZINC000121477347	ref	6.72	-10.67	0	298.346	1.764	1	4	4	C=CCN(C)C(=O)C(=O)Nc1ccccc1-n1nccc1C
168364906	ZINC000044461918	ref	3.63	-46.93	1	175.235	1.224	1	2	2	C[C@@H]([NH3+])Cc1cccc2ccnn12
178304134	ZINC000257266371	ref	3.83	-45.27	1	245.286	0.555	2	5	2	Cc1cc2ncc(C(=O)[C@H]3CCC[NH2+]3)c(N)n2n1
342088415	ZINC000121465222	ref	5.56	-17.63	0	278.381	1.395	1	5	5	Cc1nc(CC(=O)NCCc2cncn2C)c(C)s1
342088416	ZINC000121465222	low	6.07	-42.2	1	278.381	1.395	1	4	5	Cc1nc(CC(=O)NCCc2c[nH+]cn2C)c(C)s1
342088417	ZINC000121526142	ref	5.1	-17.03	0	273.336	1.336	2	4	5	Cc1ccc(CC(=O)NCCc2cncn2C)cc1O
342088418	ZINC000121526142	low	5.61	-41.98	1	273.336	1.336	2	3	5	Cc1ccc(CC(=O)NCCc2c[nH+]cn2C)cc1O
342088419	ZINC000121527793	ref	5.85	-49.08	1	268.361	1.018	1	5	6	COC(=O)Cn1cc(CC[NH2+][C@H](C)C(C)(C)C)nn1
342088420	ZINC000121584806	ref	2.21	-10.4	0	258.362	1.67	2	3	7	CCC(C)(C)NC(=O)NCCOC[C@@H]1CCCO1
342088421	ZINC000121405635	ref	7.51	-39.51	1	278.4	1.342	2	3	5	CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCc1cncn1C
342088422	ZINC000121405635	mid	7.43	-39.54	1	278.4	1.342	2	3	5	CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCc1cncn1C
342088423	ZINC000121405635	low	8.02	-76.77	2	278.4	1.342	2	2	5	CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH+]cn1C
342080626	ZINC000625324951	ref	4.81	-42.29	1	266.389	1.407	2	3	5	Cn1cc(C(C)(C)[NH2+]CC(=O)NCC(C)(C)C)cn1
342080627	ZINC000625324951	mid	3.6	-11.95	0	266.389	1.407	2	4	5	Cn1cc(C(C)(C)NCC(=O)NCC(C)(C)C)cn1
398245757	ZINC000650858930	ref	4.97	-14.01	0	281.4	1.733	2	2	4	CCN1C[C@H](CNC(=O)N[C@@H]2CC[C@@H](C)CC2)CC1=O
342080628	ZINC000625324749	ref	3.74	-11.06	0	275.414	1.767	1	3	6	COC(C)(C)CS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080629	ZINC000625324510	ref	2.96	-10.46	0	263.403	1.769	1	3	7	CC[C@@H](C)CS(=O)(=O)NCC[C@H]1CCCOC1
342080630	ZINC000625324980	ref	3.33	-42.63	1	284.322	1.394	2	2	8	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@H](C)CO
342080631	ZINC000625324980	high	2.14	-10.64	0	284.322	1.394	2	3	8	CCCN(CC(F)(F)F)C(=O)CN[C@H](C)[C@H](C)CO
214187739	ZINC000293614371	ref	2.39	-16.94	0	368.434	0.896	0	7	7	COCCn1nnc2c1CCN(CCS(=O)(=O)c1ccc(F)cc1)C2
282123180	ZINC000117031627	mid	8.47	-91.61	2	346.475	1.017	3	2	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@H+]2CCc3ccccc3C2)CCO1
342080632	ZINC000625324588	ref	3.64	-19.95	0	291.273	1.506	1	4	3	Cc1cn(CC(=O)N[C@@H]2CCCOC2)nc1C(F)(F)F
342080633	ZINC000625324646	ref	4.16	-7.86	0	258.387	1.351	1	2	5	CN(C1CC1)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080634	ZINC000625324490	ref	3.1	-8.94	0	290.429	1.368	1	3	7	C[C@@H](C1CC1)N(C)S(=O)(=O)NCC[C@H]1CCCOC1
342080635	ZINC000625325193	ref	3.47	-11.03	0	261.387	1.377	1	3	6	CO[C@H](C)CS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
168364910	ZINC000368498410	ref	4.08	-6.86	0	343.427	3.069	0	6	3	C[C@@H](c1noc(-c2ccccc2)n1)N1CCOC2(CCOCC2)CC1
342080636	ZINC000625325100	ref	3.06	-11.65	0	261.387	1.378	1	3	7	COCCCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080637	ZINC000625324992	ref	3.07	-43.24	1	264.369	1.47	3	2	7	C[C@@H](NC(=O)C[NH2+][C@H](C)[C@@H](C)CO)c1ccccc1
342080638	ZINC000625324992	high	2.0	-9.39	0	264.369	1.47	3	3	7	C[C@@H](NC(=O)CN[C@H](C)[C@@H](C)CO)c1ccccc1
342080639	ZINC000625325067	ref	5.17	-7.66	0	274.43	1.989	1	2	7	CCCCN(C)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080640	ZINC000625324848	ref	3.0	-47.37	1	268.332	1.757	2	2	7	CO[C@@H](C[NH2+]C(C)(C)CC(N)=O)c1ccc(F)cc1
342080641	ZINC000625324848	high	1.73	-8.53	0	268.332	1.757	2	3	7	CO[C@@H](CNC(C)(C)CC(N)=O)c1ccc(F)cc1
342080642	ZINC000625325158	ref	2.49	-11.02	0	291.413	1.005	1	4	9	COCCOCCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080643	ZINC000625325071	ref	-1.76	-15.31	0	254.334	1.191	2	5	5	Cc1nnc([C@H](C)NCC(=O)NCC(C)(C)C)o1
342080644	ZINC000625325071	low	-0.55	-48.11	1	254.334	1.191	2	4	5	Cc1nnc([C@H](C)[NH2+]CC(=O)NCC(C)(C)C)o1
342596941	ZINC000590785006	mid	5.0	-40.08	1	274.364	1.46	3	2	3	C[C@@H](C(=O)NC1CC1)[N@H+]1CCc2ccc(O)cc2CC1
214187743	ZINC000293607786	ref	4.02	-50.31	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1
214187747	ZINC000293607786	mid	4.85	-52.39	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1
214187750	ZINC000293607786	mid	2.42	-13.59	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1
365619351	ZINC000354671711	ref	3.33	-13.8	0	286.441	1.134	1	3	4	CC(C)[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)N1CCCCC1
342596942	ZINC000590785006	mid	3.13	-9.16	0	274.364	1.46	2	3	3	C[C@@H](C(=O)NC1CC1)N1CCc2ccc(O)cc2CC1
342596943	ZINC000590784275	ref	4.53	-10.78	0	274.364	1.414	2	2	3	CN(C(=O)C[N@@H+]1CCc2ccc(O)cc2CC1)C1CC1
282123181	ZINC000151684744	high	2.99	-5.86	0	310.463	2.455	1	5	5	CC(C)c1csc([C@H]2CCCN(CC3(CO)COC3)C2)n1
342596944	ZINC000590784275	mid	6.3	-43.53	1	274.364	1.414	2	2	3	CN(C(=O)C[N@H+]1CCc2ccc(O)cc2CC1)C1CC1
342596945	ZINC000590784275	mid	4.53	-10.78	0	274.364	1.414	1	3	3	CN(C(=O)CN1CCc2ccc(O)cc2CC1)C1CC1
199273117	ZINC000181260298	ref	4.66	-12.47	0	302.296	2.78	2	2	3	O=C(Nc1cccc(CCC(F)(F)F)c1)N1CC[C@@H](O)C1
168364911	ZINC000071499686	ref	4.56	-43.23	1	185.267	2.265	1	1	3	C[C@@H]([NH3+])CSc1ccc(F)cc1
342596946	ZINC000590784137	ref	5.25	-53.73	1	287.367	1.56	1	6	3	CC(C)n1nnnc1CN1CCc2ccc(O)cc2CC1
342596947	ZINC000590784137	mid	5.67	-56.5	1	287.367	1.56	2	5	3	CC(C)n1nnnc1C[N@@H+]1CCc2ccc(O)cc2CC1
342596948	ZINC000590784137	mid	5.25	-53.73	1	287.367	1.56	2	5	3	CC(C)n1nnnc1C[N@H+]1CCc2ccc(O)cc2CC1
342596949	ZINC000590783303	ref	3.56	-10.19	0	287.319	1.124	2	4	6	C=CCOCCNC(=O)C(=O)Nc1cc(C)cc(C#N)c1
168364914	ZINC000026154449	ref	-0.5	-97.05	2	116.208	0.319	2	0	3	C[C@@H]([NH3+])C[C@@H](C)C[NH3+]
214187753	ZINC000293610125	ref	2.66	-22.85	0	355.46	0.429	1	5	9	CN(CCc1ccccn1)C(=O)CNS(=O)(=O)CC[C@H]1CCOC1
168364918	ZINC000076208550	ref	5.52	-33.19	1	189.262	1.463	1	2	2	C[C@@H]([NH3+])Cc1cccc2c1ncn2C
342596950	ZINC000590784295	ref	5.81	-11.02	0	286.335	1.315	1	4	2	Cc1nc(NC(=O)C(=O)N2CC(C(C)C)C2)ccc1C#N
192038001	ZINC000418462659	ref	3.32	-36.25	1	245.367	1.182	2	2	9	CCCC[C@@H](C[NH3+])NC(=O)N(C)CCOCC
168364922	ZINC000083591605	ref	-0.33	-54.53	0	133.147	-0.831	2	3	3	C[C@@H]([NH3+])C[C@@H](O)C(=O)[O-]
168364924	ZINC000045137902	ref	2.73	-117.56	2	142.246	0.722	2	0	3	C[C@@H]([NH3+])C[NH2+][C@@H]1CC1(C)C
178304135	ZINC000257266371	high	2.47	-8.08	0	245.286	0.555	2	6	2	Cc1cc2ncc(C(=O)[C@H]3CCCN3)c(N)n2n1
168364912	ZINC000368498410	low	5.94	-37.02	1	343.427	3.069	1	5	3	C[C@@H](c1noc(-c2ccccc2)n1)[N@@H+]1CCOC2(CCOCC2)CC1
178304139	ZINC000269139680	ref	1.62	-56.08	1	247.302	0.425	2	4	4	Cc1cc2ncc(C(=O)NCCC[NH3+])c(C)n2n1
365619355	ZINC000121820138	ref	2.94	-5.3	0	263.259	2.445	1	3	5	CCOc1ccccc1N(C)C[C@H](O)C(F)(F)F
178304145	ZINC000005543961	ref	2.95	-8.48	0	213.244	1.705	2	4	0	Cc1cc2nc3[nH]nc(N)c3nc2cc1C
398245759	ZINC000349643066	high	6.91	-55.14	0	237.318	3.2	1	1	6	C[C@H](CCC1CC1)[NH2+]Cc1cc([O-])cc(F)c1
178304152	ZINC000263907689	ref	5.19	-9.51	0	244.298	1.484	1	4	2	Cc1cc2ncc(C(=O)N[C@@H]3C[C@@H]3C)c(C)n2n1
178304157	ZINC000000483338	ref	8.59	-6.13	0	248.395	4.318	1	2	4	Cc1cc2nc(SCCC(C)C)[nH]c2cc1C
178304160	ZINC000070166049	ref	2.32	-63.52	1	247.302	0.393	2	4	6	Cc1cc2ncc(C[NH2+]CCCC(N)=O)cn2n1
168364915	ZINC000368498410	low	5.82	-34.97	1	343.427	3.069	1	5	3	C[C@@H](c1noc(-c2ccccc2)n1)[N@H+]1CCOC2(CCOCC2)CC1
178304164	ZINC000070166049	high	0.98	-16.5	0	247.302	0.393	2	5	6	Cc1cc2ncc(CNCCCC(N)=O)cn2n1
178304165	ZINC000005016895	ref	3.51	-12.94	0	230.296	2.439	1	5	0	Cc1cc2nc3nc(N)sc3nc2cc1C
178304168	ZINC000104187475	ref	6.94	-49.92	1	244.342	2.46	1	3	3	Cc1cc2ncc(C[NH2+]C3(C)CCCC3)cn2n1
398245764	ZINC000349548410	ref	0.39	-19.72	0	238.287	1.068	3	3	6	CC[C@@H](O)CCCNC(=O)c1cc[nH]c(=O)c1
214187745	ZINC000053546010	ref	6.15	-20.43	0	348.366	2.981	1	7	3	Cc1cc(C(=O)Nc2ccc(-n3ccnc3C)nc2)c2c(C)noc2n1
214187748	ZINC000053546010	mid	6.62	-43.64	1	348.366	2.981	1	6	3	Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3C)nc2)c2c(C)noc2n1
214187752	ZINC000053543854	ref	6.3	-10.48	0	332.444	3.024	2	3	4	Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CNC(=O)C1CCCC1
178304174	ZINC000026475408	ref	6.49	-48.42	-1	201.225	2.55	0	3	1	Cc1cc2nccc(C(=O)[O-])c2cc1C
398245771	ZINC000349565534	ref	3.18	-50.94	1	239.29	2.047	2	2	4	C[C@]1(C[NH2+]Cc2cc(O)cc(F)c2)CCOC1
185091454	ZINC000096081397	mid	6.65	-33.77	1	289.423	1.79	1	3	5	COCCN1CC[C@@H]2C[N@@H+](Cc3cccc(C)n3)C[C@@H]2C1
398245776	ZINC000349565534	high	3.95	-60.23	0	239.29	2.047	1	2	4	C[C@]1(C[NH2+]Cc2cc([O-])cc(F)c2)CCOC1
398245780	ZINC000349627653	ref	5.61	-45.32	1	237.318	3.2	2	1	4	CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1
398245760	ZINC000649443798	ref	1.74	-49.12	1	244.294	1.288	2	2	3	O=C1C[C@H](Oc2ccc(C3=CC[NH2+]CC3)cc2)N1
398245765	ZINC000649444125	ref	5.07	-8.56	0	232.283	2.413	0	4	3	COc1ccc(-c2cnn(C)c2C)c(OC)c1
365619356	ZINC000354671711	mid	5.22	-42.41	1	286.441	1.134	2	2	4	CC(C)[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)[NH+]1CCCCC1
365619361	ZINC000354672398	ref	4.2	-18.89	0	287.331	1.706	1	2	3	C[C@H](C(=O)N[C@H]1CC[S@@](=O)C1)c1ccc(F)c(F)c1
398245770	ZINC000649443799	ref	1.77	-49.23	1	244.294	1.288	2	2	3	O=C1C[C@@H](Oc2ccc(C3=CC[NH2+]CC3)cc2)N1
398245775	ZINC000649444128	ref	6.23	-3.79	0	246.257	3.774	1	2	1	Cc1cc(-c2cc(C(F)(F)F)[nH]n2)c(C)s1
398245781	ZINC000649444128	mid	6.04	-4.27	0	246.257	3.774	1	2	1	Cc1cc(-c2cc(C(F)(F)F)n[nH]2)c(C)s1
342080645	ZINC000625324981	ref	3.32	-42.94	1	284.322	1.394	2	2	8	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@@H](C)CO
214187749	ZINC000337631245	ref	0.55	-16.82	0	273.377	0.86	3	3	9	CC(C)COCCCNC(=O)NCC(C)(C)C(N)=O
342080646	ZINC000625324981	high	2.36	-10.65	0	284.322	1.394	2	3	8	CCCN(CC(F)(F)F)C(=O)CN[C@@H](C)[C@@H](C)CO
342080647	ZINC000625324782	ref	2.39	-8.85	0	278.418	1.225	1	3	7	CC(C)CN(C)S(=O)(=O)NCC[C@@H]1CCCOC1
136229333	ZINC000293014817	mid	6.42	-35.03	1	221.275	1.814	2	1	4	CC#CC[N@@H+](C)C[C@@H](O)c1ccccc1F
168364916	ZINC000368498475	ref	10.12	-46.17	1	340.471	3.466	1	4	6	COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1
192038003	ZINC000418463166	ref	3.01	-51.74	1	239.319	1.577	2	2	5	C[C@H](C[NH3+])CNC(=O)N(C)[C@H](C)c1ccco1
214187754	ZINC000337631050	ref	5.22	-6.01	0	295.408	2.257	2	4	3	CCc1nc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C)sc1C
342080648	ZINC000625324531	ref	4.66	-12.35	0	263.341	1.049	1	4	2	Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H]1CCCOC1)CC2
342080649	ZINC000625324531	low	5.09	-36.51	1	263.341	1.049	1	3	2	Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H]1CCCOC1)CC2
342080650	ZINC000625324982	ref	3.24	-43.01	1	284.322	1.394	2	2	8	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)[C@@H](C)CO
342080651	ZINC000625324982	high	2.15	-10.39	0	284.322	1.394	2	3	8	CCCN(CC(F)(F)F)C(=O)CN[C@H](C)[C@@H](C)CO
342080652	ZINC000625324492	ref	3.11	-8.8	0	290.429	1.368	1	3	7	C[C@@H](C1CC1)N(C)S(=O)(=O)NCC[C@@H]1CCCOC1
342080653	ZINC000625324533	ref	4.66	-12.37	0	263.341	1.049	1	4	2	Cc1cn2c(n1)C[C@@H](C(=O)N[C@H]1CCCOC1)CC2
342080654	ZINC000625324533	low	5.09	-36.42	1	263.341	1.049	1	3	2	Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H]1CCCOC1)CC2
342080655	ZINC000625324781	ref	2.38	-8.98	0	278.418	1.225	1	3	7	CC(C)CN(C)S(=O)(=O)NCC[C@H]1CCCOC1
342080656	ZINC000625324549	ref	2.99	-9.92	0	263.403	1.769	1	3	5	CC(C)(C)CS(=O)(=O)NCC[C@H]1CCCOC1
342596951	ZINC000590783992	ref	3.58	-9.42	0	292.726	1.556	1	4	1	CC1(C)CCN1C(=O)C(=O)Nc1cnc(C#N)c(Cl)c1
197594864	ZINC000162830378	ref	11.14	-25.73	0	312.373	2.173	1	5	2	Cc1cc2c(cc1C)O[C@H](C(=O)Nc1nnc3n1CCCC3)C2
185089322	ZINC000096077020	mid	7.32	-12.45	0	291.395	2.268	0	4	2	Cc1noc(C)c1CN1CCC[C@@]2(CCCC(=O)N2C)C1
185089323	ZINC000096078768	ref	5.33	-9.67	0	296.374	2.318	2	3	1	Cc1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)[nH]n1
197594865	ZINC000162826610	ref	5.68	-12.09	0	316.401	3.164	2	3	4	CCOc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1
342596952	ZINC000590784421	ref	4.34	-51.18	1	262.353	1.319	3	2	4	CC(=O)NCCC[N@@H+]1CCc2ccc(O)cc2CC1
365619360	ZINC000121816123	ref	9.55	-13.63	0	278.4	2.493	1	3	6	CC[C@@H]1CCC[C@@H]1NC(=O)N(C)CCCn1ccnc1
342596953	ZINC000590784421	mid	4.34	-51.54	1	262.353	1.319	3	2	4	CC(=O)NCCC[N@H+]1CCc2ccc(O)cc2CC1
365619366	ZINC000121816123	low	10.06	-37.96	1	278.4	2.493	1	2	6	CC[C@@H]1CCC[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1
214187751	ZINC000278489905	ref	4.87	-13.41	0	303.366	1.069	1	6	3	Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@H]1CCOC[C@@H]1C
365619372	ZINC000121814233	ref	7.56	-10.57	0	285.322	2.236	1	2	1	O=C(c1n[nH]c2c1CCC2)N1CCc2ccc(F)cc2C1
365619380	ZINC000121821270	ref	7.86	-9.35	0	293.363	2.401	1	4	6	COc1ccccc1C(=O)N[C@H](C(=O)OC(C)C)C(C)C
365619385	ZINC000121820280	ref	6.4	-33.54	1	290.407	2.356	1	2	5	COc1ccccc1CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+]
365619390	ZINC000121817460	ref	5.89	-14.56	0	296.754	2.064	1	4	6	CCOC(=O)[C@@H](C)CNC(=O)/C=C/c1ccc(Cl)nc1
365619396	ZINC000121820470	ref	6.0	-10.71	0	276.384	2.06	1	3	2	Cc1c(CNC(=O)N2C[C@@H]3CCCC[C@H]3C2)cnn1C
365619400	ZINC000121816105	ref	6.93	-42.61	1	290.407	2.356	1	2	5	CCc1ccccc1OCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+]
365619405	ZINC000121813883	ref	3.96	-39.86	1	282.331	2.319	2	3	6	CC(C)[N@H+](CCc1nccs1)C[C@H](O)C(F)(F)F
365619410	ZINC000121813883	mid	4.08	-40.24	1	282.331	2.319	2	3	6	CC(C)[N@@H+](CCc1nccs1)C[C@H](O)C(F)(F)F
365619414	ZINC000121813883	mid	1.79	-5.35	0	282.331	2.319	1	4	6	CC(C)N(CCc1nccs1)C[C@H](O)C(F)(F)F
168364917	ZINC000062999097	ref	5.49	-36.53	1	221.344	2.746	2	1	7	CCC(CC)C[NH2+][C@H](CO)c1ccccc1
365619419	ZINC000121821009	ref	8.18	-41.57	1	260.381	2.414	2	1	8	C=C[C@H](CC(=O)NCCC[NH+](C)C)c1ccccc1
365619426	ZINC000121816119	ref	5.81	-10.45	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2C[C@@H](C)CC[C@H]2C)cnn1C
214187755	ZINC000278491060	ref	6.26	-45.13	1	324.38	1.914	2	3	6	Cc1cccc([C@@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1
214187756	ZINC000278491060	high	4.85	-10.7	0	324.38	1.914	2	4	6	Cc1cccc([C@@H](O)CNCCN2C(=O)c3ccccc3C2=O)c1
343994121	ZINC000139330943	ref	6.47	-4.94	0	145.205	2.484	0	1	0	Cc1ccc(C#N)c(C)c1C
342080657	ZINC000625324816	ref	3.99	-13.69	0	288.388	1.107	1	4	9	COCCN(CCOC)C(=O)NCC[C@@H]1CCCOC1
214187763	ZINC000278489993	ref	8.15	-65.07	1	320.458	2.009	1	3	7	O=C1C[C@@H]([NH2+]C[C@H]2CCSC2)CN1CCOc1ccccc1
342080658	ZINC000625325085	ref	2.19	-37.72	1	270.398	1.768	3	4	6	Cc1cnc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)s1
214187767	ZINC000278489326	ref	4.53	-6.54	0	308.403	2.128	2	4	5	COc1cc(SC)ccc1NC(=O)C(=O)NC[C@@H]1C[C@H]1C
214187772	ZINC000278489100	ref	4.14	-18.16	0	305.378	2.102	3	3	3	COc1cc(C)cc(NC(=O)N[C@@H]2CCCCNC2=O)c1C
214187776	ZINC000278489776	ref	7.57	-13.42	0	315.417	3.234	1	4	5	COc1cc(C)c(NC(=O)CCc2c(C)nn(C)c2C)cc1C
214187781	ZINC000278490072	ref	6.27	-14.39	0	324.349	3.106	0	6	5	CCn1c(SCOCC(F)(F)F)nc2ccsc2c1=O
214187785	ZINC000278489367	ref	6.61	-14.09	0	315.417	3.479	2	4	7	CC[C@H](C)c1ccc(NC(=O)Cn2ccnc2[C@@H](O)CC)cc1
214187789	ZINC000278489996	ref	8.14	-63.18	1	320.458	2.009	1	3	7	O=C1C[C@@H]([NH2+]C[C@@H]2CCSC2)CN1CCOc1ccccc1
342080659	ZINC000625325085	mid	1.0	-6.82	0	270.398	1.768	3	5	6	Cc1cnc([C@@H](C)NC[C@H](O)CC2(O)CCC2)s1
342080660	ZINC000157763584	ref	4.7	-47.54	1	255.362	1.387	3	2	5	CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCC1
214187793	ZINC000278489861	ref	6.01	-6.26	0	312.207	2.912	1	2	2	Cc1cc(Br)cc(C(=O)N[C@H]2CCOC[C@@H]2C)c1
342080661	ZINC000625324745	ref	3.73	-11.03	0	275.414	1.767	1	3	6	COC(C)(C)CS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
214187798	ZINC000278489481	ref	1.04	-15.05	0	314.354	2.004	2	5	5	CS[C@H](CO)[C@@H](C)NC(=O)c1ncsc1C(F)(F)F
214187802	ZINC000278490587	ref	8.87	-50.86	1	324.428	2.455	1	4	4	Cn1nccc1N1CCC[C@@H]([NH2+]CC2=Cc3ccccc3OC2)C1
214187804	ZINC000278490587	high	7.69	-7.94	0	324.428	2.455	1	5	4	Cn1nccc1N1CCC[C@@H](NCC2=Cc3ccccc3OC2)C1
342080662	ZINC000625324729	ref	4.0	-7.48	0	268.401	1.651	1	3	3	CC(C)(C)CNC(=O)CN1CCOCC2(CCC2)C1
342080663	ZINC000625324729	mid	5.97	-40.27	1	268.401	1.651	2	2	3	CC(C)(C)CNC(=O)C[N@@H+]1CCOCC2(CCC2)C1
192038005	ZINC000418431767	ref	3.53	-36.85	1	213.325	1.187	2	1	6	C=CCN(C)C(=O)N[C@H](C[NH3+])CC(C)C
365619363	ZINC000641588491	ref	-0.64	-14.78	0	293.371	1.36	1	5	3	CCC(C)(C)c1nnc(N2CC[C@H]3[C@@H](C2)NC(=O)N3C)o1
349535380	ZINC000621244143	ref	3.85	-9.06	0	252.289	2.043	2	2	5	COc1ccc(F)c(CNC(=O)NCC2CC2)c1
342596954	ZINC000590784421	high	2.44	-10.91	0	262.353	1.319	2	3	4	CC(=O)NCCCN1CCc2ccc(O)cc2CC1
342596955	ZINC000616980328	ref	8.38	-19.42	0	276.34	1.143	0	5	5	CC[C@H](C)N(CC)C(=O)Cn1nc2ccccn2c1=O
342596956	ZINC000590783874	ref	4.52	-55.51	1	299.392	1.324	0	5	6	CN(CCCS(C)(=O)=O)Cc1ccc2c(c1)OCCO2
342596957	ZINC000590783874	low	4.52	-55.49	1	299.392	1.324	1	4	6	C[N@H+](CCCS(C)(=O)=O)Cc1ccc2c(c1)OCCO2
342596958	ZINC000590783874	low	4.52	-55.51	1	299.392	1.324	1	4	6	C[N@@H+](CCCS(C)(=O)=O)Cc1ccc2c(c1)OCCO2
349535382	ZINC000621242747	ref	5.27	-8.52	0	294.42	2.31	1	4	6	CCCc1ccc([C@H]2NC3(CC3)C(=O)N2CCOC)s1
349535384	ZINC000621243299	ref	4.4	-11.05	0	281.787	2.035	0	3	3	CN(C)C(=O)C1CCN(Cc2cncc(Cl)c2)CC1
349535385	ZINC000621243299	mid	6.75	-53.65	1	281.787	2.035	1	2	3	CN(C)C(=O)C1CC[NH+](Cc2cncc(Cl)c2)CC1
349535387	ZINC000621242184	ref	8.26	-58.5	-1	297.301	2.406	1	3	7	O=C(C[C@@H](C(=O)[O-])c1ccccc1)NCC[C@H]1CC1(F)F
349535389	ZINC000621243586	ref	6.93	-50.39	1	298.39	2.031	3	2	4	Cc1nc(C)c(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]1
349535390	ZINC000621243586	mid	7.09	-51.09	1	298.39	2.031	3	2	4	Cc1nc(C)c(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH]1
349535392	ZINC000621243586	mid	4.61	-10.73	0	298.39	2.031	2	3	4	Cc1nc(C)c(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)[nH]1
349535393	ZINC000621242614	ref	4.71	-6.15	0	282.434	2.246	1	4	3	CCCc1ccc([C@@H]2NC(=O)[C@@H]3CSCCN32)s1
349535394	ZINC000621243483	ref	4.5	-13.69	0	273.34	2.191	3	4	3	NC(=O)c1c[nH]c2ncnc(NC3CCCCCC3)c12
349535396	ZINC000621243483	low	4.86	-32.83	1	273.34	2.191	3	3	3	NC(=O)c1c[nH]c2nc[nH+]c(NC3CCCCCC3)c12
349535398	ZINC000621243041	ref	6.19	-8.57	0	291.326	2.413	0	5	3	C[C@H]1CN(c2noc(Cc3ccc(F)cc3)n2)C[C@@H](C)O1
349535399	ZINC000621243510	ref	7.48	-7.41	0	289.354	2.467	1	4	8	CCOCCCNc1ccnc(Cc2ccc(F)cc2)n1
349535401	ZINC000621243465	ref	4.52	-8.69	0	260.341	2.065	1	5	8	CCCCOCCCNc1nccc2nccnc12
349535403	ZINC000621242613	ref	5.9	-52.14	-1	264.306	2.148	0	6	2	Cc1cc(-c2nc3n(c2C(=O)[O-])CCOC3)cs1
229489061	ZINC000310088437	ref	7.45	-2.77	0	233.355	3.537	1	2	4	CCc1ccc(N[C@H](C)[C@H]2CCCO2)cc1C
214187757	ZINC000293601208	ref	2.82	-52.12	1	371.503	0.337	4	4	9	Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](C)O)cc1
214187761	ZINC000293615158	ref	2.47	-11.16	0	363.414	0.926	3	5	5	CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)cc1
214187764	ZINC000293612524	ref	3.72	-18.0	0	370.413	0.815	2	7	2	Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)c1
178304166	ZINC000237256606	ref	5.5	-52.1	1	358.442	1.845	3	3	5	C[NH2+]Cc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1
185089325	ZINC000096078768	mid	5.5	-10.15	0	296.374	2.318	2	3	1	Cc1cc(C(=O)N2CCC3(CC2)CNc2ccccc23)n[nH]1
282123182	ZINC000413697896	ref	2.43	-7.18	0	300.443	2.288	3	3	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@@](C)(OC)C1CC1
178304170	ZINC000237256606	high	4.06	-14.08	0	358.442	1.845	3	4	5	CNCc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)c1
214187770	ZINC000293609078	ref	3.41	-28.98	0	356.404	0.499	1	6	6	CN(C(=O)CNc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1
178304173	ZINC000237260089	ref	7.58	-56.73	1	365.861	1.775	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC[NH2+]CC1
214187774	ZINC000293603551	ref	3.2	-13.31	0	350.327	0.388	1	7	4	COC[C@H]1CCN1C(=O)C(=O)Nc1cc2c(cc1C(=O)OC)OCO2
214187777	ZINC000293609483	ref	2.58	-74.99	0	356.426	0.909	3	3	2	C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)C2)C1
168364919	ZINC000368498475	high	9.37	-12.9	0	340.471	3.466	1	5	6	COc1ccc([C@H]2C[C@@H]2[C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1
214187780	ZINC000293609483	mid	4.22	-48.45	1	356.426	0.909	3	3	2	C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)C2)C1
214187784	ZINC000293609483	high	2.56	-74.75	0	356.426	0.909	2	3	2	C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
214187787	ZINC000293609483	high	2.58	-74.99	0	356.426	0.909	2	3	2	C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
342080664	ZINC000625324729	mid	6.23	-38.89	1	268.401	1.651	2	2	3	CC(C)(C)CNC(=O)C[N@H+]1CCOCC2(CCC2)C1
178304176	ZINC000237260089	high	6.27	-19.75	0	365.861	1.775	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCCNCC1
214187796	ZINC000293603372	ref	0.68	-15.6	0	368.344	0.541	2	7	8	Cn1ncc(CCCNC(=O)C(=O)Nc2cccnc2OCC(F)F)n1
192038007	ZINC000418461606	ref	4.27	-51.75	1	247.408	1.364	2	2	7	CC[C@@H](CSC)N(C)C(=O)NC[C@H](C)C[NH3+]
197594879	ZINC000162835584	ref	7.93	-9.53	0	311.472	2.804	0	4	4	O=C(CCCc1cccs1)N1CCS[C@@H]2COCC[C@H]21
214187758	ZINC000337629448	ref	2.08	-13.9	0	286.328	-0.269	2	5	3	COC(=O)[C@H](O)C1CCN(C(=O)N[C@H]2CCOC2)CC1
342596959	ZINC000590783905	ref	4.52	-50.69	1	269.366	1.316	0	4	4	CS(=O)(=O)CCCN1CCOc2ccccc2C1
214187762	ZINC000337630965	ref	5.44	-84.26	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12
214187765	ZINC000337630965	mid	5.11	-86.01	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12
342596960	ZINC000590783905	low	4.53	-50.72	1	269.366	1.316	1	3	4	CS(=O)(=O)CCC[N@@H+]1CCOc2ccccc2C1
197594886	ZINC000162833801	ref	10.79	-21.34	0	314.389	3.044	1	5	5	CC[C@@H](C)Oc1ccc(C(=O)Nc2nnc3n2CCCC3)cc1
214187768	ZINC000337630965	mid	2.25	-39.65	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12
192038009	ZINC000418463130	ref	2.01	-52.05	1	243.351	0.648	2	2	4	CC(C)[C@@H]1CN(C(=O)NC[C@@H](C)C[NH3+])CCO1
342596961	ZINC000590783905	low	4.52	-50.69	1	269.366	1.316	1	3	4	CS(=O)(=O)CCC[N@H+]1CCOc2ccccc2C1
214187771	ZINC000337630965	mid	1.92	-41.94	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12
342596962	ZINC000590797757	ref	4.45	-11.89	0	279.296	1.89	2	4	2	Cc1c(NC(=O)N2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-]
214187775	ZINC000337629132	ref	2.53	-43.68	1	273.377	0.435	3	3	10	COCCOCCNC(=O)NCCC[NH+]1CCCC1
214187778	ZINC000337629387	ref	3.39	-10.81	0	292.339	0.183	0	5	4	CN(C)Cc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)no1
214187783	ZINC000337629387	mid	5.87	-48.51	1	292.339	0.183	1	4	4	C[NH+](C)Cc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)no1
214187786	ZINC000337628599	ref	1.0	-11.17	0	273.358	0.223	1	6	7	CSc1c(C(=O)N(C)CCOCCO)cnn1C
214187791	ZINC000337631937	ref	7.97	-42.87	1	274.474	2.468	2	2	8	CSCC(C)(C)C(=O)N[C@@H](CC(C)C)C[NH+](C)C
214187794	ZINC000337631937	high	5.37	-4.17	0	274.474	2.468	1	3	8	CSCC(C)(C)C(=O)N[C@@H](CC(C)C)CN(C)C
214187797	ZINC000337630178	ref	8.17	-12.49	0	279.388	2.407	2	4	5	CC[C@H](C)[C@H](C)NC(=O)Nc1nc(C)cc(N(C)C)n1
412491605	ZINC000548582974	ref	0.81	-8.73	0	310.354	-0.082	2	7	6	COCCO[C@@H]1COCC[C@@H]1NC(=O)c1cnc(C)nc1N
412491607	ZINC000625691741	ref	0.44	-11.61	0	305.356	-0.009	1	7	4	COC[C@@]1(C)CN(S(=O)(=O)c2c(N)noc2C)CCO1
349535397	ZINC000621495842	ref	8.65	-11.92	0	275.392	3.207	1	2	5	Cc1ccc(COCC(=O)N[C@H]2CCC[C@@H](C)C2)cc1
342596963	ZINC000590782716	ref	5.93	-11.47	0	285.347	1.996	2	3	4	C[C@@H](NC(=O)C(=O)Nc1cccc(CC#N)c1)C1CCC1
342080665	ZINC000157763731	ref	4.85	-46.59	1	255.362	1.387	3	2	5	CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)C1CCC1
290622803	ZINC000353296482	ref	6.66	-12.87	0	279.409	3.332	2	3	2	C[C@H]1CC[C@@H]1NC(=O)Nc1nc2c(s1)CCCCC2
342080666	ZINC000625325070	ref	-1.71	-16.04	0	254.334	1.191	2	5	5	Cc1nnc([C@@H](C)NCC(=O)NCC(C)(C)C)o1
290622807	ZINC000456059327	ref	5.02	-4.78	0	316.142	2.215	1	2	2	C[C@H]1CC[C@@H]1NC(=O)c1ccc(I)cn1
398245762	ZINC000650859941	ref	4.12	-11.99	0	292.379	1.965	2	3	5	C[C@H](CCO)N(C)C(=O)NC[C@@H]1CCOc2ccccc21
342080667	ZINC000625325070	low	-0.55	-48.11	1	254.334	1.191	2	4	5	Cc1nnc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)o1
365619367	ZINC000623042208	ref	4.07	-11.63	0	320.364	1.175	2	3	6	O=C(N[C@@H](CO)C(=O)N1CC(CC2CC2)C1)c1ccc(F)cc1
365619375	ZINC000623040282	ref	3.46	-42.42	-1	314.382	1.973	1	3	5	CC1CC(CNC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)C1
342080668	ZINC000625324852	ref	3.77	-10.22	0	298.184	1.508	0	3	3	CCN1CCN(Cc2ccncc2Br)CC1=O
365638639	ZINC000336554862	ref	6.44	-34.12	1	251.326	2.14	1	3	3	Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H]2COCCO2)o1
398245766	ZINC000650859127	ref	1.52	-11.06	0	281.4	1.025	2	3	2	C[C@@H]1CC[C@@H](NC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1
365638643	ZINC000336554862	mid	6.39	-32.04	1	251.326	2.14	1	3	3	Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2COCCO2)o1
190494105	ZINC000269431411	ref	4.7	-10.29	0	257.333	2.44	2	2	4	C[C@H](CO)NC(=O)[C@H](C)c1ccc2ccccc2c1
342080669	ZINC000625324708	ref	3.91	-10.32	0	275.414	1.767	1	3	7	COCC[C@H](C)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080670	ZINC000625324674	ref	3.41	-9.55	0	255.339	1.994	1	3	4	O=S(=O)(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccoc1
365638646	ZINC000336554862	high	4.18	-7.44	0	251.326	2.14	0	4	3	Cc1ccc([C@H]2CCCN2C[C@@H]2COCCO2)o1
342080671	ZINC000625324586	ref	1.7	-13.31	0	253.339	1.082	1	3	7	O=S(=O)(CCCF)NCC[C@H]1CCCOC1
365638648	ZINC000336554864	ref	6.65	-32.54	1	251.326	2.14	1	3	3	Cc1ccc([C@H]2CCC[N@@H+]2C[C@H]2COCCO2)o1
214187759	ZINC000053518630	ref	7.12	-13.07	0	337.423	2.35	2	2	5	O=C1CN(C(=O)NCCC(c2ccccc2)c2ccccc2)CCN1
365638652	ZINC000336554864	mid	6.25	-30.88	1	251.326	2.14	1	3	3	Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2COCCO2)o1
365638654	ZINC000336554864	high	3.97	-6.49	0	251.326	2.14	0	4	3	Cc1ccc([C@H]2CCCN2C[C@H]2COCCO2)o1
342080672	ZINC000625324726	ref	1.97	-10.99	0	289.319	1.675	1	3	6	O=S(=O)(CCC(F)(F)F)NCC[C@@H]1CCCOC1
342080673	ZINC000625324983	ref	3.26	-43.44	1	284.322	1.394	2	2	8	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)[C@H](C)CO
361823575	ZINC000599877271	ref	3.83	-18.02	0	269.304	0.934	2	3	3	N#CC1(CNC(=O)[C@@H]2CNC(=O)c3ccccc32)CC1
361823583	ZINC000599873963	ref	2.75	-25.71	0	299.396	0.468	1	4	5	CS(=O)(=O)N1CCC[C@H](C(=O)NCC2(CC#N)CC2)C1
361823591	ZINC000599875062	ref	5.0	-12.99	0	259.693	0.707	0	5	3	COC(=O)[C@H](C)N(C)C(=O)c1nn(C)cc1Cl
361823595	ZINC000599864997	ref	5.47	-52.91	1	292.339	0.048	2	5	6	COC(=O)c1cnn(CC(=O)NCC[N@H+]2CC=CCC2)c1
361823603	ZINC000599864997	mid	5.47	-52.89	1	292.339	0.048	2	5	6	COC(=O)c1cnn(CC(=O)NCC[N@@H+]2CC=CCC2)c1
197594889	ZINC000290098434	ref	5.03	-9.61	0	284.718	3.334	0	4	4	COC(C)(C)c1nc(Cc2cccc(Cl)c2F)no1
282123183	ZINC000117031627	mid	5.89	-41.76	1	346.475	1.017	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2)CCO1
361823608	ZINC000599864997	mid	3.21	-17.9	0	292.339	0.048	1	6	6	COC(=O)c1cnn(CC(=O)NCCN2CC=CCC2)c1
342080674	ZINC000625324983	high	2.2	-10.77	0	284.322	1.394	2	3	8	CCCN(CC(F)(F)F)C(=O)CN[C@@H](C)[C@H](C)CO
342080675	ZINC000625324509	ref	2.96	-10.17	0	263.403	1.769	1	3	7	CC[C@H](C)CS(=O)(=O)NCC[C@@H]1CCCOC1
178304182	ZINC000237264792	ref	9.01	-69.94	-1	355.394	1.675	0	6	4	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1
342080676	ZINC000625324534	ref	4.66	-12.41	0	263.341	1.049	1	4	2	Cc1cn2c(n1)C[C@H](C(=O)N[C@@H]1CCCOC1)CC2
342080677	ZINC000625324534	low	5.09	-36.44	1	263.341	1.049	1	3	2	Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H]1CCCOC1)CC2
342080678	ZINC000625324494	ref	3.04	-9.45	0	290.429	1.368	1	3	7	C[C@H](C1CC1)N(C)S(=O)(=O)NCC[C@H]1CCCOC1
342080679	ZINC000625324773	ref	1.43	-11.75	0	279.402	1.149	1	4	9	COCCCCS(=O)(=O)NCC[C@@H]1CCCOC1
342080680	ZINC000625324590	ref	3.64	-19.85	0	291.273	1.506	1	4	3	Cc1cn(CC(=O)N[C@H]2CCCOC2)nc1C(F)(F)F
342080681	ZINC000625325184	ref	-0.13	-10.6	0	281.743	1.602	3	5	5	Cn1cc([C@@H](CO)NCc2cc(O)ccc2Cl)cn1
342080682	ZINC000625325184	low	1.04	-42.26	1	281.743	1.602	3	4	5	Cn1cc([C@@H](CO)[NH2+]Cc2cc(O)ccc2Cl)cn1
342080683	ZINC000625325184	high	0.57	-47.37	-1	281.743	1.602	2	5	5	Cn1cc([C@@H](CO)NCc2cc([O-])ccc2Cl)cn1
342080684	ZINC000625324938	ref	3.71	-9.01	0	266.366	1.796	1	3	4	O=S(=O)(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccncc1
342080685	ZINC000625324815	ref	3.99	-13.65	0	288.388	1.107	1	4	9	COCCN(CCOC)C(=O)NCC[C@H]1CCCOC1
342080686	ZINC000625324847	ref	3.09	-48.66	1	268.332	1.757	2	2	7	CO[C@H](C[NH2+]C(C)(C)CC(N)=O)c1ccc(F)cc1
342080687	ZINC000625324847	high	1.71	-7.58	0	268.332	1.757	2	3	7	CO[C@H](CNC(C)(C)CC(N)=O)c1ccc(F)cc1
178304189	ZINC000035601486	ref	3.18	-52.44	1	248.33	1.378	2	4	4	Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)O)c(C)n2n1
398245769	ZINC000650859127	mid	3.89	-47.14	1	281.4	1.025	3	2	2	C[C@@H]1CC[C@@H](NC(=O)N2CC([N@@H+]3CC[C@@H](O)C3)C2)CC1
398245772	ZINC000650859127	mid	3.96	-45.88	1	281.4	1.025	3	2	2	C[C@@H]1CC[C@@H](NC(=O)N2CC([N@H+]3CC[C@@H](O)C3)C2)CC1
178304192	ZINC000035601486	high	2.02	-9.0	0	248.33	1.378	2	5	4	Cc1cc2ncc([C@H](C)NC[C@@H](C)O)c(C)n2n1
178304193	ZINC000020086302	ref	7.21	-51.5	1	244.342	2.407	1	3	4	Cc1cc2ncc([C@H](C)[NH2+]CC3CC3)c(C)n2n1
178304196	ZINC000228036170	ref	4.73	-11.18	0	246.27	1.124	0	5	1	Cc1cc2ncc(C(=O)N3CCCO3)c(C)n2n1
398245774	ZINC000650858953	ref	3.2	-8.93	0	298.383	1.001	1	4	5	CC1(C)CN(C(=O)NCCOCC2CC2)[C@@H]2COC[C@H]2O1
178304204	ZINC000072416549	ref	4.73	-12.15	0	225.251	2.41	1	4	1	Cc1cc2nccc(-c3ccc(O)cc3)n2n1
178304208	ZINC000019130286	ref	3.21	-61.84	0	218.26	0.432	1	3	0	Cc1cc2nc3c(c(=O)n2[n-]1)CC[NH2+]CC3
398245778	ZINC000650859898	ref	0.84	-10.9	0	270.373	1.407	3	3	5	CC1(CNC(=O)NCC[C@]2(O)CCOC2)CCCC1
398245782	ZINC000650859105	ref	4.21	-7.67	0	270.373	1.527	2	3	10	C[C@H](COCC1CC1)NC(=O)NCCOCC1CC1
178304212	ZINC000019130286	low	3.32	-49.76	1	218.26	0.432	2	3	0	Cc1cc2nc3c(c(=O)n2[nH]1)CC[NH2+]CC3
178304214	ZINC000070249157	ref	4.29	-10.0	0	232.287	1.484	1	4	2	Cc1cc2ncc(C(=O)NC(C)C)c(C)n2n1
136229334	ZINC000293011599	ref	3.02	-7.78	0	226.32	1.466	2	2	4	CC#CC[N@H+](C)CCNC(=O)OC(C)(C)C
136229335	ZINC000293011599	mid	5.38	-41.24	1	226.32	1.466	2	2	4	CC#CC[N@@H+](C)CCNC(=O)OC(C)(C)C
178304217	ZINC000072451592	ref	7.97	-10.47	0	243.697	3.358	0	3	1	Cc1cc2nccc(-c3ccccc3Cl)n2n1
178304221	ZINC000000191589	ref	7.84	-38.76	1	249.383	2.833	2	2	4	Cc1cc2nc(SCC[NH+](C)C)[nH]c2cc1C
178304224	ZINC000000191589	high	5.37	-6.77	0	249.383	2.833	1	3	4	Cc1cc2nc(SCCN(C)C)[nH]c2cc1C
398245787	ZINC000650858179	ref	0.4	-8.47	0	275.349	1.532	3	4	6	Cc1nc([C@@H](C)NC(=O)N[C@H](CO)CCF)cs1
398245791	ZINC000650859405	ref	5.09	-13.67	0	281.4	1.734	2	2	5	CCN1C[C@H](CNC(=O)NCC2(C)CCCC2)CC1=O
178304230	ZINC000001399475	ref	8.17	-7.98	0	243.697	3.358	0	3	1	Cc1cc2ncc(-c3cccc(Cl)c3)cn2n1
136229336	ZINC000293011599	mid	3.02	-7.78	0	226.32	1.466	1	3	4	CC#CCN(C)CCNC(=O)OC(C)(C)C
398245793	ZINC000650859055	ref	5.01	-8.68	0	270.373	1.622	1	3	6	CC[C@H]1CN(C(=O)NCCOCC2CC2)[C@@H](C)CO1
343994122	ZINC000610716655	ref	6.65	-6.19	0	238.312	3.037	0	4	2	O=[N+]([O-])c1ccc(N2CCC3(CCC3)C2)s1
214187766	ZINC000053521186	ref	2.73	-19.49	0	343.453	0.177	1	5	5	Cc1cc(C)n(CCCNC(=O)N2CCN(S(C)(=O)=O)CC2)n1
214187769	ZINC000053526759	ref	5.82	-15.24	0	331.441	2.22	3	3	4	CC[C@]1(c2ccc(NC(=S)NC3CC3)cc2)CCC(=O)NC1=O
282123186	ZINC000151684082	ref	7.79	-6.48	0	306.41	2.269	1	4	4	CCCn1nccc1NC(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1C
342080688	ZINC000625324507	ref	2.95	-10.36	0	263.403	1.769	1	3	7	CC[C@H](C)CS(=O)(=O)NCC[C@H]1CCCOC1
282123202	ZINC000151688349	ref	8.04	-18.63	0	323.397	2.402	1	5	7	CCC[C@@H](C)[C@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1
282123210	ZINC000151691667	ref	6.83	-15.58	0	315.421	2.014	1	5	6	CCn1nccc1/C=C/C(=O)N[C@H](C)Cc1c(C)nn(C)c1C
214187773	ZINC000053552156	ref	7.58	-13.63	0	343.387	2.551	2	6	7	CCNC(=O)[C@@H](C)Nc1cc(CC)nc(-c2ccc([N+](=O)[O-])cc2)n1
214187779	ZINC000053525464	ref	7.22	-23.92	0	347.338	0.637	2	7	4	O=C(Cn1ncc(=O)c2ccccc21)Nc1nc(-c2ccccn2)n[nH]1
214187782	ZINC000053525464	high	7.05	-60.76	-1	347.338	0.637	1	7	4	O=C(Cn1ncc(=O)c2ccccc21)Nc1nc(-c2ccccn2)n[n-]1
214187788	ZINC000053552584	ref	5.13	-14.49	0	336.436	2.297	1	5	3	CCOC(=O)N[C@H]1CCCN(C(=O)c2cnn(C(C)(C)C)c2C)C1
178304190	ZINC000237247633	ref	4.53	-57.96	1	371.478	1.424	1	3	7	CN(CCCC(=O)N1CCC[C@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1
342080689	ZINC000625324678	ref	3.96	-41.68	1	251.359	1.473	1	5	5	Cc1cnc([C@H](C)[NH2+]CCc2cn(C)nn2)s1
197594909	ZINC000162833518	ref	4.83	-3.79	0	305.603	2.706	1	3	2	OCC1CCN(c2ncc(Cl)cc2Br)CC1
178304195	ZINC000237264155	ref	6.13	-51.05	1	361.49	1.404	2	4	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2cnn(CC(=O)NC3CCCCC3)c2)C1
342080690	ZINC000625324678	mid	2.71	-11.36	0	251.359	1.473	1	6	5	Cc1cnc([C@H](C)NCCc2cn(C)nn2)s1
342080691	ZINC000625324488	ref	3.05	-9.33	0	290.429	1.368	1	3	7	C[C@H](C1CC1)N(C)S(=O)(=O)NCC[C@@H]1CCCOC1
342080692	ZINC000625324709	ref	3.9	-10.26	0	275.414	1.767	1	3	7	COCC[C@H](C)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080693	ZINC000625325089	ref	0.91	-37.49	1	270.398	1.768	3	4	6	Cc1cnc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)s1
342080694	ZINC000625325089	mid	-0.39	-7.2	0	270.398	1.768	3	5	6	Cc1cnc([C@H](C)NC[C@@H](O)CC2(O)CCC2)s1
342080695	ZINC000625324871	ref	2.53	-9.79	0	296.333	1.634	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CCC[C@]1(C)CO
346818843	ZINC000611564881	ref	3.19	-6.98	0	275.761	1.091	0	6	3	COC(=O)CN1CCN(c2ncc(Cl)s2)CC1
343994124	ZINC000139399585	ref	5.82	-5.96	0	197.159	3.254	0	1	0	FC(F)(F)c1cncc2ccccc12
349536186	ZINC000258944191	ref	7.55	-6.45	0	230.296	2.046	0	5	3	CN(Cc1cccs1)c1cc(C#N)ncn1
365619368	ZINC000479687370	ref	5.23	-9.61	0	290.363	1.44	1	3	7	CN(C)C(=O)C1(C(=O)NCCCOc2ccccc2)CC1
342080696	ZINC000625324871	mid	4.69	-35.2	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@]1(C)CO
214187792	ZINC000053534353	ref	10.0	-13.09	0	344.455	4.265	2	2	3	C[C@@H](NC(=S)N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1
214187795	ZINC000053527196	ref	3.0	-14.6	0	348.447	1.049	2	4	7	CCOc1ccc(CN2CCN(C(=O)NCCNC(C)=O)CC2)cc1
342080697	ZINC000625324871	mid	4.66	-34.35	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@]1(C)CO
282123188	ZINC000117031627	high	3.43	-11.24	0	346.475	1.017	1	4	5	CN(C)C[C@@H]1CN(C(=O)NCCN2CCc3ccccc3C2)CCO1
282123196	ZINC000356117109	ref	8.72	-43.22	1	315.417	1.863	1	3	6	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CCO1
342080698	ZINC000625324883	ref	7.73	-40.78	1	290.411	1.722	1	4	6	CCO[C@H](C[NH+]1CCN(c2ccnc(C)n2)CC1)C1CC1
342080699	ZINC000625324883	mid	5.2	-5.29	0	290.411	1.722	0	5	6	CCO[C@H](CN1CCN(c2ccnc(C)n2)CC1)C1CC1
342080700	ZINC000625324883	low	8.17	-88.1	2	290.411	1.722	1	3	6	CCO[C@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)C1CC1
342080701	ZINC000625324599	ref	3.45	-12.43	0	294.351	1.326	1	5	3	Cc1cc(C2(C(=O)N[C@H]3CCCOC3)CCOCC2)on1
342080702	ZINC000625324882	ref	7.74	-40.71	1	290.411	1.722	1	4	6	CCO[C@@H](C[NH+]1CCN(c2ccnc(C)n2)CC1)C1CC1
342080703	ZINC000625324882	mid	5.29	-6.26	0	290.411	1.722	0	5	6	CCO[C@@H](CN1CCN(c2ccnc(C)n2)CC1)C1CC1
342080704	ZINC000625324882	low	8.19	-87.39	2	290.411	1.722	1	3	6	CCO[C@@H](C[NH+]1CCN(c2cc[nH+]c(C)n2)CC1)C1CC1
342080705	ZINC000625324989	ref	3.11	-43.2	1	264.369	1.47	3	2	7	C[C@H](CO)[C@H](C)[NH2+]CC(=O)N[C@H](C)c1ccccc1
342080706	ZINC000625324989	high	2.04	-9.88	0	264.369	1.47	3	3	7	C[C@H](CO)[C@H](C)NCC(=O)N[C@H](C)c1ccccc1
342080707	ZINC000625324805	ref	8.29	-38.38	1	294.374	1.553	1	4	6	CCO[C@@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)C1CC1
342080708	ZINC000625324805	mid	5.85	-4.87	0	294.374	1.553	0	5	6	CCO[C@@H](CN1CCN(c2ncc(F)cn2)CC1)C1CC1
342080709	ZINC000625325209	ref	3.15	-8.87	0	261.387	1.377	1	3	6	COC[C@H](C)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
398245773	ZINC000651445189	ref	5.01	-10.37	0	271.32	3.377	0	5	3	Cc1nnc(N(C)Cc2oc3c(C)cccc3c2C)o1
398245777	ZINC000651435049	ref	5.59	-7.06	0	274.349	3.298	0	6	3	CCn1nc(C)cc1-c1nc(-c2ccc(C)s2)no1
398245779	ZINC000651438496	ref	6.97	-48.36	1	255.365	3.253	1	2	4	Cc1ccc([C@@H](C)[NH2+]Cc2cnccc2C)c(C)n1
398245783	ZINC000651438496	mid	5.9	-6.57	0	255.365	3.253	1	3	4	Cc1ccc([C@@H](C)NCc2cnccc2C)c(C)n1
178304198	ZINC000237254482	ref	4.46	-57.01	1	373.457	1.501	2	6	7	COc1ccc(CCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1OC
398245785	ZINC000651438512	ref	5.23	-58.48	1	283.331	3.088	2	3	4	Cc1ccncc1C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1
214187799	ZINC000053527196	low	5.41	-52.82	1	348.447	1.049	3	3	7	CCOc1ccc(C[NH+]2CCN(C(=O)NCCNC(C)=O)CC2)cc1
214187806	ZINC000053530053	ref	5.66	-53.29	1	339.237	1.31	1	4	6	CN(C)CC[NH2+]CCn1cnc2ccc(Br)cc2c1=O
178304203	ZINC000237260455	ref	3.96	-63.26	1	354.472	1.944	2	4	6	COC(=O)c1cccc(CS(=O)(=O)NCC2([NH3+])CCCCCC2)c1
178304207	ZINC000237249765	ref	3.12	-65.27	1	356.488	1.094	1	4	9	COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1
168364920	ZINC000095973168	ref	5.26	-47.66	1	228.336	1.853	1	2	5	CCC(CC)C[NH2+][C@H]1CCN(C(=O)OC)C1
178304210	ZINC000237249765	mid	2.81	-20.07	0	356.488	1.094	1	5	9	COc1ccc(C[C@@H](C)CN(C)C(=O)[C@@H](N)CCS(C)(=O)=O)cc1
398245788	ZINC000651438512	mid	4.11	-10.36	0	283.331	3.088	2	4	4	Cc1ccncc1CN[C@H](C)c1ccc2[nH]c(=O)oc2c1
192038011	ZINC000418428834	ref	-0.67	-46.99	1	245.367	0.82	4	2	7	CCC([NH3+])(CC)CNC(=O)N[C@H](CO)C(C)C
178304215	ZINC000237264581	ref	9.69	-69.63	-1	369.421	1.984	0	6	4	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1
178304219	ZINC000237251488	ref	6.33	-77.57	-1	350.396	1.955	0	7	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2csc(-c3ccc(C)o3)n2)C1
178304225	ZINC000237251392	ref	8.15	-72.69	-1	360.435	1.977	0	6	6	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2csc(Cc3ccccc3)n2)C1
178304232	ZINC000237248270	ref	5.36	-60.48	1	361.486	1.577	2	3	8	COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
178304235	ZINC000237248328	ref	5.34	-89.78	2	362.474	1.676	4	3	9	COCC[NH2+]CC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1
178304240	ZINC000237248328	mid	3.24	-49.97	1	362.474	1.676	3	4	9	COCC[NH2+]CC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1
214187800	ZINC000293611494	ref	-0.44	-17.33	0	366.374	0.354	3	5	4	N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@]23NC(=O)NC3=O)cc1F
214187805	ZINC000293611765	ref	-0.14	-29.89	0	371.397	0.474	4	6	6	CC1(C)C(=O)Nc2cc(C(=O)Nc3cnn(CC(=O)NCCO)c3)ccc21
214187810	ZINC000293609487	ref	2.58	-77.08	0	356.426	0.909	3	3	2	C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)C1
214187813	ZINC000293609487	mid	4.22	-49.12	1	356.426	0.909	3	3	2	C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)NC4=O)cc3)C2)C1
197594913	ZINC000162834228	ref	6.2	-25.69	0	304.224	1.745	1	5	4	Cn1c(=O)oc2c(C(=O)NOCCC(F)(F)F)cccc21
342596964	ZINC000590784843	ref	6.3	-47.97	1	274.364	1.415	2	2	3	O=C1CCCN1CC[N@H+]1CCc2ccc(O)cc2CC1
342596965	ZINC000590784843	mid	6.29	-44.68	1	274.364	1.415	2	2	3	O=C1CCCN1CC[N@@H+]1CCc2ccc(O)cc2CC1
342596966	ZINC000590784843	high	4.41	-11.62	0	274.364	1.415	1	3	3	O=C1CCCN1CCN1CCc2ccc(O)cc2CC1
282123189	ZINC000171335810	ref	6.54	-16.94	0	308.744	2.124	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)ccc1F)CC2
282123194	ZINC000286785546	ref	7.05	-16.14	0	322.372	1.517	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-n3cccc3)ccn1)CC2
214187817	ZINC000293609487	high	2.56	-76.68	0	356.426	0.909	2	3	2	C[N@@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
214187820	ZINC000293609487	high	2.58	-77.08	0	356.426	0.909	2	3	2	C[N@H+]1CC[C@@]2(CCN(C(=O)c3ccc([C@@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
214187823	ZINC000293608793	ref	3.39	-21.7	0	350.444	0.951	1	5	6	Cc1c(S(=O)(=O)NCCc2cccc(C(=O)N(C)C)c2)cnn1C
342596967	ZINC000590783516	ref	2.1	-9.69	0	289.335	1.081	3	4	3	Cc1cc(C#N)cc(NC(=O)C(=O)N[C@H](C)C(C)(C)O)c1
342596968	ZINC000616980395	ref	4.03	-16.98	0	261.387	1.458	0	3	4	CC[C@@H](C)N(CC)C(=O)C1CCS(=O)(=O)CC1
214187831	ZINC000293602022	ref	0.78	-15.42	0	357.354	0.913	1	6	7	Cn1cc(S(=O)(=O)NCCCO[C@@H]2CCOC2)c(C(F)(F)F)n1
214187834	ZINC000293602022	mid	0.28	-45.06	-1	357.354	0.913	0	6	7	Cn1cc(S(=O)(=O)[N-]CCCO[C@@H]2CCOC2)c(C(F)(F)F)n1
214187838	ZINC000293610120	ref	2.59	-24.0	0	355.46	0.429	1	5	9	CN(CCc1ccccn1)C(=O)CNS(=O)(=O)CC[C@@H]1CCOC1
214187843	ZINC000293609030	ref	6.07	-76.27	0	364.431	0.309	2	6	5	C[C@H](CNC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2)C[NH+](C)C
230233520	ZINC000331080222	ref	1.84	-42.43	1	284.36	-1.209	3	3	6	CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1C[NH+](C)C
365619370	ZINC000354673094	ref	7.34	-15.62	0	272.414	1.597	0	3	6	CCSCC[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1C
365619374	ZINC000354672003	ref	3.18	-9.67	0	264.325	1.098	1	4	4	CCc1ccc(C(=O)NC[C@H]2COCCO2)c(C)n1
342080710	ZINC000625325069	ref	5.19	-7.72	0	274.43	1.989	1	2	7	CCCCN(C)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
295666404	ZINC000412988275	ref	5.37	-8.51	0	322.43	2.647	1	4	4	COC(C)(C)CCN1C(=O)N[C@@]2(CCCc3sccc32)C1=O
342080711	ZINC000625324909	ref	3.25	-20.06	0	289.335	1.117	1	4	3	O=C(N[C@@H]1CCCOC1)c1cncc(N2CCCC2=O)c1
342080712	ZINC000625325091	ref	2.19	-37.43	1	270.398	1.768	3	4	6	Cc1cnc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)s1
342080713	ZINC000625325091	mid	0.96	-6.74	0	270.398	1.768	3	5	6	Cc1cnc([C@H](C)NC[C@H](O)CC2(O)CCC2)s1
342080714	ZINC000625325160	ref	2.51	-11.06	0	291.413	1.005	1	4	9	COCCOCCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
295666405	ZINC000412987463	ref	4.6	-14.72	0	324.627	2.638	0	2	2	O=S1(=O)CCCN1Cc1ccc(Cl)c(Br)c1
342080715	ZINC000625325194	ref	3.46	-11.05	0	261.387	1.377	1	3	6	CO[C@H](C)CS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
365638650	ZINC000258707725	ref	3.33	-45.35	1	252.314	1.404	1	3	5	COc1ccc(N(C)C(=O)C[C@H](C)[NH3+])cc1OC
342080716	ZINC000625324645	ref	4.17	-7.88	0	258.387	1.351	1	2	5	CN(C1CC1)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
323004639	ZINC000531121274	low	4.89	-43.14	1	240.347	1.18	2	2	7	C=CCCCC(=O)NCC[N@H+]1CCO[C@H](C)C1
342080717	ZINC000625324675	ref	3.4	-9.58	0	255.339	1.994	1	3	4	O=S(=O)(NC[C@@H]1CC[C@H]2C[C@H]2C1)c1ccoc1
365638656	ZINC000258703763	ref	4.63	-36.85	1	261.373	1.394	1	4	3	[NH3+]C[C@H]1CCCN1c1cc(N2CCCCC2)ncn1
365638661	ZINC000258703763	low	4.95	-94.93	2	261.373	1.394	1	3	3	[NH3+]C[C@H]1CCCN1c1cc(N2CCCCC2)[nH+]cn1
365638665	ZINC000189262100	ref	5.34	-39.49	1	278.343	1.503	2	2	7	CC(C)[N@@H+]1C[C@H](C)[C@@H](NC(=O)CCOCC(F)F)C1
365638670	ZINC000189262100	mid	5.18	-38.46	1	278.343	1.503	2	2	7	CC(C)[N@H+]1C[C@H](C)[C@@H](NC(=O)CCOCC(F)F)C1
185089356	ZINC000096076120	ref	11.33	-40.98	1	298.365	2.471	1	3	3	Fc1cccc(C[N@@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1
342080718	ZINC000625324806	ref	8.27	-38.44	1	294.374	1.553	1	4	6	CCO[C@H](C[NH+]1CCN(c2ncc(F)cn2)CC1)C1CC1
192038013	ZINC000418463033	ref	4.5	-36.16	1	241.379	1.944	2	1	5	CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H](C)[C@@H]1C
349536189	ZINC000258933355	ref	6.17	-7.33	0	236.265	2.748	1	2	4	N#CC1(CNCc2ccc(F)cc2F)CCC1
343994125	ZINC000625559107	ref	1.73	-7.66	0	217.315	1.603	1	3	4	C/C=C\CNS(=O)(=O)c1ccsc1
365638673	ZINC000172926606	ref	1.74	-10.5	0	292.307	1.231	2	3	4	CC(C)(NS(C)(=O)=O)C(=O)Nc1ccc(F)cc1F
342596969	ZINC000590784083	ref	5.02	-48.8	1	283.393	1.877	0	4	4	C[C@@H]1c2ccccc2OCCN1CCCS(C)(=O)=O
342596970	ZINC000590784083	low	4.78	-48.08	1	283.393	1.877	1	3	4	C[C@@H]1c2ccccc2OCC[N@H+]1CCCS(C)(=O)=O
342596971	ZINC000590784083	low	5.02	-48.8	1	283.393	1.877	1	3	4	C[C@@H]1c2ccccc2OCC[N@@H+]1CCCS(C)(=O)=O
214187807	ZINC000337629863	ref	6.83	-8.84	0	275.348	2.427	1	3	7	CCOc1ccc([C@H]2C[C@H]2NC(=O)CCC(C)=O)cc1
197594926	ZINC000162834000	ref	3.02	-53.6	1	303.156	2.17	2	3	5	C[C@@H](O)C[C@H](C[NH3+])c1ccc(Br)cc1[N+](=O)[O-]
342596972	ZINC000590785005	ref	5.0	-39.15	1	274.364	1.46	3	2	3	C[C@H](C(=O)NC1CC1)[N@@H+]1CCc2ccc(O)cc2CC1
342596973	ZINC000590785005	mid	4.92	-40.64	1	274.364	1.46	3	2	3	C[C@H](C(=O)NC1CC1)[N@H+]1CCc2ccc(O)cc2CC1
197594933	ZINC000162824690	ref	10.19	-19.51	0	310.81	2.901	1	5	4	O=C(CCc1cc(Cl)cs1)Nc1nnc2n1CCCC2
230233526	ZINC000331080222	high	1.25	-10.16	0	284.36	-1.209	2	4	6	CC(=O)NCC(=O)NCC(=O)N1CCC[C@@H]1CN(C)C
230233533	ZINC000331127928	ref	-0.58	-24.55	0	293.341	-1.006	2	6	4	COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CCCCS1(=O)=O
230233546	ZINC000331083455	ref	2.65	-24.22	0	258.274	-1.089	1	5	4	CNC(=O)CC(=O)N1C[C@H](OC)C[C@@H]1C(=O)OC
230233551	ZINC000331084374	ref	-2.04	-13.83	0	272.305	-1.226	2	5	4	COC(=O)CN1CCN(C(=O)[C@H](C)NC(N)=O)CC1
230233558	ZINC000331090030	ref	-4.73	-19.09	0	273.314	-1.225	3	5	5	CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(C)nc1
230233565	ZINC000331100774	ref	-2.62	-31.4	0	265.331	-1.233	2	5	5	O=C(CS(=O)(=O)C[C@@H](O)CO)N1CCCCC1
230233571	ZINC000331130871	ref	-1.03	-11.04	0	287.36	-1.075	1	5	6	CO[C@@H]1CN(CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1OC
230233574	ZINC000331130871	low	1.4	-39.03	1	287.36	-1.075	2	4	6	CO[C@@H]1C[NH+](CC(=O)N[C@@H](C)C(=O)N(C)C)C[C@H]1OC
230233580	ZINC000331096868	ref	1.85	-26.33	0	294.311	-1.439	0	7	4	COC(=O)CN1CCN(C(=O)Cn2cccnc2=O)CC1
230233593	ZINC000331106019	ref	-1.88	-12.22	0	274.317	-1.253	2	6	5	COC(=O)[C@@](C)(O)CNC(=O)[C@H](C)N1CCOCC1
230233600	ZINC000331078770	ref	0.01	-24.83	0	270.333	-1.597	2	4	5	CCNC(=O)CN1CCN(C(=O)CC(=O)NC)CC1
230233610	ZINC000331069425	ref	-3.13	-14.93	0	283.288	-1.523	1	6	4	COC(=O)CNC(=O)[C@H](C)N1CCN2C(=O)N=NC2C1
230233615	ZINC000331069425	mid	-0.18	-14.98	0	283.288	-1.523	2	7	4	COC(=O)CNC(=O)[C@H](C)N1CCn2c(n[nH]c2=O)C1
230233621	ZINC000331127035	ref	-0.09	-15.25	0	258.274	-1.495	2	5	4	COC(=O)[C@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)C1
230233628	ZINC000331054317	ref	3.15	-23.17	0	258.274	-1.087	1	5	4	CNC(=O)CC(=O)N1CCO[C@@H](CC(=O)OC)C1
136229337	ZINC000293202422	ref	6.2	-4.83	0	217.259	2.455	0	1	3	C=CCC(F)(F)C(=O)N1CC[C@H](C)[C@@H]1C
136229338	ZINC000293186950	ref	4.07	-7.33	0	234.299	2.338	0	3	2	C=C1CCN(C(=O)c2oc(CC)nc2C)CC1
214187808	ZINC000053530053	low	8.13	-126.7	2	339.237	1.31	2	3	6	C[NH+](C)CC[NH2+]CCn1cnc2ccc(Br)cc2c1=O
214187812	ZINC000053521622	ref	7.57	-15.42	0	344.436	3.343	2	4	5	CCOc1ccccc1CNC(=S)Nc1ccc2c(c1)OCCO2
214187818	ZINC000053522865	ref	4.57	-12.53	0	338.452	2.165	2	5	6	Cc1cc(C)n(C[C@@H](C)CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)n1
214187827	ZINC000053533121	ref	7.5	-14.73	0	348.204	2.005	1	6	4	Cn1ncc2c(=O)n(CCNc3ccccc3Br)cnc21
214187829	ZINC000053525091	ref	9.31	-23.5	0	347.382	3.067	2	6	5	CCc1nc2ccccc2n1CC(=O)Nc1n[nH]c(-c2ccccn2)n1
349535400	ZINC000621497877	ref	6.5	-9.51	0	272.339	3.054	2	1	4	O=C(NCC[C@@H]1CC1(F)F)NC1CCC2(CC1)CC2
214187836	ZINC000053525091	mid	9.3	-22.02	0	347.382	3.067	2	6	5	CCc1nc2ccccc2n1CC(=O)Nc1nc(-c2ccccn2)n[nH]1
214187839	ZINC000053525091	low	9.79	-37.79	1	347.382	3.067	2	5	5	CCc1[nH+]c2ccccc2n1CC(=O)Nc1n[nH]c(-c2ccccn2)n1
214187841	ZINC000053525091	high	9.23	-60.13	-1	347.382	3.067	1	6	5	CCc1nc2ccccc2n1CC(=O)Nc1nnc(-c2ccccn2)[n-]1
342080719	ZINC000625324806	mid	5.76	-4.36	0	294.374	1.553	0	5	6	CCO[C@H](CN1CCN(c2ncc(F)cn2)CC1)C1CC1
214187845	ZINC000053525091	high	9.14	-61.23	-1	347.382	3.067	1	6	5	CCc1nc2ccccc2n1CC(=O)Nc1nc(-c2ccccn2)n[n-]1
342080720	ZINC000625324772	ref	1.42	-11.96	0	279.402	1.149	1	4	9	COCCCCS(=O)(=O)NCC[C@H]1CCCOC1
342080721	ZINC000625324677	ref	3.96	-41.12	1	251.359	1.473	1	5	5	Cc1cnc([C@@H](C)[NH2+]CCc2cn(C)nn2)s1
214190471	ZINC000278495399	ref	2.93	-17.54	0	315.373	1.227	3	4	5	Cc1ccc(CNC(=O)N[C@H](CO)c2ccccc2)c(=O)n1C
342080722	ZINC000625324677	mid	2.76	-11.58	0	251.359	1.473	1	6	5	Cc1cnc([C@@H](C)NCCc2cn(C)nn2)s1
342080723	ZINC000625325185	ref	-0.27	-10.43	0	281.743	1.602	3	5	5	Cn1cc([C@H](CO)NCc2cc(O)ccc2Cl)cn1
342080724	ZINC000625325185	low	1.04	-40.96	1	281.743	1.602	3	4	5	Cn1cc([C@H](CO)[NH2+]Cc2cc(O)ccc2Cl)cn1
342080725	ZINC000625325185	high	0.44	-47.43	-1	281.743	1.602	2	5	5	Cn1cc([C@H](CO)NCc2cc([O-])ccc2Cl)cn1
342080726	ZINC000625324991	ref	3.17	-42.83	1	264.369	1.47	3	2	7	C[C@H]([NH2+]CC(=O)N[C@H](C)c1ccccc1)[C@@H](C)CO
342080727	ZINC000625324991	high	2.21	-9.8	0	264.369	1.47	3	3	7	C[C@H](NCC(=O)N[C@H](C)c1ccccc1)[C@@H](C)CO
398245784	ZINC000649444020	ref	3.95	-9.98	0	247.298	1.816	0	5	5	COCCOc1cccc(-c2cnn(C)c2C)n1
214187809	ZINC000278490642	ref	2.75	-15.25	0	313.361	1.214	2	5	3	O=C(NCc1cccnn1)N1CCN(c2cccc(O)c2)CC1
282123190	ZINC000449154917	ref	5.55	-36.25	1	284.444	2.334	2	2	8	C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1(CCOC)CCC1
342080728	ZINC000625324990	ref	3.17	-42.77	1	264.369	1.47	3	2	7	C[C@H](CO)[C@@H](C)[NH2+]CC(=O)N[C@H](C)c1ccccc1
342080729	ZINC000625324990	high	1.99	-9.62	0	264.369	1.47	3	3	7	C[C@H](CO)[C@@H](C)NCC(=O)N[C@H](C)c1ccccc1
342080730	ZINC000625324585	ref	1.71	-13.1	0	253.339	1.082	1	3	7	O=S(=O)(CCCF)NCC[C@@H]1CCCOC1
342080731	ZINC000625324526	ref	4.66	-12.38	0	263.341	1.049	1	4	2	Cc1cn2c(n1)C[C@H](C(=O)N[C@H]1CCCOC1)CC2
342080732	ZINC000625324526	low	5.09	-36.52	1	263.341	1.049	1	3	2	Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H]1CCCOC1)CC2
214187814	ZINC000278489964	ref	9.75	-53.78	1	306.479	2.351	1	4	5	CCc1cc(N2CCC([NH2+]C[C@H]3CCSC3)CC2)ncn1
342080733	ZINC000625325087	ref	0.91	-37.66	1	270.398	1.768	3	4	6	Cc1cnc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)s1
214187815	ZINC000278490353	ref	6.04	-18.09	0	305.3	2.171	1	3	4	CCOCC(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
342080734	ZINC000625325087	mid	-0.36	-7.26	0	270.398	1.768	3	5	6	Cc1cnc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)s1
282123197	ZINC000449155284	ref	6.27	-12.36	0	295.386	2.341	2	3	6	O=C(Cc1ccc2c(c1)NCC2)NCCCc1ccccn1
365619377	ZINC000336540375	ref	5.51	-17.87	0	286.441	2.119	1	2	2	C[C@@H]1CC[S@](=O)CCN1C(=O)NCC1(C)CCCC1
365619387	ZINC000336540845	ref	5.14	-8.01	0	275.339	2.287	1	2	3	CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(O)(C(F)F)CC1
342080735	ZINC000625324550	ref	3.0	-9.74	0	263.403	1.769	1	3	5	CC(C)(C)CS(=O)(=O)NCC[C@@H]1CCCOC1
342080736	ZINC000625324506	ref	2.97	-10.21	0	263.403	1.769	1	3	7	CC[C@@H](C)CS(=O)(=O)NCC[C@@H]1CCCOC1
365619394	ZINC000336540684	ref	5.79	-48.66	1	287.367	2.039	3	2	2	Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)cc2n[nH]cc12
342080737	ZINC000625324582	ref	1.4	-5.16	0	271.158	1.799	1	3	3	CN(Cc1ccncc1Br)C1CC(O)C1
214187819	ZINC000278490353	mid	5.95	-14.22	0	305.3	2.171	1	3	4	CCOCC(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
342080738	ZINC000625324582	low	3.77	-38.14	1	271.158	1.799	2	2	3	C[N@H+](Cc1ccncc1Br)C1CC(O)C1
342080739	ZINC000625324582	low	3.8	-37.91	1	271.158	1.799	2	2	3	C[N@@H+](Cc1ccncc1Br)C1CC(O)C1
398245786	ZINC000349627653	high	6.38	-53.97	0	237.318	3.2	1	1	4	CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([O-])cc(F)c1
398245789	ZINC000349584062	ref	0.01	-14.62	0	248.286	0.119	3	4	6	NC(=O)c1ccc(NCC(=O)NCC2CC2)nc1
398245794	ZINC000349627655	ref	5.99	-44.73	1	237.318	3.2	2	1	4	CC[C@H]1CCC[C@H]1[NH2+]Cc1cc(O)cc(F)c1
398245797	ZINC000349627655	high	6.76	-54.12	0	237.318	3.2	1	1	4	CC[C@H]1CCC[C@H]1[NH2+]Cc1cc([O-])cc(F)c1
398245802	ZINC000349566238	ref	2.32	-48.23	1	241.306	2.172	3	2	7	CC[C@H](O)CCC[NH2+]Cc1cc(O)cc(F)c1
214187821	ZINC000337628885	ref	2.68	-40.0	1	273.377	0.119	3	3	9	C[C@H](CNC(=O)N(C)CCOCCO)[N@H+](C)C1CC1
214187832	ZINC000337628885	mid	2.63	-41.35	1	273.377	0.119	3	3	9	C[C@H](CNC(=O)N(C)CCOCCO)[N@@H+](C)C1CC1
342596974	ZINC000590785005	mid	3.21	-9.77	0	274.364	1.46	2	3	3	C[C@H](C(=O)NC1CC1)N1CCc2ccc(O)cc2CC1
214187833	ZINC000337628885	high	0.56	-8.85	0	273.377	0.119	2	4	9	C[C@H](CNC(=O)N(C)CCOCCO)N(C)C1CC1
214187837	ZINC000337631364	ref	8.32	-9.59	0	283.375	3.461	2	2	5	O=C(N[C@@H](CC1CCCC1)c1ccccc1)c1cn[nH]c1
342596975	ZINC000590783693	ref	4.21	-10.96	0	276.38	1.493	2	2	8	O=C1CCCN1CCC[N@@H+](CCO)Cc1ccccc1
214187840	ZINC000337629726	ref	1.34	-19.04	0	250.245	0.528	2	3	5	NC(=O)CC(=O)N[C@H]1CCCC[C@H]1OC(F)F
214187844	ZINC000337630132	ref	8.72	-38.33	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
214187848	ZINC000337630132	mid	8.38	-39.91	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214187852	ZINC000337631631	ref	7.99	-14.67	0	297.428	2.116	2	5	7	CSCCCCNC(=O)Nc1nc(C)cc(N(C)C)n1
282123195	ZINC000248978862	mid	4.3	-49.86	1	302.484	1.33	1	3	5	CCC1(CC)C[N@H+]([C@H](C)CN2CCOCC2)CC[S@]1=O
342596976	ZINC000590783693	mid	6.36	-40.31	1	276.38	1.493	2	2	8	O=C1CCCN1CCC[N@H+](CCO)Cc1ccccc1
197594938	ZINC000162829822	ref	6.99	-9.18	0	315.417	2.893	3	2	6	C[C@@H](NC(=O)NCC1(C2CC2)CCC1)C(=O)Nc1ccccc1
214187864	ZINC000337630801	ref	1.65	-15.8	0	276.283	0.932	2	3	4	O=C1CC[C@H](C(=O)N[C@@H]2CCCC[C@@H]2OC(F)F)N1
214187867	ZINC000337629833	ref	6.89	-53.29	-1	293.371	0.698	1	4	1	C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1
214187870	ZINC000337629833	low	7.04	-20.43	0	293.371	0.698	2	4	1	C[C@@H]1CCC[C@@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1
342596977	ZINC000590783693	high	4.21	-10.96	0	276.38	1.493	1	3	8	O=C1CCCN1CCCN(CCO)Cc1ccccc1
342596978	ZINC000590797746	ref	6.29	-10.59	0	296.371	1.365	1	6	6	Cc1nc(C(=O)NCCCCC(=O)OC(C)(C)C)n(C)n1
197594940	ZINC000162832550	ref	5.16	-8.99	0	309.431	2.539	1	3	4	Cc1ccc(S(=O)(=O)N[C@H]2CCO[C@@H](C3CC3)C2)cc1C
342596979	ZINC000590783718	ref	4.04	-16.72	0	272.348	1.38	2	3	6	Cn1ccc(C[N@H+](CCO)Cc2ccccc2)cc1=O
342596980	ZINC000590783718	mid	6.2	-51.3	1	272.348	1.38	2	3	6	Cn1ccc(C[N@@H+](CCO)Cc2ccccc2)cc1=O
365619378	ZINC000641588598	ref	4.51	-13.01	0	273.332	1.152	1	3	2	O=C([C@@H]1OCC[C@@H]1c1ccccc1)N1C[C@H]2C[C@@]2(O)C1
342596981	ZINC000590783718	high	4.04	-16.72	0	272.348	1.38	1	4	6	Cn1ccc(CN(CCO)Cc2ccccc2)cc1=O
365619382	ZINC000641590605	ref	4.2	-13.27	0	287.359	1.787	1	3	2	O=C(c1ccc(C2CCOCC2)cc1)N1C[C@H]2C[C@@]2(O)C1
365619386	ZINC000641588672	ref	3.0	-10.11	0	291.225	1.427	1	4	3	O=C(c1ccc(OCC(F)(F)F)o1)N1C[C@@H]2C[C@]2(O)C1
342596982	ZINC000616980399	ref	5.37	-15.71	0	280.368	1.899	1	4	6	CC[C@H](C)N(CC)C(=O)CCn1c(C)cc(O)cc1=O
342596983	ZINC000590798049	ref	8.52	-60.71	-1	274.328	1.192	0	4	1	N#CC1CN(C(=O)N=c2ncn(C3CCCCC3)[n-]2)C1
197594952	ZINC000162833947	ref	7.54	-13.55	0	307.394	2.7	1	5	5	CCOC(=O)C(C)(C)n1cc(NC(=O)C2CCCCC2)cn1
365619393	ZINC000641588631	ref	4.31	-15.15	0	298.346	1.37	2	5	3	Cn1ccc(Nc2ccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)cc2)n1
365619398	ZINC000641588663	ref	2.73	-8.81	0	253.342	1.173	1	3	1	CC1(C)C[C@H](C(=O)N2C[C@H]3C[C@@]3(O)C2)C(C)(C)O1
365619402	ZINC000641588571	ref	5.28	-11.23	0	297.358	1.333	1	4	4	O=C(c1ccnn1CCc1ccccc1)N1C[C@H]2C[C@@]2(O)C1
365619407	ZINC000641590516	ref	5.56	-12.42	0	281.302	1.881	1	2	4	O=C(CCCc1c(F)cccc1F)N1C[C@@H]2C[C@]2(O)C1
365619413	ZINC000641588479	ref	5.57	-11.97	0	293.313	1.98	1	2	2	O=C(N1C[C@H]2C[C@@]2(O)C1)C1(c2c(F)cccc2F)CCC1
365619417	ZINC000641588676	ref	2.86	-14.38	0	287.344	1.412	1	5	2	O=C(c1ccc(-c2csnn2)cc1)N1C[C@H]2C[C@@]2(O)C1
365619422	ZINC000641588693	ref	4.17	-9.12	0	288.278	1.687	1	4	2	O=C(c1cc(-c2ccc(F)cc2)no1)N1C[C@@H]2C[C@]2(O)C1
365619427	ZINC000641588614	ref	4.44	-15.35	0	297.31	1.717	1	4	3	O=C(c1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1)c1ccco1
365619431	ZINC000641588802	ref	4.61	-15.12	0	283.331	1.388	1	4	2	Cc1nn(-c2ccccc2)cc1C(=O)N1C[C@@H]2C[C@]2(O)C1
342596984	ZINC000590798049	low	8.69	-28.0	0	274.328	1.192	1	4	1	N#CC1CN(C(=O)N=c2ncn(C3CCCCC3)[nH]2)C1
259308575	ZINC000306095696	ref	8.85	-4.98	0	243.375	4.003	1	2	2	C[C@@H]1CSC[C@H]1Nc1cccc2ccccc12
214187822	ZINC000278490225	ref	8.55	-39.83	1	312.866	2.963	2	2	5	CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1
214187824	ZINC000278490225	mid	8.53	-39.56	1	312.866	2.963	2	2	5	CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1
214187825	ZINC000278489478	ref	0.95	-14.41	0	314.354	2.004	2	5	5	CS[C@H](CO)[C@H](C)NC(=O)c1ncsc1C(F)(F)F
214187826	ZINC000278489402	ref	1.7	-26.21	0	322.477	1.149	0	5	2	Cc1nc(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@H](C)C2)s1
214187828	ZINC000278490900	ref	3.9	-27.02	0	319.423	1.498	0	3	3	C[C@H]1CCN(S(=O)(=O)Cc2ccccc2F)CC[S@@]1=O
214187830	ZINC000278489555	ref	6.16	-11.29	0	308.426	1.629	1	5	6	Cc1cc(N2CCC[C@@H](NC(=O)CCOC(C)C)C2)n(C)n1
398245790	ZINC000649444009	ref	3.94	-45.66	1	203.285	1.864	2	1	2	Cc1c(CO)cccc1C1=CC[NH2+]CC1
178304236	ZINC000013998171	ref	5.91	-45.75	1	229.327	2.647	2	1	1	Cc1cc2nc([C@H]3CCC[NH2+]C3)[nH]c2cc1C
349535402	ZINC000621496226	ref	6.54	-9.58	0	271.364	3.08	2	2	4	Cc1nc(C)c(C(=O)NCc2ccc(C(C)C)cc2)[nH]1
178304239	ZINC000013998171	low	6.36	-97.9	2	229.327	2.647	2	0	1	Cc1cc2[nH]c([C@H]3CCC[NH2+]C3)[nH+]c2cc1C
214187835	ZINC000278489655	ref	3.06	-10.15	0	303.753	3.099	1	6	4	Cn1c(CNc2nnc(C3CC3)o2)nc2cccc(Cl)c21
299072294	ZINC000354601813	mid	0.89	-41.29	-1	347.389	0.788	0	7	9	COC(=O)c1ccc(S(=O)(=O)[N-]CCCOC[C@@H]2CCOC2)o1
214187846	ZINC000278489597	ref	7.55	-8.05	0	304.423	2.124	1	7	3	Cc1nn(C)c(C)c1Nc1cc(N2CCSCC2)ncn1
214187850	ZINC000278491091	ref	7.17	-10.53	0	303.406	1.791	0	4	3	CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(c2ccccn2)CC1
214187854	ZINC000278491091	low	7.48	-38.06	1	303.406	1.791	0	3	3	CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1
214187857	ZINC000278489958	ref	5.2	-14.92	0	324.808	2.144	2	3	5	CC1(C)CC[C@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2)O1
214187861	ZINC000278489519	ref	8.5	-5.09	0	313.239	3.486	0	3	4	CC(C)COC1CCN(c2ncccc2Br)CC1
178304242	ZINC000020200198	ref	4.98	-15.27	0	243.314	1.91	1	5	4	Cc1cc2ncc([C@@H](C)NCCC#N)c(C)n2n1
342080740	ZINC000625324725	ref	1.96	-11.18	0	289.319	1.675	1	3	6	O=S(=O)(CCC(F)(F)F)NCC[C@H]1CCCOC1
214187869	ZINC000278490126	ref	6.84	-49.96	1	313.401	2.146	3	2	4	O=C(NC1CC1)c1cccc(NC(=O)C23CCC[NH+]2CCC3)c1
349535405	ZINC000621495944	ref	7.25	-9.92	0	277.412	3.361	2	2	2	Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@H]2C(C)(C)C)[nH]1
192038014	ZINC000418429916	ref	-2.2	-47.86	1	217.313	0.184	4	2	6	CCC([NH3+])(CC)CNC(=O)N[C@@H](C)CO
295666407	ZINC000412987480	ref	7.87	-10.63	0	304.419	2.761	0	6	5	Cc1ccc(CSc2nnnn2C[C@H]2CCCO2)c(C)c1
343994127	ZINC000139391279	ref	4.74	-5.24	0	172.231	2.301	0	2	1	CN(C)c1cncc2ccccc12
365619401	ZINC000336540684	high	3.41	-14.44	0	287.367	2.039	2	3	2	Cc1cc(NC(=O)N2CC[C@@H](N(C)C)C2)cc2n[nH]cc12
282123198	ZINC000248977981	ref	4.07	-45.56	1	312.439	1.522	2	6	7	CCCCc1nnc(NC(=O)CN2CC[C@H](C)[C@H]2CO)s1
282123201	ZINC000248977981	low	4.43	-44.88	1	312.439	1.522	3	5	7	CCCCc1nnc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)s1
282123203	ZINC000248977981	low	4.07	-45.56	1	312.439	1.522	3	5	7	CCCCc1nnc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)s1
197594941	ZINC000290099394	ref	6.2	-9.08	0	289.379	2.728	2	3	2	C[C@]1(O)CCCN(C(=O)Nc2cc(C3CC3)ccn2)CC1
342080741	ZINC000625324910	ref	3.25	-20.06	0	289.335	1.117	1	4	3	O=C(N[C@H]1CCCOC1)c1cncc(N2CCCC2=O)c1
346818845	ZINC000067766655	low	7.06	-39.21	1	298.814	2.697	2	2	8	CCCCNC(=O)C[N@H+](C)Cc1cc(Cl)ccc1OC
178305461	ZINC000002565949	ref	8.78	-10.81	0	242.238	2.338	0	5	1	Cc1cc2ncccc2c2nc([N+](=O)[O-])n(C)c12
185089358	ZINC000096076120	mid	11.11	-41.9	1	298.365	2.471	1	3	3	Fc1cccc(C[N@H+]2CC[C@@]3(CCN3c3ncccn3)C2)c1
185089360	ZINC000096076120	high	8.76	-8.2	0	298.365	2.471	0	4	3	Fc1cccc(CN2CC[C@@]3(CCN3c3ncccn3)C2)c1
365619409	ZINC000336540871	ref	6.56	-47.62	1	290.432	2.133	2	2	3	O=C(NCC1CC[NH2+]CC1)[C@H]1SCCc2ccccc21
185089362	ZINC000096075250	ref	2.06	-36.43	1	291.399	0.586	3	3	4	CNC(=O)C[N@@H+]1CCCC12CCN(Cc1cc[nH]n1)CC2
185089363	ZINC000096075250	mid	2.06	-37.4	1	291.399	0.586	3	3	4	CNC(=O)C[N@H+]1CCCC12CCN(Cc1cc[nH]n1)CC2
185089365	ZINC000096075250	low	4.46	-103.34	2	291.399	0.586	4	2	4	CNC(=O)C[N@@H+]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2
185089366	ZINC000096075250	low	4.47	-105.15	2	291.399	0.586	4	2	4	CNC(=O)C[N@H+]1CCCC12CC[NH+](Cc1cc[nH]n1)CC2
197594945	ZINC000290098747	ref	4.67	-43.82	1	284.306	2.3	2	2	4	CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(F)c(OC)cc1F
365619416	ZINC000336540900	ref	6.04	-15.87	0	279.727	2.296	0	4	2	Cn1ccnc1[C@@H]1CCN(C(=O)c2ccoc2Cl)C1
365619420	ZINC000336540900	low	6.6	-40.37	1	279.727	2.296	0	3	2	Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2ccoc2Cl)C1
365638657	ZINC000336554514	ref	4.61	-8.86	0	286.441	2.074	2	3	3	C[C@@H](O)C1CCN(C(=O)NC[C@@H]2CCCCS2)CC1
342080742	ZINC000625324872	ref	2.73	-10.52	0	296.333	1.634	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CCC[C@@]1(C)CO
432002752	ZINC000129221003	ref	9.42	-13.87	0	301.296	3.128	0	3	2	CN(C(=O)c1ccc2c(c1)ncn2C)c1cc(F)ccc1F
432002753	ZINC000129221080	ref	7.84	-6.16	0	317.433	3.064	1	3	3	CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C)nc1C
365619415	ZINC000576527219	ref	8.3	-40.12	1	246.358	2.032	2	2	3	C1=C(C[NH+]2CCN(c3ncc[nH]3)CC2)CCCC1
365619421	ZINC000576527219	low	8.72	-91.84	2	246.358	2.032	2	1	3	C1=C(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CCCC1
365619423	ZINC000576527219	high	6.1	-6.43	0	246.358	2.032	1	3	3	C1=C(CN2CCN(c3ncc[nH]3)CC2)CCCC1
365619429	ZINC000576526933	ref	5.14	-12.32	0	238.262	0.959	0	3	1	Cn1c(C(=O)N2CCC[C@@H](F)C2)cccc1=O
365619434	ZINC000576529388	ref	-4.08	-10.91	0	243.307	-1.449	3	4	6	CC1CN([C@@H](C)C(=O)NCC(=O)NCCO)C1
365619437	ZINC000576529388	mid	-1.1	-36.6	1	243.307	-1.449	4	3	6	CC1C[NH+]([C@@H](C)C(=O)NCC(=O)NCCO)C1
398245792	ZINC000651444366	ref	4.52	-7.62	0	292.379	3.182	0	5	3	CC1(C)C[C@@H](c2noc(/C=C\C3CCOCC3)n2)CCO1
432002755	ZINC000129221080	low	8.23	-29.51	1	317.433	3.064	1	2	3	CC[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C
432002757	ZINC000129186486	ref	9.02	-51.97	1	316.371	3.215	1	3	3	FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2nnc3n2CCCCC3)C1
365619451	ZINC000576528881	ref	6.13	-42.27	1	246.314	1.575	2	2	5	C[C@H](Cc1c[nH]cn1)C(=O)N(C)Cc1ccc[nH]1
365619455	ZINC000576528881	mid	5.63	-13.44	0	246.314	1.575	2	2	5	C[C@H](Cc1cnc[nH]1)C(=O)N(C)Cc1ccc[nH]1
178304243	ZINC000237248328	high	1.9	-17.58	0	362.474	1.676	3	5	9	COCCNCC(=O)Nc1ccc(NC(=O)CN2CCCCCC2)cc1
178304246	ZINC000237259063	ref	3.49	-54.06	1	359.879	1.918	2	3	6	C[NH2+]C[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
349535404	ZINC000621242393	ref	2.82	-4.94	0	293.72	2.415	0	3	3	FC(F)(F)CN1CCN(Cc2cncc(Cl)c2)CC1
365619463	ZINC000576528881	low	6.14	-42.45	1	246.314	1.575	2	1	5	C[C@H](Cc1c[nH+]c[nH]1)C(=O)N(C)Cc1ccc[nH]1
365619468	ZINC000576528881	low	6.13	-42.27	1	246.314	1.575	2	1	5	C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)Cc1ccc[nH]1
365619472	ZINC000576528878	ref	3.95	-7.77	0	238.375	2.021	1	2	3	CC1CN([C@H](C)C(=O)N[C@@H]2CCC(C)(C)C2)C1
365619476	ZINC000576528878	mid	6.99	-34.25	1	238.375	2.021	2	1	3	CC1C[NH+]([C@H](C)C(=O)N[C@@H]2CCC(C)(C)C2)C1
349535406	ZINC000621242355	ref	7.43	-54.08	-1	272.304	2.395	0	5	2	Cc1cc(C)cc(-c2nc3n(c2C(=O)[O-])CCOC3)c1
365619480	ZINC000576526661	ref	5.54	-41.34	1	240.391	2.317	2	1	4	C[C@@H]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)CC1
365619484	ZINC000576529127	ref	1.23	-9.65	0	208.221	0.999	0	6	3	Cc1cc(COc2nc(C)no2)n(C)n1
199273118	ZINC000181259643	ref	4.88	-12.33	0	301.386	2.778	2	3	2	Cc1ccc(C(=O)N[C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1O
365619424	ZINC000336540818	ref	9.06	-40.46	1	289.423	2.365	2	1	2	O=C(N[C@@H]1CCC12CCCC2)N1CC[C@H]([NH+]2CC=CC2)C1
365619428	ZINC000336540818	high	6.48	-8.78	0	289.423	2.365	1	2	2	O=C(N[C@@H]1CCC12CCCC2)N1CC[C@H](N2CC=CC2)C1
365619433	ZINC000336540297	ref	7.62	-10.67	0	273.323	2.495	0	2	3	C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCC(C(F)F)CC1
365619441	ZINC000336540083	ref	7.81	-10.94	0	273.38	2.496	0	3	2	Cc1ncc2c(n1)CCN(C(=O)C[C@H]1CC[C@H](C)C1)C2
342080743	ZINC000625324872	mid	4.73	-34.66	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@]1(C)CO
365619447	ZINC000336540296	ref	7.48	-11.01	0	273.323	2.495	0	2	3	C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCC(C(F)F)CC1
365619452	ZINC000336540395	ref	5.0	-7.17	0	254.374	2.291	2	2	3	C[C@H]1COCC[C@H]1NC(=O)NCC1(C)CCCC1
342080744	ZINC000625324872	mid	4.69	-35.43	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@]1(C)CO
342080745	ZINC000625325104	ref	3.07	-11.63	0	261.387	1.378	1	3	7	COCCCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080746	ZINC000625324592	ref	3.45	-12.46	0	294.351	1.326	1	5	3	Cc1cc(C2(C(=O)N[C@@H]3CCCOC3)CCOCC2)on1
365619458	ZINC000336540821	ref	9.43	-14.15	0	295.386	2.151	0	3	2	Cn1ccnc1[C@H]1CCN(C(=O)C2Cc3ccccc3C2)C1
342080747	ZINC000625324940	ref	3.72	-9.0	0	266.366	1.796	1	3	4	O=S(=O)(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccncc1
342088424	ZINC000121405635	low	7.94	-77.24	2	278.4	1.342	2	2	5	CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCc1c[nH+]cn1C
398245795	ZINC000651444000	ref	6.21	-32.17	1	267.8	3.466	2	1	4	CC[C@H]([NH2+][C@@H]1CCCc2ccc(Cl)cc21)[C@H](C)O
365619464	ZINC000336540821	low	9.99	-38.13	1	295.386	2.151	0	2	2	Cn1cc[nH+]c1[C@H]1CCN(C(=O)C2Cc3ccccc3C2)C1
365619469	ZINC000336540762	ref	4.64	-13.13	0	271.407	2.04	0	3	1	Cc1ccc(C(=O)N2CC[C@H](C)[S@](=O)CC2)s1
365619475	ZINC000336540165	ref	4.07	-13.89	0	299.392	2.191	0	4	3	CC(C)[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)o2)C1
365619486	ZINC000336540021	ref	4.46	-10.87	0	298.427	2.138	2	3	3	C[C@H]1CCC[C@@H](NC(=O)N(C)CC2(O)CCOCC2)CC1
365619489	ZINC000336540223	ref	4.56	-8.44	0	279.287	2.259	0	4	1	Cc1nnc(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]2C)s1
342088425	ZINC000121405635	high	5.41	-13.92	0	278.4	1.342	1	4	5	CC(C)N1CCCC[C@@H]1C(=O)NCCc1cncn1C
365619494	ZINC000336540501	ref	5.49	-7.89	0	251.37	2.042	1	2	2	CC1(C)C(C(=O)N2CC[C@@](O)(C3CC3)C2)C1(C)C
214187847	ZINC000293611962	ref	5.63	-20.55	0	350.419	0.886	1	6	5	CO[C@@H]1CCCC[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1
214187851	ZINC000293608224	ref	6.27	-14.43	0	351.309	0.995	1	5	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc(F)c(C#N)c2)C1
214187855	ZINC000293607010	ref	5.14	-44.15	1	360.458	0.17	3	3	8	C[C@H](c1ccccc1)[C@H](NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)C(N)=O
214187859	ZINC000293607010	high	2.68	-15.49	0	360.458	0.17	2	4	8	C[C@H](c1ccccc1)[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(N)=O
214187862	ZINC000293600953	ref	3.0	-15.21	0	368.455	0.846	0	5	5	O=C(CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CCCOC1
214187866	ZINC000293602901	ref	2.98	-21.02	0	356.444	0.739	0	5	6	COc1cccc(OC)c1CC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
214187871	ZINC000293602493	ref	3.02	-24.69	0	356.492	0.898	2	5	9	CCn1nc(C)c(CC(=O)NCCS(=O)(=O)NCC2CCC2)c1C
214187879	ZINC000293607783	ref	4.37	-49.87	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)C1
214187882	ZINC000293607783	mid	4.36	-52.71	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@H]2CO)C1
398245796	ZINC000649443832	ref	4.94	-55.72	1	242.322	1.658	2	1	1	Cc1cc2c(c(C3=CC[NH2+]CC3)c1)CCNC2=O
214187885	ZINC000293607783	mid	1.97	-15.86	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H]2CN(Cc3ccccc3)CC[C@H]2CO)C1
214187889	ZINC000293613775	ref	0.53	-14.87	0	357.432	0.643	2	5	8	CCCNS(=O)(=O)N[C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O
214187893	ZINC000293606660	ref	2.47	-8.91	0	352.435	0.725	2	6	6	COCCn1ccc(NC(=O)C(=O)N2CCC[C@](CO)(C(C)C)C2)n1
214187897	ZINC000293611486	ref	0.31	-19.17	0	366.374	0.354	3	5	4	N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@]23NC(=O)NC3=O)cc1F
214187901	ZINC000293609612	ref	5.06	-44.43	1	356.448	0.599	3	6	6	COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)n1
178304245	ZINC000020200198	low	6.15	-67.93	1	243.314	1.91	1	4	4	Cc1cc2ncc([C@@H](C)[NH2+]CCC#N)c(C)n2n1
214187904	ZINC000293609612	high	2.47	-9.43	0	356.448	0.599	2	7	6	COC(=O)C(C)(C)c1csc(NC(=O)C(=O)N[C@@H](C)CN(C)C)n1
214187908	ZINC000293606662	ref	2.77	-9.6	0	352.435	0.725	2	6	6	COCCn1ccc(NC(=O)C(=O)N2CCC[C@@](CO)(C(C)C)C2)n1
398245800	ZINC000649443865	ref	6.46	-6.72	0	246.257	3.476	0	3	1	Cc1c(-c2csc(C(F)(F)F)c2)cnn1C
259308579	ZINC000517230314	ref	2.41	-44.86	1	211.302	0.757	1	2	6	C[C@H](F)CC[NH2+]C[C@H](C)S(C)(=O)=O
365619432	ZINC000121813602	ref	5.76	-10.35	0	290.411	2.453	2	3	5	CCc1nn(C)c(CC)c1CNC(=O)N[C@@H]1C=CCCC1
342596985	ZINC000590784330	ref	6.57	-12.43	0	285.347	1.806	1	3	3	CC(C)C1CN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1
398245798	ZINC000650859798	ref	6.59	-40.72	1	265.401	1.96	3	1	3	C[N@@H+]1CCC[C@H](CNC(=O)NC2CC3(CCC3)C2)C1
185089368	ZINC000096075250	high	-0.18	-11.31	0	291.399	0.586	2	4	4	CNC(=O)CN1CCCC12CCN(Cc1cc[nH]n1)CC2
185089371	ZINC000096075967	ref	5.62	-37.3	1	278.356	0.357	1	4	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1nccn1C)C2
365619438	ZINC000121815397	ref	8.75	-11.85	0	291.395	2.497	0	4	7	CN(CCOCC1CC1)C(=O)c1ccn(C2CCCC2)n1
342596986	ZINC000590784236	ref	5.18	-11.55	0	288.391	1.805	2	2	4	O=C1CCCN1CCC[N@H+]1CCc2ccc(O)cc2CC1
365619444	ZINC000121813974	ref	3.99	-54.49	1	282.428	2.215	2	2	4	CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1([NH3+])CCCCC1
365619448	ZINC000121813974	high	4.05	-9.06	0	282.428	2.215	2	3	4	CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)C1(N)CCCCC1
365619454	ZINC000121821150	ref	8.19	-41.67	1	260.381	2.414	2	1	8	C=C[C@@H](CC(=O)NCCC[NH+](C)C)c1ccccc1
398245801	ZINC000650859798	mid	6.15	-41.27	1	265.401	1.96	3	1	3	C[N@H+]1CCC[C@H](CNC(=O)NC2CC3(CCC3)C2)C1
214187849	ZINC000053525091	high	9.13	-61.15	-1	347.382	3.067	1	6	5	CCc1nc2ccccc2n1CC(=O)Nc1n[n-]c(-c2ccccn2)n1
342596987	ZINC000590784236	mid	7.08	-48.52	1	288.391	1.805	2	2	4	O=C1CCCN1CCC[N@@H+]1CCc2ccc(O)cc2CC1
178304252	ZINC000005372203	ref	8.35	-38.03	1	243.314	1.895	3	2	0	Cc1cc2nc3n(c2cc1C)C(C)(C)NC(=[NH2+])N3
178304256	ZINC000005372203	high	8.41	-8.99	0	243.314	1.895	3	3	0	Cc1cc2nc3n(c2cc1C)C(C)(C)NC(=N)N3
214187853	ZINC000053521021	ref	8.82	-13.96	0	330.432	2.74	1	4	7	COc1ccccc1CN(C)C(=O)NCCCn1nc(C)cc1C
178304258	ZINC000072397722	ref	6.43	-8.94	0	229.283	2.193	0	4	0	Cc1cc2ncc3c(n2n1)CC(C)(C)CC3=O
178304263	ZINC000103596967	ref	6.26	-44.79	-1	235.312	1.667	0	4	1	Cc1cc2[n-]c(=S)n(C3CC3)c(=O)c2n1C
342596988	ZINC000590784236	high	5.18	-11.55	0	288.391	1.805	1	3	4	O=C1CCCN1CCCN1CCc2ccc(O)cc2CC1
365619461	ZINC000121815660	ref	5.81	-10.66	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2C[C@H](C)CC[C@@H]2C)cnn1C
178304266	ZINC000103596967	mid	6.72	-11.31	0	235.312	1.667	1	4	1	Cc1cc2[nH]c(=S)n(C3CC3)c(=O)c2n1C
365619467	ZINC000121816611	ref	6.9	-43.77	1	270.38	2.179	1	3	4	Cn1cccc1C[NH2+][C@@H]1CCCN(c2ccccn2)C1
178304251	ZINC000237245146	ref	5.06	-53.54	1	363.483	1.499	1	3	3	CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C3C[C@@H]4CC[C@H](C3)[NH2+]4)cc21
178304254	ZINC000237256623	ref	3.43	-57.18	1	359.43	1.41	2	6	8	COc1cccc(OCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
365619436	ZINC000641588677	ref	2.86	-14.02	0	287.344	1.412	1	5	2	O=C(c1ccc(-c2csnn2)cc1)N1C[C@@H]2C[C@]2(O)C1
282123199	ZINC000338133673	ref	2.68	-41.17	1	271.405	1.178	4	2	9	CCC(CC)(CO)CNC(=O)NCC[N@H+](C)C1CC1
282123212	ZINC000338133673	mid	2.69	-41.41	1	271.405	1.178	4	2	9	CCC(CC)(CO)CNC(=O)NCC[N@@H+](C)C1CC1
365619439	ZINC000641588461	ref	5.48	-9.47	0	257.333	1.385	1	2	1	O=C([C@@H]1CCc2ccccc2C1)N1C[C@H]2C[C@@]2(O)C1
365619443	ZINC000641588665	ref	2.75	-8.98	0	253.342	1.173	1	3	1	CC1(C)C[C@H](C(=O)N2C[C@@H]3C[C@]3(O)C2)C(C)(C)O1
398245799	ZINC000651443975	ref	6.1	-5.71	0	264.369	3.475	0	4	4	CC1(C)C[C@H](c2noc(CCC3CCC3)n2)CCO1
178304259	ZINC000237250383	ref	4.02	-51.96	1	360.863	1.874	1	4	4	COC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1Cl
178304264	ZINC000237258360	ref	7.92	-51.59	1	365.861	1.775	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC[NH2+]CC1
398245803	ZINC000651431643	ref	5.76	-8.52	0	270.376	3.08	1	3	3	C[C@@H](CO)C1CCN(c2ccc3ccccc3n2)CC1
342596989	ZINC000590784256	ref	4.47	-13.43	0	299.44	1.865	0	5	6	CCn1cncc1[C@H]1CCCCN1CCCS(C)(=O)=O
398245807	ZINC000651444092	ref	7.17	-12.24	0	252.358	3.001	1	3	8	CCCC[C@H](CCC)NC(=O)Cc1cc(C)no1
398245811	ZINC000651444091	ref	7.17	-12.24	0	252.358	3.001	1	3	8	CCCC[C@@H](CCC)NC(=O)Cc1cc(C)no1
192038016	ZINC000418464496	ref	-0.99	-51.58	1	245.367	0.679	4	2	9	CCC[C@@H](CCO)CNC(=O)NC[C@@H](C)C[NH3+]
342596990	ZINC000590784256	low	4.98	-41.9	1	299.44	1.865	0	4	6	CCn1c[nH+]cc1[C@H]1CCCCN1CCCS(C)(=O)=O
178304270	ZINC000237258360	high	6.25	-19.82	0	365.861	1.775	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCCNCC1
178304272	ZINC000237256451	ref	5.93	-52.5	1	358.442	1.845	3	3	5	C[NH2+]Cc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1
178304276	ZINC000237256451	high	4.48	-13.86	0	358.442	1.845	3	4	5	CNCc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)c1
178304278	ZINC000237262632	ref	5.24	-61.71	1	365.861	1.76	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@H]([NH3+])C2)CC1
365619449	ZINC000641588715	ref	2.94	-9.14	0	277.267	1.974	1	3	1	O=C(c1csc(C(F)(F)F)c1)N1C[C@@H]2C[C@]2(O)C1
342080748	ZINC000625325285	ref	3.36	-10.24	0	263.403	1.911	1	3	7	CCC[C@@H](C)S(=O)(=O)NCC[C@H]1CCCOC1
342080749	ZINC000625325222	ref	2.1	-8.9	0	293.342	1.57	2	4	7	CO[C@H](C[NH2+][C@H](CO)c1cnn(C)c1)c1ccc(F)cc1
342080750	ZINC000625325222	mid	2.1	-8.9	0	293.342	1.57	2	5	7	CO[C@H](CN[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1
342080751	ZINC000625325241	ref	2.5	-11.88	0	267.366	1.472	1	3	8	O=S(=O)(CCCCF)NCC[C@@H]1CCCOC1
168364921	ZINC000368499069	ref	8.59	-55.06	1	328.456	3.155	2	2	6	O=C1CC[C@H]([NH2+]Cc2cccc(OC3CCCC3)c2)[C@@H](C2CC2)N1
168364923	ZINC000368499069	high	7.35	-8.07	0	328.456	3.155	2	3	6	O=C1CC[C@H](NCc2cccc(OC3CCCC3)c2)[C@@H](C2CC2)N1
342080752	ZINC000625325250	ref	1.41	-12.01	0	279.402	1.005	1	4	8	COC[C@H](C)CS(=O)(=O)NCC[C@@H]1CCCOC1
398245804	ZINC000650859798	high	4.2	-6.88	0	265.401	1.96	2	2	3	CN1CCC[C@H](CNC(=O)NC2CC3(CCC3)C2)C1
259308580	ZINC000517230314	high	1.26	-13.53	0	211.302	0.757	1	3	6	C[C@H](F)CCNC[C@H](C)S(C)(=O)=O
342080753	ZINC000625325216	ref	1.3	-12.48	0	279.402	1.147	1	4	7	COC(C)(C)CS(=O)(=O)NCC[C@H]1CCCOC1
342080754	ZINC000625325806	ref	2.91	-11.24	0	261.387	1.689	1	3	8	C=CCCCS(=O)(=O)NCC[C@H]1CCCOC1
342080755	ZINC000625325353	ref	5.3	-11.78	0	287.425	1.767	1	3	7	CO[C@H](CS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)C1CC1
342080756	ZINC000625325701	ref	3.57	-40.01	1	292.379	1.541	3	3	5	COCC[N@@H+]1CCC[C@H](NC(=O)c2c(C)cccc2O)C1
342080757	ZINC000625325701	mid	4.08	-40.27	1	292.379	1.541	3	3	5	COCC[N@H+]1CCC[C@H](NC(=O)c2c(C)cccc2O)C1
342080758	ZINC000625325701	mid	1.28	-9.21	0	292.379	1.541	2	4	5	COCCN1CCC[C@H](NC(=O)c2c(C)cccc2O)C1
342080759	ZINC000625325701	high	2.05	-53.24	-1	292.379	1.541	1	4	5	COCCN1CCC[C@H](NC(=O)c2c(C)cccc2[O-])C1
342080760	ZINC000625325730	ref	4.36	-10.09	0	287.425	1.911	1	3	6	O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080761	ZINC000625325562	ref	2.51	-11.99	0	271.386	1.609	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cnn(C)c1C
342080762	ZINC000625325530	ref	6.52	-11.6	0	284.4	1.727	1	3	8	COCCN(CCOC)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080763	ZINC000625325548	ref	3.84	-10.93	0	275.414	1.624	1	3	7	COC[C@H](C)CS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
192038018	ZINC000418465725	ref	4.39	-50.46	1	239.363	1.555	2	1	6	C[C@@H](C[NH3+])CNC(=O)N(CC1CC1)C1CCC1
342080764	ZINC000625325713	ref	5.95	-44.19	1	286.416	1.275	2	3	8	CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)C(C)C
349535407	ZINC000621497106	ref	8.17	-8.78	0	294.439	3.022	1	2	5	CC(C)C[C@H]1C[C@H](NC(=O)N2CC(CC3CC3)C2)CCO1
342596991	ZINC000590797622	ref	3.56	-10.55	0	253.371	1.861	2	3	5	CSCCNC(=O)NCc1cnc(C)cc1C
365619440	ZINC000274307696	ref	1.59	-10.16	0	286.397	1.442	2	4	8	CCCCN(CCCO)S(=O)(=O)c1ccccc1N
365619446	ZINC000274307537	ref	5.89	-14.08	0	296.252	1.642	2	3	4	O=C(NCc1nc[nH]n1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1
214187863	ZINC000053549005	ref	5.86	-21.81	0	329.312	2.705	2	5	5	CNC(=O)c1ccc(Oc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1
365619450	ZINC000274307537	mid	6.28	-16.41	0	296.252	1.642	2	3	4	O=C(NCc1nnc[nH]1)[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1
365619456	ZINC000274306105	ref	2.44	-14.54	0	250.302	1.101	2	4	3	CN(C[C@@H]1CCC[C@H]1O)C(=O)Nc1cncnc1
365619460	ZINC000274304533	ref	2.54	-9.39	0	285.365	1.593	1	4	4	CC(C)NS(=O)(=O)c1ccc(C2(C)OCCO2)cc1
365619466	ZINC000274306578	ref	5.33	-48.89	1	287.407	1.501	1	2	3	CN(C)[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1
365619471	ZINC000274306578	mid	7.3	-87.46	2	287.407	1.501	2	1	3	C[NH+](C)[C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1
365619477	ZINC000274305104	ref	7.36	-23.32	0	292.295	1.093	1	7	5	COc1cc(C(=O)Nc2nncn2C)cc(OC)c1OC
365619485	ZINC000274305710	ref	5.18	-15.59	0	280.324	1.868	0	5	4	CC(C)OC(=O)C[C@@H]1CCCN(C(=O)c2cocn2)C1
365619490	ZINC000274306176	ref	6.43	-7.21	0	296.33	1.606	1	4	4	O=C(Nc1cncnc1)C(=O)N(Cc1ccccc1)C1CC1
197594958	ZINC000162828507	ref	8.37	-11.44	0	321.442	2.415	0	4	3	Cc1ccc(OCC(=O)N2CCS[C@@H]3COCC[C@H]32)c(C)c1
365619496	ZINC000274304964	ref	6.42	-16.91	0	274.328	1.536	1	5	5	Cc1nccn1CCCN(C)C(=O)Nc1cncnc1
197594960	ZINC000162826908	ref	7.77	-11.08	0	301.39	3.053	0	4	5	COc1ccc(CN(C)C(=O)c2ccnn2C(C)C)cc1C
365619501	ZINC000274304964	mid	6.9	-36.6	1	274.328	1.536	1	4	5	Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cncnc1
365619505	ZINC000353180599	ref	5.17	-19.18	0	283.299	1.078	0	4	7	COCCOC1CN(C(=O)COc2ccccc2F)C1
365619512	ZINC000274307538	ref	5.89	-13.97	0	296.252	1.642	2	3	4	O=C(NCc1nc[nH]n1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1
365619516	ZINC000274307538	mid	6.28	-15.76	0	296.252	1.642	2	3	4	O=C(NCc1nnc[nH]1)[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1
365619520	ZINC000274308195	ref	2.82	-8.64	0	298.408	1.704	1	4	4	CC(C)C[C@@H]1COCCN1S(=O)(=O)c1ccccc1N
365639350	ZINC000354712741	ref	5.96	-41.8	1	262.357	1.469	2	3	4	C[C@H]1CCCC[N@H+]1[C@@H](C)CNC(=O)c1cncnc1
342596992	ZINC000590797622	low	3.99	-38.37	1	253.371	1.861	2	2	5	CSCCNC(=O)NCc1c[nH+]c(C)cc1C
365619453	ZINC000641588603	ref	3.27	-17.51	0	299.33	1.284	2	4	2	O=C(c1ccc2c(c1)[nH]c(=O)n2C1CC1)N1C[C@@H]2C[C@]2(O)C1
365619457	ZINC000641588797	ref	1.02	-9.99	0	282.727	1.341	1	4	3	CCOc1ncc(C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1Cl
365619462	ZINC000641588727	ref	5.91	-11.37	0	271.36	1.775	1	2	1	O=C(C1CCc2ccccc2CC1)N1C[C@H]2C[C@@]2(O)C1
365638660	ZINC000617439809	mid	5.4	-44.93	1	279.344	0.121	2	5	3	CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C)n3ncnc32)C1
365638664	ZINC000617440668	ref	4.2	-26.26	0	284.283	0.152	1	8	2	C[C@H]1C[C@H](NC(=O)c2ccc3nnnn3c2)c2ncnn21
365638668	ZINC000617442176	ref	3.32	-17.2	0	293.371	0.368	1	6	4	C[C@H](CN1CCOCC1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365638671	ZINC000617442176	mid	5.2	-48.99	1	293.371	0.368	2	5	4	C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@@H](C)n2ncnc21
365638674	ZINC000617442043	ref	4.95	-23.42	0	283.295	0.985	2	6	2	C[C@H]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)c2ncnn21
365638678	ZINC000617442068	ref	1.17	-18.27	0	286.295	0.208	2	6	3	C[C@@H]1C[C@H](NC(=O)c2cccc(C(N)=O)n2)c2ncnn21
168364925	ZINC000368499648	ref	7.11	-56.55	1	343.254	3.149	2	2	5	COc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1
342596993	ZINC000590783057	ref	7.65	-14.47	0	283.339	1.438	0	7	2	Cn1cc([C@H]2CCCN2c2ncnc3c2ncn3C)cn1
342596994	ZINC000590784940	ref	5.53	-42.11	1	276.38	1.707	3	2	4	CC[C@H](C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
178304271	ZINC000049474020	ref	3.92	-15.81	0	200.205	0.563	1	6	0	Cc1cc2ncc3c(N)ncnc3n2n1
365638681	ZINC000617442370	ref	4.17	-16.52	0	263.345	0.884	2	4	5	CC[N@H+](CC(=O)N[C@@H]1C[C@H](C)n2ncnc21)C1CC1
214187868	ZINC000053536554	ref	7.65	-8.98	0	339.414	3.883	1	3	6	Fc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1
214187872	ZINC000053536554	low	10.05	-45.3	1	339.414	3.883	2	2	6	Fc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1
342596995	ZINC000590784940	mid	5.53	-42.95	1	276.38	1.707	3	2	4	CC[C@H](C)NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
365638683	ZINC000617442370	mid	6.48	-42.68	1	263.345	0.884	2	4	5	CC[N@@H+](CC(=O)N[C@@H]1C[C@H](C)n2ncnc21)C1CC1
365638688	ZINC000617442370	mid	4.17	-16.52	0	263.345	0.884	1	5	5	CCN(CC(=O)N[C@@H]1C[C@H](C)n2ncnc21)C1CC1
343994128	ZINC000619372280	ref	5.86	-10.32	0	233.315	1.556	1	2	2	CC(C)(C(=O)N1CC[C@@H]2C[C@@H]2C1)c1cnc[nH]1
365638692	ZINC000617440195	ref	5.21	-19.85	0	297.322	0.996	1	7	2	C[C@H]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)c2ncnn21
214187873	ZINC000278490126	high	4.71	-16.93	0	313.401	2.146	2	3	4	O=C(NC1CC1)c1cccc(NC(=O)C23CCCN2CCC3)c1
185089374	ZINC000096075967	mid	5.72	-37.53	1	278.356	0.357	1	4	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1nccn1C)C2
365619459	ZINC000617365704	ref	3.29	-14.17	0	281.356	0.818	2	4	6	COC[C@@H](NC(=O)Cc1[nH]cnc1C)C1CCOCC1
214187876	ZINC000278491087	ref	7.5	-13.35	0	303.406	1.791	0	4	3	CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2ccccn2)CC1
214187880	ZINC000278491087	low	7.8	-40.03	1	303.406	1.791	0	3	3	CC(C)[C@H]1OCC[C@H]1C(=O)N1CCN(c2cccc[nH+]2)CC1
349535408	ZINC000621243496	ref	4.96	-13.48	0	287.367	2.293	3	4	3	C[C@@H]1CCC[C@H](Nc2ncnc3[nH]cc(C(N)=O)c23)[C@@H]1C
214187884	ZINC000278489874	ref	6.01	-6.26	0	312.207	2.912	1	2	2	Cc1cc(Br)cc(C(=O)N[C@@H]2CCOC[C@H]2C)c1
214187887	ZINC000278489214	ref	8.51	-9.99	0	311.389	2.651	1	5	2	Cc1ncc(C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)c(C)n1
343994129	ZINC000619372280	mid	6.56	-12.65	0	233.315	1.556	1	2	2	CC(C)(C(=O)N1CC[C@@H]2C[C@@H]2C1)c1c[nH]cn1
214187891	ZINC000278489875	ref	7.75	-47.37	1	320.502	2.273	1	3	7	c1ccc(C[C@@H](CN2CCOCC2)[NH2+]C[C@H]2CCSC2)cc1
214187894	ZINC000278490374	ref	7.42	-11.71	0	319.381	1.604	1	5	9	C=CCSCCNC(=O)N(C)Cc1ncnn1CC(F)F
214187898	ZINC000278489883	ref	7.76	-47.45	1	320.502	2.273	1	3	7	c1ccc(C[C@@H](CN2CCOCC2)[NH2+]C[C@@H]2CCSC2)cc1
214187902	ZINC000278491089	ref	3.09	-9.98	0	315.402	2.314	2	7	6	Cc1ncc(CNc2cc(-c3cccnc3)nn2CCO)s1
214187906	ZINC000278489746	ref	6.34	-10.01	0	324.218	3.047	1	2	4	C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccccc1Br
214187910	ZINC000278490450	ref	5.73	-8.37	0	314.36	2.49	2	3	4	O=C(N[C@@H](CO)c1ccc(F)cc1)[C@@H]1CCCc2cccnc21
214187915	ZINC000278489494	ref	7.56	-23.97	0	302.378	1.43	1	5	3	C[C@@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c2cnn(C)c21
214187918	ZINC000278489217	ref	6.26	-47.63	1	303.406	2.04	3	2	5	COc1cc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1C
190494111	ZINC000269435464	ref	4.96	-14.32	0	280.343	2.026	2	2	5	CCNC(=O)C(C)(C)CNC(=O)c1cc(C)cc(F)c1
214187921	ZINC000278489217	mid	6.41	-48.95	1	303.406	2.04	3	2	5	COc1cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)ccc1C
214187922	ZINC000278489217	mid	3.71	-9.7	0	303.406	2.04	2	3	5	COc1cc(CN2CC[C@@H](NC(=O)NC3CC3)C2)ccc1C
214187926	ZINC000278489373	ref	6.63	-16.25	0	315.417	3.479	2	4	7	CC[C@@H](C)c1ccc(NC(=O)Cn2ccnc2[C@H](O)CC)cc1
365619465	ZINC000617365704	low	3.76	-37.14	1	281.356	0.818	2	3	6	COC[C@@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCOCC1
365619470	ZINC000617365704	low	3.77	-37.14	1	281.356	0.818	2	3	6	COC[C@@H](NC(=O)Cc1[nH+]c[nH]c1C)C1CCOCC1
282123200	ZINC000449154566	ref	6.63	-35.66	1	296.455	2.428	1	2	5	COCC1CCC([NH2+][C@H]2CCC[C@H](C(=O)N(C)C)C2)CC1
365619474	ZINC000617365704	high	3.26	-13.7	0	281.356	0.818	2	4	6	COC[C@@H](NC(=O)Cc1nc[nH]c1C)C1CCOCC1
365619479	ZINC000617365359	ref	1.67	-7.8	0	259.346	0.561	2	4	6	COC[C@@H](NC(=O)[C@H](O)C(C)C)C1CCOCC1
365619481	ZINC000617366373	ref	2.66	-12.55	0	279.34	0.956	1	5	5	COC[C@@H](NC(=O)c1nccc(C)n1)C1CCOCC1
365619493	ZINC000617366944	ref	-0.31	-9.12	0	272.345	0.056	2	4	7	COC[C@@H](NC(=O)[C@@H](C)CC(N)=O)C1CCOCC1
349535409	ZINC000621243496	low	5.36	-32.91	1	287.367	2.293	3	3	3	C[C@@H]1CCC[C@H](Nc2[nH+]cnc3[nH]cc(C(N)=O)c23)[C@@H]1C
178304274	ZINC000001037169	ref	6.01	-16.95	0	210.24	2.1	0	4	1	Cc1cc2nccc(-c3ccccn3)n2n1
178304281	ZINC000280936717	ref	5.78	-54.85	1	236.294	1.966	1	3	4	Cc1cc2ncc([C@@H](C)[NH2+]CCF)c(C)n2n1
365619499	ZINC000617366609	ref	1.5	-8.93	0	259.346	0.705	2	4	6	COC[C@@H](NC(=O)CC(C)(C)O)C1CCOCC1
365619504	ZINC000617364885	ref	1.79	-9.97	0	275.345	0.206	1	5	8	COC[C@@H](NC(=O)[C@@H](COC)OC)C1CCOCC1
365619509	ZINC000617365318	ref	3.24	-10.78	0	293.367	0.967	1	5	7	COC[C@@H](NC(=O)CCc1ncccn1)C1CCOCC1
365619514	ZINC000617365280	ref	2.35	-8.31	0	269.341	0.437	1	4	5	COC[C@@H](NC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCOCC1
178304284	ZINC000280936717	mid	4.61	-10.29	0	236.294	1.966	1	4	4	Cc1cc2ncc([C@@H](C)NCCF)c(C)n2n1
178304288	ZINC000072416548	ref	5.49	-9.91	0	201.229	1.557	0	4	0	Cc1cc2ncc3c(n2n1)CCCC3=O
349535411	ZINC000621243498	ref	5.28	-13.38	0	287.367	2.293	3	4	3	C[C@@H]1[C@@H](Nc2ncnc3[nH]cc(C(N)=O)c23)CCC[C@H]1C
365619521	ZINC000617366213	ref	-1.26	-11.68	0	296.323	0.664	3	5	5	COC[C@@H](NC(=O)c1cc(O)cc(=O)[nH]1)C1CCOCC1
178304290	ZINC000020281602	ref	4.9	-20.56	0	203.201	0.751	0	5	0	Cc1cc2ncc3c(n2n1)C(=O)OCC3
178305355	ZINC000237271572	ref	5.62	-55.16	1	357.458	1.962	2	5	7	COc1ccc(CC[C@H](C)NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1
192038020	ZINC000418465490	ref	-0.05	-37.15	1	217.313	0.138	3	2	7	CCCC[C@@H](C[NH3+])NC(=O)N(C)CCO
365619530	ZINC000617366558	ref	3.63	-11.11	0	281.356	0.9	2	4	7	COC[C@H](NC(=O)CCc1c[nH]cn1)C1CCOCC1
365619534	ZINC000617366558	mid	3.61	-11.18	0	281.356	0.9	2	4	7	COC[C@H](NC(=O)CCc1cnc[nH]1)C1CCOCC1
342596996	ZINC000590784940	mid	3.77	-10.05	0	276.38	1.707	2	3	4	CC[C@H](C)NC(=O)CN1CCc2ccc(O)cc2CC1
342596997	ZINC000590784133	ref	4.08	-16.9	0	285.413	1.382	0	5	5	Cn1cncc1[C@@H]1CCCCN1CCCS(C)(=O)=O
365619473	ZINC000121813716	ref	4.79	-12.82	0	254.289	2.298	2	2	3	CNC(=O)c1ccc(C(=O)Nc2ccccc2)cc1
197594968	ZINC000162834892	ref	1.0	-18.88	0	316.292	1.743	1	6	5	CNC(=O)Cc1noc(Cc2coc(-c3ccc(F)cc3)n2)n1
365619478	ZINC000121816079	ref	4.73	-43.98	1	276.167	2.07	2	2	5	CC[N@H+](C)CCNC(=O)c1cc(Cl)ncc1Cl
365619482	ZINC000121816079	mid	4.73	-43.96	1	276.167	2.07	2	2	5	CC[N@@H+](C)CCNC(=O)c1cc(Cl)ncc1Cl
365619483	ZINC000121816079	high	2.4	-7.11	0	276.167	2.07	1	3	5	CCN(C)CCNC(=O)c1cc(Cl)ncc1Cl
365619487	ZINC000121820766	ref	6.12	-16.41	0	296.374	2.491	2	3	4	Cc1nn(C)c(C)c1CCNC(=O)c1ccc2cc[nH]c2c1
365619492	ZINC000121816086	ref	5.66	-8.72	0	273.336	2.363	2	2	3	CC[C@H](C)N(C)C(=O)C(=O)Nc1cccc2[nH]ccc12
365619497	ZINC000121813846	ref	4.09	-53.07	1	282.428	2.215	2	2	4	CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C1([NH3+])CCCCC1
214187874	ZINC000337631526	ref	8.49	-8.66	0	290.363	3.188	1	3	4	CCN(C(=O)Nc1ccc(C)cc1C(=O)OC)C1CCC1
168364926	ZINC000122611077	ref	5.46	-4.6	0	228.727	2.56	2	4	5	CCC(CC)CNc1cc(Cl)nc(N)n1
398245805	ZINC000649444094	ref	4.83	-8.3	0	248.351	2.48	1	4	4	Cc1c(-c2ccc(SCCO)cc2)cnn1C
365619498	ZINC000121813846	high	4.18	-7.1	0	282.428	2.215	2	3	4	CC(C)[C@H]1OCCC[C@@H]1CNC(=O)C1(N)CCCCC1
365619503	ZINC000121819402	ref	5.97	-10.57	0	265.357	2.294	1	4	5	CC(C)CCn1ccc(NC(=O)C2CCOCC2)n1
192038022	ZINC000418464037	ref	6.03	-45.41	1	241.379	1.96	2	1	9	CCCCN(C(=O)NCC[NH2+]CCC)C1CC1
342596998	ZINC000590784133	low	4.59	-44.0	1	285.413	1.382	0	4	5	Cn1c[nH+]cc1[C@@H]1CCCCN1CCCS(C)(=O)=O
342596999	ZINC000590783315	ref	6.14	-11.46	0	269.304	1.48	1	3	2	N#CCc1cccc(NC(=O)C(=O)N2CC=CCC2)c1
178304282	ZINC000237249431	ref	4.38	-54.4	1	371.478	1.342	2	3	8	CN(CCCC(=O)NC[C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1
140184774	ZINC000227327522	high	4.69	-36.78	1	280.416	1.559	2	4	5	COc1c(CNCC2(C)CC[NH+](C)CC2)c(C)nn1C
214187877	ZINC000337630478	ref	3.0	-14.33	0	264.391	0.778	2	4	9	CCN(CCOCCO)C(=O)N[C@H](C)CSC
365619508	ZINC000121816605	ref	9.55	-13.56	0	278.4	2.493	1	3	6	CC[C@H]1CCC[C@H]1NC(=O)N(C)CCCn1ccnc1
342597000	ZINC000590783891	ref	3.02	-46.61	1	283.393	1.964	1	4	5	CS(=O)(=O)CCCN1CCC[C@H]1c1ccc(O)cc1
365619488	ZINC000576529218	ref	2.22	-11.33	0	237.303	0.937	3	3	5	CC(C)(CO)[C@@H](NC(=O)c1cnc[nH]1)C1CC1
365619491	ZINC000175889479	ref	4.56	-11.04	0	208.261	0.928	0	3	2	N#C[C@@H]1COCCN1C(=O)CC1CCC1
365619495	ZINC000576526860	ref	8.5	-10.18	0	209.333	2.827	0	1	6	CC#CCCCC(=O)N(CCC)C(C)C
365619502	ZINC000576528008	ref	1.19	-35.86	1	233.271	2.277	0	4	3	Cc1cc(OCc2nnc(C)o2)c(C)c(C)[nH+]1
178304286	ZINC000237263240	ref	9.21	-68.2	-1	355.394	1.675	0	6	4	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1
365619506	ZINC000576528008	high	0.8	-11.49	0	233.271	2.277	0	5	3	Cc1cc(OCc2nnc(C)o2)c(C)c(C)n1
282123204	ZINC000449155542	ref	4.04	-34.87	1	285.428	2.244	2	3	8	COC[C@@H](CCO)[NH2+]C1CCC(OC2CCCC2)CC1
365619510	ZINC000576525722	ref	7.31	-8.06	0	229.339	3.019	0	1	4	CCC(CC)[C@@H](C)C(=O)N1CCC[C@@H](F)C1
365619515	ZINC000576528152	ref	7.6	-101.7	2	238.419	2.935	2	0	6	C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCC[NH2+]C1
365619519	ZINC000576528152	high	6.37	-37.73	1	238.419	2.935	2	1	6	C[C@@H]([NH2+]CCCC1CCCC1)[C@H]1CCCNC1
365619523	ZINC000576529260	ref	3.24	-14.08	0	238.287	0.462	1	3	4	C=C(C)C[C@@H](C)C(=O)N[C@H]1CC(=O)N(C)C1=O
365619528	ZINC000576526731	ref	8.28	-39.56	1	246.398	4.009	1	1	4	CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cncc(C)c2)CC1
349535410	ZINC000621494789	ref	8.06	-9.3	0	286.366	3.253	1	1	4	CC1(C2CC2)CCN(C(=O)NCC[C@@H]2CC2(F)F)CC1
365619532	ZINC000576527032	ref	2.92	-35.11	1	240.347	0.892	3	2	5	CNC(=O)CCC[N@@H+]1CCCC[C@@H]1C1(O)CC1
365619536	ZINC000576527032	mid	3.26	-33.43	1	240.347	0.892	3	2	5	CNC(=O)CCC[N@H+]1CCCC[C@@H]1C1(O)CC1
365638662	ZINC000336554515	ref	7.6	-42.93	1	296.455	2.382	1	2	2	CC(C)(C)C(=O)N1CC[N@H+](C[C@@H]2CCCOC2)C(C)(C)C1
365638663	ZINC000336554515	mid	7.52	-44.45	1	296.455	2.382	1	2	2	CC(C)(C)C(=O)N1CC[N@@H+](C[C@@H]2CCCOC2)C(C)(C)C1
178304291	ZINC000237264849	ref	9.04	-74.6	-1	373.384	1.814	0	6	4	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3F)c3c2CCC3)C1
178304293	ZINC000237248519	ref	2.41	-50.59	1	363.43	1.836	3	3	6	C[NH2+]C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F
365638666	ZINC000336554515	high	5.92	-7.4	0	296.455	2.382	0	3	2	CC(C)(C)C(=O)N1CCN(C[C@@H]2CCCOC2)C(C)(C)C1
365638669	ZINC000336554512	ref	4.61	-9.62	0	286.441	2.074	2	3	3	C[C@@H](O)C1CCN(C(=O)NC[C@H]2CCCCS2)CC1
365638672	ZINC000336555023	ref	7.36	-33.86	1	279.405	2.192	1	3	3	c1ccc([C@H]2CSCC[N@H+]2C[C@H]2COCCO2)cc1
365638675	ZINC000336555023	mid	7.87	-38.02	1	279.405	2.192	1	3	3	c1ccc([C@H]2CSCC[N@@H+]2C[C@H]2COCCO2)cc1
214187875	ZINC000053536554	low	10.3	-39.95	1	339.414	3.883	2	2	6	Fc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@H]2CCCO2)cc1
290622810	ZINC000343940533	ref	8.01	-14.02	0	302.252	3.142	1	3	3	C[C@H]1CC[C@@H]1NC(=O)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]
214187878	ZINC000053525426	ref	5.83	-10.14	0	331.416	2.733	1	4	7	COc1ccc(CN(C)C(=O)NC[C@H](c2ccco2)N(C)C)cc1
214187881	ZINC000053525426	mid	8.15	-42.09	1	331.416	2.733	2	3	7	COc1ccc(CN(C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1
185089376	ZINC000096075967	mid	2.61	-9.19	0	278.356	0.357	0	5	4	COCCN1CC[C@]12CCN(C(=O)c1nccn1C)C2
343994130	ZINC000619372280	low	6.38	-43.04	1	233.315	1.556	1	1	2	CC(C)(C(=O)N1CC[C@@H]2C[C@@H]2C1)c1c[nH+]c[nH]1
343994133	ZINC000625559080	ref	0.8	-19.25	0	234.321	-0.041	1	3	5	C/C=C\CNS(=O)(=O)[C@@H](C)C(=O)N(C)C
342080765	ZINC000625325713	mid	6.49	-44.51	1	286.416	1.275	2	3	8	CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)C(C)C
214187896	ZINC000053522986	ref	7.84	-48.05	1	327.247	2.771	1	3	5	Cc1ccc(C[NH2+]CCn2cc(Br)ccc2=O)s1
214187899	ZINC000053522986	high	6.48	-7.98	0	327.247	2.771	1	4	5	Cc1ccc(CNCCn2cc(Br)ccc2=O)s1
342080766	ZINC000625325713	mid	3.75	-10.69	0	286.416	1.275	1	4	8	CCO[C@@H](C(=O)N[C@@H]1CCCN(CCOC)C1)C(C)C
214187903	ZINC000053531425	ref	7.4	-55.6	1	328.235	2.166	1	4	5	Cc1cc(=O)n(CC[NH2+]Cc2cc(Br)cs2)cn1
214187907	ZINC000053531425	high	6.05	-12.9	0	328.235	2.166	1	5	5	Cc1cc(=O)n(CCNCc2cc(Br)cs2)cn1
342080767	ZINC000625325306	ref	3.66	-9.15	0	290.429	1.369	1	3	8	CCN(CC1CC1)S(=O)(=O)NCC[C@H]1CCCOC1
214187913	ZINC000053529409	ref	10.03	-39.86	1	347.484	3.201	2	3	7	COc1ccccc1CN(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C
342080768	ZINC000625325555	ref	2.29	-11.27	0	291.413	1.147	1	4	8	CO[C@H](CS(=O)(=O)NCC[C@H]1CCCOC1)C1CC1
365619500	ZINC000336540394	ref	5.0	-7.19	0	254.374	2.291	2	2	3	C[C@@H]1COCC[C@@H]1NC(=O)NCC1(C)CCCC1
214187923	ZINC000053529409	mid	7.43	-9.66	0	347.484	3.201	1	4	7	COc1ccccc1CN(C)C(=O)NC[C@@H](c1cccs1)N(C)C
342080769	ZINC000625325564	ref	1.82	-9.37	0	284.381	1.971	1	4	7	C=CC(C)(C)CCNS(=O)(=O)c1cncc(OC)c1
342080770	ZINC000625325711	ref	5.96	-44.28	1	286.416	1.275	2	3	8	CCO[C@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)C(C)C
365639532	ZINC000576612030	ref	2.92	-51.92	1	225.336	1.165	2	1	2	CC1(C)CC(CNC(=O)N2CC[C@H]([NH3+])C2)C1
199273120	ZINC000294963234	low	5.17	-42.33	1	274.311	1.845	1	3	9	COCCCOCC[N@@H+](C)Cc1cc(F)ncc1F
168364927	ZINC000045137902	mid	2.4	-32.13	1	142.246	0.722	2	1	3	C[C@@H](N)C[NH2+][C@@H]1CC1(C)C
365619507	ZINC000336540780	ref	6.76	-14.04	0	280.343	2.494	2	2	3	CCc1cccc(C)c1NC(=O)N1C[C@@H](F)C[C@@H]1CO
365619511	ZINC000336540400	ref	3.74	-9.17	0	282.409	2.418	1	4	2	Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](O)[C@@H](C)C1
365619517	ZINC000336540436	ref	5.86	-40.62	1	258.365	2.242	2	1	3	Cc1cccc(C2(NC(=O)[C@H]3CC[NH2+]3)CCCC2)c1
343994132	ZINC000139348301	ref	5.66	-12.06	0	177.178	1.678	0	2	0	Cn1ccc2ccc(F)cc2c1=O
346818847	ZINC000589953166	ref	8.93	-10.42	0	275.392	3.41	1	2	5	Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H]1C[C@H]1C
365619524	ZINC000336540490	ref	3.31	-13.95	0	272.439	2.103	0	4	2	Cc1nc(C)c(CN2CC[S@](=O)CC[C@@H]2C)s1
365619527	ZINC000336540490	low	4.76	-52.03	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@H+]2CC[S@](=O)CC[C@@H]2C)s1
365619531	ZINC000336540490	low	4.53	-53.04	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@@H+]2CC[S@](=O)CC[C@@H]2C)s1
365619535	ZINC000336540416	ref	7.22	-40.9	1	258.365	2.329	1	1	2	Cc1cccc([C@H]2CCCN2C(=O)[C@H]2CC[NH2+]2)c1C
365619539	ZINC000336540795	ref	3.75	-8.87	0	280.372	2.471	1	4	3	COc1nn(C)cc1NC(=O)N(C)[C@@H]1CCC(C)(C)C1
365619543	ZINC000336540415	ref	7.18	-40.49	1	258.365	2.329	1	1	2	Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2CC[NH2+]2)c1C
365619544	ZINC000336540229	ref	4.7	-9.94	0	279.287	2.259	0	4	1	Cc1nnc(C(=O)N2CC[C@H](C(F)(F)F)[C@H]2C)s1
365619546	ZINC000336540048	ref	6.5	-11.74	0	272.348	2.187	1	3	3	O=C1[C@@H](Nc2cccc3c2OCCC3)CCN1C1CC1
365619550	ZINC000336540921	ref	6.39	-44.52	1	263.341	2.112	2	3	3	CCc1onc(C)c1NC(=O)C12CCC[NH+]1CCC2
365619553	ZINC000336540921	mid	4.23	-8.43	0	263.341	2.112	1	4	3	CCc1onc(C)c1NC(=O)C12CCCN1CCC2
365619556	ZINC000336540513	ref	5.46	-9.32	0	262.353	2.056	1	3	3	CC(C)n1cccc1C(=O)N1CC[C@@](O)(C2CC2)C1
365619558	ZINC000336540778	ref	6.76	-10.47	0	280.343	2.494	2	2	3	CCc1cccc(C)c1NC(=O)N1C[C@H](F)C[C@@H]1CO
343994137	ZINC000139388765	ref	0.2	-9.9	0	120.173	0.565	0	2	1	C=C(C)S(C)(=O)=O
365619560	ZINC000336540486	ref	4.62	-9.45	0	279.246	2.264	1	4	3	O=C(NC1CC(F)(F)C1)c1cc(-c2ccccn2)no1
365619562	ZINC000336540831	ref	6.64	-20.68	0	271.426	2.184	0	2	3	CCCC1(C(=O)N2CC[S@](=O)C[C@@H](C)C2)CCC1
365619566	ZINC000336540403	ref	3.61	-9.85	0	282.409	2.418	1	4	2	Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](O)[C@@H](C)C1
365619568	ZINC000336540598	ref	5.18	-14.53	0	297.717	2.148	2	3	2	N#Cc1ccc(NC(=O)N2C[C@@H](F)C[C@@H]2CO)cc1Cl
343994140	ZINC000139354561	ref	4.38	-7.32	0	196.294	1.485	1	2	3	CCC(CC)N1C(=O)C2(CC2)N[C@@H]1C
398245806	ZINC000349566238	high	3.09	-59.49	0	241.306	2.172	2	2	7	CC[C@H](O)CCC[NH2+]Cc1cc([O-])cc(F)c1
214187883	ZINC000337630716	ref	5.74	-13.34	0	290.363	3.06	2	3	7	Cc1c[nH]cc1C(=O)N[C@H](COCC(C)C)c1ccco1
214187888	ZINC000337630712	ref	5.74	-13.28	0	290.363	3.06	2	3	7	Cc1c[nH]cc1C(=O)N[C@@H](COCC(C)C)c1ccco1
342597001	ZINC000590783891	mid	3.72	-49.42	1	283.393	1.964	2	3	5	CS(=O)(=O)CCC[N@@H+]1CCC[C@H]1c1ccc(O)cc1
214187892	ZINC000337630055	ref	6.11	-12.79	0	282.303	2.432	1	5	5	O=C(CCc1ccco1)Nc1cnccc1-n1cccn1
214187895	ZINC000337630055	mid	6.56	-38.27	1	282.303	2.432	1	4	5	O=C(CCc1ccco1)Nc1c[nH+]ccc1-n1cccn1
214187900	ZINC000337628416	ref	3.51	-18.21	0	284.381	0.782	1	5	9	CN(CCOCCO)C(=O)CSCc1cccnc1
214187905	ZINC000337629789	ref	7.5	-11.45	0	285.391	2.34	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CC[C@@H]2CCC[C@H]21
214187909	ZINC000337630973	ref	5.72	-85.61	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
214187911	ZINC000337630973	mid	5.38	-86.46	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214187914	ZINC000337630973	mid	2.53	-40.24	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
214187916	ZINC000337630973	mid	2.19	-41.75	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214187919	ZINC000337632286	ref	9.03	-18.88	0	288.391	2.215	1	2	5	CC[C@H]1C[C@]1(NC(=O)CC(=O)N(C)C)c1cccc(C)c1
214187924	ZINC000337631678	ref	7.08	-6.04	0	278.327	2.252	0	3	4	O=C(c1ccc(F)cn1)N1CCC[C@H](OCC2CC2)C1
214187927	ZINC000337631187	ref	5.48	-12.35	0	283.412	2.201	1	3	5	CCCC[C@H](C)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@H]1O
214187931	ZINC000337629813	ref	2.27	-8.47	0	280.328	0.291	2	5	5	COCC1(CNC(=O)C(=O)Nc2ccnn2C)CCC1
214187936	ZINC000337631372	ref	3.9	-11.26	0	283.375	2.287	1	3	4	Cc1ccc2nc(C)c(C(=O)NCCN3CCC3)cc2c1
214187939	ZINC000337631372	mid	7.09	-47.62	1	283.375	2.287	2	2	4	Cc1ccc2nc(C)c(C(=O)NCC[NH+]3CCC3)cc2c1
214187942	ZINC000337628579	ref	3.88	-17.85	0	292.343	0.251	3	5	3	Cc1cc(N(C)C)nc(NC(=O)N[C@@H]2CCC(=O)NC2)n1
365619513	ZINC000121816605	low	10.06	-37.86	1	278.4	2.493	1	2	6	CC[C@H]1CCC[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1
214187945	ZINC000337631051	ref	4.79	-6.17	0	295.408	2.257	2	4	3	CCc1nc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C)sc1C
214187950	ZINC000337628642	ref	1.24	-13.13	0	275.345	0.039	1	5	9	CN(CCOCCO)C(=O)CCOC1CCOCC1
349535966	ZINC000621498458	ref	7.94	-10.04	0	286.366	3.394	1	1	3	CC12CC(CN1C(=O)N[C@@H](C(F)F)C1CCCCC1)C2
365619518	ZINC000121816231	ref	3.0	-10.63	0	273.311	2.098	2	3	5	C[C@@H](N[C@@H](C(N)=O)c1ccc(F)cc1)c1cccnc1
342080771	ZINC000625325711	mid	6.48	-44.59	1	286.416	1.275	2	3	8	CCO[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)C(C)C
214187912	ZINC000293612510	ref	3.7	-19.43	0	370.413	0.815	2	7	2	Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)c1
214187917	ZINC000293601095	ref	0.31	-21.81	0	370.456	0.232	1	6	3	CN(C(=O)c1cnc2c(c1)NC(=O)CS2)[C@H]1CCN(S(C)(=O)=O)C1
365619522	ZINC000121816231	low	3.82	-46.37	1	273.311	2.098	2	2	5	C[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(F)cc1)c1cccnc1
365619526	ZINC000121815784	ref	5.8	-9.33	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2C[C@@H](C)CC[C@@H]2C)cnn1C
365619533	ZINC000121821425	ref	7.86	-9.39	0	293.363	2.401	1	4	6	COc1ccccc1C(=O)N[C@@H](C(=O)OC(C)C)C(C)C
365619538	ZINC000121815529	ref	7.86	-14.06	0	273.336	2.293	1	4	5	CCC[C@@H](C)CC(=O)Nn1cnc2ccccc2c1=O
365619541	ZINC000121815046	ref	8.24	-15.51	0	293.75	2.178	0	3	2	O=C1C[C@@H](CC(=O)N2CCc3c(Cl)cccc3C2)CO1
282123205	ZINC000171457032	ref	4.65	-15.28	0	314.176	1.966	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)c(Cl)[nH]1)CC2
282123211	ZINC000285128960	ref	6.86	-17.77	0	315.764	1.856	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C#N)ccc1Cl)CC2
282123221	ZINC000161353627	ref	7.25	-15.91	0	323.4	2.429	2	4	2	Cc1ccc2[nH]c(C(=O)N[C@@H]3CCc4nc(C)nn4C3)c(C)c2c1
365638676	ZINC000336555023	high	6.11	-3.8	0	279.405	2.192	0	4	3	c1ccc([C@H]2CSCCN2C[C@H]2COCCO2)cc1
365638679	ZINC000336554497	ref	7.9	-39.52	1	260.381	2.432	2	1	3	Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C
365638682	ZINC000336554497	mid	7.93	-37.66	1	260.381	2.432	2	1	3	Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1C
214187920	ZINC000293612178	ref	3.58	-11.7	0	351.378	0.848	1	5	4	COC[C@H]1CCN1C(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1
365638685	ZINC000336554524	ref	5.86	-12.89	0	267.687	2.296	0	2	1	O=C(C1=Cc2cc(Cl)ccc2OC1)N1CC(F)C1
365638690	ZINC000336554437	ref	5.02	-14.16	0	273.361	2.111	1	4	2	C[C@@H]1CSC[C@@H]1NC(=O)c1ccc2nccnc2c1
323004640	ZINC000531121275	ref	2.64	-9.09	0	240.347	1.18	1	3	7	C=CCCCC(=O)NCCN1CCO[C@@H](C)C1
365639354	ZINC000172929608	ref	5.05	-20.92	0	277.328	1.546	1	6	4	Cc1nonc1NC(=O)[C@@H](C)Cc1c(C)nn(C)c1C
178305469	ZINC000005552966	ref	7.1	-8.58	0	216.284	2.962	0	3	1	Cc1cc2ncn([C@@H]3CCCO3)c2cc1C
365619525	ZINC000637717034	ref	2.9	-8.34	0	296.411	1.937	3	3	4	O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)N[C@@H]1CCCC[C@@H]1O
178304296	ZINC000237248519	high	2.41	-72.5	0	363.43	1.836	2	3	6	C[NH2+]C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F
365619529	ZINC000274305169	ref	5.44	-17.69	0	286.335	1.645	2	4	3	O=C(N[C@@H]1CCO[C@H](C2CC2)C1)c1ccnc2[nH]cnc12
365638680	ZINC000565392115	ref	7.06	-8.31	0	260.341	1.988	0	5	4	CCO[C@@H]1C[C@H](N(C)c2ccnc(C#N)n2)C1(C)C
365638687	ZINC000172923970	ref	4.71	-46.36	1	290.392	1.887	2	4	6	CC[N@H+](C)CCNC(=O)c1cnc(-c2ccncc2)s1
365638695	ZINC000172923970	mid	4.71	-46.33	1	290.392	1.887	2	4	6	CC[N@@H+](C)CCNC(=O)c1cnc(-c2ccncc2)s1
365638698	ZINC000172923970	high	2.39	-9.78	0	290.392	1.887	1	5	6	CCN(C)CCNC(=O)c1cnc(-c2ccncc2)s1
214187925	ZINC000293604999	ref	3.01	-23.48	0	351.428	0.952	2	5	3	Cn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)cc21
178304298	ZINC000237253046	ref	6.74	-56.01	-1	350.396	1.991	0	6	5	Cc1cc(CN(C)S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)no1
178304300	ZINC000237264832	ref	4.64	-53.09	1	373.453	1.064	2	5	7	COc1ccc2c(C)c(CCC(=O)NCCN3CC[NH2+]CC3)c(=O)oc2c1
365638701	ZINC000172923837	ref	6.22	-45.96	1	280.416	1.283	2	3	7	Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCCC[NH+](C)C
365638709	ZINC000172916898	ref	2.07	-14.14	0	290.772	1.606	2	3	4	CC(C)(NS(C)(=O)=O)C(=O)Nc1cccc(Cl)c1
178304303	ZINC000237260870	ref	4.48	-57.31	1	354.472	1.8	2	4	7	COC(=O)c1cccc(CS(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1
365638712	ZINC000541109840	ref	5.86	-13.39	0	270.321	1.978	1	7	3	Cc1nnc(CNc2nc3ccccn3c2C#N)s1
365638718	ZINC000172923813	ref	6.01	-42.52	1	263.385	1.783	3	2	7	Cc1cccc(C)c1NCC(=O)NCCC[NH+](C)C
365638726	ZINC000189261154	ref	5.76	-38.1	1	278.396	1.712	1	2	2	CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC[C@@]3(CC=CCC3)C2)C1
282123206	ZINC000356117109	high	6.17	-13.28	0	315.417	1.863	0	4	6	CN(C)C[C@@H]1CN(C(=O)C[C@H](CC#N)c2ccccc2)CCO1
178305472	ZINC000005552966	low	7.58	-26.43	1	216.284	2.962	0	2	1	Cc1cc2[nH+]cn([C@@H]3CCCO3)c2cc1C
365638734	ZINC000565392113	ref	7.31	-8.77	0	260.341	1.988	0	5	4	CCO[C@H]1C[C@@H](N(C)c2ccnc(C#N)n2)C1(C)C
214187930	ZINC000293607750	ref	3.0	-9.93	0	366.418	0.45	3	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](CO)C1CCCCC1
365638740	ZINC000172918239	ref	5.5	-12.79	0	289.331	1.42	0	4	2	O=C([C@@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1
398245808	ZINC000650859152	ref	3.69	-10.74	0	270.373	1.356	2	3	3	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@@H](C)CC1
259308582	ZINC000517230311	ref	2.34	-42.72	1	211.302	0.757	1	2	6	C[C@H](F)CC[NH2+]C[C@@H](C)S(C)(=O)=O
398245812	ZINC000650859857	ref	5.0	-41.81	1	283.416	1.585	3	2	4	CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)C1
398245816	ZINC000650859857	mid	4.56	-42.39	1	283.416	1.585	3	2	4	CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+](C)C1
398245820	ZINC000650859857	high	2.61	-8.85	0	283.416	1.585	2	3	4	CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1CCCN(C)C1
398245822	ZINC000650859538	ref	7.41	-86.07	2	298.475	1.605	4	1	8	CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1
398245825	ZINC000650859538	mid	7.41	-86.01	2	298.475	1.605	4	1	8	CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C)C1
398245829	ZINC000650859538	mid	7.41	-86.0	2	298.475	1.605	4	1	8	CC(C)C[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@H+](C)C1
398245831	ZINC000650859538	mid	6.97	-86.65	2	298.475	1.605	4	1	8	CC(C)C[NH+](C)CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1
398245834	ZINC000650859538	high	5.02	-42.23	1	298.475	1.605	3	2	8	CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1CCCN(C)C1
398245837	ZINC000650859538	high	5.01	-42.16	1	298.475	1.605	3	2	8	CC(C)C[N@@H+](C)CCCNC(=O)NC[C@@H]1CCCN(C)C1
398245841	ZINC000650859470	ref	7.23	-45.4	1	287.354	1.769	2	1	2	C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CC3(F)F)C1
398245844	ZINC000650859470	mid	6.79	-45.91	1	287.354	1.769	2	1	2	C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CC3(F)F)C1
398245846	ZINC000650859470	high	4.85	-10.55	0	287.354	1.769	1	2	2	CN1CCC[C@H](CNC(=O)N2CC[C@@]3(C2)CC3(F)F)C1
398245850	ZINC000650859257	ref	2.57	-12.56	0	283.343	1.396	3	3	8	CCC[C@H](O)CC(=O)NC[C@@H](O)Cc1cccc(F)c1
214187966	ZINC000053527177	ref	3.53	-21.84	0	345.403	0.812	3	4	4	CC(=O)NCCNC(=O)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
214187970	ZINC000053526919	ref	4.34	-13.99	0	330.432	1.163	2	3	6	CC(=O)NCCNC(=O)N1CCN(C/C=C/c2ccccc2)CC1
230233635	ZINC000352795687	mid	3.39	-50.52	1	256.262	-0.517	2	6	5	C[N@@H+](CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@@H]1O
230233641	ZINC000352795687	mid	1.26	-13.0	0	256.262	-0.517	1	7	5	CN(CCn1ccc([N+](=O)[O-])n1)[C@@H]1COC[C@@H]1O
230233647	ZINC000347966653	ref	0.36	-8.67	0	272.345	-0.24	2	4	6	CCN(CCCO)C(=O)C(=O)NC[C@@]1(C)CCOC1
230233658	ZINC000351677848	ref	2.96	-40.56	1	285.388	-0.502	1	4	6	C[NH+](C)CC(=O)N1CC[C@@H](OCCN2CCOCC2)C1
230233665	ZINC000351677848	mid	0.56	-11.51	0	285.388	-0.502	0	5	6	CN(C)CC(=O)N1CC[C@@H](OCCN2CCOCC2)C1
230233673	ZINC000351677848	low	5.29	-83.0	2	285.388	-0.502	2	3	6	C[NH+](C)CC(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1
349535412	ZINC000621243498	low	5.65	-33.29	1	287.367	2.293	3	3	3	C[C@@H]1[C@@H](Nc2[nH+]cnc3[nH]cc(C(N)=O)c23)CCC[C@H]1C
365619537	ZINC000617366558	low	4.12	-40.55	1	281.356	0.9	2	3	7	COC[C@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCOCC1
365619540	ZINC000617366558	low	4.1	-40.48	1	281.356	0.9	2	3	7	COC[C@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCOCC1
365619542	ZINC000617366610	ref	1.55	-9.13	0	259.346	0.705	2	4	6	COC[C@H](NC(=O)CC(C)(C)O)C1CCOCC1
365619545	ZINC000617366314	ref	-1.0	-9.19	0	298.339	0.992	1	6	7	COCc1nc(C(=O)N[C@@H](COC)C2CCOCC2)co1
365619547	ZINC000617366945	ref	-0.26	-9.16	0	272.345	0.056	2	4	7	COC[C@H](NC(=O)[C@H](C)CC(N)=O)C1CCOCC1
365619549	ZINC000617365817	ref	0.63	-10.78	0	297.355	0.6	1	6	6	COC[C@H](NC(=O)c1cc(OC)n(C)n1)C1CCOCC1
282123207	ZINC000248979627	ref	0.52	-9.16	0	302.396	1.269	2	4	6	C[C@@H]1CCCN(S(=O)(=O)N[C@H](CCO)c2ccco2)C1
365619551	ZINC000617366948	ref	3.79	-39.69	1	270.373	0.496	2	3	5	COC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCOCC1
365619552	ZINC000617366948	mid	3.83	-37.65	1	270.373	0.496	2	3	5	COC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCOCC1
365619555	ZINC000617366971	ref	2.4	-9.64	0	293.367	0.967	1	5	7	COC[C@@H](NC(=O)CCc1cnccn1)C1CCOCC1
365619559	ZINC000617365945	ref	4.04	-8.91	0	271.357	0.969	1	4	7	COC[C@@H](NC(=O)[C@H](OC)C1CC1)C1CCOCC1
365619563	ZINC000617366300	ref	2.77	-10.16	0	281.356	0.9	2	4	7	COC[C@H](NC(=O)CCc1ncc[nH]1)C1CCOCC1
365619565	ZINC000617366300	low	3.24	-36.73	1	281.356	0.9	2	3	7	COC[C@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCOCC1
365619567	ZINC000617366294	ref	5.4	-16.36	0	274.309	0.79	2	5	3	O=C(Cn1cncn1)N=c1cc(-c2cccs2)[nH][nH]1
365619570	ZINC000617366294	mid	5.27	-42.43	-1	274.309	0.79	1	5	3	O=C(Cn1cncn1)N=c1cc(-c2cccs2)[n-][nH]1
365619573	ZINC000617366057	ref	2.45	-9.39	0	293.367	0.717	2	5	6	CNc1ccc(C(=O)N[C@H](COC)C2CCOCC2)cn1
365619577	ZINC000617366400	ref	3.65	-9.8	0	267.329	0.591	1	5	5	COC[C@H](NC(=O)c1cncn1C)C1CCOCC1
290622814	ZINC000334263912	ref	4.93	-15.87	0	276.311	2.239	2	2	2	C[C@H]1CC[C@@H]1NC(=O)c1cc2c(cc1F)NC(=O)CC2
365619579	ZINC000617366417	ref	2.49	-9.55	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@H]1CO[C@@H](C)C1)C1CCOCC1
365619582	ZINC000617365290	ref	3.85	-8.07	0	294.351	0.766	1	5	6	COC[C@@H](NC(=O)C(=O)c1cccn1C)C1CCOCC1
365619586	ZINC000617366418	ref	2.43	-7.6	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)C1CCOCC1
349535413	ZINC000621242615	ref	4.13	-7.41	0	282.434	2.246	1	4	3	CCCc1ccc([C@H]2NC(=O)[C@@H]3CSCCN23)s1
365619548	ZINC000565280678	ref	5.45	-13.19	0	268.324	1.522	0	6	3	Cc1nc(N2CCC[C@H]2Cn2ccnn2)ccc1C#N
365619554	ZINC000172802326	ref	4.51	-34.76	1	264.373	1.863	1	4	3	CC(C)c1nc(CN2CC[N@@H+]3CCCC[C@@H]3C2)no1
365619557	ZINC000172802326	mid	4.21	-32.7	1	264.373	1.863	1	4	3	CC(C)c1nc(CN2CC[N@H+]3CCCC[C@@H]3C2)no1
365619561	ZINC000172802326	high	1.96	-5.25	0	264.373	1.863	0	5	3	CC(C)c1nc(CN2CCN3CCCC[C@@H]3C2)no1
365619564	ZINC000567751251	ref	8.49	-40.65	-1	297.428	1.499	1	5	4	CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1n[n-]c(=N)n1C
365619569	ZINC000567751251	low	8.47	-11.7	0	297.428	1.499	1	4	4	CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1n[n-]c(=[NH2+])n1C
365619571	ZINC000172801029	ref	6.32	-40.46	1	291.37	1.934	2	2	3	O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1cccc(F)c1
365619574	ZINC000172801029	mid	6.19	-39.8	1	291.37	1.934	2	2	3	O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1cccc(F)c1
365619576	ZINC000172801029	mid	3.95	-11.67	0	291.37	1.934	1	3	3	O=C(CN1CCN2CCCC[C@@H]2C1)Nc1cccc(F)c1
365619580	ZINC000172798534	ref	5.27	-11.29	0	273.311	1.478	0	4	2	Cn1nc2c(cc1=O)CN(Cc1cccc(F)c1)CC2
365619583	ZINC000172798534	mid	7.55	-59.53	1	273.311	1.478	1	3	2	Cn1nc2c(cc1=O)C[N@@H+](Cc1cccc(F)c1)CC2
365619585	ZINC000172798534	mid	7.55	-59.68	1	273.311	1.478	1	3	2	Cn1nc2c(cc1=O)C[N@H+](Cc1cccc(F)c1)CC2
365619587	ZINC000330566971	ref	6.61	-12.98	0	272.352	1.292	1	4	3	C[C@H]1C[C@H](C)CN(C(=O)CNc2ccc(C#N)cn2)C1
365619591	ZINC000565279263	ref	3.46	-18.55	0	279.296	1.078	2	4	6	C[C@H](CC(N)=O)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1
365619598	ZINC000565281602	ref	3.2	-8.71	0	270.336	1.196	1	4	4	N#Cc1ccc(CN2CCC[C@@H]2C(=O)NC2CC2)nc1
365619603	ZINC000565281602	low	6.38	-40.8	1	270.336	1.196	2	3	4	N#Cc1ccc(C[N@H+]2CCC[C@@H]2C(=O)NC2CC2)nc1
365619608	ZINC000565281602	low	5.61	-40.68	1	270.336	1.196	2	3	4	N#Cc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NC2CC2)nc1
365619611	ZINC000172794982	ref	4.23	-9.59	0	260.337	1.933	1	3	2	Cc1ncccc1C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
342080772	ZINC000625325711	mid	3.96	-9.86	0	286.416	1.275	1	4	8	CCO[C@H](C(=O)N[C@@H]1CCCN(CCOC)C1)C(C)C
365619619	ZINC000306454003	ref	0.89	-6.19	0	273.13	1.324	2	4	2	Cc1cc(N[C@@H]2COC[C@@H]2O)ncc1Br
365619624	ZINC000158186501	ref	3.88	-51.1	1	260.345	1.139	1	5	5	[NH3+]CCc1cn(Cc2ccn(C3CCCC3)n2)nn1
214187929	ZINC000278490296	ref	9.85	-52.15	1	319.474	2.898	2	2	3	Cc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCSC3)CC2)c1
214187934	ZINC000278490296	mid	7.81	-9.97	0	319.474	2.898	1	3	3	Cc1cccc(NC(=O)N2CCN(C[C@@H]3CCSC3)CC2)c1
214187937	ZINC000278489512	ref	2.2	-19.16	0	315.416	1.122	0	4	4	C#CC(C)(C)N(C)S(=O)(=O)c1cccc(S(C)(=O)=O)c1
214187941	ZINC000278490221	ref	4.65	-7.11	0	318.417	1.355	2	3	5	C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](O)CCc2ccccc2)C1
214187946	ZINC000278489887	ref	9.09	-43.85	1	320.502	2.273	1	3	7	c1ccc(C[C@H](CN2CCOCC2)[NH2+]C[C@@H]2CCSC2)cc1
214187949	ZINC000278489484	ref	1.14	-12.08	0	314.354	2.004	2	5	5	CS[C@@H](CO)[C@H](C)NC(=O)c1ncsc1C(F)(F)F
214187953	ZINC000278490407	ref	3.17	-12.9	0	307.39	2.09	2	4	8	COC[C@@](C)(CCO)NC(=O)c1ccc(OC)c(C2CC2)c1
214187957	ZINC000278490846	ref	5.47	-18.17	0	315.373	2.414	2	4	5	CCOc1ccccc1NC(=O)NCc1ccc(C)n(C)c1=O
214187961	ZINC000278489896	ref	9.9	-64.78	1	308.447	1.899	1	3	9	CC(=O)CSCC(=O)N(CC[NH+](C)C)Cc1ccccc1
214187965	ZINC000278489896	mid	7.44	-16.97	0	308.447	1.899	0	4	9	CC(=O)CSCC(=O)N(CCN(C)C)Cc1ccccc1
214187967	ZINC000278489968	ref	9.74	-52.83	1	306.479	2.351	1	4	5	CCc1cc(N2CCC([NH2+]C[C@@H]3CCSC3)CC2)ncn1
214187973	ZINC000278489399	ref	1.47	-17.53	0	322.477	1.149	0	5	2	Cc1nc(C)c(S(=O)(=O)N2CC[S@@](=O)C[C@@H](C)C2)s1
342080773	ZINC000625325224	ref	2.25	-9.13	0	293.342	1.57	2	4	7	CO[C@H](C[NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1
214187975	ZINC000278490496	ref	4.72	-10.57	0	316.741	1.948	1	5	7	COC[C@H](CNC(=O)c1c(C)cc(Cl)cc1[N+](=O)[O-])OC
214187980	ZINC000278490606	ref	7.55	-98.41	2	314.832	2.458	3	1	6	C[NH+]1CCC(O)(C[NH2+]CCCc2c(F)cccc2Cl)CC1
214187982	ZINC000278490606	high	5.19	-37.14	1	314.832	2.458	2	2	6	CN1CCC(O)(C[NH2+]CCCc2c(F)cccc2Cl)CC1
214187986	ZINC000278490947	ref	3.05	-15.67	0	323.386	1.354	0	3	2	C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[S@](=O)C1
214187989	ZINC000278490350	ref	6.04	-18.03	0	305.3	2.171	1	3	4	CCOCC(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
214187992	ZINC000278490350	mid	5.96	-14.19	0	305.3	2.171	1	3	4	CCOCC(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
214187996	ZINC000278489088	ref	6.73	-17.19	0	304.35	1.486	1	6	7	COCCOCC(=O)Nc1cc(C)nn1-c1cc(C)ccn1
214188001	ZINC000278489865	ref	6.42	-5.98	0	312.207	2.912	1	2	2	Cc1cc(Br)cc(C(=O)N[C@@H]2CCOC[C@@H]2C)c1
230233638	ZINC000331127034	ref	-0.06	-15.21	0	258.274	-1.495	2	5	4	COC(=O)[C@@](C)(O)CNC(=O)[C@@H]1CC(=O)N(C)C1
365619572	ZINC000336540961	ref	8.38	-15.5	0	295.433	2.292	0	5	2	C[C@H]1CCN(C(=O)Cc2csc3nccn23)CCS1
365619575	ZINC000336540295	ref	7.49	-10.91	0	273.323	2.495	0	2	3	C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCC(C(F)F)CC1
365619578	ZINC000336540052	ref	4.01	-12.91	0	289.709	2.461	1	2	2	C[C@@H]1[C@H](CO)CCN1C(=O)c1ccc(F)c(Cl)c1F
365619581	ZINC000336540397	ref	4.57	-7.36	0	254.374	2.291	2	2	3	C[C@@H]1COCC[C@H]1NC(=O)NCC1(C)CCCC1
365619584	ZINC000336540091	ref	7.82	-11.03	0	273.38	2.496	0	3	2	Cc1ncc2c(n1)CCN(C(=O)C[C@H]1CC[C@@H](C)C1)C2
342597002	ZINC000590783891	mid	3.02	-46.61	1	283.393	1.964	2	3	5	CS(=O)(=O)CCC[N@H+]1CCC[C@H]1c1ccc(O)cc1
197594975	ZINC000162827492	ref	7.74	-9.63	0	311.834	2.615	0	3	2	O=C(Cc1cccc(Cl)c1)N1CCS[C@@H]2COCC[C@H]21
365619588	ZINC000336540901	ref	6.04	-15.99	0	279.727	2.296	0	4	2	Cn1ccnc1[C@H]1CCN(C(=O)c2ccoc2Cl)C1
365619590	ZINC000336540901	low	6.58	-40.5	1	279.727	2.296	0	3	2	Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2ccoc2Cl)C1
365619592	ZINC000336540401	ref	3.7	-9.04	0	282.409	2.418	1	4	2	Cc1nc(C(C)C)sc1C(=O)N1CC[C@H](O)[C@H](C)C1
282123208	ZINC000449155265	ref	6.68	-55.2	1	285.395	2.368	2	3	4	c1cc(C[NH2+][C@@H]2CCc3n[nH]cc3C2)n(C2CCCC2)n1
199273121	ZINC000181261839	ref	4.91	-14.3	0	306.753	2.124	2	4	2	O=C(Nc1ccn(-c2ccccc2Cl)n1)N1CC[C@@H](O)C1
282123214	ZINC000449155265	high	5.5	-8.71	0	285.395	2.368	2	4	4	c1cc(CN[C@@H]2CCc3n[nH]cc3C2)n(C2CCCC2)n1
342597003	ZINC000590784092	ref	3.69	-15.16	0	253.367	1.792	0	3	4	Cc1ccc2c(c1)N(CCCS(C)(=O)=O)CC2
342600565	ZINC000616999782	low	6.99	-81.64	2	278.4	1.579	3	1	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH+]c[nH]2)C1
282123218	ZINC000449156021	ref	5.35	-49.05	1	265.401	2.495	2	3	7	CC(C)[C@@H](O)CC[NH2+]Cc1ccnn1C1CCCC1
282123225	ZINC000449156021	high	4.2	-5.48	0	265.401	2.495	2	4	7	CC(C)[C@@H](O)CCNCc1ccnn1C1CCCC1
342600566	ZINC000616999782	low	6.91	-81.33	2	278.4	1.579	3	1	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1
197594983	ZINC000162834497	ref	6.28	-7.7	0	300.79	2.319	0	6	5	CC(C)(C)OCCOc1nc(Cl)nc(N2CCCC2)n1
342600567	ZINC000616999782	low	6.97	-81.64	2	278.4	1.579	3	1	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCc2c[nH]c[nH+]2)C1
342600568	ZINC000590852970	ref	1.56	-15.9	0	267.354	1.578	3	3	5	CSCCNC(=O)Nc1cc(C)cc(C(N)=O)c1
342600569	ZINC000616999951	ref	5.91	-39.67	1	280.412	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@]23CCOC3)C1
365619589	ZINC000617366970	ref	2.46	-9.56	0	293.367	0.967	1	5	7	COC[C@H](NC(=O)CCc1cnccn1)C1CCOCC1
365619593	ZINC000617366665	ref	2.76	-13.51	0	281.356	0.52	1	5	6	COC[C@@H](NC(=O)Cc1ccnn1C)C1CCOCC1
342080774	ZINC000625325224	mid	2.25	-9.13	0	293.342	1.57	2	5	7	CO[C@H](CN[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1
365619595	ZINC000617365355	ref	0.76	-7.14	0	259.346	0.561	2	4	6	COC[C@@H](NC(=O)[C@@H](O)C(C)C)C1CCOCC1
365619597	ZINC000617366406	ref	2.11	-12.47	0	284.356	0.023	1	4	5	COC[C@H](NC(=O)C1CN(C(C)=O)C1)C1CCOCC1
365619601	ZINC000617365058	ref	1.9	-14.78	0	298.383	0.603	2	4	6	COC[C@@H](NC(=O)C[C@@H]1CCCC(=O)N1)C1CCOCC1
365619605	ZINC000617364761	ref	4.05	-9.8	0	293.367	0.967	1	5	7	COC[C@@H](NC(=O)CCc1cncnc1)C1CCOCC1
365619607	ZINC000617365057	ref	1.95	-14.76	0	298.383	0.603	2	4	6	COC[C@H](NC(=O)C[C@H]1CCCC(=O)N1)C1CCOCC1
365619609	ZINC000617366485	ref	4.12	-9.22	0	293.367	0.967	1	5	7	COC[C@H](NC(=O)CCc1ccncn1)C1CCOCC1
365619612	ZINC000617365319	ref	3.29	-10.87	0	293.367	0.967	1	5	7	COC[C@H](NC(=O)CCc1ncccn1)C1CCOCC1
342080775	ZINC000625325371	ref	3.88	-9.4	0	287.425	1.909	1	3	4	CC1(C)C[C@H](S(=O)(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CO1
342080776	ZINC000625325712	ref	6.46	-44.78	1	286.416	1.275	2	3	8	CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOC)C1)C(C)C
365619617	ZINC000617366246	ref	2.03	-9.88	0	267.272	0.783	1	4	7	COC[C@H](NC(=O)COC(F)F)C1CCOCC1
342080777	ZINC000625325712	mid	5.98	-44.13	1	286.416	1.275	2	3	8	CCO[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCOC)C1)C(C)C
365619618	ZINC000617366557	ref	3.58	-11.23	0	281.356	0.9	2	4	7	COC[C@@H](NC(=O)CCc1c[nH]cn1)C1CCOCC1
365619621	ZINC000617366557	mid	3.56	-11.27	0	281.356	0.9	2	4	7	COC[C@@H](NC(=O)CCc1cnc[nH]1)C1CCOCC1
365619623	ZINC000617366557	low	4.07	-40.54	1	281.356	0.9	2	3	7	COC[C@@H](NC(=O)CCc1c[nH+]c[nH]1)C1CCOCC1
365619626	ZINC000617366557	low	4.04	-40.44	1	281.356	0.9	2	3	7	COC[C@@H](NC(=O)CCc1c[nH]c[nH+]1)C1CCOCC1
365619628	ZINC000617366148	ref	2.65	-7.4	0	265.313	0.648	1	5	5	COC[C@@H](NC(=O)c1ccncn1)C1CCOCC1
259308585	ZINC000517230311	high	1.13	-11.57	0	211.302	0.757	1	3	6	C[C@H](F)CCNC[C@@H](C)S(C)(=O)=O
342080778	ZINC000625325712	mid	3.65	-12.17	0	286.416	1.275	1	4	8	CCO[C@@H](C(=O)N[C@H]1CCCN(CCOC)C1)C(C)C
342080779	ZINC000625325769	ref	3.85	-10.69	0	275.414	1.769	1	3	8	COCCCCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
365619632	ZINC000617366240	ref	1.97	-9.9	0	267.272	0.783	1	4	7	COC[C@@H](NC(=O)COC(F)F)C1CCOCC1
365619594	ZINC000336540174	ref	4.39	-9.59	0	291.338	2.074	0	3	3	CC[C@H]1CN(C(=O)C(C)(C)C(F)F)C[C@@]2(CCOC2)O1
365619596	ZINC000336540493	ref	2.99	-13.2	0	272.439	2.103	0	4	2	Cc1nc(C)c(CN2CC[S@@](=O)CC[C@@H]2C)s1
365619599	ZINC000336540493	low	4.78	-50.77	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@H+]2CC[S@@](=O)CC[C@@H]2C)s1
365619600	ZINC000336540493	low	4.71	-49.91	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@@H+]2CC[S@@](=O)CC[C@@H]2C)s1
365619602	ZINC000336540615	ref	0.99	-43.75	-1	250.081	2.018	2	3	2	C[C@@H](O)C(=O)Nc1cc(Cl)c([O-])c(Cl)c1
365619604	ZINC000336540615	low	0.24	-9.76	0	250.081	2.018	3	3	2	C[C@@H](O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1
343994134	ZINC000600955272	ref	5.03	-49.31	1	241.316	2.209	2	4	3	C[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])s2)C[NH2+]1
343994136	ZINC000625559106	ref	2.67	-9.94	0	203.307	1.448	1	2	7	C=CCCCS(=O)(=O)NC/C=C\C
398245809	ZINC000649444072	ref	4.94	-52.94	1	229.283	1.948	2	2	2	COc1cc(C2=CC[NH2+]CC2)cc2[nH]cnc12
365619606	ZINC000336540086	ref	4.41	-10.75	0	290.363	2.251	2	3	3	CC(=O)Nc1cccc(C(=O)N[C@]2(C)CCO[C@@H]2C)c1C
349535414	ZINC000621495879	ref	7.49	-9.58	0	272.339	3.006	1	1	3	C[C@@H]1CC2(CCC2)CN1C(=O)NCC[C@H]1CC1(F)F
136229340	ZINC000293327172	ref	4.22	-4.7	0	239.746	2.274	1	2	6	C=C(Cl)CN(C)C[C@@H](O)Cc1ccccc1
365619610	ZINC000336540562	ref	8.88	-33.84	1	250.386	2.119	1	1	2	CN(C(=O)[C@@H]1CC12CCCC2)[C@H]1CCC[N@H+](C)C1
398245813	ZINC000649443923	ref	8.54	-38.24	1	240.35	3.04	2	1	4	C[NH+](C)CCc1ccc(-c2ccc(N)cc2)cc1
342080780	ZINC000625325528	ref	6.5	-11.51	0	284.4	1.727	1	3	8	COCCN(CCOC)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
365619613	ZINC000336540562	mid	8.76	-38.19	1	250.386	2.119	1	1	2	CN(C(=O)[C@@H]1CC12CCCC2)[C@H]1CCC[N@@H+](C)C1
343994138	ZINC000625559076	ref	-2.55	-11.84	0	241.247	-0.11	1	5	4	COc1nc(C(=O)N[C@H](C)C(=O)N(C)C)co1
343994141	ZINC000073767088	ref	7.11	-19.56	0	246.314	1.472	1	4	3	C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2ccnc2)C1
365619614	ZINC000336540562	high	6.38	-7.89	0	250.386	2.119	0	2	2	CN1CCC[C@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1
230744935	ZINC000450486094	ref	5.13	-12.14	0	310.199	1.913	0	5	4	Cc1ccc(Br)cc1CN(C)Cc1nnnn1C
299072296	ZINC000354603259	ref	2.39	-26.78	0	339.417	0.736	1	4	3	Cc1cc[nH]c(=O)c1C(=O)N1CC[C@H](S(=O)(=O)N2CCCC2)C1
343994146	ZINC000073767088	low	7.62	-43.64	1	246.314	1.472	1	3	3	C[C@@H]1CCC[C@@](C#N)(NC(=O)Cn2cc[nH+]c2)C1
365619615	ZINC000336540480	ref	6.73	-13.41	0	285.453	2.43	0	2	2	CC1CCC(CC(=O)N2CC[S@@](=O)C[C@@H](C)C2)CC1
398245817	ZINC000649443814	ref	7.27	-41.64	1	242.366	3.054	1	1	2	C1=C(c2cccc(N3CCCCC3)c2)CC[NH2+]C1
178304310	ZINC000237258002	ref	8.08	-65.53	-1	357.41	1.862	0	6	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C1
365619616	ZINC000336540087	ref	3.9	-10.68	0	290.363	2.251	2	3	3	CC(=O)Nc1cccc(C(=O)N[C@@]2(C)CCO[C@@H]2C)c1C
178304314	ZINC000237260268	ref	7.65	-57.21	1	365.861	1.774	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1
178304317	ZINC000237260268	mid	6.41	-20.81	0	365.861	1.774	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCN[C@@H](C)C1
346818848	ZINC000611566056	ref	5.97	-13.75	0	279.409	1.858	2	3	6	C=CCSCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1
365619620	ZINC000336540613	ref	6.19	-13.9	0	298.386	2.137	1	2	2	Cc1ccccc1C1=CCN(C(=O)[C@@]2(C)CCCNC2=O)C1
282123209	ZINC000152082072	ref	8.09	-37.53	1	296.455	2.382	1	2	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1
282123216	ZINC000152082072	high	5.52	-7.6	0	296.455	2.382	0	3	4	CN(C)C[C@@H]1CN(C(=O)C[C@H]2CCCCC2(C)C)CCO1
365619622	ZINC000336540550	ref	6.4	-14.76	0	285.347	2.464	1	4	3	Cc1cc(C)n(CC(=O)Nc2cccc3c2OCCC3)n1
365619625	ZINC000336540767	ref	6.21	-10.4	0	296.317	2.248	0	3	2	O=C(c1ncc(F)cc1F)N1CCC[C@H]([C@H]2CCOC2)C1
365619627	ZINC000336540076	ref	5.74	-6.34	0	263.385	2.344	0	4	2	Cn1ccc(CN2CC(C)(C)OC3(CCCC3)C2)n1
178304319	ZINC000237247585	ref	9.15	-38.66	1	359.47	1.514	1	3	6	C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)COc2ccccc2)C1
290622817	ZINC000451724631	ref	7.99	-11.99	0	302.252	3.142	1	3	3	C[C@H]1CC[C@@H]1NC(=O)c1cc(C(F)(F)F)ccc1[N+](=O)[O-]
365619629	ZINC000336540076	low	7.71	-34.27	1	263.385	2.344	1	3	2	Cn1ccc(C[N@H+]2CC(C)(C)OC3(CCCC3)C2)n1
365619630	ZINC000336540076	low	7.27	-33.74	1	263.385	2.344	1	3	2	Cn1ccc(C[N@@H+]2CC(C)(C)OC3(CCCC3)C2)n1
365619633	ZINC000336540481	ref	6.74	-20.27	0	285.453	2.43	0	2	2	CC1CCC(CC(=O)N2CC[S@@](=O)C[C@H](C)C2)CC1
343994143	ZINC000139354561	low	5.68	-44.94	1	196.294	1.485	1	1	3	CCC(CC)N1C(=O)C2(CC2)[NH2+][C@@H]1C
343994144	ZINC000139410316	ref	3.45	-6.93	0	182.15	1.409	0	3	1	O=Cc1ccc2c(c1F)OCCO2
346818853	ZINC000611566056	mid	5.98	-12.04	0	279.409	1.858	2	3	6	C=CCSCCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1
178304321	ZINC000237247418	ref	5.47	-54.46	1	357.451	1.048	1	3	6	CN(CCCC(=O)N1CCC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1
343994147	ZINC000139354486	ref	4.27	-7.29	0	196.294	1.485	1	2	3	CCC(CC)N1C(=O)C2(CC2)N[C@H]1C
365619637	ZINC000336540053	ref	4.11	-12.71	0	289.709	2.461	1	2	2	C[C@H]1[C@H](CO)CCN1C(=O)c1ccc(F)c(Cl)c1F
342597004	ZINC000590785202	ref	5.45	-48.46	1	262.353	1.271	2	2	3	CN(C)C(=O)CC[N@@H+]1CCc2ccc(O)cc2CC1
342597005	ZINC000590785202	mid	5.46	-48.61	1	262.353	1.271	2	2	3	CN(C)C(=O)CC[N@H+]1CCc2ccc(O)cc2CC1
365619631	ZINC000172795121	ref	5.18	-19.62	0	292.335	1.07	1	4	5	CNC(=O)c1cccc(C(=O)N(CC(=O)OC)C(C)C)c1
365619635	ZINC000258640497	ref	6.63	-49.97	1	269.352	1.93	2	4	4	C[C@H]([NH3+])CNc1cc(N2CCc3ccccc32)ncn1
282123213	ZINC000248980419	ref	0.1	-16.8	0	323.418	1.298	3	6	7	C[C@@H](O)CN(CC(=O)Nc1nc2ccccc2s1)[C@H](C)CO
342597006	ZINC000590788522	ref	6.82	-41.72	1	276.384	1.85	2	3	4	Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1C1CC1
282123217	ZINC000248980419	mid	2.56	-43.1	1	323.418	1.298	4	5	7	C[C@@H](O)C[N@H+](CC(=O)Nc1nc2ccccc2s1)[C@H](C)CO
282123222	ZINC000248980419	mid	2.93	-40.3	1	323.418	1.298	4	5	7	C[C@@H](O)C[N@@H+](CC(=O)Nc1nc2ccccc2s1)[C@H](C)CO
365619641	ZINC000565247211	ref	1.84	-52.44	1	299.421	1.416	2	4	4	N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@H]([NH3+])C2)s1
365619646	ZINC000565247211	high	1.48	-57.54	0	299.421	1.416	1	4	4	N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]([NH3+])C2)s1
365619651	ZINC000172802557	ref	6.25	-37.76	1	273.38	1.795	2	2	3	O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)Nc1ccccc1
365619655	ZINC000172802557	mid	6.13	-37.29	1	273.38	1.795	2	2	3	O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)Nc1ccccc1
342597007	ZINC000590788522	mid	6.52	-39.85	1	276.384	1.85	2	3	4	Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1C1CC1
197594986	ZINC000290097525	ref	5.75	-14.89	0	297.326	2.04	1	4	7	COC(=O)C[C@H](C)CC(=O)NCc1cc(F)ccc1OC
365619657	ZINC000172802557	mid	3.88	-9.17	0	273.38	1.795	1	3	3	O=C(CN1CCN2CCCC[C@@H]2C1)Nc1ccccc1
365619661	ZINC000172803052	ref	5.15	-41.28	1	294.424	1.64	2	4	3	C[C@H](C(=O)Nc1nccs1)N1CC[N@@H+]2CCCC[C@@H]2C1
365619666	ZINC000172803052	mid	5.16	-41.13	1	294.424	1.64	2	4	3	C[C@H](C(=O)Nc1nccs1)N1CC[N@H+]2CCCC[C@@H]2C1
365619667	ZINC000172803052	mid	2.91	-12.7	0	294.424	1.64	1	5	3	C[C@H](C(=O)Nc1nccs1)N1CCN2CCCC[C@@H]2C1
342597008	ZINC000590788522	mid	4.46	-11.84	0	276.384	1.85	1	4	4	Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@H]1C1CC1
342597009	ZINC000590786154	ref	10.69	-93.23	2	295.471	1.907	2	1	7	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CC2)CC1
365619672	ZINC000565280897	ref	5.87	-10.98	0	280.335	1.378	0	6	2	Cc1ccnc(N2CCN(c3cnccc3C#N)CC2)n1
365619675	ZINC000565279261	ref	3.46	-18.56	0	279.296	1.078	2	4	6	C[C@@H](CC(N)=O)NC(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1
343994149	ZINC000139354486	low	5.52	-44.05	1	196.294	1.485	1	1	3	CCC(CC)N1C(=O)C2(CC2)[NH2+][C@H]1C
365619634	ZINC000617366080	ref	2.38	-9.41	0	279.34	0.956	1	5	5	COC[C@H](NC(=O)c1cnnc(C)c1)C1CCOCC1
365619636	ZINC000617366058	ref	2.5	-9.31	0	293.367	0.717	2	5	6	CNc1ccc(C(=O)N[C@@H](COC)C2CCOCC2)cn1
342080781	ZINC000625325499	ref	4.39	-7.76	0	260.403	1.599	1	2	6	CCCN(C)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080782	ZINC000625325212	ref	3.14	-8.79	0	261.387	1.377	1	3	6	COC[C@H](C)S(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080783	ZINC000625325586	ref	3.99	-9.18	0	275.414	1.767	1	3	7	CC(C)OCCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080784	ZINC000625325700	ref	4.1	-40.33	1	292.379	1.541	3	3	5	COCC[N@@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2O)C1
342080785	ZINC000625325700	mid	3.56	-40.54	1	292.379	1.541	3	3	5	COCC[N@H+]1CCC[C@@H](NC(=O)c2c(C)cccc2O)C1
342080786	ZINC000625325700	mid	1.24	-10.27	0	292.379	1.541	2	4	5	COCCN1CCC[C@@H](NC(=O)c2c(C)cccc2O)C1
342080787	ZINC000625325700	high	2.02	-52.59	-1	292.379	1.541	1	4	5	COCCN1CCC[C@@H](NC(=O)c2c(C)cccc2[O-])C1
136229341	ZINC000293327172	mid	6.61	-40.0	1	239.746	2.274	2	1	6	C=C(Cl)C[N@H+](C)C[C@@H](O)Cc1ccccc1
342080788	ZINC000625325553	ref	2.72	-11.11	0	291.413	1.147	1	4	8	CO[C@@H](CS(=O)(=O)NCC[C@@H]1CCCOC1)C1CC1
342080789	ZINC000625325645	ref	4.83	-46.45	1	292.305	1.861	2	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](C)c1cn[nH]c1
342080790	ZINC000625325645	mid	3.64	-12.59	0	292.305	1.861	2	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@H](C)c1cn[nH]c1
342080791	ZINC000625325316	ref	1.35	-10.1	0	292.445	1.064	2	3	9	CC[NH+](CC)CCS(=O)(=O)NCC[C@@H]1CCCOC1
342080792	ZINC000625325316	mid	1.35	-10.1	0	292.445	1.064	1	4	9	CCN(CC)CCS(=O)(=O)NCC[C@@H]1CCCOC1
365619638	ZINC000617366264	ref	2.18	-9.23	0	284.356	0.023	1	4	5	COC[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C1CCOCC1
365619639	ZINC000617365056	ref	1.9	-14.55	0	298.383	0.603	2	4	6	COC[C@@H](NC(=O)C[C@H]1CCCC(=O)N1)C1CCOCC1
365619642	ZINC000617365857	ref	2.37	-9.41	0	271.357	0.971	1	4	6	COC[C@@H](NC(=O)C[C@H]1CCOC1)C1CCOCC1
342080793	ZINC000625325646	ref	4.83	-47.11	1	292.305	1.861	2	2	7	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](C)c1cn[nH]c1
342080794	ZINC000625325646	mid	3.69	-13.24	0	292.305	1.861	2	3	7	CCCN(CC(F)(F)F)C(=O)CN[C@@H](C)c1cn[nH]c1
323004641	ZINC000531121275	low	4.88	-43.14	1	240.347	1.18	2	2	7	C=CCCCC(=O)NCC[N@@H+]1CCO[C@@H](C)C1
342080795	ZINC000625325535	ref	3.23	-9.25	0	261.387	1.378	1	3	7	CCOCCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
365619640	ZINC000336540402	ref	3.57	-9.98	0	282.409	2.418	1	4	2	Cc1nc(C(C)C)sc1C(=O)N1CC[C@@H](O)[C@H](C)C1
168364928	ZINC000368499648	high	6.19	-7.62	0	343.254	3.149	2	3	5	COc1c(Cl)cc(Cl)cc1CN[C@@H]1CCC(=O)N[C@@H]1C1CC1
365619643	ZINC000336540514	ref	5.45	-9.24	0	262.353	2.056	1	3	3	CC(C)n1cccc1C(=O)N1CC[C@](O)(C2CC2)C1
365619645	ZINC000336540190	ref	5.84	-10.71	0	274.364	2.285	0	3	1	C[C@H]1C[C@H](C(=O)N2CCCN(C)c3ccccc32)CO1
365619648	ZINC000336540018	ref	4.49	-10.72	0	298.427	2.138	2	3	3	C[C@@H]1CCC[C@H](NC(=O)N(C)CC2(O)CCOCC2)CC1
168364930	ZINC000368499646	ref	6.81	-56.61	1	343.254	3.149	2	2	5	COc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1
282123215	ZINC000338133673	high	0.39	-10.48	0	271.405	1.178	3	3	9	CCC(CC)(CO)CNC(=O)NCCN(C)C1CC1
365619650	ZINC000336540822	ref	9.43	-14.13	0	295.386	2.151	0	3	2	Cn1ccnc1[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1
365619652	ZINC000336540822	low	9.97	-38.14	1	295.386	2.151	0	2	2	Cn1cc[nH+]c1[C@@H]1CCN(C(=O)C2Cc3ccccc3C2)C1
199273122	ZINC000294964115	ref	7.54	-43.88	1	295.379	1.93	1	4	9	COC(=O)COC[C@H](C)[NH2+]C[C@H](C)Oc1cccc(C)c1
214187933	ZINC000293602808	ref	5.49	-41.16	1	365.434	0.526	3	6	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1
365619654	ZINC000336540034	ref	5.73	-10.39	0	281.396	2.222	0	3	1	O=C([C@H]1CCCOCC1)N1CCC[C@]2(CCCOC2)C1
365619658	ZINC000336540876	ref	3.23	-13.28	0	289.379	2.058	2	3	3	CN1CCc2ccc(NC(=O)N3CCC[C@H]3CCO)cc21
365619660	ZINC000336540701	ref	8.57	-35.0	1	250.386	2.118	1	1	3	CC(C)[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1
365619663	ZINC000336540701	mid	8.6	-35.53	1	250.386	2.118	1	1	3	CC(C)[C@@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1
282123219	ZINC000424373163	ref	7.61	-51.53	-1	322.409	1.792	2	7	8	CCC(CC)(CNc1nccc(N[C@H]2CCCOC2)n1)C(=O)[O-]
199273124	ZINC000294962915	ref	5.08	-12.07	0	270.296	1.056	1	6	4	CC(C)n1ncnc1CNC(=O)c1cc(C#N)ccn1
282123226	ZINC000424373163	mid	7.99	-48.41	0	322.409	1.792	2	6	8	CCC(CC)(CNc1nc(N[C@H]2CCCOC2)cc[nH+]1)C(=O)[O-]
168364934	ZINC000368499646	high	5.67	-7.46	0	343.254	3.149	2	3	5	COc1c(Cl)cc(Cl)cc1CN[C@H]1CCC(=O)N[C@@H]1C1CC1
282123230	ZINC000301435131	ref	3.47	-23.54	0	297.384	1.368	2	6	6	CCC(CC)(CNc1ncnc2n[nH]cc12)S(C)(=O)=O
259308598	ZINC000394148197	ref	8.65	-41.91	1	247.382	3.166	1	1	6	CC1(C)OCC[C@@H]1[NH2+]CCCCc1ccccc1
398245810	ZINC000349564580	ref	4.59	-7.97	0	241.375	2.48	2	2	7	CCCC1(C(=O)NCC(C)(C)C[C@@H](C)O)CC1
282123220	ZINC000151685562	ref	5.17	-9.46	0	323.458	2.383	2	4	7	Cc1ccc(SCCC(=O)NCC2(CO)CCOCC2)cc1
365619644	ZINC000617365858	ref	2.42	-9.43	0	271.357	0.971	1	4	6	COC[C@H](NC(=O)C[C@H]1CCOC1)C1CCOCC1
365619647	ZINC000617365948	ref	3.94	-9.31	0	271.357	0.969	1	4	7	COC[C@H](NC(=O)[C@@H](OC)C1CC1)C1CCOCC1
365619649	ZINC000617364884	ref	1.68	-9.97	0	275.345	0.206	1	5	8	COC[C@H](OC)C(=O)N[C@@H](COC)C1CCOCC1
365619653	ZINC000617366949	ref	3.85	-39.68	1	270.373	0.496	2	3	5	COC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCOCC1
342597010	ZINC000590786154	mid	10.68	-95.29	2	295.471	1.907	2	1	7	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)CC2CC2)CC1
365619656	ZINC000617366949	mid	3.87	-37.9	1	270.373	0.496	2	3	5	COC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCOCC1
365619659	ZINC000617366416	ref	2.4	-7.51	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@H]1CO[C@H](C)C1)C1CCOCC1
342597011	ZINC000590786154	mid	8.5	-36.75	1	295.471	1.907	1	2	7	CC(C)[N@H+](C)CC1CCN(CC(=O)N(C)CC2CC2)CC1
178304323	ZINC000237247418	high	4.11	-17.1	0	357.451	1.048	1	4	6	CN(CCCC(=O)N1CCCNCC1)S(=O)(=O)c1ccc(F)cc1
168364929	ZINC000045137902	high	1.46	-36.61	1	142.246	0.722	2	1	3	C[C@@H]([NH3+])CN[C@@H]1CC1(C)C
342597012	ZINC000590786154	mid	8.5	-38.07	1	295.471	1.907	1	2	7	CC(C)[N@@H+](C)CC1CCN(CC(=O)N(C)CC2CC2)CC1
342597013	ZINC000616980449	ref	4.8	-18.45	0	278.418	1.305	0	3	8	CC[C@H](C)N(CC)C(=O)CS(=O)(=O)N(CC)CC
342597014	ZINC000590787562	ref	8.06	-37.64	1	276.384	1.253	1	3	5	CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]1C1CC1
342597015	ZINC000590787562	mid	7.76	-35.72	1	276.384	1.253	1	3	5	CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@H]1C1CC1
342597016	ZINC000590787562	high	5.69	-12.7	0	276.384	1.253	0	4	5	CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@H]1C1CC1
342597017	ZINC000616976931	ref	6.07	-9.53	0	253.35	1.689	0	5	4	CC[C@@H](C)N(CC)C(=O)c1nnn(C(C)(C)C)n1
398245814	ZINC000349439614	ref	2.08	-8.19	0	228.336	1.493	3	2	5	CC(C)[C@@H](CO)CNC(=O)NC1CCCC1
342597018	ZINC000616976856	ref	7.11	-17.34	0	264.373	1.804	0	4	5	CC[C@H](C)N(CC)C(=O)Cn1nnc2c1CCCC2
342597019	ZINC000590786504	ref	6.34	-40.04	1	294.447	1.806	1	5	6	CC(C)n1nnnc1CN1CCC(C[N@H+](C)C(C)C)CC1
168364933	ZINC000095918459	ref	1.0	-40.59	1	193.115	1.505	1	1	3	C[C@@H]([NH3+])COC(F)(F)C(F)(F)F
259308601	ZINC000250201780	ref	1.96	-11.58	0	249.314	1.53	2	4	6	C[C@@H](c1ccco1)[N@H+](C)C[C@@H](O)Cn1cccn1
342597020	ZINC000590786504	mid	6.36	-42.27	1	294.447	1.806	1	5	6	CC(C)n1nnnc1CN1CCC(C[N@@H+](C)C(C)C)CC1
398245819	ZINC000349543792	ref	3.88	-7.77	0	227.348	2.234	2	2	8	CCCC1(C(=O)NCCC[C@H](O)CC)CC1
398245815	ZINC000651438498	ref	8.27	-52.04	1	274.314	3.445	1	1	3	Cc1ccncc1C[NH2+][C@H]1CCc2c(F)cc(F)cc21
342597021	ZINC000590786504	low	8.51	-112.23	2	294.447	1.806	2	4	6	CC(C)n1nnnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
365619662	ZINC000617364961	ref	1.62	-7.97	0	294.355	0.369	2	6	5	COC[C@H](NC(=O)c1cnc(C)nc1N)C1CCOCC1
342597022	ZINC000590786504	low	8.52	-111.83	2	294.447	1.806	2	4	6	CC(C)n1nnnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597023	ZINC000590786526	ref	7.97	-91.63	2	281.444	1.729	3	1	7	C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
219048213	ZINC000286547651	ref	7.11	-9.48	0	319.365	2.926	0	7	5	CCc1ncnc(N(C)Cc2nc(-c3cccs3)no2)c1F
214187938	ZINC000293610512	ref	8.26	-17.94	0	350.448	0.394	0	8	4	Cc1nc(N2CCN(C(=O)CCn3ncn(C)c3=O)CC2)sc1C
342597024	ZINC000590786526	mid	7.98	-93.05	2	281.444	1.729	3	1	7	C=CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1
323004642	ZINC000531121275	low	4.92	-43.57	1	240.347	1.18	2	2	7	C=CCCCC(=O)NCC[N@H+]1CCO[C@@H](C)C1
197595005	ZINC000290100159	ref	6.3	-41.51	1	290.407	3.191	2	2	4	CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1OC(C)(C)C
342597025	ZINC000590786526	high	5.89	-37.02	1	281.444	1.729	2	2	7	C=CCNC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1
342597026	ZINC000590786526	high	5.85	-38.13	1	281.444	1.729	2	2	7	C=CCNC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1
197595010	ZINC000290098073	ref	1.57	-18.89	0	295.36	0.961	1	4	2	CC1(O)CN(S(=O)(=O)c2ccc3c(c2)C(=O)CCC3)C1
342597027	ZINC000590785380	ref	4.46	-9.4	0	295.289	1.965	2	3	3	Cc1cc(C#N)cc(NC(=O)C(=O)NC(C)(C)C(F)F)c1
342597028	ZINC000590788521	ref	6.36	-40.44	1	276.384	1.85	2	3	4	Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]1C1CC1
342597029	ZINC000590788521	mid	6.82	-41.01	1	276.384	1.85	2	3	4	Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H]1C1CC1
214187943	ZINC000293602089	ref	3.86	-11.92	0	353.806	0.524	1	4	4	CN(C)C(=O)CNC(=O)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1
214187947	ZINC000293612924	ref	0.85	-20.77	0	352.416	0.946	0	6	3	Cc1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c2c(C)noc2n1
365619665	ZINC000617365470	ref	1.75	-8.99	0	282.344	0.469	1	6	6	CCn1nncc1C(=O)N[C@@H](COC)C1CCOCC1
259308603	ZINC000250201780	mid	4.66	-40.55	1	249.314	1.53	2	4	6	C[C@@H](c1ccco1)[N@@H+](C)C[C@@H](O)Cn1cccn1
168364943	ZINC000036890374	ref	7.53	-6.04	0	235.327	3.321	1	3	6	CCC(CC)CNc1ccc(C(=O)OC)cc1
342597030	ZINC000590788521	mid	4.01	-12.21	0	276.384	1.85	1	4	4	Cc1nn(C)c(C)c1NC(=O)CN1CCC[C@@H]1C1CC1
219048214	ZINC000350695157	mid	7.09	-19.59	0	285.391	3.378	1	2	2	Cc1cc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c2n[nH]cc2c1
219048215	ZINC000350685090	ref	5.84	-12.98	0	273.327	3.077	1	3	5	Cc1c(NC(=O)C(C)(C)C(F)F)cnn1CC(C)C
219048216	ZINC000350685715	ref	8.36	-11.56	0	294.261	2.132	0	5	4	O=[N+]([O-])c1cnn(CCN2CCc3cc(F)c(F)cc32)c1
219048217	ZINC000350686222	ref	4.84	-11.11	0	292.285	2.227	1	3	5	COc1cc(F)cc(CNC(=O)Cc2ncccc2F)c1
282123223	ZINC000248979209	ref	3.26	-11.65	0	313.419	1.688	1	4	7	C[C@@H]1OCC[C@@H]1S(=O)(=O)N[C@H](C)COCc1ccccc1
219048219	ZINC000350686099	ref	2.13	-12.19	0	282.299	3.403	2	4	2	Cc1ccc(O)c(NC(=O)c2ccc3nc(C)oc3c2)c1
219048221	ZINC000350685517	ref	6.57	-13.57	0	295.317	3.259	1	3	3	Cc1cc(NC(=O)Cc2ncccc2F)c2ncccc2c1
282123229	ZINC000248979826	ref	5.09	-44.7	1	304.39	1.92	3	3	6	CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1
219048226	ZINC000350695920	ref	7.08	-10.15	0	284.363	3.101	2	3	3	Cc1ccnn1-c1ccccc1NC(=O)N[C@@H]1CC[C@H]1C
219048228	ZINC000350683353	ref	4.87	-13.56	0	281.319	2.086	2	4	4	C[C@H](NC(=O)c1ccnn1-c1ccccc1)c1cn[nH]c1
219048230	ZINC000350684674	ref	8.05	-37.19	1	294.439	2.325	2	2	5	CO[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1
214187951	ZINC000293611951	ref	5.53	-20.01	0	350.419	0.886	1	6	5	CO[C@H]1CCCC[C@@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1
214187955	ZINC000293607900	ref	3.96	-19.6	0	372.425	0.877	2	4	5	CCN(C(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1)[C@@H]1CCNC1=O
219048232	ZINC000350684674	mid	7.41	-35.61	1	294.439	2.325	2	2	5	CO[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1
219048234	ZINC000350684674	high	5.16	-7.53	0	294.439	2.325	1	3	5	CO[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCCN1C1CC1
398245818	ZINC000651438498	mid	6.88	-7.03	0	274.314	3.445	1	2	3	Cc1ccncc1CN[C@H]1CCc2c(F)cc(F)cc21
219048237	ZINC000350686875	ref	5.95	-8.21	0	255.321	2.315	1	4	5	CN(CCCCO)c1cc(C#N)c2ccccc2n1
398245821	ZINC000651431339	ref	5.83	-9.27	0	288.366	3.219	1	3	3	C[C@@H](CO)C1CCN(c2ccc3ccc(F)cc3n2)CC1
219048239	ZINC000350686574	ref	7.09	-17.82	0	288.332	2.293	0	7	4	COc1cccc(OC)c1Sc1nccn2cnnc12
282123234	ZINC000248979826	mid	4.74	-49.29	1	304.39	1.92	3	3	6	CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1
219048242	ZINC000350684312	ref	8.43	-9.97	0	289.419	3.161	1	2	5	CC(C)(O)CC(=O)N1CCCC[C@@H]1CCc1ccccc1
214187954	ZINC000337632140	ref	5.44	-11.79	0	291.416	2.394	2	3	6	CCSc1ccc(CC(=O)N[C@@H]2C=C[C@@H](CO)C2)cc1
282123224	ZINC000182471482	ref	3.71	-45.63	1	296.375	-0.36	2	5	6	C[NH+](C)C[C@@H]1CN(C(=O)NCCCn2ccnn2)CCO1
282123232	ZINC000182471482	high	1.24	-15.56	0	296.375	-0.36	1	6	6	CN(C)C[C@@H]1CN(C(=O)NCCCn2ccnn2)CCO1
178304325	ZINC000237250661	ref	3.76	-56.89	1	359.43	1.87	2	6	8	COCCCOc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
214187958	ZINC000337628519	ref	2.31	-13.11	0	257.33	0.459	1	4	6	C[C@@H]1C[C@@H](C(=O)N(C)CCOCCO)CCC1=O
185386272	ZINC000096752200	ref	5.02	-11.8	0	301.371	2.24	2	4	6	C=CCNC(=O)c1csc(NC(=O)Cc2ccccc2)n1
214187963	ZINC000337631368	ref	7.7	-9.79	0	283.375	3.461	2	2	5	O=C(N[C@H](CC1CCCC1)c1ccccc1)c1cn[nH]c1
398245823	ZINC000649443987	ref	8.16	-47.65	1	239.322	2.557	1	2	2	Cc1cc(C2=CC[NH2+]CC2)ccc1-n1cccn1
343994150	ZINC000625559245	ref	2.73	-8.05	0	232.349	1.127	1	2	6	C/C=C\CNS(=O)(=O)N(C)[C@@H](C)C1CC1
398245827	ZINC000649443959	ref	6.32	-5.47	0	231.32	3.48	0	3	1	CC1(C)COc2ccc(-c3nccs3)cc21
178304328	ZINC000237252195	ref	4.8	-47.54	1	365.499	1.507	2	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1
343994152	ZINC000625559346	ref	2.98	-10.16	0	229.305	0.757	1	4	5	C/C=C\CNS(=O)(=O)c1cncn1CC
398245832	ZINC000649444111	ref	0.81	-8.13	0	217.15	2.392	1	3	1	Cc1coc(-c2cc(C(F)(F)F)[nH]n2)n1
214187968	ZINC000337629441	ref	1.92	-12.56	0	286.328	-0.269	2	5	3	COC(=O)[C@@H](O)C1CCN(C(=O)N[C@@H]2CCOC2)CC1
214187972	ZINC000337632257	ref	2.18	-21.7	0	288.267	-0.419	2	7	5	COC(=O)Cn1cc(CNC(=O)c2ccc(C#N)[nH]2)nn1
214187978	ZINC000337628956	ref	3.05	-10.26	0	261.331	3.005	1	5	2	O=C(Nc1ccc2scnc2c1)c1cncs1
214187984	ZINC000337631952	ref	2.53	-11.25	0	257.334	0.284	1	3	4	CO[C@H](C)CCNC(=O)N1CC(=O)N(C)[C@H](C)C1
214187988	ZINC000337630477	ref	2.93	-14.73	0	264.391	0.778	2	4	9	CCN(CCOCCO)C(=O)N[C@@H](C)CSC
214187994	ZINC000337629850	ref	6.58	-12.25	0	289.179	3.1	2	2	4	O=C(CCCC(F)(F)F)Nc1nc(C(F)(F)F)c[nH]1
214187997	ZINC000337629850	mid	6.5	-11.51	0	289.179	3.1	2	2	4	O=C(CCCC(F)(F)F)Nc1ncc(C(F)(F)F)[nH]1
214188000	ZINC000337631145	ref	2.62	-10.72	0	288.269	2.157	2	3	5	C/C=C\C[C@H](CO)NC(=O)c1ccncc1C(F)(F)F
214188011	ZINC000337628182	ref	6.41	-11.9	0	295.427	2.076	1	2	2	CNC(=O)N1CCN(C(=O)CC2CCC(C)(C)CC2)CC1
214188015	ZINC000337631675	ref	7.1	-6.61	0	278.327	2.252	0	3	4	O=C(c1ccc(F)cn1)N1CCC[C@@H](OCC2CC2)C1
136229342	ZINC000293327172	mid	6.92	-38.45	1	239.746	2.274	2	1	6	C=C(Cl)C[N@@H+](C)C[C@@H](O)Cc1ccccc1
365619664	ZINC000336540701	high	6.07	-8.19	0	250.386	2.118	0	2	3	CC(C)[C@@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1
185089382	ZINC000096076202	ref	7.79	-40.78	1	291.395	1.21	1	3	1	Cn1cccc1C(=O)N1CCC[C@]2(COCC[N@H+](C)C2)C1
282123227	ZINC000449154704	ref	5.14	-38.65	1	282.428	2.084	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@H]21
365619668	ZINC000336540877	ref	3.17	-12.93	0	289.379	2.058	2	3	3	CN1CCc2ccc(NC(=O)N3CCC[C@@H]3CCO)cc21
343994151	ZINC000139327600	ref	3.09	-5.85	0	182.267	1.097	1	2	2	CC[C@@H]1NCC(=O)N1C1CCCC1
365619669	ZINC000336540760	ref	4.59	-21.14	0	271.407	2.04	0	3	1	Cc1ccc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)s1
365619670	ZINC000336540872	ref	6.57	-46.96	1	290.432	2.133	2	2	3	O=C(NCC1CC[NH2+]CC1)[C@@H]1SCCc2ccccc21
365619673	ZINC000336540857	ref	2.16	-6.45	0	266.341	2.391	1	4	3	CN(Cc1nc2ccc(F)cc2s1)C1CC(O)C1
178304331	ZINC000237264770	ref	5.52	-40.16	1	359.47	1.553	2	3	6	COCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
365619676	ZINC000336540857	mid	4.49	-39.27	1	266.341	2.391	2	3	3	C[N@H+](Cc1nc2ccc(F)cc2s1)C1CC(O)C1
214187960	ZINC000293603793	ref	5.07	-16.7	0	359.382	0.834	1	5	4	CCOC1CN(C(=O)C(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)C1
365619679	ZINC000336540857	mid	4.73	-37.71	1	266.341	2.391	2	3	3	C[N@@H+](Cc1nc2ccc(F)cc2s1)C1CC(O)C1
365619681	ZINC000336540602	ref	5.19	-14.53	0	297.717	2.148	2	3	2	N#Cc1ccc(NC(=O)N2C[C@@H](F)C[C@H]2CO)cc1Cl
365619684	ZINC000336540089	ref	4.37	-10.51	0	290.363	2.251	2	3	3	CC(=O)Nc1cccc(C(=O)N[C@@]2(C)CCO[C@H]2C)c1C
365619686	ZINC000336540559	ref	8.71	-38.58	1	250.386	2.119	1	1	2	CN(C(=O)[C@H]1CC12CCCC2)[C@@H]1CCC[N@H+](C)C1
365619688	ZINC000336540559	mid	8.99	-43.37	1	250.386	2.119	1	1	2	CN(C(=O)[C@H]1CC12CCCC2)[C@@H]1CCC[N@@H+](C)C1
365619691	ZINC000336540559	high	6.34	-7.92	0	250.386	2.119	0	2	2	CN1CCC[C@@H](N(C)C(=O)[C@H]2CC23CCCC3)C1
365619694	ZINC000336540482	ref	6.71	-13.43	0	285.453	2.43	0	2	2	CC1CCC(CC(=O)N2CC[S@](=O)C[C@H](C)C2)CC1
349535415	ZINC000621243453	ref	4.46	-10.71	0	291.326	2.008	1	5	4	OC[C@H]1CCCN(c2noc(Cc3ccc(F)cc3)n2)C1
349535416	ZINC000621243748	ref	6.07	-11.81	0	286.379	2.283	2	3	6	Cc1nc(C)c(C(=O)NCCCN(C)c2ccccc2)[nH]1
365619696	ZINC000336540829	ref	5.85	-12.82	0	271.426	2.184	0	2	3	CCCC1(C(=O)N2CC[S@@](=O)C[C@@H](C)C2)CCC1
365619671	ZINC000617365275	ref	2.41	-8.42	0	269.341	0.437	1	4	5	COC[C@H](NC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCOCC1
365619674	ZINC000617365947	ref	4.09	-8.83	0	271.357	0.969	1	4	7	COC[C@H](NC(=O)[C@H](OC)C1CC1)C1CCOCC1
365619677	ZINC000617366399	ref	3.7	-9.81	0	267.329	0.591	1	5	5	COC[C@@H](NC(=O)c1cncn1C)C1CCOCC1
365619680	ZINC000617364888	ref	3.53	-13.14	0	295.383	0.829	1	5	6	COC[C@H](NC(=O)Cc1cnn(C)c1C)C1CCOCC1
178304334	ZINC000237262028	ref	6.69	-50.21	1	361.421	1.985	2	5	7	COCC[NH2+]CC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F
178304337	ZINC000237262028	mid	5.35	-20.85	0	361.421	1.985	2	6	7	COCCNCC(=O)Nc1cc(-c2nnc3n2CCCCC3)ccc1F
365619683	ZINC000617366959	ref	5.16	-11.41	0	295.383	0.91	1	5	7	COC[C@@H](NC(=O)CCc1cncn1C)C1CCOCC1
365619685	ZINC000617366959	low	5.67	-38.23	1	295.383	0.91	1	4	7	COC[C@@H](NC(=O)CCc1c[nH+]cn1C)C1CCOCC1
365619689	ZINC000617365126	ref	4.31	-14.85	0	267.329	0.441	1	5	6	COC[C@@H](NC(=O)Cn1ccnc1)C1CCOCC1
178304340	ZINC000237260824	ref	5.5	-61.04	1	353.85	1.664	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@H](C)C[NH3+]
178304342	ZINC000237248407	ref	1.65	-48.09	1	354.35	1.783	2	4	6	C[NH2+]C[C@@H](C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC
365619693	ZINC000617365126	low	4.82	-37.65	1	267.329	0.441	1	4	6	COC[C@@H](NC(=O)Cn1cc[nH+]c1)C1CCOCC1
365619695	ZINC000617366553	ref	3.67	-10.36	0	295.383	0.91	1	5	7	COC[C@H](NC(=O)CCc1ccnn1C)C1CCOCC1
365619699	ZINC000617366492	ref	1.09	-14.9	0	284.356	0.213	2	4	5	COC[C@@H](NC(=O)[C@H]1CCCC(=O)N1)C1CCOCC1
349535417	ZINC000621495084	ref	7.57	-10.45	0	296.317	3.124	1	2	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC=C(c2ccco2)C1
178304345	ZINC000237252547	ref	4.18	-52.81	1	365.861	1.675	2	3	6	COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
365619701	ZINC000617366260	ref	2.34	-9.82	0	284.356	0.023	1	4	5	COC[C@H](NC(=O)[C@H]1CCN(C)C1=O)C1CCOCC1
365619705	ZINC000617364883	ref	1.85	-9.91	0	275.345	0.206	1	5	8	COC[C@@H](OC)C(=O)N[C@@H](COC)C1CCOCC1
365619707	ZINC000617366951	ref	3.86	-38.78	1	270.373	0.496	2	3	5	COC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCOCC1
365619710	ZINC000617366951	mid	3.85	-39.48	1	270.373	0.496	2	3	5	COC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCOCC1
365619711	ZINC000617364945	ref	3.3	-15.68	0	281.356	0.749	1	5	6	COC[C@H](NC(=O)Cn1ccc(C)n1)C1CCOCC1
365619716	ZINC000617366666	ref	2.82	-13.45	0	281.356	0.52	1	5	6	COC[C@H](NC(=O)Cc1ccnn1C)C1CCOCC1
342080796	ZINC000625325749	ref	3.25	-48.66	1	259.3	1.478	2	3	5	Cn1cc([C@H](CO)[NH2+]C[C@H]2CCC(F)(F)C2)cn1
219048220	ZINC000286548400	ref	0.18	-36.53	-1	312.222	1.617	2	3	5	C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(Cl)nc1Cl
342080797	ZINC000625325749	high	2.0	-8.51	0	259.3	1.478	2	4	5	Cn1cc([C@H](CO)NC[C@H]2CCC(F)(F)C2)cn1
342080798	ZINC000625325243	ref	3.14	-10.59	0	263.403	1.913	1	3	8	CCCCCS(=O)(=O)NCC[C@@H]1CCCOC1
219048222	ZINC000286548400	mid	0.34	-8.7	0	312.222	1.617	1	4	5	C[C@@H](CN(C)C)NS(=O)(=O)c1ccc(Cl)nc1Cl
214187964	ZINC000293613259	ref	2.51	-17.82	0	362.386	0.423	2	5	3	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCN(C(C)C)C(=O)C2)c1
219048223	ZINC000286548400	high	0.18	-36.53	-1	312.222	1.617	0	4	5	C[C@@H](CN(C)C)[N-]S(=O)(=O)c1ccc(Cl)nc1Cl
365619678	ZINC000172802826	ref	7.71	-14.38	0	278.381	1.896	1	5	6	C[C@H](CNC(=O)[C@H](C)n1cncn1)Cc1cccs1
349535418	ZINC000621243608	ref	5.09	-13.0	0	273.34	2.047	3	4	3	C[C@H]1CCCC[C@H]1Nc1ncnc2[nH]cc(C(N)=O)c12
342080799	ZINC000625325521	ref	4.15	-10.71	0	275.414	1.767	1	3	7	CC[C@H](CS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)OC
342080800	ZINC000625325248	ref	1.42	-12.05	0	279.402	1.005	1	4	8	COC[C@@H](C)CS(=O)(=O)NCC[C@@H]1CCCOC1
342080801	ZINC000625325271	ref	1.55	-10.5	0	279.402	1.147	1	4	8	CC(C)OCCS(=O)(=O)NCC[C@H]1CCCOC1
168364936	ZINC000368499122	ref	8.34	-58.8	1	328.387	3.233	2	2	5	O=C1CC[C@H]([NH2+]Cc2ccc(-c3ccc(F)cc3)o2)[C@@H](C2CC2)N1
214187969	ZINC000293609479	ref	2.56	-77.0	0	356.426	0.909	3	3	2	C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)C2)C1
342080802	ZINC000625325249	ref	1.4	-12.2	0	279.402	1.005	1	4	8	COC[C@H](C)CS(=O)(=O)NCC[C@H]1CCCOC1
342080803	ZINC000625325320	ref	2.81	-41.3	1	263.341	1.488	0	5	3	COc1cncc(CN2CCOCC3(CCC3)C2)n1
342080804	ZINC000625325320	mid	3.9	-38.96	1	263.341	1.488	1	4	3	COc1cncc(C[N@@H+]2CCOCC3(CCC3)C2)n1
342080805	ZINC000625325320	mid	3.9	-38.96	1	263.341	1.488	1	4	3	COc1cncc(C[N@H+]2CCOCC3(CCC3)C2)n1
349535419	ZINC000621243608	low	5.48	-33.16	1	273.34	2.047	3	3	3	C[C@H]1CCCC[C@H]1Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
185089383	ZINC000096076202	mid	6.8	-42.76	1	291.395	1.21	1	3	1	Cn1cccc1C(=O)N1CCC[C@]2(COCC[N@@H+](C)C2)C1
219048225	ZINC000286545936	ref	3.94	-23.48	0	320.418	1.256	1	4	3	CCc1[nH]ccc1C(=O)N1CC[S@@](=O)C[C@H]1c1cnn(C)c1
342080806	ZINC000625325483	ref	3.66	-9.26	0	275.414	1.935	1	3	10	C=CC(C)(C)CCNS(=O)(=O)CCOCC1CC1
342597031	ZINC000590786167	ref	5.71	-86.92	2	255.406	1.303	3	1	6	CC[C@H](C(N)=O)[NH+]1CCC(C[N@H+](C)C(C)C)CC1
365619682	ZINC000172797580	ref	5.88	-6.17	0	281.327	1.984	1	4	5	CCOC(=O)CNC1(c2ccc(F)cc2)CCOCC1
365619687	ZINC000565247210	ref	1.37	-53.87	1	299.421	1.416	2	4	4	N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)s1
365619690	ZINC000565247210	high	1.01	-57.14	0	299.421	1.416	1	4	4	N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]([NH3+])C2)s1
342597032	ZINC000590786167	mid	5.72	-86.38	2	255.406	1.303	3	1	6	CC[C@H](C(N)=O)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
365619692	ZINC000172802819	ref	7.71	-14.18	0	278.381	1.896	1	5	6	C[C@H](CNC(=O)[C@@H](C)n1cncn1)Cc1cccs1
349535420	ZINC000621495945	ref	7.65	-9.6	0	277.412	3.361	2	2	2	Cc1nc(C)c(C(=O)N[C@H]2CCCC[C@H]2C(C)(C)C)[nH]1
365619697	ZINC000567751250	ref	8.37	-40.83	-1	297.428	1.499	1	5	4	CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1n[n-]c(=N)n1C
259308605	ZINC000250201780	high	1.96	-11.58	0	249.314	1.53	1	5	6	C[C@@H](c1ccco1)N(C)C[C@@H](O)Cn1cccn1
214187971	ZINC000293609479	mid	4.2	-49.78	1	356.426	0.909	3	3	2	C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)NC4=O)cc3)C2)C1
323004694	ZINC000449667563	ref	7.54	-37.23	1	237.387	3.114	1	1	5	CC[C@@H]1C[C@@H](C[NH2+]C2(C3(C)CC3)CC2)CCO1
185089384	ZINC000096076202	high	5.87	-7.99	0	291.395	1.21	0	4	1	CN1CCOC[C@]2(CCCN(C(=O)c3cccn3C)C2)C1
214187974	ZINC000293609479	high	2.56	-77.39	0	356.426	0.909	2	3	2	C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
365619700	ZINC000567751250	low	8.36	-11.75	0	297.428	1.499	1	4	4	CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1n[n-]c(=[NH2+])n1C
214187976	ZINC000293609479	high	2.56	-77.0	0	356.426	0.909	2	3	2	C[N@H+]1CC[C@]2(CCN(C(=O)c3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)C2)C1
214187979	ZINC000293602657	ref	3.58	-19.55	0	352.416	0.474	1	6	5	CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cc(C)c2nccn2c1
214187983	ZINC000293602657	mid	4.08	-41.95	1	352.416	0.474	1	5	5	CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1
214187987	ZINC000293606943	ref	4.37	-56.11	1	374.441	0.699	4	5	6	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](CO)C[NH+]3CCCCC3)ccc21
214187993	ZINC000293606943	high	1.97	-16.06	0	374.441	0.699	3	6	6	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N[C@@H](CO)CN3CCCCC3)ccc21
214187998	ZINC000293610891	ref	3.58	-15.8	0	358.192	0.334	1	5	3	CCOC1CN(C(=O)C(=O)Nc2cc(Br)cn(C)c2=O)C1
214188003	ZINC000293602570	ref	5.23	-12.46	0	374.397	0.903	2	7	7	CCOc1cccc(CCNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)c1
282123228	ZINC000151686512	ref	4.73	-11.45	0	312.454	2.252	2	3	9	COCCC1(CNC(=O)CCCNC(=O)C(C)(C)C)CCC1
219048227	ZINC000286547867	ref	5.82	-15.66	0	323.422	1.066	1	5	4	CN(C[C@H]1CCCN(c2ncnc3[nH]ccc23)C1)S(C)(=O)=O
365619698	ZINC000336540977	ref	5.18	-9.18	0	282.409	2.484	0	3	4	Cc1ccncc1CN(C)S(=O)(=O)C1CCCCC1
365619702	ZINC000336540599	ref	5.19	-18.02	0	297.717	2.148	2	3	2	N#Cc1ccc(NC(=O)N2C[C@H](F)C[C@H]2CO)cc1Cl
365619704	ZINC000336540741	ref	4.17	-10.32	0	294.301	2.4	2	2	2	O=C(c1cccc2cc[nH]c12)N1CCC(O)(C(F)F)CC1
365619709	ZINC000336540560	ref	8.76	-38.62	1	250.386	2.119	1	1	2	CN(C(=O)[C@@H]1CC12CCCC2)[C@@H]1CCC[N@H+](C)C1
342597033	ZINC000590786167	high	3.88	-33.04	1	255.406	1.303	2	2	6	CC[C@H](C(N)=O)N1CCC(C[N@H+](C)C(C)C)CC1
214187977	ZINC000053526919	low	6.6	-53.34	1	330.432	1.163	3	2	6	CC(=O)NCCNC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1
342597034	ZINC000590786167	high	3.88	-33.03	1	255.406	1.303	2	2	6	CC[C@H](C(N)=O)N1CCC(C[N@@H+](C)C(C)C)CC1
219048229	ZINC000286547867	mid	6.29	-36.47	1	323.422	1.066	1	4	4	CN(C[C@H]1CCCN(c2[nH+]cnc3[nH]ccc23)C1)S(C)(=O)=O
214187981	ZINC000053524349	ref	6.65	-22.07	0	347.338	1.865	2	7	4	O=C(Cn1c(=O)cnc2ccccc21)Nc1n[nH]c(-c2ccccn2)n1
214187985	ZINC000053524349	mid	6.65	-20.04	0	347.338	1.865	2	7	4	O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccccn2)n[nH]1
214187990	ZINC000053524349	high	6.57	-61.09	-1	347.338	1.865	1	7	4	O=C(Cn1c(=O)cnc2ccccc21)Nc1nnc(-c2ccccn2)[n-]1
282123233	ZINC000151688191	ref	8.03	-18.44	0	323.397	2.402	1	5	7	CCC[C@@H](C)[C@@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1
342597035	ZINC000590786168	ref	5.7	-86.79	2	255.406	1.303	3	1	6	CC[C@@H](C(N)=O)[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597036	ZINC000590786168	mid	5.73	-87.13	2	255.406	1.303	3	1	6	CC[C@@H](C(N)=O)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597037	ZINC000590786168	high	3.96	-32.97	1	255.406	1.303	2	2	6	CC[C@@H](C(N)=O)N1CCC(C[N@H+](C)C(C)C)CC1
219048233	ZINC000286547994	ref	5.48	-18.5	0	302.374	1.338	1	3	3	CN(C(=O)CN1C(=O)CCc2ccccc21)[C@@H]1CCC[C@H]1O
219048236	ZINC000286546775	ref	6.64	-14.37	0	301.745	2.798	1	3	5	COC(=O)C(C)(C)CCNC(=O)c1cccc(Cl)c1F
365619712	ZINC000336540560	mid	9.25	-42.9	1	250.386	2.119	1	1	2	CN(C(=O)[C@@H]1CC12CCCC2)[C@@H]1CCC[N@@H+](C)C1
342597038	ZINC000590786168	high	3.95	-33.07	1	255.406	1.303	2	2	6	CC[C@@H](C(N)=O)N1CCC(C[N@@H+](C)C(C)C)CC1
398245824	ZINC000651442465	ref	5.47	-11.81	0	294.395	3.29	0	5	5	CC(=O)C(C)(C)CCc1nc([C@@H]2CCOC(C)(C)C2)no1
214187991	ZINC000053524349	high	6.48	-61.97	-1	347.338	1.865	1	7	4	O=C(Cn1c(=O)cnc2ccccc21)Nc1nc(-c2ccccn2)n[n-]1
190494123	ZINC000269431222	ref	5.46	-9.27	0	259.309	2.123	0	5	6	COCCC1(c2nc(Cc3ccccn3)no2)CC1
398245828	ZINC000651441067	ref	6.78	-10.04	0	293.75	3.337	0	3	3	COC[C@H]1CCCN1C(=O)c1c(Cl)oc2ccccc12
342080807	ZINC000625325583	ref	3.98	-9.1	0	275.414	1.767	1	3	7	CC(C)OCCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080808	ZINC000625325307	ref	3.67	-9.0	0	290.429	1.369	1	3	8	CCN(CC1CC1)S(=O)(=O)NCC[C@@H]1CCCOC1
342080809	ZINC000625325221	ref	2.28	-9.85	0	293.342	1.57	2	4	7	CO[C@@H](C[NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1
168364937	ZINC000368499122	high	7.1	-9.14	0	328.387	3.233	2	3	5	O=C1CC[C@H](NCc2ccc(-c3ccc(F)cc3)o2)[C@@H](C2CC2)N1
259308608	ZINC000517230312	ref	2.41	-42.75	1	211.302	0.757	1	2	6	C[C@@H](C[NH2+]CC[C@@H](C)F)S(C)(=O)=O
214187995	ZINC000053524349	high	6.48	-62.0	-1	347.338	1.865	1	7	4	O=C(Cn1c(=O)cnc2ccccc21)Nc1n[n-]c(-c2ccccn2)n1
303960025	ZINC000563543630	ref	4.83	-16.88	0	322.43	1.767	0	4	4	C[C@@H](C(=O)N1CCC=C(c2ccccn2)C1)[C@@H](C)S(C)(=O)=O
342080810	ZINC000625325221	mid	2.28	-9.85	0	293.342	1.57	2	5	7	CO[C@@H](CN[C@@H](CO)c1cnn(C)c1)c1ccc(F)cc1
303960027	ZINC000563542302	ref	4.79	-16.02	0	322.409	2.0	2	4	8	CCC(CC)c1cc(CNC(=O)NCCN2CCCC2=O)on1
342080811	ZINC000625325251	ref	1.41	-12.34	0	279.402	1.005	1	4	8	COC[C@@H](C)CS(=O)(=O)NCC[C@H]1CCCOC1
342080812	ZINC000625325807	ref	2.92	-11.05	0	261.387	1.689	1	3	8	C=CCCCS(=O)(=O)NCC[C@@H]1CCCOC1
342080813	ZINC000625325242	ref	3.13	-10.83	0	263.403	1.913	1	3	8	CCCCCS(=O)(=O)NCC[C@H]1CCCOC1
342080814	ZINC000625325223	ref	1.91	-11.53	0	291.413	1.292	1	4	7	O=S(=O)(CC[C@H]1CCCO1)NCC[C@H]1CCCOC1
168366184	ZINC000062250718	low	2.14	-95.29	2	194.282	0.434	1	2	2	C[C@@H]([NH3+])[C@@H](C)N1CCn2cc[nH+]c2C1
342080815	ZINC000625325351	ref	5.31	-11.82	0	287.425	1.767	1	3	7	CO[C@H](CS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC1
342080816	ZINC000625325229	ref	1.93	-11.18	0	291.413	1.292	1	4	7	O=S(=O)(CC[C@@H]1CCCO1)NCC[C@@H]1CCCOC1
214188006	ZINC000053534273	ref	7.44	-51.85	1	327.247	2.771	1	3	5	Cc1cccc(=O)n1CC[NH2+]Cc1cc(Br)cs1
214188013	ZINC000053534273	high	6.07	-12.81	0	327.247	2.771	1	4	5	Cc1cccc(=O)n1CCNCc1cc(Br)cs1
290622820	ZINC000323798757	ref	3.17	-54.82	-1	340.401	0.84	1	5	4	CNC(=O)[C@]1(C)CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2C)C1
219048240	ZINC000286546184	ref	3.65	-9.46	0	308.382	0.334	1	5	4	CC[C@H]1CO[C@@H](C)CN1C(=O)C(=O)NCCn1cc(C)cn1
342080817	ZINC000625325369	ref	3.89	-9.42	0	287.425	1.909	1	3	4	CC1(C)C[C@H](S(=O)(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CO1
282123231	ZINC000449155800	ref	4.8	-38.79	1	282.771	2.278	2	2	5	CCC[NH2+][C@H](C)C(=O)N[C@@H]1COc2ccc(Cl)cc21
219048243	ZINC000286546428	ref	5.28	-14.14	0	322.405	2.065	1	4	7	COc1ccc(CCNC(=O)N(C)[C@H]2C[C@@H](OC)C2)cc1OC
219048245	ZINC000286546543	ref	6.28	-12.55	0	318.417	2.172	1	3	6	CC(=O)N1CC(C(=O)NC[C@@H](C)Oc2ccc(C(C)C)cc2)C1
219048247	ZINC000286546231	ref	5.24	-10.9	0	319.401	1.592	1	4	5	O=C(COCc1ccccc1)N1CCOC[C@@H]1[C@H]1CCC[C@H]1O
168366187	ZINC000029555420	ref	-6.72	-47.64	0	185.116	-1.809	4	4	3	C[C@@H]([NH3+])[C@@H](O)[C@H](O)[P@@](=O)([O-])O
342080818	ZINC000625325315	ref	1.34	-10.3	0	292.445	1.064	2	3	9	CC[NH+](CC)CCS(=O)(=O)NCC[C@H]1CCCOC1
343994154	ZINC000625559178	ref	7.82	-37.76	1	225.376	2.925	1	1	6	CCC[C@@H](C)CCC[N@@H+]1CCC2(COC2)C1
214188005	ZINC000278489656	ref	8.4	-12.42	0	300.341	2.128	2	6	4	C[C@H](Cc1ccccc1F)Nc1nc(N)c2cnn(C)c2n1
219048250	ZINC000286546301	ref	6.38	-8.89	0	304.39	2.468	1	3	2	Cc1ccc2c(c1)CN(C(=O)NC[C@H]1CCCCO1)CCO2
214188008	ZINC000278489656	low	8.77	-34.47	1	300.341	2.128	2	5	4	C[C@H](Cc1ccccc1F)Nc1nc2c(cnn2C)c(N)[nH+]1
219048252	ZINC000286548452	ref	5.54	-15.66	0	320.418	2.917	1	5	4	Cc1noc([C@H]2CCCN2C(=O)N[C@@H](C)Cc2cccs2)n1
214188010	ZINC000278490042	ref	8.11	-17.57	0	320.458	2.59	2	3	8	CC(=O)N[C@H](CC1CCC1)C(=O)NCCSc1ccccc1
214188016	ZINC000278490319	ref	3.71	-11.79	0	320.418	3.132	3	5	5	CNc1nc(CNC(=O)Nc2cc(C)c(OC)cc2C)cs1
214188020	ZINC000278490359	ref	5.18	-10.38	0	305.418	3.101	2	3	9	CCC[C@@H](CCO)CNC(=O)c1ccc(OC)c(C2CC2)c1
219048255	ZINC000286547632	ref	5.52	-39.97	1	302.422	1.893	2	3	4	CCNC(=O)c1ccc(N(C)C2C[C@@H]3CC[C@H](C2)[N@@H+]3C)nc1
342080819	ZINC000625325315	mid	1.34	-10.3	0	292.445	1.064	1	4	9	CCN(CC)CCS(=O)(=O)NCC[C@H]1CCCOC1
342080820	ZINC000625325732	ref	4.35	-10.1	0	287.425	1.911	1	3	6	O=S(=O)(CC[C@@H]1CCCO1)NC[C@@H]1CC[C@H]2C[C@H]2C1
219048256	ZINC000286547632	mid	5.83	-39.8	1	302.422	1.893	2	3	4	CCNC(=O)c1ccc(N(C)C2C[C@@H]3CC[C@H](C2)[N@H+]3C)nc1
342080821	ZINC000625325537	ref	3.24	-9.25	0	261.387	1.378	1	3	7	CCOCCS(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
365619703	ZINC000565246962	ref	2.03	-8.47	0	299.421	1.382	1	5	4	CCC[C@H]1CNCCN1S(=O)(=O)c1ccc(C#N)s1
365619706	ZINC000565246962	mid	3.36	-54.62	1	299.421	1.382	1	4	4	CCC[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C#N)s1
365619708	ZINC000172798570	ref	5.86	-11.52	0	290.407	1.681	1	3	4	Cc1ccc(C[C@@H](C)NC(=O)[C@H]2CN(C)CCO2)c(C)c1
299072297	ZINC000455249960	ref	2.51	-16.08	0	349.403	2.08	2	3	5	C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)N[C@@H](C)C(C)(F)F
365619713	ZINC000172798570	mid	8.13	-39.77	1	290.407	1.681	2	2	4	Cc1ccc(C[C@@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1
365619715	ZINC000172798570	mid	8.27	-49.78	1	290.407	1.681	2	2	4	Cc1ccc(C[C@@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1
365619718	ZINC000172793905	ref	8.33	-56.37	1	269.348	1.381	1	3	3	Cn1nc2c(cc1=O)C[N@@H+](CCc1ccccc1)CC2
282123235	ZINC000131666330	ref	6.28	-17.31	0	317.299	1.481	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1c(F)cc(C#N)cc1F)CC2
365619723	ZINC000172793905	mid	8.33	-56.39	1	269.348	1.381	1	3	3	Cn1nc2c(cc1=O)C[N@H+](CCc1ccccc1)CC2
365619724	ZINC000172793905	high	6.06	-9.14	0	269.348	1.381	0	4	3	Cn1nc2c(cc1=O)CN(CCc1ccccc1)CC2
365619728	ZINC000567751249	ref	8.4	-41.07	-1	297.428	1.499	1	5	4	CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[n-]c(=N)n1C
365619730	ZINC000567751249	low	8.36	-11.8	0	297.428	1.499	1	4	4	CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1n[n-]c(=[NH2+])n1C
342597039	ZINC000590787586	ref	7.39	-42.91	1	263.341	1.608	2	3	5	Cc1cc(NC(=O)CC[N@@H+]2CCC[C@@H]2C2CC2)no1
365619736	ZINC000258637047	ref	5.19	-43.18	1	261.369	1.8	3	2	4	CNc1cccc(C(=O)NC[C@H]2CCC[N@H+](C)C2)c1
365619740	ZINC000258637047	mid	5.62	-42.61	1	261.369	1.8	3	2	4	CNc1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1
365619744	ZINC000258637047	high	3.23	-8.27	0	261.369	1.8	2	3	4	CNc1cccc(C(=O)NC[C@H]2CCCN(C)C2)c1
342597040	ZINC000590787586	mid	7.86	-40.88	1	263.341	1.608	2	3	5	Cc1cc(NC(=O)CC[N@H+]2CCC[C@@H]2C2CC2)no1
349535421	ZINC000621242467	ref	2.69	-12.99	0	283.331	2.359	1	4	3	CCOc1cncc([C@H]2NC(=O)c3ccccc3N2C)c1
365619748	ZINC000567751248	ref	8.42	-41.07	-1	297.428	1.499	1	5	4	CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1n[n-]c(=N)n1C
365619751	ZINC000567751248	low	8.4	-11.85	0	297.428	1.499	1	4	4	CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1n[n-]c(=[NH2+])n1C
365619754	ZINC000172795056	ref	5.88	-17.75	0	299.33	1.907	1	4	3	Cc1cc(C(=O)N[C@@H]2C[C@H](C)N(c3ccccc3)C2=O)no1
365639357	ZINC000354712741	mid	5.89	-41.2	1	262.357	1.469	2	3	4	C[C@H]1CCCC[N@@H+]1[C@@H](C)CNC(=O)c1cncnc1
342080822	ZINC000625325282	ref	3.36	-10.12	0	263.403	1.911	1	3	7	CCC[C@@H](C)S(=O)(=O)NCC[C@@H]1CCCOC1
342080823	ZINC000625325900	ref	4.14	-10.67	0	275.414	1.767	1	3	7	CC[C@H](CS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1)OC
398245826	ZINC000349646819	ref	-1.92	-21.61	0	231.252	-1.889	2	5	6	COCCOCC(=O)N[C@H]1CN(C)NC1=O
342080824	ZINC000625325284	ref	3.19	-10.01	0	263.403	1.911	1	3	7	CCC[C@H](C)S(=O)(=O)NCC[C@@H]1CCCOC1
365619714	ZINC000336540560	high	6.37	-7.87	0	250.386	2.119	0	2	2	CN1CCC[C@@H](N(C)C(=O)[C@@H]2CC23CCCC3)C1
342080825	ZINC000625325502	ref	4.41	-7.77	0	260.403	1.599	1	2	6	CCCN(C)S(=O)(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080826	ZINC000625325225	ref	1.92	-11.35	0	291.413	1.292	1	4	7	O=S(=O)(CC[C@@H]1CCCO1)NCC[C@H]1CCCOC1
342080827	ZINC000625325283	ref	3.18	-10.2	0	263.403	1.911	1	3	7	CCC[C@H](C)S(=O)(=O)NCC[C@H]1CCCOC1
342080828	ZINC000625325748	ref	3.28	-48.93	1	259.3	1.478	2	3	5	Cn1cc([C@@H](CO)[NH2+]C[C@@H]2CCC(F)(F)C2)cn1
365619717	ZINC000336540492	ref	2.47	-14.6	0	272.439	2.103	0	4	2	Cc1nc(C)c(CN2CC[S@@](=O)CC[C@H]2C)s1
365619720	ZINC000336540492	low	4.78	-45.28	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@H+]2CC[S@@](=O)CC[C@H]2C)s1
282123236	ZINC000449154703	ref	5.79	-37.69	1	282.428	2.084	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12
282123239	ZINC000449155413	ref	7.63	-86.4	2	297.487	2.105	3	1	7	C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1
282123243	ZINC000449155413	mid	7.68	-86.37	2	297.487	2.105	3	1	7	C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1
365619722	ZINC000336540492	low	4.84	-51.85	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@@H+]2CC[S@@](=O)CC[C@H]2C)s1
365619725	ZINC000336540817	ref	9.07	-40.4	1	289.423	2.365	2	1	2	O=C(N[C@@H]1CCC12CCCC2)N1CC[C@@H]([NH+]2CC=CC2)C1
365619729	ZINC000336540817	high	6.51	-8.78	0	289.423	2.365	1	2	2	O=C(N[C@@H]1CCC12CCCC2)N1CC[C@@H](N2CC=CC2)C1
365619732	ZINC000336540852	ref	5.77	-10.79	0	283.318	2.156	1	2	3	Cc1cccc(CC(=O)N2CCC(O)(C(F)F)CC2)c1
349536194	ZINC000258933355	low	7.55	-50.1	1	236.265	2.748	1	1	4	N#CC1(C[NH2+]Cc2ccc(F)cc2F)CCC1
365619735	ZINC000336540980	ref	5.88	-8.76	0	281.396	2.219	0	3	2	CC(C)[C@@H]1OCC[C@H]1C(=O)N1CCOC2(CCCC2)C1
365619738	ZINC000336540848	ref	5.25	-8.04	0	275.339	2.287	1	2	3	CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(O)(C(F)F)CC1
342080829	ZINC000625325748	high	2.12	-9.31	0	259.3	1.478	2	4	5	Cn1cc([C@@H](CO)NC[C@@H]2CCC(F)(F)C2)cn1
342080830	ZINC000625325272	ref	1.56	-10.41	0	279.402	1.147	1	4	8	CC(C)OCCS(=O)(=O)NCC[C@@H]1CCCOC1
365619742	ZINC000336540700	ref	8.6	-35.4	1	250.386	2.118	1	1	3	CC(C)[C@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1
342597041	ZINC000590786115	ref	9.51	-97.56	2	281.444	1.661	2	1	6	CC(C)[N@H+](C)CC1CC[NH+](CCN2CCCC2=O)CC1
365619719	ZINC000617366950	ref	3.81	-38.94	1	270.373	0.496	2	3	5	COC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCOCC1
312713273	ZINC000176893675	ref	4.51	-6.99	0	283.397	2.252	1	5	6	CCCCO[C@@H]1C[C@H](NC(=O)c2cnns2)C1(C)C
365619721	ZINC000617366950	mid	3.8	-39.47	1	270.373	0.496	2	3	5	COC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCOCC1
365619727	ZINC000617364882	ref	1.62	-9.77	0	275.345	0.206	1	5	8	COC[C@H](OC)C(=O)N[C@H](COC)C1CCOCC1
342597042	ZINC000590786115	mid	9.49	-98.21	2	281.444	1.661	2	1	6	CC(C)[N@@H+](C)CC1CC[NH+](CCN2CCCC2=O)CC1
342597043	ZINC000590786115	high	7.15	-40.26	1	281.444	1.661	1	2	6	CC(C)[N@H+](C)CC1CCN(CCN2CCCC2=O)CC1
214188007	ZINC000293615168	ref	2.05	-11.29	0	363.414	0.926	3	5	5	CON(C)C(=O)c1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1
214188012	ZINC000293611224	ref	4.0	-18.68	0	350.444	0.73	0	5	4	CN(C)c1cc(C#N)cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1
214188014	ZINC000293613882	ref	3.56	-19.24	0	372.374	0.348	1	6	6	COC(=O)c1cc(S(=O)(=O)NCCN2C(=O)CCC2=O)c(C)cc1F
214188018	ZINC000293603713	ref	-0.56	-16.63	0	369.443	0.008	3	5	7	CNC(=O)[C@H](C)NC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1
342597044	ZINC000590786115	high	7.13	-40.9	1	281.444	1.661	1	2	6	CC(C)[N@@H+](C)CC1CCN(CCN2CCCC2=O)CC1
365619731	ZINC000617364918	ref	3.79	-10.67	0	295.383	0.91	1	5	7	COC[C@H](NC(=O)CCc1ccn(C)n1)C1CCOCC1
365619734	ZINC000617366265	ref	2.29	-10.82	0	284.356	0.023	1	4	5	COC[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C1CCOCC1
342597045	ZINC000590786627	ref	7.79	-94.52	2	269.433	1.565	3	1	7	CCCNC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597046	ZINC000590786627	mid	7.8	-92.54	2	269.433	1.565	3	1	7	CCCNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
214188022	ZINC000293611968	ref	5.53	-20.31	0	350.419	0.886	1	6	5	CO[C@@H]1CCCC[C@H]1C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1
214188028	ZINC000293615574	ref	3.1	-12.11	0	357.414	0.932	3	6	5	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccnn1Cc1ccccn1
214188032	ZINC000293615504	ref	4.19	-11.69	0	362.474	0.763	1	6	7	COCC1(CNC(=O)CN2CCN(c3ccccn3)CC2)CCOCC1
214188037	ZINC000293615504	low	6.73	-42.05	1	362.474	0.763	2	5	7	COCC1(CNC(=O)C[NH+]2CCN(c3ccccn3)CC2)CCOCC1
214188041	ZINC000293613068	ref	3.69	-14.76	0	366.849	0.281	0	5	4	O=C(Cc1cnccc1Cl)N1CCN(C(=O)CN2CCOCC2)CC1
178304359	ZINC000237259638	ref	5.42	-57.43	1	353.426	1.779	3	4	5	C[NH2+]Cc1cccc(NC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)c1
219048246	ZINC000350695235	ref	7.52	-8.5	0	275.392	3.34	0	2	4	COCc1ccccc1C(=O)N1CC(C)(C)[C@H]1C(C)C
219048248	ZINC000350684105	ref	9.09	-14.8	0	295.346	2.469	2	4	5	CCc1[nH]ccc1C(=O)Nc1ccccc1Cn1cncn1
178304363	ZINC000237259638	high	3.97	-18.16	0	353.426	1.779	3	5	5	CNCc1cccc(NC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)c1
178304365	ZINC000237244627	ref	5.74	-56.96	1	350.459	1.957	1	4	9	COc1cccc(CO[C@@H](C)C(=O)N2CCC(OCCC[NH3+])CC2)c1
219048249	ZINC000350695008	ref	8.49	-7.29	0	285.453	3.08	0	3	5	CCS[C@H]1CCCCN(C(=O)CC[C@@H]2CCCO2)C1
190494124	ZINC000269432205	ref	4.69	-11.13	0	253.317	2.41	2	2	3	C[C@@H](NC(=O)C(C)(C)C)[C@H](O)c1cccc(F)c1
306234466	ZINC000557849905	ref	3.4	-13.33	0	341.458	1.361	1	6	5	CCn1cncc1S(=O)(=O)N1C[C@@H](CO)[C@H](c2ccsc2)C1
398245830	ZINC000651433172	ref	5.49	-9.32	0	286.322	3.33	0	4	4	COC1CCC(c2nc(CC3CC(F)(F)C3)no2)CC1
178304368	ZINC000237245554	ref	7.72	-59.13	-1	361.373	1.942	0	6	4	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-n3nc(C)cc3C)c(F)c2)C1
178304371	ZINC000237258684	ref	5.1	-55.91	1	353.85	1.807	2	3	5	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NCC(C)(C)[NH3+]
178304373	ZINC000237264741	ref	5.5	-40.04	1	359.47	1.553	2	3	6	COCc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
178304376	ZINC000237260312	ref	7.64	-55.41	-1	351.428	1.857	1	6	7	Cc1sc2nc(CCC(=O)N(C)CCCC(=O)[O-])[nH]c(=O)c2c1C
199273123	ZINC000181263167	ref	11.23	-8.91	0	312.373	3.239	0	5	3	Cc1cccc(C2=CCN(c3c([N+](=O)[O-])c(C)nn3C)CC2)c1
178304377	ZINC000237258590	ref	6.92	-55.42	1	365.861	1.774	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+][C@@H](C)C1
178304380	ZINC000237258590	mid	5.67	-18.45	0	365.861	1.774	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCN[C@@H](C)C1
212168897	ZINC000335490788	ref	5.82	-7.0	0	278.739	2.256	2	2	2	Cc1cccc(Cl)c1NC(=O)C(=O)N[C@H]1CC12CC2
178304382	ZINC000237248388	ref	5.35	-60.18	1	361.486	1.577	2	3	8	COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178305486	ZINC000010382619	ref	8.12	-45.38	-1	218.256	2.299	0	4	2	Cc1cc2ncn([C@H](C)C(=O)[O-])c2cc1C
212168901	ZINC000335491522	ref	8.06	-13.72	0	275.274	2.225	0	3	2	Cn1cnc(C(=O)N2CCC[C@@H](CC(F)(F)F)C2)c1
185089391	ZINC000096075897	ref	4.93	-12.89	0	288.351	0.725	0	4	2	Cc1cnc(C(=O)N2CC[C@]3(C[C@H]3C(=O)N(C)C)C2)cn1
197595027	ZINC000290098500	ref	6.0	-6.99	0	259.353	2.926	1	4	7	COCCCCNc1cnn(C)c1-c1ccccc1
306234467	ZINC000557853847	ref	6.81	-45.64	1	337.42	1.945	1	3	3	C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
185089395	ZINC000096075805	ref	2.95	-52.39	1	265.382	1.824	2	3	3	O=C1CCC2(CCC([NH2+]Cc3nccs3)CC2)N1
214188017	ZINC000053529709	ref	6.58	-50.77	1	340.221	1.783	1	4	6	COC[C@@H](C)[NH2+]CCn1cnc2ccc(Br)cc2c1=O
346818850	ZINC000601317077	ref	6.52	-41.49	1	277.412	2.009	1	3	3	N#CCCN1CC[NH+](C2CCC3(CCCO3)CC2)CC1
197595031	ZINC000290100102	ref	6.99	-41.4	1	276.355	1.997	1	1	2	C[C@H](C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1
343994155	ZINC000139365983	ref	-3.57	-8.16	0	126.115	-0.039	2	3	1	NC(=O)c1ccoc1N
365619726	ZINC000625021340	ref	4.91	-19.27	0	314.389	2.47	2	4	4	CC(C)n1ncc2ccc(NC(=O)[C@H](C)[C@@H]3CCC(=O)N3)cc21
214188021	ZINC000053529709	high	5.36	-10.02	0	340.221	1.783	1	5	6	COC[C@@H](C)NCCn1cnc2ccc(Br)cc2c1=O
214188025	ZINC000053545698	ref	8.64	-17.19	0	336.351	2.354	1	6	3	Cc1nccn1-c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cn1
342080831	ZINC000625325747	ref	3.27	-49.04	1	259.3	1.478	2	3	5	Cn1cc([C@H](CO)[NH2+]C[C@@H]2CCC(F)(F)C2)cn1
214188029	ZINC000053545698	mid	9.11	-37.7	1	336.351	2.354	1	5	3	Cc1[nH+]ccn1-c1ccc(NC(=O)[C@H]2COc3ccccc3O2)cn1
282123237	ZINC000248979826	high	2.57	-11.7	0	304.39	1.92	2	4	6	CC(=O)c1ccc(NC(=O)CCN2CC[C@@H](C)[C@@H]2CO)cc1
282123241	ZINC000248977203	ref	4.15	-10.75	0	301.433	1.8	1	4	4	CSc1ccc(S(=O)(=O)N2CC[C@@H](C)[C@@H]2CO)cc1
214188033	ZINC000053538700	ref	10.42	-47.39	1	347.409	3.409	2	1	6	CN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C
282123245	ZINC000248977077	ref	2.59	-39.81	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1
342080832	ZINC000625325747	high	1.98	-9.04	0	259.3	1.478	2	4	5	Cn1cc([C@H](CO)NC[C@@H]2CCC(F)(F)C2)cn1
342080833	ZINC000625325240	ref	2.49	-12.12	0	267.366	1.472	1	3	8	O=S(=O)(CCCCF)NCC[C@H]1CCCOC1
342080834	ZINC000625325557	ref	2.3	-11.06	0	291.413	1.147	1	4	8	CO[C@H](CS(=O)(=O)NCC[C@@H]1CCCOC1)C1CC1
342080835	ZINC000625325558	ref	2.71	-11.28	0	291.413	1.147	1	4	8	CO[C@@H](CS(=O)(=O)NCC[C@H]1CCCOC1)C1CC1
342080836	ZINC000625325710	ref	6.48	-44.79	1	286.416	1.275	2	3	8	CCO[C@H](C(=O)N[C@H]1CCC[N@H+](CCOC)C1)C(C)C
214188019	ZINC000337628520	ref	2.5	-13.01	0	257.33	0.459	1	4	6	C[C@H]1C[C@@H](C(=O)N(C)CCOCCO)CCC1=O
282123238	ZINC000151691109	ref	5.65	-14.44	0	323.396	2.078	3	4	7	C[C@H](NC(=O)CNc1cccc(C#N)c1)[C@@H](O)Cc1ccccc1
365619733	ZINC000625023475	ref	2.93	-10.78	0	322.352	2.217	1	4	4	C[C@H]1CN(CCNC(=O)c2csc(C(F)(F)F)c2)CCO1
365619737	ZINC000625023475	low	5.17	-48.46	1	322.352	2.217	2	3	4	C[C@H]1C[N@H+](CCNC(=O)c2csc(C(F)(F)F)c2)CCO1
365619739	ZINC000625023475	low	5.21	-48.94	1	322.352	2.217	2	3	4	C[C@H]1C[N@@H+](CCNC(=O)c2csc(C(F)(F)F)c2)CCO1
365619743	ZINC000625020258	ref	6.15	-11.61	0	307.438	2.124	2	2	4	CNC(=O)CC1CCN(C(=O)NC[C@@H]2CCCC23CC3)CC1
398245833	ZINC000349632946	ref	2.98	-44.01	1	241.306	2.436	2	2	6	COCCC(C)(C)[NH2+]Cc1cc(O)cc(F)c1
365619755	ZINC000625021164	ref	6.26	-13.44	0	310.438	2.261	1	3	7	COCCOC[C@H]1CCN(C(=O)NC[C@H]2CCCC23CC3)C1
342080837	ZINC000625325710	mid	5.98	-44.03	1	286.416	1.275	2	3	8	CCO[C@H](C(=O)N[C@H]1CCC[N@@H+](CCOC)C1)C(C)C
398245840	ZINC000349632946	high	3.75	-54.17	0	241.306	2.436	1	2	6	COCCC(C)(C)[NH2+]Cc1cc([O-])cc(F)c1
398245845	ZINC000349647866	ref	0.18	-11.45	0	216.281	0.189	2	3	5	CN(CCCCO)C(=O)N[C@H]1CCOC1
398245849	ZINC000349647847	ref	-0.56	-10.19	0	214.265	-0.06	2	3	1	C[C@@H]1C[C@H](O)CN1C(=O)N[C@H]1CCOC1
398245852	ZINC000349647844	ref	-0.57	-10.05	0	214.265	-0.06	2	3	1	C[C@@H]1C[C@H](O)CN1C(=O)N[C@@H]1CCOC1
398249324	ZINC000651464613	ref	9.18	-8.61	0	283.375	3.426	1	4	4	Cc1cnc(NC[C@@H]2CC[C@@H](c3ccccc3)O2)nc1C
214188023	ZINC000337631064	ref	6.95	-11.25	0	286.297	3.409	1	2	5	C[C@@H](CCC1CC1)NC(=O)c1ccncc1C(F)(F)F
398249326	ZINC000651462455	ref	3.55	-8.72	0	259.353	3.1	1	4	5	CCc1ncc(CN[C@@H](C)c2ccc(C)nc2C)o1
398249327	ZINC000651462455	mid	4.55	-48.49	1	259.353	3.1	1	3	5	CCc1ncc(C[NH2+][C@@H](C)c2ccc(C)nc2C)o1
412491610	ZINC000542826576	ref	1.78	-14.02	0	324.385	0.099	3	6	9	COC[C@@H](CNC(=O)N(C)CCCc1[nH]nc(N)c1C#N)OC
412491612	ZINC000613753229	ref	1.4	-15.11	0	323.397	-0.247	1	7	7	COC[C@H](OC)C(=O)N1CC[C@H](N(C)Cc2nccc(N)n2)C1
214188026	ZINC000337628593	ref	5.49	-82.62	2	268.405	0.864	4	1	5	CC(C)[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1
214188030	ZINC000337628593	mid	2.3	-39.14	1	268.405	0.864	3	2	5	CC(C)[NH+]1CCC(NC(=O)NCCN2CCC2)CC1
214188035	ZINC000337632198	ref	7.09	-13.44	0	288.391	2.183	2	2	8	CCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CC1
214188039	ZINC000337628458	ref	6.7	-41.04	1	267.417	2.35	3	1	5	C[C@@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCCCC1
282123240	ZINC000351973495	ref	4.25	-39.06	1	256.346	0.202	1	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1
282123254	ZINC000351973495	high	1.7	-9.45	0	256.346	0.202	0	4	4	CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CCOC2)CCO1
343994156	ZINC000625559178	mid	7.86	-37.64	1	225.376	2.925	1	1	6	CCC[C@@H](C)CCC[N@H+]1CCC2(COC2)C1
197595039	ZINC000162828454	ref	5.5	-46.48	1	304.619	2.671	1	2	2	C[C@@H]1C[C@H](C[NH3+])CN1c1ncc(Cl)cc1Br
185089397	ZINC000096075805	high	1.74	-9.6	0	265.382	1.824	2	4	3	O=C1CCC2(CCC(NCc3nccs3)CC2)N1
282123263	ZINC000182168860	ref	5.07	-40.7	1	299.415	0.918	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CCCCO2)CCO1
214188024	ZINC000278489932	ref	4.88	-17.74	0	300.314	2.379	1	5	3	COc1cccc2c(NC(=O)C3=COCCO3)c(C)cnc12
219048251	ZINC000350689557	ref	5.94	-10.86	0	296.436	3.105	0	4	4	COCc1nc(C)c(C(=O)N2CC(C)(C)[C@@H]2C(C)C)s1
219048253	ZINC000350689305	ref	9.45	-13.03	0	297.402	3.379	0	3	3	CC(C)[C@H]1N(C(=O)c2ccnn2-c2ccccc2)CC1(C)C
214188027	ZINC000278490435	ref	4.19	-11.42	0	309.357	2.962	2	3	6	CC[C@@H](C)[C@H](NC(=O)NCCc1nccs1)C(F)(F)F
214188031	ZINC000278489161	ref	9.39	-43.95	1	322.474	2.493	1	3	9	COCCSCCC[N@H+](C)[C@H]1CCN(c2ccccc2)C1=O
214188034	ZINC000278489161	mid	9.38	-45.23	1	322.474	2.493	1	3	9	COCCSCCC[N@@H+](C)[C@H]1CCN(c2ccccc2)C1=O
282123278	ZINC000182168860	high	2.52	-10.56	0	299.415	0.918	1	4	5	CN(C)C[C@@H]1CN(C(=O)NCC[C@H]2CCCCO2)CCO1
282123287	ZINC000367994676	ref	6.81	-56.07	1	331.416	1.401	2	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)c2ccccc2O1
185089405	ZINC000096076135	ref	7.05	-8.98	0	299.353	1.865	0	5	3	Fc1cnccc1CN1CC[C@@]2(CCN2c2ncccn2)C1
214188036	ZINC000278489161	mid	6.82	-11.92	0	322.474	2.493	0	4	9	COCCSCCCN(C)[C@H]1CCN(c2ccccc2)C1=O
282123300	ZINC000367994676	high	4.39	-18.44	0	331.416	1.401	1	4	4	CN(C)C[C@@H]1CN(C(=O)C[C@H]2CCCC(=O)N2)c2ccccc2O1
282123308	ZINC000172138159	ref	4.15	-46.15	1	281.36	-0.145	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCn2cccn2)CCO1
342080838	ZINC000625325710	mid	3.84	-11.28	0	286.416	1.275	1	4	8	CCO[C@H](C(=O)N[C@H]1CCCN(CCOC)C1)C(C)C
168366189	ZINC000029555420	mid	-6.72	-47.63	0	185.116	-1.809	4	4	3	C[C@@H]([NH3+])[C@@H](O)[C@H](O)[P@](=O)([O-])O
259308610	ZINC000517230312	high	1.26	-11.58	0	211.302	0.757	1	3	6	C[C@@H](CNCC[C@@H](C)F)S(C)(=O)=O
342080839	ZINC000625325390	ref	4.78	-8.71	0	273.398	1.521	1	3	6	COCC1(S(=O)(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1
342080840	ZINC000625325547	ref	-1.79	-5.77	0	251.33	1.08	1	5	4	COc1cncc(CN2CCC(C)(CO)CC2)n1
342080841	ZINC000625325547	mid	1.31	-41.49	1	251.33	1.08	2	4	4	COc1cncc(C[NH+]2CCC(C)(CO)CC2)n1
342080842	ZINC000625325395	ref	4.79	-8.7	0	273.398	1.521	1	3	6	COCC1(S(=O)(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1
398245835	ZINC000651443846	ref	5.32	-6.88	0	290.285	3.336	0	4	2	CC1(C)C[C@@H](c2noc(C3(C(F)(F)F)CC3)n2)CCO1
398245838	ZINC000651443845	ref	5.32	-6.9	0	290.285	3.336	0	4	2	CC1(C)C[C@H](c2noc(C3(C(F)(F)F)CC3)n2)CCO1
214188038	ZINC000053538700	mid	8.0	-7.99	0	347.409	3.409	1	2	6	CN(Cc1cccc(F)c1)C(=O)NC[C@H](c1cccc(F)c1)N(C)C
282123242	ZINC000424369735	ref	5.22	-64.12	-1	279.34	1.744	2	5	7	CCC(CC)(CNc1ncccc1C(=O)NC)C(=O)[O-]
365619741	ZINC000617366263	ref	2.13	-8.58	0	284.356	0.023	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C1CCOCC1
342080843	ZINC000625325219	ref	2.14	-9.61	0	293.342	1.57	2	4	7	CO[C@@H](C[NH2+][C@H](CO)c1cnn(C)c1)c1ccc(F)cc1
398245842	ZINC000651433138	ref	8.27	-8.43	0	295.81	3.329	0	2	5	CCOC[C@@H]1CCN(C(=O)[C@H](C)c2ccc(Cl)cc2)C1
398245847	ZINC000651431196	ref	5.18	-34.18	1	288.366	3.219	1	2	3	C[C@@H](CO)C1CCN(c2cc[nH+]c3cc(F)ccc23)CC1
365619746	ZINC000617365059	ref	1.95	-14.62	0	298.383	0.603	2	4	6	COC[C@H](NC(=O)C[C@@H]1CCCC(=O)N1)C1CCOCC1
365619752	ZINC000617365900	ref	1.98	-11.64	0	282.344	0.226	1	6	7	COC[C@@H](NC(=O)CCn1ccnn1)C1CCOCC1
290622821	ZINC000356749380	ref	6.94	-10.41	0	265.74	2.803	1	2	2	C[C@H]1CC[C@@H]1NC(=O)c1cc(Cl)cc2c1OCC2
214188042	ZINC000053531136	ref	7.62	-12.82	0	346.383	2.595	1	5	7	COC(=O)c1cc(CN(C)C(=O)NCCOc2ccccc2)oc1C
365619756	ZINC000617366491	ref	1.14	-14.59	0	284.356	0.213	2	4	5	COC[C@H](NC(=O)[C@H]1CCCC(=O)N1)C1CCOCC1
214188048	ZINC000053526397	ref	6.29	-10.64	0	336.457	2.304	1	4	6	COc1ccc(SCC(=O)N[C@@H](C)C(=O)N2CCCCC2)cc1
214188052	ZINC000053547288	ref	9.17	-31.74	0	348.406	2.837	1	5	3	Cn1ccc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)cc1=O
214188054	ZINC000053547288	low	9.58	-50.49	1	348.406	2.837	1	4	3	Cn1ccc(C(=O)Nc2cccc(-c3cn4c([nH+]3)CCCC4)c2)cc1=O
214188061	ZINC000053534967	ref	7.31	-6.11	0	328.641	4.028	1	3	4	Cc1nn(CCNc2ccccc2Cl)c(C)c1Br
214188065	ZINC000053543878	ref	7.61	-15.12	0	328.416	3.01	2	5	5	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCNc1ncccn1
214188075	ZINC000053551907	ref	5.85	-22.37	0	348.399	2.458	1	5	3	CCOC(=O)N[C@H]1CCCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C1
219048254	ZINC000350682554	ref	0.39	-12.56	0	252.19	-0.061	2	7	4	Cc1noc(CNC(=O)c2cc([N+](=O)[O-])n[nH]2)n1
219048257	ZINC000350695025	ref	3.62	-16.6	0	277.368	2.31	3	3	4	Cc1cccc(NC(=O)NC[C@@H]2CCC[C@@H](CO)C2)n1
219048258	ZINC000350696440	ref	8.49	-7.63	0	280.375	3.226	2	3	3	Cc1cc(CNc2cc(C)ncn2)c2[nH]c(C)c(C)c2c1
349535422	ZINC000621496586	ref	9.06	-11.29	0	275.392	3.207	1	2	5	Cc1cccc(COCC(=O)N[C@H]2CCC[C@H](C)C2)c1
219048260	ZINC000350696440	low	8.93	-34.2	1	280.375	3.226	2	2	3	Cc1cc(CNc2cc(C)[nH+]cn2)c2[nH]c(C)c(C)c2c1
342080844	ZINC000625325219	mid	2.14	-9.61	0	293.342	1.57	2	5	7	CO[C@@H](CN[C@H](CO)c1cnn(C)c1)c1ccc(F)cc1
219048262	ZINC000350694791	ref	7.11	-11.83	0	298.477	3.269	0	4	5	CC(C)[C@@H]1N(C(=O)CSCc2cscn2)CC1(C)C
342080845	ZINC000625325490	ref	4.46	-14.37	0	272.308	1.631	1	5	4	COC1CC(C(=O)Nc2cnccc2-n2cccn2)C1
214188045	ZINC000293601201	ref	1.87	-49.63	1	371.503	0.337	4	4	9	Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@H](C)C[NH+](C)C)[C@@H](C)O)cc1
342080846	ZINC000625325490	mid	4.9	-38.01	1	272.308	1.631	1	4	4	COC1CC(C(=O)Nc2c[nH+]ccc2-n2cccn2)C1
219048264	ZINC000350686860	ref	7.88	-12.77	0	291.395	3.095	1	4	7	CC[C@H](C)n1ncc(NC(=O)[C@H](OC)C2CC2)c1C1CC1
343994158	ZINC000625559261	ref	0.83	-14.55	0	216.262	0.67	1	4	5	C/C=C\CNS(=O)(=O)Cc1ccon1
342080847	ZINC000625325227	ref	1.92	-11.3	0	291.413	1.292	1	4	7	O=S(=O)(CC[C@H]1CCCO1)NCC[C@@H]1CCCOC1
342080848	ZINC000625325746	ref	3.25	-48.61	1	259.3	1.478	2	3	5	Cn1cc([C@@H](CO)[NH2+]C[C@H]2CCC(F)(F)C2)cn1
342080849	ZINC000625325746	high	2.13	-8.75	0	259.3	1.478	2	4	5	Cn1cc([C@@H](CO)NC[C@H]2CCC(F)(F)C2)cn1
282123244	ZINC000163155900	ref	6.84	-20.03	0	325.347	2.019	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3cccnc13)CC2
342080850	ZINC000625325767	ref	3.84	-10.64	0	275.414	1.769	1	3	8	COCCCCS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
214188049	ZINC000293610209	ref	0.66	-13.8	0	357.31	0.049	1	7	4	COC(=O)[C@@]1(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)CCOC1
342080851	ZINC000625325245	ref	4.27	-12.05	0	259.357	1.586	1	4	5	Cc1ccc(C(C)(C)[NH2+]CCc2cn(C)nn2)cn1
342080852	ZINC000625325245	high	4.27	-12.05	0	259.357	1.586	1	5	5	Cc1ccc(C(C)(C)NCCc2cn(C)nn2)cn1
219048270	ZINC000350691780	ref	8.06	-9.32	0	297.289	3.284	1	5	2	Fc1cccc2ncnc(Nc3ccc4c(c3)OCCO4)c12
342080853	ZINC000625325218	ref	1.32	-12.29	0	279.402	1.147	1	4	7	COC(C)(C)CS(=O)(=O)NCC[C@@H]1CCCOC1
365619745	ZINC000336540700	mid	8.12	-35.81	1	250.386	2.118	1	1	3	CC(C)[C@H]1CCC[N@H+]([C@H]2CCN(C3CC3)C2=O)C1
342597047	ZINC000590786627	mid	5.65	-37.89	1	269.433	1.565	2	2	7	CCCNC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
342597048	ZINC000590786627	mid	5.66	-36.54	1	269.433	1.565	2	2	7	CCCNC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
365619747	ZINC000336540700	high	6.09	-8.4	0	250.386	2.118	0	2	3	CC(C)[C@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1
365619749	ZINC000336540049	ref	6.48	-11.0	0	272.348	2.187	1	3	3	O=C1[C@H](Nc2cccc3c2OCCC3)CCN1C1CC1
299072298	ZINC000358088120	high	0.86	-8.44	0	301.456	1.05	3	4	6	CSC[C@@](C)(O)CNC(=O)N[C@@H](C)C1=CCN(C)CC1
197595045	ZINC000162830885	ref	6.28	-38.91	1	304.619	3.05	2	2	2	C[C@@H]1[NH2+]CCC[C@@H]1Nc1ncc(Cl)cc1Br
197595047	ZINC000162827752	ref	4.51	-7.54	0	307.419	2.208	2	4	3	Cc1ncc(CNC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)s1
365619750	ZINC000336540085	ref	7.81	-10.87	0	273.38	2.496	0	3	2	Cc1ncc2c(n1)CCN(C(=O)C[C@@H]1CC[C@@H](C)C1)C2
342597049	ZINC000590785046	ref	-0.83	-10.35	0	259.309	1.684	1	5	2	Cc1nnc(CN2CCc3ccc(O)cc3CC2)o1
365619753	ZINC000336540634	ref	5.84	-42.92	1	259.415	2.076	1	2	3	CS(=O)(=O)[C@@H]1CCCC[N@H+](CC2CCCC2)C1
197595051	ZINC000162825168	ref	0.51	-15.44	0	313.423	1.883	3	3	5	CCC(C)(C)NC(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1
342597050	ZINC000590785046	mid	1.43	-46.42	1	259.309	1.684	2	4	2	Cc1nnc(C[N@@H+]2CCc3ccc(O)cc3CC2)o1
342597051	ZINC000590785046	mid	1.18	-46.26	1	259.309	1.684	2	4	2	Cc1nnc(C[N@H+]2CCc3ccc(O)cc3CC2)o1
342597052	ZINC000590785811	ref	4.41	-19.93	0	297.358	1.012	1	4	4	NC(=O)[C@H]1Cc2ccccc2N(CCn2ccccc2=O)C1
197595059	ZINC000162824955	ref	5.05	-12.63	0	307.35	2.72	3	4	4	Cc1cc([N+](=O)[O-])ccc1NC(=O)NCC1(O)CCCCC1
214188050	ZINC000337629364	ref	6.46	-14.96	0	286.326	2.101	1	3	4	C[C@@H](Cn1cccn1)NC(=O)N1CCCC[C@@H]1C(F)F
342597053	ZINC000616976932	ref	6.17	-9.56	0	253.35	1.689	0	5	4	CC[C@H](C)N(CC)C(=O)c1nnn(C(C)(C)C)n1
342597054	ZINC000590787045	ref	7.59	-92.56	2	267.417	1.341	3	1	7	C=CCNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597055	ZINC000590787045	mid	7.58	-94.45	2	267.417	1.341	3	1	7	C=CCNC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
214188062	ZINC000337628319	ref	-0.22	-11.82	0	261.297	-0.061	3	3	6	C[C@H](NC(=O)NC[C@@H]1CCCO1)C(=O)NCCF
214188066	ZINC000337630422	ref	2.15	-45.46	1	291.417	-0.145	2	3	6	CC[NH+](CC)CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1
214188069	ZINC000337630422	high	0.13	-22.27	0	291.417	-0.145	1	4	6	CCN(CC)CC(=O)N1CCC[C@H](CS(N)(=O)=O)C1
185089409	ZINC000096076135	mid	9.68	-38.99	1	299.353	1.865	1	4	3	Fc1cnccc1C[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1
214188051	ZINC000278489322	ref	4.47	-6.57	0	308.403	2.128	2	4	5	COc1cc(SC)ccc1NC(=O)C(=O)NC[C@@H]1C[C@@H]1C
178304385	ZINC000237262524	ref	6.68	-61.76	1	361.421	1.985	2	5	7	COCC[NH2+]CC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1
178304387	ZINC000237262524	mid	5.34	-20.3	0	361.421	1.985	2	6	7	COCCNCC(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1
219048259	ZINC000286546232	ref	5.4	-54.27	1	305.386	0.323	3	5	6	CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1
219048261	ZINC000286546232	mid	5.92	-53.68	1	305.386	0.323	3	5	6	CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1
178304390	ZINC000237259598	ref	5.07	-49.6	1	374.485	1.916	1	6	9	COCCN(C)CC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2
178304393	ZINC000237259598	high	4.69	-12.5	0	374.485	1.916	1	7	9	COCCN(C)CCNCc1cn(C)nc1-c1ccc2c(c1)OCCCO2
178304395	ZINC000237253696	ref	1.3	-48.59	1	372.263	1.101	2	4	6	COc1cc(C(=O)NCCN2CC[NH2+]CC2)cc(OC)c1Br
178304398	ZINC000237257102	ref	4.67	-39.31	1	353.488	1.445	2	3	7	C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(S(=O)(=O)NCC(C)C)cc1
178304401	ZINC000237257740	ref	4.13	-47.89	1	351.472	1.199	2	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
178304402	ZINC000237261037	ref	6.86	-55.42	1	365.861	1.821	2	3	4	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1
178304404	ZINC000237250767	ref	3.27	-18.69	0	366.418	1.842	2	5	7	CN(CCCC(=O)Nc1ccc(N)nc1)S(=O)(=O)c1ccc(F)cc1
219048263	ZINC000286546232	high	3.99	-18.09	0	305.386	0.323	2	6	6	CCN1CCCC[C@@H]1CNC(=O)NCCn1cnc(C#N)n1
214188056	ZINC000278491050	ref	5.78	-16.7	0	313.357	2.214	1	4	4	Cc1cnccc1OC1CCN(C(=O)c2ccc(C=O)[nH]2)CC1
178304406	ZINC000237250767	low	3.75	-44.59	1	366.418	1.842	2	4	7	CN(CCCC(=O)Nc1ccc(N)[nH+]c1)S(=O)(=O)c1ccc(F)cc1
178304408	ZINC000237257865	ref	3.73	-59.47	1	353.85	1.666	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NCCC[NH3+])CC1
178304410	ZINC000237249709	ref	4.19	-55.34	1	360.863	1.874	1	4	4	COC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1Cl
178304412	ZINC000237246148	ref	3.89	-45.29	1	362.474	1.594	3	4	9	COCC[NH2+]CC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1
197595042	ZINC000290098993	ref	9.74	-10.29	0	292.408	2.634	0	6	2	Cc1cc(-c2nnc(N3CCSC[C@H]3C)n2C)c(C)o1
282123246	ZINC000424369474	ref	4.79	-47.29	-1	343.449	2.071	2	6	9	CCC(CC)(CNc1ncccc1S(=O)(=O)NC(C)C)C(=O)[O-]
342597056	ZINC000590787045	mid	5.44	-36.33	1	267.417	1.341	2	2	7	C=CCNC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
214188053	ZINC000293610209	mid	0.58	-43.37	-1	357.31	0.049	0	7	4	COC(=O)[C@@]1([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CCOC1
282123251	ZINC000347664686	ref	2.47	-8.47	0	298.349	2.671	3	2	7	CCC(CC)(CO)CNC(=O)N[C@@H](C(C)C)C(F)(F)F
342597057	ZINC000590787045	mid	5.44	-37.68	1	267.417	1.341	2	2	7	C=CCNC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
342597058	ZINC000590785624	ref	4.56	-41.89	1	262.353	1.317	3	2	3	CC(C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
214188057	ZINC000293603341	ref	4.16	-50.69	1	370.471	0.936	2	5	8	C[C@H](CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)C[NH+](C)C
214188059	ZINC000293603341	high	1.94	-15.77	0	370.471	0.936	1	6	8	C[C@H](CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2)CN(C)C
214188064	ZINC000293605655	ref	1.03	-14.29	0	372.443	0.798	2	6	9	CCOC(=O)c1cc(COC)cc(S(=O)(=O)N[C@H](C(N)=O)C(C)C)c1
282123267	ZINC000338134505	ref	4.19	-10.39	0	284.444	2.909	3	2	6	CCC(CC)(CO)CNC(=O)NC1[C@@H](C)CCC[C@@H]1C
214188067	ZINC000293603313	ref	4.87	-30.72	0	369.418	0.811	0	5	4	CN(C(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)[C@H]1CCN(S(C)(=O)=O)C1
342597059	ZINC000590785624	mid	4.56	-42.78	1	262.353	1.317	3	2	3	CC(C)NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
342597060	ZINC000590785624	mid	2.81	-10.23	0	262.353	1.317	2	3	3	CC(C)NC(=O)CN1CCc2ccc(O)cc2CC1
214188072	ZINC000293607784	ref	3.76	-47.39	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)C1
214188077	ZINC000293607784	mid	4.37	-48.74	1	359.47	0.9	4	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2CO)C1
214188079	ZINC000293607784	mid	2.13	-16.17	0	359.47	0.9	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H]2CN(Cc3ccccc3)CC[C@@H]2CO)C1
214188084	ZINC000293602604	ref	6.49	-13.64	0	365.463	0.088	1	8	1	Cc1nc(NC(=O)C(=O)N2CCN(C3=NCC(C)(C)S3)CC2)nn1C
214188088	ZINC000293602604	low	7.35	-36.97	1	365.463	0.088	2	7	1	Cc1nc(NC(=O)C(=O)N2CCN(C3=[NH+]CC(C)(C)S3)CC2)nn1C
214188092	ZINC000293602517	ref	4.18	-10.56	0	360.37	0.779	2	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NCc1cc(C)cc(OC)c1
365619757	ZINC000336540634	mid	5.88	-44.27	1	259.415	2.076	1	2	3	CS(=O)(=O)[C@@H]1CCCC[N@@H+](CC2CCCC2)C1
365619759	ZINC000336540634	high	3.13	-10.33	0	259.415	2.076	0	3	3	CS(=O)(=O)[C@@H]1CCCCN(CC2CCCC2)C1
365619761	ZINC000336540846	ref	4.96	-8.05	0	275.339	2.287	1	2	3	CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(O)(C(F)F)CC1
342080854	ZINC000625325550	ref	3.82	-10.94	0	275.414	1.624	1	3	7	COC[C@H](C)CS(=O)(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
365619764	ZINC000336540057	ref	6.89	-42.62	1	290.407	2.125	2	2	3	C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@](C)(O)CC2)c1
342080855	ZINC000625325581	ref	4.55	-8.14	0	272.389	1.893	1	3	10	C=CC(C)(C)CCNC(=O)N(CCOC)CCOC
214188060	ZINC000278491050	mid	6.23	-49.84	1	313.357	2.214	1	3	4	Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(C=O)[nH]2)CC1
365619767	ZINC000336540057	high	4.42	-11.72	0	290.407	2.125	1	3	3	CN(C)Cc1cccc(C(=O)N2CCC[C@@](C)(O)CC2)c1
365619769	ZINC000336540502	ref	5.47	-7.75	0	251.37	2.042	1	2	2	CC1(C)C(C(=O)N2CC[C@](O)(C3CC3)C2)C1(C)C
342088426	ZINC000121364791	ref	8.08	-15.35	0	293.317	1.99	1	3	6	Cn1cncc1CCNC(=O)CCc1ccc(F)cc1F
342088427	ZINC000121364791	low	8.59	-39.97	1	293.317	1.99	1	2	6	Cn1c[nH+]cc1CCNC(=O)CCc1ccc(F)cc1F
342088428	ZINC000121479506	ref	7.02	-15.44	0	285.351	1.967	1	5	5	Cc1nc(NC(=O)CCc2ccnn2C)cc(C2CC2)n1
342088429	ZINC000121514245	ref	7.13	-14.58	0	267.398	1.612	1	4	5	Cn1cncc1CCNC(=O)CC1CCSCC1
290622824	ZINC000335290498	ref	2.91	-12.85	0	260.293	1.546	2	3	2	C[C@H]1CC[C@@H]1NC(=O)c1ccc2c(c1)OCC(=O)N2
343994159	ZINC000139316034	ref	3.54	-34.6	1	191.234	1.485	1	3	3	Cc1ccc([C@H]([NH3+])Cn2cccn2)o1
343994161	ZINC000139316034	mid	3.07	-6.62	0	191.234	1.485	1	4	3	Cc1ccc([C@H](N)Cn2cccn2)o1
342088430	ZINC000121514245	low	7.64	-39.26	1	267.398	1.612	1	3	5	Cn1c[nH+]cc1CCNC(=O)CC1CCSCC1
342088431	ZINC000121371717	ref	1.15	-16.88	0	283.353	1.089	2	4	3	Cc1cnccc1NC(=O)NC[C@@H]1CCCS1(=O)=O
342088432	ZINC000121371717	low	1.61	-40.74	1	283.353	1.089	2	3	3	Cc1c[nH+]ccc1NC(=O)NC[C@@H]1CCCS1(=O)=O
346818851	ZINC000067766655	low	7.26	-39.53	1	298.814	2.697	2	2	8	CCCCNC(=O)C[N@@H+](C)Cc1cc(Cl)ccc1OC
133428562	ZINC000306489448	ref	3.34	-13.39	0	198.291	1.302	1	3	2	CCC(=O)NC1(C#N)CCSCC1
346818860	ZINC000067768568	ref	7.25	-10.05	0	285.372	2.849	0	4	4	CCc1nc(CN(C)C(=O)c2ccc(C#N)cc2)cs1
346818864	ZINC000067786095	ref	7.92	-18.8	0	286.287	2.785	1	4	5	COc1ccc(CC(=O)Nc2ccccc2)cc1[N+](=O)[O-]
168364938	ZINC000368498905	ref	5.5	-14.07	0	335.839	3.083	1	6	5	COc1ncc([C@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1Cl
365619758	ZINC000172797758	ref	4.05	-10.6	0	287.367	1.116	0	6	3	CC(C)n1ccc(CN2CCc3nn(C)c(=O)cc3C2)n1
365619763	ZINC000172797758	mid	6.75	-50.78	1	287.367	1.116	1	5	3	CC(C)n1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)n1
365619768	ZINC000172797758	mid	6.58	-51.27	1	287.367	1.116	1	5	3	CC(C)n1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)n1
342080856	ZINC000625326119	ref	1.61	-12.87	0	291.413	1.149	1	4	7	O=S(=O)(CC[C@@H]1CCOC1)NCC[C@@H]1CCCOC1
365619772	ZINC000172800478	ref	6.68	-44.23	1	298.394	1.332	1	5	3	c1ccc(-n2nnnc2CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1
365619778	ZINC000172800478	mid	7.41	-40.8	1	298.394	1.332	1	5	3	c1ccc(-n2nnnc2CN2CC[N@H+]3CCCC[C@@H]3C2)cc1
365619782	ZINC000172800478	high	5.17	-8.23	0	298.394	1.332	0	6	3	c1ccc(-n2nnnc2CN2CCN3CCCC[C@@H]3C2)cc1
365619788	ZINC000172801047	ref	4.85	-16.44	0	285.347	1.915	3	3	6	Cc1cc(=O)c(C(=O)NCCCNc2ccccc2)c[nH]1
299072299	ZINC000354603486	ref	-0.16	-21.43	0	343.43	0.279	2	5	4	NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C(=O)NC2CC2)s1
365619793	ZINC000172795047	ref	7.63	-39.72	1	299.418	1.88	1	2	2	Cc1ccc(N2CC[C@@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1
365619795	ZINC000172795047	mid	8.03	-39.15	1	299.418	1.88	1	2	2	Cc1ccc(N2CC[C@@H](N3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1
343994902	ZINC000139425310	ref	5.59	-7.94	0	189.258	2.636	1	2	1	CC(=O)c1ccc2c(c1)CC[C@@H](C)N2
290622826	ZINC000430003652	ref	3.86	-24.79	0	346.449	0.506	1	5	4	CNC(=O)[C@]1(C)CCN(S(=O)(=O)[C@H]2CCCC[C@@H]2C(=O)OC)C1
365619798	ZINC000172795047	high	5.91	-10.13	0	299.418	1.88	0	3	2	Cc1ccc(N2CC[C@@H](N3CCN4CCC[C@@H]4C3)C2=O)cc1
365619802	ZINC000258640492	ref	6.64	-49.44	1	269.352	1.93	2	4	4	C[C@@H]([NH3+])CNc1cc(N2CCc3ccccc32)ncn1
365619806	ZINC000565279770	ref	4.39	-9.38	0	269.308	1.803	2	4	4	CC(C)[C@@H](NC(=O)c1ccc(C#N)cn1)c1ncc[nH]1
282123247	ZINC000449155489	ref	7.94	-51.48	-1	287.319	2.051	0	5	4	CC(C)N(C)C(=O)c1cc(C(=O)[O-])n(-c2ccccc2)n1
168364939	ZINC000368498905	low	6.44	-50.87	1	335.839	3.083	1	5	5	COc1ncc([C@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1Cl
168366192	ZINC000029555420	mid	-5.61	-106.58	-1	185.116	-1.809	3	5	3	C[C@@H]([NH3+])[C@@H](O)[C@H](O)P(=O)([O-])[O-]
342080857	ZINC000625326439	ref	0.98	-10.85	0	259.327	1.375	1	4	5	O=S(=O)(NCC[C@@H]1CCCOC1)c1ccoc1
168364940	ZINC000368499092	ref	9.86	-13.71	0	338.338	3.004	0	4	3	COC(=O)C[C@H]1CN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21
168364941	ZINC000368496549	ref	7.57	-12.25	0	325.412	3.068	2	2	4	CCc1[nH]ccc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1
299072300	ZINC000354601969	ref	0.61	-19.38	0	327.425	0.324	3	4	6	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@H](CC(N)=O)C1CCOCC1
299072301	ZINC000354603781	ref	1.68	-16.25	0	335.404	0.579	3	4	9	CC[C@H](C)[C@@H](OC)C(=O)NCc1ccc(C(=O)NCC(N)=O)cc1
282123248	ZINC000151683226	ref	5.08	-9.77	0	305.374	2.258	1	4	6	COC[C@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(C)C
214188063	ZINC000278489482	ref	2.05	-11.56	0	314.354	2.004	2	5	5	CS[C@@H](CO)[C@@H](C)NC(=O)c1ncsc1C(F)(F)F
214188068	ZINC000278490356	ref	5.3	-10.95	0	305.418	3.101	2	3	9	CCC[C@H](CCO)CNC(=O)c1ccc(OC)c(C2CC2)c1
219048265	ZINC000286547919	ref	4.1	-15.67	0	323.361	2.117	0	4	8	CCN(CC(F)F)S(=O)(=O)c1cc(COC)ccc1OC
124847170	ZINC000174011012	ref	9.39	-17.71	0	339.443	2.524	1	5	6	Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCn1cnc2ccccc21
349535423	ZINC000621242402	ref	4.88	-58.11	-1	264.306	2.148	0	6	2	Cc1ccsc1-c1nc2n(c1C(=O)[O-])CCOC2
398245836	ZINC000649444111	mid	0.8	-6.24	0	217.15	2.392	1	3	1	Cc1coc(-c2cc(C(F)(F)F)n[nH]2)n1
342597061	ZINC000590787191	ref	7.83	-93.95	2	269.433	1.563	3	1	6	CC(C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597062	ZINC000590787191	mid	7.85	-92.06	2	269.433	1.563	3	1	6	CC(C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597063	ZINC000590787191	mid	5.69	-37.55	1	269.433	1.563	2	2	6	CC(C)NC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
365619760	ZINC000625020687	ref	4.4	-13.91	0	322.409	2.499	1	5	6	CO[C@H](C)c1noc(CN(C)C(=O)NC[C@H]2CCCC23CC3)n1
365619765	ZINC000625022993	ref	5.56	-11.44	0	315.373	2.474	1	5	4	CCn1nc(C)cc1C(=O)N[C@@H]1CCOc2c(OC)cccc21
219048267	ZINC000286546306	ref	6.46	-15.96	0	321.373	1.67	1	5	8	CCOC1CC(C(=O)NCc2cccc(OCC(=O)OC)c2)C1
219048269	ZINC000286546133	ref	4.88	-22.17	0	307.325	0.829	1	3	3	CN1C(=O)N[C@@H]2CN(C(=O)COc3ccc(F)cc3)CC[C@@H]21
365619770	ZINC000625020662	ref	6.12	-16.3	0	303.41	2.301	2	4	3	Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@H]1CCCC12CC2
365619774	ZINC000625020665	ref	6.12	-16.36	0	303.41	2.301	2	4	3	Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@H]1CCCC12CC2
219048271	ZINC000286547404	ref	7.04	-9.39	0	317.385	2.057	0	4	4	O=C(CCC(=O)N1CCO[C@@]2(CCCOC2)C1)c1ccccc1
282123249	ZINC000248977077	mid	2.71	-37.23	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1
192339903	ZINC000081923255	high	2.03	-9.22	0	313.419	1.626	1	5	6	CCCN[C@@H]1CCOC[C@H]1S(=O)(=O)c1ccc(OC)cc1
192339906	ZINC000081925893	ref	3.82	-46.88	1	301.408	1.789	1	4	8	CC[NH2+][C@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1
210256638	ZINC000272862346	ref	7.41	-16.22	0	312.373	1.673	1	4	1	O=C(c1cccn2c(=O)[nH]nc12)N1CC2C[C@H]3CC1C[C@@H](C2)C3
210256643	ZINC000272863651	ref	6.96	-45.88	1	311.426	1.525	3	3	7	CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1
210256646	ZINC000272863651	mid	6.89	-46.01	1	311.426	1.525	3	3	7	CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1
214188071	ZINC000278489447	ref	7.36	-39.16	1	320.462	3.357	1	5	9	CC[NH+](CC)CCN(Cc1cccs1)c1nnc(C2CC2)o1
210256649	ZINC000272863651	high	4.53	-10.01	0	311.426	1.525	2	4	7	CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H](C)C1=CCN(C)CC1
210256653	ZINC000272862088	ref	7.45	-14.73	0	321.446	2.788	0	5	3	Cc1cn2c(CN(C)C(=O)[C@]3(C)CCCOC3)c(C)nc2s1
210256657	ZINC000272862176	ref	10.05	-13.12	0	307.401	3.213	1	5	6	C[C@H](NCc1nnc(C2CC2)n1C1CC1)c1ccc(C#N)cc1
365619762	ZINC000617366611	ref	-0.48	-6.81	0	295.339	0.657	1	6	6	COC[C@@H](NC(=O)c1cncc(OC)n1)C1CCOCC1
365619766	ZINC000617365903	ref	2.03	-11.51	0	282.344	0.226	1	6	7	COC[C@H](NC(=O)CCn1ccnn1)C1CCOCC1
214188074	ZINC000278490655	ref	5.08	-8.01	0	302.418	2.291	1	3	5	CC(=O)NC[C@@H]1CN(Cc2ccc(C3CCC3)cc2)CCO1
210256661	ZINC000272862176	mid	11.21	-56.79	1	307.401	3.213	1	4	6	C[C@H]([NH2+]Cc1nnc(C2CC2)n1C1CC1)c1ccc(C#N)cc1
214188078	ZINC000278490655	low	7.55	-44.86	1	302.418	2.291	2	2	5	CC(=O)NC[C@@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCO1
342597064	ZINC000590787191	mid	5.69	-36.26	1	269.433	1.563	2	2	6	CC(C)NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
342597065	ZINC000590786310	ref	8.38	-97.31	2	283.46	1.953	3	1	7	CC(C)NC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597066	ZINC000590786310	mid	8.4	-98.1	2	283.46	1.953	3	1	7	CC(C)NC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
197595066	ZINC000290098371	ref	4.31	-7.85	0	259.309	3.07	0	5	2	Cc1ccc(-c2noc([C@@H]3CCC(C)(C)O3)n2)cn1
365619771	ZINC000617365357	ref	1.74	-7.67	0	259.346	0.561	2	4	6	COC[C@H](NC(=O)[C@H](O)C(C)C)C1CCOCC1
210256667	ZINC000272862437	ref	5.03	-13.49	0	304.39	1.41	2	3	5	CC(C)N1C[C@@H](NC(=O)C[C@@](C)(O)c2ccccc2)CC1=O
342080858	ZINC000625326502	ref	4.43	-39.59	1	267.373	1.44	1	4	6	Cn1cc(C(C)(C)[NH2+]CCOC2CCOCC2)cn1
168364942	ZINC000044463516	ref	4.15	-37.12	1	195.237	1.65	1	1	2	C[C@@H]([NH3+])Cc1cc(F)cc2c1OCC2
282123250	ZINC000449155945	ref	6.02	-58.29	1	275.364	2.427	1	1	7	C[C@@H](C[NH2+]CCC[S@](C)=O)c1cc(F)cc(F)c1
343994160	ZINC000625559289	ref	7.76	-35.6	1	228.339	3.073	1	1	2	C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2Cc1ccncc1C
214188073	ZINC000337630155	ref	7.71	-13.91	0	292.342	3.136	1	4	3	Cc1ccc(C(=O)Nc2cnccc2-n2cccn2)cc1C
214188076	ZINC000337630155	mid	8.16	-37.31	1	292.342	3.136	1	3	3	Cc1ccc(C(=O)Nc2c[nH+]ccc2-n2cccn2)cc1C
214188080	ZINC000337632349	ref	0.87	-43.19	1	270.377	-0.286	3	3	7	O=C(NCCCN1CCOCC1)NCC[NH+]1CCC1
343994162	ZINC000625559289	mid	8.3	-36.07	1	228.339	3.073	1	1	2	C=C1C[C@@H]2CC[C@H](C1)[N@H+]2Cc1ccncc1C
343994166	ZINC000625559334	ref	3.67	-11.65	0	243.303	1.821	1	2	5	C/C=C/CNS(=O)(=O)Cc1ccccc1F
342080859	ZINC000625326502	high	3.15	-8.32	0	267.373	1.44	1	5	6	Cn1cc(C(C)(C)NCCOC2CCOCC2)cn1
343994168	ZINC000625559015	ref	-0.47	-8.91	0	242.3	0.945	1	4	5	C/C=C\CNS(=O)(=O)c1ccc(OC)nc1
214188083	ZINC000337632349	mid	-2.32	-10.94	0	270.377	-0.286	2	4	7	O=C(NCCCN1CCOCC1)NCCN1CCC1
214188085	ZINC000337632349	low	3.28	-90.01	2	270.377	-0.286	4	2	7	O=C(NCCC[NH+]1CCOCC1)NCC[NH+]1CCC1
214188089	ZINC000337631393	ref	7.05	-11.4	0	289.366	3.085	0	2	5	CC1(C)CCCC[C@@H]1CC(=O)N1CC(OCC(F)F)C1
214188093	ZINC000337629161	ref	0.71	-10.22	0	257.286	0.507	1	5	8	COCc1ccc(C(=O)N(C)CCOCCO)o1
214188097	ZINC000337630142	ref	-0.03	-13.3	0	257.334	0.067	3	3	5	CC(=O)NCCNC(=O)N1CCC[C@H]1C[C@H](C)O
214188100	ZINC000337629926	ref	5.5	-11.01	0	297.358	2.435	1	4	3	Cc1cc(C(=O)N[C@H]2CCCO[C@H]2c2ccncc2)ccn1
214188105	ZINC000337629526	ref	3.51	-18.58	0	294.351	0.123	2	4	9	COCCNC(=O)[C@H](Cc1ccccc1)NC(=O)COC
214188106	ZINC000337628925	ref	7.43	-13.82	0	299.325	2.018	2	4	5	Cc1cc(N(C)C)nc(NC(=O)NCC2(C(F)F)CC2)n1
214188109	ZINC000337629565	ref	4.18	-13.8	0	267.288	3.092	1	4	2	Cc1cccc(C(=O)Nc2cnc3onc(C)c3c2)c1
214188119	ZINC000337629694	ref	4.93	-13.48	0	281.315	3.346	1	4	3	CCc1ccc(C(=O)Nc2cnc3onc(C)c3c2)cc1
214188124	ZINC000337630811	ref	7.96	-12.68	0	277.372	2.161	2	4	3	Cc1cc(N(C)C)nc(NC(=O)N[C@@H]2CC[C@@H](C)C2)n1
214188127	ZINC000337630652	ref	5.06	-7.52	0	263.328	3.089	1	2	6	CCC(CC)C(=O)N[C@H]1CCCC[C@@H]1OC(F)F
342080860	ZINC000625325895	ref	2.39	-10.68	0	291.413	1.149	1	4	9	O=S(=O)(CCOCC1CC1)NCC[C@H]1CCCOC1
342080861	ZINC000625325811	ref	2.4	-11.99	0	293.429	1.395	1	4	9	CCOC[C@@H](C)CS(=O)(=O)NCC[C@@H]1CCCOC1
219048272	ZINC000350682609	ref	9.55	-33.18	1	299.418	3.088	1	3	5	Cn1nccc1-c1ccccc1C[N@H+](C)C[C@H]1CCCCO1
219048274	ZINC000350682609	mid	9.15	-35.61	1	299.418	3.088	1	3	5	Cn1nccc1-c1ccccc1C[N@@H+](C)C[C@H]1CCCCO1
219048275	ZINC000350682609	high	6.85	-6.47	0	299.418	3.088	0	4	5	CN(Cc1ccccc1-c1ccnn1C)C[C@H]1CCCCO1
219048277	ZINC000350684670	ref	7.78	-41.93	1	290.407	2.086	2	2	7	CCc1ccccc1OCCC(=O)NC[C@H]1CC[N@H+](C)C1
219048279	ZINC000350684670	mid	7.81	-42.27	1	290.407	2.086	2	2	7	CCc1ccccc1OCCC(=O)NC[C@H]1CC[N@@H+](C)C1
219048280	ZINC000350689019	ref	1.66	-13.24	0	294.351	2.11	3	4	5	Cc1cc2c(cc1NC(=O)NC[C@@H](CO)C(C)C)OCO2
219048282	ZINC000350686743	ref	6.51	-14.85	0	299.37	2.448	1	3	4	C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[C@H](CO)C1
343994165	ZINC000139350717	ref	3.8	-42.72	-1	156.181	0.932	1	3	3	O=C([O-])[C@H](O)CC1=CCCC1
219048286	ZINC000350682324	ref	2.05	-13.45	0	293.323	-0.056	3	4	6	COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](C)NC(N)=O
214188081	ZINC000053526584	ref	6.16	-18.23	0	345.468	2.634	3	3	5	C=C(C)CNC(=S)Nc1ccc([C@]2(CC)CCC(=O)NC2=O)cc1
214190472	ZINC000053602381	ref	7.0	-41.1	1	329.469	3.387	2	3	4	C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1
219048289	ZINC000350685061	ref	2.11	-13.81	0	282.299	3.403	2	4	2	Cc1ccc(O)c(NC(=O)c2ccc3oc(C)nc3c2)c1
282123252	ZINC000248976998	ref	5.41	-42.87	1	309.406	1.815	3	4	8	CC(C)OC(=O)c1ccc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1
342080862	ZINC000625326441	ref	0.97	-10.91	0	259.327	1.375	1	4	5	O=S(=O)(NCC[C@H]1CCCOC1)c1ccoc1
342080863	ZINC000625325998	ref	4.83	-9.26	0	287.425	1.769	1	3	8	O=S(=O)(CCOCC1CC1)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342080864	ZINC000625326733	ref	5.17	-48.52	1	294.399	1.052	2	4	6	CCn1cc(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)c(C)n1
342080865	ZINC000625326733	mid	5.72	-48.77	1	294.399	1.052	2	4	6	CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](CCOC)C2)c(C)n1
342080866	ZINC000625326733	mid	2.97	-13.37	0	294.399	1.052	1	5	6	CCn1cc(C(=O)N[C@@H]2CCCN(CCOC)C2)c(C)n1
398245839	ZINC000649444111	high	0.69	-38.36	-1	217.15	2.392	0	3	1	Cc1coc(-c2cc(C(F)(F)F)[n-]n2)n1
349536196	ZINC000258978575	ref	4.5	-8.21	0	211.228	1.355	1	5	3	N#Cc1cc(NCc2ccccn2)ncn1
361823580	ZINC000612423379	ref	2.24	-11.57	0	324.358	2.169	1	7	7	CCOc1nc(C(=O)N[C@@H](CC(=O)OC)c2cccs2)co1
190494129	ZINC000269434503	ref	5.57	-10.09	0	293.363	3.048	2	3	4	Cc1ccc(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)s1
168366194	ZINC000054161056	ref	1.41	-38.0	1	198.291	1.106	1	3	2	C[C@@H]([NH3+])Cc1nc2c(s1)COCC2
361823586	ZINC000612423839	ref	8.65	-43.82	1	317.433	2.463	2	2	6	C[NH+](C)CCOc1cccc(CNC(=O)N2C3CCC2CC3)c1
282123253	ZINC000248976998	mid	5.43	-40.24	1	309.406	1.815	3	4	8	CC(C)OC(=O)c1ccc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc1
178304416	ZINC000237246148	mid	6.05	-91.66	2	362.474	1.594	4	3	9	COCC[NH2+]CC(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCC2)c1
343994169	ZINC000139320859	ref	3.09	-10.73	0	154.213	1.061	1	2	3	CC[C@H](C)[C@H](C#N)NC(C)=O
346818854	ZINC000589953309	ref	8.74	-11.13	0	275.392	3.41	1	2	5	Cc1cc(O[C@H](C)C(=O)N[C@H]2C[C@@H]2C)ccc1C(C)C
346818861	ZINC000589953622	ref	8.61	-11.24	0	275.392	3.276	1	2	4	C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@H]1C[C@@H]1C
346818863	ZINC000589954100	ref	8.22	-9.1	0	263.406	3.427	1	2	5	CC(C)c1ccc(SCC(=O)N[C@H]2C[C@@H]2C)cc1
282123257	ZINC000248976998	high	2.93	-7.98	0	309.406	1.815	2	5	8	CC(C)OC(=O)c1ccc(CN(C[C@@H](C)O)[C@H](C)CO)cc1
342080867	ZINC000625325891	ref	2.58	-12.52	0	293.429	1.393	1	4	8	CO[C@H](CS(=O)(=O)NCC[C@H]1CCCOC1)C(C)C
342080868	ZINC000625325822	ref	5.86	-42.49	1	281.4	1.337	3	2	7	CCO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1
342080869	ZINC000625325822	mid	6.02	-43.51	1	281.4	1.337	3	2	7	CCO[C@@H](C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1
342080870	ZINC000625325822	high	3.16	-7.79	0	281.4	1.337	2	3	7	CCO[C@@H](CN1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1
346818870	ZINC000589955078	ref	7.55	-9.27	0	268.36	3.496	1	2	3	CC(C)c1cc(C(=O)N[C@H]2C[C@H]2C)c2ccccc2n1
346818875	ZINC000589953484	ref	7.37	-8.3	0	259.349	3.146	1	2	4	C[C@H]1C[C@@H]1NC(=O)c1ccc(OC2CCCC2)cc1
346818881	ZINC000589954102	ref	8.38	-8.92	0	263.406	3.427	1	2	5	CC(C)c1ccc(SCC(=O)N[C@H]2C[C@H]2C)cc1
346818888	ZINC000589953272	ref	8.54	-10.12	0	299.37	3.401	1	3	5	CC(=O)CCc1ccc2oc(C(=O)N[C@H]3C[C@H]3C)c(C)c2c1
346818894	ZINC000589953162	ref	9.11	-10.24	0	275.392	3.41	1	2	5	Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N[C@@H]1C[C@@H]1C
346818900	ZINC000589953890	ref	8.9	-14.86	0	299.37	3.215	1	3	4	C[C@H]1C[C@H]1NC(=O)COc1ccc2oc3c(c2c1)CCCC3
346818905	ZINC000589954989	ref	7.77	-7.8	0	261.365	3.394	1	2	7	CCCCCOc1ccc(C(=O)N[C@H]2C[C@@H]2C)cc1
365619773	ZINC000336540319	ref	7.14	-44.09	1	284.363	2.064	2	2	3	C[NH+](C)Cc1cccc(C(=O)N2CCCc3n[nH]cc32)c1
190494140	ZINC000269436232	ref	7.5	-13.05	0	289.379	2.174	0	4	4	Cn1cc(C(=O)C[C@H]2CCCN2C(=O)C2CCCC2)cn1
342597067	ZINC000590785291	ref	5.31	-43.59	1	274.364	1.319	3	2	4	O=C(C[N@H+]1CCc2ccc(O)cc2CC1)NCC1CC1
185089410	ZINC000096076135	mid	9.46	-43.56	1	299.353	1.865	1	4	3	Fc1cnccc1C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1
365619776	ZINC000336540319	high	4.68	-11.16	0	284.363	2.064	1	3	3	CN(C)Cc1cccc(C(=O)N2CCCc3n[nH]cc32)c1
190494141	ZINC000269432020	ref	5.37	-8.82	0	285.347	3.018	1	4	5	CC/C=C(\C)C(=O)NCc1noc(-c2ccccc2C)n1
365619780	ZINC000336540320	ref	10.5	-13.37	0	295.386	2.462	0	3	2	O=C(C1Cc2ccccc2C1)N1CCC(n2ccnc2)CC1
365619783	ZINC000336540320	low	11.18	-42.69	1	295.386	2.462	0	2	2	O=C(C1Cc2ccccc2C1)N1CCC(n2cc[nH+]c2)CC1
365619786	ZINC000336540239	ref	6.55	-12.05	0	285.265	2.409	0	2	3	CN(Cc1cc(F)c(F)c(F)c1)C(=O)C1=CCOCC1
349535424	ZINC000621242229	ref	6.22	-9.05	0	289.423	2.47	0	3	3	Cc1cc(CN2CCN(C(=O)CC(C)(C)C)CC2)ccn1
365619791	ZINC000336540023	ref	4.55	-11.0	0	298.427	2.138	2	3	3	C[C@@H]1CCC[C@@H](NC(=O)N(C)CC2(O)CCOCC2)CC1
185089412	ZINC000096076212	ref	8.42	-41.45	1	292.383	0.605	1	4	1	Cn1cnc(C(=O)N2CCC[C@]3(COCC[N@H+](C)C3)C2)c1
290623544	ZINC000492532190	ref	7.29	-43.68	1	287.407	2.251	2	2	5	Cc1ccncc1/C=C\C(=O)NCC[NH+]1CCC(C)CC1
185089414	ZINC000096076212	mid	7.46	-43.09	1	292.383	0.605	1	4	1	Cn1cnc(C(=O)N2CCC[C@]3(COCC[N@@H+](C)C3)C2)c1
365619796	ZINC000336540685	ref	5.79	-48.62	1	287.367	2.039	3	2	2	Cc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)cc2n[nH]cc12
290623546	ZINC000492532190	high	4.88	-11.32	0	287.407	2.251	1	3	5	Cc1ccncc1/C=C\C(=O)NCCN1CCC(C)CC1
365619799	ZINC000336540685	high	3.4	-14.37	0	287.367	2.039	2	3	2	Cc1cc(NC(=O)N2CC[C@H](N(C)C)C2)cc2n[nH]cc12
178305490	ZINC000010382619	low	8.59	-32.19	0	218.256	2.299	0	3	2	Cc1cc2[nH+]cn([C@H](C)C(=O)[O-])c2cc1C
192038024	ZINC000418464283	ref	3.3	-51.01	1	227.352	1.411	2	1	4	CC[C@@H]1[C@@H](C)CCN1C(=O)NC[C@H](C)C[NH3+]
342597068	ZINC000590785291	mid	5.31	-42.7	1	274.364	1.319	3	2	4	O=C(C[N@@H+]1CCc2ccc(O)cc2CC1)NCC1CC1
342597069	ZINC000590785291	mid	3.55	-10.1	0	274.364	1.319	2	3	4	O=C(CN1CCc2ccc(O)cc2CC1)NCC1CC1
178304418	ZINC000237246148	high	2.55	-14.74	0	362.474	1.594	3	5	9	COCCNCC(=O)Nc1ccc(C)c(NC(=O)CN2CCCCC2)c1
178304421	ZINC000237249902	ref	2.49	-13.85	0	361.364	1.406	2	4	7	Cc1cc(CN(C)C(=O)[C@@H](N)CC(N)=O)cc(C)c1OCC(F)(F)F
178304423	ZINC000237249902	mid	2.84	-43.37	1	361.364	1.406	2	3	7	Cc1cc(CN(C)C(=O)[C@@H]([NH3+])CC(N)=O)cc(C)c1OCC(F)(F)F
178304424	ZINC000237261945	ref	6.82	-55.96	-1	361.192	1.437	0	5	7	CN(CCCC(=O)[O-])C(=O)CN(C)C(=O)c1ccc(Br)o1
178304426	ZINC000237263655	ref	3.33	-55.72	1	359.43	1.408	2	6	7	COc1cccc(O[C@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
349535425	ZINC000621496293	ref	6.17	-20.42	0	271.364	3.262	2	2	3	CCC1CCC(NC(=O)c2c[nH]c3cccnc23)CC1
343994170	ZINC000622825079	ref	5.77	-7.1	0	239.359	2.498	1	2	6	CC[C@H]1CCC[C@@H]1NC(=O)C1(CCOC)CC1
178304430	ZINC000237245719	ref	4.44	-48.93	1	364.446	1.915	1	4	4	CN(C1C[C@@H]2CC[C@H](C1)[NH2+]2)S(=O)(=O)c1cnn(-c2ccccc2F)c1
178304433	ZINC000237252543	ref	4.91	-48.09	1	363.483	1.351	2	3	7	C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(S(=O)(=O)NC2CC2)cc1
290623545	ZINC000335186897	ref	6.21	-9.17	0	278.396	2.555	1	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)NCC3=CCOCC3)C2)C1
178304437	ZINC000237263980	ref	5.52	-39.11	1	351.472	1.359	1	3	4	C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(N2CCCS2(=O)=O)cc1C
303960029	ZINC000563541926	ref	6.05	-20.42	0	315.402	1.589	1	6	2	O=C(N[C@H]1CSc2ccccc21)[C@H]1CCc2nnnn2CC1
178304439	ZINC000237259544	ref	6.47	-65.87	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H](C[NH3+])C1CC1
214188082	ZINC000278490655	low	7.45	-42.66	1	302.418	2.291	2	2	5	CC(=O)NC[C@@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCO1
214188086	ZINC000278489242	ref	5.7	-42.42	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12
214188090	ZINC000278489242	mid	5.7	-40.16	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12
214188095	ZINC000278489659	ref	5.58	-13.28	0	307.357	3.117	1	5	3	C1=C(c2c[nH]c3ncccc23)CCN(c2nnc(C3CC3)o2)C1
214188099	ZINC000278489829	ref	6.76	-16.62	0	302.374	1.603	0	3	3	C[C@@H]1COCCN1C(=O)Cc1cccc(N2CCCC2=O)c1
214188103	ZINC000278490910	ref	4.06	-16.72	0	322.361	1.427	2	5	4	COC(=O)C[C@H]1CN(C(=O)N[C@@H](C)c2cccc(O)c2)CCO1
214188107	ZINC000278489117	ref	3.61	-17.74	0	305.334	1.192	2	4	4	COc1cc(C)cc(NC(=O)CN2CCC(=O)NC2=O)c1C
342597070	ZINC000590787807	ref	9.88	-36.09	1	272.352	1.37	1	4	4	O=c1n(CC[N@@H+]2CCC[C@H]2C2CC2)nc2ccccn12
282123256	ZINC000449154567	ref	6.58	-37.17	1	296.455	2.428	1	2	5	COCC1CCC([NH2+][C@@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1
219048273	ZINC000286548461	ref	5.59	-16.79	0	320.418	2.917	1	5	4	Cc1noc([C@H]2CCCN2C(=O)N[C@H](C)Cc2cccs2)n1
219048276	ZINC000286548387	ref	6.18	-11.61	0	305.294	1.43	1	8	5	COC(=O)c1cnc(NCc2cc(C)nn2C)c([N+](=O)[O-])c1
342597071	ZINC000590787807	mid	9.57	-36.62	1	272.352	1.37	1	4	4	O=c1n(CC[N@H+]2CCC[C@H]2C2CC2)nc2ccccn12
282123258	ZINC000449155469	ref	2.7	-7.02	0	273.361	2.422	1	5	4	COc1nccnc1CN[C@H]1CSc2ccccc21
219048278	ZINC000286546033	ref	10.84	-9.11	0	312.413	3.387	0	2	4	O=C1CN(C2CCCC2)C(=O)N1CC1CC(c2ccccc2)C1
342597072	ZINC000590787807	high	7.47	-11.58	0	272.352	1.37	0	5	4	O=c1n(CCN2CCC[C@H]2C2CC2)nc2ccccn12
219048281	ZINC000286548364	ref	2.47	-9.82	0	320.311	1.889	1	4	4	Cc1coc(C)c1C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F
214188087	ZINC000053526767	ref	9.11	-16.94	0	346.394	2.568	3	4	4	Cc1ccc2[nH]c(C)c(CC(=O)Nc3nc(-c4ccccn4)n[nH]3)c2c1
214188091	ZINC000053526767	high	8.95	-60.32	-1	346.394	2.568	2	4	4	Cc1ccc2[nH]c(C)c(CC(=O)Nc3nc(-c4ccccn4)n[n-]3)c2c1
219048283	ZINC000286545908	ref	5.56	-11.38	0	308.769	2.413	2	4	6	Cc1nnc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)[nH]1
219048284	ZINC000286545908	mid	5.07	-10.74	0	308.769	2.413	2	4	6	Cc1nc([C@H](C)NC(=O)CCOc2ccc(Cl)cc2)n[nH]1
214188094	ZINC000053521358	ref	6.81	-14.4	0	336.386	3.229	2	3	6	Cc1cc(C)n(CCCNC(=O)N[C@@H](C)c2ccc(F)cc2F)n1
214188101	ZINC000053551308	ref	1.95	-20.02	0	332.36	1.207	3	4	3	CCOC(=O)N[C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
219048293	ZINC000286548447	ref	5.56	-14.97	0	320.418	2.917	1	5	4	Cc1noc([C@@H]2CCCN2C(=O)N[C@@H](C)Cc2cccs2)n1
219048298	ZINC000286546946	ref	9.26	-15.74	0	306.343	3.132	0	6	5	CCOC(=O)Cc1sc(-c2ccccc2[N+](=O)[O-])nc1C
342597073	ZINC000590785832	ref	6.61	-9.68	0	283.331	1.674	1	3	2	Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(C3CC3)C2)c1
342597074	ZINC000194552988	ref	4.25	-13.59	0	283.328	1.81	1	4	4	Cc1ccc(CS(=O)(=O)Nc2ccnn2C)c(F)c1
342597075	ZINC000590786263	ref	7.16	-39.82	1	264.417	1.972	1	3	5	CC(C)[N@H+](C)CC1CCN(Cc2nccn2C)CC1
282123259	ZINC000248979210	ref	3.13	-11.25	0	313.419	1.688	1	4	7	C[C@H](COCc1ccccc1)NS(=O)(=O)[C@H]1CCO[C@@H]1C
365619775	ZINC000617365946	ref	3.89	-9.48	0	271.357	0.969	1	4	7	COC[C@@H](NC(=O)[C@@H](OC)C1CC1)C1CCOCC1
197595073	ZINC000290098531	ref	1.92	-9.99	0	266.272	2.198	1	5	4	COc1cc(-c2noc(CC(C)(C)O)n2)ccc1F
197595075	ZINC000290100165	ref	3.11	-55.48	1	262.309	1.331	2	3	5	CO[C@H](C[NH3+])C(=O)NCc1oc2ccccc2c1C
365619777	ZINC000617366405	ref	2.06	-12.25	0	284.356	0.023	1	4	5	COC[C@@H](NC(=O)C1CN(C(C)=O)C1)C1CCOCC1
365619781	ZINC000617366074	ref	-0.02	-9.67	0	280.324	0.959	2	5	5	COC[C@H](NC(=O)c1cncc(O)c1)C1CCOCC1
365619785	ZINC000617366074	mid	0.74	-45.65	-1	280.324	0.959	1	5	5	COC[C@H](NC(=O)c1cncc([O-])c1)C1CCOCC1
365619789	ZINC000617365293	ref	3.91	-8.11	0	294.351	0.766	1	5	6	COC[C@H](NC(=O)C(=O)c1cccn1C)C1CCOCC1
365619792	ZINC000617365358	ref	0.73	-6.38	0	259.346	0.561	2	4	6	COC[C@H](NC(=O)[C@@H](O)C(C)C)C1CCOCC1
365619797	ZINC000617366299	ref	2.72	-10.23	0	281.356	0.9	2	4	7	COC[C@@H](NC(=O)CCc1ncc[nH]1)C1CCOCC1
342597076	ZINC000590786263	mid	7.14	-39.62	1	264.417	1.972	1	3	5	CC(C)[N@@H+](C)CC1CCN(Cc2nccn2C)CC1
342597077	ZINC000590786263	mid	9.54	-98.18	2	264.417	1.972	2	2	5	CC(C)[N@H+](C)CC1CC[NH+](Cc2nccn2C)CC1
342597078	ZINC000590786263	mid	9.52	-97.5	2	264.417	1.972	2	2	5	CC(C)[N@@H+](C)CC1CC[NH+](Cc2nccn2C)CC1
197595077	ZINC000290100165	high	2.88	-11.57	0	262.309	1.331	2	4	5	CO[C@H](CN)C(=O)NCc1oc2ccccc2c1C
365619800	ZINC000617366299	low	3.19	-36.71	1	281.356	0.9	2	3	7	COC[C@@H](NC(=O)CCc1[nH]cc[nH+]1)C1CCOCC1
365619805	ZINC000617366150	ref	2.71	-7.39	0	265.313	0.648	1	5	5	COC[C@H](NC(=O)c1ccncn1)C1CCOCC1
365619808	ZINC000617366947	ref	-0.26	-9.05	0	272.345	0.056	2	4	7	COC[C@H](NC(=O)[C@@H](C)CC(N)=O)C1CCOCC1
290622843	ZINC000457680201	ref	6.38	-40.43	1	310.482	2.412	3	2	5	C[C@H]1CC[C@@](C)(C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1(C)C
365619812	ZINC000617366946	ref	-0.31	-9.0	0	272.345	0.056	2	4	7	COC[C@@H](NC(=O)[C@H](C)CC(N)=O)C1CCOCC1
342597079	ZINC000590786798	ref	8.79	-94.35	2	283.46	1.953	3	1	7	CC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597080	ZINC000590786798	mid	8.82	-92.34	2	283.46	1.953	3	1	7	CC[C@@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597081	ZINC000590786798	mid	6.66	-37.43	1	283.46	1.953	2	2	7	CC[C@@H](C)NC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
342597082	ZINC000590786798	mid	6.66	-36.13	1	283.46	1.953	2	2	7	CC[C@@H](C)NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
365619779	ZINC000625021338	ref	4.96	-19.07	0	314.389	2.47	2	4	4	CC(C)n1ncc2ccc(NC(=O)[C@H](C)[C@H]3CCC(=O)N3)cc21
365619784	ZINC000625023361	ref	4.98	-42.4	1	312.426	2.071	2	2	7	CC[N@@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C(F)(F)CC)C1
342080871	ZINC000625326627	ref	1.72	-11.68	0	279.402	1.147	1	4	8	CC[C@H](CS(=O)(=O)NCC[C@@H]1CCCOC1)OC
342080872	ZINC000625326670	ref	-1.12	-7.99	0	297.399	1.684	3	6	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
365619787	ZINC000625023361	mid	5.08	-42.43	1	312.426	2.071	2	2	7	CC[N@H+]1CC[C@@H](NS(=O)(=O)CC(C)(C)C(F)(F)CC)C1
342080873	ZINC000625326670	low	0.16	-45.42	1	297.399	1.684	3	5	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
342080874	ZINC000064934374	ref	4.0	-8.21	0	252.339	1.794	0	4	2	CC1(C)COCCN1C(=O)/C=C/c1cscn1
342080875	ZINC000625326315	ref	3.03	-7.86	0	296.333	1.802	2	2	6	COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
282123268	ZINC000151691041	ref	5.66	-14.54	0	323.396	2.078	3	4	7	C[C@@H](NC(=O)CNc1cccc(C#N)c1)[C@H](O)Cc1ccccc1
342080876	ZINC000625326315	mid	5.35	-40.83	1	296.333	1.802	2	2	6	COCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342080877	ZINC000625326315	high	3.03	-7.86	0	296.333	1.802	1	3	6	COCCN1CCC[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342080878	ZINC000625326224	ref	2.19	-6.42	0	251.33	1.852	1	5	5	C[C@@H](NCc1noc(C2CCC2)n1)[C@H]1CCOC1
342080879	ZINC000625326224	mid	3.31	-38.75	1	251.33	1.852	1	4	5	C[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H]1CCOC1
214190473	ZINC000337635821	ref	0.36	-23.11	0	286.357	-0.143	3	4	5	CS(=O)(=O)NC[C@H]1CCC[C@H]1NC(=O)c1cnc[nH]1
214190478	ZINC000337636854	ref	2.08	-14.93	0	266.288	0.682	2	3	8	CN(CCOCCO)C(=O)NCC1(C(F)F)CC1
214190482	ZINC000337636091	ref	6.6	-51.35	1	291.395	2.137	3	2	7	CCCCNC(=O)NC(=O)C[NH2+]C(C)(C)c1ccccc1
214190487	ZINC000337636091	high	5.51	-18.17	0	291.395	2.137	3	3	7	CCCCNC(=O)NC(=O)CNC(C)(C)c1ccccc1
214190496	ZINC000337634942	ref	7.51	-6.49	0	264.413	3.301	2	1	4	C[C@H]1CCC[C@@H](C)[C@@H]1NC(=O)NCC1(C2CC2)CC1
214190500	ZINC000337634372	ref	2.99	-8.68	0	290.232	2.051	2	2	6	C[C@@H](COCC(F)(F)F)NC(=O)NC1(C(F)F)CC1
214190504	ZINC000337633286	ref	4.4	-40.91	1	298.387	-0.419	2	3	7	C[NH+](C)CCOCCNC(=O)N1CCN(C2CC2)C(=O)C1
214190507	ZINC000337633286	high	1.92	-12.11	0	298.387	-0.419	1	4	7	CN(C)CCOCCNC(=O)N1CCN(C2CC2)C(=O)C1
214190511	ZINC000337636541	ref	3.39	-41.86	1	277.315	0.804	3	2	6	COCC[N@@H+]1CC[C@@H](NC(=O)NC2(C(F)F)CC2)C1
214190514	ZINC000337636541	mid	3.24	-41.55	1	277.315	0.804	3	2	6	COCC[N@H+]1CC[C@@H](NC(=O)NC2(C(F)F)CC2)C1
210256673	ZINC000272863563	ref	4.44	-8.79	0	324.421	2.031	2	4	9	COC[C@H](CNC(=O)N[C@H](C)COc1c(C)cccc1C)OC
342080880	ZINC000625326034	ref	4.14	-11.32	0	284.4	1.029	2	3	8	CCO[C@@H](C(=O)N[C@H]1CCC[N@H+](CCOC)C1)C1CC1
365619790	ZINC000625023361	mid	2.43	-8.02	0	312.426	2.071	1	3	7	CCN1CC[C@@H](NS(=O)(=O)CC(C)(C)C(F)(F)CC)C1
214188104	ZINC000053534349	ref	9.99	-12.91	0	344.455	4.265	2	2	3	C[C@H](NC(=S)N[C@H]1CCCOc2ccc(F)cc21)c1ccccc1
214188108	ZINC000053519228	ref	7.71	-11.64	0	330.359	2.807	1	3	4	CN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1COc2ccccc2O1
214188111	ZINC000053550882	ref	7.43	-21.15	0	344.378	2.502	2	6	5	NC(=O)c1ccc(CNc2ccc3nnc(-c4ccccc4)n3n2)cc1
342080881	ZINC000625326034	mid	6.41	-43.66	1	284.4	1.029	2	3	8	CCO[C@@H](C(=O)N[C@H]1CCC[N@@H+](CCOC)C1)C1CC1
214188115	ZINC000053527772	ref	8.67	-52.4	1	325.25	3.42	1	2	8	CCOCCC[NH2+]CCn1ccc2cc(Br)ccc21
342080882	ZINC000625326034	mid	4.14	-11.32	0	284.4	1.029	1	4	8	CCO[C@@H](C(=O)N[C@H]1CCCN(CCOC)C1)C1CC1
342080883	ZINC000625325958	ref	2.8	-12.18	0	299.392	1.878	1	4	8	C=C(C)CS(=O)(=O)NC[C@@H](OC)c1cccc(OC)c1
214188121	ZINC000053535257	ref	7.52	-47.39	1	328.279	3.422	1	3	5	Cc1ccsc1C[NH2+]CCn1nc(C)c(Br)c1C
398245843	ZINC000649443932	ref	6.13	-6.71	0	242.318	3.471	1	2	3	COc1c(C)cc(-c2ccc(CO)cc2)cc1C
398245848	ZINC000649443869	ref	5.98	-7.52	0	241.216	2.809	0	3	1	Cc1c(-c2cc(C(F)(F)F)ccn2)cnn1C
210256677	ZINC000272862394	ref	7.87	-17.63	0	317.414	3.142	1	5	3	Cn1c(C(=O)Nc2ncc(C3CCCCC3)s2)cccc1=O
210256682	ZINC000272862487	ref	7.93	-14.69	0	316.376	2.056	1	2	5	O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1C[C@H]1c1ccc(F)cc1
210256688	ZINC000272862169	ref	5.13	-7.25	0	303.387	3.42	1	5	4	Cc1csc(NC(=O)c2ccc(OC3CCCC3)nc2)n1
214188125	ZINC000053535257	high	6.16	-6.78	0	328.279	3.422	1	4	5	Cc1ccsc1CNCCn1nc(C)c(Br)c1C
214188129	ZINC000053522728	ref	9.04	-42.18	1	347.507	2.75	2	3	5	CN(Cc1cnn(C)c1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1
210256693	ZINC000272863586	ref	7.14	-41.02	1	302.418	1.885	3	2	6	C[C@](O)(CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1
342080884	ZINC000625326611	ref	4.08	-11.88	0	275.414	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)C[C@@H](OC)C1CC1
259308612	ZINC000250201785	ref	4.35	-39.14	1	249.314	1.53	2	4	6	C[C@H](c1ccco1)[N@H+](C)C[C@@H](O)Cn1cccn1
365619794	ZINC000625022786	ref	6.76	-19.95	0	320.776	2.366	1	3	3	CNC(=O)[C@@H]1CCCN1C(=O)Cc1coc2cc(Cl)ccc12
365619801	ZINC000625021422	ref	4.0	-9.41	0	306.328	2.275	2	2	2	O=C(NC[C@@H]1CCCC12CC2)N1CC[C@@](O)(C(F)(F)F)C1
365619804	ZINC000625020286	ref	6.6	-11.15	0	310.438	2.404	1	3	7	CCOCCO[C@H]1CCN(C(=O)NC[C@@H]2CCCC23CC3)C1
365619809	ZINC000625021339	ref	4.96	-18.78	0	314.389	2.47	2	4	4	CC(C)n1ncc2ccc(NC(=O)[C@@H](C)[C@@H]3CCC(=O)N3)cc21
365619811	ZINC000625022156	ref	3.61	-11.19	0	321.483	2.316	1	4	9	CCOC1(CS(=O)(=O)N[C@H](C)C[C@H](C)CC)CCOCC1
365619817	ZINC000625021341	ref	5.25	-19.46	0	314.389	2.47	2	4	4	CC(C)n1ncc2ccc(NC(=O)[C@@H](C)[C@H]3CCC(=O)N3)cc21
365619820	ZINC000625021978	ref	7.74	-10.28	0	318.425	2.33	1	6	9	CCOCCCn1c(-c2cn[nH]c2)nnc1N(C)[C@H](C)C1CC1
365619824	ZINC000625023317	ref	5.34	-22.46	0	300.28	2.114	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)c1cccc(C(F)F)c1F
343994172	ZINC000139348568	ref	4.49	-11.63	0	190.202	0.942	0	4	1	COc1ccc2c(=O)n(C)cnc2c1
365619827	ZINC000625021425	ref	3.96	-9.2	0	306.328	2.275	2	2	2	O=C(NC[C@H]1CCCC12CC2)N1CC[C@](O)(C(F)(F)F)C1
365619830	ZINC000625022839	ref	6.43	-20.89	0	307.353	2.494	2	3	4	O=C(Nc1ccncc1)c1cccc(NC(=O)C23CC(C2)C3)c1
365619836	ZINC000625021306	ref	5.42	-12.31	0	316.409	2.083	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@H]2CCC[C@@H]21
365619841	ZINC000625020114	ref	7.64	-12.58	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C)[C@@H]1C
299072302	ZINC000354601712	ref	-0.39	-23.96	0	344.356	0.562	2	7	4	NS(=O)(=O)c1ccc(C(=O)Nc2cccc(-n3ccnn3)c2)nc1
282123261	ZINC000449155469	low	3.86	-41.03	1	273.361	2.422	1	4	4	COc1nccnc1C[NH2+][C@H]1CSc2ccccc21
282123265	ZINC000449155276	ref	5.42	-10.5	0	288.391	2.13	2	3	7	COCCC1(CNC(=O)Cc2ccc3c(c2)NCC3)CC1
282123266	ZINC000449155411	ref	8.03	-86.64	2	297.487	2.105	3	1	7	C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1
342080885	ZINC000625326035	ref	4.2	-9.73	0	284.4	1.029	2	3	8	CCO[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)C1CC1
342080886	ZINC000625326035	mid	6.95	-43.87	1	284.4	1.029	2	3	8	CCO[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)C1CC1
342080887	ZINC000625326035	mid	4.2	-9.73	0	284.4	1.029	1	4	8	CCO[C@@H](C(=O)N[C@@H]1CCCN(CCOC)C1)C1CC1
342080888	ZINC000625326347	ref	3.37	-10.77	0	271.386	1.609	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cnc(C)n1C
214188114	ZINC000278490963	ref	4.93	-10.82	0	316.353	2.798	1	5	8	OCCc1ccccc1OCCCOc1ccc2c(c1)OCO2
214188118	ZINC000278490840	ref	7.63	-7.1	0	323.458	2.529	0	5	8	COCCSCCCN1CCc2ccccc2[C@H]1C(=O)OC
214188120	ZINC000278490840	low	10.03	-37.34	1	323.458	2.529	1	4	8	COCCSCCC[N@@H+]1CCc2ccccc2[C@H]1C(=O)OC
282123262	ZINC000355543088	ref	6.79	-14.01	0	322.771	2.432	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1c(Cl)ccc(F)c1C)CC2
306234468	ZINC000557853847	high	4.41	-9.87	0	337.42	1.945	0	4	3	C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
342597083	ZINC000590785377	ref	4.59	-11.98	0	295.289	1.851	2	3	4	CC(C)(NC(=O)C(=O)Nc1cccc(CC#N)c1)C(F)F
214188123	ZINC000278490840	low	9.69	-36.53	1	323.458	2.529	1	4	8	COCCSCCC[N@H+]1CCc2ccccc2[C@H]1C(=O)OC
178304441	ZINC000237247274	ref	5.72	-56.48	1	350.459	1.957	1	4	9	COc1cccc(CO[C@H](C)C(=O)N2CCC(OCCC[NH3+])CC2)c1
178304443	ZINC000237262600	ref	5.35	-69.15	1	365.861	1.76	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[C@@H]([NH3+])C2)CC1
178304446	ZINC000237259508	ref	4.24	-11.96	0	354.41	1.984	3	4	4	COc1cc(NC(=O)CNC(=O)N2CCc3ccccc3C2)ccc1N
178304449	ZINC000237258557	ref	6.6	-58.39	1	351.834	1.385	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CC[NH2+]CC1
197595078	ZINC000162825896	ref	9.16	-14.53	0	312.417	3.308	0	4	4	CC(C)C[C@H]1CCCCN1C(=O)c1cc(-n2cccn2)ccn1
214188126	ZINC000278490213	ref	1.06	-10.65	0	308.378	1.538	3	4	7	COCCc1ccccc1NC(=O)N[C@@]1(CCO)CCOC1
214188128	ZINC000278490215	ref	1.14	-10.96	0	308.378	1.538	3	4	7	COCCc1ccccc1NC(=O)N[C@]1(CCO)CCOC1
214188131	ZINC000278489168	ref	9.38	-43.55	1	324.494	2.067	1	5	8	COCCSCCC[N@@H+]1CCCN(c2ccc(C)nn2)CC1
214188133	ZINC000278489168	mid	9.36	-43.17	1	324.494	2.067	1	5	8	COCCSCCC[N@H+]1CCCN(c2ccc(C)nn2)CC1
214188134	ZINC000278489168	high	7.31	-10.41	0	324.494	2.067	0	6	8	COCCSCCCN1CCCN(c2ccc(C)nn2)CC1
214188137	ZINC000278489636	ref	10.01	-8.57	0	309.409	2.509	0	2	6	C#CCC(CC#C)C(=O)N1CCO[C@H](CCc2ccccc2)C1
214188142	ZINC000278489486	ref	7.17	-24.7	0	302.378	1.43	1	5	3	C[C@H]1CCCC[C@@H]1NC(=O)Cn1ccc(=O)c2cnn(C)c21
214188146	ZINC000278489236	ref	6.75	-11.93	0	302.422	3.123	1	3	2	O=C(NCc1cccnn1)N1CCCC2(CCCCC2)CC1
282123264	ZINC000248978220	ref	1.85	-13.09	0	324.421	1.143	3	4	9	Cc1ccc(CN(C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO)C2CC2)o1
210256697	ZINC000272863586	mid	7.08	-42.14	1	302.418	1.885	3	2	6	C[C@](O)(CC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)c1ccccc1
210256701	ZINC000272862277	ref	3.63	-20.53	0	324.446	2.284	2	3	8	C=CCS(=O)(=O)CCNC(=O)N[C@H](c1ccccc1)C(C)C
210256716	ZINC000272863618	ref	2.1	-9.95	0	313.423	1.476	1	4	5	Cc1ccnc(OC2CCN(S(=O)(=O)NC(C)C)CC2)c1
210256637	ZINC000000644995	mid	5.39	-49.2	-1	367.43	3.443	1	4	5	Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccncc3)cc2)cc1
210256639	ZINC000000645803	ref	7.21	-8.45	0	373.89	5.974	1	6	5	Clc1ccc2nc(SCc3csc(Nc4ccccc4)n3)oc2c1
210256644	ZINC000000643560	ref	8.31	-8.89	0	363.288	3.994	0	3	5	O=C(CN1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl
210256651	ZINC000000643560	low	10.58	-42.25	1	363.288	3.994	1	2	5	O=C(CN1CC[NH+](Cc2ccccc2)CC1)c1ccc(Cl)cc1Cl
210256656	ZINC000000642576	ref	7.38	-10.37	0	361.781	4.604	0	6	6	CCOC(=O)[C@H](C)Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1
210256664	ZINC000000642747	ref	6.0	-7.67	0	356.017	3.859	1	2	2	O=C(Nc1cccnc1)c1cc(Br)ccc1Br
342597084	ZINC000590786404	ref	7.58	-97.54	2	269.433	1.565	3	1	7	CCNC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597085	ZINC000590786404	mid	7.6	-98.37	2	269.433	1.565	3	1	7	CCNC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
210256669	ZINC000000645133	ref	2.44	-14.63	0	354.391	3.065	1	7	6	CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1
210256678	ZINC000000641802	ref	7.4	-38.67	-1	364.681	5.064	0	2	3	Cc1ccc(C)c([N-]S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
210256685	ZINC000000641802	mid	6.95	-6.69	0	364.681	5.064	1	2	3	Cc1ccc(C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1
214188130	ZINC000337631284	ref	7.93	-10.91	0	275.348	3.075	1	3	3	COC(=O)c1cc(NC(=O)[C@H]2CC2(C)C)cc(C)c1C
342597086	ZINC000590785068	ref	5.87	-12.78	0	271.32	1.56	1	3	2	CC1(C)CN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1
282123269	ZINC000248978220	mid	4.29	-37.72	1	324.421	1.143	3	4	9	Cc1ccc(CN(C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO)C2CC2)o1
201705201	ZINC000006903860	ref	10.89	-9.2	0	328.408	4.529	0	4	4	COc1ccc(C(=O)Oc2ccc(C(C)(C)C)cc2C)cc1OC
214188132	ZINC000337630139	ref	-0.33	-16.84	0	257.334	0.067	3	3	5	CC(=O)NCCNC(=O)N1CCC[C@H]1C[C@@H](C)O
342597087	ZINC000590785160	ref	6.75	-41.34	1	276.38	1.661	2	2	4	CCN(CC)C(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
282123270	ZINC000449155411	mid	8.11	-86.65	2	297.487	2.105	3	1	7	C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1
197595083	ZINC000162828563	ref	2.9	-18.75	0	319.336	1.688	3	4	4	Cc1cc(=O)n(C)cc1NC(=O)NC[C@@H](O)c1cccc(F)c1
282123272	ZINC000449155994	ref	7.41	-34.93	1	252.402	2.412	1	1	5	CC(C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1
282123276	ZINC000449155994	high	6.39	-7.7	0	252.402	2.412	1	2	5	CC(C)C[C@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1
365619803	ZINC000336540782	ref	7.56	-17.69	0	272.352	2.298	0	4	1	Cc1cn2ccnc(C(=O)N3C[C@@H](C)CC[C@H]3C)c2n1
365619807	ZINC000336540813	ref	5.01	-43.96	1	277.368	2.074	1	3	2	Cc1ncoc1C(=O)N1CC[NH+](C2CCCCC2)CC1
365619810	ZINC000336540813	mid	2.67	-7.89	0	277.368	2.074	0	4	2	Cc1ncoc1C(=O)N1CCN(C2CCCCC2)CC1
365619813	ZINC000336540491	ref	2.49	-11.61	0	272.439	2.103	0	4	2	Cc1nc(C)c(CN2CC[S@](=O)CC[C@H]2C)s1
365619816	ZINC000336540491	low	4.66	-50.1	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@H+]2CC[S@](=O)CC[C@H]2C)s1
365619818	ZINC000336540491	low	4.5	-50.41	1	272.439	2.103	1	3	2	Cc1nc(C)c(C[N@@H+]2CC[S@](=O)CC[C@H]2C)s1
365619822	ZINC000336540090	ref	7.83	-10.98	0	273.38	2.496	0	3	2	Cc1ncc2c(n1)CCN(C(=O)C[C@@H]1CC[C@H](C)C1)C2
342597088	ZINC000590785160	mid	6.75	-42.12	1	276.38	1.661	2	2	4	CCN(CC)C(=O)C[N@H+]1CCc2ccc(O)cc2CC1
365619825	ZINC000336540377	ref	5.62	-19.96	0	286.441	2.119	1	2	2	C[C@@H]1CC[S@@](=O)CCN1C(=O)NCC1(C)CCCC1
365619832	ZINC000336540054	ref	6.97	-46.96	1	290.407	2.125	2	2	3	C[NH+](C)Cc1cccc(C(=O)N2CCC[C@](C)(O)CC2)c1
342597089	ZINC000590785160	mid	4.97	-10.24	0	276.38	1.661	1	3	4	CCN(CC)C(=O)CN1CCc2ccc(O)cc2CC1
365619835	ZINC000336540054	high	4.5	-8.04	0	290.407	2.125	1	3	3	CN(C)Cc1cccc(C(=O)N2CCC[C@](C)(O)CC2)c1
365619838	ZINC000336540600	ref	5.18	-11.56	0	297.717	2.148	2	3	2	N#Cc1ccc(NC(=O)N2C[C@H](F)C[C@@H]2CO)cc1Cl
365619843	ZINC000336540225	ref	4.43	-7.92	0	279.287	2.259	0	4	1	Cc1nnc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H]2C)s1
365638686	ZINC000625086506	ref	1.66	-14.28	0	302.714	2.381	2	3	3	O=c1[nH]cccc1NS(=O)(=O)c1ccc(F)c(Cl)c1
282123281	ZINC000449154706	ref	6.52	-33.5	1	282.428	2.084	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]2OCC[C@@H]21
365638689	ZINC000625086506	high	3.66	-51.4	-1	302.714	2.381	1	3	3	O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1
282123283	ZINC000449154656	ref	6.1	-39.17	1	284.425	2.111	1	3	9	CCC[NH2+][C@H](C)C(=O)N(CCOC)Cc1cccs1
214188135	ZINC000337629720	ref	4.98	-9.61	0	297.37	2.033	1	3	8	CC(C)[C@@H](C(=O)N(C)CCOCCO)c1ccc(F)cc1
214188138	ZINC000337628644	ref	2.07	-12.1	0	286.332	-0.464	1	7	9	CN(CCOCCO)C(=O)CCc1nc(N(C)C)no1
282123271	ZINC000248978220	mid	1.85	-13.09	0	324.421	1.143	2	5	9	Cc1ccc(CN(C(=O)CN(C[C@@H](C)O)[C@H](C)CO)C2CC2)o1
346818855	ZINC000601317077	high	4.14	-7.3	0	277.412	2.009	0	4	3	N#CCCN1CCN(C2CCC3(CCCO3)CC2)CC1
282123273	ZINC000248979191	ref	1.47	-44.11	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@H](C)[C@H]2CO)cc1
214188141	ZINC000337629711	ref	-1.19	-25.29	0	272.326	-0.072	2	5	7	CN(CCOCCO)C(=O)c1cc(C(N)=O)cs1
282123277	ZINC000248979191	mid	1.85	-41.1	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H]2CO)cc1
282123280	ZINC000248980614	ref	7.56	-41.61	1	318.417	1.665	2	3	7	COC(=O)CNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1
214188144	ZINC000337630291	ref	3.99	-9.34	0	284.385	0.926	2	5	6	CCSCCCNC(=O)C(=O)Nc1cc(C)nn1C
299072303	ZINC000358088471	ref	0.5	-19.76	0	312.32	1.573	3	3	5	CNC(=O)Nc1cccc(NC(=O)C2CN(CC(F)F)C2)c1
214188150	ZINC000337630985	ref	5.37	-17.67	0	272.304	2.367	2	4	5	CCc1cccnc1NC(=O)COc1ccc(O)cc1
342080889	ZINC000625326173	ref	2.44	-7.95	0	290.429	1.534	1	3	7	C=CC(C)(C)CCNS(=O)(=O)N1CCC(OC)CC1
342080890	ZINC000625325875	ref	4.74	-20.37	0	282.25	1.487	1	5	6	O=C(COCC(F)F)Nc1cnccc1-n1cccn1
342080891	ZINC000625325875	mid	5.19	-43.01	1	282.25	1.487	1	4	6	O=C(COCC(F)F)Nc1c[nH+]ccc1-n1cccn1
136229347	ZINC000185000244	ref	7.64	-5.48	0	247.338	2.763	1	3	6	C=CC[C@@H](C)N[C@H](C(=O)OC)c1ccccc1C
136229348	ZINC000185000244	low	8.37	-32.27	1	247.338	2.763	1	2	6	C=CC[C@@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C
342080892	ZINC000625325957	ref	2.67	-12.89	0	299.392	1.878	1	4	8	C=C(C)CS(=O)(=O)NC[C@H](OC)c1cccc(OC)c1
214188155	ZINC000337628658	ref	4.34	-10.45	0	298.427	2.307	2	3	7	COCCOCCNC(=O)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1
214188158	ZINC000337629335	ref	4.0	-17.68	0	284.241	2.395	1	4	2	Cc1c(NC(=O)c2ccncc2C(F)(F)F)cnn1C
214188161	ZINC000337629525	ref	3.51	-17.63	0	294.351	0.123	2	4	9	COCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)COC
214188165	ZINC000337628985	ref	3.04	-22.46	0	280.332	0.236	3	5	5	Cc1cc(N(C)C)nc(NC(=O)N[C@H](C)CC(N)=O)n1
214188168	ZINC000337631334	ref	6.15	-25.9	0	284.356	0.703	1	4	5	CCOC(=O)CC(=O)N1CCC[C@@H](NC(=O)C(C)C)C1
365619814	ZINC000565279770	low	4.45	-37.88	1	269.308	1.803	2	3	4	CC(C)[C@@H](NC(=O)c1ccc(C#N)cn1)c1[nH]cc[nH+]1
365619821	ZINC000172795850	ref	7.79	-44.09	1	286.379	1.601	2	3	3	Cc1cccn2cc(CNC(=O)C3CC[NH+](C)CC3)nc12
185089415	ZINC000096076212	high	6.5	-10.9	0	292.383	0.605	0	5	1	CN1CCOC[C@]2(CCCN(C(=O)c3cn(C)cn3)C2)C1
210256691	ZINC000000642727	ref	10.82	-11.2	0	371.461	5.212	1	2	3	O=S(=O)(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1
210256696	ZINC000000642727	mid	10.84	-51.52	-1	371.461	5.212	0	2	3	O=S(=O)([N-]c1ccc2c(c1)Cc1ccccc1-2)c1ccc2ccccc2c1
197595093	ZINC000162827429	ref	7.07	-9.65	0	315.417	3.045	1	4	7	Cc1c(C(=O)NC[C@@H](C)Oc2ccccc2)cnn1CC(C)C
210256703	ZINC000000646258	ref	4.76	-7.3	0	360.238	3.774	2	3	2	O=C(Nc1ccc(F)cc1F)NC1(C(F)(F)F)Oc2ccccc2O1
210256708	ZINC000000642704	ref	6.26	-7.16	0	373.215	3.4	1	2	3	Cc1ccccc1NS(=O)(=O)c1ccc(I)cc1
210256717	ZINC000000642704	mid	6.32	-41.01	-1	373.215	3.4	0	2	3	Cc1ccccc1[N-]S(=O)(=O)c1ccc(I)cc1
178305494	ZINC000037491144	ref	6.89	-9.87	0	244.338	3.129	1	3	1	Cc1cc2ncn([C@H]3CCCC[C@@H]3O)c2cc1C
210256722	ZINC000000645425	ref	11.31	-7.18	0	350.509	4.25	0	6	5	CC[C@@H](C)OC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3
210256726	ZINC000000644477	ref	10.63	-12.52	0	373.364	3.715	0	5	4	COc1ccc(OC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
210256731	ZINC000000645165	ref	8.39	-16.82	0	359.842	3.437	1	6	6	O=C(CCSc1nnnn1-c1ccccc1)Nc1cccc(Cl)c1
342080893	ZINC000625326193	ref	3.88	-8.82	0	256.371	1.906	1	3	6	C=CC(C)(C)CCNS(=O)(=O)c1cccn1C
210256737	ZINC000000644520	ref	3.85	-44.0	-1	371.842	3.557	0	5	7	CCOc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1
342080894	ZINC000625326615	ref	1.05	-9.11	0	284.381	1.971	1	4	7	C=CC(C)(C)CCNS(=O)(=O)c1ccc(OC)nc1
342080895	ZINC000625325821	ref	5.95	-43.55	1	281.4	1.337	3	2	7	CCO[C@@H](C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1
342080896	ZINC000625325821	mid	6.02	-43.92	1	281.4	1.337	3	2	7	CCO[C@@H](C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1
342080897	ZINC000625325821	high	3.56	-7.68	0	281.4	1.337	2	3	7	CCO[C@@H](CN1CC[C@H](NC(=O)NC2CC2)C1)C1CC1
342080898	ZINC000625325842	ref	3.81	-39.64	1	256.39	1.243	3	2	4	CC(C)(C)CNC(=O)C[NH+]1CCC(C)(CO)CC1
214188136	ZINC000053548125	ref	5.55	-9.61	0	342.189	2.342	1	4	4	COC(=O)CCC(=O)N[C@H]1CCOc2ccc(Br)cc21
365619815	ZINC000617366079	ref	2.33	-9.41	0	279.34	0.956	1	5	5	COC[C@@H](NC(=O)c1cnnc(C)c1)C1CCOCC1
365619819	ZINC000617366415	ref	2.38	-7.59	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@@H]1CO[C@@H](C)C1)C1CCOCC1
365619823	ZINC000617365816	ref	0.69	-10.77	0	297.355	0.6	1	6	6	COC[C@@H](NC(=O)c1cc(OC)n(C)n1)C1CCOCC1
214188139	ZINC000053528949	ref	6.45	-10.29	0	349.45	2.785	1	3	4	O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)N1CCCCCC1
214188143	ZINC000053536549	ref	7.83	-8.06	0	339.414	3.883	1	3	6	Fc1ccc(CN(Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1
214188145	ZINC000053536549	low	10.09	-43.55	1	339.414	3.883	2	2	6	Fc1ccc(C[N@@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1
214188147	ZINC000053536549	low	10.04	-43.47	1	339.414	3.883	2	2	6	Fc1ccc(C[N@H+](Cc2nc3ccccc3[nH]2)C[C@@H]2CCCO2)cc1
214188149	ZINC000053536256	ref	7.25	-6.64	0	328.641	4.028	1	3	4	Cc1nn(CCNc2cccc(Br)c2)c(C)c1Cl
342597090	ZINC000590786884	ref	9.6	-93.6	2	281.444	1.659	2	1	6	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)C2CC2)CC1
365619826	ZINC000617364919	ref	3.73	-10.76	0	295.383	0.91	1	5	7	COC[C@@H](NC(=O)CCc1ccn(C)n1)C1CCOCC1
342597091	ZINC000590786884	mid	9.59	-95.71	2	281.444	1.659	2	1	6	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2CC2)CC1
185091457	ZINC000096081181	ref	7.05	-46.48	1	259.353	1.585	1	2	3	CCN1C(=O)C[C@@H]2[C@H]1CC[N@@H+]2Cc1cccc(C)n1
342597092	ZINC000590786884	mid	7.42	-37.03	1	281.444	1.659	1	2	6	CC(C)[N@H+](C)CC1CCN(CC(=O)N(C)C2CC2)CC1
214188153	ZINC000053548257	ref	8.66	-8.81	0	328.372	3.205	1	6	6	CCc1cc(NC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1
214188156	ZINC000053548257	low	8.93	-37.02	1	328.372	3.205	1	5	6	CCc1cc(NC[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1
214188159	ZINC000053524731	ref	6.87	-11.01	0	331.416	2.733	1	4	7	COc1ccccc1CN(C)C(=O)NC[C@@H](c1ccco1)N(C)C
214188163	ZINC000053524731	mid	9.45	-42.14	1	331.416	2.733	2	3	7	COc1ccccc1CN(C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C
342597093	ZINC000590786884	mid	7.41	-38.54	1	281.444	1.659	1	2	6	CC(C)[N@@H+](C)CC1CCN(CC(=O)N(C)C2CC2)CC1
214188167	ZINC000053527694	ref	7.01	-25.76	0	336.355	2.386	3	5	4	CC(=O)Nc1cc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)ccc1C
365619828	ZINC000172795850	low	8.24	-79.97	2	286.379	1.601	2	2	3	Cc1cccn2cc(CNC(=O)C3CC[NH+](C)CC3)[nH+]c12
214188148	ZINC000278490299	ref	9.8	-53.22	1	319.474	2.898	2	2	3	Cc1cccc(NC(=O)N2CC[NH+](C[C@H]3CCSC3)CC2)c1
214188151	ZINC000278490299	mid	7.8	-10.24	0	319.474	2.898	1	3	3	Cc1cccc(NC(=O)N2CCN(C[C@H]3CCSC3)CC2)c1
214188154	ZINC000278489136	ref	8.96	-16.23	0	324.424	2.659	1	3	4	Cc1cc(C)cc(C2(C(=O)NCc3ccc(C)n(C)c3=O)CC2)c1
343994174	ZINC000599273086	ref	7.38	-11.49	0	299.758	1.487	0	5	5	COC(=O)[C@@H](C)CN(C(=O)c1nn(C)cc1Cl)C1CC1
343994180	ZINC000599271253	ref	4.5	-46.64	1	296.411	1.559	2	4	6	C[N@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCCO1
365619833	ZINC000172795850	high	5.4	-12.46	0	286.379	1.601	1	4	3	Cc1cccn2cc(CNC(=O)C3CCN(C)CC3)nc12
214188160	ZINC000278489963	ref	5.26	-15.02	0	324.808	2.144	2	3	5	CC1(C)CC[C@@H](C(=O)NCCNC(=O)c2ccc(Cl)cc2)O1
282123691	ZINC000449156787	ref	7.55	-107.52	2	292.423	2.301	2	2	6	C[C@@H](Cc1ccoc1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1
342080899	ZINC000625325842	mid	1.67	-9.15	0	256.39	1.243	2	3	4	CC(C)(C)CNC(=O)CN1CCC(C)(CO)CC1
342080900	ZINC000625325909	ref	2.76	-11.06	0	299.392	1.855	1	4	7	COc1cccc([C@@H](CNS(=O)(=O)C2(C)CC2)OC)c1
342080901	ZINC000625325829	ref	1.75	-9.58	0	273.358	1.276	2	5	6	C=CC(C)(C)CCNS(=O)(=O)c1c(N)noc1C
214188162	ZINC000278489157	ref	2.46	-8.22	0	306.41	2.153	2	5	3	CC(C)(C)OC(=O)N[C@@H]1CCCN(Cc2ccnc(N)c2)C1
214188164	ZINC000278489157	mid	5.05	-47.28	1	306.41	2.153	3	4	3	CC(C)(C)OC(=O)N[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)C1
214188166	ZINC000278489157	mid	5.66	-47.99	1	306.41	2.153	3	4	3	CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)C1
214188171	ZINC000278489835	ref	7.58	-17.8	0	304.379	2.594	0	8	3	Cc1nc([C@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)no1
214188174	ZINC000278489936	ref	9.33	-17.24	0	311.336	2.487	0	5	5	CC(C)Cn1ncc(C(=O)N(C)c2nccn2C)c1C(F)F
214188177	ZINC000278489986	ref	8.14	-64.35	1	320.458	2.009	1	3	7	O=C1C[C@H]([NH2+]C[C@H]2CCSC2)CN1CCOc1ccccc1
214188181	ZINC000278489150	ref	4.96	-42.52	1	302.296	2.762	1	3	6	FC(F)(F)c1cccc(OCC[NH2+]C[C@@H]2CCC=CO2)n1
214188184	ZINC000278489733	ref	4.52	-24.96	0	313.419	2.321	1	4	6	COc1cc(C)c(NC(=O)CS(=O)(=O)CC(C)C)cc1C
214188187	ZINC000278489102	ref	3.37	-15.27	0	305.378	2.102	3	3	3	COc1cc(C)cc(NC(=O)N[C@H]2CCCCNC2=O)c1C
398245851	ZINC000651431196	mid	4.75	-7.49	0	288.366	3.219	1	3	3	C[C@@H](CO)C1CCN(c2ccnc3cc(F)ccc23)CC1
192339905	ZINC000421441971	ref	7.94	-7.56	0	249.329	3.587	1	1	2	Cc1c(F)cccc1C(=O)NC1(C)CCCCC1
398245853	ZINC000651443900	ref	5.96	-6.02	0	262.353	3.4	0	4	2	CC1(C)C[C@H](c2noc([C@@H]3CC34CCC4)n2)CCO1
210256744	ZINC000000644520	mid	3.81	-9.48	0	371.842	3.557	1	5	7	CCOc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1
214188170	ZINC000053527694	mid	7.03	-21.53	0	336.355	2.386	3	5	4	CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccn3)n[nH]2)ccc1C
214188173	ZINC000053527694	high	6.94	-70.54	-1	336.355	2.386	2	5	4	CC(=O)Nc1cc(C(=O)Nc2nnc(-c3ccccn3)[n-]2)ccc1C
136229349	ZINC000195248345	ref	6.07	-50.14	1	238.375	1.881	1	1	3	CC(C)(C)CCCC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
214188175	ZINC000053527694	high	6.85	-71.51	-1	336.355	2.386	2	5	4	CC(=O)Nc1cc(C(=O)Nc2nc(-c3ccccn3)n[n-]2)ccc1C
342080902	ZINC000625325829	mid	1.68	-40.52	-1	273.358	1.276	2	4	6	C=CC(C)(C)CCNS(=O)(=O)c1c(C)o[n-]c1=N
214188179	ZINC000053527694	high	6.84	-71.64	-1	336.355	2.386	2	5	4	CC(=O)Nc1cc(C(=O)Nc2n[n-]c(-c3ccccn3)n2)ccc1C
197595106	ZINC000290098775	ref	4.75	-12.15	0	281.377	1.458	1	4	4	O=C(NCCc1cccs1)[C@@H]1OC[C@@H]2COCC[C@H]21
197595108	ZINC000290098753	ref	4.46	-45.61	1	284.306	2.3	2	2	4	CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cc(F)c(OC)cc1F
197595109	ZINC000290099613	ref	3.07	-16.29	0	292.339	1.719	0	7	4	CC[C@](C)(OC)c1noc(-c2c(C)c(C)nn(C)c2=O)n1
210256640	ZINC000019523617	mid	7.69	-38.99	1	396.491	2.613	1	5	5	CCc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3cc(OC)ccc3n2C)CC1
214188183	ZINC000053534345	ref	10.52	-8.49	0	344.455	4.265	2	2	3	C[C@@H](NC(=S)N[C@@H]1CCCOc2ccc(F)cc21)c1ccccc1
259308614	ZINC000250201785	mid	4.66	-42.74	1	249.314	1.53	2	4	6	C[C@H](c1ccco1)[N@@H+](C)C[C@@H](O)Cn1cccn1
136229350	ZINC000293325377	ref	3.02	-7.84	0	221.247	1.427	1	2	6	C=CCC(F)(F)C(=O)N(C)CC[C@H](C)O
342080903	ZINC000625325829	mid	1.37	-37.41	-1	273.358	1.276	1	5	6	C=CC(C)(C)CC[N-]S(=O)(=O)c1c(N)noc1C
342080904	ZINC000625325824	ref	5.71	-43.82	1	281.4	1.337	3	2	7	CCO[C@H](C[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1
342080905	ZINC000625325824	mid	5.76	-43.45	1	281.4	1.337	3	2	7	CCO[C@H](C[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1
342080906	ZINC000625325824	high	3.26	-8.16	0	281.4	1.337	2	3	7	CCO[C@H](CN1CC[C@@H](NC(=O)NC2CC2)C1)C1CC1
343994175	ZINC000129385056	ref	5.33	-45.76	1	232.327	2.264	1	1	2	CC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)c2ccccc21
343994177	ZINC000129385056	high	5.02	-7.72	0	232.327	2.264	1	2	2	CC[C@@H](N)C(=O)N1CC[C@@H](C)c2ccccc21
290622844	ZINC000338482270	ref	-2.33	-16.51	0	318.424	0.061	2	6	3	CNC(=O)[C@]1(C)CCN(c2nc(C)c(S(N)(=O)=O)s2)C1
365619829	ZINC000354675502	ref	8.09	-44.11	1	285.395	1.941	2	4	6	Cc1nc(-c2ccncc2)nc(NCCC[NH+](C)C)c1C
365619834	ZINC000354675502	low	8.42	-81.09	2	285.395	1.941	2	3	6	Cc1[nH+]c(-c2ccncc2)nc(NCCC[NH+](C)C)c1C
290622847	ZINC000450500421	ref	5.78	-12.29	0	313.405	1.658	1	5	3	CNC(=O)[C@]1(C)CCN(c2nc(N(C)C)c3ccccc3n2)C1
342080907	ZINC000625325810	ref	2.39	-12.21	0	293.429	1.395	1	4	9	CCOC[C@@H](C)CS(=O)(=O)NCC[C@H]1CCCOC1
342080908	ZINC000625325812	ref	2.38	-12.15	0	293.429	1.395	1	4	9	CCOC[C@H](C)CS(=O)(=O)NCC[C@H]1CCCOC1
365619840	ZINC000354675052	ref	8.83	-24.32	0	282.303	1.271	2	5	4	O=C(Nc1nnc2ccccn12)[C@H](O)Cc1ccccc1
365619847	ZINC000354673608	ref	4.13	-21.18	0	297.351	1.426	1	3	5	O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CC[S@](=O)C1
365619852	ZINC000354675728	ref	4.79	-14.9	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1C[C@H]1c1cc(F)ccc1F
365619858	ZINC000354674802	ref	3.93	-13.02	0	289.416	1.539	1	4	10	CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@@H](C)C(C)C
365619867	ZINC000354673820	ref	4.72	-45.75	1	257.374	1.715	2	3	6	COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)O)[C@H]1C
365619873	ZINC000354675739	ref	4.87	-16.65	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@@H]1C[C@H]1c1cc(F)ccc1F
342080909	ZINC000625326629	ref	1.71	-11.91	0	279.402	1.147	1	4	8	CC[C@H](CS(=O)(=O)NCC[C@H]1CCCOC1)OC
365619878	ZINC000354675746	ref	4.74	-41.57	1	266.341	1.448	1	4	7	COC[C@](C)(CC(=O)OC)[NH2+]Cc1cnccc1C
365619881	ZINC000354675746	mid	3.47	-5.83	0	266.341	1.448	1	5	7	COC[C@](C)(CC(=O)OC)NCc1cnccc1C
342080910	ZINC000625325854	ref	4.72	-45.56	1	276.446	1.85	2	2	10	C=CC(C)(C)CCNS(=O)(=O)CC[NH+](CC)CC
230744944	ZINC000450490815	ref	5.63	-10.9	0	307.39	1.987	2	4	8	COc1ccccc1OC[C@H](C)CNC(=O)[C@H](O)C1CCC1
282123279	ZINC000151690999	ref	5.17	-12.56	0	323.396	2.078	3	4	7	C[C@H](NC(=O)CNc1cccc(C#N)c1)[C@H](O)Cc1ccccc1
168366197	ZINC000044410409	ref	4.38	-47.95	1	186.258	2.125	1	1	2	C[C@@H]([NH3+])Cc1cnc2ccccc2c1
343994181	ZINC000625559307	ref	2.36	-9.57	0	229.301	1.751	1	3	4	C/C=C\CNS(=O)(=O)c1cc(C)oc1C
365619885	ZINC000354675651	ref	4.73	-16.18	0	283.368	1.956	1	2	4	C[C@H](CC(=O)N[C@@H]1CC[S@](=O)C1)c1cccc(F)c1
210256647	ZINC000019525992	ref	9.78	-14.33	0	377.448	4.309	1	6	5	CCCn1c(C)cc2cc(NC(=O)c3cc(-c4cnn(C)c4C)on3)ccc21
210256652	ZINC000019527168	ref	11.2	-37.03	1	380.54	2.958	1	5	8	CC[N@@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1
214188176	ZINC000337629968	ref	11.89	-101.19	2	272.436	3.37	2	0	4	C[C@H]1CC[N@H+](Cc2ccccc2C[NH+]2CC[C@@H](C)C2)C1
210256659	ZINC000019527168	mid	10.78	-40.52	1	380.54	2.958	1	5	8	CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1
178304451	ZINC000237258557	mid	4.93	-18.52	0	351.834	1.385	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCNCC1
178304453	ZINC000237248156	ref	3.74	-62.51	1	371.478	1.612	2	3	7	CN(CCCC(=O)NC1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1
178304457	ZINC000237258284	ref	4.43	-51.07	1	353.488	1.964	2	3	6	C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
178304460	ZINC000237245879	ref	5.76	-55.6	1	355.438	1.834	3	3	10	COCC[NH2+]CC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
210256662	ZINC000019527168	high	10.75	-8.05	0	380.54	2.958	0	6	8	CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1
210256668	ZINC000019524811	ref	8.97	-56.56	1	382.483	3.774	2	3	7	CCn1cc([C@@H](NC(=O)[C@H]([NH3+])CC(C)C)c2ccc(F)cc2)c2ccncc21
210256672	ZINC000019524811	high	8.46	-14.92	0	382.483	3.774	2	4	7	CCn1cc([C@@H](NC(=O)[C@H](N)CC(C)C)c2ccc(F)cc2)c2ccncc21
214188178	ZINC000337629968	mid	12.0	-102.41	2	272.436	3.37	2	0	4	C[C@H]1CC[N@@H+](Cc2ccccc2C[NH+]2CC[C@@H](C)C2)C1
210256676	ZINC000019522350	ref	8.22	-10.89	0	375.398	4.043	0	5	4	CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN3Cc3ccncc3)cc2n1
210256681	ZINC000019522350	low	10.86	-40.06	1	375.398	4.043	1	4	4	CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@@H+]3Cc3ccncc3)cc2n1
178304464	ZINC000237245879	mid	4.42	-19.03	0	355.438	1.834	3	4	10	COCCNCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1
178304467	ZINC000237263574	ref	5.29	-40.54	1	369.462	1.434	1	3	5	C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1
178304470	ZINC000237263270	ref	9.93	-67.52	-1	369.421	1.984	0	6	4	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1
136229351	ZINC000293016698	ref	6.41	-10.33	0	242.388	2.347	1	2	4	C=C(C)CNC(=O)N1CCC[C@@H](CSC)C1
343994176	ZINC000139338713	ref	3.5	-3.04	0	141.214	1.242	1	1	1	C/C=C(\C)[NH+]1CCOCC1
342597094	ZINC000616976776	ref	4.96	-7.94	0	250.346	1.557	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2n[nH]nc2C1
282123282	ZINC000338137369	ref	4.9	-13.28	0	348.487	3.313	3	3	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCO[C@H]1c1ccc(C)cc1
342597095	ZINC000616976776	mid	5.03	-10.69	0	250.346	1.557	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2[nH]nnc2C1
342597096	ZINC000616976776	mid	5.03	-11.12	0	250.346	1.557	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2nn[nH]c2C1
342597097	ZINC000590786465	ref	9.11	-94.29	2	269.433	1.517	2	1	6	CCN(C)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
299072304	ZINC000354603235	ref	4.35	-16.18	0	349.435	0.735	1	6	7	O=C(NCCCn1ccnn1)C(=O)N(C[C@H]1CCCO1)C1CCCC1
299072307	ZINC000354603485	ref	2.34	-20.5	0	336.388	0.31	2	5	7	COCCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)c1
365619831	ZINC000617366486	ref	4.06	-9.32	0	293.367	0.967	1	5	7	COC[C@@H](NC(=O)CCc1ccncn1)C1CCOCC1
365619839	ZINC000617364889	ref	3.47	-13.06	0	295.383	0.829	1	5	6	COC[C@@H](NC(=O)Cc1cnn(C)c1C)C1CCOCC1
342597098	ZINC000590786465	mid	9.12	-92.22	2	269.433	1.517	2	1	6	CCN(C)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
365619842	ZINC000617365469	ref	1.76	-9.18	0	282.344	0.469	1	6	6	CCn1nncc1C(=O)N[C@H](COC)C1CCOCC1
342597099	ZINC000590786465	mid	6.95	-38.26	1	269.433	1.517	1	2	6	CCN(C)C(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
365619848	ZINC000617366374	ref	2.71	-12.6	0	279.34	0.956	1	5	5	COC[C@H](NC(=O)c1nccc(C)n1)C1CCOCC1
365619851	ZINC000617366313	ref	-1.05	-9.07	0	298.339	0.992	1	6	7	COCc1nc(C(=O)N[C@H](COC)C2CCOCC2)co1
365619856	ZINC000617366554	ref	3.61	-10.27	0	295.383	0.91	1	5	7	COC[C@@H](NC(=O)CCc1ccnn1C)C1CCOCC1
365619861	ZINC000617366958	ref	5.21	-11.57	0	295.383	0.91	1	5	7	COC[C@H](NC(=O)CCc1cncn1C)C1CCOCC1
365619864	ZINC000617366958	low	5.73	-38.23	1	295.383	0.91	1	4	7	COC[C@H](NC(=O)CCc1c[nH+]cn1C)C1CCOCC1
282123293	ZINC000357288125	ref	6.42	-39.47	1	349.519	3.084	4	2	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C
365619869	ZINC000617365706	ref	3.35	-14.09	0	281.356	0.818	2	4	6	COC[C@H](NC(=O)Cc1[nH]cnc1C)C1CCOCC1
342597100	ZINC000590786465	mid	6.97	-36.77	1	269.433	1.517	1	2	6	CCN(C)C(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
342597101	ZINC000590785337	ref	6.06	-42.29	1	290.407	1.953	3	2	4	CC(C)[C@@H](C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
342597102	ZINC000590785337	mid	6.06	-43.27	1	290.407	1.953	3	2	4	CC(C)[C@@H](C)NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
136229352	ZINC000293339584	ref	5.65	-4.06	0	228.242	3.246	0	3	6	C=CCC(F)(F)c1nc(CCC(=C)C)no1
214188180	ZINC000337629968	mid	11.89	-101.19	2	272.436	3.37	2	0	4	C[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@@H](C)C2)C1
365619837	ZINC000172794706	ref	4.76	-13.59	0	264.325	1.455	1	4	3	Cc1cc(CC(=O)N[C@H]2[C@H]3CCO[C@@H]3C2(C)C)no1
365619844	ZINC000643086384	ref	6.88	-17.2	0	289.379	1.447	0	3	4	CN(CC(=O)N1CCCC1)C(=O)c1ccc(N(C)C)cc1
365619850	ZINC000172800140	ref	2.54	-12.31	0	283.397	1.051	0	5	4	Cc1nc(C)c(CN(C)CC(=O)N2CCOCC2)s1
343994178	ZINC000139338713	mid	3.5	-3.04	0	141.214	1.242	0	2	1	C/C=C(\C)N1CCOCC1
342080911	ZINC000625325854	mid	2.59	-9.15	0	276.446	1.85	1	3	10	C=CC(C)(C)CCNS(=O)(=O)CCN(CC)CC
346818857	ZINC000611566056	low	6.4	-38.31	1	279.409	1.858	2	2	6	C=CCSCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1
342080912	ZINC000625326734	ref	5.7	-49.18	1	294.399	1.052	2	4	6	CCn1cc(C(=O)N[C@H]2CCC[N@H+](CCOC)C2)c(C)n1
342080913	ZINC000625326734	mid	5.18	-48.43	1	294.399	1.052	2	4	6	CCn1cc(C(=O)N[C@H]2CCC[N@@H+](CCOC)C2)c(C)n1
346818862	ZINC000611566056	low	6.41	-38.38	1	279.409	1.858	2	2	6	C=CCSCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1
398245854	ZINC000649444102	ref	3.3	-7.43	0	214.211	2.813	1	2	4	C=C(C)c1cc(CO)ccc1OC(F)F
412491614	ZINC000613753229	low	3.7	-45.58	1	323.397	-0.247	2	6	7	COC[C@H](OC)C(=O)N1CC[C@H]([N@H+](C)Cc2nccc(N)n2)C1
214188182	ZINC000337629968	mid	11.92	-102.77	2	272.436	3.37	2	0	4	C[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@@H](C)C2)C1
214188185	ZINC000337628931	ref	4.75	-9.75	0	298.427	2.307	2	3	7	COCCOCCNC(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1
214188188	ZINC000337630176	ref	8.17	-12.5	0	279.388	2.407	2	4	5	CC[C@@H](C)[C@@H](C)NC(=O)Nc1nc(C)cc(N(C)C)n1
214188191	ZINC000337630446	ref	-1.14	-8.8	0	274.361	0.5	3	4	9	COC[C@@H](CCO)NC(=O)NCC1(COC)CCC1
214188195	ZINC000337630447	ref	-1.14	-8.89	0	274.361	0.5	3	4	9	COC[C@H](CCO)NC(=O)NCC1(COC)CCC1
214188198	ZINC000337629944	ref	0.77	-8.21	0	262.35	0.452	2	4	10	CC[C@H](COC)NC(=O)N(CC)CCOCCO
214188207	ZINC000337629442	ref	8.89	-12.66	0	277.372	2.113	1	4	2	Cc1cc(N(C)C)nc(NC(=O)N2C[C@@H](C)C[C@H]2C)n1
214188210	ZINC000337628802	ref	0.78	-14.29	0	260.334	0.063	2	4	8	CCN(CCOCCO)C(=O)NCC1(C)COC1
214188212	ZINC000337631905	ref	1.21	-11.1	0	271.317	0.442	2	5	7	Cc1noc(C)c1CNC(=O)N(C)CCOCCO
214188215	ZINC000337630128	ref	8.03	-11.17	0	258.321	3.36	1	3	4	CCc1cc(C)c(C(=O)Nc2ncccc2CC)o1
365619845	ZINC000625023109	ref	6.98	-10.86	0	318.425	2.497	1	6	10	C=C(C)CN(CC)c1nnc(-c2cn[nH]c2)n1CCCOCC
210256683	ZINC000019522350	low	10.46	-38.83	1	375.398	4.043	1	4	4	CCc1cc(C(F)(F)F)n2nc([C@H]3CCC[N@H+]3Cc3ccncc3)cc2n1
210256687	ZINC000019526874	ref	7.11	-20.66	0	399.495	0.956	0	5	3	CCN1C[C@H](C(=O)N2CCC(c3ncc4c(n3)CCN(C(C)=O)C4)CC2)CC1=O
214188186	ZINC000053527276	ref	4.36	-13.72	0	328.21	1.727	2	2	5	CC(=O)NCCNC(=O)N(C)Cc1ccc(Br)cc1
342080914	ZINC000625326734	mid	2.89	-14.75	0	294.399	1.052	1	5	6	CCn1cc(C(=O)N[C@H]2CCCN(CCOC)C2)c(C)n1
365619849	ZINC000625021450	ref	6.61	-10.86	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)C[C@@H]1C
342080915	ZINC000625326631	ref	3.59	-12.5	0	294.38	1.934	0	7	5	Cc1noc(C)c1CO[C@@H]1CCN(Cc2cnns2)C1
214188189	ZINC000053547435	ref	8.15	-19.14	0	338.436	3.904	1	5	3	Cc1ncsc1C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1
214188193	ZINC000053547435	low	8.57	-36.62	1	338.436	3.904	1	4	3	Cc1ncsc1C(=O)Nc1cccc(-c2cn3c([nH+]2)CCCC3)c1
210256692	ZINC000019523605	ref	6.94	-13.28	0	397.475	2.284	1	6	5	CCc1nccn1CC1(O)CCN(C(=O)C2=Cc3cc(OC)ccc3OC2)CC1
210256698	ZINC000019523605	mid	6.83	-38.82	1	397.475	2.284	1	5	5	CCc1[nH+]ccn1CC1(O)CCN(C(=O)C2=Cc3cc(OC)ccc3OC2)CC1
210256705	ZINC000019524647	ref	1.31	-20.6	0	393.494	2.849	0	8	5	CCn1cc(S(=O)(=O)N2CCC[C@@H]2c2nnc(-c3cccs3)o2)c(C)n1
210256720	ZINC000019523052	ref	11.42	-22.77	0	396.491	3.268	1	5	7	CCc1ccccc1Nc1noc2c1CN(C(=O)CCCN1CCCC1=O)CC2
210256723	ZINC000019524086	ref	10.7	-42.21	1	381.524	2.913	1	4	5	CCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CC[NH+](C)CC1)CCCC2
210256729	ZINC000019524086	high	8.04	-8.85	0	381.524	2.913	0	5	5	CCn1nc2c(c1C(=O)N(Cc1cccnc1)C1CCN(C)CC1)CCCC2
290622841	ZINC000492525688	ref	7.96	-40.18	1	264.394	2.171	1	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)/C=C\c2ccsc2)C1
210256707	ZINC000004710609	ref	4.98	-52.57	-1	336.376	3.556	2	6	2	Oc1ccc(-c2n[n-]c(=S)n2-c2cccc3ncccc23)c(O)c1
210256709	ZINC000004710609	mid	5.14	-14.96	0	336.376	3.556	3	6	2	Oc1ccc(-c2n[nH]c(=S)n2-c2cccc3ncccc23)c(O)c1
323004695	ZINC000449667530	ref	6.11	-6.98	0	241.356	2.486	1	4	5	Cc1ccsc1CN[C@@H](C)C(=O)OC(C)C
214188192	ZINC000278489869	ref	6.43	-5.95	0	312.207	2.912	1	2	2	Cc1cc(Br)cc(C(=O)N[C@H]2CCOC[C@H]2C)c1
342080916	ZINC000625326631	low	5.98	-53.17	1	294.38	1.934	1	6	5	Cc1noc(C)c1CO[C@@H]1CC[N@H+](Cc2cnns2)C1
342080917	ZINC000625326631	low	6.06	-53.65	1	294.38	1.934	1	6	5	Cc1noc(C)c1CO[C@@H]1CC[N@@H+](Cc2cnns2)C1
214188194	ZINC000278490015	ref	5.59	-12.01	0	305.359	2.899	0	7	3	CC(C)(C)c1cc(Cn2nc(-c3cccs3)oc2=O)no1
214188197	ZINC000278490437	ref	4.18	-10.98	0	309.357	2.962	2	3	6	CC[C@H](C)[C@@H](NC(=O)NCCc1nccs1)C(F)(F)F
214188199	ZINC000278490943	ref	3.3	-24.92	0	323.386	1.354	0	3	2	C[C@@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[S@@](=O)C1
342080918	ZINC000625326659	ref	2.93	-15.83	0	288.413	1.417	1	3	5	C=CC(C)(C)CCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1
214188203	ZINC000278489950	ref	0.0	-9.1	0	303.318	2.23	2	6	5	COc1ccc(C(=O)Nc2ccc(O)cc2OC(C)C)nn1
214188205	ZINC000278490657	ref	5.35	-8.08	0	302.418	2.291	1	3	5	CC(=O)NC[C@H]1CN(Cc2ccc(C3CCC3)cc2)CCO1
214188208	ZINC000278490657	low	7.09	-44.89	1	302.418	2.291	2	2	5	CC(=O)NC[C@H]1C[N@H+](Cc2ccc(C3CCC3)cc2)CCO1
214188211	ZINC000278490657	low	7.61	-44.77	1	302.418	2.291	2	2	5	CC(=O)NC[C@H]1C[N@@H+](Cc2ccc(C3CCC3)cc2)CCO1
214188213	ZINC000278490108	ref	7.98	-11.89	0	301.306	1.627	0	8	3	CC(C)(C)c1cc(Cn2c(-c3ncccn3)noc2=O)no1
214188216	ZINC000278490459	ref	5.71	-8.38	0	314.36	2.49	2	3	4	O=C(N[C@H](CO)c1ccc(F)cc1)[C@H]1CCCc2cccnc21
214188219	ZINC000278491069	ref	6.19	-45.22	1	324.38	1.914	2	3	6	Cc1cccc([C@H](O)C[NH2+]CCN2C(=O)c3ccccc3C2=O)c1
214188221	ZINC000278491069	high	4.85	-10.55	0	324.38	1.914	2	4	6	Cc1cccc([C@H](O)CNCCN2C(=O)c3ccccc3C2=O)c1
290622845	ZINC000492525933	ref	6.3	-16.72	0	298.367	2.293	1	3	4	O=C(/C=C\c1ccsc1)N[C@H]1CN(c2ccccc2)C1=O
342080919	ZINC000625325834	ref	2.94	-11.55	0	275.414	1.935	1	3	8	C=CC(C)(C)CCNS(=O)(=O)CC[C@H]1CCOC1
342080920	ZINC000625325855	ref	2.56	-11.26	0	263.403	1.933	1	3	8	C=CC(C)(C)CCNS(=O)(=O)CC(C)(C)OC
214188226	ZINC000278489635	ref	10.12	-8.54	0	309.409	2.509	0	2	6	C#CCC(CC#C)C(=O)N1CCO[C@@H](CCc2ccccc2)C1
342080921	ZINC000625326097	ref	2.32	-34.63	1	282.771	1.562	1	4	2	Oc1ccc(Cl)c(CN2CCN3CCOC[C@@H]3C2)c1
168364944	ZINC000368498453	ref	12.11	-39.21	1	349.478	3.234	1	2	5	C[N@H+](CCc1ccccn1)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O
342597103	ZINC000590785337	mid	4.0	-9.82	0	290.407	1.953	2	3	4	CC(C)[C@@H](C)NC(=O)CN1CCc2ccc(O)cc2CC1
365619846	ZINC000623044146	ref	2.3	-14.16	0	309.362	1.229	3	5	8	COc1cc(CCCNC(=O)[C@@H](O)C2CC2)cc(OC)c1O
214188196	ZINC000053542635	ref	5.84	-11.79	0	348.443	2.357	1	4	4	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CCC(=O)N1CCOCC1
214188200	ZINC000053526579	ref	6.16	-20.87	0	345.468	2.634	3	3	5	C=C(C)CNC(=S)Nc1ccc([C@@]2(CC)CCC(=O)NC2=O)cc1
365619854	ZINC000623042880	ref	7.76	-18.02	0	306.387	1.286	0	4	4	C[C@H](C(=O)N1CC(Cc2ccsc2)C1)N1C(=O)CCC1=O
214188202	ZINC000053529909	ref	6.95	-51.86	1	340.221	1.785	1	4	7	CCOCC[NH2+]CCn1cnc2ccc(Br)cc2c1=O
214188206	ZINC000053529909	high	5.61	-10.57	0	340.221	1.785	1	5	7	CCOCCNCCn1cnc2ccc(Br)cc2c1=O
214188209	ZINC000053542240	ref	7.7	-14.23	0	349.387	1.799	1	5	6	Cc1cc(OCC(=O)N[C@H](C)C(=O)N2CCCCC2)ccc1[N+](=O)[O-]
365619860	ZINC000623043115	ref	2.89	-7.56	0	310.419	1.533	1	5	4	COc1nc(C)cc(C)c1CN(C)C(=O)[C@]1(O)CCSC1
342597104	ZINC000590788089	ref	2.94	-10.5	0	293.323	1.107	3	4	4	CCC1(NC(=O)C(=O)Nc2cc(C)[nH]c2C(=O)OC)CC1
136229353	ZINC000293184656	ref	5.6	-7.99	0	232.283	1.251	0	4	4	CC#CCN(C)[C@H](C(=O)OC)c1cccnc1
197595118	ZINC000290097776	ref	4.69	-42.86	1	279.409	1.921	1	3	2	CCc1ncsc1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1
342597105	ZINC000616976809	ref	3.11	-19.81	0	299.396	1.449	0	5	5	CC[C@H](C)N(CC)C(=O)c1nc(S(C)(=O)=O)ncc1C
342597106	ZINC000616976727	ref	9.73	-15.81	0	261.329	1.693	0	5	4	CC[C@H](C)N(CC)C(=O)c1nc2ncc(C)cn2n1
398245855	ZINC000650859178	ref	0.91	-12.14	0	289.376	1.322	3	4	7	Cc1nc(C)c(CCNC(=O)N[C@H](CO)CCF)s1
214188214	ZINC000053552831	ref	5.76	-17.8	0	336.436	2.297	1	5	3	CCOC(=O)N[C@H]1CCCN(C(=O)c2cc(C)n(C(C)(C)C)n2)C1
214188218	ZINC000053530592	ref	6.0	-13.49	0	343.383	1.826	1	4	5	O=C(NCCOc1ccccc1)N1CCN(C(=O)c2ccco2)CC1
214188222	ZINC000053530094	ref	5.98	-51.71	1	326.194	1.395	1	4	6	COCC[NH2+]CCn1cnc2ccc(Br)cc2c1=O
214188224	ZINC000053530094	high	4.65	-10.65	0	326.194	1.395	1	5	6	COCCNCCn1cnc2ccc(Br)cc2c1=O
214188227	ZINC000053531878	ref	2.33	-13.6	0	328.457	0.653	2	4	5	CN(CC(=O)NC(C)(C)C)C(=O)NCC(C)(C)N1CCOCC1
214188230	ZINC000053531878	low	4.28	-43.44	1	328.457	0.653	3	3	5	CN(CC(=O)NC(C)(C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1
365619853	ZINC000625020667	ref	6.14	-16.28	0	303.41	2.301	2	4	3	Cc1nc2n(n1)CCC[C@H]2NC(=O)NC[C@@H]1CCCC12CC2
365619857	ZINC000625022455	ref	8.29	-17.99	0	300.402	2.307	1	2	3	CNC(=O)[C@H]1CCCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1
185089419	ZINC000096075710	ref	3.12	-40.79	1	250.346	0.991	2	4	3	Cn1cc(NC[C@@H]2CO[C@@]3(CCC[NH2+]C3)C2)cn1
185089421	ZINC000096076191	ref	5.34	-38.75	1	278.4	0.964	1	4	2	Cn1cc(CN2CCC[C@@]3(COCC[N@H+](C)C3)C2)cn1
342080922	ZINC000625326097	low	1.24	-41.38	-1	282.771	1.562	2	3	2	Oc1ccc(Cl)c(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1
365619862	ZINC000625022431	ref	3.02	-8.34	0	301.399	2.402	1	3	8	CCC(F)(F)C(C)(C)CS(=O)(=O)NCC(C)(C)OC
185089422	ZINC000096076191	mid	5.45	-38.88	1	278.4	0.964	1	4	2	Cn1cc(CN2CCC[C@@]3(COCC[N@@H+](C)C3)C2)cn1
185089424	ZINC000096076191	mid	5.43	-33.78	1	278.4	0.964	1	4	2	CN1CCOC[C@@]2(CCC[N@@H+](Cc3cnn(C)c3)C2)C1
365619865	ZINC000625020407	ref	6.35	-8.67	0	303.468	2.499	0	3	7	CCO[C@H](CS(=O)(=O)N1CCC(C(C)C)CC1)C1CC1
365619872	ZINC000625022499	ref	7.52	-17.4	0	312.772	2.149	1	2	4	CNC(=O)[C@H]1CCCN1C(=O)CCc1ccc(Cl)c(F)c1
342080923	ZINC000625326097	low	2.32	-34.63	1	282.771	1.562	2	3	2	Oc1ccc(Cl)c(C[N@H+]2CCN3CCOC[C@@H]3C2)c1
342080924	ZINC000625326097	high	1.24	-41.38	-1	282.771	1.562	0	4	2	[O-]c1ccc(Cl)c(CN2CCN3CCOC[C@@H]3C2)c1
365619877	ZINC000625020938	ref	7.07	-11.06	0	318.425	2.474	1	6	8	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCC[C@H]1CC
342080925	ZINC000625326658	ref	2.92	-17.03	0	288.413	1.417	1	3	5	C=CC(C)(C)CCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
342080926	ZINC000625326033	ref	4.07	-10.02	0	284.4	1.029	2	3	8	CCO[C@H](C(=O)N[C@@H]1CCC[N@H+](CCOC)C1)C1CC1
342080927	ZINC000625326033	mid	6.8	-43.61	1	284.4	1.029	2	3	8	CCO[C@H](C(=O)N[C@@H]1CCC[N@@H+](CCOC)C1)C1CC1
365619883	ZINC000625020153	ref	6.37	-8.47	0	301.452	2.396	0	3	6	CCO[C@H](CS(=O)(=O)N1CCC[C@@H]2CCC[C@H]21)C1CC1
342080928	ZINC000625326033	mid	4.07	-10.02	0	284.4	1.029	1	4	8	CCO[C@H](C(=O)N[C@@H]1CCCN(CCOC)C1)C1CC1
365619889	ZINC000625022994	ref	5.6	-11.55	0	315.373	2.474	1	5	4	CCn1nc(C)cc1C(=O)N[C@H]1CCOc2c(OC)cccc21
342080929	ZINC000625326120	ref	2.62	-7.76	0	291.804	1.954	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1c(Cl)cnn1C
349535426	ZINC000621242229	low	8.61	-49.27	1	289.423	2.47	1	2	3	Cc1cc(C[NH+]2CCN(C(=O)CC(C)(C)C)CC2)ccn1
259308616	ZINC000250201785	high	2.36	-12.12	0	249.314	1.53	1	5	6	C[C@H](c1ccco1)N(C)C[C@@H](O)Cn1cccn1
365619855	ZINC000172800140	low	4.55	-46.62	1	283.397	1.051	1	4	4	Cc1nc(C)c(C[N@H+](C)CC(=O)N2CCOCC2)s1
365619859	ZINC000172800140	low	4.81	-46.82	1	283.397	1.051	1	4	4	Cc1nc(C)c(C[N@@H+](C)CC(=O)N2CCOCC2)s1
365619863	ZINC000172803048	ref	5.19	-40.55	1	294.424	1.64	2	4	3	C[C@@H](C(=O)Nc1nccs1)N1CC[N@@H+]2CCCC[C@@H]2C1
299072525	ZINC000567666960	high	6.48	-7.16	0	258.365	2.02	1	2	3	Cc1ccc(C[C@@H]2CCCN2C(=O)C2(N)CC2)cc1
306234469	ZINC000557854639	ref	2.26	-11.13	0	328.459	1.484	2	4	7	O=S(=O)(NC1CC1)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1
343994183	ZINC000139368967	ref	6.68	-31.71	1	176.263	1.923	1	1	2	C[C@@H]1CC[N@H+](Cc2ccccn2)C1
214188225	ZINC000337631961	ref	0.95	-11.24	0	275.349	-0.495	2	4	9	CCN(C)C(=O)CNC(=O)N(CC)CCOCCO
214188229	ZINC000337631428	ref	1.68	-16.55	0	267.329	-0.018	2	4	6	CN(CCOCCO)C(=O)[C@@H]1CCc2n[nH]cc2C1
136229354	ZINC000293006281	ref	4.53	-5.65	0	238.331	3.195	0	4	6	C=CCC(C)(C)c1nc([C@](C)(CC)OC)no1
214188235	ZINC000337631847	ref	2.41	-22.36	0	292.339	0.496	2	5	7	CN(CCOCCO)C(=O)c1c[nH]cc1-c1cnn(C)c1
214188242	ZINC000337629957	ref	2.61	-19.29	0	290.36	0.369	2	5	8	CN(CCOCCO)C(=O)NCCC(=O)OC(C)(C)C
136229355	ZINC000292999714	ref	4.29	-7.1	0	222.244	0.916	0	5	4	CC#CCN(C)Cc1oncc1C(=O)OC
214188246	ZINC000337632017	ref	6.93	-42.74	1	295.349	2.312	2	1	5	CC[N@@H+]1CCC[C@@H](CNC(=O)N(C)CCC(F)(F)F)C1
214188249	ZINC000337632017	mid	7.4	-42.24	1	295.349	2.312	2	1	5	CC[N@H+]1CCC[C@@H](CNC(=O)N(C)CCC(F)(F)F)C1
214188252	ZINC000337629274	ref	6.46	-35.28	1	284.444	2.43	2	2	8	CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C)(CC)CC1
214188256	ZINC000337629274	high	4.37	-7.72	0	284.444	2.43	1	3	8	CCOCCCNC(=O)[C@@H](C)N1CCC(C)(CC)CC1
214188259	ZINC000337628940	ref	5.12	-8.1	0	267.394	3.337	2	3	4	CSCC(C)(C)C(=O)Nc1cc(C)c(O)c(C)c1
214188262	ZINC000337629795	ref	7.67	-8.74	0	285.391	2.34	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CC[C@@H]2CCC[C@@H]21
214188267	ZINC000337629290	ref	6.27	-39.18	1	298.333	2.246	2	2	6	C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1
214188271	ZINC000337629290	mid	6.36	-39.49	1	298.333	2.246	2	2	6	C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1
214188272	ZINC000337629290	high	3.96	-10.01	0	298.333	2.246	1	3	6	C[C@@H]1CCN(CC(=O)NCc2ccc(OC(F)F)cc2)C1
214188278	ZINC000337632340	ref	4.98	-46.85	1	296.415	0.784	3	2	7	O=C(NCCCN1CCCCCC1=O)NCC[NH+]1CCC1
214188282	ZINC000337632340	mid	1.79	-15.57	0	296.415	0.784	2	3	7	O=C(NCCCN1CCCCCC1=O)NCCN1CCC1
210256712	ZINC000004710609	high	5.76	-120.44	-2	336.376	3.556	1	6	2	[O-]c1cc(O)ccc1-c1n[n-]c(=S)n1-c1cccc2ncccc12
312713274	ZINC000176893705	ref	4.65	-7.71	0	283.397	2.252	1	5	6	CCCCO[C@@H]1C[C@@H](NC(=O)c2cnns2)C1(C)C
210256718	ZINC000004712048	ref	5.39	-48.57	1	347.525	1.286	2	3	10	CCCS(=O)(=O)N1CCC(C(=O)NCCC[NH+](CC)CC)CC1
210256727	ZINC000004713504	ref	12.22	-11.83	0	339.419	5.582	0	3	1	O=c1c(-c2ccccc2)c2sc3ccccc3nc-2c2ccccc12
210256736	ZINC000004710046	ref	6.12	-13.82	0	331.416	1.946	1	4	9	CCOCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O
398245856	ZINC000651444365	ref	4.51	-7.61	0	292.379	3.182	0	5	3	CC1(C)C[C@H](c2noc(/C=C\C3CCOCC3)n2)CCO1
282123284	ZINC000151685342	ref	4.54	-7.05	0	314.426	2.173	1	4	5	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@@H]1CCOC1
199273125	ZINC000181260049	ref	8.32	-48.86	1	322.474	2.989	2	3	7	CO[C@@H](C)CCC(=O)Nc1cccc(C[NH+]2CCSCC2)c1
210256751	ZINC000004711258	ref	8.74	-45.8	1	349.519	2.548	2	2	6	C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1
210256756	ZINC000004711258	mid	9.05	-45.2	1	349.519	2.548	2	2	6	C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1
210256762	ZINC000004714835	ref	3.48	-14.68	0	332.425	2.144	2	3	7	C[C@H](NS(=O)(=O)c1ccc(CCC(N)=O)cc1)c1ccccc1
210256766	ZINC000004713696	ref	12.12	-9.87	0	328.415	5.051	0	3	4	COc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccccc2)C1
210256772	ZINC000004710812	ref	8.13	-16.24	0	341.356	1.891	1	9	5	CC(=O)Nc1nonc1-c1nnc(SCC#N)n1-c1ccccc1
210256780	ZINC000004714164	ref	10.91	-12.36	0	337.335	4.33	1	5	3	O=[N+]([O-])c1ccc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)cc1
210256786	ZINC000004714728	ref	11.31	-8.82	0	338.41	5.718	1	3	4	Oc1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1
214188228	ZINC000278489208	ref	9.56	-8.21	0	309.211	3.087	0	4	5	CCN(Cc1ncnn1CC)c1cccc(Br)c1
214188231	ZINC000278490284	ref	8.05	-20.33	0	318.417	2.281	1	3	7	COC(C)(C)CC(=O)N[C@H](CN1CCCC1=O)c1ccccc1
343994184	ZINC000625559351	ref	0.84	-10.69	0	219.306	0.518	1	3	5	C/C=C/CNS(=O)(=O)C[C@@H]1CCOC1
342080930	ZINC000625326145	ref	1.97	-7.95	0	276.402	1.145	1	3	6	C=CC(C)(C)CCNS(=O)(=O)N1CCCOCC1
349535427	ZINC000621242186	ref	8.26	-57.54	-1	297.301	2.406	1	3	7	O=C(C[C@@H](C(=O)[O-])c1ccccc1)NCC[C@@H]1CC1(F)F
214188237	ZINC000053544283	ref	10.94	-20.43	0	346.394	2.494	1	6	5	C[C@@H](C(=O)NCc1ccc(-n2cncn2)cc1)n1cnc2ccccc21
282123285	ZINC000248980613	ref	7.86	-42.33	1	318.417	1.665	2	3	7	COC(=O)CNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1
365619866	ZINC000623044899	ref	3.65	-5.99	0	317.424	1.952	1	3	5	C[C@@H](C(=O)N[C@H](C(F)F)C1CCCCC1)N1CCN(C)CC1
282123289	ZINC000248978224	ref	2.21	-14.95	0	324.421	1.143	3	4	9	Cc1ccc(CN(C(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)C2CC2)o1
199273126	ZINC000294964023	ref	9.34	-39.23	1	288.435	3.355	1	1	5	CCC[NH2+][C@H](C)C(=O)N1CCC[C@@H]1c1cccc(C)c1C
365619874	ZINC000623044899	mid	5.72	-33.28	1	317.424	1.952	2	2	5	C[C@@H](C(=O)N[C@H](C(F)F)C1CCCCC1)N1CC[NH+](C)CC1
365619880	ZINC000623043475	ref	5.48	-12.67	0	302.378	1.94	1	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)Cc1[nH]cnc1C
282123292	ZINC000248978224	mid	4.56	-35.41	1	324.421	1.143	3	4	9	Cc1ccc(CN(C(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)C2CC2)o1
282123294	ZINC000248978224	mid	2.21	-14.95	0	324.421	1.143	2	5	9	Cc1ccc(CN(C(=O)CN(C[C@H](C)O)[C@H](C)CO)C2CC2)o1
282123299	ZINC000248980924	ref	5.67	-9.28	0	315.369	1.982	2	4	5	COC(=O)[C@H](NC(=O)[C@@H](C)c1ccc2ccccc2c1)[C@H](C)O
365619886	ZINC000623043475	low	5.95	-37.13	1	302.378	1.94	1	3	5	COc1nc(C)cc(C)c1CN(C)C(=O)Cc1[nH]c[nH+]c1C
365619893	ZINC000623042918	ref	4.97	-19.5	0	321.402	1.081	1	4	6	O=C(CCCN1C(=O)CNC1=O)N1CC(Cc2ccsc2)C1
365619900	ZINC000623043089	ref	5.19	-17.62	0	304.39	1.196	2	3	4	CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)[C@H](C)c2ccc(C)cc2)C1
365619905	ZINC000623044900	ref	4.03	-6.61	0	317.424	1.952	1	3	5	C[C@H](C(=O)N[C@H](C(F)F)C1CCCCC1)N1CCN(C)CC1
365619910	ZINC000623044900	mid	6.12	-37.45	1	317.424	1.952	2	2	5	C[C@H](C(=O)N[C@H](C(F)F)C1CCCCC1)N1CC[NH+](C)CC1
365619915	ZINC000623044112	ref	1.1	-13.92	0	309.362	1.373	3	5	7	COc1cc(CCCNC(=O)C2(O)CCC2)cc(OC)c1O
365619922	ZINC000623044933	ref	4.68	-9.99	0	315.32	1.43	2	4	4	Cn1c(=O)[nH]cc(C(=O)N[C@@H](C(F)F)C2CCCCC2)c1=O
365619928	ZINC000623043185	ref	2.59	-18.86	0	316.279	1.762	2	3	2	CC(=O)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c(O)c2)C1
178304473	ZINC000237256638	ref	5.91	-51.89	1	358.442	1.845	3	3	5	C[NH2+]Cc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1
192339907	ZINC000273863754	ref	3.58	-6.73	0	281.331	2.402	2	3	3	CO[C@@H]1[C@@H](C)[C@H](NC(=O)Nc2ccncc2F)C1(C)C
342080931	ZINC000625325892	ref	2.32	-11.72	0	293.429	1.393	1	4	8	CO[C@@H](CS(=O)(=O)NCC[C@H]1CCCOC1)C(C)C
365619868	ZINC000172803048	mid	4.77	-33.48	1	294.424	1.64	2	4	3	C[C@@H](C(=O)Nc1nccs1)N1CC[N@H+]2CCCC[C@@H]2C1
282123295	ZINC000446376211	ref	4.43	-54.23	1	333.436	0.55	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@]1([NH3+])[C@H]3CCCO[C@H]3C1(C)C)CC2
365619870	ZINC000172803048	mid	2.53	-11.71	0	294.424	1.64	1	5	3	C[C@@H](C(=O)Nc1nccs1)N1CCN2CCCC[C@@H]2C1
365619876	ZINC000172798564	ref	5.91	-11.53	0	290.407	1.681	1	3	4	Cc1ccc(C[C@H](C)NC(=O)[C@@H]2CN(C)CCO2)c(C)c1
343994185	ZINC000139368967	mid	6.36	-31.75	1	176.263	1.923	1	1	2	C[C@@H]1CC[N@@H+](Cc2ccccn2)C1
398245857	ZINC000650858672	ref	5.1	-9.06	0	296.411	1.917	2	3	8	O=C(NCCOCC1CC1)N[C@@H](C1CCOCC1)C1CC1
398245860	ZINC000650860082	ref	2.09	-8.22	0	294.351	1.839	1	5	4	CCOc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[C@H]2O)co1
178304475	ZINC000237256638	high	4.47	-13.52	0	358.442	1.845	3	4	5	CNCc1cccc(NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)c1
299072305	ZINC000358088852	ref	3.3	-56.24	1	312.435	1.963	2	3	6	C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)C1CCOCC1
365619882	ZINC000172798564	mid	8.32	-50.15	1	290.407	1.681	2	2	4	Cc1ccc(C[C@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C)c1
365619887	ZINC000172798564	mid	8.15	-40.14	1	290.407	1.681	2	2	4	Cc1ccc(C[C@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)c1
178304476	ZINC000237249522	ref	6.98	-47.3	1	357.433	1.383	2	4	6	C[NH2+]CC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1
282123312	ZINC000446376211	high	4.22	-13.51	0	333.436	0.55	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@]1(N)[C@H]3CCCO[C@H]3C1(C)C)CC2
282123318	ZINC000171456346	ref	4.8	-15.31	0	300.366	0.933	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1n[nH]c3c1CCCC3)CC2
282123324	ZINC000171456346	mid	4.85	-15.72	0	300.366	0.933	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1[nH]nc3c1CCCC3)CC2
365619892	ZINC000172799582	ref	4.06	-5.32	0	298.427	1.374	0	5	8	COC(=O)CN(CCC1CCCC1)CCN1CCOCC1
365619899	ZINC000172799582	low	6.22	-40.73	1	298.427	1.374	1	4	8	COC(=O)C[N@H+](CCC1CCCC1)CCN1CCOCC1
365619901	ZINC000172799582	low	6.22	-41.36	1	298.427	1.374	1	4	8	COC(=O)C[N@@H+](CCC1CCCC1)CCN1CCOCC1
365619906	ZINC000172799582	low	6.48	-36.84	1	298.427	1.374	1	4	8	COC(=O)CN(CCC1CCCC1)CC[NH+]1CCOCC1
365619911	ZINC000172798031	ref	5.35	-10.28	0	291.301	1.617	0	4	2	Cn1nc2c(cc1=O)CN(Cc1cc(F)ccc1F)CC2
214188238	ZINC000278489560	ref	3.94	-9.58	0	314.389	3.037	1	6	5	COc1ccccc1N1CCC(Nc2nnc(C3CC3)o2)CC1
214188241	ZINC000278490456	ref	5.73	-8.46	0	314.36	2.49	2	3	4	O=C(N[C@H](CO)c1ccc(F)cc1)[C@@H]1CCCc2cccnc21
214188245	ZINC000278490185	ref	6.31	-9.83	0	307.371	3.005	0	6	6	COC[C@@H](OC(=O)c1ccc(C)c(OC)c1)c1nccs1
214188247	ZINC000278489913	ref	4.87	-13.57	0	303.366	1.069	1	6	3	Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCOC[C@H]1C
282123288	ZINC000449155541	ref	3.85	-34.83	1	285.428	2.244	2	3	8	COC[C@H](CCO)[NH2+]C1CCC(OC2CCCC2)CC1
282123291	ZINC000449154705	ref	5.24	-39.22	1	282.428	2.084	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]2OCC[C@@H]12
214188257	ZINC000278490024	ref	7.08	-59.26	1	323.412	3.018	1	3	3	Cc1nc(F)ccc1C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1
214188261	ZINC000278489763	ref	5.67	-40.5	1	300.406	3.401	2	4	8	CC[NH+](CC)Cc1cccc(CNc2nnc(C3CC3)o2)c1
214188264	ZINC000278490058	ref	6.3	-63.57	1	319.355	2.578	2	2	7	Cc1nc(F)ccc1C[NH2+]CCCNC(=O)c1ccc(F)cc1
214188268	ZINC000278490058	high	4.93	-12.42	0	319.355	2.578	2	3	7	Cc1nc(F)ccc1CNCCCNC(=O)c1ccc(F)cc1
214188274	ZINC000278490402	ref	5.99	-12.89	0	311.381	3.251	2	3	6	COc1ccc(C(=O)NCCc2ccc(O)cc2)cc1C1CC1
214188279	ZINC000278489657	ref	8.23	-11.33	0	300.341	2.128	2	6	4	C[C@@H](Cc1ccccc1F)Nc1nc(N)c2cnn(C)c2n1
214188281	ZINC000278489657	low	8.6	-32.67	1	300.341	2.128	2	5	4	C[C@@H](Cc1ccccc1F)Nc1nc2c(cnn2C)c(N)[nH+]1
214188285	ZINC000278489164	ref	9.28	-46.58	1	322.474	2.493	1	3	9	COCCSCCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O
214188288	ZINC000278489164	mid	9.27	-45.52	1	322.474	2.493	1	3	9	COCCSCCC[N@@H+](C)[C@@H]1CCN(c2ccccc2)C1=O
214188289	ZINC000278489164	mid	7.01	-10.16	0	322.474	2.493	0	4	9	COCCSCCCN(C)[C@@H]1CCN(c2ccccc2)C1=O
365619871	ZINC000617365706	low	3.81	-37.04	1	281.356	0.818	2	3	6	COC[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CCOCC1
343994186	ZINC000599271253	mid	4.5	-45.71	1	296.411	1.559	2	4	6	C[N@@H+](C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCCO1
214188296	ZINC000278490430	ref	5.04	-13.19	0	318.402	2.049	3	3	1	CC1CCN(C(=O)C(=O)Nc2ccc3[nH]c(=S)[nH]c3c2)CC1
282123297	ZINC000449155995	ref	7.43	-35.21	1	252.402	2.412	1	1	5	CC(C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C2CC2)C1
349535428	ZINC000621497347	ref	7.55	-9.01	0	274.355	3.108	1	1	3	C[C@H]1C[C@@H](C)CN(C(=O)NCC[C@@H]2CC2(F)F)[C@H]1C
214188240	ZINC000053527093	ref	3.47	-13.5	0	338.839	1.303	2	3	5	CC(=O)NCCNC(=O)N1CCN(Cc2cccc(Cl)c2)CC1
210256788	ZINC000004714728	high	12.09	-55.85	-1	338.41	5.718	0	3	4	[O-]c1ccc2ccccc2c1/C=N/N(c1ccccc1)c1ccccc1
210256796	ZINC000004711781	ref	11.49	-53.72	-1	346.411	5.405	1	5	4	O=C([O-])c1cccc(Nc2nc(-c3ccc4ccccc4c3)cs2)c1
210256706	ZINC000428330190	ref	-1.45	-14.29	0	349.412	0.771	3	5	3	CC1(C)[C@H](O)C[C@H]1NC(=O)c1nccc2c(S(N)(=O)=O)cccc12
210256710	ZINC000265968990	ref	3.02	-23.31	0	361.427	0.523	2	6	5	Cn1cc(N2CCC[C@H](NC(=O)CNC(=O)c3cccs3)C2=O)cn1
365619875	ZINC000617365706	low	3.82	-37.1	1	281.356	0.818	2	3	6	COC[C@H](NC(=O)Cc1[nH+]c[nH]c1C)C1CCOCC1
214188243	ZINC000053527093	low	5.69	-53.62	1	338.839	1.303	3	2	5	CC(=O)NCCNC(=O)N1CC[NH+](Cc2cccc(Cl)c2)CC1
210256711	ZINC000428369521	ref	2.83	-17.55	0	328.39	0.264	1	6	7	CCOC(=O)[C@@H](Cc1ccccn1)NS(=O)(=O)[C@@H]1CCOC1
210256713	ZINC000428369521	mid	2.49	-50.45	-1	328.39	0.264	0	6	7	CCOC(=O)[C@@H](Cc1ccccn1)[N-]S(=O)(=O)[C@@H]1CCOC1
365619879	ZINC000617365706	high	3.32	-13.45	0	281.356	0.818	2	4	6	COC[C@H](NC(=O)Cc1nc[nH]c1C)C1CCOCC1
185089425	ZINC000096076191	mid	5.29	-33.92	1	278.4	0.964	1	4	2	CN1CCOC[C@@]2(CCC[N@H+](Cc3cnn(C)c3)C2)C1
197595124	ZINC000290098764	ref	11.51	-11.78	0	283.379	2.823	0	5	4	C=CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H]1C
210256715	ZINC000428369417	ref	1.56	-19.98	0	326.422	0.346	2	4	5	C[C@@H](Cc1ccncc1)NC(=O)N1CC[C@H](NS(C)(=O)=O)C1
214188248	ZINC000053526499	ref	6.06	-16.28	0	338.352	2.836	2	7	4	O=C(Nc1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1
210256719	ZINC000428356309	ref	0.4	-14.76	0	336.454	0.093	2	5	10	CC(C)OCCS(=O)(=O)NCC(=O)N(CC(C)(C)O)C1CC1
214188251	ZINC000053526499	mid	6.07	-14.88	0	338.352	2.836	2	7	4	O=C(Nc1nc(-c2ccccn2)n[nH]1)c1csc(-c2ccco2)n1
214190474	ZINC000293649758	ref	-2.32	-16.02	0	369.443	0.248	4	5	4	Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1S(N)(=O)=O
342597107	ZINC000590787209	ref	8.16	-90.41	2	281.444	1.706	3	1	6	CC(C)[N@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1
365619884	ZINC000617364944	ref	3.25	-15.37	0	281.356	0.749	1	5	6	COC[C@@H](NC(=O)Cn1ccc(C)n1)C1CCOCC1
365619888	ZINC000617366073	ref	-0.07	-9.71	0	280.324	0.959	2	5	5	COC[C@@H](NC(=O)c1cncc(O)c1)C1CCOCC1
136229356	ZINC000293012707	ref	5.43	-11.03	0	245.326	2.36	1	2	3	C=CCNC(=O)N1CC(C)(C)[C@@H]1c1cccnc1
185089426	ZINC000096076191	low	7.39	-99.41	2	278.4	0.964	2	3	2	Cn1cc(C[N@@H+]2CCC[C@@]3(COCC[NH+](C)C3)C2)cn1
214188253	ZINC000293615642	ref	6.8	-10.27	0	372.429	0.858	2	7	4	CC(C)[C@]1(CO)CCCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1
214188260	ZINC000293622534	ref	3.91	-16.0	0	358.442	0.804	1	4	1	C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C[C@@H](C)N1C
342080932	ZINC000625326116	ref	1.67	-12.89	0	291.413	1.149	1	4	7	O=S(=O)(CC[C@H]1CCOC1)NCC[C@H]1CCCOC1
342080933	ZINC000625325878	ref	3.65	-10.83	0	275.414	1.913	1	3	7	O=S(=O)(CCC1CCC1)NCC[C@H]1CCCOC1
178304478	ZINC000237249522	low	7.29	-94.99	2	357.433	1.383	2	3	6	C[NH2+]CC(=O)NCc1cc[nH+]c(N2CCN(c3ccc(F)cc3)CC2)c1
178304479	ZINC000237249522	high	5.54	-11.12	0	357.433	1.383	2	5	6	CNCC(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1
178304480	ZINC000237263017	ref	9.9	-67.88	-1	369.421	1.984	0	6	4	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2nn(-c3ccc(C)cc3)c3c2CCC3)C1
214188266	ZINC000293622534	mid	6.13	-43.2	1	358.442	0.804	2	3	1	C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C[C@@H](C)[N@@H+]1C
178304483	ZINC000237244750	ref	5.06	-51.01	1	363.483	1.717	1	3	4	CN(C1C[C@@H]2CC[C@H](C1)[NH2+]2)S(=O)(=O)c1ccc(N2CCCC2=O)cc1
178304487	ZINC000237247497	ref	4.54	-57.08	1	371.478	1.424	1	3	7	CN(CCCC(=O)N1CCC[C@@H](C[NH3+])C1)S(=O)(=O)c1ccc(F)cc1
178304491	ZINC000237249606	ref	4.39	-54.16	1	371.478	1.342	2	3	8	CN(CCCC(=O)NC[C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1
178304493	ZINC000237244729	ref	8.05	-65.69	-1	357.41	1.862	0	6	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1
178304496	ZINC000237250984	ref	1.58	-53.09	1	353.366	1.321	3	3	7	C[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
178304498	ZINC000237250984	high	1.19	-72.73	0	353.366	1.321	2	3	7	C[NH2+]C[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1
178304501	ZINC000237260059	ref	6.55	-66.26	1	365.861	1.903	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCC([NH3+])CC1
178304503	ZINC000237249794	ref	3.13	-64.89	1	356.488	1.094	1	4	9	COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1
185089428	ZINC000096076191	low	7.28	-105.17	2	278.4	0.964	2	3	2	Cn1cc(C[N@H+]2CCC[C@@]3(COCC[NH+](C)C3)C2)cn1
342080934	ZINC000625326226	ref	2.11	-5.9	0	251.33	1.852	1	5	5	C[C@H](NCc1noc(C2CCC2)n1)[C@H]1CCOC1
365619890	ZINC000617366073	mid	0.69	-45.62	-1	280.324	0.959	1	5	5	COC[C@@H](NC(=O)c1cncc([O-])c1)C1CCOCC1
365619895	ZINC000617366215	ref	-1.21	-11.73	0	296.323	0.664	3	5	5	COC[C@H](NC(=O)c1cc(O)cc(=O)[nH]1)C1CCOCC1
365619897	ZINC000617364960	ref	1.67	-8.03	0	294.355	0.369	2	6	5	COC[C@@H](NC(=O)c1cnc(C)nc1N)C1CCOCC1
342080935	ZINC000625326226	mid	3.32	-39.76	1	251.33	1.852	1	4	5	C[C@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H]1CCOC1
365619902	ZINC000617365127	ref	4.36	-14.92	0	267.329	0.441	1	5	6	COC[C@H](NC(=O)Cn1ccnc1)C1CCOCC1
282123301	ZINC000151682188	ref	9.37	-18.28	0	324.465	2.439	0	3	4	CC(C)[C@H](C(=O)N1CCC(OC(C)(C)C)CC1)N1CCCC1=O
282123305	ZINC000151688455	ref	7.48	-20.06	0	301.394	2.022	1	5	4	CC(C)(C)c1ccc(C(C)(C)NC(=O)Cn2cnnn2)cc1
342080936	ZINC000625326317	ref	3.06	-6.16	0	296.333	1.802	2	2	6	COCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1
214188255	ZINC000053526499	high	4.86	-64.53	-1	338.352	2.836	1	7	4	O=C([N-]c1n[nH]c(-c2ccccn2)n1)c1csc(-c2ccco2)n1
214188258	ZINC000053518319	ref	9.0	-12.06	0	334.416	3.407	1	4	6	COC(=O)c1cc(CN(C)C(=O)NCCC2=CCCCC2)oc1C
398245858	ZINC000651435029	ref	6.73	-8.3	0	283.456	3.458	1	2	6	CC[C@@H](C)CN(CC)C(=O)C1CCC(C(C)(C)O)CC1
398245861	ZINC000651434047	ref	8.61	-8.3	0	260.316	3.042	1	4	3	Cc1cc(C)nc(Nc2cc(F)cc(N(C)C)c2)n1
398245864	ZINC000651443999	ref	6.12	-32.37	1	267.8	3.466	2	1	4	CC[C@H]([NH2+][C@H]1CCCc2ccc(Cl)cc21)[C@H](C)O
398245867	ZINC000651440882	ref	7.35	-8.45	0	281.783	3.081	0	2	4	COC[C@H]1CCCN1C(=O)[C@@H](C)c1ccc(Cl)cc1
214188263	ZINC000053551903	ref	5.96	-22.8	0	348.399	2.458	1	5	3	CCOC(=O)N[C@@H]1CCCN(C(=O)c2oc3c(c2C)C(=O)CCC3)C1
398245870	ZINC000651433167	ref	6.6	-12.11	0	286.322	3.205	0	4	6	CC(=O)C(C)(C)CCc1nc(CC2CC(F)(F)C2)no1
398245874	ZINC000651438497	ref	7.01	-48.95	1	255.365	3.253	1	2	4	Cc1ccc([C@H](C)[NH2+]Cc2cnccc2C)c(C)n1
398245875	ZINC000651438497	mid	5.81	-6.46	0	255.365	3.253	1	3	4	Cc1ccc([C@H](C)NCc2cnccc2C)c(C)n1
398245878	ZINC000651440557	ref	6.18	-10.05	0	287.363	3.251	0	5	3	Cn1ccc(/C=C\c2nc([C@H]3CCOC(C)(C)C3)no2)c1
214188265	ZINC000053547868	ref	5.17	-17.03	0	347.415	2.193	2	4	3	CCOC(=O)N[C@H]1CCCN(C(=O)c2[nH]c3c(c2C)C(=O)CCC3)C1
214188286	ZINC000053544990	ref	9.81	-13.61	0	344.418	3.488	1	4	6	C[C@H](CNC(=O)c1ccccc1-c1ccccc1C#N)Cn1cccn1
282123298	ZINC000449155995	high	6.38	-7.28	0	252.402	2.412	1	2	5	CC(C)C[C@@H]1CCCN(C(=O)[C@@H](C)NC2CC2)C1
214188269	ZINC000293622534	mid	5.73	-43.6	1	358.442	0.804	2	3	1	C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)CC3)C[C@@H](C)[N@H+]1C
398245859	ZINC000649443990	ref	4.91	-7.82	0	230.311	2.491	1	3	3	Cc1c(-c2ccc([C@H](C)CO)cc2)cnn1C
342080937	ZINC000625326317	mid	5.87	-41.3	1	296.333	1.802	2	2	6	COCC[N@H+]1CCC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1
219048288	ZINC000097696188	ref	7.75	-53.43	1	335.407	3.31	2	3	5	COc1ccccc1COc1cccc(-c2nc3c([nH]2)C[NH2+]CC3)c1
219048295	ZINC000097696188	high	6.39	-12.5	0	335.407	3.31	2	4	5	COc1ccccc1COc1cccc(-c2nc3c([nH]2)CNCC3)c1
282123302	ZINC000449155412	ref	8.06	-87.22	2	297.487	2.105	3	1	7	C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1
192038026	ZINC000418430483	ref	0.81	-49.5	1	245.367	0.916	3	2	7	CCC([NH3+])(CC)CNC(=O)N(C)CC[C@H](C)O
282123303	ZINC000449155412	mid	8.19	-86.86	2	297.487	2.105	3	1	7	C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1
282123309	ZINC000449154568	ref	6.73	-42.45	1	296.455	2.428	1	2	5	COCC1CCC([NH2+][C@H]2CCC[C@@H](C(=O)N(C)C)C2)CC1
219048302	ZINC000097694838	ref	1.56	-13.08	0	329.4	1.231	1	5	4	Cc1nc(CN2CCN(C(=O)Cc3ccccc3)C[C@H](O)C2)co1
219048308	ZINC000097694773	ref	4.05	-14.16	0	327.363	2.258	3	4	7	O=C(CCc1nc2cc(F)ccc2[nH]1)NCCNc1cccnc1
342080938	ZINC000625326317	high	3.06	-6.16	0	296.333	1.802	1	3	6	COCCN1CCC[C@H](NC(=O)C[C@H](C)C(F)(F)F)C1
342080939	ZINC000625326671	ref	0.24	-7.39	0	297.399	1.684	3	6	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
219048310	ZINC000097694773	mid	4.04	-12.95	0	327.363	2.258	3	4	7	O=C(CCc1nc2ccc(F)cc2[nH]1)NCCNc1cccnc1
219048313	ZINC000097695933	ref	7.41	-43.98	-1	335.4	2.724	0	5	6	COc1cccc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2CC(C)C)c1OC
230233645	ZINC000331113788	ref	-1.54	-10.52	0	274.317	-1.253	2	6	5	CCN1CCOC[C@H]1C(=O)NC[C@](C)(O)C(=O)OC
342080940	ZINC000625326671	low	1.43	-45.49	1	297.399	1.684	3	5	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
230233652	ZINC000331106340	ref	0.47	-21.2	0	283.284	-1.179	1	6	4	CO[C@@H]1CN(C(=O)Cn2ccc(=O)[nH]c2=O)C[C@H]1OC
230233657	ZINC000331106018	ref	-1.53	-12.07	0	274.317	-1.253	2	6	5	COC(=O)[C@](C)(O)CNC(=O)[C@@H](C)N1CCOCC1
342080941	ZINC000625326612	ref	3.94	-10.33	0	275.414	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)C[C@H](OC)C1CC1
398245862	ZINC000649444115	ref	7.88	-12.63	0	240.306	2.915	0	3	1	Cc1c(-c2ccc3c(c2)C(=O)CCC3)cnn1C
398245865	ZINC000649443948	ref	8.09	-45.49	1	241.334	2.828	1	1	1	CC1(C)Cc2ccc(C3=CC[NH2+]CC3)cc2C1=O
342080942	ZINC000625325894	ref	2.33	-11.53	0	293.429	1.393	1	4	8	CO[C@@H](CS(=O)(=O)NCC[C@@H]1CCCOC1)C(C)C
342080943	ZINC000625325893	ref	2.59	-12.29	0	293.429	1.393	1	4	8	CO[C@H](CS(=O)(=O)NCC[C@@H]1CCCOC1)C(C)C
342080944	ZINC000625325866	ref	2.56	-9.01	0	254.355	1.962	1	3	6	C=CC(C)(C)CCNS(=O)(=O)c1ccncc1
342080945	ZINC000625326626	ref	1.55	-11.49	0	279.402	1.147	1	4	8	CC[C@@H](CS(=O)(=O)NCC[C@H]1CCCOC1)OC
197595133	ZINC000290098471	ref	6.23	-10.12	0	296.363	2.414	1	5	7	CCOC(=O)COc1ccc(OC[C@@H](O)C(C)(C)C)cc1
398245869	ZINC000649444051	ref	4.92	-5.89	0	239.318	2.785	2	2	1	Nc1ccc(-c2ccc3c(c2)CC[C@@H](O)C3)cc1
214188275	ZINC000293627445	ref	6.04	-13.26	0	354.382	0.837	1	6	6	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2cnn(CC(C)C)c2)C1
398245872	ZINC000649444031	ref	5.21	-47.79	1	217.268	2.1	1	2	1	Cc1cc2c(cc1C1=CC[NH2+]CC1)OCO2
214188284	ZINC000293625457	ref	2.11	-12.46	0	365.449	0.206	1	5	6	O=C(CN1CCOCC1)N1CCN(C[C@H](O)Cc2ccc(F)cc2)CC1
214188291	ZINC000293625457	mid	4.34	-55.22	1	365.449	0.206	2	4	6	O=C(CN1CCOCC1)N1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1
214188294	ZINC000293632278	ref	2.46	-14.54	0	370.427	0.519	1	6	6	CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCNC(=O)[C@H]2C)c1
214188301	ZINC000293628237	ref	5.0	-13.58	0	359.171	0.993	0	5	4	CN(CCn1cccn1)C(=O)c1cnn(C)c1I
214188307	ZINC000293629324	ref	4.15	-51.33	1	360.458	0.992	3	4	4	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C
214188311	ZINC000293629324	mid	4.38	-50.28	1	360.458	0.992	3	4	4	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C
214188314	ZINC000293629324	high	2.7	-16.02	0	360.458	0.992	2	5	4	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)c1ccc2c(c1)NC(=O)CCN2C
214188317	ZINC000293629710	ref	-0.05	-19.27	0	357.354	0.601	1	6	5	Cn1cc(S(=O)(=O)N2CCC[C@H](OCCO)C2)c(C(F)(F)F)n1
214188322	ZINC000293627698	ref	6.47	-56.73	1	356.426	0.017	2	5	4	Cn1cc(C[N@@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(=O)n(C)c1=O
214188326	ZINC000293627698	mid	7.03	-50.01	1	356.426	0.017	2	5	4	Cn1cc(C[N@H+]2CCCNC(=O)[C@@H]2Cc2ccccc2)c(=O)n(C)c1=O
214190475	ZINC000278496191	ref	5.28	-40.84	-1	304.375	1.963	0	5	4	CCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n(C)n1
361823592	ZINC000612423839	high	6.18	-10.95	0	317.433	2.463	1	3	6	CN(C)CCOc1cccc(CNC(=O)N2C3CCC2CC3)c1
219048299	ZINC000350682494	ref	4.03	-11.83	0	285.771	2.134	2	3	7	CC(C)(O)CC(=O)NCCOCc1ccc(Cl)cc1
136229360	ZINC000184996319	ref	9.48	-11.34	0	249.379	3.29	0	2	6	CC#CCCCC(=O)N(CC)Cc1cccs1
342080946	ZINC000625326318	ref	3.03	-7.85	0	296.333	1.802	2	2	6	COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1
398245863	ZINC000650859469	ref	6.77	-45.27	1	287.354	1.769	2	1	2	C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CC3(F)F)C1
398245866	ZINC000650859469	mid	7.2	-44.64	1	287.354	1.769	2	1	2	C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CC3(F)F)C1
342080947	ZINC000625326318	mid	5.35	-40.93	1	296.333	1.802	2	2	6	COCC[N@H+]1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1
219048303	ZINC000350686891	ref	5.15	-11.87	0	284.359	2.008	1	3	4	O=C(CCc1cnc2ccccc2c1)N1CC[C@H](CO)C1
214188287	ZINC000337628524	ref	2.25	-13.29	0	257.33	0.459	1	4	6	C[C@H]1C[C@H](C(=O)N(C)CCOCCO)CCC1=O
342080948	ZINC000625326318	high	3.03	-7.85	0	296.333	1.802	1	3	6	COCCN1CCC[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C1
342080949	ZINC000625325831	ref	3.26	-11.67	0	263.403	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)C[C@H](CC)OC
342080950	ZINC000625325808	ref	2.86	-8.8	0	271.386	1.609	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1c(C)cnn1C
342080951	ZINC000625326032	ref	4.0	-11.41	0	284.4	1.029	2	3	8	CCO[C@H](C(=O)N[C@H]1CCC[N@H+](CCOC)C1)C1CC1
219048304	ZINC000350694698	ref	6.38	-8.82	0	273.38	3.271	2	2	2	CC1(C)CC[C@@H]1NC(=O)Nc1cnc2c(c1)CCCC2
219048305	ZINC000350692914	ref	6.32	-18.99	0	268.401	2.186	1	2	6	CCNC(=O)CCCC(=O)N1CC(C)(C)[C@@H]1C(C)C
219048307	ZINC000350684810	ref	6.92	-7.22	0	276.767	3.29	1	3	3	CO[C@H]1CC[C@H](Nc2ccc3ccc(Cl)cc3n2)C1
219048309	ZINC000350688630	ref	8.08	-12.58	0	290.407	3.134	0	3	6	CC(C)[C@H]1N(C(=O)CCCOc2cccnc2)CC1(C)C
219048312	ZINC000350686745	ref	6.51	-14.83	0	299.37	2.448	1	3	4	C[C@H](Oc1ccc2ccccc2c1)C(=O)N1CC[C@@H](CO)C1
219048314	ZINC000350685387	ref	0.02	-15.85	0	261.285	-0.018	2	6	4	Cc1ccnc(C(=O)N[C@H](CO)c2cnn(C)c2)n1
361823598	ZINC000612425824	ref	3.56	-13.59	0	317.389	2.214	3	4	6	CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
361823604	ZINC000612424693	ref	3.01	-14.33	0	301.289	2.145	2	4	5	CC[C@H](C)[C@@H](O)CNC(=O)c1cccc2c1OC(F)(F)O2
361823611	ZINC000612425218	ref	4.35	-12.23	0	301.342	2.401	2	4	7	CCC[C@@H](O)CNC(=O)c1cccc(C(=O)c2ccco2)c1
282123304	ZINC000248979823	ref	4.99	-45.08	1	304.39	1.92	3	3	6	CC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H](C)[C@@H]2CO)cc1
342080952	ZINC000625326032	mid	6.28	-43.03	1	284.4	1.029	2	3	8	CCO[C@H](C(=O)N[C@H]1CCC[N@@H+](CCOC)C1)C1CC1
185089429	ZINC000096076191	low	7.29	-105.09	2	278.4	0.964	2	3	2	Cn1cc(C[NH+]2CCC[C@@]3(COCC[N@H+](C)C3)C2)cn1
282123307	ZINC000248979823	mid	4.75	-49.09	1	304.39	1.92	3	3	6	CC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1
343994188	ZINC000073772058	ref	7.46	-12.0	0	245.33	2.368	1	4	2	C[C@H]1CCC[C@H](N(C)c2ncnc3nc[nH]c23)C1
343994195	ZINC000073772058	mid	7.64	-8.94	0	245.33	2.368	1	4	2	C[C@H]1CCC[C@H](N(C)c2ncnc3[nH]cnc23)C1
343994197	ZINC000625559132	ref	1.05	-11.18	0	221.322	0.907	1	3	6	C/C=C\CNS(=O)(=O)CC(C)(C)OC
343994200	ZINC000625559129	ref	1.13	-11.12	0	221.322	0.907	1	3	6	C/C=C/CNS(=O)(=O)CC(C)(C)OC
295666436	ZINC000412987971	ref	11.44	-11.91	0	301.415	2.987	0	5	7	Cn1c(SCC(=O)CCc2ccccc2)nnc1C1CC1
365619891	ZINC000354673680	ref	4.9	-18.51	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@@H]1C[C@H]1c1ccc(F)c(F)c1
365619896	ZINC000354675796	ref	4.72	-14.53	0	287.425	1.704	0	3	2	C[C@H]1C[C@@H](C)CN(C(=O)C[C@H]2CCS(=O)(=O)C2)[C@H]1C
365619904	ZINC000354675366	ref	4.64	-15.42	0	265.378	1.736	1	2	3	Cc1cccc([C@H](C)C(=O)N[C@@H]2CC[S@](=O)C2)c1
365619908	ZINC000354673412	ref	3.04	-6.92	0	294.326	1.308	2	3	2	CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@@H]2C)ccc1F
365619914	ZINC000354674555	ref	4.75	-8.37	0	257.33	1.261	1	4	6	CCOC(=O)CNC(=O)C[C@@H]1CCC[C@@H](OC)C1
365619921	ZINC000354675050	ref	2.96	-49.96	1	279.315	1.022	3	2	5	O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(F)c1
185089430	ZINC000096076191	low	6.9	-105.91	2	278.4	0.964	2	3	2	Cn1cc(C[NH+]2CCC[C@@]3(COCC[N@@H+](C)C3)C2)cn1
365619925	ZINC000354674824	ref	3.51	-13.36	0	276.34	1.464	0	6	6	COc1ccnc(CN(C)Cc2nccn2C)c1OC
365619929	ZINC000354674824	low	3.76	-42.68	1	276.34	1.464	0	5	6	COc1cc[nH+]c(CN(C)Cc2nccn2C)c1OC
199273127	ZINC000181260049	mid	6.03	-9.82	0	322.474	2.989	1	4	7	CO[C@@H](C)CCC(=O)Nc1cccc(CN2CCSCC2)c1
365619933	ZINC000354673603	ref	4.21	-20.14	0	297.351	1.426	1	3	5	O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CC[S@@](=O)C1
343994203	ZINC000619372281	ref	5.95	-10.05	0	233.315	1.556	1	2	2	CC(C)(C(=O)N1CC[C@H]2C[C@H]2C1)c1cnc[nH]1
295666437	ZINC000412987958	ref	6.86	-7.97	0	302.378	2.556	0	6	7	COc1cccc(-c2nnn(CCOCC3CCCC3)n2)c1
214188290	ZINC000337628744	ref	5.34	-13.13	0	256.265	0.884	1	5	2	Cn1ccnc1Cn1c(=O)[nH]c2ccccc2c1=O
361823601	ZINC000351631383	mid	6.53	-43.64	1	298.427	1.419	2	3	6	CC[N@@H+]1CCO[C@H](C(=O)NCCO[C@H]2CCCC[C@@H]2C)C1
342597108	ZINC000590787209	mid	8.22	-92.62	2	281.444	1.706	3	1	6	CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1
342597109	ZINC000590787209	high	5.84	-33.42	1	281.444	1.706	2	2	6	CC(C)[N@H+](C)CC1CCN([C@@H](C)C(=O)NC2CC2)CC1
214188293	ZINC000337628744	mid	5.82	-27.54	1	256.265	0.884	1	4	2	Cn1cc[nH+]c1Cn1c(=O)[nH]c2ccccc2c1=O
214188295	ZINC000337628497	ref	4.01	-16.52	0	277.328	0.781	2	4	5	CC(C)Cc1cc(=NC(=O)COc2cnn(C)c2)[nH][nH]1
214188298	ZINC000337630803	ref	7.96	-12.54	0	277.372	2.161	2	4	3	Cc1cc(N(C)C)nc(NC(=O)N[C@H]2CC[C@@H](C)C2)n1
342597110	ZINC000590787209	high	5.81	-33.18	1	281.444	1.706	2	2	6	CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)NC2CC2)CC1
290622846	ZINC000457680201	high	4.13	-6.49	0	310.482	2.412	2	3	5	C[C@H]1CC[C@@](C)(C(=O)NC[C@H](O)CN2CCCCC2)C1(C)C
300267966	ZINC000335448660	ref	4.19	-5.61	0	269.776	2.217	0	4	2	C[C@H]1CN(Cc2c(Cl)cnn2C)CC2(CCC2)O1
361823609	ZINC000351631383	mid	6.38	-36.51	1	298.427	1.419	2	3	6	CC[N@H+]1CCO[C@H](C(=O)NCCO[C@H]2CCCC[C@@H]2C)C1
361823616	ZINC000351630154	ref	0.64	-9.9	0	256.346	1.039	3	3	7	C/C=C\C[C@H](CO)NC(=O)NCC[C@H]1CCOC1
361823664	ZINC000599873539	ref	4.09	-12.34	0	299.367	0.906	1	5	7	C=CCOC[C@H](NC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C)C(=O)OC
361823669	ZINC000599871010	ref	1.83	-9.06	0	288.307	0.267	2	5	1	Cc1c(N)cccc1NC(=O)C(=O)N1CCO[C@@H](C#N)C1
361823675	ZINC000599868334	ref	2.5	-12.19	0	294.307	0.712	1	5	3	COC(=O)c1oc(C(=O)N2CC[C@@](C)(C(N)=O)C2)cc1C
214188303	ZINC000337628645	ref	7.12	-13.37	0	272.352	2.064	1	5	4	COC1CCC(CNc2ncnc3ncccc23)CC1
214188306	ZINC000337631814	ref	2.88	-11.95	0	261.318	0.043	1	5	9	CCN(CCOCCO)C(=O)[C@@H](C)CC(=O)OC
214188310	ZINC000337630007	ref	5.43	-8.05	0	290.407	3.146	1	3	5	CCC1(C)CCN(CC(=O)Nc2ccccc2OC)CC1
214188313	ZINC000337630007	mid	7.6	-38.57	1	290.407	3.146	2	2	5	CCC1(C)CC[NH+](CC(=O)Nc2ccccc2OC)CC1
361823679	ZINC000035807644	mid	5.62	-47.62	1	273.336	2.055	1	4	4	Cc1nn(C)c(C)c1C[NH2+]Cc1cccc2c1OCO2
214188318	ZINC000337630849	ref	2.99	-13.47	0	290.319	0.848	1	4	3	COc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)ccc1O
214188320	ZINC000337630849	high	3.91	-52.05	-1	290.319	0.848	0	4	3	COc1cc(C(=O)N2CCN(C3CC3)C(=O)C2)ccc1[O-]
342080953	ZINC000625326032	mid	4.0	-11.41	0	284.4	1.029	1	4	8	CCO[C@H](C(=O)N[C@H]1CCCN(CCOC)C1)C1CC1
342080954	ZINC000625326118	ref	1.68	-12.63	0	291.413	1.149	1	4	7	O=S(=O)(CC[C@H]1CCOC1)NCC[C@@H]1CCCOC1
342080955	ZINC000625326095	ref	2.83	-36.42	1	282.771	1.562	1	4	2	Oc1ccc(Cl)c(CN2CCN3CCOC[C@H]3C2)c1
210256724	ZINC000428360187	ref	2.93	-59.72	1	326.74	0.538	2	4	4	[NH3+][C@@H]1CCN(C(=O)CNC(=O)c2c(Cl)cccc2[N+](=O)[O-])C1
210256728	ZINC000265966987	ref	3.55	-16.14	0	358.372	0.871	0	7	4	COc1cc(C(=O)N2CCS(=O)(=O)C[C@@H]2C)cc([N+](=O)[O-])c1OC
342080956	ZINC000625326095	low	1.25	-41.55	-1	282.771	1.562	2	3	2	Oc1ccc(Cl)c(C[N@@H+]2CCN3CCOC[C@H]3C2)c1
342080957	ZINC000625326095	low	2.83	-36.42	1	282.771	1.562	2	3	2	Oc1ccc(Cl)c(C[N@H+]2CCN3CCOC[C@H]3C2)c1
210256730	ZINC000428371005	ref	5.54	-19.05	0	342.403	0.804	1	5	4	C[C@@H](Cc1ccncc1)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1
214188297	ZINC000278489775	ref	6.43	-14.86	0	318.329	1.108	0	6	4	COc1cc(C#N)ccc1OC(=O)[C@H]1C[C@H](OC)CN1C(C)=O
299072306	ZINC000458825324	ref	6.32	-20.63	0	317.364	3.39	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(F)cc1)c1cc[nH]c(=O)c1
299072310	ZINC000351700305	ref	7.92	-38.6	1	297.443	1.926	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCCO1
299072315	ZINC000351700305	high	5.54	-8.76	0	297.443	1.926	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCN(C)CC1)[C@@H]1CCCO1
210256742	ZINC000265965992	ref	0.52	-14.37	0	356.448	0.385	2	6	7	CCO[C@@H]1C[C@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C12CCC2
210256748	ZINC000428344188	ref	-0.36	-17.91	0	342.408	0.426	2	4	6	CC[C@H](C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC(F)(F)[C@@H](CO)C1
210256753	ZINC000265970455	ref	4.0	-12.6	0	359.448	0.939	0	7	6	Cc1noc(C)c1S(=O)(=O)N1CCN(CCC(=O)OC(C)C)CC1
290622848	ZINC000492526054	ref	5.58	-9.8	0	286.356	2.464	1	4	5	Cc1ccncc1C=CC(=O)NCC(=O)c1cccs1
290622850	ZINC000492524784	ref	4.33	-10.1	0	251.355	2.375	1	4	5	C/C=C(/C=C/C(=O)NCc1nnc(C)s1)CC
342080958	ZINC000625326095	high	1.25	-41.55	-1	282.771	1.562	0	4	2	[O-]c1ccc(Cl)c(CN2CCN3CCOC[C@H]3C2)c1
214188299	ZINC000278489225	ref	10.71	-41.64	1	312.457	3.445	2	1	5	O=C(NC1CC[NH+](Cc2ccc(C3CCC3)cc2)CC1)C1CC1
342080959	ZINC000625326316	ref	3.06	-6.13	0	296.333	1.802	2	2	6	COCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
210256765	ZINC000428372844	ref	3.3	-12.55	0	336.417	0.831	0	5	4	CC(C)CN1CCN(S(=O)(=O)c2cccnc2C#N)[C@H](C)C1=O
282123306	ZINC000357288125	high	3.1	-8.23	0	349.519	3.084	3	3	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)N(C)C
282123314	ZINC000442632022	ref	4.39	-9.06	0	255.402	2.728	2	2	8	CCC(CC)(CO)CNC(=O)C1(CC(C)C)CC1
282123332	ZINC000353868651	ref	4.77	-17.39	0	297.439	2.543	2	3	8	CCC(CC)(CO)CNC(=O)C[C@H]1C[C@H](C(C)=O)C1(C)C
282123346	ZINC000368112230	ref	3.99	-41.28	1	268.401	1.53	3	2	6	CCC(CC)(CO)CNC(=O)C12CCC[NH+]1CCC2
365619894	ZINC000625021414	ref	4.74	-12.93	0	316.405	2.133	1	4	3	COc1cc2c(nn1)CCN(C(=O)NC[C@H]1CCCC13CC3)C2
282123357	ZINC000368112230	high	1.77	-8.53	0	268.401	1.53	2	3	6	CCC(CC)(CO)CNC(=O)C12CCCN1CCC2
365619898	ZINC000625021403	ref	7.15	-15.39	0	318.343	2.421	1	4	4	CC(C)c1nnc2n1C[C@@H](NC(=O)C[C@H](C)C(F)(F)F)CC2
365619903	ZINC000625022366	ref	6.73	-21.95	0	314.307	2.364	1	2	2	CNC(=O)[C@H]1CCCN1C(=O)c1ccc(C)c(C(F)(F)F)c1
365619909	ZINC000625021454	ref	7.82	-12.38	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@@H](C)C[C@@H]1C
365619913	ZINC000625020155	ref	6.29	-8.32	0	301.452	2.396	0	3	6	CCO[C@H](CS(=O)(=O)N1CCC[C@H]2CCC[C@@H]21)C1CC1
398245868	ZINC000650859469	high	4.81	-9.61	0	287.354	1.769	1	2	2	CN1CCC[C@@H](CNC(=O)N2CC[C@]3(C2)CC3(F)F)C1
187169744	ZINC000125093327	ref	5.72	-11.16	0	288.326	2.138	1	4	4	CC1(NC(=O)c2cn(Cc3cccc(F)c3)nn2)CCC1
136229361	ZINC000292999491	ref	-1.84	-10.27	0	242.319	0.384	4	3	6	C=C[C@H](CO)NC(=O)N[C@H]1CCC[C@@H]1CCO
299072308	ZINC000354602607	ref	-0.97	-15.42	0	328.365	0.157	3	4	6	O=C(CNS(=O)(=O)c1ccccc1F)N[C@H]1C=C[C@H](CO)C1
342597111	ZINC000590785787	ref	4.01	-15.72	0	297.358	1.049	1	4	3	Cn1ccc(CN2C[C@@H](C(N)=O)Cc3ccccc32)cc1=O
185089431	ZINC000096076191	high	3.39	-5.77	0	278.4	0.964	0	5	2	CN1CCOC[C@@]2(CCCN(Cc3cnn(C)c3)C2)C1
342597112	ZINC000590787208	ref	8.3	-92.13	2	281.444	1.706	3	1	6	CC(C)[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1
185089432	ZINC000096075901	ref	8.5	-14.95	0	286.379	1.67	1	4	3	Cc1cnc(N2CC[C@]3(C[C@@H]3C(=O)NC3CCC3)C2)nc1
342597113	ZINC000590787208	mid	8.29	-93.78	2	281.444	1.706	3	1	6	CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1
342597114	ZINC000590787208	high	6.2	-37.11	1	281.444	1.706	2	2	6	CC(C)[N@H+](C)CC1CCN([C@H](C)C(=O)NC2CC2)CC1
342597115	ZINC000590787208	high	6.18	-38.37	1	281.444	1.706	2	2	6	CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)NC2CC2)CC1
342597116	ZINC000590787587	ref	7.85	-41.81	1	263.341	1.608	2	3	5	Cc1cc(NC(=O)CC[N@@H+]2CCC[C@H]2C2CC2)no1
214188302	ZINC000278489225	high	8.35	-7.02	0	312.457	3.445	1	2	5	O=C(NC1CCN(Cc2ccc(C3CCC3)cc2)CC1)C1CC1
282123310	ZINC000248979823	high	2.73	-12.91	0	304.39	1.92	2	4	6	CC(=O)c1ccc(NC(=O)CCN2CC[C@H](C)[C@@H]2CO)cc1
214188305	ZINC000278489244	ref	6.0	-39.78	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
214188308	ZINC000278489244	mid	5.66	-41.85	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214188309	ZINC000278490050	ref	6.87	-9.51	0	306.341	2.413	0	6	6	CC1(CCCCn2nnc(-c3cccc(F)c3)n2)OCCO1
214188312	ZINC000278490822	ref	6.15	-11.1	0	301.333	3.393	1	3	8	Cc1ccc(NC(=O)CCOCC(F)F)cc1OC(C)C
136229362	ZINC000293009842	ref	4.31	-8.61	0	247.338	1.69	2	2	6	CC#CC[N@H+](C)C[C@H](O)COc1cccc(C)c1
214188315	ZINC000278490420	ref	4.69	-13.47	0	304.346	1.753	1	4	4	COC(=O)N1CC(NC(=O)c2ccc(OC)c(C3CC3)c2)C1
214188319	ZINC000278490099	ref	9.75	-17.05	0	311.345	1.566	0	5	3	CN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1nccn1C
214188321	ZINC000278490904	ref	3.74	-20.34	0	319.423	1.498	0	3	3	C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2F)CC[S@@]1=O
214188323	ZINC000278489239	ref	5.71	-40.2	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12
214188325	ZINC000278489239	mid	5.4	-41.83	1	322.796	1.416	3	3	2	O=C(Nc1ccc(Cl)cn1)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12
214188327	ZINC000278489696	ref	7.6	-12.98	0	315.442	3.429	0	4	3	CCc1cccnc1C(=O)N1CCC(c2ncc(C)s2)CC1
214188330	ZINC000278490206	ref	5.78	-8.76	0	312.416	3.097	0	7	7	CCCc1ncc(C(=O)O[C@@H](COC)c2nccs2)s1
214188333	ZINC000278490918	ref	4.06	-14.82	0	322.361	1.427	2	5	4	COC(=O)C[C@@H]1CN(C(=O)N[C@@H](C)c2cccc(O)c2)CCO1
214188335	ZINC000278490767	ref	1.26	-57.34	-1	302.302	2.512	0	4	4	Cc1nc([N-]S(=O)(=O)Cc2c(F)cccc2F)oc1C
214188337	ZINC000278490253	ref	8.09	-51.0	1	315.417	1.566	2	2	7	C[N@H+](CCNC(=O)Cc1cccc(N2CCCC2=O)c1)C1CC1
214188338	ZINC000278490253	mid	8.08	-50.73	1	315.417	1.566	2	2	7	C[N@@H+](CCNC(=O)Cc1cccc(N2CCCC2=O)c1)C1CC1
214188340	ZINC000278490253	high	5.66	-17.38	0	315.417	1.566	1	3	7	CN(CCNC(=O)Cc1cccc(N2CCCC2=O)c1)C1CC1
214188342	ZINC000278489901	ref	5.32	-13.1	0	303.366	1.069	1	6	3	Cc1nn(C)c(-n2cccn2)c1C(=O)N[C@@H]1CCOC[C@@H]1C
219048301	ZINC000286546406	ref	7.57	-6.28	0	300.402	2.235	1	2	2	C[C@@]1(c2ccccc2)CCCN(C(=O)C(=O)NC2CC2)CC1
219048718	ZINC000097696141	ref	7.86	-12.66	0	334.379	3.185	0	5	6	O=C(c1ncoc1C1CC1)N(Cc1ccncc1)Cc1ccncc1
210256153	ZINC000019522347	low	10.68	-38.47	1	375.398	4.043	1	4	4	CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@H+]3Cc3cccnc3)cc2n1
214188324	ZINC000337629358	ref	5.98	-18.09	0	286.326	2.101	1	3	4	C[C@H](Cn1cccn1)NC(=O)N1CCCC[C@@H]1C(F)F
214188328	ZINC000337632287	ref	1.0	-12.54	0	288.307	0.815	3	4	6	NC(=O)c1cc(CNC(=O)NCCc2ccccc2)on1
210256158	ZINC000019523954	ref	11.67	-45.0	1	394.519	4.992	1	5	6	CCn1ncc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C
299072309	ZINC000358088142	ref	8.77	-89.45	2	308.47	1.761	3	1	3	CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@H]1C
365619907	ZINC000617365127	low	4.88	-37.87	1	267.329	0.441	1	4	6	COC[C@H](NC(=O)Cn1cc[nH+]c1)C1CCOCC1
178304505	ZINC000237249794	mid	2.79	-22.38	0	356.488	1.094	1	5	9	COc1ccc(C[C@@H](C)CN(C)C(=O)[C@H](N)CCS(C)(=O)=O)cc1
342597117	ZINC000590787587	mid	7.54	-42.52	1	263.341	1.608	2	3	5	Cc1cc(NC(=O)CC[N@H+]2CCC[C@H]2C2CC2)no1
219048719	ZINC000097696289	ref	3.61	-11.0	0	340.43	0.333	1	8	5	CSCc1nc(CNC(=O)c2cc(=O)n(C)c(=O)n2C)cs1
210256161	ZINC000019523954	mid	11.77	-41.11	1	394.519	4.992	1	5	6	CCn1ncc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C
210256169	ZINC000019523954	mid	9.66	-9.42	0	394.519	4.992	0	6	6	CCn1ncc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)cc3)no2)c1C
178304508	ZINC000237261099	ref	6.44	-65.49	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1
342597118	ZINC000616976773	ref	5.18	-8.1	0	250.346	1.557	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2n[nH]nc2C1
178304510	ZINC000237246619	ref	7.45	-60.42	-1	363.801	1.899	0	6	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1
214188331	ZINC000337631148	ref	8.74	-8.54	0	290.363	3.27	1	3	5	CCOC(=O)c1ccccc1NC(=O)N(CC)C1CCC1
214188334	ZINC000337632361	ref	3.87	-11.52	0	255.318	0.545	1	5	7	CC(C)n1cnc(C(=O)N(C)CCOCCO)c1
349535429	ZINC000621241882	ref	10.19	-16.29	0	295.35	2.063	1	7	4	CC1CC(CNc2ncnc3c2cnn3-c2ncccn2)C1
214188341	ZINC000337632199	ref	7.09	-13.47	0	288.391	2.183	2	2	8	CCCCC(=O)N[C@H](Cc1ccccc1)C(=O)NC1CC1
185089434	ZINC000096078156	ref	3.49	-9.72	0	267.35	1.488	0	3	2	O=S(=O)(c1ccccc1)N1CCC2(CC1)COC2
299072311	ZINC000354602607	high	-1.06	-54.84	-1	328.365	0.157	2	4	6	O=C(C[N-]S(=O)(=O)c1ccccc1F)N[C@H]1C=C[C@H](CO)C1
299072313	ZINC000354601908	ref	4.6	-55.72	1	332.466	0.979	1	4	6	CCOC(=O)C1(C)CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1
214188329	ZINC000293627698	mid	4.3	-24.67	0	356.426	0.017	1	6	4	Cn1cc(CN2CCCNC(=O)[C@@H]2Cc2ccccc2)c(=O)n(C)c1=O
214188332	ZINC000293620416	ref	-0.75	-19.19	0	356.4	0.037	2	6	8	NC(=O)CNC(=O)c1ccc(OS(=O)(=O)CC[C@@H]2CCOC2)cc1
299072316	ZINC000354602355	ref	-0.68	-25.11	0	328.413	0.0	4	4	9	CCCC[C@H](NC(N)=O)C(=O)N[C@@H](CC(N)=O)C1CCOCC1
214188336	ZINC000293631726	ref	-0.49	-18.09	0	358.372	0.268	2	7	6	CS(=O)(=O)c1cc(C(=O)NC[C@H]2CC[C@@H](CO)O2)cc([N+](=O)[O-])c1
214188339	ZINC000293616919	ref	5.29	-12.14	0	369.425	0.937	1	6	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccc3c(c1)CCC3)C2
214188344	ZINC000293620698	ref	1.05	-19.63	0	370.427	0.536	0	6	4	COc1ccc(C(=O)N2CCCOC2)cc1S(=O)(=O)N1CCOCC1
342080960	ZINC000625326316	mid	5.87	-41.41	1	296.333	1.802	2	2	6	COCC[N@H+]1CCC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342080961	ZINC000625326316	high	3.06	-6.13	0	296.333	1.802	1	3	6	COCCN1CCC[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C1
342080962	ZINC000625326599	ref	0.58	-9.71	0	287.385	1.368	1	5	8	C=CC(C)(C)CCNS(=O)(=O)c1ccnn1COC
342080963	ZINC000625326628	ref	1.55	-11.27	0	279.402	1.147	1	4	8	CC[C@@H](CS(=O)(=O)NCC[C@@H]1CCCOC1)OC
214188349	ZINC000293616996	ref	2.94	-21.5	0	357.432	0.524	1	5	4	COC(=O)c1[nH]c(C)c(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1C
342080964	ZINC000625325910	ref	2.94	-10.41	0	299.392	1.855	1	4	7	COc1cccc([C@H](CNS(=O)(=O)C2(C)CC2)OC)c1
214188352	ZINC000293622085	ref	1.82	-15.55	0	357.403	0.839	1	5	3	CS(=O)(=O)C1(C(=O)N[C@@H]2COc3ccc(F)cc3C2)CCOCC1
214188356	ZINC000293623425	ref	4.08	-21.29	0	360.414	0.434	2	4	8	C[C@@H](c1ccccc1)[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(N)=O
214188362	ZINC000293627726	ref	5.36	-16.27	0	373.457	0.95	0	7	8	COCCn1nnc2c1CCN(Cc1ccccc1OCC(=O)N(C)C)C2
214188365	ZINC000293627726	low	7.61	-47.92	1	373.457	0.95	1	6	8	COCCn1nnc2c1CC[N@H+](Cc1ccccc1OCC(=O)N(C)C)C2
342080965	ZINC000625325896	ref	2.4	-10.53	0	291.413	1.149	1	4	9	O=S(=O)(CCOCC1CC1)NCC[C@@H]1CCCOC1
214188343	ZINC000337629214	ref	-0.66	-17.7	0	275.349	-0.319	3	4	10	CCCC[C@H](NC(N)=O)C(=O)N(C)CCOCCO
365619912	ZINC000617366612	ref	-0.42	-6.85	0	295.339	0.657	1	6	6	COC[C@H](NC(=O)c1cncc(OC)n1)C1CCOCC1
210256767	ZINC000265963370	ref	1.03	-19.84	0	352.42	0.035	2	6	4	Cc1ncc(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)[nH]1
210256771	ZINC000428341300	ref	2.01	-21.53	0	329.466	0.973	2	3	4	CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CCC(C(N)=O)CC2)C1
210256721	ZINC000272862522	ref	7.37	-11.73	0	316.426	3.064	0	4	4	Cc1ccnc(OC2CCN(C(=O)Cc3cccs3)CC2)c1
210256725	ZINC000272863670	ref	2.62	-17.56	0	311.407	2.022	2	5	5	CC(C)[C@@H]1C[C@H](CC(=O)Nc2ncc(C(N)=O)s2)CCO1
210256732	ZINC000272863412	ref	3.52	-9.36	0	316.348	2.377	2	3	8	CC[C@@H](NC(=O)NC[C@H](COC)OC)c1cc(F)ccc1F
210256738	ZINC000272863613	ref	5.64	-18.18	0	300.362	1.657	0	5	4	Cc1ccnc(OC2CCN(C(=O)Cn3cccn3)CC2)c1
214188346	ZINC000337630846	ref	2.99	-9.16	0	286.372	0.245	1	4	8	C[C@@H](CC(=O)N(C)CCOCCO)N1CCCCC1=O
214188348	ZINC000337628640	ref	-0.2	-11.49	0	271.317	-0.182	1	6	7	COc1c(C(=O)N(C)CCOCCO)c(C)nn1C
365638693	ZINC000625084606	ref	6.98	-16.19	0	305.296	2.253	0	3	8	COCCN(CC(F)F)C(=O)[C@@H](OC)c1ccc(F)cc1
210256743	ZINC000272861949	ref	6.19	-10.57	0	307.306	1.553	1	5	5	CCN(C(=O)C(=O)Nc1ccc(OC)c([N+](=O)[O-])c1)C1CC1
210256749	ZINC000272863780	ref	7.2	-14.41	0	318.417	2.717	0	4	4	CC[C@@H]1CC[C@H](C(=O)N2CCC(Oc3cc(C)ccn3)CC2)O1
214188351	ZINC000337628659	ref	3.98	-10.33	0	298.427	2.307	2	3	7	COCCOCCNC(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1
214188354	ZINC000337631209	ref	4.22	-13.56	0	253.306	0.619	2	5	5	COCCNC(=O)Nc1nc(C)cc(N(C)C)n1
214188357	ZINC000337628315	ref	-0.22	-12.08	0	261.297	-0.061	3	3	6	C[C@@H](NC(=O)NC[C@@H]1CCCO1)C(=O)NCCF
192038028	ZINC000418463208	ref	0.96	-51.2	1	231.34	0.385	3	2	8	CCCCN(CCO)C(=O)NC[C@@H](C)C[NH3+]
214188358	ZINC000337629945	ref	0.77	-8.24	0	262.35	0.452	2	4	10	CC[C@@H](COC)NC(=O)N(CC)CCOCCO
342080966	ZINC000625326107	ref	3.45	-35.58	1	257.374	1.276	2	3	5	CC1(CO)CC[NH+](CCOC2CCOCC2)CC1
342080967	ZINC000625326107	high	1.15	-5.15	0	257.374	1.276	1	4	5	CC1(CO)CCN(CCOC2CCOCC2)CC1
342080968	ZINC000625326481	ref	1.89	-12.42	0	257.359	1.301	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1ccn(C)n1
342080969	ZINC000625326481	high	1.49	-51.02	-1	257.359	1.301	0	4	6	C=CC(C)(C)CC[N-]S(=O)(=O)c1ccn(C)n1
342080970	ZINC000625326223	ref	2.09	-6.23	0	251.33	1.852	1	5	5	C[C@H](NCc1noc(C2CCC2)n1)[C@@H]1CCOC1
197595149	ZINC000162826732	ref	5.97	-11.9	0	316.401	3.164	2	3	4	CCOc1cccc(NC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1
398245871	ZINC000650858171	ref	2.81	-15.56	0	296.396	1.434	2	4	5	Cc1nc([C@H](C)NC(=O)NCCN2CCCC2=O)cs1
214188345	ZINC000278491013	ref	-0.02	-15.38	0	316.695	2.503	2	5	6	O=C(NCCNc1nnc(C(F)F)o1)c1ccccc1Cl
398245873	ZINC000650858802	ref	5.62	-10.62	0	274.311	1.854	1	2	5	O=C(NCCOCC1CC1)N1CC[C@]2(C1)CC2(F)F
282123313	ZINC000449155147	ref	2.5	-10.99	0	273.361	2.422	1	5	4	COc1nccc(CN[C@H]2CSc3ccccc32)n1
361823613	ZINC000599877272	ref	3.83	-17.33	0	269.304	0.934	2	3	3	N#CC1(CNC(=O)[C@H]2CNC(=O)c3ccccc32)CC1
290622849	ZINC000334705321	ref	9.23	-38.28	1	292.467	3.192	2	1	3	C[C@H]1CC[C@@](C)(C(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C
342597119	ZINC000616976773	mid	5.23	-10.9	0	250.346	1.557	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2[nH]nnc2C1
361823620	ZINC000599875504	ref	4.77	-15.57	0	287.323	0.299	0	6	2	CC1(C#N)CN(C(=O)c2ccnc(N3CCOCC3)n2)C1
197595151	ZINC000162835150	ref	7.06	-12.59	0	321.417	2.593	2	4	6	CC(C)[C@H](O)CC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1
178305499	ZINC000037491144	low	7.37	-30.21	1	244.338	3.129	1	2	1	Cc1cc2[nH+]cn([C@H]3CCCC[C@@H]3O)c2cc1C
197595153	ZINC000162833187	ref	3.04	-11.92	0	314.432	1.172	1	4	4	CNS(=O)(=O)c1cccc(C(=O)N(C)[C@H]2CCSC2)c1
197595155	ZINC000162826586	ref	6.91	-12.55	0	302.349	3.013	0	3	1	C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc23)CC(C)(C)O1
361823627	ZINC000599872885	ref	4.51	-20.36	0	290.319	0.534	1	4	3	COC(=O)[C@H](C)N(C)C(=O)[C@@H]1CNC(=O)c2ccccc21
214188347	ZINC000278490874	ref	2.88	-8.93	0	323.755	1.85	2	4	6	O=C(NC[C@@H](CO)Cc1ccc(F)cc1)c1cnc(Cl)cn1
214188353	ZINC000278490733	ref	0.73	-18.97	0	309.366	1.095	4	4	9	CCNC(=O)COc1ccc(NC(=O)NCCCCO)cc1
214188355	ZINC000278489211	ref	6.42	-48.5	1	303.406	2.04	3	2	5	COc1cc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1C
214188359	ZINC000278489211	mid	6.41	-48.37	1	303.406	2.04	3	2	5	COc1cc(C[N@H+]2CC[C@H](NC(=O)NC3CC3)C2)ccc1C
214188360	ZINC000278489211	mid	3.97	-9.7	0	303.406	2.04	2	3	5	COc1cc(CN2CC[C@H](NC(=O)NC3CC3)C2)ccc1C
214188367	ZINC000278489474	ref	5.19	-11.74	0	312.377	1.655	3	7	5	Cn1ncc2c(N)nc(NCC[C@@](C)(O)c3ccccc3)nc21
214188368	ZINC000278489474	low	5.58	-36.55	1	312.377	1.655	3	6	5	Cn1ncc2c(N)[nH+]c(NCC[C@@](C)(O)c3ccccc3)nc21
365619916	ZINC000172798031	low	7.42	-54.45	1	291.301	1.617	1	3	2	Cn1nc2c(cc1=O)C[N@@H+](Cc1cc(F)ccc1F)CC2
365619918	ZINC000172798031	low	7.62	-55.1	1	291.301	1.617	1	3	2	Cn1nc2c(cc1=O)C[N@H+](Cc1cc(F)ccc1F)CC2
398245876	ZINC000649444135	ref	5.43	-8.08	0	242.322	2.245	1	3	1	Cc1c(-c2ccc3c(c2)CC[C@H](O)C3)cnn1C
178304513	ZINC000237247110	ref	4.91	-51.17	1	372.462	1.996	1	4	7	COc1cc(F)c(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)cc1OC
365619919	ZINC000172802283	ref	7.6	-37.26	1	297.406	1.937	1	4	3	c1ccc(-n2ncc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)cc1
178304515	ZINC000237260339	ref	5.58	-60.17	1	353.85	1.807	2	3	5	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NCC(C)(C)[NH3+]
365619923	ZINC000172802283	mid	7.06	-36.55	1	297.406	1.937	1	4	3	c1ccc(-n2ncc(CN3CC[N@H+]4CCCC[C@@H]4C3)n2)cc1
365619927	ZINC000172802283	high	4.81	-7.69	0	297.406	1.937	0	5	3	c1ccc(-n2ncc(CN3CCN4CCCC[C@@H]4C3)n2)cc1
365619930	ZINC000172794987	ref	4.8	-8.98	0	260.337	1.933	1	3	2	Cc1ncccc1C(=O)N[C@H]1[C@H]2CCO[C@@H]2C1(C)C
365619936	ZINC000158174202	ref	3.44	-60.04	1	293.758	1.38	2	4	5	Cc1cc(Cl)ccc1NC(=O)Cn1cc(CC[NH3+])nn1
290622851	ZINC000450500421	low	6.2	-29.92	1	313.405	1.658	1	4	3	CNC(=O)[C@]1(C)CCN(c2nc(N(C)C)c3ccccc3[nH+]2)C1
398245880	ZINC000649443875	ref	6.4	-5.58	0	246.257	3.65	0	3	2	CCn1nc(C(F)(F)F)cc1-c1cccs1
297220755	ZINC000337858715	ref	2.33	-44.68	1	345.463	0.033	4	3	9	CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)NCCF)CC1
365619947	ZINC000172803541	ref	6.2	-12.86	0	287.359	1.92	1	3	2	CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)[C@@H]1Cc2ccccc2O1
178304517	ZINC000237257098	ref	6.18	-55.09	1	358.442	1.438	2	4	7	C[NH2+]CCCC(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1
365619955	ZINC000158180633	ref	4.49	-52.01	1	270.258	1.846	1	3	4	[NH3+]CCc1cn(Cc2ccccc2C(F)(F)F)nn1
178304521	ZINC000237247577	ref	3.86	-50.94	1	357.451	1.176	1	3	7	CN(CCCC(=O)N1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1
365619963	ZINC000172794683	ref	5.64	-12.58	0	264.325	1.455	1	4	3	Cc1cc(CC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)no1
306234470	ZINC000557850500	ref	4.28	-17.81	0	346.497	1.231	1	3	4	CN(C(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1)C1CCCCC1
365619973	ZINC000172796712	ref	6.07	-60.0	1	290.392	1.146	1	5	3	Cc1ncsc1CC[N@H+]1CCc2nn(C)c(=O)cc2C1
398245883	ZINC000649443928	ref	4.61	-42.99	1	217.312	2.159	2	1	3	C[C@@H](CO)c1ccc(C2=CC[NH2+]CC2)cc1
365619917	ZINC000625020658	ref	5.99	-10.38	0	308.422	2.156	1	3	3	O=C(NC[C@@H]1CCCC12CC2)N1CCO[C@@H]([C@@H]2CCCO2)C1
282123315	ZINC000248978975	ref	2.31	-9.98	0	305.44	1.534	1	4	5	CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)[C@H]1CCO[C@@H]1C
342080971	ZINC000625326223	mid	3.29	-37.94	1	251.33	1.852	1	4	5	C[C@H]([NH2+]Cc1noc(C2CCC2)n1)[C@@H]1CCOC1
342080972	ZINC000157764017	ref	4.69	-46.26	1	255.362	1.387	3	2	5	CC(C)NC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)C1CCC1
342080973	ZINC000625326117	ref	1.6	-13.07	0	291.413	1.149	1	4	7	O=S(=O)(CC[C@@H]1CCOC1)NCC[C@H]1CCCOC1
342080974	ZINC000625325830	ref	2.97	-10.66	0	263.403	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)C[C@@H](CC)OC
342080975	ZINC000625325823	ref	5.76	-42.39	1	281.4	1.337	3	2	7	CCO[C@H](C[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1
398245877	ZINC000650859141	ref	1.4	-9.41	0	270.373	1.265	3	3	9	O=C(NCCOCC1CC1)NCCC1(CO)CCC1
214188366	ZINC000337630278	ref	3.35	-14.42	0	280.225	2.067	2	3	5	O=C(Nc1cnn(CC(F)F)c1)NC1(C(F)F)CC1
398245879	ZINC000650859258	ref	2.57	-12.6	0	283.343	1.396	3	3	8	CCC[C@@H](O)CC(=O)NC[C@@H](O)Cc1cccc(F)c1
199273128	ZINC000294964255	ref	7.87	-40.11	1	285.409	2.155	1	4	8	COC(=O)COC[C@@H](C)[NH2+][C@H](C)Cc1ccc(C)s1
214188370	ZINC000337629096	ref	4.93	-35.24	1	284.4	0.861	2	3	7	CN(CCOCCO)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1
136229363	ZINC000293009842	mid	6.69	-41.38	1	247.338	1.69	2	2	6	CC#CC[N@@H+](C)C[C@H](O)COc1cccc(C)c1
214188373	ZINC000337629096	mid	3.85	-35.72	1	284.4	0.861	2	3	7	CN(CCOCCO)C(=O)[C@H]1CCC[N@H+]1C1CCCC1
214188374	ZINC000337629096	high	2.37	-13.31	0	284.4	0.861	1	4	7	CN(CCOCCO)C(=O)[C@H]1CCCN1C1CCCC1
214188377	ZINC000337631398	ref	7.05	-11.45	0	289.366	3.085	0	2	5	CC1(C)CCCC[C@H]1CC(=O)N1CC(OCC(F)F)C1
214188380	ZINC000337629719	ref	5.08	-9.64	0	297.37	2.033	1	3	8	CC(C)[C@H](C(=O)N(C)CCOCCO)c1ccc(F)cc1
214188382	ZINC000337629770	ref	7.27	-11.79	0	295.22	3.427	2	3	2	O=C(Nc1nc(C(F)(F)F)c[nH]1)c1coc2ccccc12
214188385	ZINC000337629770	mid	7.2	-11.1	0	295.22	3.427	2	3	2	O=C(Nc1ncc(C(F)(F)F)[nH]1)c1coc2ccccc12
214188387	ZINC000337632283	ref	8.52	-19.33	0	288.391	2.215	1	2	5	CC[C@@H]1C[C@]1(NC(=O)CC(=O)N(C)C)c1cccc(C)c1
214188389	ZINC000337630318	ref	6.44	-41.14	1	262.353	2.256	2	2	7	COCC[N@H+](Cc1cccc(NC(C)=O)c1)C1CC1
214188392	ZINC000337630318	mid	6.76	-38.63	1	262.353	2.256	2	2	7	COCC[N@@H+](Cc1cccc(NC(C)=O)c1)C1CC1
214188395	ZINC000337630318	high	4.11	-10.33	0	262.353	2.256	1	3	7	COCCN(Cc1cccc(NC(C)=O)c1)C1CC1
365619920	ZINC000625020684	ref	4.4	-13.79	0	322.409	2.499	1	5	6	CO[C@@H](C)c1noc(CN(C)C(=O)NC[C@H]2CCCC23CC3)n1
365619926	ZINC000625020699	ref	6.17	-14.12	0	307.438	2.123	2	2	3	CC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCCC23CC3)[C@@H](C)C1
365619934	ZINC000625023362	ref	5.05	-43.06	1	312.426	2.071	2	2	7	CC[N@@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C(F)(F)CC)C1
365619937	ZINC000625023362	mid	5.06	-42.95	1	312.426	2.071	2	2	7	CC[N@H+]1CC[C@H](NS(=O)(=O)CC(C)(C)C(F)(F)CC)C1
365619942	ZINC000625023362	mid	2.6	-8.14	0	312.426	2.071	1	3	7	CCN1CC[C@H](NS(=O)(=O)CC(C)(C)C(F)(F)CC)C1
365619944	ZINC000625020150	ref	6.31	-9.02	0	301.452	2.396	0	3	6	CCO[C@H](CS(=O)(=O)N1CCC[C@@H]2CCC[C@@H]21)C1CC1
282123316	ZINC000449155147	mid	3.67	-50.83	1	273.361	2.422	1	4	4	COc1nccc(C[NH2+][C@H]2CSc3ccccc32)n1
343994189	ZINC000599271253	high	2.04	-10.69	0	296.411	1.559	1	5	6	CN(C[C@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCCO1
282123320	ZINC000449155944	ref	6.02	-58.5	1	275.364	2.427	1	1	7	C[C@@H](C[NH2+]CCC[S@@](C)=O)c1cc(F)cc(F)c1
398245881	ZINC000651433628	ref	7.49	-8.75	0	260.316	3.042	1	4	3	Cc1cc(Nc2cc(F)cc(N(C)C)c2)nc(C)n1
290622852	ZINC000492526019	ref	5.67	-9.43	0	260.268	2.243	1	2	2	C/C=C/C=C\C(=O)N1CC(=O)Nc2c(F)cccc21
290622856	ZINC000492525243	ref	5.12	-11.37	0	262.353	2.336	1	3	8	CCCCOCCNC(=O)/C=C\c1cnccc1C
365619949	ZINC000625021449	ref	7.44	-11.54	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)C[C@H]1C
365619953	ZINC000625020682	ref	4.41	-13.84	0	322.409	2.499	1	5	6	CO[C@H](C)c1noc(CN(C)C(=O)NC[C@@H]2CCCC23CC3)n1
365619959	ZINC000625021598	ref	7.56	-11.04	0	320.437	2.133	0	4	2	Cc1cnn(CC2CCN(C(=O)N3C[C@H](C)O[C@H](C)C3)CC2)c1
365619964	ZINC000625022500	ref	7.26	-16.38	0	312.772	2.149	1	2	4	CNC(=O)[C@@H]1CCCN1C(=O)CCc1ccc(Cl)c(F)c1
365619969	ZINC000625020937	ref	6.66	-11.04	0	318.425	2.474	1	6	8	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCC[C@@H]1CC
365619974	ZINC000625022073	ref	5.78	-12.98	0	315.41	2.197	0	3	7	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N(C)C1CCC1
365619980	ZINC000625021405	ref	7.15	-15.4	0	318.343	2.421	1	4	4	CC(C)c1nnc2n1C[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)CC2
365619984	ZINC000625021308	ref	7.7	-10.63	0	318.425	2.474	1	6	10	CCCN(c1nnc(-c2cn[nH]c2)n1CCCOCC)C1CC1
365619989	ZINC000625020587	ref	6.69	-10.91	0	318.425	2.474	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCCC1(C)C
342597120	ZINC000616976773	mid	5.23	-11.22	0	250.346	1.557	1	3	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2nn[nH]c2C1
342597121	ZINC000590787806	ref	9.41	-36.79	1	272.352	1.37	1	4	4	O=c1n(CC[N@@H+]2CCC[C@@H]2C2CC2)nc2ccccn12
197595156	ZINC000290098603	ref	6.52	-11.77	0	275.352	2.268	1	5	4	Cn1cnc(-c2ccc(OC[C@@H](O)C(C)(C)C)cc2)n1
214188369	ZINC000293627726	low	7.61	-44.49	1	373.457	0.95	1	6	8	COCCn1nnc2c1CC[N@@H+](Cc1ccccc1OCC(=O)N(C)C)C2
342597122	ZINC000590787806	mid	9.89	-35.01	1	272.352	1.37	1	4	4	O=c1n(CC[N@H+]2CCC[C@@H]2C2CC2)nc2ccccn12
197595159	ZINC000290099850	ref	5.89	-12.21	0	268.32	1.179	1	4	5	C#CC[C@@H](Cc1ccccc1)NC(=O)c1cn(C)nn1
214188372	ZINC000293629752	ref	3.55	-15.87	0	350.415	0.939	2	5	7	COc1ccc(OC)c(CN(CCO)C(=O)[C@@H]2C[C@H](C)CC(=O)N2)c1
210256754	ZINC000272862377	ref	2.62	-11.3	0	324.421	2.598	3	4	7	COCC[C@H](NC(=O)NC[C@]1(C)CCCC[C@H]1O)c1ccco1
210256759	ZINC000272861919	ref	5.3	-14.74	0	321.333	1.848	2	5	5	COc1ccc(NC(=O)C(=O)NCC2(C)CCC2)cc1[N+](=O)[O-]
187169746	ZINC000125100091	ref	5.39	-45.72	1	278.425	2.357	1	4	7	CCn1nccc1C[NH2+]C[C@@H](c1cccs1)N(C)C
214188375	ZINC000293623946	ref	3.23	-18.13	0	353.404	0.025	0	7	4	C[C@H]1CN(C(=O)c2cc(Cn3cccn3)on2)CCN1S(C)(=O)=O
365619924	ZINC000641588936	ref	2.23	-15.95	0	270.288	1.147	2	3	1	O=C(c1cccc2cc(=O)[nH]cc12)N1C[C@@H]2C[C@]2(O)C1
210256763	ZINC000272862722	ref	9.8	-13.28	0	308.389	2.88	1	6	3	Cc1nc2c(c(N[C@@H](C)c3nnc4ccccn34)n1)CCCC2
214188379	ZINC000293629279	ref	3.86	-21.17	0	365.463	0.788	2	6	8	CCCCn1nccc1NC(=O)C(=O)NCCCC1N=NC(=S)N1C
365619931	ZINC000641589058	ref	2.16	-12.04	0	265.334	1.321	2	4	2	CSc1ccc(O)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
282123317	ZINC000172138159	high	1.69	-15.5	0	281.36	-0.145	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCCn2cccn2)CCO1
214188383	ZINC000293622072	ref	0.57	-20.92	0	361.42	0.387	1	5	4	N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CS(N)(=O)=O)C2)cc1F
214188386	ZINC000293633763	ref	4.77	-23.71	0	365.415	0.397	1	7	4	Cc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)nn1C
342597123	ZINC000590787806	high	7.01	-11.22	0	272.352	1.37	0	5	4	O=c1n(CCN2CCC[C@@H]2C2CC2)nc2ccccn12
365619935	ZINC000641589058	high	3.12	-56.97	-1	265.334	1.321	1	4	2	CSc1ccc([O-])c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
300267972	ZINC000337208350	ref	0.29	-33.31	1	270.295	0.298	3	3	4	C[C@H]1CN(C[C@](C)(O)C(F)(F)F)CC[N@@H+]1CCO
342597124	ZINC000590786797	ref	8.8	-94.31	2	283.46	1.953	3	1	7	CC[C@H](C)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597125	ZINC000590786797	mid	8.82	-92.38	2	283.46	1.953	3	1	7	CC[C@H](C)NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
197595164	ZINC000162835460	ref	7.91	-10.48	0	311.472	2.804	0	4	4	O=C(CCCc1cccs1)N1CCS[C@H]2COCC[C@H]21
342597126	ZINC000590786797	mid	6.66	-37.41	1	283.46	1.953	2	2	7	CC[C@H](C)NC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
255763877	ZINC000458721854	high	2.77	-9.62	0	339.524	2.74	3	3	8	C[C@H](CCO)CCNC(=O)NCCN1CCC2(CCCCC2)CC1
342597127	ZINC000590786797	mid	6.66	-36.09	1	283.46	1.953	2	2	7	CC[C@H](C)NC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
342597128	ZINC000590786523	ref	7.85	-90.03	2	281.444	1.729	3	1	7	C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
365619932	ZINC000623043185	mid	3.35	-56.32	-1	316.279	1.762	1	3	2	CC(=O)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c([O-])c2)C1
365619939	ZINC000623044932	ref	4.43	-12.2	0	315.32	1.43	2	4	4	Cn1c(=O)[nH]cc(C(=O)N[C@H](C(F)F)C2CCCCC2)c1=O
190494149	ZINC000269433911	ref	1.76	-16.44	0	267.329	-0.193	2	3	6	C=CC(=O)NCCC(=O)NCC(=O)N1CCCCC1
349535430	ZINC000621495947	ref	7.27	-9.99	0	277.412	3.361	2	2	2	Cc1nc(C)c(C(=O)N[C@H]2CCCC[C@@H]2C(C)(C)C)[nH]1
214188371	ZINC000278490148	ref	5.0	-19.93	0	319.448	2.309	0	6	6	CC(C)(C)c1ncc(COC(=O)CCCS(C)(=O)=O)s1
365619943	ZINC000623043958	ref	2.01	-12.77	0	323.389	1.619	3	5	8	COc1cc(CCCNC(=O)[C@](C)(O)C2CC2)cc(OC)c1O
303960032	ZINC000563541928	ref	5.96	-17.91	0	315.402	1.589	1	6	2	O=C(N[C@@H]1CSc2ccccc21)[C@@H]1CCc2nnnn2CC1
349535432	ZINC000621495834	ref	7.23	-5.54	0	267.413	3.278	1	2	4	COCC1(C(=O)N[C@H]2CCC[C@@H](C)C2)CCCCC1
349535434	ZINC000621495309	ref	6.45	-9.54	0	274.355	3.3	2	1	5	CC[C@@H]1CC[C@@H](NC(=O)NCC[C@@H]2CC2(F)F)CC1
190494152	ZINC000269432284	ref	7.35	-9.01	0	263.385	3.307	1	3	6	CCC(CC)n1ccc(C(=O)NC2(CC)CCC2)n1
365619950	ZINC000623043414	ref	3.54	-16.64	0	307.394	1.582	1	4	7	CNC(=O)CCCC(=O)N(C)Cc1c(C)cc(C)nc1OC
398245882	ZINC000650859940	ref	4.12	-11.93	0	292.379	1.965	2	3	5	C[C@H](CCO)N(C)C(=O)NC[C@H]1CCOc2ccccc21
168366199	ZINC000002534119	ref	5.47	-41.4	1	191.299	2.791	1	1	2	C[C@@H]([NH3+])Cc1csc2ccccc12
342597129	ZINC000590786523	mid	7.84	-92.2	2	281.444	1.729	3	1	7	C=CCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597130	ZINC000590786523	high	5.52	-33.53	1	281.444	1.729	2	2	7	C=CCNC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1
282123319	ZINC000248976872	ref	8.03	-41.82	1	312.479	1.984	1	3	2	C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCS1
282123322	ZINC000248976872	mid	7.98	-41.99	1	312.479	1.984	1	3	2	C[C@@H]1CC[N@@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCS1
365619938	ZINC000354674804	ref	4.01	-13.34	0	289.416	1.539	1	4	10	CC(C)OCCOC[C@@H](O)CN(C)C(=O)[C@H](C)C(C)C
365619941	ZINC000367178451	ref	5.18	-49.37	1	294.301	1.177	1	2	2	O=C(/C=C/c1c(F)cccc1F)N1CCO[C@H]2C[NH2+]C[C@H]21
178304523	ZINC000237256421	ref	4.86	-52.8	1	354.472	1.968	2	4	6	COC(=O)c1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c(C)c1
178304525	ZINC000237261707	ref	3.27	-56.46	1	359.43	1.408	2	6	7	COc1cccc(O[C@@H](C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
398245884	ZINC000651433628	low	7.89	-31.37	1	260.316	3.042	1	3	3	Cc1cc(Nc2cc(F)cc(N(C)C)c2)nc(C)[nH+]1
210256769	ZINC000272862722	low	10.19	-35.83	1	308.389	2.88	1	5	3	Cc1nc(N[C@@H](C)c2nnc3ccccn23)c2c([nH+]1)CCCC2
210256774	ZINC000272862145	ref	4.54	-9.46	0	322.43	2.923	2	4	7	COC[C@@H](CNC(=O)N[C@H](C)c1cc2ccccc2s1)OC
178304527	ZINC000237256478	ref	5.51	-52.85	1	358.442	1.845	3	3	5	C[NH2+]Cc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1
178304530	ZINC000237256478	high	4.07	-14.45	0	358.442	1.845	3	4	5	CNCc1cccc(NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)c1
210256778	ZINC000272862506	ref	6.48	-14.84	0	311.381	3.322	1	3	4	C[C@H](O)[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1
210256784	ZINC000272862434	ref	5.03	-14.69	0	304.39	1.41	2	3	5	CC(C)N1C[C@H](NC(=O)C[C@@](C)(O)c2ccccc2)CC1=O
210256789	ZINC000272862022	ref	6.4	-9.09	0	315.417	3.335	2	3	5	CC[C@@H]1C[C@H](CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1
210256795	ZINC000272861884	ref	1.51	-5.73	0	322.365	0.697	1	6	4	COc1ncncc1NC(=O)C(=O)N1CCOC[C@@H]1CC(C)C
210256800	ZINC000272863132	ref	4.89	-18.08	0	308.334	2.044	2	5	5	CCOC(=O)[C@@H](C)CNC(=O)Nc1cc2c(cc1C)OCO2
210256806	ZINC000272862028	ref	6.2	-8.94	0	315.417	3.335	2	3	5	CC[C@H]1C[C@H](CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCO1
178304532	ZINC000237251843	ref	4.51	-66.56	-1	350.396	1.955	0	7	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2nc(-c3ccsc3)oc2C)C1
210256812	ZINC000272862411	ref	5.34	-8.6	0	308.426	2.548	1	4	2	Cc1n[nH]cc1CN1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C
210256817	ZINC000272862411	low	7.29	-42.56	1	308.426	2.548	2	3	2	Cc1n[nH]cc1C[N@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C
214725028	ZINC000279232317	ref	10.77	-39.34	1	302.418	2.54	1	3	5	COC(=O)C1(C[NH+]2CCC(N(C)c3ccccc3)CC2)CC1
214725031	ZINC000279233382	ref	8.63	-8.36	0	307.459	3.434	0	3	2	Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](C(C)(C)C)C1
342080976	ZINC000625325823	mid	5.76	-42.76	1	281.4	1.337	3	2	7	CCO[C@H](C[N@H+]1CC[C@H](NC(=O)NC2CC2)C1)C1CC1
343994191	ZINC000139368967	high	3.9	-4.73	0	176.263	1.923	0	2	2	C[C@@H]1CCN(Cc2ccccn2)C1
342080977	ZINC000625325823	high	4.23	-7.49	0	281.4	1.337	2	3	7	CCO[C@H](CN1CC[C@H](NC(=O)NC2CC2)C1)C1CC1
342080978	ZINC000625325879	ref	3.66	-10.62	0	275.414	1.913	1	3	7	O=S(=O)(CCC1CCC1)NCC[C@@H]1CCCOC1
214725039	ZINC000279233876	ref	8.72	-54.29	1	324.371	3.175	1	2	4	O=C(OCc1ccccc1)N1CCC([NH2+]C2CC(F)(F)C2)CC1
342080979	ZINC000625325835	ref	2.87	-11.9	0	275.414	1.935	1	3	8	C=CC(C)(C)CCNS(=O)(=O)CC[C@@H]1CCOC1
342080980	ZINC000625326194	ref	3.36	-8.58	0	261.387	1.687	1	3	8	C=CC(C)(C)CCNS(=O)(=O)C1(COC)CC1
343994192	ZINC000139404151	ref	6.81	-9.06	0	181.264	1.742	0	4	5	C=CCSc1ncn(CC=C)n1
342080981	ZINC000157763861	ref	4.91	-46.38	1	255.362	1.387	3	2	5	CC(C)NC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)C1CCC1
342080982	ZINC000625326310	ref	2.68	-11.2	0	271.386	1.609	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cn(C)nc1C
342080983	ZINC000625326155	ref	1.22	-6.35	0	265.357	1.931	1	5	4	CC1(CO)CCN(Cc2noc(C3CCC3)n2)CC1
342080984	ZINC000625326155	low	3.45	-33.73	1	265.357	1.931	2	4	4	CC1(CO)CC[NH+](Cc2noc(C3CCC3)n2)CC1
295666440	ZINC000412985655	ref	3.88	-10.51	0	320.37	2.791	0	7	6	COC(=O)C1(CSc2nnc(-c3ccc(OC)cc3)o2)CC1
342080985	ZINC000625327542	ref	2.34	-14.73	0	258.343	1.696	1	4	7	C=CC(C)(C)CCNS(=O)(=O)Cc1ccon1
342080986	ZINC000625326424	ref	1.29	-13.17	0	299.396	1.546	1	5	6	C=CC(C)(C)CCNS(=O)(=O)c1cnn2c1OCCC2
136229364	ZINC000293009842	mid	4.31	-8.61	0	247.338	1.69	1	3	6	CC#CCN(C)C[C@H](O)COc1cccc(C)c1
342080987	ZINC000625326424	high	0.88	-50.97	-1	299.396	1.546	0	5	6	C=CC(C)(C)CC[N-]S(=O)(=O)c1cnn2c1OCCC2
185089448	ZINC000096075822	ref	5.99	-13.08	0	289.379	1.688	1	3	2	CN1C(=O)CCC12CCC(NC(=O)c1cccn1C)CC2
342080988	ZINC000625325997	ref	4.81	-9.2	0	287.425	1.769	1	3	8	O=S(=O)(CCOCC1CC1)NC[C@@H]1CC[C@H]2C[C@H]2C1
342080989	ZINC000625325813	ref	2.39	-11.96	0	293.429	1.395	1	4	9	CCOC[C@H](C)CS(=O)(=O)NCC[C@@H]1CCCOC1
342080990	ZINC000625326668	ref	0.27	-8.35	0	297.399	1.684	3	6	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
214188378	ZINC000278490440	ref	4.12	-11.62	0	309.357	2.962	2	3	6	CC[C@H](C)[C@H](NC(=O)NCCc1nccs1)C(F)(F)F
214188381	ZINC000278489370	ref	6.61	-14.12	0	315.417	3.479	2	4	7	CC[C@H](O)c1nccn1CC(=O)Nc1ccc([C@H](C)CC)cc1
214188384	ZINC000278489859	ref	7.03	-51.64	-1	318.402	1.832	0	5	4	CN(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ncn1
214188388	ZINC000278489859	low	7.51	-12.19	0	318.402	1.832	1	5	4	CN(C)c1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)ncn1
214188391	ZINC000278489830	ref	7.58	-17.77	0	304.379	2.594	0	8	3	Cc1nc([C@@H](C)Sc2nc3nc(C)c(C)c(C)n3n2)no1
299072312	ZINC000358088142	mid	9.15	-90.85	2	308.47	1.761	3	1	3	CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@H]1C
365619940	ZINC000641588863	ref	5.48	-14.53	0	275.348	1.493	1	3	4	Cc1ccc(CO[C@H](C)C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
290622853	ZINC000334705321	high	7.28	-6.67	0	292.467	3.192	1	2	3	C[C@H]1CC[C@@](C)(C(=O)NC2CCN(C3CC3)CC2)C1(C)C
214188397	ZINC000278490897	ref	3.72	-19.82	0	319.423	1.498	0	3	3	C[C@@H]1CCN(S(=O)(=O)Cc2ccccc2F)CC[S@]1=O
214188399	ZINC000278489468	ref	5.23	-11.67	0	312.377	1.655	3	7	5	Cn1ncc2c(N)nc(NCC[C@](C)(O)c3ccccc3)nc21
214188402	ZINC000278489468	low	5.62	-36.43	1	312.377	1.655	3	6	5	Cn1ncc2c(N)[nH+]c(NCC[C@](C)(O)c3ccccc3)nc21
214188404	ZINC000278490955	ref	2.95	-16.28	0	323.386	1.354	0	3	2	C[C@H]1CN(S(=O)(=O)c2cccc(F)c2F)CC[S@@](=O)C1
214188407	ZINC000278490586	ref	8.87	-50.66	1	324.428	2.455	1	4	4	Cn1nccc1N1CCC[C@H]([NH2+]CC2=Cc3ccccc3OC2)C1
214188410	ZINC000278490586	high	7.65	-7.49	0	324.428	2.455	1	5	4	Cn1nccc1N1CCC[C@H](NCC2=Cc3ccccc3OC2)C1
342597131	ZINC000590786523	high	5.52	-33.16	1	281.444	1.729	2	2	7	C=CCNC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1
342597132	ZINC000590785521	ref	4.35	-47.68	1	262.353	1.319	3	2	4	CCNC(=O)CC[N@@H+]1CCc2ccc(O)cc2CC1
214188412	ZINC000278490227	ref	8.5	-39.79	1	312.866	2.963	2	2	5	CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1
214188415	ZINC000278490227	mid	8.54	-39.98	1	312.866	2.963	2	2	5	CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)C1
365619945	ZINC000641589045	ref	5.03	-14.79	0	261.321	1.105	1	3	4	Cc1ccccc1COCC(=O)N1C[C@@H]2C[C@]2(O)C1
365619948	ZINC000641589144	ref	0.56	-10.76	0	298.136	1.361	2	3	1	O=C(c1cc(O)cc(Br)c1)N1C[C@@H]2C[C@]2(O)C1
365619951	ZINC000641589144	high	1.32	-49.29	-1	298.136	1.361	1	3	1	O=C(c1cc([O-])cc(Br)c1)N1C[C@@H]2C[C@]2(O)C1
398245885	ZINC000650859877	ref	2.16	-11.28	0	296.342	1.572	3	3	6	O=C(NC[C@H]1CCOc2ccccc21)N[C@H](CO)CCF
342597133	ZINC000590785521	mid	4.35	-47.95	1	262.353	1.319	3	2	4	CCNC(=O)CC[N@H+]1CCc2ccc(O)cc2CC1
342597134	ZINC000590786562	ref	7.92	-93.41	2	267.417	1.317	3	1	6	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC2CC2)CC1
178304538	ZINC000237247186	ref	2.05	-54.09	1	353.366	1.871	3	3	6	C[NH2+]C[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O
342597135	ZINC000590786562	mid	7.92	-95.32	2	267.417	1.317	3	1	6	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2CC2)CC1
342597136	ZINC000590786562	mid	5.76	-36.4	1	267.417	1.317	2	2	6	CC(C)[N@H+](C)CC1CCN(CC(=O)NC2CC2)CC1
214725042	ZINC000338695607	ref	1.81	-20.36	0	273.314	0.992	2	5	5	Cc1cccc(NC[C@@H](C)S(N)(=O)=O)c1[N+](=O)[O-]
342597137	ZINC000590786562	mid	5.75	-37.73	1	267.417	1.317	2	2	6	CC(C)[N@@H+](C)CC1CCN(CC(=O)NC2CC2)CC1
282123321	ZINC000151684715	ref	4.45	-43.27	1	310.463	2.455	2	4	5	CC(C)c1csc([C@@H]2CCC[N@H+](CC3(CO)COC3)C2)n1
282123326	ZINC000151684715	mid	3.88	-43.27	1	310.463	2.455	2	4	5	CC(C)c1csc([C@@H]2CCC[N@@H+](CC3(CO)COC3)C2)n1
282123329	ZINC000151684715	high	2.33	-5.95	0	310.463	2.455	1	5	5	CC(C)c1csc([C@@H]2CCCN(CC3(CO)COC3)C2)n1
282123334	ZINC000151689357	ref	4.3	-17.42	0	315.395	2.035	2	5	9	CCCS(=O)(=O)NCCCNc1ccc(C)cc1[N+](=O)[O-]
361823617	ZINC000612423656	ref	3.98	-9.1	0	318.186	2.408	2	2	6	CCC[C@H](O)CNC(=O)Cc1ccc(Br)cc1F
168366205	ZINC000043376975	ref	1.83	-39.56	1	196.216	1.359	1	1	3	C[C@@H]([NH3+])[C@@H](N(C)C1CC1)C(F)(F)F
342597138	ZINC000590785572	ref	5.84	-41.71	1	262.353	1.271	2	2	3	CCN(C)C(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
342597139	ZINC000590785572	mid	5.83	-42.49	1	262.353	1.271	2	2	3	CCN(C)C(=O)C[N@H+]1CCc2ccc(O)cc2CC1
361823623	ZINC000612423823	ref	4.09	-8.76	0	305.418	2.33	2	3	7	CCC(CC)[C@H](O)CNC(=O)[C@H]1COC[C@@H]1c1ccccc1
361823626	ZINC000612423786	ref	7.2	-10.89	0	301.394	2.476	1	5	6	CCc1c(C(=O)Nc2ccc(N(CC)CC)nc2)cnn1C
361823634	ZINC000612425825	ref	3.76	-13.47	0	317.389	2.214	3	4	6	CC[C@H](C)[C@@H](O)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CC1
361823637	ZINC000612425240	ref	5.87	-9.79	0	305.418	2.472	2	3	7	CCC(CC)[C@@H](O)CNC(=O)[C@@H]1OCC[C@@H]1c1ccccc1
361823641	ZINC000612423296	ref	3.45	-13.61	0	319.405	2.289	3	4	7	CCC(CC)[C@H](O)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2CC
361823649	ZINC000612423699	ref	2.26	-8.27	0	312.376	2.076	3	3	9	CCC(CC)[C@H](O)CNC(=O)[C@@H](NCC(F)(F)F)C(C)C
210256819	ZINC000272862411	low	7.09	-44.18	1	308.426	2.548	2	3	2	Cc1n[nH]cc1C[N@@H+]1C[C@H](C)N(C(=O)OC(C)(C)C)C[C@@H]1C
178304540	ZINC000237247186	high	2.05	-61.17	0	353.366	1.871	2	3	6	C[NH2+]C[C@@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O
178304542	ZINC000237249913	ref	3.83	-65.74	1	371.478	1.47	2	3	8	CN(CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1
178304544	ZINC000237261377	ref	2.81	-19.82	0	355.398	1.65	3	6	4	COc1cc(NC(=O)Cc2c(C)nc3c(c2C)c(=O)[nH]n3C)ccc1N
178304547	ZINC000237257926	ref	5.57	-40.0	1	353.488	1.539	1	3	6	C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(S(=O)(=O)N(C)C(C)C)c1
178304551	ZINC000237260660	ref	4.88	-52.37	1	351.472	1.298	1	3	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1
136229365	ZINC000293189404	ref	6.6	-4.57	0	234.242	2.31	0	3	5	C=CCC(F)(F)C(=O)OC[C@@H]1CCCCO1
178304553	ZINC000237260699	ref	6.49	-62.51	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1
136229366	ZINC000184983987	ref	9.19	-40.69	1	249.383	2.069	1	3	3	CC#CCC[N@@H+]1CCCN(c2nccs2)CC1
210256733	ZINC000019524569	ref	3.64	-18.73	0	376.461	0.186	1	6	5	CCn1cc(CN2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c(C)n1
136229367	ZINC000184983987	mid	9.19	-40.67	1	249.383	2.069	1	3	3	CC#CCC[N@H+]1CCCN(c2nccs2)CC1
210256735	ZINC000019524569	low	5.99	-53.48	1	376.461	0.186	2	5	5	CCn1cc(C[NH+]2CCN(C(=O)CN3C(=O)NC(C)(C)C3=O)CC2)c(C)n1
178304555	ZINC000237245924	ref	5.05	-53.53	1	359.401	1.93	3	3	9	COCC[NH2+]CC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1
178304557	ZINC000237245924	mid	3.71	-16.85	0	359.401	1.93	3	4	9	COCCNCC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2)cc1
178304559	ZINC000237259426	ref	2.69	-46.64	1	350.282	1.403	2	3	7	C[NH2+]CCCNS(=O)(=O)c1cc(N(C)C)ccc1Br
349535431	ZINC000621241882	low	10.58	-44.36	1	295.35	2.063	1	6	4	CC1CC(CNc2[nH+]cnc3c2cnn3-c2ncccn2)C1
210256740	ZINC000019525347	ref	10.12	-44.39	1	383.492	3.338	1	4	5	CCCc1cc(C(=O)N2CCC[C@@H]3[C@H]2[C@@H](c2ccc(OC)cc2)C[N@@H+]3C)no1
219048720	ZINC000286548546	ref	1.65	-13.94	0	320.315	0.823	1	5	5	C[C@@H](C(=O)NC[C@@H](N1CCOCC1)C(F)(F)F)n1cccn1
136229368	ZINC000184983987	high	7.15	-5.78	0	249.383	2.069	0	4	3	CC#CCCN1CCCN(c2nccs2)CC1
136229369	ZINC000195245909	ref	2.07	-51.41	1	239.319	-0.419	2	2	4	CCCC(=O)NCC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
365619946	ZINC000354674778	ref	5.45	-13.45	0	277.368	1.833	1	3	4	CO[C@H]1CCCN(C(=O)N[C@@H](C)Cc2ccncc2)C1
342080991	ZINC000625326668	low	1.44	-45.42	1	297.399	1.684	3	5	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
398245886	ZINC000651440475	ref	3.65	-9.14	0	291.376	3.369	0	6	3	CC1(C)C[C@@H](c2noc(/C=C\c3cncs3)n2)CCO1
365619952	ZINC000354675815	ref	7.73	-10.49	0	299.367	1.376	0	5	4	COC(=O)[C@H](C)CC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1
299072314	ZINC000358088142	mid	8.76	-88.96	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@H]1C
342080992	ZINC000625325870	ref	2.45	-11.5	0	254.355	1.962	1	3	6	C=CC(C)(C)CCNS(=O)(=O)c1ccccn1
214188390	ZINC000293616868	ref	3.19	-13.68	0	360.414	0.421	3	4	5	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C)C(C)C
282123325	ZINC000248976872	mid	5.91	-7.87	0	312.479	1.984	0	4	2	C[C@@H]1CCN(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CCS1
282123331	ZINC000248979187	ref	1.73	-39.3	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)[C@H]2CO)cc1
349535433	ZINC000621242746	ref	5.5	-7.22	0	294.42	2.31	1	4	6	CCCc1ccc([C@@H]2NC3(CC3)C(=O)N2CCOC)s1
349535435	ZINC000621243300	ref	4.61	-8.42	0	266.772	2.095	1	2	5	O=C1CN(CCCCc2cccc(Cl)c2)CCN1
349535436	ZINC000621243300	mid	7.17	-48.27	1	266.772	2.095	2	1	5	O=C1C[N@H+](CCCCc2cccc(Cl)c2)CCN1
210256745	ZINC000019525347	mid	10.36	-40.55	1	383.492	3.338	1	4	5	CCCc1cc(C(=O)N2CCC[C@@H]3[C@H]2[C@@H](c2ccc(OC)cc2)C[N@H+]3C)no1
210256747	ZINC000019525347	high	8.06	-7.06	0	383.492	3.338	0	5	5	CCCc1cc(C(=O)N2CCC[C@@H]3[C@H]2[C@@H](c2ccc(OC)cc2)CN3C)no1
210256752	ZINC000019524244	ref	8.25	-17.42	0	392.459	3.305	2	6	6	CCn1c(=O)n(CC)c2cc(NCc3cc4cc(OC)ccc4[nH]c3=O)ccc21
349535438	ZINC000621243300	mid	7.17	-48.03	1	266.772	2.095	2	1	5	O=C1C[N@@H+](CCCCc2cccc(Cl)c2)CCN1
210256758	ZINC000019526484	ref	10.13	-14.24	0	394.523	3.286	0	6	6	CCN(CC)c1cc(C2CCN(C(=O)C3CCC3)CC2)nc(-c2cnccn2)n1
342080993	ZINC000625325870	high	2.06	-49.32	-1	254.355	1.962	0	3	6	C=CC(C)(C)CC[N-]S(=O)(=O)c1ccccn1
282123333	ZINC000248979187	mid	2.38	-42.36	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)cc1
342080994	ZINC000625326225	ref	2.01	-6.05	0	251.33	1.852	1	5	5	C[C@@H](NCc1noc(C2CCC2)n1)[C@@H]1CCOC1
192038030	ZINC000418464498	ref	-0.85	-51.88	1	245.367	0.679	4	2	9	CCC[C@H](CCO)CNC(=O)NC[C@@H](C)C[NH3+]
365619954	ZINC000354675731	ref	4.8	-15.23	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@@H]1C[C@@H]1c1cc(F)ccc1F
365619958	ZINC000354675736	ref	4.87	-16.21	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1C[C@@H]1c1cc(F)ccc1F
290622854	ZINC000257312187	ref	3.31	-23.71	0	331.376	-0.337	1	5	4	CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CN1CCCC1=O
214188394	ZINC000293625050	ref	5.46	-14.59	0	361.446	0.999	2	5	4	CC(C)C[C@@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cn(C)nc1C1CC1
214188400	ZINC000293618755	ref	2.12	-16.24	0	362.249	0.95	0	4	3	CN(C(=O)c1ccncc1Br)[C@@H]1CCN(S(C)(=O)=O)C1
214188405	ZINC000293629706	ref	-0.24	-15.86	0	357.354	0.601	1	6	5	Cn1cc(S(=O)(=O)N2CCC[C@@H](OCCO)C2)c(C(F)(F)F)n1
214188409	ZINC000293629049	ref	3.46	-21.13	0	363.414	0.973	1	5	6	CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@H]1COC
214188414	ZINC000293635202	ref	4.12	-25.37	0	365.459	0.76	0	6	3	Cc1cc(C)n2nc(C)c(C(=O)N(C)[C@H]3CCN(S(C)(=O)=O)C3)c2n1
214188418	ZINC000293625120	ref	2.69	-13.85	0	370.203	0.727	2	5	6	CN(CCOCCO)C(=O)C(=O)Nc1ccc(Br)c(C#N)c1
214188423	ZINC000293622282	ref	4.44	-55.61	1	367.471	0.94	1	4	4	CON(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3CC2)cc1
214188427	ZINC000293634992	ref	0.88	-12.39	0	364.446	0.42	3	5	9	CC[C@H](C)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCCN1CCOCC1
214188432	ZINC000293634992	low	3.3	-50.6	1	364.446	0.42	4	4	9	CC[C@H](C)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCC[NH+]1CCOCC1
214188436	ZINC000293619778	ref	2.04	-16.63	0	369.443	0.761	2	6	8	COC(=O)c1cc(S(=O)(=O)NCCCNC(=O)C2CCC2)cnc1C
214188439	ZINC000293619848	ref	5.46	-29.61	0	351.432	0.827	1	7	3	Cc1cc(C)n2nc(C(=O)N[C@@H]3CCCC[C@H]3S(C)(=O)=O)nc2n1
214188442	ZINC000293621944	ref	0.74	-14.77	0	356.429	0.098	2	6	4	CCNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C1
214188445	ZINC000293625925	ref	0.63	-14.44	0	355.398	0.612	4	5	5	NC(=O)N[C@H](CO)C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1
214188447	ZINC000293625925	mid	0.97	-40.03	1	355.398	0.612	4	4	5	NC(=O)N[C@H](CO)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1
214188451	ZINC000293619521	ref	7.21	-45.72	1	362.409	0.732	2	5	6	Cc1c(NC(=O)C(=O)N(C)CC[NH+](C)C)nnn1Cc1ccccc1F
214188454	ZINC000293619521	high	4.74	-12.83	0	362.409	0.732	1	6	6	Cc1c(NC(=O)C(=O)N(C)CCN(C)C)nnn1Cc1ccccc1F
210256764	ZINC000019523642	ref	11.06	-16.57	0	383.427	3.291	1	6	6	CCc1nccn1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1
210256770	ZINC000019523642	mid	11.4	-42.52	1	383.427	3.291	1	5	6	CCc1[nH+]ccn1CCC(=O)N1CCc2onc(Nc3ccccc3F)c2C1
210256773	ZINC000019526469	ref	4.98	-15.96	0	395.529	1.147	0	5	5	CCN(CC)S(=O)(=O)N1CCc2nc(C3CCN(C(C)=O)CC3)ncc2C1
210256777	ZINC000019524521	ref	11.29	-47.9	1	395.551	3.476	2	4	7	CCn1cc(C[NH+]2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)c(C)n1
210256781	ZINC000019524521	mid	8.9	-10.89	0	395.551	3.476	1	5	7	CCn1cc(CN2CCC([C@@H](NC(=O)C3CCC3)c3ccccn3)CC2)c(C)n1
210256787	ZINC000019523455	ref	10.5	-56.9	1	382.483	3.157	1	3	4	CCc1ncc(C[N@@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cn1
210256792	ZINC000019523455	mid	10.18	-63.89	1	382.483	3.157	1	3	4	CCc1ncc(C[N@H+]2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cn1
210256793	ZINC000019523455	mid	8.17	-11.09	0	382.483	3.157	0	4	4	CCc1ncc(CN2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCCN3C(C)=O)cn1
210256797	ZINC000019525913	ref	9.58	-11.66	0	384.505	4.684	1	6	7	CCCn1ncc(C(=O)Nc2nc(-c3cc(C)ccc3OCC)cs2)c1C
210256803	ZINC000019526862	ref	6.54	-21.58	0	385.468	0.565	0	5	3	CCN1C[C@H](C(=O)N2CC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O
210256761	ZINC000000642822	high	5.39	-38.86	-1	356.245	2.624	0	4	1	CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(c2cccc(Br)c2)S1
365619956	ZINC000641588870	ref	5.74	-10.0	0	257.333	1.692	1	2	2	Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@@H]2C[C@]2(O)C1
210256768	ZINC000000643093	ref	6.78	-15.02	0	355.419	2.683	1	6	6	CCOC(=O)c1c(C)nc(SCC(N)=O)c(C#N)c1-c1ccccc1
210256775	ZINC000000646267	ref	3.98	-9.06	0	354.284	3.504	2	4	3	COc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2ccccc2O1
210256782	ZINC000000640911	ref	8.7	-6.2	0	362.665	5.98	1	3	3	CSc1ccc(NC(=O)Oc2cc(Cl)c(Cl)cc2Cl)cc1
210256790	ZINC000000640741	ref	10.38	-5.61	0	351.705	5.793	1	1	5	CC(C)CN(CC(C)C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl
342597140	ZINC000590785572	mid	4.07	-10.67	0	262.353	1.271	1	3	3	CCN(C)C(=O)CN1CCc2ccc(O)cc2CC1
342597141	ZINC000616976739	ref	1.34	-13.97	0	299.396	1.298	1	4	5	CC[C@@H](C)N(CC)C(=O)c1cc(S(N)(=O)=O)cnc1C
192038032	ZINC000418432469	ref	0.04	-46.3	1	245.367	0.963	4	2	7	CCC([NH3+])(CC)CNC(=O)N[C@H](C)C[C@H](C)O
342597142	ZINC000616976721	ref	8.07	-12.29	0	290.371	1.446	1	6	6	CC[C@H](C)N(CC)C(=O)CCn1cnc2c(N)ncnc21
365619957	ZINC000623043241	ref	4.88	-37.44	1	321.421	1.385	1	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H]1C[C@H](OC)C[N@H+]1C
398245887	ZINC000649443881	ref	3.86	-7.09	0	242.318	2.942	2	2	4	C[C@@H](CO)c1ccc(-c2ccc(CO)cc2)cc1
398245891	ZINC000649444023	ref	5.39	-11.96	0	243.31	2.032	1	3	3	CC(=O)NCc1ccc(-c2cnn(C)c2C)cc1
342597143	ZINC000590785338	ref	5.78	-42.12	1	290.407	1.953	3	2	4	CC(C)[C@H](C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
365619961	ZINC000623043241	mid	4.62	-39.26	1	321.421	1.385	1	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C
342597144	ZINC000590785338	mid	5.78	-42.98	1	290.407	1.953	3	2	4	CC(C)[C@H](C)NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
365619968	ZINC000623043241	mid	2.16	-7.41	0	321.421	1.385	0	5	5	COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H]1C[C@H](OC)CN1C
342597145	ZINC000590785338	mid	4.31	-9.95	0	290.407	1.953	2	3	4	CC(C)[C@H](C)NC(=O)CN1CCc2ccc(O)cc2CC1
365619972	ZINC000623042588	ref	5.03	-17.13	0	321.402	1.079	1	4	4	CC1(C)C(=O)NC(=O)N1CC(=O)N1CC(Cc2ccsc2)C1
365619979	ZINC000623044101	ref	3.22	-20.73	0	320.345	1.689	2	6	8	COc1cc(CCCNC(=O)Cc2ccon2)cc(OC)c1O
365619987	ZINC000623043434	ref	2.31	-15.59	0	320.393	1.209	1	4	4	COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H]1CCCN1C(N)=O
365619991	ZINC000623043562	ref	0.91	-13.82	0	311.378	1.477	3	5	8	COc1cc(CCCNC(=O)C(C)(C)CO)cc(OC)c1O
365619998	ZINC000623044335	ref	4.34	-7.03	0	302.374	1.365	2	3	4	C[C@H]1c2ccccc2CN1C(=O)[C@H](NC(=O)C1CC1)[C@@H](C)O
365620006	ZINC000623043547	ref	0.05	-13.35	0	303.318	1.605	2	6	6	COC[C@@](C)(O)C(=O)Nc1ccc(Oc2cccnn2)cc1
365620013	ZINC000623042398	ref	5.43	-15.44	0	322.43	1.122	1	4	4	O=C(CN1CCCC[C@H](O)C1=O)N1CC(Cc2ccsc2)C1
365620018	ZINC000623042857	ref	6.93	-17.13	0	322.455	1.814	0	4	3	O=C1CC[C@]2(C(=O)N3CC(Cc4ccsc4)C3)SCCN12
342597146	ZINC000590786332	ref	6.74	-97.78	2	255.406	1.175	3	1	6	CNC(=O)CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1
365620025	ZINC000623043433	ref	0.56	-12.79	0	317.345	1.785	2	5	4	COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(O)cc(=O)[nH]1
342597147	ZINC000590786332	mid	6.75	-98.61	2	255.406	1.175	3	1	6	CNC(=O)CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
365620032	ZINC000623043879	ref	2.75	-14.08	0	311.378	1.475	3	5	8	COc1cc(CCCNC(=O)[C@@H](O)C(C)C)cc(OC)c1O
343994193	ZINC000057362450	ref	5.08	-44.57	-1	286.287	1.589	1	5	6	O=C([O-])c1ccc(C(=O)NCCOc2ccccc2)nc1
343994204	ZINC000599272637	ref	6.05	-15.74	0	265.357	1.841	0	3	1	C[C@H]1CN(C(=O)N2CCC(CC#N)CC2)C[C@@H](C)O1
342080995	ZINC000625326225	mid	3.15	-39.01	1	251.33	1.852	1	4	5	C[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@@H]1CCOC1
343994210	ZINC000599272245	ref	5.3	-22.67	0	270.283	1.875	1	4	6	CC(C)C[C@H](C#N)NC(=O)Cn1ccc(C(F)F)n1
214188396	ZINC000337629345	ref	7.5	-42.72	1	290.407	3.146	2	2	5	CCC1(C)CC[NH+](CC(=O)Nc2cccc(OC)c2)CC1
398245888	ZINC000650858671	ref	4.83	-7.86	0	296.411	1.917	2	3	8	O=C(NCCOCC1CC1)N[C@H](C1CCOCC1)C1CC1
214188398	ZINC000337629345	mid	5.33	-11.68	0	290.407	3.146	1	3	5	CCC1(C)CCN(CC(=O)Nc2cccc(OC)c2)CC1
199273129	ZINC000181264848	ref	5.14	-39.21	1	300.399	1.897	2	2	7	CC[N@H+](CCNS(=O)(=O)c1cccc(C)c1F)C1CC1
199273131	ZINC000181264848	mid	5.25	-39.44	1	300.399	1.897	2	2	7	CC[N@@H+](CCNS(=O)(=O)c1cccc(C)c1F)C1CC1
214188401	ZINC000337630406	ref	2.97	-14.08	0	287.36	-0.087	1	4	6	COCCOCCNC(=O)N1CCCN(C(C)=O)CC1
178305504	ZINC000130778382	ref	5.01	-21.18	0	245.282	1.762	1	4	2	Cc1cc2ncn(C[C@H]3CNC(=O)O3)c2cc1C
214188403	ZINC000337630153	ref	2.58	-17.94	0	298.387	-0.419	1	4	3	COCC(=O)N1CCC(NC(=O)N2CCN(C)CC2)CC1
214188406	ZINC000337630153	mid	4.95	-55.66	1	298.387	-0.419	2	3	3	COCC(=O)N1CCC(NC(=O)N2CC[NH+](C)CC2)CC1
214188411	ZINC000337629879	ref	5.94	-10.31	0	292.326	3.369	2	2	6	CCSCCCNC(=O)Nc1cc(F)c(F)c(F)c1
214188416	ZINC000337629551	ref	2.2	-42.59	1	267.329	0.228	1	4	7	CN(CCOCCO)C(=O)c1c[nH+]ccc1N(C)C
214188419	ZINC000337629551	mid	1.73	-9.5	0	267.329	0.228	1	5	7	CN(CCOCCO)C(=O)c1cnccc1N(C)C
214188424	ZINC000337630589	ref	5.22	-14.02	0	268.276	2.421	1	5	3	Cc1ccoc1C(=O)Nc1cnccc1-n1cccn1
214188426	ZINC000337630589	mid	5.66	-38.56	1	268.276	2.421	1	4	3	Cc1ccoc1C(=O)Nc1c[nH+]ccc1-n1cccn1
214188428	ZINC000337629590	ref	0.89	-43.11	-1	275.264	0.549	1	5	3	O=C(N[C@H]1CCOC1)c1ccc(-c2nc(=O)o[n-]2)cc1
214188430	ZINC000337629590	low	0.87	-18.49	0	275.264	0.549	2	5	3	O=C(N[C@H]1CCOC1)c1ccc(-c2nc(=O)o[nH]2)cc1
214188433	ZINC000337631762	ref	8.89	-11.06	0	285.412	3.42	1	2	4	CS[C@@H](C)CNC(=O)c1ccc2c3c(cccc13)CC2
214188435	ZINC000337631052	ref	4.82	-6.16	0	295.408	2.257	2	4	3	CCc1nc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C)sc1C
365619960	ZINC000641589128	ref	5.54	-34.74	1	274.364	1.273	2	2	4	CC[N@H+](C)[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccccc1
365619965	ZINC000641589128	mid	5.56	-34.49	1	274.364	1.273	2	2	4	CC[N@@H+](C)[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccccc1
365619967	ZINC000641589128	mid	3.35	-9.93	0	274.364	1.273	1	3	4	CCN(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccccc1
365619970	ZINC000641589033	ref	3.78	-16.04	0	271.238	1.97	1	2	2	O=C(c1ccc(C(F)F)cc1F)N1C[C@H]2C[C@@]2(O)C1
346818859	ZINC000601318678	ref	6.88	-8.81	0	285.365	2.414	0	5	5	CSc1cc(C(=O)N(C)[C@H](C)C(=O)OC(C)C)co1
343994196	ZINC000139404323	ref	6.25	-7.71	0	189.258	2.815	1	1	3	CC1(CC(=O)Nc2ccccc2)CC1
342080996	ZINC000625326632	ref	3.1	-10.31	0	294.38	1.934	0	7	5	Cc1noc(C)c1CO[C@H]1CCN(Cc2cnns2)C1
365619976	ZINC000641589012	ref	5.56	-14.46	0	275.348	1.493	1	3	4	Cc1ccccc1CO[C@H](C)C(=O)N1C[C@H]2C[C@@]2(O)C1
282123327	ZINC000117029153	ref	7.44	-47.99	1	331.42	0.849	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCO1
282123337	ZINC000117029153	low	7.88	-76.95	2	331.42	0.849	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cn3ccccc3[nH+]2)CCO1
342080997	ZINC000625326632	low	6.04	-53.59	1	294.38	1.934	1	6	5	Cc1noc(C)c1CO[C@H]1CC[N@H+](Cc2cnns2)C1
282123342	ZINC000117029153	high	4.89	-18.42	0	331.42	0.849	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCCc2cn3ccccc3n2)CCO1
365619981	ZINC000641588977	ref	3.68	-14.04	0	281.739	1.484	1	3	3	COc1cccc(CC(=O)N2C[C@@H]3C[C@]3(O)C2)c1Cl
282123348	ZINC000358935210	ref	6.44	-48.7	1	268.321	-0.969	2	4	2	Cn1[nH]cnc1=NC(=O)N1CCO[C@H](C[NH+](C)C)C1
282123355	ZINC000358935210	high	3.87	-23.25	0	268.321	-0.969	1	5	2	CN(C)C[C@@H]1CN(C(=O)N=c2nc[nH]n2C)CCO1
346818866	ZINC000601316833	ref	4.8	-8.66	0	272.396	2.236	0	4	5	CCc1cccnc1[C@@H](C)N1CCN(CCC#N)CC1
342080998	ZINC000625326632	low	6.07	-52.72	1	294.38	1.934	1	6	5	Cc1noc(C)c1CO[C@H]1CC[N@@H+](Cc2cnns2)C1
192038034	ZINC000418432257	ref	4.22	-36.2	1	241.379	1.8	2	1	5	CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[C@@H]1C(C)C
282123362	ZINC000332183594	ref	4.97	-39.83	1	270.373	0.327	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)CCO1
365619986	ZINC000641590606	ref	4.18	-12.53	0	287.359	1.787	1	3	2	O=C(c1ccc(C2CCOCC2)cc1)N1C[C@@H]2C[C@]2(O)C1
365619992	ZINC000641588915	ref	3.41	-12.9	0	259.305	1.217	1	3	1	C[C@@H]1Cc2cc(C(=O)N3C[C@H]4C[C@@]4(O)C3)ccc2O1
342080999	ZINC000625326669	ref	-1.08	-8.64	0	297.399	1.684	3	6	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
342081000	ZINC000625326669	low	0.16	-45.26	1	297.399	1.684	3	5	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1nc(C(C)(C)C)no1
210256794	ZINC000000641689	ref	9.39	-12.75	0	370.821	4.019	0	7	2	Clc1cccc(-c2nn3c([C@@H]4COc5ccccc5O4)nnc3s2)c1
187169747	ZINC000125100091	high	3.95	-5.22	0	278.425	2.357	1	5	7	CCn1nccc1CNC[C@@H](c1cccs1)N(C)C
342088433	ZINC000621363645	ref	5.24	-37.82	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1CO
214188417	ZINC000278489549	ref	6.14	-11.2	0	308.426	1.629	1	5	6	Cc1cc(N2CCC[C@H](NC(=O)CCOC(C)C)C2)n(C)n1
342088434	ZINC000621363645	mid	5.45	-37.54	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@@H+](C[C@H]2COc3ccccc3O2)C[C@@H]1CO
214188420	ZINC000278490282	ref	8.11	-10.58	0	318.417	2.281	1	3	7	COC(C)(C)CC(=O)N[C@@H](CN1CCCC1=O)c1ccccc1
214188422	ZINC000278489833	ref	6.75	-16.66	0	302.374	1.603	0	3	3	C[C@H]1COCCN1C(=O)Cc1cccc(N2CCCC2=O)c1
282123328	ZINC000449155044	ref	7.61	-21.5	0	275.377	2.414	0	4	4	CSc1cccc(C(=O)N(C)Cc2nccn2C)c1
210256801	ZINC000000641287	ref	9.67	-12.71	0	351.475	3.735	3	2	3	CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2ccccc2)NC(=S)N1
210256805	ZINC000000644449	ref	9.1	-8.47	0	352.423	3.247	1	8	4	CSc1nc(Oc2cc(C)cc(C)c2)cc(-n2ncc(C#N)c2N)n1
210256809	ZINC000000641731	ref	10.11	-15.67	0	372.158	3.33	0	4	2	CCC(=O)Oc1ccc2c(C)c(C)c(=O)oc2c1I
210256813	ZINC000000641474	ref	11.47	-8.41	0	366.844	5.5	0	3	5	Clc1ccc(OC[C@H]2CO[C@H](c3ccc(-c4ccccc4)cc3)O2)cc1
342088435	ZINC000621363645	high	2.88	-8.1	0	277.364	1.777	1	4	3	C[C@@H]1CCN(C[C@H]2COc3ccccc3O2)C[C@@H]1CO
210256820	ZINC000000642757	ref	5.99	-9.05	0	356.017	3.859	1	2	2	O=C(Nc1cccnc1)c1ccc(Br)cc1Br
210256824	ZINC000000641430	ref	7.58	-21.04	0	355.394	3.49	2	4	5	CCOC(=O)c1ccc(NC(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1
210256830	ZINC000000644889	ref	2.38	-17.01	0	355.354	0.719	3	8	4	O=C(Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1)c1ccccc1
178305507	ZINC000130778382	low	5.5	-48.99	1	245.282	1.762	1	3	2	Cc1cc2[nH+]cn(C[C@H]3CNC(=O)O3)c2cc1C
210256836	ZINC000000641475	ref	11.45	-8.14	0	366.844	5.5	0	3	5	Clc1ccc(OC[C@H]2CO[C@@H](c3ccc(-c4ccccc4)cc3)O2)cc1
342088436	ZINC000121509355	ref	7.08	-15.5	0	291.395	1.836	1	4	3	CC1(C)C[C@H](NC(=O)Cn2cnc3c2CCCC3)CCO1
214188429	ZINC000278489140	ref	-0.27	-44.66	-1	306.347	2.003	0	6	5	CCCc1nnc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)o1
343994199	ZINC000139350332	ref	4.74	-4.52	0	112.172	1.621	0	1	1	CC(=O)[C@@]1(C)C[C@H]1C
185089453	ZINC000096078462	ref	4.44	-43.34	1	264.329	0.284	2	5	3	c1cnc(NC[C@H]2CO[C@@]3(C[NH2+]CCOC3)C2)nc1
214188431	ZINC000278489140	low	0.64	-11.91	0	306.347	2.003	1	6	5	CCCc1nnc(NS(=O)(=O)c2ccc(C#N)c(C)c2)o1
214188434	ZINC000278489177	ref	5.91	-13.07	0	318.373	3.26	1	4	4	O=C(NCc1nc(-c2ccccc2F)cs1)C1=COCCC1
214190476	ZINC000053602381	high	5.01	-10.51	0	329.469	3.387	1	4	4	C[C@@H]1C[C@@H](C)CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C1
185089456	ZINC000096076210	ref	8.49	-41.98	1	294.439	2.138	1	2	2	C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)C1
214190480	ZINC000053596166	ref	7.1	-11.53	0	342.411	2.574	1	3	5	C[C@H](NC(=O)CSc1ccc(F)cc1F)C(=O)N1CCCCC1
342081001	ZINC000625318217	ref	4.56	-46.14	1	265.386	1.863	1	5	6	CC[C@@H]([NH2+]CCc1cn(C)nn1)c1nc(C)cs1
398245889	ZINC000651443709	ref	4.83	-5.4	0	252.358	3.43	0	4	3	CCC(C)(C)c1nc([C@H]2CCOC(C)(C)C2)no1
282123330	ZINC000263931541	ref	7.93	-17.66	0	347.422	2.368	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1c3c(nc4ccccc14)CCC3)CC2
214190488	ZINC000053605714	ref	4.79	-44.77	1	337.386	1.24	2	3	8	C[C@H](C(=O)NC1CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1
185089457	ZINC000096076210	mid	8.69	-37.48	1	294.439	2.138	1	2	2	C[N@H+]1CCOC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)C1
214190490	ZINC000053605714	mid	2.51	-10.9	0	337.386	1.24	1	4	8	C[C@H](C(=O)NC1CC1)N1CCN(CCCOCC(F)(F)F)CC1
214190495	ZINC000053589304	ref	5.11	-48.9	1	325.455	2.881	1	4	7	C[C@@H]([NH2+]CCOc1cccc(S(C)(=O)=O)c1)c1cccs1
214190498	ZINC000053589304	high	3.91	-14.02	0	325.455	2.881	1	5	7	C[C@@H](NCCOc1cccc(S(C)(=O)=O)c1)c1cccs1
214190501	ZINC000053609609	ref	4.25	-11.73	0	325.416	2.717	0	6	5	C[C@@H](CC#N)N1CCN([C@@H](C)c2nc(-c3ccccc3)no2)CC1
214190506	ZINC000053609609	low	6.67	-45.88	1	325.416	2.717	1	5	5	C[C@@H](CC#N)N1CC[NH+]([C@@H](C)c2nc(-c3ccccc3)no2)CC1
197595178	ZINC000290100106	ref	7.08	-47.61	1	276.355	1.997	1	1	2	C[C@H](C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1
214190510	ZINC000053586165	ref	6.67	-39.03	1	332.213	3.124	1	2	6	C[C@@H]([NH2+]CCOc1ccc(Br)cc1F)[C@H]1CCCO1
342081002	ZINC000625318217	high	3.22	-13.46	0	265.386	1.863	1	6	6	CC[C@@H](NCCc1cn(C)nn1)c1nc(C)cs1
365619962	ZINC000354674602	ref	6.49	-35.18	1	295.427	1.234	2	2	4	CC(C)[C@@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1
295666443	ZINC000412985261	ref	7.38	-15.66	0	324.178	2.842	0	5	5	CCn1nncc1COc1ccc(Br)cc1C(C)=O
306234471	ZINC000557850959	ref	7.38	-10.46	0	334.42	1.904	2	5	7	CCOC(=O)C1(CNC(=O)N[C@H](c2nccn2C)C2CC2)CCC1
342597148	ZINC000590786720	ref	8.54	-94.78	2	283.46	1.811	3	1	7	CC(C)CNC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597149	ZINC000590786720	mid	8.55	-92.83	2	283.46	1.811	3	1	7	CC(C)CNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597150	ZINC000590786720	mid	6.4	-37.65	1	283.46	1.811	2	2	7	CC(C)CNC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
342597151	ZINC000590786720	mid	6.41	-36.32	1	283.46	1.811	2	2	7	CC(C)CNC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
214188440	ZINC000337628563	ref	5.88	-43.14	1	291.42	2.228	3	2	4	O=C(NCC[NH+]1CCC1)N[C@H]1CCSc2ccccc21
136229370	ZINC000293016199	ref	4.18	-7.13	0	221.304	1.867	0	4	6	CC#CCN(C)Cc1noc(CCCC)n1
136229371	ZINC000293018386	ref	4.29	-8.1	0	236.315	2.681	2	2	6	C=CCC(C)(C)CNC(=O)NCc1ccoc1
136229372	ZINC000293183415	ref	0.5	-13.73	0	248.348	0.397	2	3	8	C=CCCCS(=O)(=O)N[C@@H](C)C(=O)NCC
136229373	ZINC000293337901	ref	6.51	-3.92	0	233.302	3.139	1	1	7	C=CCC(F)(F)C(=O)N[C@@H](C)C[C@@H](C)CC
214188441	ZINC000337628563	mid	2.69	-10.33	0	291.42	2.228	2	3	4	O=C(NCCN1CCC1)N[C@H]1CCSc2ccccc21
136229374	ZINC000293182346	ref	5.59	-4.59	0	228.242	3.251	0	3	4	C=CCC(F)(F)c1nc([C@@H]2CC2(C)C)no1
214188443	ZINC000337632221	ref	3.29	-17.46	0	299.371	0.054	1	4	3	COCC(=O)N1CCC(NC(=O)N2CCOC[C@H]2C)CC1
214188444	ZINC000337630898	ref	6.83	-16.2	0	279.29	3.24	1	3	6	O=C(CCCn1cccn1)Nc1cccc(C(F)F)c1
214188446	ZINC000337631479	ref	1.29	-42.15	-1	272.374	0.948	2	4	7	CSCC(C)(C)C(=O)NCCCc1n[nH]c(=O)[n-]1
214188448	ZINC000337631479	low	2.44	-14.1	0	272.374	0.948	3	4	7	CSCC(C)(C)C(=O)NCCCc1n[nH]c(=O)[nH]1
214188452	ZINC000337628887	ref	3.06	-39.95	1	273.377	0.119	3	3	9	C[C@@H](CNC(=O)N(C)CCOCCO)[N@H+](C)C1CC1
214188453	ZINC000337628887	mid	2.65	-39.81	1	273.377	0.119	3	3	9	C[C@@H](CNC(=O)N(C)CCOCCO)[N@@H+](C)C1CC1
214188455	ZINC000337628887	high	0.66	-8.6	0	273.377	0.119	2	4	9	C[C@@H](CNC(=O)N(C)CCOCCO)N(C)C1CC1
214188457	ZINC000337631956	ref	2.56	-11.53	0	257.334	0.284	1	3	4	CO[C@H](C)CCNC(=O)N1CC(=O)N(C)[C@@H](C)C1
214188459	ZINC000337630559	ref	7.04	-14.86	0	298.733	3.173	1	4	3	O=C(Nc1cnccc1-n1cccn1)c1ccccc1Cl
210256843	ZINC000000641779	ref	11.45	-9.68	0	354.5	4.306	0	5	6	CSc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O
210256850	ZINC000000642837	ref	6.95	-6.02	0	367.452	2.774	0	7	4	CCOC(=O)/N=c1\ss/c(=N\C(=O)OCC)n1Cc1ccccc1
342081003	ZINC000625318120	ref	3.26	-42.98	1	283.343	1.596	2	3	6	CO[C@H](C[N@H+](C)[C@]1(CO)CCOC1)c1ccc(F)cc1
342081004	ZINC000625318120	mid	3.48	-44.46	1	283.343	1.596	2	3	6	CO[C@H](C[N@@H+](C)[C@]1(CO)CCOC1)c1ccc(F)cc1
342081005	ZINC000625318120	mid	2.28	-6.84	0	283.343	1.596	1	4	6	CO[C@H](CN(C)[C@]1(CO)CCOC1)c1ccc(F)cc1
342081006	ZINC000625318717	ref	6.15	-18.41	0	287.323	1.164	1	5	2	Cc1nccn1[C@H]1CCCN(C(=O)c2cc(=O)[nH]cn2)C1
342081007	ZINC000625318717	mid	6.62	-48.72	1	287.323	1.164	1	4	2	Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cc(=O)[nH]cn2)C1
214188449	ZINC000053579007	ref	2.22	-25.11	0	342.442	1.321	2	5	2	C[C@]1(NC(=S)Nc2ccc3c(c2)OCCO3)CCS(=O)(=O)C1
342081008	ZINC000625318717	high	4.99	-42.99	-1	287.323	1.164	0	5	2	Cc1nccn1[C@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1
214188456	ZINC000053564098	ref	4.64	-53.32	1	344.415	1.041	3	3	3	O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(C[NH+]2CCOCC2)CC1
365619966	ZINC000354674602	high	4.6	-5.51	0	295.427	1.234	1	3	4	CC(C)[C@@H]1CCCN1C(=O)C(=O)NCC1(N(C)C)CCC1
214188460	ZINC000053564098	mid	2.57	-15.11	0	344.415	1.041	2	4	3	O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(CN2CCOCC2)CC1
365619971	ZINC000367178540	ref	1.57	-7.2	0	269.37	1.597	1	6	4	CO[C@@H](C)c1nsc(N2CC[C@@](O)(C3CC3)C2)n1
398245890	ZINC000650859259	ref	2.64	-12.5	0	283.343	1.396	3	3	8	CCC[C@H](O)CC(=O)NC[C@H](O)Cc1cccc(F)c1
365619975	ZINC000354674760	ref	2.25	-11.73	0	271.32	1.791	1	4	6	CN(CC(N)=O)Cc1ccccc1Oc1cccnc1
365619978	ZINC000354674760	low	4.58	-41.64	1	271.32	1.791	2	3	6	C[N@H+](CC(N)=O)Cc1ccccc1Oc1cccnc1
398245892	ZINC000650859799	ref	6.15	-41.26	1	265.401	1.96	3	1	3	C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC3(CCC3)C2)C1
342081009	ZINC000625318742	ref	3.16	-14.27	0	271.386	1.904	2	3	5	CC1(C)CCC[C@H]1CCNS(=O)(=O)c1c[nH]cn1
342081010	ZINC000625318742	high	2.8	-52.4	-1	271.386	1.904	1	3	5	CC1(C)CCC[C@H]1CC[N-]S(=O)(=O)c1c[nH]cn1
342597152	ZINC000590786675	ref	8.11	-93.07	2	255.406	1.127	2	1	5	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N(C)C)CC1
342597153	ZINC000590786675	mid	8.11	-95.15	2	255.406	1.127	2	1	5	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C)CC1
178304561	ZINC000237261036	ref	4.53	-72.69	1	354.472	1.8	2	4	7	COC(=O)c1cccc(CS(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1
365619977	ZINC000172796712	mid	6.08	-60.23	1	290.392	1.146	1	5	3	Cc1ncsc1CC[N@@H+]1CCc2nn(C)c(=O)cc2C1
365619982	ZINC000172796712	high	3.5	-11.88	0	290.392	1.146	0	6	3	Cc1ncsc1CCN1CCc2nn(C)c(=O)cc2C1
398245893	ZINC000651440464	ref	4.36	-8.8	0	294.395	3.415	0	5	3	COC1CCC(c2nc([C@H]3CCOC(C)(C)C3)no2)CC1
398245897	ZINC000651434948	ref	8.91	-11.82	0	266.385	3.199	0	3	7	CCC(CC)N(CC(C)C)C(=O)Cc1cc(C)no1
365619985	ZINC000172801504	ref	5.11	-36.12	1	267.398	1.718	2	3	3	CNC(=O)[C@H]1CCC[N@H+](Cc2sc(C)nc2C)C1
349535437	ZINC000621497026	ref	7.2	-8.34	0	260.328	3.006	1	1	3	C[C@H]1CCCCCN1C(=O)NCC[C@@H]1CC1(F)F
349535439	ZINC000621495486	ref	9.59	-39.15	1	292.467	3.073	2	1	5	CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1
365619993	ZINC000172801504	mid	4.59	-39.73	1	267.398	1.718	2	3	3	CNC(=O)[C@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1
282123335	ZINC000449155044	low	8.15	-34.81	1	275.377	2.414	0	3	4	CSc1cccc(C(=O)N(C)Cc2[nH+]ccn2C)c1
398245900	ZINC000651434333	ref	7.23	-9.85	0	293.794	3.225	0	2	2	C[C@H](C(=O)N1CCC12CCOCC2)c1ccc(Cl)cc1
282123343	ZINC000449155414	ref	7.63	-86.2	2	297.487	2.105	3	1	7	C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1
398245901	ZINC000651432562	ref	7.09	-6.67	0	254.28	3.315	0	3	3	FC1(F)CC(Cc2noc([C@@H]3CC34CCC4)n2)C1
398245904	ZINC000651431338	ref	5.83	-8.9	0	288.366	3.219	1	3	3	C[C@H](CO)C1CCN(c2ccc3ccc(F)cc3n2)CC1
190494159	ZINC000269441459	ref	6.46	-7.75	0	277.299	2.253	1	5	7	COCCOc1ccccc1CNc1ncc(F)cn1
349535440	ZINC000621495486	mid	9.56	-36.69	1	292.467	3.073	2	1	5	CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)C1
178304563	ZINC000237249827	ref	3.67	-55.21	1	357.451	1.095	2	3	7	CN(CCCC(=O)N[C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1
365619996	ZINC000172801504	high	2.36	-9.22	0	267.398	1.718	1	4	3	CNC(=O)[C@H]1CCCN(Cc2sc(C)nc2C)C1
365620001	ZINC000567750520	ref	4.71	-37.72	1	292.383	1.461	2	4	5	Cc1nc([C@](C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)C2CC2)no1
178305510	ZINC000181871791	ref	8.54	-13.56	0	240.31	2.435	0	4	2	Cc1cc2ncn(Cc3ccnn3C)c2cc1C
282123347	ZINC000449155414	mid	7.65	-85.79	2	297.487	2.105	3	1	7	C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1
365639361	ZINC000354712741	high	3.92	-6.51	0	262.357	1.469	1	4	4	C[C@H]1CCCCN1[C@@H](C)CNC(=O)c1cncnc1
210256855	ZINC000000646403	ref	6.87	-14.13	0	359.378	2.898	1	6	8	CCOc1ccc(NC(=O)COC(=O)c2cc(OC)cc(OC)c2)cc1
210256862	ZINC000000643107	ref	5.34	-9.89	0	360.248	3.534	1	4	5	COc1cc(Br)c(CCNC(=O)OC(C)(C)C)cc1OC
365619983	ZINC000354674760	low	4.52	-41.59	1	271.32	1.791	2	3	6	C[N@@H+](CC(N)=O)Cc1ccccc1Oc1cccnc1
210256866	ZINC000000640979	ref	4.29	-12.76	0	350.371	1.903	2	6	6	CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(OC)c(OC)c(OC)c1
210256776	ZINC000265963370	low	1.49	-47.21	1	352.42	0.035	2	5	4	Cc1[nH]c(C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)c[nH+]1
342597154	ZINC000590786675	mid	5.95	-36.98	1	255.406	1.127	1	2	5	CC(C)[N@H+](C)CC1CCN(CC(=O)N(C)C)CC1
342597155	ZINC000590786675	mid	5.95	-38.39	1	255.406	1.127	1	2	5	CC(C)[N@@H+](C)CC1CCN(CC(=O)N(C)C)CC1
342597156	ZINC000590786642	ref	10.52	-104.83	2	291.439	1.9	2	2	6	CC(C)[N@H+](C)CC1CC[NH+](CCn2ccccc2=O)CC1
365619988	ZINC000354673678	ref	4.83	-17.43	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1
365619990	ZINC000354675232	ref	3.75	-10.53	0	287.31	1.674	1	4	4	Cc1nn(CC(F)F)c(C)c1C(=O)NC1CCOCC1
210256783	ZINC000265969654	ref	5.09	-19.07	0	365.386	0.535	1	7	5	CCO[C@@H]1C[C@@H](O)C12CCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)CC2
342597157	ZINC000590786642	mid	10.5	-106.0	2	291.439	1.9	2	2	6	CC(C)[N@@H+](C)CC1CC[NH+](CCn2ccccc2=O)CC1
342597158	ZINC000590786642	high	8.15	-44.3	1	291.439	1.9	1	3	6	CC(C)[N@H+](C)CC1CCN(CCn2ccccc2=O)CC1
342597159	ZINC000590786642	high	8.14	-45.23	1	291.439	1.9	1	3	6	CC(C)[N@@H+](C)CC1CCN(CCn2ccccc2=O)CC1
136229375	ZINC000185000209	ref	7.4	-5.01	0	247.338	2.763	1	3	6	C=CC[C@H](C)N[C@H](C(=O)OC)c1ccccc1C
136229376	ZINC000185000209	low	8.28	-32.79	1	247.338	2.763	1	2	6	C=CC[C@H](C)[NH2+][C@H](C(=O)OC)c1ccccc1C
168366207	ZINC000043334516	ref	1.32	-40.37	1	168.24	1.23	1	2	3	C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)C
365619997	ZINC000354673408	ref	3.02	-6.84	0	294.326	1.308	2	3	2	CCc1cc(NC(=O)C(=O)N2C[C@H](O)C[C@H]2C)ccc1F
342597160	ZINC000590785321	ref	1.64	-8.54	0	259.309	1.684	1	5	2	Cc1nc(CN2CCc3ccc(O)cc3CC2)no1
192038036	ZINC000418431263	ref	4.8	-47.35	1	241.379	1.942	2	1	5	CC(C)[C@@H](C)N(C(=O)NCC(C)(C)[NH3+])C1CC1
342597161	ZINC000590785321	low	3.88	-39.11	1	259.309	1.684	2	4	2	Cc1nc(C[N@@H+]2CCc3ccc(O)cc3CC2)no1
342597162	ZINC000590785321	low	3.63	-39.98	1	259.309	1.684	2	4	2	Cc1nc(C[N@H+]2CCc3ccc(O)cc3CC2)no1
214188458	ZINC000293633179	ref	5.71	-28.33	0	362.43	0.395	2	5	3	Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCCNC(=O)[C@H]1CC(C)C
214188463	ZINC000293635256	ref	2.15	-21.22	0	365.253	0.959	2	4	7	CCCNS(=O)(=O)N(C)CC(=O)Nc1ccc(Br)cn1
214188466	ZINC000293616776	ref	-2.48	-13.29	0	351.222	0.597	3	4	5	CC[C@H](O)CNC(=O)c1ccc(S(N)(=O)=O)c(Br)c1
214188467	ZINC000293630904	ref	3.65	-14.85	0	365.34	0.726	1	6	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1c(F)cccc1F)C2
214188471	ZINC000293627606	ref	7.13	-28.15	0	357.37	0.134	1	7	8	Cn1cnnc1COCC(=O)NCCCN1C(=O)c2ccccc2C1=O
178304565	ZINC000237253118	ref	3.75	-47.42	1	360.863	1.795	2	4	6	COC(=O)c1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c(Cl)c1
136229377	ZINC000293326385	ref	9.1	-36.68	1	216.328	2.167	1	1	5	C=CC[N@H+](C)CCN1CCc2ccccc21
214188475	ZINC000293631239	ref	5.06	-29.17	0	352.412	0.26	0	5	3	CN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[C@H]1CCN(S(C)(=O)=O)C1
178304568	ZINC000237253118	high	3.89	-59.09	0	360.863	1.795	1	4	6	COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@@H]2CCC[NH2+]C2)c(Cl)c1
178304571	ZINC000237254997	ref	4.55	-54.79	1	354.472	1.968	2	4	6	COC(=O)c1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c(C)c1
178304573	ZINC000237258908	ref	7.5	-63.85	-1	363.801	1.899	0	6	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2cnn(Cc3ccccc3Cl)c2)C1
185089459	ZINC000096076210	high	6.8	-7.78	0	294.439	2.138	0	3	2	CN1CCOC[C@@]2(CCCN(C(=O)CC3CCCC3)C2)C1
178304576	ZINC000237260670	ref	5.5	-60.13	1	353.85	1.664	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@@H](C)C[NH3+]
178304577	ZINC000237258188	ref	5.18	-48.53	1	374.514	1.798	2	6	8	C[NH2+]CCCC(=O)Nc1nc(CN2CCN(c3ccccn3)CC2)cs1
185089462	ZINC000096077102	ref	7.55	-12.5	0	291.42	2.681	0	4	3	C=CCN1C(=O)CCC[C@]12CCCN(c1nccs1)C2
214188479	ZINC000293622077	ref	0.61	-22.14	0	361.42	0.387	1	5	4	N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](CS(N)(=O)=O)C2)cc1F
136229378	ZINC000293326385	mid	9.05	-36.59	1	216.328	2.167	1	1	5	C=CC[N@@H+](C)CCN1CCc2ccccc21
214188482	ZINC000293634864	ref	2.6	-15.53	0	365.386	0.606	2	6	5	CNC(=O)Oc1cccc(NC(=O)C(=O)N2C[C@@H](OC)C[C@H]2COC)c1
214188486	ZINC000293621768	ref	5.46	-14.6	0	367.45	0.915	1	7	7	CCn1nc(C)c(C(=O)N(CCNC(C)=O)[C@H](C)C(=O)OC(C)(C)C)n1
214188490	ZINC000293634846	ref	7.28	-20.46	0	359.43	0.766	1	7	6	COc1cccc(N2CCC[C@@H](NC(=O)CCn3ncn(C)c3=O)C2)c1
342081011	ZINC000625318568	ref	5.97	-33.57	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cn1
214188461	ZINC000337630559	mid	7.47	-37.92	1	298.733	3.173	1	3	3	O=C(Nc1c[nH+]ccc1-n1cccn1)c1ccccc1Cl
214188462	ZINC000337631692	ref	5.49	-11.04	0	269.316	2.266	1	3	7	CC[C@@H](C)OCC(=O)NCc1ccc(OC)cc1F
210256791	ZINC000265969020	ref	-1.19	-35.75	0	360.374	0.389	4	6	8	COCCNC(=O)Cn1cc(NC(=O)c2cccc(NC(N)=O)c2)cn1
342081012	ZINC000625318568	mid	4.76	-38.02	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)cn1
342081013	ZINC000625318568	high	3.03	-8.38	0	289.383	1.217	1	5	3	CNc1cnc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cn1
210256798	ZINC000265967056	ref	3.87	-13.69	0	354.403	0.922	1	6	7	COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@H](COC)C2)c1C
342081014	ZINC000625318003	ref	6.93	-38.41	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)n1
210256807	ZINC000265968401	ref	5.22	-16.8	0	363.374	0.15	1	5	4	CN(C)C(=O)CNC(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1
342081015	ZINC000625318003	mid	7.69	-38.23	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)n1
214188465	ZINC000337631286	ref	7.92	-11.04	0	275.348	3.075	1	3	3	COC(=O)c1cc(NC(=O)[C@@H]2CC2(C)C)cc(C)c1C
342081016	ZINC000625318003	high	4.48	-13.59	0	296.802	1.772	0	4	2	CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1nn(C)cc1Cl
342081017	ZINC000625326809	ref	6.44	-39.63	1	270.417	1.897	2	2	5	COC[C@H]1CCCC[N@H+](CC(=O)NCC(C)(C)C)C1
210256815	ZINC000265965991	ref	0.78	-13.97	0	356.448	0.385	2	6	7	CCO[C@H]1C[C@@H](NC(=O)CCn2cc(S(N)(=O)=O)cn2)C12CCC2
210256825	ZINC000265967820	ref	4.84	-18.45	0	374.42	0.731	1	6	5	Cc1c(C(=O)NCCC(=O)N2CCN(c3ccc(F)cc3)CC2)nnn1C
282123336	ZINC000248979211	ref	3.44	-14.07	0	313.419	1.688	1	4	7	C[C@H](COCc1ccccc1)NS(=O)(=O)[C@@H]1CCO[C@@H]1C
210256835	ZINC000265965642	ref	3.48	-18.62	0	369.418	0.524	0	4	3	CN1CCN(C(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)CC1=O
342081018	ZINC000625326809	mid	6.36	-40.18	1	270.417	1.897	2	2	5	COC[C@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)C)C1
342081019	ZINC000625326809	high	4.54	-7.97	0	270.417	1.897	1	3	5	COC[C@H]1CCCCN(CC(=O)NCC(C)(C)C)C1
342081020	ZINC000625318978	ref	3.76	-12.78	0	275.327	1.839	1	4	3	Cc1cn2c(n1)CN(Cc1cc(CO)ccc1F)CC2
168366211	ZINC000043334516	high	0.95	-3.86	0	168.24	1.23	1	3	3	C[C@@H](N)[C@@H](c1ccco1)N(C)C
343994202	ZINC000139397142	ref	3.5	-6.82	0	184.283	1.341	1	2	3	CCC(CC)N1C(=O)[C@H](C)N[C@@H]1C
365619994	ZINC000625021415	ref	4.74	-12.84	0	316.405	2.133	1	4	3	COc1cc2c(nn1)CCN(C(=O)NC[C@@H]1CCCC13CC3)C2
214188468	ZINC000053583072	ref	8.69	-7.93	0	327.281	3.96	1	4	2	Fc1ccc2c(c1)[C@H](Nc1nccc(C(F)(F)F)n1)CCCO2
343994207	ZINC000139397142	low	4.85	-46.6	1	184.283	1.341	1	1	3	CCC(CC)N1C(=O)[C@H](C)[NH2+][C@@H]1C
282123339	ZINC000248977079	ref	2.68	-36.63	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c1
365619999	ZINC000625020406	ref	6.79	-8.59	0	303.468	2.499	0	3	7	CCO[C@@H](CS(=O)(=O)N1CCC(C(C)C)CC1)C1CC1
197595188	ZINC000290099085	ref	7.56	-12.24	0	250.317	2.13	0	2	3	CCN(C)C(=O)[C@@H]1CCN(c2ccccc2F)C1
365620004	ZINC000625022682	ref	7.85	-21.87	0	314.385	2.275	1	3	4	CCc1oc2ccccc2c1CC(=O)N1CCC[C@@H]1C(=O)NC
342081021	ZINC000625318978	low	4.17	-27.11	1	275.327	1.839	1	3	3	Cc1cn2c([nH+]1)CN(Cc1cc(CO)ccc1F)CC2
168364946	ZINC000368498453	mid	12.09	-42.14	1	349.478	3.234	1	2	5	C[N@@H+](CCc1ccccn1)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O
168364948	ZINC000368498453	mid	9.83	-12.4	0	349.478	3.234	0	3	5	CN(CCc1ccccn1)[C@H]1CCN([C@@H]2CCCc3ccccc32)C1=O
365620012	ZINC000625020883	ref	7.04	-11.38	0	304.398	2.083	1	6	8	CCOCCCn1c(-c2cn[nH]c2)nnc1N(C)C1CCC1
168364950	ZINC000368500519	ref	9.07	-17.13	0	329.444	3.085	1	3	4	C[C@H]1CCC[C@H]1CC(=O)N1CCC(C(=O)Nc2ccccn2)CC1
168364952	ZINC000368498719	ref	5.81	-10.55	0	338.835	3.061	1	3	3	COc1cccc(Cl)c1CNC(=O)N1CC[C@@]2(CCCOC2)C1
197595195	ZINC000290100259	ref	7.09	-42.43	1	274.408	2.869	2	1	4	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)c1cccc(C)c1C
342081022	ZINC000625327129	ref	3.36	-8.49	0	260.403	1.907	1	2	6	C=CC(C)(C)CCNS(=O)(=O)N1CCC[C@H]1C
342081023	ZINC000625318976	ref	8.52	-55.61	1	296.378	1.894	1	5	6	C[C@H]([NH2+]CCc1cn(C)nn1)c1cccc(-n2ccnc2)c1
342081024	ZINC000625318976	low	9.03	-95.09	2	296.378	1.894	1	4	6	C[C@H]([NH2+]CCc1cn(C)nn1)c1cccc(-n2cc[nH+]c2)c1
342081025	ZINC000625318584	ref	1.91	-15.52	0	274.39	1.154	1	5	6	CCn1nncc1CNS(=O)(=O)CCC(C)(C)C
342081026	ZINC000625318947	ref	4.99	-42.43	1	278.356	1.49	1	5	8	CCc1ccc([C@@H](COC)[NH2+]CCc2cn(C)nn2)o1
342081027	ZINC000625318947	mid	3.79	-12.59	0	278.356	1.49	1	6	8	CCc1ccc([C@@H](COC)NCCc2cn(C)nn2)o1
178304578	ZINC000037491143	ref	5.71	-10.13	0	244.338	3.129	1	3	1	Cc1cc2ncn([C@@H]3CCCC[C@@H]3O)c2cc1C
178304584	ZINC000037491143	low	6.2	-25.86	1	244.338	3.129	1	2	1	Cc1cc2[nH+]cn([C@@H]3CCCC[C@@H]3O)c2cc1C
187334647	ZINC000127811534	ref	5.98	-8.73	0	293.432	3.132	1	3	1	Cc1cc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)sc1C
214188469	ZINC000337629728	ref	1.34	-19.04	0	250.245	0.528	2	3	5	NC(=O)CC(=O)N[C@@H]1CCCC[C@@H]1OC(F)F
178304591	ZINC000000612262	ref	8.23	-12.76	0	243.31	2.717	0	3	0	Cc1cc2ncn(C(=O)N3CCCC3)c2cc1C
178304599	ZINC000020077394	ref	10.73	-13.88	0	247.301	3.514	0	3	1	Cc1cc2ncn(-c3ccccc3C#N)c2cc1C
178304604	ZINC000020077394	low	11.21	-35.07	1	247.301	3.514	0	2	1	Cc1cc2[nH+]cn(-c3ccccc3C#N)c2cc1C
349535441	ZINC000621495484	ref	9.87	-39.01	1	292.467	3.073	2	1	5	CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1
282123340	ZINC000152715695	ref	7.02	-16.89	0	342.296	2.489	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C(F)(F)F)ccc1F)CC2
178304609	ZINC000000339550	ref	5.17	-9.14	0	242.257	2.45	1	4	1	Cc1cc2nn(-c3ccc(F)cc3)nc2cc1N
178304615	ZINC000103280274	ref	8.45	-8.1	0	202.301	3.408	0	2	0	Cc1cc2ncn(C(C)(C)C)c2cc1C
178304621	ZINC000103280274	low	8.92	-27.8	1	202.301	3.408	0	1	0	Cc1cc2[nH+]cn(C(C)(C)C)c2cc1C
178304627	ZINC000073402690	ref	8.15	-11.17	0	240.262	2.596	0	4	1	Cc1cc2nn(-c3ccccc3)c(C)c2c(=O)o1
178304636	ZINC000092998912	ref	9.52	-15.47	0	230.311	2.878	0	3	3	Cc1cc2ncn(CC(=O)C(C)C)c2cc1C
178304644	ZINC000092998912	low	9.99	-36.69	1	230.311	2.878	0	2	3	Cc1cc2[nH+]cn(CC(=O)C(C)C)c2cc1C
178304650	ZINC000072461696	ref	2.11	-7.97	0	247.287	0.721	2	8	1	Cc1cc2nnc(-c3nc(N)cs3)c(N)n2n1
178304656	ZINC000043064660	ref	6.58	-10.67	0	225.255	1.803	0	5	1	Cc1cc2nnc(-c3cccnc3)n2c(C)n1
168364947	ZINC000011570828	ref	2.17	-37.41	1	136.198	0.971	1	1	2	C[C@@H]([NH3+])Cc1ccccn1
214188473	ZINC000337630750	ref	7.01	-7.38	0	263.263	3.193	2	2	4	CCC(C)(C)CC(=O)Nc1nc(C(F)(F)F)c[nH]1
214188476	ZINC000337630750	mid	6.93	-6.37	0	263.263	3.193	2	2	4	CCC(C)(C)CC(=O)Nc1ncc(C(F)(F)F)[nH]1
214188477	ZINC000337631062	ref	6.95	-11.42	0	286.297	3.409	1	2	5	C[C@H](CCC1CC1)NC(=O)c1ccncc1C(F)(F)F
214188480	ZINC000337630682	ref	2.04	-23.5	0	264.285	0.039	2	5	6	CN(CCOCCO)C(=O)c1ccnc2[nH]cnc12
214188483	ZINC000337631811	ref	2.49	-14.52	0	259.346	0.66	1	4	8	CN(CCOCCO)C(=O)CCC1CCOCC1
349535442	ZINC000621495484	mid	9.85	-36.58	1	292.467	3.073	2	1	5	CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)C1
349535443	ZINC000621496199	ref	7.91	-9.74	0	288.382	3.499	1	1	3	CC(C)(C)[C@@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
210256846	ZINC000265968751	ref	4.13	-52.03	1	351.403	0.817	4	5	6	COC(=O)COc1cccc(NC(=O)NCC2(O)CC[NH+](C)CC2)c1
210256854	ZINC000265968751	high	1.76	-19.85	0	351.403	0.817	3	6	6	COC(=O)COc1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1
342081028	ZINC000625318795	ref	4.38	-42.21	1	256.39	1.553	2	2	5	C[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H]1CCCOC1
210256857	ZINC000265969704	ref	1.58	-17.63	0	350.4	0.655	1	6	4	Cc1ccc2c(c1)OCCN2C(=O)CCn1cc(S(N)(=O)=O)cn1
214188474	ZINC000053561424	ref	7.06	-13.7	0	342.468	2.696	2	5	5	Cc1cc(N)nc(SCC(=O)NC[C@@H]2CCCc3ccccc32)n1
214188478	ZINC000053561424	low	7.49	-33.24	1	342.468	2.696	2	4	5	Cc1cc(N)nc(SCC(=O)NC[C@@H]2CCCc3ccccc32)[nH+]1
210256868	ZINC000265968179	ref	1.89	-22.13	0	372.447	0.943	3	8	8	COC(=O)CCCc1nnc(NC(=O)NC[C@H](O)C2CCOCC2)s1
214188481	ZINC000053575571	ref	6.76	-16.91	0	341.436	2.831	1	4	4	CN(CCc1ccccn1)C(=O)c1ccc2c(c1)NC(=O)CCS2
124847194	ZINC000174011022	ref	9.37	-16.26	0	339.443	2.524	1	5	6	Cc1nn(C)c(C)c1C[C@H](C)NC(=O)CCn1cnc2ccccc21
185089466	ZINC000096078461	ref	3.86	-40.26	1	264.329	0.284	2	5	3	c1cnc(NC[C@@H]2CO[C@]3(C[NH2+]CCOC3)C2)nc1
214188484	ZINC000053568258	ref	3.47	-61.05	1	334.235	1.605	1	3	5	O=S1(=O)CC[C@@H]([NH2+]CCOc2ccccc2Br)C1
185089467	ZINC000096077110	ref	4.34	-32.96	1	293.436	1.453	2	3	2	Cc1ccc(C[NH+]2CCC3(CC2)C(=O)NCCN3C)s1
168366214	ZINC000022563780	ref	0.24	-43.18	1	153.185	-0.41	1	3	2	C[C@@H]([NH3+])Cn1cccnc1=O
342081029	ZINC000625318071	ref	-1.3	-8.15	0	289.335	1.317	2	6	7	COc1cncc(CN[C@H](CO)c2ccccc2OC)n1
342081030	ZINC000625318071	low	-0.08	-41.26	1	289.335	1.317	2	5	7	COc1cncc(C[NH2+][C@H](CO)c2ccccc2OC)n1
342081031	ZINC000625318598	ref	6.14	-12.65	0	271.324	1.459	0	5	2	Cc1nccn1[C@@H]1CCCN(C(=O)c2cccnn2)C1
342081032	ZINC000625318598	mid	6.61	-33.82	1	271.324	1.459	0	4	2	Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccnn2)C1
342081033	ZINC000625319071	ref	2.26	-6.35	0	269.341	1.752	1	5	8	COC[C@H](NCCOC1CCOCC1)c1ccco1
342081034	ZINC000625319071	mid	3.55	-36.26	1	269.341	1.752	1	4	8	COC[C@H]([NH2+]CCOC1CCOCC1)c1ccco1
168364949	ZINC000019909436	ref	5.49	-4.64	0	237.343	3.552	1	3	7	CCC(CC)CNc1cc(OC)cc(OC)c1
178304580	ZINC000237248588	ref	5.45	-47.64	1	365.499	1.298	1	3	5	C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1
214188485	ZINC000337629211	ref	2.06	-10.4	0	263.301	0.173	2	7	4	Cn1ncc2c(NC[C@@H](O)[C@H]3CCOC3)ncnc21
214188487	ZINC000337629211	low	2.45	-41.29	1	263.301	0.173	2	6	4	Cn1ncc2c(NC[C@@H](O)[C@H]3CCOC3)[nH+]cnc21
214188489	ZINC000337631427	ref	1.96	-16.18	0	267.329	-0.018	2	4	6	CN(CCOCCO)C(=O)[C@H]1CCc2n[nH]cc2C1
178304585	ZINC000237251002	ref	3.13	-64.44	1	356.488	1.094	1	4	9	COc1ccc(C[C@H](C)CN(C)C(=O)[C@H]([NH3+])CCS(C)(=O)=O)cc1
178304587	ZINC000237251002	mid	2.79	-21.49	0	356.488	1.094	1	5	9	COc1ccc(C[C@H](C)CN(C)C(=O)[C@H](N)CCS(C)(=O)=O)cc1
178304590	ZINC000237247556	ref	8.87	-35.4	1	373.497	1.905	1	3	7	C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCN(C(=O)CCOc2ccccc2)C1
178304593	ZINC000237244545	ref	7.36	-44.93	1	357.458	1.777	2	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1
178304597	ZINC000237254877	ref	6.04	-48.11	1	350.85	1.941	2	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C1
178304603	ZINC000237252505	ref	8.79	-98.45	2	353.47	1.952	3	3	7	C[NH2+]Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1
178304607	ZINC000237252505	mid	6.4	-52.3	1	353.47	1.952	2	4	7	C[NH2+]Cc1cccc(NC(=O)CCN2CCN(c3ccccn3)CC2)c1
365619995	ZINC000641589036	ref	3.77	-15.31	0	271.238	1.97	1	2	2	O=C(c1ccc(C(F)F)cc1F)N1C[C@@H]2C[C@]2(O)C1
282123344	ZINC000248977079	mid	2.35	-39.56	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H](C)[C@H]2CO)c1
178304610	ZINC000237250392	ref	3.7	-53.05	1	371.478	1.47	2	3	9	CN(CCCC(=O)N[C@](C)(C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1
178304613	ZINC000237250028	ref	3.97	-50.52	1	371.478	1.47	2	3	9	CN(CCCC(=O)N[C@@](C)(C[NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1
282123350	ZINC000248981242	ref	4.73	-25.47	0	306.362	1.247	1	4	5	COc1ccc([C@H](C)N(C)C(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1
214188495	ZINC000337629007	ref	8.44	-14.75	0	289.339	2.108	1	5	4	Cc1cc(N(C)C)nc(NC(=O)N(C)Cc2ccoc2)n1
214188498	ZINC000337630173	ref	3.06	-17.84	0	294.351	0.75	1	4	7	CC(=O)N(C)c1ccc(C(=O)N(C)CCOCCO)cc1
178304617	ZINC000237261975	ref	4.12	-22.25	0	365.739	1.824	2	4	4	COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O
185089468	ZINC000096077110	high	1.95	-6.29	0	293.436	1.453	1	4	2	Cc1ccc(CN2CCC3(CC2)C(=O)NCCN3C)s1
185089469	ZINC000096078287	ref	5.77	-13.38	0	295.408	1.608	0	5	1	CC(=O)N1CCOCC2(CCN(c3nccs3)CC2)C1
300267976	ZINC000337208350	mid	0.63	-33.36	1	270.295	0.298	3	3	4	C[C@H]1CN(C[C@](C)(O)C(F)(F)F)CC[N@H+]1CCO
342081035	ZINC000625318755	ref	6.31	-46.86	1	290.367	1.575	1	5	6	C[C@@H]([NH2+]CCOC1CCOCC1)c1nnc2ccccn12
219048315	ZINC000097696366	ref	6.76	-18.1	0	326.831	3.758	0	4	3	Cc1cc(C)n(C2CN(Cc3ccc4cccc(Cl)c4n3)C2)n1
219048317	ZINC000097696366	low	9.95	-45.59	1	326.831	3.758	1	3	3	Cc1cc(C)n(C2C[NH+](Cc3ccc4cccc(Cl)c4n3)C2)n1
219048319	ZINC000097694696	ref	7.35	-14.51	0	341.415	1.628	1	6	5	Cc1nn(C)c(C)c1CN(CCO)C(=O)c1cn2c(C)cccc2n1
342081036	ZINC000625318755	mid	5.09	-17.03	0	290.367	1.575	1	6	6	C[C@@H](NCCOC1CCOCC1)c1nnc2ccccn12
219048322	ZINC000097696196	ref	3.26	-17.01	0	328.416	0.966	2	4	4	Cc1ccccc1CC(=O)N1CCN(Cc2ncc[nH]2)C[C@H](O)C1
219048324	ZINC000097696196	low	3.69	-44.63	1	328.416	0.966	2	3	4	Cc1ccccc1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)C[C@H](O)C1
230233666	ZINC000331056514	ref	1.41	-27.34	0	285.344	-1.046	2	4	6	CCN1CCN(CC(=O)NCCC(C)(C)O)C(=O)C1=O
342081037	ZINC000625318189	ref	3.33	-8.92	0	292.445	1.615	1	3	8	COCCN(C)S(=O)(=O)NCC[C@H]1CCCC1(C)C
342081038	ZINC000625318695	ref	4.12	-32.47	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)co1
187169748	ZINC000125098995	ref	5.09	-8.16	0	262.353	2.356	1	3	5	Cc1cncc(CNC(=O)CC[C@@H]2CCCCO2)c1
230233675	ZINC000331123594	ref	1.64	-22.28	0	299.283	-1.671	1	6	4	COC(=O)C[C@@H]1CN(C(=O)CN2CC(=O)NC2=O)CCO1
230233682	ZINC000331123594	high	-0.2	-55.15	-1	299.283	-1.671	0	6	4	COC(=O)C[C@@H]1CN(C(=O)CN2CC(=O)[N-]C2=O)CCO1
230233688	ZINC000331072326	ref	-0.66	-30.03	0	291.373	-1.043	3	4	6	CNC(=O)CC(=O)NC[C@H]1CCC[C@H]1NS(C)(=O)=O
230233695	ZINC000331111034	ref	0.12	-16.66	0	285.3	-1.199	1	5	4	CO[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@@H]1OC
230233702	ZINC000331135754	ref	-1.93	-12.16	0	260.29	-1.641	2	6	5	COC(=O)[C@@](C)(O)CNC(=O)CN1CCOCC1
230233709	ZINC000331098816	ref	-1.62	-19.9	0	261.274	-1.433	3	6	5	COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@](C)(O)CO)O1
230233717	ZINC000331064717	ref	0.63	-16.8	0	271.317	-1.124	2	4	5	CC[C@H](NC(=O)CC(=O)NC)C(=O)N1CCOCC1
230233737	ZINC000331064716	ref	0.69	-16.67	0	271.317	-1.124	2	4	5	CC[C@@H](NC(=O)CC(=O)NC)C(=O)N1CCOCC1
349535444	ZINC000621496777	ref	5.57	-8.4	0	289.766	3.029	2	3	4	CC[C@@H](NC(=O)c1ccc(N)nc1)c1ccc(Cl)cc1
342597163	ZINC000590785355	ref	-0.07	-9.87	0	273.336	1.938	1	5	3	CCc1nnc(CN2CCc3ccc(O)cc3CC2)o1
342597164	ZINC000590785355	mid	2.19	-46.24	1	273.336	1.938	2	4	3	CCc1nnc(C[N@@H+]2CCc3ccc(O)cc3CC2)o1
349535445	ZINC000621496585	ref	8.64	-11.95	0	275.392	3.207	1	2	5	Cc1cccc(COCC(=O)N[C@@H]2CCC[C@H](C)C2)c1
349535446	ZINC000621495835	ref	7.23	-5.51	0	267.413	3.278	1	2	4	COCC1(C(=O)N[C@@H]2CCC[C@H](C)C2)CCCCC1
349535447	ZINC000621497023	ref	7.13	-9.36	0	260.328	3.006	1	1	3	C[C@@H]1CCCCCN1C(=O)NCC[C@@H]1CC1(F)F
349535448	ZINC000621496200	ref	7.91	-9.54	0	288.382	3.499	1	1	3	CC(C)(C)[C@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
185089470	ZINC000096075812	ref	5.6	-13.9	0	286.375	1.937	2	2	3	O=C(Cc1ccccc1)NC1CCC2(CCC(=O)N2)CC1
349535449	ZINC000621495880	ref	7.49	-9.57	0	272.339	3.006	1	1	3	C[C@H]1CC2(CCC2)CN1C(=O)NCC[C@H]1CC1(F)F
349535450	ZINC000621496994	ref	7.64	-9.54	0	274.355	3.109	1	1	4	CC(C)[C@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
361823622	ZINC000614362440	ref	7.04	-8.9	0	311.385	1.819	1	4	7	O=C([C@H](O)C1CC1)N(CCc1ccccn1)Cc1cccnc1
349535451	ZINC000621494810	ref	9.46	-11.41	0	296.361	3.49	1	1	5	Cc1cccc(CN(C)C(=O)NCC[C@H]2CC2(F)F)c1C
361823628	ZINC000614362614	ref	4.64	-17.98	0	314.451	1.517	1	3	5	CC1=C[C@@H](C)CN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1
361823633	ZINC000614362161	ref	5.73	-18.29	0	304.35	1.25	2	5	8	COc1cccc([C@@H](OC)C(=O)NCCCc2nnc[nH]2)c1
342597165	ZINC000590785355	mid	1.94	-46.1	1	273.336	1.938	2	4	3	CCc1nnc(C[N@H+]2CCc3ccc(O)cc3CC2)o1
342597166	ZINC000590787092	ref	4.51	-37.6	1	266.389	1.93	1	4	5	Cc1nc(CN2CCC(C[N@@H+](C)C(C)C)CC2)no1
349535452	ZINC000621496822	ref	7.71	-8.92	0	294.398	3.429	2	2	4	Cc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1N
214188488	ZINC000053568258	mid	2.21	-15.79	0	334.235	1.605	1	4	5	O=S1(=O)CC[C@@H](NCCOc2ccccc2Br)C1
214188492	ZINC000053567783	ref	8.58	-39.45	1	332.669	4.402	1	1	5	C[C@H](C[NH2+]C1CCCC1)Oc1ccc(Cl)cc1Br
214188497	ZINC000053581822	ref	3.61	-13.89	0	327.793	2.024	1	6	6	COc1ccnc(NCCS(=O)(=O)c2ccc(Cl)cc2)n1
214188501	ZINC000053575396	ref	6.34	-18.7	0	330.388	0.803	1	4	6	CN(CCc1ccccn1)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
214188505	ZINC000053574870	ref	7.85	-26.34	0	344.44	1.908	0	5	6	CN(CCc1ccccn1)C(=O)Cc1csc(N2CCCC2=O)n1
342081039	ZINC000625318695	mid	2.86	-37.81	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)co1
342081040	ZINC000625318695	high	1.16	-6.88	0	279.34	1.382	0	5	3	COc1nc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)co1
342081041	ZINC000625318311	ref	1.98	-39.89	1	257.374	1.057	3	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)[C@H]1CCCOC1
342081042	ZINC000625326766	ref	3.3	-40.5	1	265.357	1.734	1	4	5	COC[C@@H]1CCCC[N@H+](Cc2cncc(OC)n2)C1
349535453	ZINC000621496995	ref	7.64	-9.56	0	274.355	3.109	1	1	4	CC(C)[C@@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349535454	ZINC000621495881	ref	7.49	-9.56	0	272.339	3.006	1	1	3	C[C@H]1CC2(CCC2)CN1C(=O)NCC[C@@H]1CC1(F)F
349535455	ZINC000621495310	ref	6.45	-9.54	0	274.355	3.3	2	1	5	CC[C@@H]1CC[C@@H](NC(=O)NCC[C@H]2CC2(F)F)CC1
349535456	ZINC000621497349	ref	7.58	-8.19	0	274.355	3.108	1	1	3	C[C@H]1C[C@@H](C)CN(C(=O)NCC[C@@H]2CC2(F)F)[C@@H]1C
282123345	ZINC000151683151	ref	5.06	-9.72	0	305.374	2.258	1	4	6	COC[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCCO2)C(C)C
342081043	ZINC000625326766	mid	1.2	-5.27	0	265.357	1.734	1	4	5	COC[C@@H]1CCCC[N@@H+](Cc2cncc(OC)n2)C1
282123353	ZINC000151683757	ref	6.07	-41.48	1	303.406	2.212	3	2	3	CC[NH+]1CCC(NC(=O)N[C@H]2COc3ccc(C)cc32)CC1
365620000	ZINC000641589026	ref	3.4	-13.81	0	291.347	1.446	1	4	4	COc1ccc(OC(C)(C)C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
349535457	ZINC000621497284	ref	7.83	-9.04	0	274.355	3.109	1	1	3	C[C@@H]1CN(C(=O)NCC[C@@H]2CC2(F)F)CC(C)(C)C1
349535458	ZINC000621496539	ref	9.21	-10.95	0	296.361	3.49	1	1	5	Cc1cc(C)cc(CN(C)C(=O)NCC[C@H]2CC2(F)F)c1
136229379	ZINC000293326385	high	6.7	-3.17	0	216.328	2.167	0	2	5	C=CCN(C)CCN1CCc2ccccc21
342081044	ZINC000625326766	high	1.2	-5.27	0	265.357	1.734	0	5	5	COC[C@@H]1CCCCN(Cc2cncc(OC)n2)C1
342081045	ZINC000625318492	ref	5.36	-10.67	0	252.362	1.452	0	5	8	CCO[C@H](CN(CC)Cc1cn(C)nn1)C1CC1
342081046	ZINC000625318492	mid	6.75	-38.21	1	252.362	1.452	1	4	8	CCO[C@H](C[N@H+](CC)Cc1cn(C)nn1)C1CC1
365620007	ZINC000479693999	ref	3.78	-11.39	0	296.411	1.613	2	3	5	CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)CCO1
349535459	ZINC000621497876	ref	6.5	-9.51	0	272.339	3.054	2	1	4	O=C(NCC[C@H]1CC1(F)F)NC1CCC2(CC1)CC2
342081047	ZINC000625318492	mid	6.68	-39.19	1	252.362	1.452	1	4	8	CCO[C@H](C[N@@H+](CC)Cc1cn(C)nn1)C1CC1
342081048	ZINC000625326767	ref	3.21	-41.35	1	265.357	1.734	1	4	5	COC[C@H]1CCCC[N@H+](Cc2cncc(OC)n2)C1
349535460	ZINC000621496927	ref	9.46	-11.37	0	296.361	3.49	1	1	5	Cc1ccc(C)c(CN(C)C(=O)NCC[C@@H]2CC2(F)F)c1
185089471	ZINC000096077353	ref	8.16	-11.28	0	299.399	2.777	0	4	2	O=C1C[C@@]2(CCN(c3nccs3)C2)CN1c1ccccc1
185089472	ZINC000096075993	ref	7.23	-41.3	1	274.368	1.12	1	3	3	Cn1ccc(C(=O)N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)n1
343994205	ZINC000619372281	mid	6.52	-12.73	0	233.315	1.556	1	2	2	CC(C)(C(=O)N1CC[C@H]2C[C@H]2C1)c1c[nH]cn1
282123349	ZINC000449154918	ref	5.83	-39.07	1	284.444	2.334	2	2	8	C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1(CCOC)CCC1
282123658	ZINC000342673493	ref	7.82	-38.38	1	323.481	2.317	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCO1
185089473	ZINC000096075993	mid	7.27	-42.37	1	274.368	1.12	1	3	3	Cn1ccc(C(=O)N2CC[C@]3(CC[N@H+]3CC3CC3)C2)n1
185089474	ZINC000096075993	high	4.25	-12.49	0	274.368	1.12	0	4	3	Cn1ccc(C(=O)N2CC[C@]3(CCN3CC3CC3)C2)n1
185089475	ZINC000096076030	ref	5.54	-35.81	1	277.437	2.512	1	3	4	Cc1nc(CN2CC[C@]23CC[N@H+](CC2CC2)C3)cs1
185089476	ZINC000096076030	mid	5.63	-35.57	1	277.437	2.512	1	3	4	Cc1nc(CN2CC[C@]23CC[N@@H+](CC2CC2)C3)cs1
197595206	ZINC000290098864	ref	2.89	-8.37	0	291.351	2.497	0	6	6	COCCc1nc(CN2CCC[C@H]2c2ccc(C)o2)no1
349535461	ZINC000621494790	ref	8.06	-9.42	0	286.366	3.253	1	1	4	CC1(C2CC2)CCN(C(=O)NCC[C@H]2CC2(F)F)CC1
361823630	ZINC000035792901	mid	1.53	-10.24	0	276.258	2.11	2	3	5	C[C@H](N[C@H](C)C(N)=O)c1ccc(OC(F)(F)F)cc1
361823635	ZINC000035973247	ref	6.47	-47.79	1	296.374	2.478	3	2	4	O=C(Nc1cccnc1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1
185089477	ZINC000096076209	ref	8.24	-34.82	1	294.439	2.138	1	2	2	C[N@@H+]1CCOC[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1
185089478	ZINC000096076209	mid	8.63	-36.76	1	294.439	2.138	1	2	2	C[N@H+]1CCOC[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1
185089479	ZINC000096076209	high	6.53	-7.35	0	294.439	2.138	0	3	2	CN1CCOC[C@]2(CCCN(C(=O)CC3CCCC3)C2)C1
361823666	ZINC000635539262	ref	4.11	-40.57	1	295.358	1.318	3	3	6	CNc1ccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1F
214188493	ZINC000293628497	ref	4.02	-12.17	0	371.441	0.904	1	6	3	Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)cn2ccnc12
214188496	ZINC000293628497	mid	4.52	-33.7	1	371.441	0.904	1	5	3	Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCOCC2)cn2cc[nH+]c12
214188499	ZINC000293628497	low	7.34	-77.1	2	371.441	0.904	2	4	3	Cc1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCOCC2)cn2cc[nH+]c12
214188502	ZINC000293617945	ref	1.15	-13.86	0	362.426	0.869	3	5	8	COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1
210256876	ZINC000265965073	ref	3.08	-20.33	0	352.456	0.298	2	5	8	O=C(CSCC(=O)N1CCOCC1)NC[C@@H](O)Cc1ccccc1
210256888	ZINC000265966707	ref	6.59	-30.98	0	353.408	0.835	2	9	8	COC(=O)CCCc1nnc(NC(=O)N[C@H](C)Cn2cncn2)s1
214188500	ZINC000337628318	ref	-0.18	-12.08	0	261.297	-0.061	3	3	6	C[C@H](NC(=O)NC[C@H]1CCCO1)C(=O)NCCF
365620002	ZINC000274312304	ref	4.15	-9.94	0	279.336	1.928	1	5	5	CCOC(=O)[C@H]1CCCN1Cc1cccc(O)c1OC
365620010	ZINC000274312304	low	6.39	-36.37	1	279.336	1.928	2	4	5	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(O)c1OC
168364951	ZINC000044410912	ref	3.06	-73.82	0	169.18	0.868	1	3	3	C[C@@H]([NH3+])Cc1ccc(C(=O)[O-])o1
214188503	ZINC000337631146	ref	2.62	-10.53	0	288.269	2.157	2	3	5	C/C=C\C[C@@H](CO)NC(=O)c1ccncc1C(F)(F)F
214188504	ZINC000337628376	ref	3.9	-7.17	0	264.316	2.29	2	2	9	CCCCOCCCNC(=O)NC1(C(F)F)CC1
210256893	ZINC000265963405	ref	6.28	-24.21	0	359.361	0.848	1	6	6	CCc1nc(C(=O)NCCN2C(=O)CCC2=O)nn1-c1ccccc1F
365620016	ZINC000274312304	low	6.17	-31.01	1	279.336	1.928	2	4	5	CCOC(=O)[C@H]1CCC[N@H+]1Cc1cccc(O)c1OC
365620022	ZINC000274308288	ref	3.89	-10.17	0	270.383	1.447	2	5	3	O=C(NC[C@H]1CSCCS1)Nc1cncnc1
365620031	ZINC000274311181	ref	3.35	-45.06	1	290.314	1.091	2	4	7	C[C@H](CC[NH+](C)C)NC(=O)c1cc(OC(F)F)n(C)n1
365620041	ZINC000336728934	ref	-0.21	-38.02	-1	267.301	1.097	1	5	6	CC(C)(CN=c1[n-]nc(C(F)F)s1)OCCO
343994208	ZINC000619372281	low	6.46	-43.36	1	233.315	1.556	1	1	2	CC(C)(C(=O)N1CC[C@H]2C[C@H]2C1)c1c[nH+]c[nH]1
342081049	ZINC000625326767	mid	1.32	-5.94	0	265.357	1.734	1	4	5	COC[C@H]1CCCC[N@@H+](Cc2cncc(OC)n2)C1
365620063	ZINC000274309029	ref	3.0	-11.08	0	292.379	1.602	3	3	7	CC(C)C[C@H](C)NC(=O)CNC(=O)Cc1ccc(O)cc1
365620078	ZINC000274310051	ref	1.51	-7.34	0	283.324	1.038	1	6	5	COC(=O)c1ccoc1CN1CCOC[C@@H]1C[C@@H](C)O
365620091	ZINC000274309326	ref	4.98	-12.0	0	292.339	1.722	2	5	4	COC(=O)C1(CNC(=O)Nc2cncnc2)CCCCC1
210256900	ZINC000265964400	ref	4.01	-16.75	0	361.398	0.327	1	5	5	COC[C@H]1CN(C(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CCO1
210256908	ZINC000265962671	ref	4.42	-17.66	0	366.403	0.988	1	8	5	Cn1cc(S(=O)(=O)N2CCC(Nc3ncccc3[N+](=O)[O-])CC2)cn1
168364954	ZINC000054834492	ref	4.53	-41.6	1	180.255	0.432	1	3	3	C[C@@H]([NH3+])Cc1ccnc(N(C)C)n1
343994211	ZINC000625559079	ref	0.8	-18.6	0	234.321	-0.041	1	3	5	C/C=C\CNS(=O)(=O)[C@H](C)C(=O)N(C)C
342081050	ZINC000625326767	high	1.32	-5.94	0	265.357	1.734	0	5	5	COC[C@H]1CCCCN(Cc2cncc(OC)n2)C1
342081051	ZINC000625318571	ref	4.93	-37.19	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)cn1
214188506	ZINC000293629562	ref	7.15	-47.85	1	360.458	0.644	2	5	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCn1c(=O)n(C)c2ccccc21
214188510	ZINC000293629562	mid	7.4	-46.47	1	360.458	0.644	2	5	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCn1c(=O)n(C)c2ccccc21
214188511	ZINC000293629562	high	5.74	-15.93	0	360.458	0.644	1	6	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCn1c(=O)n(C)c2ccccc21
214188515	ZINC000293629910	ref	3.64	-55.06	1	352.439	0.422	2	6	8	CCOC(=O)N1CCC(NC(=O)CCC[NH2+]Cc2cnn(C)n2)CC1
214188517	ZINC000293629910	mid	2.29	-17.22	0	352.439	0.422	2	7	8	CCOC(=O)N1CCC(NC(=O)CCCNCc2cnn(C)n2)CC1
342081052	ZINC000625318571	mid	5.68	-36.97	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)cn1
342081053	ZINC000625318571	high	2.47	-11.29	0	289.383	1.217	1	5	3	CNc1cnc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cn1
342081054	ZINC000625318129	ref	3.54	-43.4	1	283.343	1.596	2	3	6	CO[C@@H](C[N@H+](C)[C@]1(CO)CCOC1)c1ccc(F)cc1
185089480	ZINC000096078460	ref	3.82	-40.79	1	264.329	0.284	2	5	3	c1cnc(NC[C@H]2CO[C@]3(C[NH2+]CCOC3)C2)nc1
343994209	ZINC000139396738	ref	3.62	-6.63	0	184.283	1.341	1	2	3	CCC(CC)N1C(=O)[C@@H](C)N[C@H]1C
290623548	ZINC000335981503	ref	6.39	-9.72	0	280.412	2.635	1	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)NCC3CCOCC3)C2)C1
185089483	ZINC000096075966	ref	6.35	-46.03	1	292.354	1.762	1	2	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1cccc(F)c1)C2
185089484	ZINC000096075966	mid	6.46	-38.71	1	292.354	1.762	1	2	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1cccc(F)c1)C2
185089485	ZINC000096075966	mid	3.39	-12.92	0	292.354	1.762	0	3	4	COCCN1CC[C@]12CCN(C(=O)c1cccc(F)c1)C2
342081055	ZINC000625318129	mid	3.8	-43.15	1	283.343	1.596	2	3	6	CO[C@@H](C[N@@H+](C)[C@]1(CO)CCOC1)c1ccc(F)cc1
342081056	ZINC000625318129	mid	1.7	-5.6	0	283.343	1.596	1	4	6	CO[C@@H](CN(C)[C@]1(CO)CCOC1)c1ccc(F)cc1
342081057	ZINC000625326827	ref	4.7	-19.07	0	295.232	1.742	1	3	8	O=C(COCC(F)F)NCCOc1ccc(F)cc1F
342081058	ZINC000625318312	ref	0.79	-39.63	1	257.374	1.057	3	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)[C@@H]1CCCOC1
178305516	ZINC000181871791	low	9.0	-40.03	1	240.31	2.435	0	3	2	Cc1cc2[nH+]cn(Cc3ccnn3C)c2cc1C
365620003	ZINC000354675797	ref	4.76	-15.56	0	287.425	1.704	0	3	2	C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H]2CCS(=O)(=O)C2)[C@H]1C
124847177	ZINC000054188548	ref	2.9	-54.46	1	283.322	0.99	2	2	5	O=C(NCCCN1CC[NH2+]CC1)c1cccc(F)c1F
124847183	ZINC000054187716	ref	10.07	-60.36	-1	252.161	1.013	0	7	3	O=C([O-])c1cccc(F)c1-n1cnc([N+](=O)[O-])n1
365620008	ZINC000354674593	ref	6.56	-35.28	1	295.427	1.234	2	2	4	CC(C)[C@H]1CCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1
365620014	ZINC000354674593	high	4.53	-5.68	0	295.427	1.234	1	3	4	CC(C)[C@H]1CCCN1C(=O)C(=O)NCC1(N(C)C)CCC1
365620017	ZINC000354674560	ref	4.61	-6.81	0	257.33	1.261	1	4	6	CCOC(=O)CNC(=O)C[C@H]1CCC[C@@H](OC)C1
365620021	ZINC000354674790	ref	5.44	-13.2	0	277.368	1.833	1	3	4	CO[C@H]1CCCN(C(=O)N[C@H](C)Cc2ccncc2)C1
365620027	ZINC000354675234	ref	5.5	-16.05	0	284.363	1.975	2	3	6	Cn1ccc(CCNC(=O)NC/C=C\c2ccccc2)n1
365620035	ZINC000354674766	ref	5.45	-13.36	0	277.368	1.833	1	3	4	CO[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccncc2)C1
365620044	ZINC000354673361	ref	5.17	-5.78	0	296.411	1.707	1	3	4	CC(C)CC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCO[C@@H]1C
365620051	ZINC000354675478	ref	4.04	-4.71	0	282.384	1.175	1	3	2	CC(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCO[C@@H]2C)C1
342081059	ZINC000625318653	ref	4.07	-45.84	1	264.329	1.318	1	5	8	COCC[C@H]([NH2+]CCc1cn(C)nn1)c1ccco1
168364955	ZINC000044460809	ref	4.67	-36.46	1	187.645	2.369	1	0	2	C[C@@H]([NH3+])Cc1cccc(Cl)c1F
168364959	ZINC000049689501	ref	0.58	-40.7	1	159.229	0.387	1	2	4	C[C@@H]([NH3+])COC[C@@H]1CCOC1
168364962	ZINC000044068881	ref	1.95	-38.55	1	125.171	1.169	1	1	2	C[C@@H]([NH3+])Cc1ccoc1
178304619	ZINC000237257554	ref	6.18	-49.42	1	355.442	1.823	3	5	6	COc1cc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)ccc1N
282123352	ZINC000248979212	ref	3.3	-14.79	0	313.419	1.688	1	4	7	C[C@@H]1OCC[C@H]1S(=O)(=O)N[C@H](C)COCc1ccccc1
342081060	ZINC000625318653	high	3.06	-11.79	0	264.329	1.318	1	6	8	COCC[C@H](NCCc1cn(C)nn1)c1ccco1
342081061	ZINC000625318608	ref	3.83	-39.6	1	295.427	1.744	3	4	7	CC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081062	ZINC000625318608	high	3.15	-8.29	0	295.427	1.744	3	5	7	CC[C@H](NC[C@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081063	ZINC000625326876	ref	3.74	-12.61	0	299.392	1.936	1	4	6	CCCCS(=O)(=O)NC[C@]1(C)COc2ccccc2O1
342081064	ZINC000625318861	ref	3.9	-7.7	0	262.419	1.989	1	2	6	CCN(C)S(=O)(=O)NCC[C@@H]1CCCC1(C)C
342081065	ZINC000625318674	ref	6.56	-14.33	0	278.396	1.94	1	2	2	CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C23CC(C2)C3)C1
365620005	ZINC000567750520	mid	4.63	-37.58	1	292.383	1.461	2	4	5	Cc1nc([C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C2CC2)no1
365620009	ZINC000567750520	mid	2.06	-7.57	0	292.383	1.461	1	5	5	Cc1nc([C@](C)(NC(=O)CN2CC[C@@H](C)C2)C2CC2)no1
365620015	ZINC000565251854	ref	6.65	-55.7	-1	294.263	1.196	1	6	5	COc1ccc([N+](=O)[O-])c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])C2)c1
365620030	ZINC000565247013	ref	5.38	-6.2	0	289.31	1.941	2	3	2	CC1(C)CC(NC(=O)C(=O)Nc2ccc(F)cc2C#N)C1
365620040	ZINC000172798156	ref	8.21	-54.76	1	251.406	1.016	1	3	2	Cn1nc2c(cc1=O)C[N@@H+](C[Si](C)(C)C)CC2
282123354	ZINC000280732857	ref	5.24	-15.88	0	285.307	1.104	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C#N)oc1C)CC2
214188507	ZINC000337630380	ref	2.54	-15.54	0	283.372	0.274	2	3	4	CC(=O)N[C@H](C)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1
346818865	ZINC000611565032	ref	5.48	-10.64	0	277.32	1.95	1	4	6	CCOC(=O)CCN(C(=O)c1cccc(O)c1)C1CC1
365620047	ZINC000172798156	mid	8.25	-54.7	1	251.406	1.016	1	3	2	Cn1nc2c(cc1=O)C[N@H+](C[Si](C)(C)C)CC2
365620053	ZINC000172798156	high	7.08	-9.32	0	251.406	1.016	0	4	2	Cn1nc2c(cc1=O)CN(C[Si](C)(C)C)CC2
343994213	ZINC000139396738	low	4.88	-45.9	1	184.283	1.341	1	1	3	CCC(CC)N1C(=O)[C@@H](C)[NH2+][C@H]1C
343994216	ZINC000139327706	ref	2.94	-6.06	0	182.267	1.097	1	2	2	CC[C@H]1NCC(=O)N1C1CCCC1
365620058	ZINC000565247212	ref	1.66	-53.07	1	299.421	1.416	2	4	4	N#Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)s1
365620066	ZINC000565247212	high	1.29	-61.33	0	299.421	1.416	1	4	4	N#Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]([NH3+])C2)s1
365620077	ZINC000336652101	ref	1.89	-8.57	0	288.141	1.933	2	3	4	C[C@@](O)(CNC(=O)c1ccoc1Br)C1CC1
365620095	ZINC000172801062	ref	6.4	-43.81	1	275.396	1.947	3	2	6	C[NH+]1CCC(C(=O)NCCCNc2ccccc2)CC1
398245894	ZINC000649443910	ref	8.18	-44.21	1	243.35	3.385	1	1	3	C1=C(c2cccc(OC3CCCC3)c2)CC[NH2+]C1
178304622	ZINC000237257554	mid	3.8	-13.84	0	355.442	1.823	2	6	6	COc1cc(NC(=O)CCN2CCN(c3ccccn3)CC2)ccc1N
214188512	ZINC000337630373	ref	2.53	-15.22	0	283.372	0.274	2	3	4	CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1
214188514	ZINC000337630144	ref	1.71	-19.85	0	287.722	2.112	3	2	4	CC(C)(CNC(=O)Nc1ccc(F)c(Cl)c1)C(N)=O
214188516	ZINC000337629515	ref	5.5	-8.37	0	276.384	2.296	1	3	2	CC1(C)CCCC[C@@H]1CC(=O)N1CCc2n[nH]nc2C1
214188520	ZINC000337629515	mid	5.55	-9.79	0	276.384	2.296	1	3	2	CC1(C)CCCC[C@@H]1CC(=O)N1CCc2[nH]nnc2C1
214188522	ZINC000337629078	ref	4.6	-15.23	0	295.342	2.17	3	3	5	O=C(Cc1ccccc1O)NCCc1c[nH]c2ncccc12
178304624	ZINC000237262098	ref	4.13	-49.58	1	351.472	1.199	2	3	6	C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1
178304628	ZINC000237260240	ref	6.93	-61.58	1	351.834	1.385	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CC[NH2+]CC1
178304629	ZINC000237260240	mid	5.67	-20.85	0	351.834	1.385	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N1CCNCC1
178304632	ZINC000237252723	ref	4.18	-52.63	1	365.861	1.675	2	3	6	COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178304635	ZINC000237250227	ref	3.68	-55.98	1	357.451	1.095	2	3	7	CN(CCCC(=O)N[C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(F)cc1
178304638	ZINC000237262483	ref	6.26	-60.65	1	365.861	1.633	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CC[NH2+]CC2)CC1
178304640	ZINC000237262483	mid	4.97	-16.34	0	365.861	1.633	1	4	3	COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N2CCNCC2)CC1
178304642	ZINC000237250469	ref	2.53	-14.1	0	361.364	1.406	2	4	7	Cc1cc(CN(C)C(=O)[C@H](N)CC(N)=O)cc(C)c1OCC(F)(F)F
178304645	ZINC000237250469	mid	2.86	-43.57	1	361.364	1.406	2	3	7	Cc1cc(CN(C)C(=O)[C@H]([NH3+])CC(N)=O)cc(C)c1OCC(F)(F)F
178304648	ZINC000237260978	ref	6.8	-58.84	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1
178304651	ZINC000237251738	ref	5.54	-51.05	1	350.85	1.941	2	2	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1
178304653	ZINC000237251808	ref	4.57	-67.03	-1	350.396	1.955	0	7	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2nc(-c3cccs3)oc2C)C1
178304657	ZINC000237250054	ref	5.3	-53.35	1	371.528	1.604	1	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1
178305358	ZINC000002666083	ref	10.91	-9.65	0	236.318	3.701	0	2	2	Cc1cc2ncn(Cc3ccccc3)c2cc1C
361823632	ZINC000599872746	ref	1.79	-56.52	-1	294.336	0.439	0	5	3	CC1(C#N)CN(C(=O)c2ccc([N-]S(C)(=O)=O)nc2)C1
349535462	ZINC000621496993	ref	7.64	-9.49	0	274.355	3.109	1	1	4	CC(C)[C@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
361823640	ZINC000599872746	mid	1.93	-27.0	0	294.336	0.439	1	5	3	CC1(C#N)CN(C(=O)c2ccc(NS(C)(=O)=O)nc2)C1
361823646	ZINC000599874037	ref	5.0	-12.3	0	253.298	0.647	1	4	7	C=CCOC[C@H](NC(=O)C12CC(C1)C2)C(=O)OC
361823653	ZINC000599874680	ref	4.57	-16.46	0	295.339	0.685	1	6	8	C=CCOC[C@H](NC(=O)c1cn(CC)nc1C)C(=O)OC
361823658	ZINC000599871011	ref	1.82	-9.5	0	288.307	0.267	2	5	1	Cc1c(N)cccc1NC(=O)C(=O)N1CCO[C@H](C#N)C1
185089486	ZINC000096075965	ref	6.44	-43.42	1	292.354	1.762	1	2	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1cccc(F)c1)C2
185089487	ZINC000096075965	mid	6.51	-47.34	1	292.354	1.762	1	2	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1cccc(F)c1)C2
185089488	ZINC000096075965	mid	3.4	-11.66	0	292.354	1.762	0	3	4	COCCN1CC[C@@]12CCN(C(=O)c1cccc(F)c1)C2
342081066	ZINC000157764605	ref	4.71	-46.54	1	253.346	1.141	3	2	5	C[C@H]([NH2+][C@H](C)C1CCC1)C(=O)NC(=O)NC1CC1
185089490	ZINC000096078747	ref	4.51	-41.69	1	254.374	2.272	1	2	2	F[C@H]1CC[NH2+]C[C@@]12CCN(Cc1ccsc1)C2
185089491	ZINC000096078747	mid	6.97	-115.26	2	254.374	2.272	2	1	2	F[C@H]1CC[NH2+]C[C@@]12CC[N@H+](Cc1ccsc1)C2
185089492	ZINC000096078747	mid	6.96	-112.06	2	254.374	2.272	2	1	2	F[C@H]1CC[NH2+]C[C@@]12CC[N@@H+](Cc1ccsc1)C2
185089493	ZINC000096076155	ref	9.27	-16.8	0	294.358	1.972	0	4	2	O=C(c1ccccc1)N1CC[C@]2(CCN2c2ncccn2)C1
185089494	ZINC000096075917	ref	6.21	-53.32	1	285.351	1.04	1	4	2	CC[N@@H+]1CC[C@@]12CCN(C(=O)c1cnn3cccnc13)C2
282123356	ZINC000248979623	ref	0.54	-13.53	0	302.396	1.269	2	4	6	C[C@H]1CCCN(S(=O)(=O)N[C@H](CCO)c2ccco2)C1
282123359	ZINC000248977979	ref	4.36	-40.15	1	312.439	1.522	2	6	7	CCCCc1nnc(NC(=O)CN2CC[C@@H](C)[C@H]2CO)s1
282123360	ZINC000248977979	low	4.7	-45.99	1	312.439	1.522	3	5	7	CCCCc1nnc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)s1
282123364	ZINC000248977979	low	4.36	-40.15	1	312.439	1.522	3	5	7	CCCCc1nnc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H]2CO)s1
342081067	ZINC000625327028	ref	3.9	-34.65	1	254.374	1.435	2	2	7	CCO[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)C1CC1
342081068	ZINC000625327050	ref	2.63	-12.82	0	261.387	1.687	1	3	7	C=CC(C)(C)CCNS(=O)(=O)C[C@H]1CCCO1
342081069	ZINC000625327093	ref	3.23	-14.73	0	271.386	1.609	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cn(C)c(C)n1
185089495	ZINC000096075917	mid	6.21	-53.42	1	285.351	1.04	1	4	2	CC[N@H+]1CC[C@@]12CCN(C(=O)c1cnn3cccnc13)C2
185089496	ZINC000096075917	high	3.1	-18.18	0	285.351	1.04	0	5	2	CCN1CC[C@@]12CCN(C(=O)c1cnn3cccnc13)C2
282123367	ZINC000248979189	ref	1.85	-41.55	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1
342081070	ZINC000625327093	high	2.85	-54.37	-1	271.386	1.609	0	4	6	C=CC(C)(C)CC[N-]S(=O)(=O)c1cn(C)c(C)n1
342081071	ZINC000625318973	ref	8.5	-56.22	1	296.378	1.894	1	5	6	C[C@@H]([NH2+]CCc1cn(C)nn1)c1cccc(-n2ccnc2)c1
342081072	ZINC000625318973	low	9.01	-94.4	2	296.378	1.894	1	4	6	C[C@@H]([NH2+]CCc1cn(C)nn1)c1cccc(-n2cc[nH+]c2)c1
342081073	ZINC000625318860	ref	3.9	-7.7	0	262.419	1.989	1	2	6	CCN(C)S(=O)(=O)NCC[C@H]1CCCC1(C)C
342081074	ZINC000625326875	ref	3.7	-15.95	0	299.392	1.936	1	4	6	CCCCS(=O)(=O)NC[C@@]1(C)COc2ccccc2O1
342081075	ZINC000625318253	ref	5.15	-36.06	1	288.395	1.631	2	4	8	CC[C@@H](CO)[N@H+](CCc1cn(C)nn1)Cc1ccccc1
342081076	ZINC000625318253	mid	5.81	-37.76	1	288.395	1.631	2	4	8	CC[C@@H](CO)[N@@H+](CCc1cn(C)nn1)Cc1ccccc1
342081077	ZINC000625326834	ref	4.25	-10.51	0	297.42	1.747	1	3	6	COCCS(=O)(=O)NCC1CCc2ccccc2CC1
342081078	ZINC000625318131	ref	3.46	-41.52	1	283.343	1.596	2	3	6	CO[C@@H](C[N@H+](C)[C@@]1(CO)CCOC1)c1ccc(F)cc1
342081079	ZINC000625318131	mid	3.82	-41.0	1	283.343	1.596	2	3	6	CO[C@@H](C[N@@H+](C)[C@@]1(CO)CCOC1)c1ccc(F)cc1
342081080	ZINC000625318131	mid	1.71	-5.97	0	283.343	1.596	1	4	6	CO[C@@H](CN(C)[C@@]1(CO)CCOC1)c1ccc(F)cc1
185089497	ZINC000096076004	ref	8.96	-43.36	1	290.432	2.377	1	2	4	O=C(Cc1cccs1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
185089498	ZINC000096076004	mid	9.05	-41.78	1	290.432	2.377	1	2	4	O=C(Cc1cccs1)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
185089499	ZINC000096076004	high	6.02	-8.4	0	290.432	2.377	0	3	4	O=C(Cc1cccs1)N1CC[C@@]2(CCN2CC2CC2)C1
342081081	ZINC000625318493	ref	4.44	-9.17	0	252.362	1.452	0	5	8	CCO[C@@H](CN(CC)Cc1cn(C)nn1)C1CC1
342081082	ZINC000625318493	mid	7.03	-37.67	1	252.362	1.452	1	4	8	CCO[C@@H](C[N@H+](CC)Cc1cn(C)nn1)C1CC1
342081083	ZINC000625318493	mid	6.59	-37.75	1	252.362	1.452	1	4	8	CCO[C@@H](C[N@@H+](CC)Cc1cn(C)nn1)C1CC1
342081084	ZINC000625318675	ref	6.56	-14.31	0	278.396	1.94	1	2	2	CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C23CC(C2)C3)C1
342081085	ZINC000625318306	ref	0.7	-39.84	1	257.374	1.057	3	3	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)[C@H]1CCCOC1
342081086	ZINC000157764477	ref	4.9	-46.82	1	253.346	1.141	3	2	5	C[C@H]([NH2+][C@@H](C)C1CCC1)C(=O)NC(=O)NC1CC1
342081087	ZINC000625317997	ref	6.83	-38.86	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)n1
342081088	ZINC000625317997	mid	7.8	-34.39	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)n1
342081089	ZINC000625317997	high	4.38	-10.52	0	296.802	1.772	0	4	2	CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1nn(C)cc1Cl
342081090	ZINC000625318847	ref	7.3	-47.39	1	271.368	1.317	1	4	5	Cn1cc(CC[N@@H+]2CC[C@H](Cc3ccncc3)C2)nn1
342081091	ZINC000625318847	mid	7.34	-48.37	1	271.368	1.317	1	4	5	Cn1cc(CC[N@H+]2CC[C@H](Cc3ccncc3)C2)nn1
178304659	ZINC000237259409	ref	6.19	-62.51	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H]([NH3+])C1CC1
178304661	ZINC000237245437	ref	4.48	-52.89	1	359.348	1.662	2	3	6	C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
178304664	ZINC000237259619	ref	6.4	-57.63	1	365.861	1.821	2	3	4	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1
178304666	ZINC000237253308	ref	3.76	-48.22	1	360.863	1.795	2	4	6	COC(=O)c1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)c(Cl)c1
178304670	ZINC000237253308	high	3.9	-58.94	0	360.863	1.795	1	4	6	COC(=O)c1ccc(S(=O)(=O)[N-]CC[C@H]2CCC[NH2+]C2)c(Cl)c1
178304672	ZINC000237254302	ref	3.75	-58.66	1	359.43	1.192	2	6	7	COc1ccc(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1OC
178304673	ZINC000237255736	ref	5.34	-91.64	2	362.474	1.676	4	3	9	COCC[NH2+]CC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1
178304677	ZINC000237255736	mid	3.24	-51.14	1	362.474	1.676	3	4	9	COCC[NH2+]CC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1
178304678	ZINC000237255736	high	1.9	-14.0	0	362.474	1.676	3	5	9	COCCNCC(=O)Nc1cccc(NC(=O)CN2CCCCCC2)c1
178304681	ZINC000237247267	ref	3.77	-62.53	1	357.451	1.176	1	3	6	CN(CCCC(=O)N1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1
178304683	ZINC000237245311	ref	2.53	-52.16	1	352.456	1.751	1	4	3	CN(C1C[C@@H]2CC[C@H](C1)[NH2+]2)S(=O)(=O)c1ccc2c(c1)OCCCO2
210256912	ZINC000265969174	ref	0.9	-8.88	0	353.394	0.734	3	5	5	CC(C)[C@H](O)CNC(=O)C(=O)Nc1cc(F)cc(N2CCOCC2)c1
210256920	ZINC000265967055	ref	3.89	-13.75	0	354.403	0.922	1	6	7	COCCOC(=O)c1c(C)[nH]c(C(=O)N2CCO[C@@H](COC)C2)c1C
210256799	ZINC000428366061	ref	-1.13	-18.43	0	326.397	0.103	1	5	5	N#Cc1c(F)cccc1CN1CCN(CCS(N)(=O)=O)CC1
210256802	ZINC000428366061	low	1.16	-51.46	1	326.397	0.103	2	4	5	N#Cc1c(F)cccc1CN1CC[NH+](CCS(N)(=O)=O)CC1
210256808	ZINC000428348245	ref	2.74	-17.49	0	328.438	0.902	3	4	6	CCS[C@@H]1CCCC[C@H]1NC(=O)NCCN1C(=O)CNC1=O
412491615	ZINC000613753229	low	3.68	-45.72	1	323.397	-0.247	2	6	7	COC[C@H](OC)C(=O)N1CC[C@H]([N@@H+](C)Cc2nccc(N)n2)C1
178304687	ZINC000237256957	ref	8.1	-67.73	-1	357.41	1.862	0	6	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2ccc(Cn3nc(C)cc3C)cc2)C1
178304689	ZINC000237250278	ref	5.91	-55.44	1	360.487	1.81	1	6	4	CN(Cc1nc2c(s1)CCCC2)C(=O)c1cn(C2CC[NH2+]CC2)nn1
365620011	ZINC000121828299	ref	8.49	-84.22	2	283.46	2.097	3	1	8	CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)[NH+](C)C
365620024	ZINC000121828299	mid	8.81	-83.51	2	283.46	2.097	3	1	8	CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+](C)C
365620028	ZINC000121828299	high	5.72	-39.12	1	283.46	2.097	2	2	8	CCC[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@@H]1C)N(C)C
365620034	ZINC000121828299	high	6.03	-38.56	1	283.46	2.097	2	2	8	CCC[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)N(C)C
365620042	ZINC000121828906	ref	5.07	-15.09	0	283.397	2.341	1	5	7	CC(C)[C@H](C)NC(=O)CSCc1nc(C2CC2)no1
365620057	ZINC000121831245	ref	4.26	-12.12	0	292.289	2.367	3	2	2	O=C(Nc1cc(F)ccc1F)N[C@H]1CCc2n[nH]cc2C1
342081092	ZINC000625318610	ref	2.58	-38.37	1	295.427	1.744	3	4	7	CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081093	ZINC000625318610	high	1.24	-9.53	0	295.427	1.744	3	5	7	CC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081094	ZINC000625318075	ref	-1.05	-8.41	0	289.335	1.317	2	6	7	COc1cncc(CN[C@@H](CO)c2ccccc2OC)n1
342081095	ZINC000625318075	low	-0.09	-41.04	1	289.335	1.317	2	5	7	COc1cncc(C[NH2+][C@@H](CO)c2ccccc2OC)n1
342081096	ZINC000625318599	ref	6.17	-12.38	0	271.324	1.459	0	5	2	Cc1nccn1[C@H]1CCCN(C(=O)c2cccnn2)C1
342081097	ZINC000625318599	mid	6.64	-33.29	1	271.324	1.459	0	4	2	Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccnn2)C1
342081098	ZINC000625318794	ref	4.37	-42.19	1	256.39	1.553	2	2	5	C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@H]1CCCOC1
342081099	ZINC000625319029	ref	4.99	-43.62	1	278.356	1.49	1	5	8	CCc1ccc([C@H](COC)[NH2+]CCc2cn(C)nn2)o1
365620072	ZINC000121825152	ref	5.02	-12.25	0	298.342	2.389	1	4	3	Cc1ccc(O)c(C(=O)N2CC[C@H](Oc3ccncc3)C2)c1
365620081	ZINC000121825152	low	5.47	-39.67	1	298.342	2.389	1	3	3	Cc1ccc(O)c(C(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)c1
342081100	ZINC000625319029	mid	3.68	-12.76	0	278.356	1.49	1	6	8	CCc1ccc([C@H](COC)NCCc2cn(C)nn2)o1
199273130	ZINC000294962868	ref	1.78	-11.2	0	264.289	0.786	2	7	6	CCc1nnc(CNc2nc(OC)cc(OC)n2)[nH]1
365620086	ZINC000121825152	high	5.91	-57.27	-1	298.342	2.389	0	4	3	Cc1ccc([O-])c(C(=O)N2CC[C@H](Oc3ccncc3)C2)c1
342081101	ZINC000625318569	ref	4.85	-37.67	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cn1
185089500	ZINC000096078770	ref	6.13	-10.27	0	293.37	2.681	1	3	1	O=C(c1ccncc1)N1CCC2(CC1)CNc1ccccc12
365620093	ZINC000121830227	ref	7.71	-13.93	0	286.441	2.035	1	3	6	CCSCC[C@H](C)NC(=O)[C@H]1CCCCN1C(C)=O
185089501	ZINC000096075397	ref	4.47	-16.7	0	288.351	1.094	0	4	2	CCN1C(=O)CCC12CCN(C(=O)c1ccnnc1)CC2
349535463	ZINC000621497109	ref	8.15	-8.82	0	294.439	3.022	1	2	5	CC(C)C[C@@H]1C[C@@H](NC(=O)N2CC(CC3CC3)C2)CCO1
349535465	ZINC000621496992	ref	7.64	-9.69	0	274.355	3.109	1	1	4	CC(C)[C@@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
349535467	ZINC000621497024	ref	7.13	-9.33	0	260.328	3.006	1	1	3	C[C@@H]1CCCCCN1C(=O)NCC[C@H]1CC1(F)F
349535470	ZINC000621496095	ref	8.56	-10.33	0	294.345	3.108	1	1	3	Cc1cccc2c1CN(C(=O)NCC[C@@H]1CC1(F)F)CC2
214188508	ZINC000053561843	ref	7.01	-13.78	0	334.47	2.885	1	6	4	Cc1cc(N)nc(SCC(=O)N2CCC[C@@H]2c2ccsc2)n1
282123358	ZINC000151683757	high	3.69	-8.32	0	303.406	2.212	2	3	3	CCN1CCC(NC(=O)N[C@H]2COc3ccc(C)cc32)CC1
342597167	ZINC000590787092	mid	4.5	-36.97	1	266.389	1.93	1	4	5	Cc1nc(CN2CCC(C[N@H+](C)C(C)C)CC2)no1
349535471	ZINC000621496939	ref	8.51	-9.48	0	250.386	3.173	1	1	7	C=CCCC[C@H](C)NC(=O)N1CC(CC2CC2)C1
214188513	ZINC000053561843	low	7.44	-32.45	1	334.47	2.885	1	5	4	Cc1cc(N)nc(SCC(=O)N2CCC[C@@H]2c2ccsc2)[nH+]1
214188518	ZINC000053561905	ref	6.96	-46.27	1	326.485	1.665	3	2	6	CC1CC[NH+](CCCNC(=O)N(C)CC(=O)NC(C)(C)C)CC1
342597168	ZINC000590787092	low	6.89	-90.43	2	266.389	1.93	2	3	5	Cc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)no1
398245895	ZINC000650859799	mid	6.59	-40.68	1	265.401	1.96	3	1	3	C[N@H+]1CCC[C@@H](CNC(=O)NC2CC3(CCC3)C2)C1
197595223	ZINC000290099473	ref	4.24	-16.7	0	295.408	2.196	3	4	8	O=C(NCCSCCCO)Nc1cc(C2CC2)ccn1
185089502	ZINC000096077576	ref	1.84	-18.23	0	298.368	-0.191	0	5	2	Cn1cc(N2C[C@@]3(CCN(S(C)(=O)=O)C3)CC2=O)cn1
185089503	ZINC000096075929	ref	6.21	-40.53	1	250.367	2.058	1	2	2	CC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccsc1)C2
214188523	ZINC000053559677	ref	4.27	-13.32	0	348.758	3.007	2	6	5	COC(=O)c1sc(NC[C@@H](O)c2ccc(F)c(F)c2)nc1Cl
214188526	ZINC000053577410	ref	5.97	-13.0	0	346.452	2.484	1	3	5	Cc1ccc(C)c(C(=O)NCc2ccc(S(=O)(=O)N(C)C)cc2)c1
214188535	ZINC000053572037	ref	7.52	-9.66	0	335.408	0.968	2	7	5	C[C@@H]1CCCC[C@@H]1OCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C
214188538	ZINC000053572222	ref	6.62	-11.25	0	326.805	3.246	1	6	6	COC(=O)c1sc(NCCc2cccc(OC)c2)nc1Cl
214188541	ZINC000053577641	ref	6.3	-46.03	1	340.387	2.176	1	7	6	c1cc(Oc2ccc3nnnn3n2)ccc1OCC[NH+]1CCCCC1
219048316	ZINC000350694748	ref	3.98	-14.01	0	277.368	2.31	3	3	4	Cc1ccnc(NC(=O)NC[C@@H]2CCC[C@H](CO)C2)c1
342081102	ZINC000625318569	mid	5.8	-33.25	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)cn1
185089504	ZINC000096075929	mid	6.23	-42.11	1	250.367	2.058	1	2	2	CC[N@H+]1CC[C@@]12CCN(C(=O)c1ccsc1)C2
185089505	ZINC000096075929	mid	3.1	-8.91	0	250.367	2.058	0	3	2	CCN1CC[C@@]12CCN(C(=O)c1ccsc1)C2
282123366	ZINC000151683699	ref	6.07	-39.71	1	303.406	2.212	3	2	3	CC[NH+]1CCC(NC(=O)N[C@@H]2COc3ccc(C)cc32)CC1
365620019	ZINC000641589201	ref	3.89	-12.37	0	251.713	1.855	1	2	1	Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1Cl
365620023	ZINC000641589228	ref	2.68	-8.34	0	286.253	1.616	1	3	1	Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@@H]2C[C@]2(O)C1
197595226	ZINC000290100019	ref	4.94	-4.95	0	268.076	2.903	1	1	4	Fc1ccccc1CNCC(F)(F)Br
398245896	ZINC000650859799	high	4.2	-6.88	0	265.401	1.96	2	2	3	CN1CCC[C@@H](CNC(=O)NC2CC3(CCC3)C2)C1
219048321	ZINC000350688333	ref	4.35	-16.88	0	293.277	2.439	2	4	4	Cc1ccnc(NC(=O)NCc2nccc(C(F)F)n2)c1
365620029	ZINC000641589118	ref	6.17	-11.32	0	289.762	1.819	1	2	1	O=C([C@H]1[C@H]2c3ccc(Cl)cc3C[C@H]21)N1C[C@H]2C[C@@]2(O)C1
398245899	ZINC000650860081	ref	1.58	-11.08	0	294.351	1.839	1	5	4	CCOc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@H]2O)co1
219048323	ZINC000350683091	ref	6.71	-10.98	0	279.38	2.239	1	3	7	Cc1ccccc1OCCCN(C)C(=O)[C@H](O)C(C)C
219048325	ZINC000350685343	ref	0.98	-6.23	0	253.346	2.228	2	5	8	CCOc1cncc(NCCC(O)(CC)CC)n1
219048327	ZINC000350685809	ref	5.29	-30.5	1	258.365	3.01	2	2	6	CCC(O)(CC)CCNc1cc[nH+]c2ccccc12
219048329	ZINC000350685809	high	4.86	-8.05	0	258.365	3.01	2	3	6	CCC(O)(CC)CCNc1ccnc2ccccc12
168364956	ZINC000368499191	ref	8.01	-55.2	1	326.396	3.219	2	3	6	O=C1CC[C@H]([NH2+]Cc2ccc(Oc3ccccc3)o2)[C@H](C2CC2)N1
219048333	ZINC000350683834	ref	7.22	-41.62	1	273.327	2.149	1	3	6	C[N@@H+](Cc1cnn(CC(F)F)c1)C[C@H]1CCCCO1
219048335	ZINC000350683834	mid	7.22	-43.46	1	273.327	2.149	1	3	6	C[N@H+](Cc1cnn(CC(F)F)c1)C[C@H]1CCCCO1
219048336	ZINC000350683834	mid	4.81	-8.0	0	273.327	2.149	0	4	6	CN(Cc1cnn(CC(F)F)c1)C[C@H]1CCCCO1
342081103	ZINC000625318569	high	2.39	-8.51	0	289.383	1.217	1	5	3	CNc1cnc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cn1
342081104	ZINC000625326808	ref	6.33	-39.81	1	270.417	1.897	2	2	5	COC[C@@H]1CCCC[N@H+](CC(=O)NCC(C)(C)C)C1
398245898	ZINC000649443774	ref	2.53	-8.05	0	249.291	2.074	1	5	2	OCc1cc2c(cc1-c1nccs1)OCCO2
178304675	ZINC000045620925	ref	6.99	-10.9	0	232.327	2.814	1	3	4	Cc1cc2ncn(CCC[C@H](C)O)c2cc1C
214188519	ZINC000293635200	ref	4.19	-22.6	0	365.459	0.76	0	6	3	Cc1cc(C)n2nc(C)c(C(=O)N(C)[C@@H]3CCN(S(C)(=O)=O)C3)c2n1
398245903	ZINC000649444082	ref	5.47	-11.13	0	215.256	1.993	0	4	2	CC(=O)c1ccc(-c2cnn(C)c2C)nc1
214188521	ZINC000293617608	ref	4.53	-15.48	0	361.35	0.871	2	7	7	COc1coc(C(=O)N[C@H](C(=O)OCc2ccccc2)[C@H](C)O)cc1=O
178304685	ZINC000045620925	low	7.47	-33.13	1	232.327	2.814	1	2	4	Cc1cc2[nH+]cn(CCC[C@H](C)O)c2cc1C
398245906	ZINC000649444067	ref	3.62	-11.05	0	244.294	1.691	1	4	2	Cc1c(-c2ccc3c(c2)C[C@H](CO)O3)cnn1C
398245910	ZINC000649444052	ref	3.45	-39.61	1	214.268	1.307	2	1	1	O=C1NCc2cccc(C3=CC[NH2+]CC3)c21
185089506	ZINC000096078752	ref	4.38	-46.79	1	291.355	-0.591	1	4	3	Cn1cc(C(=O)N2CCC23CN(C(=O)C[NH+](C)C)C3)cn1
185089507	ZINC000096078752	mid	1.96	-24.29	0	291.355	-0.591	0	5	3	CN(C)CC(=O)N1CC2(CCN2C(=O)c2cnn(C)c2)C1
214188524	ZINC000293631240	ref	1.11	-19.44	0	361.398	0.395	3	5	4	NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)c1
214188528	ZINC000293634984	ref	0.83	-12.89	0	364.446	0.42	3	5	9	CC[C@H](C)[C@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCCN1CCOCC1
178304694	ZINC000019281656	ref	6.08	-48.34	1	203.289	2.0	1	2	2	Cc1cc2ncn(C[C@@H](C)[NH3+])c2cc1C
178304697	ZINC000019281656	low	6.55	-101.45	2	203.289	2.0	1	1	2	Cc1cc2[nH+]cn(C[C@@H](C)[NH3+])c2cc1C
178304699	ZINC000134762980	ref	8.57	-9.1	0	244.338	3.08	0	3	2	Cc1cc2ncn(CC3CCOCC3)c2cc1C
178304703	ZINC000134762980	low	9.05	-33.69	1	244.338	3.08	0	2	2	Cc1cc2[nH+]cn(CC3CCOCC3)c2cc1C
342597169	ZINC000590787092	low	6.87	-91.95	2	266.389	1.93	2	3	5	Cc1nc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)no1
185089509	ZINC000096076579	ref	5.89	-40.72	1	296.392	0.921	1	4	1	C[N@@H+]1CCOC[C@]2(CN(C(=O)c3ccsc3)CCO2)C1
185089510	ZINC000096076579	mid	5.91	-37.38	1	296.392	0.921	1	4	1	C[N@H+]1CCOC[C@]2(CN(C(=O)c3ccsc3)CCO2)C1
342597170	ZINC000590785887	ref	6.73	-12.74	0	283.331	1.56	1	3	3	N#CCc1cccc(NC(=O)C(=O)N2CC(C3CC3)C2)c1
178304715	ZINC000042410081	ref	8.58	-49.97	1	231.343	2.651	1	2	4	Cc1cc2ncn(CC[NH2+]C(C)C)c2cc1C
214190477	ZINC000278496191	low	5.06	-12.7	0	304.375	1.963	1	5	4	CCc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n(C)n1
343994214	ZINC000625559244	ref	2.82	-7.93	0	232.349	1.127	1	2	6	C/C=C/CNS(=O)(=O)N(C)[C@@H](C)C1CC1
214188525	ZINC000337630805	ref	1.23	-15.45	0	276.283	0.932	2	3	4	O=C1CC[C@H](C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)N1
214188527	ZINC000337630166	ref	5.73	-5.56	0	292.354	2.165	2	2	5	CC(C)[C@@H](NC(=O)C(=O)NCC1CC1)c1ccc(F)cc1
343994217	ZINC000625559349	ref	2.44	-8.03	0	220.338	0.985	1	2	6	C/C=C\CNS(=O)(=O)N(C)CC(C)C
185089511	ZINC000096076579	high	4.15	-8.78	0	296.392	0.921	0	5	1	CN1CCOC[C@@]2(C1)CN(C(=O)c1ccsc1)CCO2
185089512	ZINC000096078751	ref	6.64	-39.1	1	274.368	1.12	1	3	3	Cn1cc(C(=O)N2CCC23C[NH+](CC2CCC2)C3)cn1
185089513	ZINC000096078751	mid	3.41	-13.64	0	274.368	1.12	0	4	3	Cn1cc(C(=O)N2CCC23CN(CC2CCC2)C3)cn1
185089514	ZINC000096075398	ref	7.73	-9.24	0	293.436	2.761	0	4	3	CC(C)CN1C(=O)CCC12CCN(c1nccs1)CC2
342081105	ZINC000625326808	mid	6.44	-39.6	1	270.417	1.897	2	2	5	COC[C@@H]1CCCC[N@@H+](CC(=O)NCC(C)(C)C)C1
342081106	ZINC000625326808	high	3.94	-6.35	0	270.417	1.897	1	3	5	COC[C@@H]1CCCCN(CC(=O)NCC(C)(C)C)C1
214188530	ZINC000337632367	ref	2.41	-11.31	0	275.23	0.918	1	3	3	CN(C)C(=O)CNC(=O)c1ccncc1C(F)(F)F
214188532	ZINC000337628974	ref	6.37	-35.11	1	284.444	2.43	2	2	8	CCOCCCNC(=O)[C@H](C)[NH+]1CCC(C)(CC)CC1
214188534	ZINC000337628974	high	3.98	-5.89	0	284.444	2.43	1	3	8	CCOCCCNC(=O)[C@H](C)N1CCC(C)(CC)CC1
342081107	ZINC000625318701	ref	3.96	-36.04	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)co1
342081108	ZINC000625318701	mid	3.19	-36.82	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)co1
214188537	ZINC000337631478	ref	6.57	-7.42	0	275.396	2.491	2	3	7	CCC(C)(C)CNC(=O)c1ccc(NCC2CC2)nc1
342081109	ZINC000625318701	high	1.95	-7.73	0	279.34	1.382	0	5	3	COc1nc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)co1
214188540	ZINC000337630143	ref	4.89	-47.32	1	265.361	0.587	3	3	7	Cc1nccn1CCCNC(=O)NCC[NH+]1CCC1
214188542	ZINC000337630143	low	5.36	-80.63	2	265.361	0.587	3	2	7	Cc1[nH+]ccn1CCCNC(=O)NCC[NH+]1CCC1
214188543	ZINC000337630143	high	1.71	-14.32	0	265.361	0.587	2	4	7	Cc1nccn1CCCNC(=O)NCCN1CCC1
214188546	ZINC000337630190	ref	1.6	-16.58	0	297.355	-0.035	1	6	7	CN(CCOCCO)C(=O)[C@H]1CCO[C@@H]1c1cnn(C)c1
214188549	ZINC000337631815	ref	3.15	-11.76	0	261.318	0.043	1	5	9	CCN(CCOCCO)C(=O)[C@H](C)CC(=O)OC
342081110	ZINC000625318006	ref	7.78	-37.61	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)n1
210256821	ZINC000428346695	ref	1.94	-16.75	0	327.454	0.94	2	5	5	Cc1nnc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)[nH]1
349535464	ZINC000618816277	ref	5.95	-23.2	0	280.372	1.369	0	5	5	CO[C@@H](C(=O)N(C)Cc1cn(C)nn1)C1CCCCC1
361823636	ZINC000614362161	mid	5.34	-15.71	0	304.35	1.25	2	5	8	COc1cccc([C@@H](OC)C(=O)NCCCc2nc[nH]n2)c1
312713544	ZINC000176929802	ref	7.68	-12.92	0	266.385	2.178	0	2	2	C[C@H]1CC[C@H](C)N1C(=O)CN1CCCCCCC1=O
342597171	ZINC000590785395	ref	5.31	-14.69	0	275.283	1.262	1	3	2	CC1(F)CN(C(=O)C(=O)Nc2cccc(CC#N)c2)C1
342597172	ZINC000616976722	ref	7.95	-12.36	0	290.371	1.446	1	6	6	CC[C@@H](C)N(CC)C(=O)CCn1cnc2c(N)ncnc21
342597173	ZINC000590785505	ref	5.26	-42.47	1	276.38	1.565	3	2	4	CC(C)CNC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
342597174	ZINC000590785505	mid	5.26	-43.38	1	276.38	1.565	3	2	4	CC(C)CNC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
342597175	ZINC000590785505	mid	3.5	-10.03	0	276.38	1.565	2	3	4	CC(C)CNC(=O)CN1CCc2ccc(O)cc2CC1
342597176	ZINC000590785285	ref	5.37	-42.15	1	260.337	1.025	2	2	2	O=C(C[N@H+]1CCc2ccc(O)cc2CC1)N1CCC1
282123365	ZINC000263880304	ref	7.86	-16.03	0	343.818	2.476	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1c(Cl)c3ccccc3n1C)CC2
361823642	ZINC000614361545	ref	7.32	-23.91	0	301.325	1.798	2	4	5	Cn1cc(C(=O)NCCCc2nnc[nH]2)c2cc(F)ccc21
210256826	ZINC000428346695	mid	1.68	-14.15	0	327.454	0.94	2	5	5	Cc1nc(CN2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n[nH]1
361823647	ZINC000614361545	mid	6.93	-22.12	0	301.325	1.798	2	4	5	Cn1cc(C(=O)NCCCc2nc[nH]n2)c2cc(F)ccc21
342597177	ZINC000590785285	mid	5.37	-41.25	1	260.337	1.025	2	2	2	O=C(C[N@@H+]1CCc2ccc(O)cc2CC1)N1CCC1
342597178	ZINC000590785285	mid	3.61	-11.78	0	260.337	1.025	1	3	2	O=C(CN1CCc2ccc(O)cc2CC1)N1CCC1
361823652	ZINC000614363074	ref	4.19	-19.07	0	320.389	1.515	1	4	2	C[C@@H]1C[C@]2(CCO1)CN(C(=O)Cc1ccc(=O)[nH]c1)C[C@@H](C)O2
361823659	ZINC000614363341	ref	6.11	-24.96	0	300.322	1.161	2	6	6	Cn1cc(C(=O)NCCCc2nnc[nH]2)c(-c2ccco2)n1
361823662	ZINC000614363341	mid	5.72	-22.88	0	300.322	1.161	2	6	6	Cn1cc(C(=O)NCCCc2nc[nH]n2)c(-c2ccco2)n1
361823667	ZINC000614362616	ref	4.62	-18.4	0	314.451	1.517	1	3	5	CC1=C[C@H](C)CN(C(=O)[C@H](NS(=O)(=O)C2CC2)C(C)C)C1
361823670	ZINC000035807644	ref	5.62	-47.62	1	273.336	2.055	1	5	4	Cc1nn(C)c(C)c1CNCc1cccc2c1OCO2
342081111	ZINC000625318006	mid	7.01	-38.17	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)n1
178305360	ZINC000237276246	ref	8.97	-53.82	-1	366.414	1.975	0	6	9	COCCN(CC(=O)[O-])C(=O)Cc1csc(Cc2ccc(F)cc2)n1
214188529	ZINC000293634984	low	3.26	-51.84	1	364.446	0.42	4	4	9	CC[C@H](C)[C@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCC[NH+]1CCOCC1
214188533	ZINC000293631411	ref	3.57	-16.03	0	359.39	0.833	1	8	3	CC1=C(C)CN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1
178305363	ZINC000237280662	ref	6.74	-40.1	1	363.527	1.995	1	4	5	COc1cccc([C@@H](C)N2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)c1
178305365	ZINC000237280662	low	8.69	-100.1	2	363.527	1.995	2	3	5	COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)c1
214188536	ZINC000293634844	ref	7.25	-20.02	0	359.43	0.766	1	7	6	COc1cccc(N2CCC[C@H](NC(=O)CCn3ncn(C)c3=O)C2)c1
214188539	ZINC000293630584	ref	3.6	-14.77	0	366.443	0.39	1	5	3	C[C@H]1CN(C(=O)C(=O)Nc2cccc(C3CC3)n2)CCN1S(C)(=O)=O
214188544	ZINC000293619252	ref	-0.43	-23.3	0	359.423	0.707	3	4	10	NC(=O)[C@@H](NC(=O)CCCCCCS(N)(=O)=O)c1ccc(F)cc1
214188548	ZINC000293630165	ref	0.88	-10.35	0	360.399	0.765	1	8	2	Cc1noc([C@@H]2CN(C(=O)C(=O)Nc3sccc3C#N)CCN2C)n1
178305367	ZINC000237280662	high	5.7	-10.29	0	363.527	1.995	1	5	5	COc1cccc([C@@H](C)N2CCN(C(=O)C[C@H]3CSCCN3)CC2)c1
178305369	ZINC000237280314	ref	5.67	-43.59	1	361.486	1.669	1	4	7	COc1cccc([C@@H](C)N2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)c1
178305372	ZINC000237280314	low	7.62	-102.54	2	361.486	1.669	2	3	7	COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[NH2+]C[C@H]3CCCO3)CC2)c1
178305374	ZINC000237280314	high	4.34	-10.81	0	361.486	1.669	1	5	7	COc1cccc([C@@H](C)N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)c1
214188552	ZINC000293618778	ref	8.53	-25.78	0	350.35	0.81	1	7	7	COC(=O)[C@H](NC(=O)COCc1nncn1C)c1ccc(F)c(C)c1
214188555	ZINC000293628461	ref	1.63	-18.27	0	369.443	0.929	1	7	8	COc1ccc(OC)c(CN(CCO)S(=O)(=O)c2cnn(C)c2C)c1
214188558	ZINC000293619759	ref	0.37	-14.21	0	356.429	0.098	2	6	4	CCNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2sccc2C#N)C1
214188561	ZINC000293630805	ref	2.26	-27.56	0	366.439	0.502	1	5	4	CS(=O)(=O)C1(C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CCOCC1
178305378	ZINC000237276553	ref	7.86	-62.86	-1	363.389	1.677	2	4	8	CC(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)CCCC(=O)[O-]
342597179	ZINC000590786593	ref	8.19	-93.33	2	283.46	1.953	3	1	7	CCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597180	ZINC000590786593	mid	8.18	-92.01	2	283.46	1.953	3	1	7	CCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342597181	ZINC000590786593	mid	6.06	-38.41	1	283.46	1.953	2	2	7	CCCNC(=O)[C@@H](C)N1CCC(C[N@H+](C)C(C)C)CC1
365620020	ZINC000625021162	ref	6.26	-13.46	0	310.438	2.261	1	3	7	COCCOC[C@H]1CCN(C(=O)NC[C@@H]2CCCC23CC3)C1
365620026	ZINC000625021495	ref	10.01	-16.93	0	324.428	2.384	1	4	4	CCc1nnc2n1C[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)CC2
365620033	ZINC000625021452	ref	7.89	-12.39	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@@H](C)C[C@H]1C
282123368	ZINC000248979189	mid	1.74	-44.25	1	322.405	1.087	4	4	7	CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1
365620038	ZINC000625023474	ref	2.78	-10.67	0	322.352	2.217	1	4	4	C[C@@H]1CN(CCNC(=O)c2csc(C(F)(F)F)c2)CCO1
365620043	ZINC000625023474	low	5.21	-48.96	1	322.352	2.217	2	3	4	C[C@@H]1C[N@H+](CCNC(=O)c2csc(C(F)(F)F)c2)CCO1
365620050	ZINC000625023474	low	5.17	-48.48	1	322.352	2.217	2	3	4	C[C@@H]1C[N@@H+](CCNC(=O)c2csc(C(F)(F)F)c2)CCO1
306234472	ZINC000557850959	low	7.98	-38.29	1	334.42	1.904	2	4	7	CCOC(=O)C1(CNC(=O)N[C@H](c2[nH+]ccn2C)C2CC2)CCC1
365620055	ZINC000625021539	ref	7.04	-12.44	0	316.409	2.251	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCC=C(C)C1
365620061	ZINC000625020152	ref	6.32	-9.33	0	301.452	2.396	0	3	6	CCO[C@H](CS(=O)(=O)N1CCC[C@H]2CCC[C@H]21)C1CC1
365620068	ZINC000625020259	ref	6.15	-14.79	0	307.438	2.124	2	2	4	CNC(=O)CC1CCN(C(=O)NC[C@H]2CCCC23CC3)CC1
365620074	ZINC000625020660	ref	5.97	-7.19	0	308.422	2.156	1	3	3	O=C(NC[C@@H]1CCCC12CC2)N1CCO[C@H]([C@H]2CCCO2)C1
365620082	ZINC000625022155	ref	3.58	-11.12	0	321.483	2.316	1	4	9	CCOC1(CS(=O)(=O)N[C@H](C)C[C@@H](C)CC)CCOCC1
365620087	ZINC000625022367	ref	5.89	-19.38	0	314.307	2.364	1	2	2	CNC(=O)[C@@H]1CCCN1C(=O)c1ccc(C)c(C(F)(F)F)c1
349535466	ZINC000618816269	ref	6.56	-19.73	0	252.362	1.99	0	4	7	CC(C)CCCCC(=O)N(C)Cc1cn(C)nn1
214188545	ZINC000053577641	high	3.93	-13.43	0	340.387	2.176	0	8	6	c1cc(Oc2ccc3nnnn3n2)ccc1OCCN1CCCCC1
349535468	ZINC000618814601	ref	5.99	-21.62	0	291.38	1.594	0	6	5	CCSc1cccnc1C(=O)N(C)Cc1cn(C)nn1
214188547	ZINC000053569695	ref	7.87	-46.44	1	348.491	2.131	1	4	3	Cc1c(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cnn1C(C)(C)C
210256832	ZINC000428355142	ref	1.34	-21.86	0	334.405	0.571	3	6	7	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)CSCC(N)=O)n2)c1
210256837	ZINC000428327469	ref	2.11	-43.86	-1	349.4	0.625	0	4	5	CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)[N-]CC(F)(F)F
214188550	ZINC000053569695	mid	5.79	-10.09	0	348.491	2.131	0	5	3	Cc1c(C(=O)N2CCC(CN3CCOCC3)CC2)cnn1C(C)(C)C
214188553	ZINC000053574180	ref	9.01	-9.73	0	332.419	2.936	0	2	2	CC1CCN(C(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
398245902	ZINC000650859058	ref	4.81	-7.83	0	270.373	1.622	1	3	6	CC[C@H]1CN(C(=O)NCCOCC2CC2)[C@H](C)CO1
432002756	ZINC000061914726	mid	7.04	-42.07	1	309.479	3.202	3	2	7	C[N@@H+](CCCNC(=O)NCc1ccsc1)C1CCCCC1
432002761	ZINC000062105822	ref	8.65	-9.01	0	319.445	3.464	0	3	7	CCOC[C@H]1CCCN(C(=O)C[C@H](C)c2ccc(OC)cc2)C1
282123369	ZINC000332183594	high	2.52	-10.16	0	270.373	0.327	1	4	5	CN(C)C[C@@H]1CN(C(=O)C[C@](C)(O)C2CC2)CCO1
282123377	ZINC000182168821	ref	5.07	-39.92	1	299.415	0.918	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CCO1
342597182	ZINC000590786593	mid	6.09	-37.28	1	283.46	1.953	2	2	7	CCCNC(=O)[C@@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1
210256841	ZINC000428327469	low	2.48	-16.85	0	349.4	0.625	1	4	5	CC(C)N(C)C(=O)[C@@H]1CSCN1S(=O)(=O)NCC(F)(F)F
214188562	ZINC000053572097	ref	2.99	-10.4	0	329.466	2.387	2	5	11	CCC(CC)NS(=O)(=O)c1ccc(NCCCCOC)nc1
210256845	ZINC000428361272	ref	1.24	-15.13	0	335.47	0.771	2	4	6	CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@@H](OC)C(C)(C)C
185089518	ZINC000096078553	ref	3.47	-14.47	0	295.335	1.316	0	5	4	CCOC[C@H]1C[C@@]2(COCCN2C(=O)c2ccoc2)CO1
185089519	ZINC000096079242	ref	9.62	-11.23	0	294.398	3.696	1	1	1	C[C@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21
295666446	ZINC000412987111	ref	8.43	-9.52	0	308.382	2.832	0	6	6	CC(C)Cn1nnnc1S[C@H](C)C(=O)c1cccc(F)c1
295666447	ZINC000412986211	ref	9.28	-14.59	0	307.302	2.518	0	6	4	COC(=O)c1ccc(O[C@H]2CCC(C)(C)C2=O)c([N+](=O)[O-])c1
342597183	ZINC000590786870	ref	6.77	-104.96	2	290.473	1.473	2	2	7	CC(C)[N@H+](C)CC1CC[NH+](CCCS(C)(=O)=O)CC1
168364957	ZINC000336644788	ref	7.54	-40.64	1	201.379	2.764	1	1	5	CCC(CC)C[NH2+][C@H]1CSC[C@H]1C
342597184	ZINC000590786870	mid	6.76	-103.76	2	290.473	1.473	2	2	7	CC(C)[N@@H+](C)CC1CC[NH+](CCCS(C)(=O)=O)CC1
342597185	ZINC000590786870	mid	4.41	-42.59	1	290.473	1.473	1	3	7	CC(C)[N@H+](C)CC1CCN(CCCS(C)(=O)=O)CC1
342597186	ZINC000590786870	mid	4.4	-41.69	1	290.473	1.473	1	3	7	CC(C)[N@@H+](C)CC1CCN(CCCS(C)(=O)=O)CC1
342597187	ZINC000590785788	ref	3.99	-20.33	0	297.358	1.049	1	4	3	Cn1ccc(CN2C[C@H](C(N)=O)Cc3ccccc32)cc1=O
342597188	ZINC000590787563	ref	7.58	-36.27	1	276.384	1.253	1	3	5	CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]1C1CC1
342597189	ZINC000590787563	mid	8.07	-36.7	1	276.384	1.253	1	3	5	CN(Cc1cnn(C)c1)C(=O)C[N@H+]1CCC[C@@H]1C1CC1
210256863	ZINC000428347506	ref	3.82	-18.37	0	332.36	0.288	1	7	4	COc1cc(OC)c2ncnc(N3CCN(C(=O)CO)CC3)c2c1
210256870	ZINC000428329562	ref	0.02	-22.55	0	330.41	0.583	3	5	8	CC1(CNC(=O)NCCNS(=O)(=O)Cc2ccon2)CCC1
210256875	ZINC000428357790	ref	1.57	-72.89	1	328.365	0.362	1	4	4	CC(=O)c1ccc(S(=O)(=O)CC(=O)N2CC[C@@H]([NH3+])C2)cc1F
210256878	ZINC000428341957	ref	4.55	-17.86	0	349.435	0.313	1	5	4	CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1
214188551	ZINC000337632284	ref	9.13	-18.79	0	288.391	2.215	1	2	5	CC[C@@H]1C[C@@]1(NC(=O)CC(=O)N(C)C)c1cccc(C)c1
214188554	ZINC000337629791	ref	7.55	-11.32	0	285.391	2.34	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CC[C@H]2CCC[C@@H]21
214188556	ZINC000337630334	ref	6.19	-13.4	0	287.363	2.443	2	3	2	Cn1c(=O)[nH]c2ccc(C(=O)NC3C(C)(C)C3(C)C)cc21
214188557	ZINC000337628535	ref	6.68	-19.05	0	278.258	2.425	1	3	4	O=C(Cn1ccccc1=O)Nc1cccc(C(F)F)c1
365620036	ZINC000576529890	ref	-1.67	-6.94	0	201.266	0.058	3	3	6	C=CC[C@H](CO)NC(=O)C(C)(C)CO
259308619	ZINC000526042976	ref	6.99	-8.29	0	249.264	2.925	1	3	4	Fc1ccccc1-n1cc(NCC2(F)CC2)cn1
342597190	ZINC000590787563	high	5.23	-13.17	0	276.384	1.253	0	4	5	CN(Cc1cnn(C)c1)C(=O)CN1CCC[C@@H]1C1CC1
412491617	ZINC000565071595	ref	2.84	-10.53	0	310.358	-0.697	2	8	6	COC[C@H](C)CNC(=O)c1nc(N)nc(N2CCOCC2)n1
214188560	ZINC000337631197	ref	4.31	-11.25	0	283.412	2.201	1	3	5	CCCC[C@H](C)C(=O)N1CCC[C@@H]1[C@@H]1COCC[C@@H]1O
297220757	ZINC000337858715	mid	2.72	-42.42	1	345.463	0.033	4	3	9	CC[NH+]1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)NCCF)CC1
210256779	ZINC000428363480	ref	4.34	-14.3	0	346.387	0.676	1	7	4	COc1cc(OC)c2ncnc(N3CCN(C(=O)[C@H](C)O)CC3)c2c1
230233746	ZINC000331134070	ref	7.61	-27.21	0	268.233	-1.165	0	7	4	CCN1CN(C(=O)Cn2cnc([N+](=O)[O-])n2)CC1=O
297220759	ZINC000337858715	high	0.35	-11.29	0	345.463	0.033	3	4	9	CCN1CCN(C[C@@H](C)CNC(=O)N[C@@H](C)C(=O)NCCF)CC1
297220881	ZINC000077616442	ref	7.29	-40.95	-1	278.308	2.561	0	4	2	C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])c([O-])c2)[C@H](C)C1
214188563	ZINC000337630130	ref	8.44	-37.72	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12
214188564	ZINC000337630130	mid	8.11	-39.83	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@@H]1CC[N@H+]2CCCC[C@@H]12
214188566	ZINC000337628392	ref	7.13	-40.48	1	252.333	2.201	2	1	5	CC(C)[C@H](NC(=O)C[NH+](C)C)c1ccc(F)cc1
214188568	ZINC000337628392	mid	4.64	-7.16	0	252.333	2.201	1	2	5	CC(C)[C@H](NC(=O)CN(C)C)c1ccc(F)cc1
365620037	ZINC000641588920	ref	5.81	-14.38	0	282.343	1.899	1	3	2	Cn1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1-c1ccccc1
178304691	ZINC000237260853	ref	6.66	-59.87	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1
178304693	ZINC000237244896	ref	5.11	-52.1	1	355.385	1.755	2	3	7	C[NH2+]C[C@@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O
214188570	ZINC000337632396	ref	5.28	-15.74	0	296.326	3.327	1	4	4	COc1ccc2occ(C(=O)N[C@H](C)c3cccnc3)c2c1
282123694	ZINC000449156787	mid	5.36	-38.59	1	292.423	2.301	1	3	6	C[C@@H](Cc1ccoc1)[NH2+]C1CCN(C[C@H]2CCOC2)CC1
214188576	ZINC000337632418	ref	4.45	-46.21	1	299.415	0.654	3	3	7	CCN(CCOCCO)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12
214188579	ZINC000337632418	mid	4.47	-41.99	1	299.415	0.654	3	3	7	CCN(CCOCCO)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12
214188580	ZINC000337629592	ref	6.64	-42.36	1	299.374	2.452	3	2	6	O=C(NCC[NH+]1CCC1)NCc1ccc(-c2ccccc2)o1
214188584	ZINC000337629592	mid	3.45	-10.52	0	299.374	2.452	2	3	6	O=C(NCCN1CCC1)NCc1ccc(-c2ccccc2)o1
214188588	ZINC000337631637	ref	3.95	-18.55	0	298.346	2.065	3	3	5	CCc1cccnc1NC(=O)c1ccc(CNC(N)=O)cc1
214188591	ZINC000337628355	ref	4.12	-4.73	0	251.374	3.205	0	4	4	CCC1(C)CCN(Cc2noc(C(C)C)n2)CC1
214188595	ZINC000337628355	low	6.59	-32.57	1	251.374	3.205	1	3	4	CCC1(C)CC[NH+](Cc2noc(C(C)C)n2)CC1
214188599	ZINC000337629181	ref	5.42	-9.31	0	279.262	2.43	2	3	5	COCCC(C)(C)C(=O)Nc1nc(C(F)(F)F)c[nH]1
214188602	ZINC000337629181	mid	5.34	-8.57	0	279.262	2.43	2	3	5	COCCC(C)(C)C(=O)Nc1ncc(C(F)(F)F)[nH]1
214188605	ZINC000337629837	ref	5.62	-8.84	0	287.197	2.476	2	4	3	CC(=O)c1ccc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)o1
214188607	ZINC000337629837	mid	5.55	-7.13	0	287.197	2.476	2	4	3	CC(=O)c1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)o1
214188611	ZINC000337629598	ref	0.88	-42.88	-1	275.264	0.549	1	5	3	O=C(N[C@@H]1CCOC1)c1ccc(-c2nc(=O)o[n-]2)cc1
219048326	ZINC000097696221	ref	-0.96	-16.57	0	333.319	-0.01	3	5	3	O=C1NCCN(C(=O)c2cnc3ccc(F)cc3c2O)[C@@H]1CCO
219048328	ZINC000097696221	high	-0.23	-33.67	-1	333.319	-0.01	2	4	3	O=C1NCCN(C(=O)c2c[n-]c3ccc(F)cc3c2=O)[C@@H]1CCO
343994215	ZINC000599272678	ref	7.1	-14.77	0	274.368	1.808	1	4	4	Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](C#N)CC(C)C)CC2
219048332	ZINC000097696156	ref	6.91	-20.51	0	339.395	1.051	1	4	4	CCn1ccc(C(=O)N2CCNC(=O)[C@@H]2Cc2ccccc2)cc1=O
219048334	ZINC000097695549	ref	4.64	-12.24	0	334.807	3.018	3	3	6	CCCNC(=O)c1ccc(NC(=O)c2cc(CC)[nH]n2)cc1Cl
178304695	ZINC000237259738	ref	5.0	-48.17	1	351.472	1.08	1	3	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1
219048338	ZINC000097694960	ref	10.31	-17.43	0	334.383	1.455	1	6	5	O=C(NCCN1CCc2ccccc21)c1ccc(-n2cnnc2)nc1
219048340	ZINC000097696286	ref	10.11	-8.96	0	335.451	3.809	1	2	3	CC(C)Cc1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)[nH]n1
219048342	ZINC000097696286	mid	10.19	-9.38	0	335.451	3.809	1	2	3	CC(C)Cc1cc(C(=O)N2CCC3(C=Cc4ccccc43)CC2)n[nH]1
219048344	ZINC000097695055	ref	5.47	-10.31	0	326.356	2.391	1	6	4	Cc1nc(C2(NC(=O)C3=NO[C@@H](c4ccccc4)C3)CCC2)no1
219048347	ZINC000097694657	ref	1.1	-23.16	0	334.332	-0.448	2	5	2	O=C1CC[C@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)NC(=O)N1
219048349	ZINC000097694913	ref	7.8	-15.15	0	327.388	1.878	1	6	4	O=C(NCc1ccon1)C12C[C@@H]3C[C@H](C1)CC(n1cncn1)(C3)C2
187169749	ZINC000125092731	ref	4.17	-18.45	0	290.323	1.003	1	4	5	Cc1ccc(NC(=O)CCCN2C(=O)CN(C)C2=O)cn1
178304696	ZINC000237255135	ref	4.3	-52.87	1	362.451	1.835	2	4	9	COCC[NH2+]CC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1
178304698	ZINC000237255135	mid	2.96	-17.98	0	362.451	1.835	2	5	9	COCCNCC(=O)Nc1cccc(CS(=O)(=O)c2ccccc2)c1
214188565	ZINC000053581641	ref	8.71	-13.36	0	328.763	1.718	0	7	2	Cn1ncc2c(=O)n(Cc3nc4cc(Cl)ccc4n3C)cnc21
342081112	ZINC000625318006	high	5.75	-11.77	0	296.802	1.772	0	4	2	CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1nn(C)cc1Cl
342081113	ZINC000625319068	ref	2.21	-9.46	0	269.341	1.752	1	5	8	COC[C@@H](NCCOC1CCOCC1)c1ccco1
342081114	ZINC000625319068	mid	3.55	-39.95	1	269.341	1.752	1	4	8	COC[C@@H]([NH2+]CCOC1CCOCC1)c1ccco1
219048337	ZINC000350684522	ref	3.04	-21.2	0	269.304	2.437	2	3	4	Cc1nc2c(C(=O)NCCc3ccc[nH]3)cccc2o1
185089523	ZINC000096076114	ref	2.96	-12.49	0	284.367	1.065	0	6	3	Cn1cc(CN2CC[C@]23CCN(c2cnccn2)C3)cn1
185089524	ZINC000096076114	mid	6.04	-46.29	1	284.367	1.065	1	5	3	Cn1cc(C[N@@H+]2CC[C@]23CCN(c2cnccn2)C3)cn1
185089525	ZINC000096076114	mid	6.1	-43.0	1	284.367	1.065	1	5	3	Cn1cc(C[N@H+]2CC[C@]23CCN(c2cnccn2)C3)cn1
219048339	ZINC000350685053	ref	1.57	-14.15	0	270.292	2.35	2	4	3	Cc1nc2ccc(C(=O)N[C@H](C)c3cn[nH]c3)cc2o1
214188567	ZINC000293632978	ref	1.89	-11.89	0	364.398	0.979	3	6	7	COCc1cc(NC(=O)C(=O)NCCC2(O)CCC2)cc(C(=O)OC)c1
214188572	ZINC000293620621	ref	-0.19	-18.57	0	354.354	0.761	2	5	4	Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C(N)=O)c(C(F)(F)F)n1
219048341	ZINC000350685386	ref	0.03	-15.87	0	261.285	-0.018	2	6	4	Cc1ccnc(C(=O)N[C@@H](CO)c2cnn(C)c2)n1
219048343	ZINC000350685088	ref	0.42	-49.65	1	283.372	-0.526	4	3	4	CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CNC(=O)C2)CC1
219048345	ZINC000350685555	ref	6.19	-10.73	0	285.29	2.285	1	3	6	COc1ccccc1C(=O)CNC(=O)C(C)(C)C(F)F
219048346	ZINC000350686842	ref	6.34	-8.33	0	291.391	2.432	2	3	6	CC(C)(O)CC(=O)N[C@H](C[C@H]1CCOC1)c1ccccc1
219048348	ZINC000350694793	ref	0.83	-12.48	0	261.285	-0.016	2	5	4	CC(C)NC(=O)CNC(=O)c1cnn2ccncc12
219048350	ZINC000350684653	ref	6.74	-6.73	0	255.402	3.278	1	2	8	CC[C@H](C)CCC(=O)NCCOC1CCCCC1
342597191	ZINC000616976775	ref	5.02	-8.25	0	250.346	1.557	1	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2n[nH]nc2C1
342597192	ZINC000616976775	mid	5.09	-11.18	0	250.346	1.557	1	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2[nH]nnc2C1
342597193	ZINC000616976775	mid	5.09	-10.94	0	250.346	1.557	1	3	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2nn[nH]c2C1
199273132	ZINC000294962868	mid	1.4	-8.89	0	264.289	0.786	2	7	6	CCc1nc(CNc2nc(OC)cc(OC)n2)n[nH]1
398245905	ZINC000650859481	ref	5.79	-39.94	1	283.416	1.443	3	2	7	C[C@@H](COCC1CC1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1
398245907	ZINC000650859481	mid	5.36	-40.54	1	283.416	1.443	3	2	7	C[C@@H](COCC1CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1
219048352	ZINC000350684612	ref	6.91	-7.04	0	276.767	3.29	1	3	3	CO[C@@H]1CC[C@@H](Nc2ccc3ccc(Cl)cc3n2)C1
199273139	ZINC000294962668	ref	4.26	-41.71	1	261.369	1.828	2	2	5	[NH3+]CC[C@@H]1CCCCN1C(=O)CNc1ccccc1
219048353	ZINC000350684299	ref	4.83	-7.89	0	255.321	2.103	1	4	2	C[C@H]1C[C@@H](O)CN1c1cncc(-c2ccccc2)n1
365620039	ZINC000623043175	ref	5.06	-13.88	0	319.405	1.676	0	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)C[C@@H]1CCC(=O)N1C
282123370	ZINC000151683699	high	3.7	-7.44	0	303.406	2.212	2	3	3	CCN1CCC(NC(=O)N[C@@H]2COc3ccc(C)cc32)CC1
342081115	ZINC000625327051	ref	2.54	-12.58	0	261.387	1.687	1	3	7	C=CC(C)(C)CCNS(=O)(=O)C[C@@H]1CCCO1
365620049	ZINC000623042974	ref	5.3	-20.0	0	309.435	1.976	2	3	7	CCCC[C@@H](NC(N)=O)C(=O)N1CC(Cc2ccsc2)C1
365620059	ZINC000623043088	ref	4.06	-15.54	0	304.39	1.196	2	3	4	CC(=O)N1CC[C@@H](NC(=O)[C@@H](O)[C@@H](C)c2ccc(C)cc2)C1
365620067	ZINC000623042856	ref	6.94	-16.9	0	322.455	1.814	0	4	3	O=C1CC[C@@]2(C(=O)N3CC(Cc4ccsc4)C3)SCCN12
178304700	ZINC000237249216	ref	2.36	-82.22	0	354.457	1.882	2	5	8	C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1
282123378	ZINC000151684162	ref	7.79	-6.45	0	306.41	2.269	1	4	4	CCCn1nccc1NC(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1C
342081116	ZINC000625318699	ref	3.02	-37.03	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)co1
299072317	ZINC000358088142	mid	8.69	-90.19	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1C
178304701	ZINC000237249216	low	2.68	-51.52	1	354.457	1.882	3	5	8	C[NH2+]CCCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1
365620076	ZINC000623044849	ref	1.88	-15.66	0	317.336	1.305	3	3	6	O=C(CC[C@H]1NC(=O)NC1=O)N[C@@H](C(F)F)C1CCCCC1
178304702	ZINC000237259214	ref	6.0	-58.83	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])C1CC1
178304705	ZINC000237263852	ref	3.7	-50.64	1	350.444	1.307	2	6	7	COCC[NH2+]CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
342081117	ZINC000625318699	mid	3.79	-36.59	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)co1
178304706	ZINC000237263852	mid	2.36	-14.6	0	350.444	1.307	2	7	7	COCCNCC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1
178304708	ZINC000237256670	ref	4.14	-55.14	1	373.457	1.719	2	6	8	COc1cccc(OCCCNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1
178304710	ZINC000237258595	ref	2.0	-54.93	1	352.416	1.214	3	6	9	COCC[NH2+]CC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
178304711	ZINC000237258595	mid	0.67	-14.56	0	352.416	1.214	3	7	9	COCCNCC(=O)Nc1nc(-c2ccc(CNC(C)=O)o2)cs1
343994219	ZINC000599272678	low	7.54	-38.59	1	274.368	1.808	1	3	4	Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@@H](C#N)CC(C)C)CC2
365620045	ZINC000641589189	ref	3.25	-5.75	0	252.289	1.607	0	4	1	Fc1cnccc1N1CCO[C@@]2(CCCOC2)C1
365620048	ZINC000641589189	low	3.72	-40.47	1	252.289	1.607	0	3	1	Fc1c[nH+]ccc1N1CCO[C@@]2(CCCOC2)C1
365620052	ZINC000641589010	ref	5.5	-14.55	0	275.348	1.493	1	3	4	Cc1ccccc1CO[C@H](C)C(=O)N1C[C@@H]2C[C@]2(O)C1
365620060	ZINC000641589133	ref	4.43	-14.57	0	270.332	1.612	2	2	2	Cc1cccc2[nH]cc(CC(=O)N3C[C@@H]4C[C@]4(O)C3)c12
342597194	ZINC000590785812	ref	4.33	-16.42	0	297.358	1.012	1	4	4	NC(=O)[C@@H]1Cc2ccccc2N(CCn2ccccc2=O)C1
178305521	ZINC000019867819	ref	10.71	-10.39	0	247.301	3.514	0	3	1	Cc1cc2ncn(-c3ccc(C#N)cc3)c2cc1C
365620064	ZINC000641589126	ref	5.52	-37.06	1	274.364	1.273	2	2	4	CC[N@H+](C)[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccccc1
342597195	ZINC000590786502	ref	6.28	-46.16	1	292.431	1.56	1	5	6	CC(C)[N@H+](C)CC1CCN(Cc2nnnn2C2CC2)CC1
192038039	ZINC000418462828	ref	2.09	-51.88	1	243.351	0.648	2	2	4	CC(C)[C@H]1CN(C(=O)NC[C@H](C)C[NH3+])CCO1
342597196	ZINC000590786502	mid	6.26	-45.5	1	292.431	1.56	1	5	6	CC(C)[N@@H+](C)CC1CCN(Cc2nnnn2C2CC2)CC1
197595270	ZINC000290097886	ref	0.17	-8.82	0	283.397	1.249	1	5	3	C[C@H](O)c1ncc(CN2CCN(C)C(=O)C2(C)C)s1
219048351	ZINC000097695490	ref	8.8	-15.57	0	331.334	2.773	0	3	7	O=C(COCC(F)(F)F)N(Cc1ccccc1)C[C@H]1CCCO1
342597197	ZINC000590786502	low	8.64	-112.6	2	292.431	1.56	2	4	6	CC(C)[N@H+](C)CC1CC[NH+](Cc2nnnn2C2CC2)CC1
342597198	ZINC000590786502	low	8.63	-111.82	2	292.431	1.56	2	4	6	CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnnn2C2CC2)CC1
219048354	ZINC000097695028	ref	8.97	-13.73	0	346.387	2.281	0	6	9	COc1ccc(CCCN(C)C(=O)CCn2cc([N+](=O)[O-])cn2)cc1
219048355	ZINC000097695663	ref	6.34	-11.85	0	342.443	3.126	3	3	5	Cc1n[nH]c(C)c1CCC(=O)Nc1ccccc1C(=O)NC(C)(C)C
342597199	ZINC000590785121	ref	5.67	-9.95	0	271.32	1.674	1	3	1	Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(C)(C)C2)c1
343994220	ZINC000139314655	ref	7.63	-4.71	0	192.258	2.347	0	2	3	COC(=O)[C@@H](C)Cc1ccccc1C
365620070	ZINC000641589126	mid	5.51	-36.85	1	274.364	1.273	2	2	4	CC[N@@H+](C)[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccccc1
365620075	ZINC000641589126	mid	2.99	-8.75	0	274.364	1.273	1	3	4	CCN(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccccc1
365620080	ZINC000479692164	ref	2.59	-13.32	0	285.388	1.099	2	3	7	C[C@H]1CCCC[C@@H]1OCCNC(=O)N(C)CCC(N)=O
342597200	ZINC000616980448	ref	4.67	-18.49	0	278.418	1.305	0	3	8	CC[C@@H](C)N(CC)C(=O)CS(=O)(=O)N(CC)CC
178304712	ZINC000237247695	ref	3.82	-52.94	1	357.451	1.176	1	3	7	CN(CCCC(=O)N1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1
365620046	ZINC000576530562	ref	-0.14	-10.73	0	239.275	0.58	3	3	3	Cc1[nH]c(=O)[nH]c1C(=O)NC[C@]1(C)CCOC1
178304714	ZINC000237250297	ref	3.48	-61.66	1	371.478	1.47	2	3	8	CN(CCCC(=O)N[C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1
178304716	ZINC000237259381	ref	5.01	-59.46	1	353.85	1.664	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@H](C)C[NH3+]
219048356	ZINC000350695061	ref	4.84	-17.19	0	299.374	2.462	3	3	5	Cc1ccnc(NC(=O)NC[C@@](C)(CO)c2ccccc2)c1
398245908	ZINC000651440879	ref	7.5	-8.18	0	281.783	3.081	0	2	4	COC[C@H]1CCCN1C(=O)[C@H](C)c1ccc(Cl)cc1
398245911	ZINC000651431387	ref	3.18	-7.64	0	276.405	3.141	1	4	3	C[C@@H](CO)C1CCN(c2ccnc3ccsc23)CC1
365620054	ZINC000343677180	ref	6.47	-39.97	1	242.388	1.504	2	2	6	C=CC[C@@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1
178304717	ZINC000237245968	ref	5.0	-54.24	1	359.401	1.93	3	3	9	COCC[NH2+]CC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1
178304719	ZINC000237245968	mid	3.66	-18.11	0	359.401	1.93	3	4	9	COCCNCC(=O)Nc1ccc(C(=O)NCc2ccccc2F)cc1
178304721	ZINC000237249487	ref	3.47	-60.74	1	357.451	1.08	2	3	9	CN(CCCC(=O)NC[C@H]([NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1
178304722	ZINC000237264679	ref	5.56	-40.85	1	359.47	1.553	2	3	6	COCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
178304726	ZINC000237259692	ref	6.01	-58.03	1	365.861	1.807	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C[NH3+])C1CC1
178304727	ZINC000237245740	ref	8.04	-62.4	-1	357.41	1.862	0	6	5	CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cn3nc(C)cc3C)c2)C1
178304730	ZINC000237258314	ref	6.22	-62.03	1	365.861	1.903	1	3	3	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)N1CCC([NH3+])CC1
178304731	ZINC000237264324	ref	6.55	-51.22	1	367.877	1.879	1	3	6	C[NH2+]CCN(C)C(=O)C1CCN(C(=O)c2cc(Cl)ccc2OC)CC1
178304733	ZINC000237251894	ref	4.45	-49.38	1	369.487	1.444	1	4	5	C[NH2+]C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1
178304734	ZINC000237259171	ref	5.01	-60.45	1	353.85	1.664	2	3	6	COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH3+]
342081118	ZINC000625318699	high	0.59	-9.19	0	279.34	1.382	0	5	3	COc1nc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)co1
342081119	ZINC000625318219	ref	4.56	-45.31	1	265.386	1.863	1	5	6	CC[C@H]([NH2+]CCc1cn(C)nn1)c1nc(C)cs1
342597201	ZINC000616976740	ref	1.49	-13.93	0	299.396	1.298	1	4	5	CC[C@H](C)N(CC)C(=O)c1cc(S(N)(=O)=O)cnc1C
297220777	ZINC000443374883	ref	3.87	-10.32	0	302.321	2.908	2	3	6	CO[C@H](C)CNC(=O)Nc1cc(F)c(OC(C)C)c(F)c1
342597202	ZINC000616976854	ref	1.88	-11.82	0	288.369	1.496	1	4	5	CC[C@H](C)N(CC)C(=O)c1oc(S(N)(=O)=O)cc1C
342597203	ZINC000590785320	ref	5.05	-41.58	1	276.38	1.707	3	2	2	CC(C)(C)NC(=O)C[N@@H+]1CCc2ccc(O)cc2CC1
197595277	ZINC000162839535	ref	5.52	-45.3	1	321.377	1.849	2	4	5	COC1(C(=O)N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1
342597204	ZINC000590785320	mid	5.05	-42.47	1	276.38	1.707	3	2	2	CC(C)(C)NC(=O)C[N@H+]1CCc2ccc(O)cc2CC1
342597205	ZINC000590785320	mid	3.3	-9.3	0	276.38	1.707	2	3	2	CC(C)(C)NC(=O)CN1CCc2ccc(O)cc2CC1
342597206	ZINC000590785776	ref	1.5	-12.15	0	286.335	1.296	1	5	4	CCc1noc(CN2C[C@@H](C(N)=O)Cc3ccccc32)n1
398245909	ZINC000650859481	high	3.41	-6.82	0	283.416	1.443	2	3	7	C[C@@H](COCC1CC1)NC(=O)NC[C@@H]1CCCN(C)C1
219048357	ZINC000097695930	ref	8.26	-43.6	-1	335.4	2.724	0	5	6	COc1cccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2CC(C)C)c1OC
219048359	ZINC000097695476	ref	10.39	-10.6	0	337.419	3.386	0	3	6	Cc1ccc(C(=O)C(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)cc1
342597207	ZINC000590786592	ref	8.09	-92.24	2	283.46	1.953	3	1	7	CCCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597208	ZINC000590786592	mid	8.07	-90.07	2	283.46	1.953	3	1	7	CCCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
197595289	ZINC000162844285	ref	8.68	-10.99	0	311.429	3.269	1	3	6	Cc1c(/C=C/C(=O)NC(C)(C)CCc2ccccc2)cnn1C
342597209	ZINC000590786592	mid	5.72	-33.27	1	283.46	1.953	2	2	7	CCCNC(=O)[C@H](C)N1CCC(C[N@H+](C)C(C)C)CC1
342597210	ZINC000590786592	mid	5.72	-33.57	1	283.46	1.953	2	2	7	CCCNC(=O)[C@H](C)N1CCC(C[N@@H+](C)C(C)C)CC1
222608807	ZINC000283735033	ref	5.4	-36.69	1	303.366	1.465	3	4	7	COCCn1cc(CNC(=[NH2+])Nc2ccc(OC)cc2)cn1
342597211	ZINC000590787315	ref	4.96	-37.76	1	266.389	1.93	1	4	5	Cc1noc(CN2CCC(C[N@@H+](C)C(C)C)CC2)n1
342597212	ZINC000590787315	mid	4.93	-36.4	1	266.389	1.93	1	4	5	Cc1noc(CN2CCC(C[N@H+](C)C(C)C)CC2)n1
197595296	ZINC000162846572	ref	5.87	-16.73	0	314.389	1.947	2	4	6	O=C(CC1CCOCC1)NCCc1nc(-c2ccccc2)n[nH]1
197595298	ZINC000162846572	mid	6.18	-19.29	0	314.389	1.947	2	4	6	O=C(CC1CCOCC1)NCCc1nnc(-c2ccccc2)[nH]1
349535469	ZINC000618814800	ref	7.31	-24.65	0	288.351	1.415	0	5	6	CCc1ccccc1OCC(=O)N(C)Cc1cn(C)nn1
197595281	ZINC000290097723	ref	7.47	-12.45	0	275.352	2.602	1	3	4	CN(C[C@H]1CCCO1)C(=O)Nc1cc(C2CC2)ccn1
219048358	ZINC000350683884	ref	4.35	-6.32	0	283.759	2.224	2	3	5	CC[C@@H](C)[C@H](NC(C)=O)C(=O)Nc1ccc(Cl)cn1
214188575	ZINC000293620621	mid	-0.43	-53.38	-1	354.354	0.761	1	5	4	Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C(N)=O)c(C(F)(F)F)n1
214188577	ZINC000293629170	ref	1.7	-12.57	0	374.441	0.818	4	4	5	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O
342081120	ZINC000625318219	high	3.2	-11.34	0	265.386	1.863	1	6	6	CC[C@H](NCCc1cn(C)nn1)c1nc(C)cs1
197595287	ZINC000290098934	ref	11.65	-12.73	0	270.38	2.909	0	4	4	Cc1ccc(CN(c2nnc(C)n2C)C2CC2)cc1C
197595290	ZINC000290099956	ref	4.9	-51.29	1	276.384	1.389	2	2	1	CC(C)(C)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[nH]n1
214188581	ZINC000293632052	ref	10.95	-53.36	1	357.462	0.81	2	6	3	Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1
214188586	ZINC000293632052	mid	10.94	-53.15	1	357.462	0.81	2	6	3	Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1
214188589	ZINC000293632052	high	8.31	-17.53	0	357.462	0.81	1	7	3	Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@]2(CCN(C)C2)C1
282123371	ZINC000248977071	ref	3.24	-38.07	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1
342081121	ZINC000625327030	ref	3.78	-33.97	1	254.374	1.435	2	2	7	CCO[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)C1CC1
342081122	ZINC000625318743	ref	3.16	-14.31	0	271.386	1.904	2	3	5	CC1(C)CCC[C@@H]1CCNS(=O)(=O)c1c[nH]cn1
342081123	ZINC000625318743	high	2.8	-52.36	-1	271.386	1.904	1	3	5	CC1(C)CCC[C@@H]1CC[N-]S(=O)(=O)c1c[nH]cn1
342081124	ZINC000625317995	ref	7.96	-34.85	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)n1
342081125	ZINC000625317995	mid	6.75	-39.2	1	296.802	1.772	1	3	2	Cn1cc(Cl)c(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)n1
342081126	ZINC000625317995	high	5.01	-10.34	0	296.802	1.772	0	4	2	CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1nn(C)cc1Cl
342081127	ZINC000625318989	ref	4.76	-47.8	1	284.363	1.945	1	4	5	COc1cncc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)n1
342081128	ZINC000625318989	mid	5.1	-47.73	1	284.363	1.945	1	4	5	COc1cncc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)n1
342081129	ZINC000625318989	mid	2.56	-7.79	0	284.363	1.945	0	5	5	COc1cncc(CN2CC[C@H](Cc3ccncc3)C2)n1
282123373	ZINC000248977071	mid	2.61	-34.83	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@H+]2CC[C@@H](C)[C@H]2CO)c1
185089529	ZINC000096075210	ref	8.56	-41.58	1	292.448	2.768	1	2	3	CC[N@@H+]1CCCC12CCN(C(=O)Cc1ccsc1)CC2
185089530	ZINC000096075210	mid	8.56	-41.18	1	292.448	2.768	1	2	3	CC[N@H+]1CCCC12CCN(C(=O)Cc1ccsc1)CC2
307041900	ZINC000364137433	mid	5.35	-9.7	0	310.398	1.33	1	6	7	CCCc1n[nH]c([C@@H]2CN(CC(=O)OCC(C)C)CCO2)n1
178304718	ZINC000042410081	low	9.06	-101.31	2	231.343	2.651	1	1	4	Cc1cc2[nH+]cn(CC[NH2+]C(C)C)c2cc1C
398245912	ZINC000650859404	ref	5.16	-16.36	0	281.4	1.734	2	2	5	CCN1C[C@@H](CNC(=O)NCC2(C)CCCC2)CC1=O
178304723	ZINC000037491145	ref	6.89	-9.9	0	244.338	3.129	1	3	1	Cc1cc2ncn([C@@H]3CCCC[C@H]3O)c2cc1C
178304724	ZINC000037491145	low	7.37	-30.2	1	244.338	3.129	1	2	1	Cc1cc2[nH+]cn([C@@H]3CCCC[C@H]3O)c2cc1C
398245916	ZINC000650858639	ref	3.49	-10.43	0	284.4	1.463	2	3	7	C[C@H](CO)C1CCN(C(=O)NCCOCC2CC2)CC1
178304728	ZINC000191990999	ref	6.8	-9.22	0	232.283	2.026	0	4	2	Cc1cc2ncn(CC3OCCO3)c2cc1C
365620056	ZINC000354675104	ref	5.28	-25.76	0	296.714	1.3	1	6	4	COC(=O)c1cc(NC(=O)Cn2cc(Cl)cn2)cn1C
365620062	ZINC000354673555	ref	2.91	-12.81	0	273.311	1.845	2	3	5	Cc1ccncc1CN[C@H](C(N)=O)c1ccc(F)cc1
365620069	ZINC000354673555	low	3.97	-48.02	1	273.311	1.845	2	2	5	Cc1ccncc1C[NH2+][C@H](C(N)=O)c1ccc(F)cc1
178304729	ZINC000191990999	low	7.28	-29.67	1	232.283	2.026	0	3	2	Cc1cc2[nH+]cn(CC3OCCO3)c2cc1C
178304732	ZINC000045955864	ref	5.97	-51.98	-1	222.204	-0.408	0	7	2	Cc1cc2nn(CC(=O)[O-])c(=O)n2c(C)n1
178304735	ZINC000019264787	ref	8.22	-8.95	0	237.306	3.225	1	3	1	Cc1cc2ncn(-c3ccc(N)cc3)c2cc1C
178304737	ZINC000019264787	low	8.7	-28.78	1	237.306	3.225	1	2	1	Cc1cc2[nH+]cn(-c3ccc(N)cc3)c2cc1C
178304740	ZINC000043514780	ref	6.26	-15.63	0	233.34	2.5	1	3	2	Cc1cc2ncn([C@H](C)C(N)=S)c2cc1C
178304742	ZINC000043514780	low	6.74	-29.91	1	233.34	2.5	1	2	2	Cc1cc2[nH+]cn([C@H](C)C(N)=S)c2cc1C
398245920	ZINC000650859899	ref	0.8	-10.9	0	270.373	1.407	3	3	5	CC1(CNC(=O)NCC[C@@]2(O)CCOC2)CCCC1
365639390	ZINC000336555617	ref	6.0	-37.82	1	252.383	2.31	1	3	3	Cc1csc(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)n1
178304747	ZINC000188531803	ref	9.03	-10.41	0	244.338	3.221	0	3	2	Cc1cc2ncn(C[C@@H]3CC[C@@H](C)O3)c2cc1C
178304749	ZINC000188531803	low	9.5	-28.92	1	244.338	3.221	0	2	2	Cc1cc2[nH+]cn(C[C@@H]3CC[C@@H](C)O3)c2cc1C
342597213	ZINC000590787315	mid	7.06	-98.99	2	266.389	1.93	2	3	5	Cc1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1
365620065	ZINC000343677180	mid	6.48	-40.98	1	242.388	1.504	2	2	6	C=CC[C@@H](C)NC(=O)C[N@@H+](C)[C@H]1CCSC1
219048360	ZINC000350682313	ref	4.15	-14.89	0	295.223	2.311	1	2	8	C[C@H](C(=O)NCCOCC(F)(F)C(F)F)C(C)(F)F
214188578	ZINC000053572121	ref	6.28	-8.55	0	326.805	3.342	1	6	6	COCc1cccc(CNc2nc(Cl)c(C(=O)OC)s2)c1
214188583	ZINC000053575485	ref	7.45	-13.53	0	338.436	3.09	1	5	3	O=C(NC1CCN(c2nc3ccccc3s2)CC1)c1ccncc1
365620071	ZINC000343677180	mid	4.28	-8.73	0	242.388	1.504	1	3	6	C=CC[C@@H](C)NC(=O)CN(C)[C@H]1CCSC1
365620079	ZINC000576530479	ref	0.51	-90.84	2	213.281	-1.206	2	2	2	C[NH2+][C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21
365620085	ZINC000576530479	high	-0.79	-42.54	1	213.281	-1.206	2	3	2	CN[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21
365620090	ZINC000576530598	ref	0.26	-11.28	0	222.292	0.368	2	3	4	CC1(C)CN(CC(=O)NCc2cc[nH]n2)C1
365620096	ZINC000576530598	low	3.08	-38.52	1	222.292	0.368	3	2	4	CC1(C)C[NH+](CC(=O)NCc2cc[nH]n2)C1
342597214	ZINC000590787315	mid	7.05	-100.37	2	266.389	1.93	2	3	5	Cc1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1
365620101	ZINC000576529716	ref	2.15	-4.89	0	206.351	2.042	2	3	7	CCC[C@@H](O)CSCCC(C)(C)O
365620109	ZINC000576530268	ref	9.52	-33.9	0	237.343	2.814	1	2	8	C=CCCCC[N@H+](C1CC1)C1(C(=O)[O-])CCC1
342597215	ZINC000590786907	ref	9.42	-97.02	2	264.417	1.935	2	2	6	CC(C)[N@H+](C)CC1CC[NH+](CCn2cccn2)CC1
197595310	ZINC000162841734	ref	6.09	-15.6	0	315.373	3.125	2	4	4	Cc1cc(=O)n(C)cc1NC(=O)Nc1ccccc1OC(C)C
197595312	ZINC000162838856	ref	3.54	-12.13	0	306.786	2.35	1	3	3	CS(=O)(=O)[C@H]1CCC[C@@]1(O)Cc1ccc(Cl)cc1F
365620117	ZINC000576530268	mid	9.26	-32.62	0	237.343	2.814	1	2	8	C=CCCCC[N@@H+](C1CC1)C1(C(=O)[O-])CCC1
214188585	ZINC000053563848	ref	9.28	-11.11	0	326.444	3.119	1	3	4	C[C@H]1C[C@@H](C)CN(C(=O)NCc2ccc(Cn3cccn3)cc2)C1
214188593	ZINC000053580072	ref	5.24	-17.28	0	345.428	0.487	1	8	4	Cn1c(NCCN2CCc3sccc3C2)c(C#N)c(=O)n(C)c1=O
342597216	ZINC000590786907	mid	9.4	-97.21	2	264.417	1.935	2	2	6	CC(C)[N@@H+](C)CC1CC[NH+](CCn2cccn2)CC1
365620122	ZINC000576530784	ref	6.59	-5.23	0	233.34	2.497	1	4	3	Cc1ncc(C)c(NCc2cscc2C)n1
342597217	ZINC000590786907	high	7.05	-36.87	1	264.417	1.935	1	3	6	CC(C)[N@H+](C)CC1CCN(CCn2cccn2)CC1
365620128	ZINC000576530784	low	7.04	-29.45	1	233.34	2.497	1	3	3	Cc1nc(NCc2cscc2C)c(C)c[nH+]1
365620137	ZINC000576532692	ref	8.06	-41.95	1	241.419	3.606	1	1	7	CCC[C@@H](C)C[NH2+]CC[C@H]1C[C@H](C)O[C@H](C)C1
214188582	ZINC000278492192	ref	3.36	-9.7	0	320.414	2.702	2	5	6	Cc1cc(C(=O)NC[C@@H](O)c2ccc(OC(C)C)cc2)ns1
214188587	ZINC000278492723	ref	6.59	-58.34	1	304.365	3.096	1	3	8	COc1ccc(OCCC[NH2+]Cc2ccc(F)nc2C)cc1
214188590	ZINC000278492723	high	5.19	-9.74	0	304.365	3.096	1	4	8	COc1ccc(OCCCNCc2ccc(F)nc2C)cc1
219048361	ZINC000097694983	ref	7.04	-19.29	0	325.368	1.685	1	4	3	Cc1ccc(N2CC[C@H](C(=O)Nc3ccc(=O)n(C)c3)C2=O)cc1
219048363	ZINC000097694980	ref	10.23	-66.19	-1	341.392	2.885	0	7	6	CC(=O)c1cccc(-c2nc(Cc3cccs3)nn2CC(=O)[O-])c1
219048366	ZINC000097694656	ref	1.14	-23.08	0	334.332	-0.448	2	5	2	O=C1CC[C@@H](C(=O)N2CCN(C(=O)c3ccco3)CC2)NC(=O)N1
219048368	ZINC000097694721	ref	4.89	-18.99	0	347.444	0.705	0	7	5	CS(=O)(=O)CCN1CCN(c2nccc(-c3ccccn3)n2)CC1
219048370	ZINC000097694831	ref	5.25	-15.1	0	349.431	0.809	0	5	5	COCC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3ccco3)CC2)C1
219048372	ZINC000097694831	low	7.47	-47.94	1	349.431	0.809	1	4	5	COCC(=O)N1CCC[C@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1
219048374	ZINC000097695557	ref	3.34	-11.96	0	344.371	1.268	2	6	5	C[C@@H](NC(=O)c1ccco1)C(=O)Nc1cccnc1N1CCOCC1
219048376	ZINC000097694970	ref	10.55	-45.28	1	338.842	4.058	1	3	3	Clc1cccc2ccc(C[N@@H+]3CCC[C@H](c4ccncn4)C3)nc12
219048377	ZINC000097694970	mid	10.48	-42.65	1	338.842	4.058	1	3	3	Clc1cccc2ccc(C[N@H+]3CCC[C@H](c4ccncn4)C3)nc12
219048379	ZINC000097694970	mid	8.12	-12.83	0	338.842	4.058	0	4	3	Clc1cccc2ccc(CN3CCC[C@H](c4ccncn4)C3)nc12
214188594	ZINC000278492535	ref	5.5	-41.08	-1	315.772	3.072	0	3	4	CC(C)CO[C@@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1
214188601	ZINC000278492535	low	4.72	-8.82	0	315.772	3.072	1	3	4	CC(C)CO[C@@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1
219048381	ZINC000097696338	ref	4.45	-14.7	0	343.387	0.808	1	7	2	O=C(c1ccc(-n2cnnn2)cc1)N1CCC2(CC1)OCCC[C@H]2O
219048384	ZINC000097694886	ref	4.05	-58.98	1	342.399	0.862	2	5	4	COc1cccc2c1OC[C@H](C(=O)NCc1cc3n(n1)CC[NH2+]C3)C2
219048385	ZINC000097694886	mid	2.68	-12.24	0	342.399	0.862	2	6	4	COc1cccc2c1OC[C@H](C(=O)NCc1cc3n(n1)CCNC3)C2
342597218	ZINC000590786907	high	7.03	-37.33	1	264.417	1.935	1	3	6	CC(C)[N@@H+](C)CC1CCN(CCn2cccn2)CC1
343994221	ZINC000625559110	ref	1.82	-7.7	0	217.315	1.603	1	3	4	C/C=C/CNS(=O)(=O)c1ccsc1
343994225	ZINC000625559077	ref	0.88	-19.25	0	234.321	-0.041	1	3	5	C/C=C/CNS(=O)(=O)[C@@H](C)C(=O)N(C)C
343994228	ZINC000625559365	ref	1.76	-10.03	0	233.333	1.051	1	3	6	C/C=C/CNS(=O)(=O)CC[C@@H]1CCCO1
343994232	ZINC000625559294	ref	8.34	-29.28	1	235.371	2.985	1	1	5	C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](OCC)C1CC1
343994234	ZINC000625559294	mid	8.72	-29.43	1	235.371	2.985	1	1	5	C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@@H](OCC)C1CC1
398245913	ZINC000651431387	mid	3.6	-31.5	1	276.405	3.141	1	3	3	C[C@@H](CO)C1CCN(c2cc[nH+]c3ccsc23)CC1
282123383	ZINC000515311393	ref	3.44	-44.3	1	254.374	0.948	2	2	4	CCC(CC)(CO)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1
282123395	ZINC000515311393	mid	3.39	-43.44	1	254.374	0.948	2	2	4	CCC(CC)(CO)C(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1
365620073	ZINC000354673154	ref	1.17	-11.6	0	294.351	1.89	3	4	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(O)cc(OC)c1
365620083	ZINC000354674801	ref	5.44	-13.22	0	277.368	1.833	1	3	4	CO[C@@H]1CCCN(C(=O)N[C@H](C)Cc2ccncc2)C1
365620088	ZINC000354674431	ref	1.63	-41.61	-1	280.715	1.331	2	3	4	Cc1ccc(CC(=O)NCc2n[nH]c(=O)[n-]2)c(Cl)c1
365620094	ZINC000354674431	low	2.78	-12.83	0	280.715	1.331	3	3	4	Cc1ccc(CC(=O)NCc2n[nH]c(=O)[nH]2)c(Cl)c1
365620098	ZINC000354673444	ref	4.58	-43.83	1	255.272	1.344	1	4	6	Cn1ccc(CC[NH2+]Cc2ccn(C(F)F)n2)n1
365620105	ZINC000354673444	mid	3.21	-11.21	0	255.272	1.344	1	5	6	Cn1ccc(CCNCc2ccn(C(F)F)n2)n1
365620111	ZINC000354674534	ref	5.66	-8.75	0	253.346	1.895	1	5	7	CCC[C@H](NCc1ccnn1C(C)C)C(=O)OC
365620119	ZINC000354674533	ref	5.5	-10.39	0	253.346	1.895	1	5	7	CCC[C@@H](NCc1ccnn1C(C)C)C(=O)OC
365620123	ZINC000354674410	ref	4.81	-11.15	0	294.374	1.645	1	4	5	Cn1cc(N2CCC[C@H](NC(=O)C3(CCF)CC3)C2)cn1
282123398	ZINC000515311393	high	1.18	-10.99	0	254.374	0.948	1	3	4	CCC(CC)(CO)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1
282123401	ZINC000128776873	ref	7.48	-12.7	0	291.355	1.755	1	7	6	CCC(CC)(CNc1ncnc2c1cnn2C)C(=O)OC
282123405	ZINC000128776873	low	7.88	-38.0	1	291.355	1.755	1	6	6	CCC(CC)(CNc1[nH+]cnc2c1cnn2C)C(=O)OC
192038041	ZINC000418462814	ref	2.82	-51.41	1	231.365	0.728	2	2	4	C[C@@H](C[NH3+])CNC(=O)N(C)[C@@H]1CCSC1
343994237	ZINC000619372267	ref	6.55	-8.46	0	241.743	2.884	0	2	1	O=C(c1sccc1Cl)N1CC[C@H]2C[C@H]2C1
343994240	ZINC000625559295	ref	8.54	-29.44	1	235.371	2.985	1	1	5	C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](OCC)C1CC1
365620129	ZINC000354673602	ref	4.22	-18.03	0	297.351	1.426	1	3	5	O=C(CCC(=O)c1ccc(F)cc1)N[C@H]1CC[S@@](=O)C1
178304736	ZINC000237263343	ref	4.75	-52.85	1	354.41	1.459	2	4	7	COCC[NH2+]CC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1
178304738	ZINC000237263343	mid	3.41	-16.25	0	354.41	1.459	2	5	7	COCCNCC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1
178304739	ZINC000237262153	ref	4.86	-49.44	1	365.499	1.446	2	3	7	C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1
214188592	ZINC000293625463	ref	2.03	-13.39	0	365.449	0.206	1	5	6	O=C(CN1CCOCC1)N1CCN(C[C@@H](O)Cc2ccc(F)cc2)CC1
214188596	ZINC000293625463	mid	4.3	-56.62	1	365.449	0.206	2	4	6	O=C(CN1CCOCC1)N1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1
214188600	ZINC000293618121	ref	3.62	-19.54	0	368.459	0.782	1	5	4	CC(C)C(=O)Nc1cc(C(=O)N2CCN(S(C)(=O)=O)[C@@H](C)C2)ccn1
214188606	ZINC000293617139	ref	0.14	-18.47	0	361.37	0.725	2	6	7	Cc1c(S(=O)(=O)NC[C@@H](O)COc2ccc(F)c(F)c2)cnn1C
214188610	ZINC000293635389	ref	1.14	-15.24	0	371.401	0.71	2	8	6	CN(C)c1nc2cc(NC(=O)C(=O)NCCCc3cnn(C)n3)ccc2o1
214188615	ZINC000293633021	ref	7.16	-13.53	0	373.409	0.883	1	5	4	CCOC(=O)C(=O)N1CCN(C(=O)c2ccccc2NC(=O)C2CC2)CC1
214188619	ZINC000293623188	ref	3.57	-10.84	0	358.402	0.483	3	6	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cnn(-c2ccccc2)n1)C(C)C
214188623	ZINC000293619469	ref	2.72	-19.81	0	357.432	0.261	2	6	8	COC(=O)c1ccc(C(=O)NCCS(=O)(=O)NCC2CCC2)n1C
214188628	ZINC000293632263	ref	3.49	-28.91	0	351.428	0.802	2	5	4	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)[nH]c2ccccc21
214188636	ZINC000293620937	ref	1.68	-17.2	0	360.399	0.203	2	8	3	N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@@](O)(Cn2ccnn2)C1
214188641	ZINC000293620149	ref	2.3	-49.85	1	369.487	0.269	3	4	8	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCNS(=O)(=O)c1ccccc1
214188645	ZINC000293620149	mid	2.55	-49.25	1	369.487	0.269	3	4	8	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCNS(=O)(=O)c1ccccc1
214188649	ZINC000293620149	high	0.89	-17.15	0	369.487	0.269	2	5	8	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCNS(=O)(=O)c1ccccc1
214188655	ZINC000293618759	ref	2.06	-19.28	0	362.249	0.95	0	4	3	CN(C(=O)c1ccncc1Br)[C@H]1CCN(S(C)(=O)=O)C1
214188658	ZINC000293627453	ref	5.91	-14.48	0	354.382	0.837	1	6	6	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2cnn(CC(C)C)c2)C1
168366222	ZINC000083591149	ref	0.92	-40.73	1	165.236	1.11	2	1	3	C[C@@H]([NH3+])[C@@H](CO)c1ccccc1
282123375	ZINC000171339866	ref	6.94	-14.56	0	323.356	1.986	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccccc3)no1)CC2
282123385	ZINC000170737194	ref	5.97	-21.52	0	322.372	1.721	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)CC2
214188597	ZINC000053580072	mid	7.73	-60.17	1	345.428	0.487	2	7	4	Cn1c(NCC[N@@H+]2CCc3sccc3C2)c(C#N)c(=O)n(C)c1=O
214188598	ZINC000053580072	mid	7.74	-60.18	1	345.428	0.487	2	7	4	Cn1c(NCC[N@H+]2CCc3sccc3C2)c(C#N)c(=O)n(C)c1=O
214188603	ZINC000053575773	ref	5.27	-18.39	0	325.365	1.444	1	6	10	CNC(=O)c1ccc(N(CCCOC)CCOC)c([N+](=O)[O-])c1
214188608	ZINC000053557054	ref	5.54	-22.24	0	333.409	2.044	1	4	7	C[C@@H](Oc1ccccc1)C(=O)NCCS(=O)(=O)c1ccccc1
342597219	ZINC000616976810	ref	3.27	-15.98	0	299.396	1.449	0	5	5	CC[C@@H](C)N(CC)C(=O)c1nc(S(C)(=O)=O)ncc1C
214188612	ZINC000053573895	ref	5.43	-25.43	0	334.376	1.767	2	5	5	CNC(=O)c1ccc(N[C@H](C)C(=O)N2CCCCC2)c([N+](=O)[O-])c1
342597220	ZINC000616976918	ref	6.82	-20.07	0	295.387	1.216	0	6	6	CC[C@H](C)N(CC)C(=O)CC1(n2cnnn2)CCOCC1
136229380	ZINC000293003447	ref	6.35	-3.73	0	217.287	2.517	1	0	1	C[C@@H]1C[N@H+](CC#Cc2ccc(F)cc2)[C@@H]1C
306234473	ZINC000557853538	ref	6.68	-10.67	0	343.493	1.917	1	3	5	CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)N(C1CCCC1)C1CC1
214188616	ZINC000053573577	ref	9.21	-20.86	0	348.402	2.744	1	4	7	O=C(Cn1ccccc1=O)NCc1cccc(OCc2ccccc2)c1
219048365	ZINC000350694750	ref	3.74	-14.43	0	277.368	2.31	3	3	4	Cc1ccnc(NC(=O)NC[C@H]2CCC[C@H](CO)C2)c1
168366225	ZINC000050910811	ref	3.18	-44.02	1	190.29	1.738	1	1	2	C[C@@H]([NH3+])[C@@H](C)N1Cc2ccccc2C1
178304741	ZINC000237262868	ref	4.25	-55.4	1	351.834	1.289	2	3	4	COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)NC2C[NH2+]C2)CC1
398245914	ZINC000649443918	ref	5.71	-48.6	1	249.264	2.877	2	1	2	FC(F)c1nc2cc(C3=CC[NH2+]CC3)ccc2[nH]1
282123391	ZINC000292976184	ref	6.53	-15.13	0	308.744	2.124	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)ccc1Cl)CC2
306234474	ZINC000557853845	ref	6.92	-46.38	1	337.42	1.945	1	3	3	C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
219048371	ZINC000350682606	ref	8.64	-14.19	0	296.37	3.181	0	3	3	CC1=CCN(C(=O)[C@H](C)Oc2cnc3ccccc3c2)CC1
192038043	ZINC000418465615	ref	3.95	-52.83	1	211.309	0.941	2	1	6	C=CCCN(C)C(=O)N[C@@H](C[NH3+])C1CC1
342597221	ZINC000590786254	ref	7.67	-42.04	1	279.432	1.676	1	4	5	Cc1nnc(CN2CCC(C[N@@H+](C)C(C)C)CC2)n1C
219048373	ZINC000350695936	ref	4.76	-12.9	0	272.707	3.022	2	2	4	CC(=O)c1ccc(NC(=O)N[C@H](C)CF)cc1Cl
197595308	ZINC000290098664	ref	2.53	-11.13	0	291.38	0.835	0	6	3	Cn1ncc(CN2CCN(C(=O)c3ccsc3)CC2)n1
219048375	ZINC000350692360	ref	8.4	-14.87	0	281.425	2.326	0	4	4	CCS[C@@H]1CCCCN(C(=O)Cn2cc(C)cn2)C1
365620084	ZINC000623044849	high	0.12	-48.76	-1	317.336	1.305	2	3	6	O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@@H](C(F)F)C1CCCCC1
365620089	ZINC000623042522	ref	9.15	-25.99	0	313.386	1.429	0	6	4	O=C(Cc1nc2ncccn2n1)N1CC(Cc2ccsc2)C1
282123376	ZINC000248978972	ref	1.92	-10.75	0	305.44	1.534	1	4	5	CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)[C@@H]1CCO[C@H]1C
282123379	ZINC000248978979	ref	2.07	-9.96	0	305.44	1.534	1	4	5	CC(C)[C@@H]1OCCC[C@@H]1CNS(=O)(=O)[C@@H]1CCO[C@@H]1C
342597222	ZINC000590786254	mid	7.65	-39.98	1	279.432	1.676	1	4	5	Cc1nnc(CN2CCC(C[N@H+](C)C(C)C)CC2)n1C
219048383	ZINC000350683391	ref	2.82	-17.37	0	269.304	2.437	2	3	4	Cc1nc2cc(C(=O)NCCc3ccc[nH]3)ccc2o1
342597223	ZINC000590786254	mid	10.08	-104.8	2	279.432	1.676	2	3	5	Cc1nnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1C
342597224	ZINC000590786254	mid	10.06	-104.93	2	279.432	1.676	2	3	5	Cc1nnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1C
342597225	ZINC000590787019	ref	10.02	-94.38	2	283.46	1.907	2	1	7	CCN(CC)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342597226	ZINC000590787019	mid	10.04	-92.29	2	283.46	1.907	2	1	7	CCN(CC)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
282123382	ZINC000248977199	ref	4.0	-10.77	0	301.433	1.8	1	4	4	CSc1ccc(S(=O)(=O)N2CC[C@H](C)[C@@H]2CO)cc1
282123384	ZINC000248980923	ref	5.67	-9.35	0	315.369	1.982	2	4	5	COC(=O)[C@H](NC(=O)[C@H](C)c1ccc2ccccc2c1)[C@H](C)O
219048391	ZINC000350684183	ref	5.25	-10.84	0	295.354	2.179	2	3	5	CC(C)[C@H](O)C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1
219048394	ZINC000350684837	ref	-0.4	-15.14	0	270.31	-0.337	2	4	5	C[C@@H](CNC(=O)C(=O)c1ccccc1)S(N)(=O)=O
342597227	ZINC000590787019	high	7.88	-37.84	1	283.46	1.907	1	2	7	CCN(CC)C(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
219048396	ZINC000350686555	ref	2.88	-8.32	0	271.272	2.222	2	4	4	COc1ccc(O)c(NC(=O)C(=O)c2ccccc2)c1
219048398	ZINC000350686555	high	3.64	-45.52	-1	271.272	2.222	1	4	4	COc1ccc([O-])c(NC(=O)C(=O)c2ccccc2)c1
342597228	ZINC000590787019	high	7.9	-36.47	1	283.46	1.907	1	2	7	CCN(CC)C(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
342597229	ZINC000063107001	ref	3.98	-9.29	0	263.337	1.569	2	3	6	Cc1cccc(C)c1OC[C@H](O)CNC(=O)C1CC1
219048387	ZINC000097695558	ref	5.05	-11.64	0	329.404	1.829	2	5	5	Cc1n[nH]c(C)c1CCC(=O)Nc1cccnc1N1CCOCC1
178304743	ZINC000237249245	ref	3.28	-60.89	1	357.451	1.08	2	3	9	CN(CCCC(=O)NC[C@@H]([NH3+])C1CC1)S(=O)(=O)c1ccc(F)cc1
219048390	ZINC000097694991	ref	3.07	-33.35	0	328.39	0.322	1	5	6	CCS(=O)(=O)CC(=O)N1CCC[C@H]1C(=O)NCc1ccco1
219048392	ZINC000097696324	ref	3.12	-16.29	0	325.372	0.6	2	5	3	N#Cc1cccc(C(=O)N2CCN(Cc3c[nH]cn3)C[C@H](O)C2)c1
219048393	ZINC000097696324	mid	2.96	-15.98	0	325.372	0.6	2	5	3	N#Cc1cccc(C(=O)N2CCN(Cc3cnc[nH]3)C[C@H](O)C2)c1
219048395	ZINC000097696324	low	3.48	-45.73	1	325.372	0.6	2	4	3	N#Cc1cccc(C(=O)N2CCN(Cc3c[nH+]c[nH]3)C[C@H](O)C2)c1
219048397	ZINC000097696302	ref	7.65	-7.66	0	348.487	3.507	2	3	2	CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)N2CCOC[C@H]2CO)c1
219048399	ZINC000097694734	ref	5.21	-19.08	0	343.431	3.128	4	3	6	CCC(=O)Nc1cc(NC(=O)N[C@@H](C)Cc2cc(C)n[nH]2)ccc1C
219048401	ZINC000097694734	mid	5.51	-17.66	0	343.431	3.128	4	3	6	CCC(=O)Nc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)ccc1C
178304745	ZINC000237250960	ref	8.6	-67.32	-1	357.41	1.732	0	6	5	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)Cc2c(C)nn(-c3ccccc3)c2C)C1
136229381	ZINC000293003447	mid	9.72	-35.97	1	217.287	2.517	1	0	1	C[C@@H]1C[N@@H+](CC#Cc2ccc(F)cc2)[C@@H]1C
219048402	ZINC000097696282	ref	3.59	-16.94	0	349.316	2.819	3	4	5	O=C(NCCNc1cccnc1)c1ccc2[nH]c(C(F)(F)F)nc2c1
219048404	ZINC000097695931	ref	8.79	-50.54	-1	335.4	2.724	0	5	6	COc1cccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2CC(C)C)c1OC
178304746	ZINC000237245245	ref	5.07	-53.24	1	363.483	1.499	1	3	3	CC(=O)N1CCc2cc(S(=O)(=O)N(C)C3C[C@@H]4CC[C@H](C3)[NH2+]4)ccc21
219048406	ZINC000097695477	ref	11.73	-12.49	0	337.419	3.386	0	3	6	Cc1ccc(C(=O)C(=O)N(Cc2ccccc2)C[C@H]2CCCO2)cc1
178304748	ZINC000237257985	ref	6.95	-61.33	-1	371.231	1.892	1	4	8	CN(CCCC(=O)[O-])C(=O)CCNC(=O)c1ccc(Br)cc1
214188604	ZINC000278493144	ref	4.83	-6.81	0	317.414	2.696	2	4	4	CCc1ccccc1NC(=O)C(=O)NC(C)(C)c1nccs1
219048407	ZINC000097696262	ref	8.81	-12.65	0	343.471	3.718	2	2	6	C[C@H](NC(=O)Nc1ccccc1CCC(=O)N(C)C)C1=CCCCC1
219048409	ZINC000097696125	ref	10.54	-45.36	1	339.483	3.465	1	3	8	COCCc1ncc(C[N@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cn1
214188609	ZINC000278492432	ref	4.37	-6.89	0	318.398	2.381	2	4	2	C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1csc2ccccc12
214188614	ZINC000278492030	ref	6.89	-12.88	0	312.417	2.747	1	4	4	CC(C)c1nn(C)cc1C(=O)NCc1ccc2c(n1)CCCC2
214188618	ZINC000278492868	ref	4.94	-6.57	0	320.389	1.886	1	4	2	COc1cc(C)c(NC(=O)C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1C
214188621	ZINC000278493970	ref	4.07	-23.52	0	301.433	1.384	0	3	2	Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@@H](C)C2)cc1
178304750	ZINC000237264820	ref	9.96	-69.82	-1	369.421	1.984	0	6	4	CO[C@H]1C[C@H](C(=O)[O-])N(C(=O)c2nn(-c3ccccc3C)c3c2CCC3)C1
178304751	ZINC000237264982	ref	3.92	-22.77	0	363.805	1.2	2	6	4	COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(c2cnn(C)c2)C1=O
178304754	ZINC000237247045	ref	5.47	-54.36	1	371.478	1.437	1	3	7	CN(C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1)C1CC[NH2+]CC1
214188626	ZINC000278493281	ref	8.63	-102.71	2	304.478	3.005	3	1	7	CC(C)[NH+]1CCC(O)(C[NH2+]CC[C@H](C)c2ccccc2)CC1
214188630	ZINC000278492896	ref	8.05	-18.29	0	318.402	2.282	1	6	6	COc1cccc(SCC(=O)Nc2cc(N(C)C)ncn2)c1
214188633	ZINC000278492877	ref	2.61	-17.2	0	318.402	1.868	2	5	3	CC(=O)NC1CCC(NC(=O)c2nc3cccnc3s2)CC1
178304755	ZINC000237264711	ref	5.52	-47.75	1	359.47	1.553	2	3	6	COCc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
178305364	ZINC000002666083	low	11.39	-33.72	1	236.318	3.701	0	1	2	Cc1cc2[nH+]cn(Cc3ccccc3)c2cc1C
178305368	ZINC000035741158	ref	8.87	-43.2	-1	232.283	2.689	0	4	3	Cc1cc2ncn([C@H](C)CC(=O)[O-])c2cc1C
185089535	ZINC000096077975	ref	6.91	-43.77	1	259.353	1.881	2	1	3	C=CC[N@@H+]1CCC12CCN(C(=O)c1ccc[nH]1)CC2
185089536	ZINC000096077975	mid	6.84	-43.8	1	259.353	1.881	2	1	3	C=CC[N@H+]1CCC12CCN(C(=O)c1ccc[nH]1)CC2
185089537	ZINC000096077975	high	3.88	-10.71	0	259.353	1.881	1	2	3	C=CCN1CCC12CCN(C(=O)c1ccc[nH]1)CC2
178305371	ZINC000035741158	low	9.34	-45.48	0	232.283	2.689	0	3	3	Cc1cc2[nH+]cn([C@H](C)CC(=O)[O-])c2cc1C
178305376	ZINC000062534552	ref	6.82	-50.5	0	247.298	1.455	1	4	4	Cc1cc2ncn(CC[C@@H]([NH3+])C(=O)[O-])c2cc1C
342597230	ZINC000590786536	ref	6.13	-39.12	1	294.399	1.087	2	4	6	CC(C)[N@H+](C)CC1CCN(CC(=O)Nc2ccon2)CC1
185089538	ZINC000096076143	ref	7.69	-17.61	0	276.34	0.694	0	5	4	CCOCC(=O)N1CC[C@]2(CCN2c2ncccn2)C1
185089539	ZINC000096076995	ref	5.7	-50.95	1	259.353	1.716	2	2	2	O=C1CCC[C@]2(CCC[N@H+](Cc3ccncc3)C2)N1
185089540	ZINC000096076995	mid	6.11	-49.79	1	259.353	1.716	2	2	2	O=C1CCC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)N1
185089541	ZINC000096076995	mid	3.71	-10.44	0	259.353	1.716	1	3	2	O=C1CCC[C@]2(CCCN(Cc3ccncc3)C2)N1
398245915	ZINC000651435028	ref	6.91	-7.89	0	283.456	3.458	1	2	6	CC[C@H](C)CN(CC)C(=O)C1CCC(C(C)(C)O)CC1
219048403	ZINC000350693889	ref	6.41	-12.32	0	287.285	3.244	2	2	3	Cc1ccnc(NC(=O)NCC2(C(F)(F)F)CCC2)c1
398245919	ZINC000651431195	ref	5.18	-34.05	1	288.366	3.219	1	2	3	C[C@H](CO)C1CCN(c2cc[nH+]c3cc(F)ccc23)CC1
219048408	ZINC000350693929	ref	-0.56	-10.87	0	293.314	-0.407	2	4	6	CC(C)NC(=O)CNC(=O)[C@@H]1COCCN1CC(F)F
219048410	ZINC000350692366	ref	7.54	-19.33	0	268.401	2.138	0	2	5	CC(C)[C@H]1N(C(=O)CCCC(=O)N(C)C)CC1(C)C
219048413	ZINC000350684614	ref	6.92	-8.55	0	276.767	3.29	1	3	3	CO[C@H]1CC[C@@H](Nc2ccc3ccc(Cl)cc3n2)C1
185089542	ZINC000096076205	ref	6.51	-34.35	1	294.42	1.933	1	3	1	C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1
185089543	ZINC000096076205	mid	6.91	-36.09	1	294.42	1.933	1	3	1	C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1
185089544	ZINC000096076205	high	4.79	-8.58	0	294.42	1.933	0	4	1	CN1CCOC[C@]2(CCCN(C(=O)c3ccsc3)C2)C1
185089545	ZINC000096076188	ref	6.34	-41.61	1	278.4	0.964	1	4	2	Cn1ccnc1CN1CCC[C@]2(COCC[N@H+](C)C2)C1
185089546	ZINC000096076188	mid	5.27	-45.31	1	278.4	0.964	1	4	2	Cn1ccnc1CN1CCC[C@]2(COCC[N@@H+](C)C2)C1
185089547	ZINC000096076188	low	6.81	-76.86	2	278.4	0.964	1	3	2	Cn1cc[nH+]c1CN1CCC[C@]2(COCC[N@H+](C)C2)C1
185089548	ZINC000096076188	low	5.72	-81.23	2	278.4	0.964	1	3	2	Cn1cc[nH+]c1CN1CCC[C@]2(COCC[N@@H+](C)C2)C1
185089549	ZINC000096076188	high	4.36	-8.33	0	278.4	0.964	0	5	2	CN1CCOC[C@]2(CCCN(Cc3nccn3C)C2)C1
185089550	ZINC000096077911	ref	10.65	-37.61	1	274.367	3.978	1	1	1	Cc1ccc([C@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1
219048415	ZINC000350686080	ref	8.28	-5.76	0	269.348	3.123	1	4	4	CO[C@@H]1CC[C@@H](Nc2ncncc2-c2ccccc2)C1
219048417	ZINC000350695937	ref	4.76	-12.66	0	272.707	3.022	2	2	4	CC(=O)c1ccc(NC(=O)N[C@@H](C)CF)cc1Cl
219048419	ZINC000350682596	ref	5.79	-10.77	0	283.265	2.066	1	2	8	O=C(NCCOCC(F)(F)C(F)F)[C@@H]1C[C@@H]1C1CC1
185089551	ZINC000096077911	mid	9.54	-5.57	0	274.367	3.978	1	2	1	Cc1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1
219048421	ZINC000350684440	ref	6.45	-7.87	0	258.431	2.072	0	3	6	CCCCN(CC)C(=O)CN1CCS[C@H](C)C1
365620092	ZINC000641589023	ref	3.45	-13.48	0	291.347	1.446	1	4	4	COc1ccc(OC(C)(C)C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
365620102	ZINC000641590619	ref	4.5	-11.79	0	293.75	1.895	1	3	2	O=C(C[C@@H]1OCc2cc(Cl)ccc21)N1C[C@@H]2C[C@]2(O)C1
365620110	ZINC000641589226	ref	2.65	-8.5	0	286.253	1.616	1	3	1	Cc1ncc(C(F)(F)F)cc1C(=O)N1C[C@H]2C[C@@]2(O)C1
178304752	ZINC000036533456	ref	5.68	-8.88	0	225.089	2.644	0	2	0	Cc1cc2nn(C)cc2cc1Br
342597231	ZINC000590786536	mid	6.12	-40.23	1	294.399	1.087	2	4	6	CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2ccon2)CC1
185089552	ZINC000096075999	ref	7.29	-40.77	1	260.337	1.98	1	2	3	O=C(c1ccco1)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
178304753	ZINC000044183897	ref	6.15	-9.27	0	218.3	2.595	1	3	2	Cc1cc2ncn([C@H](C)[C@@H](C)O)c2cc1C
342597232	ZINC000590786536	low	8.31	-100.42	2	294.399	1.087	3	3	6	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccon2)CC1
185089553	ZINC000096075999	mid	7.32	-41.96	1	260.337	1.98	1	2	3	O=C(c1ccco1)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
342597233	ZINC000590786536	low	8.29	-102.12	2	294.399	1.087	3	3	6	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccon2)CC1
342597234	ZINC000590786202	ref	8.65	-92.23	2	267.417	1.271	2	1	5	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCC2)CC1
365620114	ZINC000641588865	ref	5.54	-14.28	0	275.348	1.493	1	3	4	Cc1ccc(CO[C@H](C)C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
365620121	ZINC000641588868	ref	5.74	-10.45	0	257.333	1.692	1	2	2	Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1C[C@H]2C[C@@]2(O)C1
365620133	ZINC000641589194	ref	3.02	-10.55	0	270.336	1.601	1	5	3	Cn1nccc1C1=CCN(c2cc(CO)ccn2)CC1
365639392	ZINC000641608601	ref	2.57	-37.93	1	253.321	1.112	2	3	4	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1ccncc1F
282123380	ZINC000182168821	high	2.52	-10.42	0	299.415	0.918	1	4	5	CN(C)C[C@@H]1CN(C(=O)NCC[C@@H]2CCCCO2)CCO1
178304756	ZINC000044183897	low	6.63	-25.14	1	218.3	2.595	1	2	2	Cc1cc2[nH+]cn([C@H](C)[C@@H](C)O)c2cc1C
282123386	ZINC000176014368	ref	8.24	-82.87	2	338.496	1.365	3	2	4	C[NH+](C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1
342597235	ZINC000590786202	mid	8.64	-94.33	2	267.417	1.271	2	1	5	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC2)CC1
342597236	ZINC000590786202	mid	6.49	-38.09	1	267.417	1.271	1	2	5	CC(C)[N@H+](C)CC1CCN(CC(=O)N2CCC2)CC1
342597237	ZINC000590786202	mid	6.48	-39.46	1	267.417	1.271	1	2	5	CC(C)[N@@H+](C)CC1CCN(CC(=O)N2CCC2)CC1
342597238	ZINC000616976917	ref	6.69	-20.15	0	295.387	1.216	0	6	6	CC[C@@H](C)N(CC)C(=O)CC1(n2cnnn2)CCOCC1
219048411	ZINC000097696125	mid	10.73	-47.1	1	339.483	3.465	1	3	8	COCCc1ncc(C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cn1
219048412	ZINC000097696125	high	9.72	-5.68	0	339.483	3.465	0	4	8	COCCc1ncc(CN(C)C[C@]2(c3ccccc3)CC2(C)C)cn1
219048414	ZINC000097694858	ref	8.67	-11.91	0	327.815	4.318	1	2	1	O=C(Nc1ccc(Cl)c2ncccc12)N1C[C@H]2CC=CC[C@H]2C1
299072318	ZINC000337910357	ref	9.22	-11.84	0	293.415	2.486	1	4	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)c1nncn1C
299072325	ZINC000446235689	ref	7.55	-7.62	0	282.428	3.164	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@H]1CCCO1
197595327	ZINC000290099849	ref	5.89	-12.2	0	268.32	1.179	1	4	5	C#CC[C@H](Cc1ccccc1)NC(=O)c1cn(C)nn1
197595329	ZINC000290099384	ref	5.25	-6.54	0	286.331	2.487	0	5	3	CO[C@@]1(c2nc(-c3ccc4c(c3)CCC4)no2)CCOC1
197595335	ZINC000290097568	ref	5.75	-48.9	1	299.378	1.84	2	4	4	CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-n2ccnn2)cc1
342081130	ZINC000625327027	ref	3.74	-37.29	1	254.374	1.435	2	2	7	CCO[C@H](C[NH2+][C@H]1CCCC[C@H]1C(N)=O)C1CC1
219048416	ZINC000097694987	ref	3.69	-31.9	0	342.417	0.712	1	5	7	CCCS(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1
219048418	ZINC000097694778	ref	6.54	-100.97	2	349.479	0.97	2	5	4	C[NH+]1CCC(n2nc(C3CCOCC3)nc2C[C@@H]2C[NH2+]CCO2)CC1
219048420	ZINC000097694778	high	5.19	-43.79	1	349.479	0.97	2	6	4	C[NH+]1CCC(n2nc(C3CCOCC3)nc2C[C@@H]2CNCCO2)CC1
219048422	ZINC000097695338	ref	5.14	-12.18	0	332.791	3.153	3	3	4	CCC(=O)Nc1ccc(Cl)c(NC(=O)c2n[nH]c3c2CCC3)c1
214188613	ZINC000337629598	low	0.86	-18.17	0	275.264	0.549	2	5	3	O=C(N[C@@H]1CCOC1)c1ccc(-c2nc(=O)o[nH]2)cc1
342081131	ZINC000625319093	ref	-0.28	-8.7	0	263.297	1.555	1	6	7	COC[C@@H](NCc1cncc(OC)n1)c1ccco1
299072331	ZINC000466488355	ref	7.39	-9.78	0	282.428	3.022	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@H]1CCOC1
342081132	ZINC000625319093	low	0.93	-40.36	1	263.297	1.555	1	5	7	COC[C@@H]([NH2+]Cc1cncc(OC)n1)c1ccco1
342081133	ZINC000625318012	ref	0.6	-42.69	1	265.357	1.516	2	4	6	COc1cncc(C[NH2+][C@H](CO)C2CCCCC2)n1
342081134	ZINC000625318012	high	-0.73	-6.83	0	265.357	1.516	2	5	6	COc1cncc(CN[C@H](CO)C2CCCCC2)n1
342081135	ZINC000625318111	ref	-1.34	-8.17	0	289.335	1.317	2	6	7	COc1cccc([C@H](CO)NCc2cncc(OC)n2)c1
342081136	ZINC000625318111	low	-0.14	-44.99	1	289.335	1.317	2	5	7	COc1cccc([C@H](CO)[NH2+]Cc2cncc(OC)n2)c1
398245917	ZINC000650439476	ref	7.24	-11.25	0	249.345	3.754	1	1	9	CC[C@@H](C)CCCCC(=O)NCCC(C)(F)F
214188620	ZINC000337630165	ref	5.77	-5.4	0	292.354	2.165	2	2	5	CC(C)[C@H](NC(=O)C(=O)NCC1CC1)c1ccc(F)cc1
346818869	ZINC000611565032	high	6.24	-53.03	-1	277.32	1.95	0	4	6	CCOC(=O)CCN(C(=O)c1cccc([O-])c1)C1CC1
214188625	ZINC000337631203	ref	4.8	-13.98	0	283.412	2.201	1	3	5	CCCC[C@H](C)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@@H]1O
214188629	ZINC000337631434	ref	5.23	-89.27	2	268.405	0.866	4	1	6	C[NH+](C)C1(CNC(=O)NCC[NH+]2CCC2)CCCC1
214188632	ZINC000337631434	mid	2.04	-41.96	1	268.405	0.866	3	2	6	C[NH+](C)C1(CNC(=O)NCCN2CCC2)CCCC1
214188635	ZINC000337628323	ref	-0.18	-11.77	0	261.297	-0.061	3	3	6	C[C@@H](NC(=O)NC[C@H]1CCCO1)C(=O)NCCF
214188638	ZINC000337629831	ref	6.93	-53.24	-1	293.371	0.698	1	4	1	C[C@H]1CCC[C@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1
178304757	ZINC000037694326	ref	5.69	-11.52	0	218.3	2.424	1	3	2	Cc1cc2ncn(CC(C)(C)O)c2cc1C
214188640	ZINC000337629831	low	7.08	-20.27	0	293.371	0.698	2	4	1	C[C@H]1CCC[C@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1
214188643	ZINC000337631154	ref	6.89	-9.34	0	259.271	3.164	1	1	5	CCC(=O)NCCCc1cccc(C(F)(F)F)c1
343994224	ZINC000139411325	ref	4.1	-3.88	0	149.218	2.312	1	2	0	N=C1Cc2ccccc2S1
299072319	ZINC000354603489	ref	2.72	-48.34	-1	328.346	0.998	1	6	4	O=C(NC[C@@H]1CCCCS1(=O)=O)c1cc([O-])ccc1[N+](=O)[O-]
214188651	ZINC000337630377	ref	2.56	-14.59	0	283.372	0.274	2	3	4	CC(=O)N[C@@H](C)C(=O)N1CCC[C@H](NC(=O)C(C)C)C1
214188654	ZINC000337632311	ref	9.13	-15.36	0	277.412	3.092	0	3	7	CN(CCC1CCCCC1)C(=O)CCCn1cccn1
214188659	ZINC000337630137	ref	8.41	-41.28	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@H]1CC[N@@H+]2CCCC[C@H]12
214188661	ZINC000337630137	mid	8.41	-37.27	1	291.439	2.493	3	1	4	O=C(NCC1(C2CC2)CCC1)N[C@H]1CC[N@H+]2CCCC[C@H]12
214188665	ZINC000337631379	ref	6.98	-11.07	0	286.379	3.278	1	4	4	C[C@H](CC(=O)Nc1cnccc1-n1cccn1)C(C)(C)C
178304758	ZINC000037694326	low	6.18	-32.67	1	218.3	2.424	1	2	2	Cc1cc2[nH+]cn(CC(C)(C)O)c2cc1C
214188668	ZINC000337631379	mid	7.43	-35.71	1	286.379	3.278	1	3	4	C[C@H](CC(=O)Nc1c[nH+]ccc1-n1cccn1)C(C)(C)C
299072321	ZINC000354603489	low	1.96	-21.23	0	328.346	0.998	2	6	4	O=C(NC[C@@H]1CCCCS1(=O)=O)c1cc(O)ccc1[N+](=O)[O-]
343994227	ZINC000139411325	low	4.03	-31.69	1	149.218	2.312	1	1	0	[NH2+]=C1Cc2ccccc2S1
214188679	ZINC000337628639	ref	6.8	-37.74	1	279.384	0.694	1	2	4	CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1
219048423	ZINC000350684440	mid	8.84	-39.07	1	258.431	2.072	1	2	6	CCCCN(CC)C(=O)C[N@@H+]1CCS[C@H](C)C1
214188622	ZINC000053558481	ref	6.55	-17.58	0	331.437	2.518	1	3	7	Cc1cccc(CCC(=O)NCCS(=O)(=O)c2ccccc2)c1
214188627	ZINC000053555942	ref	9.05	-15.73	0	338.31	2.051	0	4	4	O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1
178304759	ZINC000043062454	ref	7.36	-10.78	0	230.296	2.47	0	5	1	Cc1cc2nnc(-c3cccs3)n2c(C)n1
219048425	ZINC000350684440	mid	8.9	-38.6	1	258.431	2.072	1	2	6	CCCCN(CC)C(=O)C[N@H+]1CCS[C@H](C)C1
293078540	ZINC000360598318	ref	7.67	-9.63	0	265.397	2.696	0	2	5	COC[C@H](C)[C@H](C)C(=O)N1CC2(CCC2)[C@@H]1C1CC1
185089554	ZINC000096075999	high	4.31	-9.89	0	260.337	1.98	0	3	3	O=C(c1ccco1)N1CC[C@]2(CCN2CC2CC2)C1
219048428	ZINC000350692886	ref	6.6	-9.49	0	290.407	3.375	0	3	4	CC(C)Oc1cncc(C(=O)N2CC(C)(C)[C@H]2C(C)C)c1
219048431	ZINC000350685054	ref	1.57	-14.17	0	270.292	2.35	2	4	3	Cc1nc2ccc(C(=O)N[C@@H](C)c3cn[nH]c3)cc2o1
398245918	ZINC000649443918	mid	5.71	-50.26	1	249.264	2.877	2	1	2	FC(F)c1nc2ccc(C3=CC[NH2+]CC3)cc2[nH]1
214188631	ZINC000053555942	mid	9.05	-15.72	0	338.31	2.051	0	4	4	O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1
214188634	ZINC000053574259	ref	6.97	-12.02	0	327.38	2.297	1	4	6	O=C(NCc1cccc(OCc2ccccc2)c1)[C@H]1COCCO1
398245921	ZINC000649444098	ref	8.19	-5.73	0	218.321	3.644	0	2	1	C=C(C)c1ccc2c(c1)C(=O)[C@@H](C)CS2
219048437	ZINC000350694990	ref	8.29	-9.06	0	272.392	3.466	0	2	3	CC(C)[C@@H]1N(C(=O)c2cccnc2C2CC2)CC1(C)C
219048440	ZINC000350695919	ref	7.08	-10.15	0	284.363	3.101	2	3	3	Cc1ccnn1-c1ccccc1NC(=O)N[C@H]1CC[C@@H]1C
219048442	ZINC000350684348	ref	5.72	-11.33	0	289.375	2.268	1	3	4	COc1cccc2c1[C@H](C(=O)NC[C@@H]1CCCOC1)CC2
178304760	ZINC000051020151	ref	6.94	-11.36	0	232.327	2.816	1	3	5	Cc1cc2ncn(CCCCCO)c2cc1C
219048443	ZINC000350695958	ref	5.8	-18.36	0	295.346	3.149	3	3	3	Cc1ccc(NC(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)nc1
219048446	ZINC000350692941	ref	6.8	-14.95	0	294.399	2.083	1	3	5	CO[C@H](C)CN(C)C(=O)N=c1cc(C)n([C@@H](C)C2CC2)[nH]1
219048448	ZINC000350692963	ref	6.7	-14.81	0	294.399	2.083	1	3	5	CO[C@H](C)CN(C)C(=O)N=c1cc(C)n([C@H](C)C2CC2)[nH]1
219048450	ZINC000350686209	ref	7.29	-47.88	1	298.427	2.099	1	3	8	CCC(CC)(CC(=O)OC)[NH2+]CCC(=O)N1CCC[C@H]1C
398245926	ZINC000649444049	ref	3.64	-10.52	0	202.257	1.888	1	3	2	Cc1cc(-c2ccc(CO)cc2)nn1C
178304761	ZINC000051020151	low	7.41	-34.3	1	232.327	2.816	1	2	5	Cc1cc2[nH+]cn(CCCCCO)c2cc1C
365620097	ZINC000625021379	ref	5.36	-16.59	0	307.438	2.254	2	2	5	NC(=O)CCC1CCN(C(=O)NC[C@@H]2CCCC23CC3)CC1
365620104	ZINC000625022285	ref	5.55	-12.74	0	321.402	2.095	0	5	3	CC[C@@H]1CN(S(=O)(=O)c2cnc(C)n2C)c2ccccc2O1
365620113	ZINC000625021402	ref	7.15	-15.36	0	318.343	2.421	1	4	4	CC(C)c1nnc2n1C[C@H](NC(=O)C[C@@H](C)C(F)(F)F)CC2
365620118	ZINC000625021979	ref	7.0	-10.93	0	318.425	2.33	1	6	9	CCOCCCn1c(-c2cn[nH]c2)nnc1N(C)[C@@H](C)C1CC1
365620124	ZINC000625021161	ref	6.26	-12.68	0	310.438	2.261	1	3	7	COCCOC[C@@H]1CCN(C(=O)NC[C@@H]2CCCC23CC3)C1
365620131	ZINC000625020993	ref	5.28	-12.37	0	322.409	2.303	1	7	10	CCOCCCn1c(-c2ccc(CO)o2)nnc1N(CC)CC
365620139	ZINC000625021489	ref	10.03	-17.04	0	324.428	2.384	1	4	4	CCc1nnc2n1C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccc(C)c1)CC2
365620147	ZINC000625021304	ref	5.33	-11.58	0	316.409	2.083	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@@H]2CCC[C@H]21
365620154	ZINC000625020911	ref	7.73	-11.49	0	316.409	2.25	1	6	10	C=CCN(c1nnc(-c2cn[nH]c2)n1CCCOCC)C1CC1
178304762	ZINC000104253789	ref	3.52	-53.57	1	231.299	1.158	2	3	1	Cc1cc2ncn([C@@H]3C[NH2+]C[C@H]3O)c2cc1C
178304763	ZINC000104253789	low	4.0	-105.56	2	231.299	1.158	2	2	1	Cc1cc2[nH+]cn([C@@H]3C[NH2+]C[C@H]3O)c2cc1C
343994223	ZINC000599272681	ref	7.14	-14.8	0	274.368	1.808	1	4	4	Cc1cn2c(n1)C[C@@H](C(=O)N[C@H](C#N)CC(C)C)CC2
365620161	ZINC000625021163	ref	6.26	-12.62	0	310.438	2.261	1	3	7	COCCOC[C@@H]1CCN(C(=O)NC[C@H]2CCCC23CC3)C1
365620169	ZINC000625020701	ref	6.19	-14.02	0	307.438	2.123	2	2	3	CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCCC23CC3)[C@@H](C)C1
365620176	ZINC000625020112	ref	6.41	-10.67	0	318.425	2.33	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](C)[C@H]1C
365620181	ZINC000625021424	ref	4.0	-9.41	0	306.328	2.275	2	2	2	O=C(NC[C@H]1CCCC12CC2)N1CC[C@@](O)(C(F)(F)F)C1
365620187	ZINC000625020686	ref	4.41	-13.78	0	322.409	2.499	1	5	6	CO[C@@H](C)c1noc(CN(C)C(=O)NC[C@@H]2CCCC23CC3)n1
365620196	ZINC000625020285	ref	6.59	-11.12	0	310.438	2.404	1	3	7	CCOCCO[C@H]1CCN(C(=O)NC[C@H]2CCCC23CC3)C1
365620202	ZINC000625022286	ref	5.45	-13.01	0	321.402	2.095	0	5	3	CC[C@H]1CN(S(=O)(=O)c2cnc(C)n2C)c2ccccc2O1
178304764	ZINC000050194610	ref	6.51	-11.88	0	225.255	1.682	1	5	1	Cc1cc2nnc(-c3ccc(N)cc3)n2cn1
219048424	ZINC000097695130	ref	3.63	-9.97	0	349.46	1.978	1	7	6	C[C@H]1CN(Cc2csc(NC(=O)CCn3cccn3)n2)C[C@@H](C)O1
306234475	ZINC000557853845	high	4.54	-8.89	0	337.42	1.945	0	4	3	C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
219048429	ZINC000097696121	ref	3.61	-26.56	0	335.429	1.877	2	4	7	CC(C)CS(=O)(=O)CCNC(=O)c1cccc(-c2cn[nH]c2)c1
219048430	ZINC000097695054	ref	5.49	-10.29	0	326.356	2.391	1	6	4	Cc1nc(C2(NC(=O)C3=NO[C@H](c4ccccc4)C3)CCC2)no1
214188637	ZINC000278491962	ref	8.32	-8.18	0	300.402	2.726	0	3	3	CN(C)c1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCC2=O)c1
398245922	ZINC000651431195	mid	4.75	-7.51	0	288.366	3.219	1	3	3	C[C@H](CO)C1CCN(c2ccnc3cc(F)ccc23)CC1
178304766	ZINC000016739068	ref	4.57	-12.26	0	232.287	1.79	2	4	3	Cc1cc2ncn(CC/C(N)=N\O)c2cc1C
178304767	ZINC000016739068	low	5.05	-33.91	1	232.287	1.79	2	3	3	Cc1cc2[nH+]cn(CC/C(N)=N\O)c2cc1C
398245924	ZINC000651443984	ref	5.18	-5.47	0	250.342	3.256	0	4	2	CC1CC(c2nc([C@H]3CCOC(C)(C)C3)no2)C1
178304769	ZINC000001643145	ref	0.05	-8.94	0	216.244	0.928	2	4	1	Cc1cc2nnc(C(N)=O)c(N)c2cc1C
219048433	ZINC000097696242	ref	6.05	-39.62	1	349.479	0.996	3	6	6	CCOCC[N@@H+]1CCC2(CCN(c3nccc(N)n3)CC2)[C@H](CO)C1
219048435	ZINC000097696242	mid	6.15	-39.53	1	349.479	0.996	3	6	6	CCOCC[N@H+]1CCC2(CCN(c3nccc(N)n3)CC2)[C@H](CO)C1
192339908	ZINC000081925893	mid	2.77	-15.18	0	301.408	1.789	1	5	8	CCN[C@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1
398245928	ZINC000651433375	ref	7.98	-9.15	0	294.276	3.485	0	3	3	Fc1ccc2c(c1)[C@@H](c1nc(CC3CC(F)(F)C3)no1)C2
214188642	ZINC000278492961	ref	5.59	-9.42	0	323.368	1.867	2	4	4	CC(C)O[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1(C)C
178304771	ZINC000128332782	ref	7.19	-16.15	0	242.282	2.393	0	5	2	Cc1cc2ncn(Cc3nonc3C)c2cc1C
214188647	ZINC000278492479	ref	3.7	-16.03	0	318.28	2.435	1	6	4	Cc1nnc(NC(=O)c2ccc(OCC(F)(F)F)cn2)s1
214188652	ZINC000278493752	ref	6.13	-19.92	0	316.401	3.035	2	3	5	CC(C)[C@H]1OCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
219048436	ZINC000097696242	mid	6.37	-78.37	2	349.479	0.996	3	5	6	CCOCC[N@@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@H](CO)C1
178304772	ZINC000128332782	low	7.68	-41.74	1	242.282	2.393	0	4	2	Cc1cc2[nH+]cn(Cc3nonc3C)c2cc1C
178304773	ZINC000027653567	ref	7.96	-13.31	0	242.257	2.547	0	4	1	Cc1cc2nnc(C)n2nc1-c1cccc(F)c1
210256427	ZINC000000643894	ref	6.41	-11.06	0	360.479	4.104	2	4	3	CNC(=O)c1c(NC(=O)c2ccco2)sc2c1CC[C@H](C(C)(C)C)C2
210256431	ZINC000000641061	ref	8.86	-68.58	-1	367.142	3.242	1	3	3	O=C([O-])c1ccccc1C(=O)Nc1ccc(I)cc1
210256436	ZINC000000641624	ref	12.76	-6.87	0	350.414	3.636	0	4	4	CCOC(=O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)OCC
210256441	ZINC000000643035	ref	12.18	-45.23	1	369.336	4.401	1	1	4	CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1[NH+]1CCCC1
210256448	ZINC000000643227	ref	9.5	-43.01	-1	373.528	3.407	1	4	4	O=C1[C@@H](CSC(=S)[N-]c2ccccc2)NC(=S)N1c1ccccc1
197595332	ZINC000162842630	ref	5.69	-12.86	0	311.179	2.659	1	3	2	Cc1cnc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)c(Br)c1
342597239	ZINC000590785103	ref	5.14	-11.26	0	272.308	1.069	1	4	1	Cc1nc(NC(=O)C(=O)N2CC(C)(C)C2)ccc1C#N
210256455	ZINC000000643227	low	9.78	-18.04	0	373.528	3.407	2	4	4	O=C1[C@@H](CSC(=S)Nc2ccccc2)NC(=S)N1c1ccccc1
210256459	ZINC000000640982	ref	10.07	-11.97	0	364.832	5.523	2	2	4	Cc1ccc(NC(=O)Nc2ccc(C(=O)c3ccccc3)cc2)cc1Cl
210256467	ZINC000000645171	ref	5.92	-15.9	0	353.447	4.09	1	5	7	Cc1cccc(NC(=O)CCSc2nnc(Cc3ccccc3)o2)c1
210256474	ZINC000000641901	ref	13.24	-17.35	0	359.425	5.15	0	3	5	CCOC(=O)c1ccccc1N(C(=O)c1ccc(C)cc1)c1ccccc1
214188639	ZINC000053578341	ref	6.07	-12.74	0	330.779	2.376	2	6	4	Cc1nc(NCC(=O)Nc2ccc(Cl)cc2)c2cnn(C)c2n1
214188644	ZINC000053575657	ref	5.18	-15.72	0	336.395	2.765	0	5	7	CN(CCc1ccccn1)C(=O)CCc1nnc(-c2ccccc2)o1
210256480	ZINC000000643393	ref	9.75	-5.87	0	372.184	5.039	1	1	4	O=C(CCc1ccccc1)Nc1ccc(C(F)(F)F)cc1Br
210256492	ZINC000000644308	ref	7.41	-12.86	0	354.406	2.485	1	4	5	Cc1ccc(OCC(=O)Nc2ccccc2C(=O)N2CCOCC2)cc1
342597240	ZINC000590785485	ref	4.62	-43.53	1	260.337	1.071	3	2	3	O=C(C[N@H+]1CCc2ccc(O)cc2CC1)NC1CC1
210256499	ZINC000000643989	ref	8.8	-19.13	0	366.273	4.75	0	3	4	Cc1ccc(N2C(=S)N=NC2COc2ccc(Cl)cc2Cl)cc1
210256504	ZINC000000643989	high	11.58	-49.7	-1	366.273	4.75	0	4	4	Cc1ccc(-n2c(COc3ccc(Cl)cc3Cl)n[n-]c2=S)cc1
136229382	ZINC000293003447	mid	6.35	-3.73	0	217.287	2.517	0	1	1	C[C@@H]1CN(CC#Cc2ccc(F)cc2)[C@@H]1C
346818871	ZINC000611565990	ref	5.66	-14.49	0	258.293	1.792	0	3	4	O=C(CSCc1cccnc1)N1CC(F)(F)C1
210256507	ZINC000000641691	ref	8.18	-12.74	0	366.402	3.374	0	8	3	COc1ccc(-c2nn3c([C@H]4COc5ccccc5O4)nnc3s2)cc1
210256513	ZINC000000641701	ref	8.53	-16.35	0	353.407	3.226	0	8	6	CCOc1ccccc1OCc1nn2c(-c3ccncc3)nnc2s1
210256522	ZINC000000644811	ref	10.04	-13.07	0	358.228	4.679	1	3	5	N#C[C@H](C(=O)CCc1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl
210256524	ZINC000000644811	mid	10.02	-11.6	0	358.228	4.679	1	3	5	N#CC(C(=O)CCc1nc2ccccc2[nH]1)c1c(Cl)cccc1Cl
214188650	ZINC000053577438	ref	4.23	-15.48	0	346.416	1.444	2	7	5	CNS(=O)(=O)c1ccc([C@H](C)Nc2ncnc3c2cnn3C)cc1
210256532	ZINC000000644289	ref	10.04	-16.09	0	362.861	3.746	1	4	7	CCCN(CCC)C(=O)c1cnn(-c2ccccc2Cl)c1NC(C)=O
210256600	ZINC000428341301	ref	2.42	-28.07	0	329.466	0.973	2	3	4	CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CCC(C(N)=O)CC2)C1
210256445	ZINC000272862365	ref	1.42	-11.52	0	319.354	1.184	1	5	5	COc1ccc(S(=O)(=O)NCC2(C)OCCO2)c(C)c1F
210256450	ZINC000272863573	ref	4.35	-9.41	0	324.421	2.031	2	4	9	COC[C@@H](CNC(=O)N[C@@H](C)COc1c(C)cccc1C)OC
210256453	ZINC000272863596	ref	3.6	-11.08	0	318.776	2.501	2	3	7	COC[C@@H](CNC(=O)N[C@H](C)c1ccc(F)c(Cl)c1)OC
342597241	ZINC000590785485	mid	4.62	-42.76	1	260.337	1.071	3	2	3	O=C(C[N@@H+]1CCc2ccc(O)cc2CC1)NC1CC1
342597242	ZINC000590785485	mid	2.87	-10.16	0	260.337	1.071	2	3	3	O=C(CN1CCc2ccc(O)cc2CC1)NC1CC1
210256458	ZINC000272862510	ref	6.26	-13.19	0	311.381	3.322	1	3	4	C[C@H](O)[C@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1
136229383	ZINC000293346730	ref	4.32	-8.64	0	248.326	2.309	1	3	6	C=C(C)C[C@@H](C)C(=O)NCc1cnccc1OC
210256463	ZINC000272863073	ref	0.71	-18.72	0	304.35	0.038	2	4	4	CNC(=O)CN(C)[C@H](C)C(=O)N1CC(=O)Nc2ccccc21
282123388	ZINC000248977074	ref	2.62	-39.47	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1
346818872	ZINC000601316833	mid	6.95	-38.0	1	272.396	2.236	1	3	5	CCc1cccnc1[C@@H](C)[NH+]1CCN(CCC#N)CC1
214188653	ZINC000053577438	low	4.6	-48.66	1	346.416	1.444	2	6	5	CNS(=O)(=O)c1ccc([C@H](C)Nc2[nH+]cnc3c2cnn3C)cc1
124847264	ZINC000054188306	ref	5.96	-58.08	-1	262.236	2.809	1	4	4	O=C([O-])c1cccc(F)c1Oc1cccc(CO)c1
346818876	ZINC000601317002	ref	4.14	-10.68	0	284.363	2.42	0	5	4	C[C@H](c1cc2cnccc2o1)N1CCN(CCC#N)CC1
214188656	ZINC000278493179	ref	4.74	-14.68	0	300.376	1.728	1	6	9	CCOC[C@@H](O)COc1ccccc1SCC(=O)OC
214188660	ZINC000278493991	ref	3.69	-11.78	0	315.373	2.563	1	5	3	Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCOC[C@H]3C)c12
214188664	ZINC000278492177	ref	8.54	-6.91	0	308.376	3.1	0	4	6	Cc1cc(C)c(CN(C)Cc2ncnn2CC(F)F)c(C)c1
398245923	ZINC000650439438	ref	0.52	-56.39	-1	233.218	1.199	2	3	4	Cc1n[nH]c(C(=O)NCCC(C)(F)F)c1[O-]
178304775	ZINC000073198093	ref	6.44	-42.13	1	228.299	1.655	2	3	2	Cc1cc2ncn(CC3=[NH+]CCN3)c2cc1C
178304776	ZINC000073198093	low	6.92	-96.73	2	228.299	1.655	2	2	2	Cc1cc2[nH+]cn(CC3=[NH+]CCN3)c2cc1C
178304777	ZINC000073198093	high	5.83	-13.18	0	228.299	1.655	1	4	2	Cc1cc2ncn(CC3=NCCN3)c2cc1C
214188667	ZINC000278492177	low	10.55	-43.67	1	308.376	3.1	1	3	6	Cc1cc(C)c(C[N@H+](C)Cc2ncnn2CC(F)F)c(C)c1
178304779	ZINC000019801858	ref	9.3	-14.36	0	248.289	2.909	0	4	1	Cc1cc2ncn(-c3ncccc3C#N)c2cc1C
214188669	ZINC000278492177	low	10.79	-43.4	1	308.376	3.1	1	3	6	Cc1cc(C)c(C[N@@H+](C)Cc2ncnn2CC(F)F)c(C)c1
178304781	ZINC000043513994	ref	5.71	-57.08	1	203.289	2.173	1	2	2	Cc1cc2ncn([C@H](C)C[NH3+])c2cc1C
178304783	ZINC000043513994	low	6.2	-105.25	2	203.289	2.173	1	1	2	Cc1cc2[nH+]cn([C@H](C)C[NH3+])c2cc1C
178304786	ZINC000045955833	ref	6.07	-51.76	-1	208.177	-0.716	0	7	2	Cc1cc2nn(CC(=O)[O-])c(=O)n2cn1
178304787	ZINC000019397576	ref	8.46	-7.26	0	237.306	3.225	1	3	1	Cc1cc2ncn(-c3ccccc3N)c2cc1C
214188671	ZINC000278493675	ref	9.49	-14.57	0	318.333	1.69	0	8	5	CC(C)(C)OC(=O)CCC(=O)Oc1ccc(-n2cnnn2)cc1
214188675	ZINC000278493654	ref	6.96	-9.43	0	304.434	2.491	0	3	8	COCCN(CC(=O)N(C)C)Cc1ccc(C2CCC2)cc1
214188678	ZINC000278493654	mid	9.15	-38.88	1	304.434	2.491	1	2	8	COCC[N@H+](CC(=O)N(C)C)Cc1ccc(C2CCC2)cc1
214188681	ZINC000278493654	mid	9.11	-39.09	1	304.434	2.491	1	2	8	COCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C2CCC2)cc1
214188685	ZINC000278493998	ref	3.69	-12.23	0	315.373	2.563	1	5	3	Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCOC[C@@H]3C)c12
178304789	ZINC000019397576	low	8.94	-28.14	1	237.306	3.225	1	2	1	Cc1cc2[nH+]cn(-c3ccccc3N)c2cc1C
178304792	ZINC000048258110	ref	5.35	-10.48	0	246.314	2.351	2	4	3	Cc1cc2ncn([C@@H](C)C/C(N)=N/O)c2cc1C
178304795	ZINC000048258110	low	5.83	-35.98	1	246.314	2.351	2	3	3	Cc1cc2[nH+]cn([C@@H](C)C/C(N)=N/O)c2cc1C
365620099	ZINC000274312785	ref	2.35	-12.15	0	278.234	1.565	2	4	5	C[C@H](COCC(F)(F)F)NC(=O)Nc1cncnc1
365620106	ZINC000274311191	ref	5.04	-26.72	0	298.408	1.958	0	4	7	CCCCCS(=O)(=O)CC(=O)N(C)c1ccnc(C)c1
365620116	ZINC000274308381	ref	0.86	-10.48	0	252.318	1.397	3	4	6	CCC(CC)(CO)CNC(=O)Nc1cncnc1
282123389	ZINC000248977074	mid	2.58	-34.71	1	309.406	1.275	3	4	8	COc1cccc(COC[C@H](O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c1
365620127	ZINC000274310984	ref	4.9	-15.05	0	254.315	1.12	1	5	4	CCCS(=O)(=O)Nc1nc2cccnc2n1C
365620130	ZINC000274310984	high	4.86	-50.0	-1	254.315	1.12	0	5	4	CCCS(=O)(=O)[N-]c1nc2cccnc2n1C
365620138	ZINC000274312645	ref	3.49	-11.42	0	290.363	1.308	2	3	4	C[C@H]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@H]1C
365620149	ZINC000274311182	ref	3.35	-45.21	1	290.314	1.091	2	4	7	C[C@@H](CC[NH+](C)C)NC(=O)c1cc(OC(F)F)n(C)n1
365620155	ZINC000274312370	ref	3.62	-15.82	0	282.384	1.387	2	3	7	C=CC(=O)NCCC(=O)N[C@@H]1C[C@H](OC(C)C)C1(C)C
365620170	ZINC000274309880	ref	2.35	-13.42	0	279.315	1.45	3	2	4	CC1(C)C[C@H]1NC(=O)N[C@@H](C(N)=O)c1ccc(F)cc1
282123392	ZINC000248981239	ref	4.08	-22.0	0	306.362	1.247	1	4	5	COc1ccc([C@H](C)N(C)C(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1
343994226	ZINC000599272681	low	7.52	-38.59	1	274.368	1.808	1	3	4	Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@H](C#N)CC(C)C)CC2
343994230	ZINC000599272747	ref	2.21	-9.77	0	253.327	1.82	1	5	5	COc1cc(C(=O)N[C@@H](C#N)CC(C)C)sn1
365620180	ZINC000274313860	ref	3.75	-14.09	0	262.313	1.11	2	4	4	CC(=O)N[C@H](C(=O)Nc1cncnc1)C1CCCC1
365620195	ZINC000274313785	ref	1.32	-17.15	0	292.217	1.094	2	5	5	O=C(CCNC(=O)OCC(F)(F)F)Nc1cncnc1
365620207	ZINC000274312375	ref	3.69	-18.94	0	282.384	1.387	2	3	7	C=CC(=O)NCCC(=O)N[C@@H]1C[C@@H](OC(C)C)C1(C)C
365620220	ZINC000274309556	ref	3.94	-16.66	0	253.277	1.91	2	3	2	C[C@H]1C[C@H](NC(=O)Nc2cccc(F)n2)CCO1
190494188	ZINC000269437704	ref	7.15	-12.47	0	262.309	1.425	0	4	5	CCN(CC(=O)OC)C(=O)/C=C/c1cncc(C)c1
365620250	ZINC000274312641	ref	3.61	-11.44	0	290.363	1.308	2	3	4	C[C@H]1[C@H](C)CCN1C(=O)CNC(=O)Cc1ccc(O)cc1
365620259	ZINC000274312506	ref	3.47	-16.56	0	292.335	1.113	1	4	4	COc1ccc2c(c1)[C@@H](NC(=O)CN(C)C(C)=O)CCO2
214188657	ZINC000053573481	ref	2.23	-25.23	0	334.254	1.045	3	5	6	CNC(=O)c1ccc(NCC(=O)NCC(F)(F)F)c([N+](=O)[O-])c1
365620269	ZINC000274313181	ref	3.7	-9.19	0	285.365	1.547	0	4	4	CCN(C)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1
197595342	ZINC000162836971	ref	7.73	-8.11	0	304.346	2.025	0	4	6	COCCCCN1C(=O)C(=O)N(c2ccc(C)cc2C)C1=O
346818873	ZINC000067770166	ref	6.94	-12.55	0	250.367	2.796	0	3	5	C/C=C/C=C/C(=O)N(C)Cc1csc(CC)n1
365620100	ZINC000623044111	ref	3.99	-43.96	1	310.394	1.408	3	4	8	COc1cc(CCCNC(=O)[C@H](C)[NH+](C)C)cc(OC)c1O
342081137	ZINC000625318112	ref	-1.24	-8.19	0	289.335	1.317	2	6	7	COc1cccc([C@@H](CO)NCc2cncc(OC)n2)c1
219048438	ZINC000097696242	mid	6.46	-76.72	2	349.479	0.996	3	5	6	CCOCC[N@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@H](CO)C1
219048439	ZINC000097694784	ref	8.45	-11.41	0	344.434	3.213	0	5	6	CCCCOc1cc(F)ccc1-c1ccc(N2CCN(C)CC2)nn1
219048441	ZINC000097694784	mid	10.83	-46.39	1	344.434	3.213	1	4	6	CCCCOc1cc(F)ccc1-c1ccc(N2CC[NH+](C)CC2)nn1
219048444	ZINC000097696350	ref	2.18	-46.6	-1	348.363	0.126	2	7	5	O=C([O-])[C@@H]1CN(Cc2cn[nH]n2)CCN(C(=O)NCc2ccco2)C1
219048445	ZINC000097696350	mid	2.25	-52.51	-1	348.363	0.126	2	7	5	O=C([O-])[C@@H]1CN(Cc2c[nH]nn2)CCN(C(=O)NCc2ccco2)C1
219048447	ZINC000097695049	ref	5.98	-9.35	0	336.354	1.863	1	4	4	COC(=O)C1(NC(=O)[C@H]2CCCN(CC(F)(F)F)C2)CCCC1
219048449	ZINC000097695495	ref	9.15	-13.45	0	325.412	2.72	1	3	5	O=C(c1n[nH]c2c1CCC2)N(Cc1ccccc1)C[C@H]1CCCO1
219048451	ZINC000097694967	ref	8.86	-41.68	1	332.831	3.575	2	2	6	O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)o1
214188662	ZINC000053576284	ref	9.53	-18.12	0	344.378	3.429	2	6	4	Cc1ccnc2nc(C(=O)Nc3ccc(Nc4ccccc4)cc3)nn12
219048452	ZINC000097694967	mid	8.93	-41.75	1	332.831	3.575	2	2	6	O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)o1
219048455	ZINC000097696178	ref	8.53	-41.33	1	335.411	2.783	0	5	3	Cc1nc(-c2cccc(N3CCOCC3)c2)n(-c2cc[nH+]c(C)c2)n1
219048457	ZINC000097696178	high	8.1	-10.28	0	335.411	2.783	0	6	3	Cc1cc(-n2nc(C)nc2-c2cccc(N3CCOCC3)c2)ccn1
365620108	ZINC000623044111	mid	1.65	-14.11	0	310.394	1.408	2	5	8	COc1cc(CCCNC(=O)[C@H](C)N(C)C)cc(OC)c1O
342081138	ZINC000625318112	low	-0.13	-45.69	1	289.335	1.317	2	5	7	COc1cccc([C@@H](CO)[NH2+]Cc2cncc(OC)n2)c1
342081139	ZINC000625327143	ref	1.13	-13.53	0	296.392	1.666	2	3	7	C=CC(C)(C)CCNS(=O)(=O)c1ccc(C(N)=O)cc1
342081140	ZINC000625318613	ref	9.04	-21.07	0	287.367	1.56	0	5	3	Cc1cncn1CC(=O)N1CCC[C@H](n2ccnc2C)C1
365620103	ZINC000172801062	high	4.01	-9.36	0	275.396	1.947	2	3	6	CN1CCC(C(=O)NCCCNc2ccccc2)CC1
214188663	ZINC000293621182	ref	6.54	-16.9	0	359.43	0.819	2	7	6	Cn1cnn(CCC(=O)Nc2ccccc2N2CCC(CO)CC2)c1=O
365620112	ZINC000158178666	ref	4.23	-51.1	1	290.367	1.647	1	5	9	CCCOc1ccc(OCCn2cc(CC[NH3+])nn2)cc1
365620126	ZINC000565281601	ref	3.65	-15.04	0	270.336	1.196	1	4	4	N#Cc1ccc(CN2CCC[C@H]2C(=O)NC2CC2)nc1
365620135	ZINC000565281601	low	5.84	-43.4	1	270.336	1.196	2	3	4	N#Cc1ccc(C[N@H+]2CCC[C@H]2C(=O)NC2CC2)nc1
365620142	ZINC000565281601	low	6.11	-47.61	1	270.336	1.196	2	3	4	N#Cc1ccc(C[N@@H+]2CCC[C@H]2C(=O)NC2CC2)nc1
365620151	ZINC000172801511	ref	4.91	-40.02	1	267.398	1.718	2	3	3	CNC(=O)[C@@H]1CCC[N@H+](Cc2sc(C)nc2C)C1
365620159	ZINC000172801511	mid	4.79	-36.75	1	267.398	1.718	2	3	3	CNC(=O)[C@@H]1CCC[N@@H+](Cc2sc(C)nc2C)C1
365620167	ZINC000172801511	high	2.16	-11.08	0	267.398	1.718	1	4	3	CNC(=O)[C@@H]1CCCN(Cc2sc(C)nc2C)C1
365620179	ZINC000172796608	ref	7.27	-54.87	1	285.347	1.217	1	4	4	Cn1nc2c(cc1=O)C[N@@H+](CCOc1ccccc1)CC2
365620188	ZINC000172796608	mid	7.24	-55.33	1	285.347	1.217	1	4	4	Cn1nc2c(cc1=O)C[N@H+](CCOc1ccccc1)CC2
365620194	ZINC000172796608	mid	4.92	-11.49	0	285.347	1.217	0	5	4	Cn1nc2c(cc1=O)CN(CCOc1ccccc1)CC2
365620203	ZINC000172794698	ref	4.22	-14.54	0	264.325	1.455	1	4	3	Cc1cc(CC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)no1
365620212	ZINC000172803550	ref	7.62	-10.82	0	287.359	1.92	1	3	2	CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)[C@@H]1Cc2ccccc2O1
365620219	ZINC000565293660	ref	2.73	-46.76	1	291.351	1.468	3	3	8	COCC[NH2+]CCNC(=O)NCc1cc2ccccc2o1
365620238	ZINC000565293660	high	1.39	-10.73	0	291.351	1.468	3	4	8	COCCNCCNC(=O)NCc1cc2ccccc2o1
365620253	ZINC000158188368	ref	4.55	-50.28	1	260.341	1.475	1	4	6	Cc1cc(C)cc(OCCn2cc(CC[NH3+])nn2)c1
365620263	ZINC000172800034	ref	7.71	-58.17	1	299.374	1.737	1	4	4	CCOc1ccc(C[N@@H+]2CCc3nn(C)c(=O)cc3C2)cc1
365620271	ZINC000172800034	mid	7.71	-58.14	1	299.374	1.737	1	4	4	CCOc1ccc(C[N@H+]2CCc3nn(C)c(=O)cc3C2)cc1
365620277	ZINC000172800034	mid	5.04	-10.84	0	299.374	1.737	0	5	4	CCOc1ccc(CN2CCc3nn(C)c(=O)cc3C2)cc1
343994231	ZINC000139317740	ref	4.17	-5.66	0	196.294	1.343	1	2	2	CC(C)[C@H]1NCN(C2CCCC2)C1=O
214188666	ZINC000053581699	ref	6.64	-17.15	0	325.376	1.541	1	7	6	CCN(CC)C(=O)[C@@H](Nc1ccc2nnnn2n1)c1ccccc1
214188672	ZINC000053570120	ref	5.84	-15.92	0	348.384	2.291	2	6	6	CCc1nc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)sc1C
214188677	ZINC000053575393	ref	5.6	-20.2	0	330.388	0.803	1	4	6	CN(CCc1ccccn1)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O
342597243	ZINC000590785775	ref	1.68	-12.15	0	286.335	1.296	1	5	4	CCc1noc(CN2C[C@H](C(N)=O)Cc3ccccc32)n1
282123390	ZINC000151685422	ref	4.48	-7.38	0	314.426	2.173	1	4	5	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)[C@H]1CCOC1
342597244	ZINC000590785873	ref	6.08	-10.99	0	284.319	1.069	1	4	2	Cc1nc(NC(=O)C(=O)N2CC(C3CC3)C2)ccc1C#N
197595348	ZINC000290097687	ref	3.81	-11.01	0	290.363	2.669	2	4	6	C=C[C@@](C)(O)CC(=O)Nc1ccc(OC2CCCC2)nc1
398245925	ZINC000650858666	ref	2.11	-10.82	0	284.4	1.796	3	3	4	C[C@@H]1CC[C@@H](NC(=O)NCC[C@]2(O)CCCOC2)CC1
214188687	ZINC000053580948	ref	5.07	-11.43	0	328.372	1.497	1	6	5	COc1ccnc(N[C@H](C(=O)N2CCOCC2)c2ccccc2)n1
214188692	ZINC000053555031	ref	8.62	-16.36	0	345.468	3.188	2	3	6	Cc1cccc(C)c1NC(=O)CN(C)C(=O)NCCc1cccs1
214188700	ZINC000053562546	ref	8.96	-12.59	0	343.471	3.254	1	2	3	CC1CCN(C(=O)NCc2ccc(C(=O)N3CCCCC3)cc2)CC1
398245930	ZINC000650858667	ref	2.06	-10.76	0	284.4	1.796	3	3	4	C[C@@H]1CC[C@@H](NC(=O)NCC[C@@]2(O)CCCOC2)CC1
214188711	ZINC000053571901	ref	6.34	-8.56	0	326.787	3.716	1	5	6	Clc1cncc(NCc2cccc(OCc3ccccn3)c2)n1
214188722	ZINC000053574767	ref	11.18	-17.76	0	338.415	1.77	0	6	6	Cc1nc2ncnn2c(C)c1CCC(=O)N(C)CCc1ccccn1
214188727	ZINC000053574256	ref	6.97	-11.92	0	327.38	2.297	1	4	6	O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1COCCO1
214188732	ZINC000053565715	ref	4.94	-20.78	0	337.383	2.089	4	3	5	Cc1ccnc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(N)=O)c1
214188740	ZINC000053557082	ref	5.82	-12.96	0	349.456	1.288	1	3	5	C#CCNC(=O)N1CCN(S(=O)(=O)c2ccc(CCC)cc2)CC1
342597245	ZINC000616976853	ref	1.76	-11.97	0	288.369	1.496	1	4	5	CC[C@@H](C)N(CC)C(=O)c1oc(S(N)(=O)=O)cc1C
342597246	ZINC000616976774	ref	5.14	-8.17	0	250.346	1.557	1	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2n[nH]nc2C1
342597247	ZINC000616976774	mid	5.2	-10.97	0	250.346	1.557	1	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2[nH]nnc2C1
365620107	ZINC000121827794	ref	9.98	-14.25	0	294.355	2.279	0	5	6	Cc1nc([N+](=O)[O-])cn1CCC(=O)N(C(C)C)C1CCC1
365620125	ZINC000121828739	ref	4.77	-14.88	0	283.397	2.341	1	5	7	CC(C)[C@@H](C)NC(=O)CSCc1nc(C2CC2)no1
365620134	ZINC000121827852	ref	7.19	-41.78	1	266.772	2.421	2	1	5	C/C(=C\c1cccc(Cl)c1)C(=O)NCC[NH+](C)C
365620144	ZINC000121827852	high	4.72	-7.6	0	266.772	2.421	1	2	5	C/C(=C\c1cccc(Cl)c1)C(=O)NCCN(C)C
365620153	ZINC000121830105	ref	3.15	-16.55	0	283.416	2.302	3	2	9	NC(=O)NCCCCC(=O)NCCCC1CCCCC1
365620164	ZINC000121823339	ref	6.47	-11.39	0	285.365	2.083	1	5	7	CSCC[C@H](NC(=O)c1ccco1)C(=O)OC(C)C
365620177	ZINC000121829546	ref	8.62	-14.46	0	278.4	2.412	1	3	7	CCC[C@@H]1C[C@H]1NC(=O)N(C)CCCn1ccnc1C
365620189	ZINC000121829546	mid	9.1	-35.03	1	278.4	2.412	1	2	7	CCC[C@@H]1C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1C
365620200	ZINC000121831020	ref	4.02	-8.8	0	257.131	2.374	1	2	4	CCCCNC(=O)c1ccncc1Br
365620213	ZINC000121825685	ref	6.29	-10.0	0	295.386	2.348	0	3	3	Cc1ccc(CN2CCN(C(=O)c3ccccc3)CC2)cn1
365620218	ZINC000121825685	low	8.6	-50.64	1	295.386	2.348	1	2	3	Cc1ccc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cn1
365620227	ZINC000121829629	ref	8.19	-14.99	0	274.295	2.435	0	3	4	COc1cccnc1N(C)C(=O)Cc1ccc(F)cc1
342597248	ZINC000616976774	mid	5.2	-11.08	0	250.346	1.557	1	3	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2nn[nH]c2C1
365620239	ZINC000121822165	ref	5.82	-10.91	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2CC[C@@H](C)C[C@@H]2C)cnn1C
365620249	ZINC000121826244	ref	5.05	-8.07	0	257.337	2.157	1	3	3	C[C@]1(c2ccccc2)CN(Cc2ncc[nH]2)CCO1
365620258	ZINC000121826244	low	5.41	-34.8	1	257.337	2.157	1	2	3	C[C@]1(c2ccccc2)CN(Cc2[nH]cc[nH+]2)CCO1
365620264	ZINC000121826447	ref	6.89	-12.45	0	292.354	2.042	0	3	2	C[C@H]1CC[C@H](C(=O)N2CCN(c3ccccc3F)CC2)O1
365620276	ZINC000121822363	ref	5.36	-10.7	0	274.368	2.055	2	3	4	CN(C)c1cccc(CNC(=O)N[C@@H]2C=CCCC2)n1
365620285	ZINC000121825163	ref	9.16	-8.66	0	282.274	2.189	0	3	4	C#CCN(CC#C)C(=O)c1cc(-c2ccc(F)cc2)on1
365620296	ZINC000121828743	ref	6.97	-13.04	0	273.311	2.066	0	3	1	Cc1nn(C)cc1C(=O)N1CCc2ccc(F)cc2C1
168366229	ZINC000050910811	low	5.44	-114.48	2	190.29	1.738	2	0	2	C[C@@H]([NH3+])[C@@H](C)[NH+]1Cc2ccccc2C1
365620304	ZINC000121829796	ref	5.57	-12.1	0	288.351	2.449	2	4	5	CCOc1cc(C)ccc1CNC(=O)Nc1ccn(C)n1
342081141	ZINC000625318613	low	10.03	-76.71	2	287.367	1.56	0	3	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@H](n2cc[nH+]c2C)C1
343994233	ZINC000139317740	low	5.33	-48.45	1	196.294	1.343	1	1	2	CC(C)[C@H]1[NH2+]CN(C2CCCC2)C1=O
214188674	ZINC000293631168	ref	0.52	-17.91	0	353.4	0.123	1	5	3	CN(C(=O)c1ccc2c(c1)NC(=O)CO2)[C@@H]1CCN(S(C)(=O)=O)C1
214188680	ZINC000293627640	ref	1.96	-26.1	0	357.407	0.307	1	4	7	CN(CC(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1)S(C)(=O)=O
349536200	ZINC000258939277	ref	9.28	-6.94	0	238.294	2.293	0	4	3	Cc1ccccc1CN(C)c1cc(C#N)ncn1
214188686	ZINC000293620636	ref	0.05	-18.94	0	354.354	0.761	2	5	4	Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)c(C(F)(F)F)n1
214188690	ZINC000293620636	mid	-0.29	-50.83	-1	354.354	0.761	1	5	4	Cn1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2C(N)=O)c(C(F)(F)F)n1
214188694	ZINC000293629166	ref	1.66	-12.2	0	374.441	0.818	4	4	5	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O
342081142	ZINC000157764736	ref	4.75	-47.69	1	253.346	1.141	3	2	5	C[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC1CC1)C1CCC1
214188702	ZINC000293615646	ref	6.23	-10.96	0	372.429	0.858	2	7	4	CC(C)[C@@]1(CO)CCCN(C(=O)C(=O)Nc2cccnc2-n2cncn2)C1
214188704	ZINC000293630199	ref	0.77	-14.12	0	355.366	0.541	3	5	7	COc1cc(NC(=O)C(=O)N[C@H](C)C(=O)NCCF)cc(OC)c1C
214188710	ZINC000293619486	ref	4.03	-15.25	0	350.448	0.808	0	7	4	Cc1c(S(=O)(=O)N(C)[C@@H]2CCCN(c3cccnn3)C2)cnn1C
214188714	ZINC000293632796	ref	4.25	-15.63	0	360.414	0.735	2	4	6	CCN(C)C(=O)CNC(=O)C(=O)Nc1ccc(N(C(C)=O)C2CC2)cc1
214188719	ZINC000293617131	ref	0.14	-18.55	0	361.37	0.725	2	6	7	Cc1c(S(=O)(=O)NC[C@H](O)COc2ccc(F)c(F)c2)cnn1C
214188725	ZINC000293618559	ref	-0.7	-15.5	0	374.459	0.649	3	6	11	CCOc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](O)CC)cc1OCC
214188730	ZINC000293629237	ref	5.93	-17.9	0	356.43	0.972	1	6	2	C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)C[C@@H](C)N1C
214188735	ZINC000293629237	mid	8.13	-44.97	1	356.43	0.972	2	5	2	C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)C[C@@H](C)[N@@H+]1C
342081143	ZINC000625318906	ref	4.03	-40.67	1	251.359	1.555	1	5	6	CC[C@H]([NH2+]CCc1cn(C)nn1)c1nccs1
342081144	ZINC000625318906	high	2.55	-11.24	0	251.359	1.555	1	6	6	CC[C@H](NCCc1cn(C)nn1)c1nccs1
342081145	ZINC000625318797	ref	4.25	-42.64	1	256.39	1.553	2	2	5	C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H]1CCCOC1
342081146	ZINC000625327130	ref	3.53	-8.15	0	260.403	1.907	1	2	6	C=CC(C)(C)CCNS(=O)(=O)N1CCC[C@@H]1C
398245927	ZINC000650439138	ref	5.46	-12.27	0	239.344	2.724	2	3	4	CC[C@@H](C)NC(=O)Nc1ncccc1SC
342081147	ZINC000625318715	ref	6.02	-18.47	0	287.323	1.164	1	5	2	Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(=O)[nH]cn2)C1
342081148	ZINC000625318715	mid	6.5	-47.39	1	287.323	1.164	1	4	2	Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cc(=O)[nH]cn2)C1
342081149	ZINC000625318715	high	4.87	-44.05	-1	287.323	1.164	0	5	2	Cc1nccn1[C@@H]1CCCN(C(=O)c2cc(=O)[n-]cn2)C1
342081150	ZINC000625318796	ref	4.29	-42.6	1	256.39	1.553	2	2	5	C[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@H]1CCCOC1
342081151	ZINC000625318615	ref	9.06	-21.06	0	287.367	1.56	0	5	3	Cc1cncn1CC(=O)N1CCC[C@@H](n2ccnc2C)C1
222608809	ZINC000291775140	ref	6.41	-14.19	0	318.327	3.31	2	3	4	O=C(NCC1CC(F)(F)C1)Nc1cnc(-c2ccccc2)nc1
342081152	ZINC000625318615	low	10.04	-77.76	2	287.367	1.56	0	3	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1
222608840	ZINC000291776158	ref	6.04	-8.01	0	324.371	3.251	2	2	5	O=C(NCC1CC(F)(F)C1)N[C@H](c1ccccc1)[C@H]1CCCO1
342081153	ZINC000625318592	ref	2.58	-39.69	1	295.427	1.744	3	4	7	CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081154	ZINC000625318592	high	1.79	-8.6	0	295.427	1.744	3	5	7	CC[C@H](NC[C@@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081155	ZINC000625318315	ref	2.08	-39.63	1	257.374	1.057	3	3	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)[C@@H]1CCCOC1
342081156	ZINC000625318190	ref	3.33	-8.96	0	292.445	1.615	1	3	8	COCCN(C)S(=O)(=O)NCC[C@@H]1CCCC1(C)C
342081157	ZINC000625318907	ref	4.03	-43.34	1	251.359	1.555	1	5	6	CC[C@@H]([NH2+]CCc1cn(C)nn1)c1nccs1
342081158	ZINC000625318907	high	2.54	-11.41	0	251.359	1.555	1	6	6	CC[C@@H](NCCc1cn(C)nn1)c1nccs1
342081159	ZINC000625318757	ref	6.33	-48.43	1	290.367	1.575	1	5	6	C[C@H]([NH2+]CCOC1CCOCC1)c1nnc2ccccn12
342081160	ZINC000625318757	mid	4.98	-16.45	0	290.367	1.575	1	6	6	C[C@H](NCCOC1CCOCC1)c1nnc2ccccn12
342081161	ZINC000064320287	ref	4.2	-12.78	0	251.33	1.471	1	3	5	CCc1n[nH]cc1C(=O)N(CC)C[C@H]1CCOC1
342081162	ZINC000625318612	ref	3.88	-38.66	1	295.427	1.744	3	4	7	CC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081163	ZINC000625318612	high	2.59	-9.14	0	295.427	1.744	3	5	7	CC[C@@H](NC[C@H](O)CC1(O)CCC1)c1c(C)nn(C)c1C
342081164	ZINC000625318986	ref	4.75	-46.21	1	284.363	1.945	1	4	5	COc1cncc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)n1
342081165	ZINC000625318986	mid	5.1	-47.55	1	284.363	1.945	1	4	5	COc1cncc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)n1
342081166	ZINC000625318986	mid	2.16	-7.97	0	284.363	1.945	0	5	5	COc1cncc(CN2CC[C@@H](Cc3ccncc3)C2)n1
365620115	ZINC000623044033	ref	2.89	-14.22	0	323.389	1.619	3	5	8	COc1cc(CCCNC(=O)[C@@H](O)C2CCC2)cc(OC)c1O
365620120	ZINC000623042838	ref	5.58	-18.43	0	315.417	1.565	1	3	4	CC(=O)N1CC[C@@H](NC(=O)C[C@@H](C)N2CCc3ccccc32)C1
365620132	ZINC000623043633	ref	2.03	-16.96	0	311.378	1.619	3	5	9	CC[C@H](O)CC(=O)NCCCc1cc(OC)c(O)c(OC)c1
282123397	ZINC000151688278	ref	8.06	-18.39	0	323.397	2.402	1	5	7	CCC[C@H](C)[C@@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1
365620141	ZINC000623042411	ref	8.5	-55.12	1	318.446	1.821	1	4	6	C[NH+](C)CCn1ccc(C(=O)N2CC(Cc3ccsc3)C2)n1
365620148	ZINC000623042411	high	6.03	-12.45	0	318.446	1.821	0	5	6	CN(C)CCn1ccc(C(=O)N2CC(Cc3ccsc3)C2)n1
365620158	ZINC000623043874	ref	0.99	-14.11	0	312.329	1.863	2	5	5	NC(=O)C1(C(=O)Nc2ccc(Oc3cccnn3)cc2)CCC1
365620165	ZINC000623043169	ref	3.77	-15.33	0	303.366	1.037	0	6	5	COc1nc(C)cc(C)c1CN(C)C(=O)Cc1cnnn1C
365620173	ZINC000623043546	ref	0.25	-13.46	0	303.318	1.605	2	6	6	COC[C@](C)(O)C(=O)Nc1ccc(Oc2cccnn2)cc1
365620184	ZINC000623044898	ref	3.65	-7.89	0	317.424	1.952	1	3	5	C[C@@H](C(=O)N[C@@H](C(F)F)C1CCCCC1)N1CCN(C)CC1
365620190	ZINC000623044898	mid	5.96	-33.12	1	317.424	1.952	2	2	5	C[C@@H](C(=O)N[C@@H](C(F)F)C1CCCCC1)N1CC[NH+](C)CC1
365620198	ZINC000623044945	ref	6.62	-36.47	1	317.424	1.954	2	2	6	CC[NH+]1CCN(CC(=O)N[C@@H](C(F)F)C2CCCCC2)CC1
365620204	ZINC000623044945	mid	4.18	-6.52	0	317.424	1.954	1	3	6	CCN1CCN(CC(=O)N[C@@H](C(F)F)C2CCCCC2)CC1
365620215	ZINC000623043086	ref	5.22	-16.45	0	304.39	1.196	2	3	4	CC(=O)N1CC[C@@H](NC(=O)[C@H](O)[C@@H](C)c2ccc(C)cc2)C1
365620223	ZINC000623042338	ref	4.87	-15.2	0	315.46	1.818	0	4	5	C[C@H](C(=O)N1CC(Cc2ccsc2)C1)[C@@H](C)S(C)(=O)=O
365620229	ZINC000623044041	ref	1.55	-13.9	0	323.374	1.623	2	7	7	COc1cc(CCCNC(=O)c2csnn2)cc(OC)c1O
365620236	ZINC000623044826	ref	4.26	-21.46	0	315.32	1.279	2	4	5	O=C(Cn1ccc(=O)[nH]c1=O)N[C@H](C(F)F)C1CCCCC1
365620242	ZINC000623044147	ref	2.54	-14.05	0	309.362	1.229	3	5	8	COc1cc(CCCNC(=O)[C@H](O)C2CC2)cc(OC)c1O
133428579	ZINC000306475450	ref	0.48	-7.67	0	187.264	0.157	2	3	3	C=CCNC(=O)[C@@]1(O)CCSC1
365620248	ZINC000623042930	ref	3.47	-14.24	0	319.386	1.87	0	6	5	COc1ncnc(OC)c1C(=O)N1CC(Cc2ccsc2)C1
365620136	ZINC000354673556	ref	2.82	-9.67	0	273.311	1.845	2	3	5	Cc1ccncc1CN[C@@H](C(N)=O)c1ccc(F)cc1
365620143	ZINC000354673556	low	3.95	-46.53	1	273.311	1.845	2	2	5	Cc1ccncc1C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1
365620150	ZINC000639789753	ref	3.39	-11.02	0	253.371	1.634	1	4	5	CN(CC(=O)NC1CCCC1)Cc1ccns1
365620157	ZINC000354675525	ref	4.58	-21.59	0	299.29	1.107	1	7	3	COC(=O)c1cc(NC(=O)c2cnn3ccncc23)cn1C
365620163	ZINC000354674518	ref	3.06	-13.25	0	264.325	1.885	1	3	2	C[C@H]1[C@H](C)C[C@@H](C)CN1C(=O)c1coc(C(N)=O)c1
365620171	ZINC000354674443	ref	2.25	-15.02	0	294.277	1.951	2	4	6	CC[C@H](CC(F)(F)F)NC(=O)NCCc1nc(C)no1
365620178	ZINC000354674243	ref	5.51	-44.35	1	251.374	1.759	1	3	6	CCC1(C[NH2+]CCc2ccn(C)n2)CCOCC1
365620186	ZINC000354673358	ref	5.55	-6.07	0	296.411	1.707	1	3	4	CC(C)CC[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCO[C@H]1C
365620193	ZINC000354673359	ref	5.14	-5.96	0	296.411	1.707	1	3	4	CC(C)CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCO[C@H]1C
185089556	ZINC000096076818	ref	6.15	-41.75	1	278.396	2.132	1	3	2	Cc1ccc(CN2CCC[C@]3(COCC[N@@H+](C)C3)C2)o1
185089557	ZINC000096076818	mid	7.23	-38.69	1	278.396	2.132	1	3	2	Cc1ccc(CN2CCC[C@]3(COCC[N@H+](C)C3)C2)o1
197595358	ZINC000290100031	ref	2.55	-12.88	0	294.384	1.718	2	6	5	CCc1nnc(CNC(=O)Nc2cn(C)nc2CC)s1
365620201	ZINC000354675053	ref	2.95	-49.96	1	279.315	1.022	3	2	5	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(F)c1
342597249	ZINC000616976855	ref	6.99	-17.47	0	264.373	1.804	0	4	5	CC[C@@H](C)N(CC)C(=O)Cn1nnc2c1CCCC2
349535472	ZINC000618814673	ref	6.24	-25.03	0	292.314	1.38	0	5	5	C[C@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1cn(C)nn1
187169750	ZINC000125098010	ref	7.38	-41.41	1	282.334	2.279	2	1	3	C[C@H](C(=O)NC1CC[NH+](C)CC1)c1c(F)cccc1F
365620205	ZINC000354673356	ref	5.54	-5.91	0	296.411	1.707	1	3	4	CC(C)CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCO[C@@H]1C
365620211	ZINC000354675396	ref	0.58	-15.85	0	299.334	1.216	3	4	6	NC(=O)Nc1cccc(CNC(=O)CCc2cnccn2)c1
342597250	ZINC000616976728	ref	9.6	-15.86	0	261.329	1.693	0	5	4	CC[C@@H](C)N(CC)C(=O)c1nc2ncc(C)cn2n1
365620217	ZINC000639789767	ref	2.7	-16.48	0	268.367	1.67	1	6	5	CN(CC(=O)Nc1nccs1)Cc1ccns1
214188682	ZINC000337628639	mid	6.55	-38.29	1	279.384	0.694	1	2	4	CCC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1
365620224	ZINC000354674896	ref	4.4	-11.81	0	273.373	1.047	1	4	10	CC(C)OCCOC[C@H](O)CN(C)C(=O)CC1CC1
342081167	ZINC000625318697	ref	3.0	-37.66	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)co1
342081168	ZINC000625318697	mid	4.0	-32.35	1	279.34	1.382	1	4	3	COc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)co1
214188684	ZINC000337628639	high	4.45	-10.47	0	279.384	0.694	0	3	4	CCCN1CCC[C@H]1C(=O)N1CCN(C2CC2)C(=O)C1
365620140	ZINC000641589194	low	3.48	-37.68	1	270.336	1.601	1	4	3	Cn1nccc1C1=CCN(c2cc(CO)cc[nH+]2)CC1
214188688	ZINC000337631543	ref	2.33	-19.71	0	298.328	-0.36	3	8	7	Cn1cc(OCC(=O)Nc2n[nH]c(SCCO)n2)cn1
214188691	ZINC000337631543	mid	2.2	-17.21	0	298.328	-0.36	3	8	7	Cn1cc(OCC(=O)Nc2nc(SCCO)n[nH]2)cn1
214188695	ZINC000337631543	high	2.12	-55.76	-1	298.328	-0.36	2	8	7	Cn1cc(OCC(=O)Nc2nnc(SCCO)[n-]2)cn1
342081169	ZINC000625318697	high	0.56	-7.19	0	279.34	1.382	0	5	3	COc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)co1
342081170	ZINC000625318566	ref	5.76	-36.32	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cn1
214188697	ZINC000337631543	high	2.08	-55.89	-1	298.328	-0.36	2	8	7	Cn1cc(OCC(=O)Nc2nc(SCCO)n[n-]2)cn1
342081171	ZINC000625318566	mid	5.0	-36.89	1	289.383	1.217	2	4	3	CNc1cnc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)cn1
342081172	ZINC000625318566	high	3.76	-9.69	0	289.383	1.217	1	5	3	CNc1cnc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cn1
342081173	ZINC000625318013	ref	0.6	-41.26	1	265.357	1.516	2	4	6	COc1cncc(C[NH2+][C@@H](CO)C2CCCCC2)n1
342081174	ZINC000625318013	high	-0.36	-6.04	0	265.357	1.516	2	5	6	COc1cncc(CN[C@@H](CO)C2CCCCC2)n1
342081175	ZINC000625318652	ref	4.07	-48.24	1	264.329	1.318	1	5	8	COCC[C@@H]([NH2+]CCc1cn(C)nn1)c1ccco1
342081176	ZINC000625318652	high	2.85	-14.68	0	264.329	1.318	1	6	8	COCC[C@@H](NCCc1cn(C)nn1)c1ccco1
342081177	ZINC000625326830	ref	6.62	-17.71	0	295.289	1.665	1	4	6	Cc1cncn1CC(=O)NCCOc1ccc(F)cc1F
342081178	ZINC000625326830	mid	7.13	-39.77	1	295.289	1.665	1	3	6	Cc1c[nH+]cn1CC(=O)NCCOc1ccc(F)cc1F
342081179	ZINC000625327029	ref	3.85	-32.12	1	254.374	1.435	2	2	7	CCO[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)C1CC1
342081180	ZINC000625318845	ref	7.36	-49.07	1	271.368	1.317	1	4	5	Cn1cc(CC[N@@H+]2CC[C@@H](Cc3ccncc3)C2)nn1
342081181	ZINC000625318845	mid	7.36	-47.59	1	271.368	1.317	1	4	5	Cn1cc(CC[N@H+]2CC[C@@H](Cc3ccncc3)C2)nn1
342081182	ZINC000625318130	ref	3.24	-42.29	1	283.343	1.596	2	3	6	CO[C@H](C[N@H+](C)[C@@]1(CO)CCOC1)c1ccc(F)cc1
214188689	ZINC000278493539	ref	3.15	-7.14	0	319.38	2.535	1	5	5	C[C@H](O)[C@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
214188693	ZINC000278493539	mid	5.54	-39.71	1	319.38	2.535	2	4	5	C[C@H](O)[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1
214188696	ZINC000278493539	mid	5.51	-39.16	1	319.38	2.535	2	4	5	C[C@H](O)[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1
214188699	ZINC000278492858	ref	10.27	-43.39	1	312.442	3.189	1	4	6	Cc1nc(C)c(C#N)c(SCC[N@@H+](C)Cc2ccccc2)n1
342081183	ZINC000625318130	mid	3.58	-39.7	1	283.343	1.596	2	3	6	CO[C@H](C[N@@H+](C)[C@@]1(CO)CCOC1)c1ccc(F)cc1
349535473	ZINC000621496769	ref	7.25	-44.29	1	290.382	3.007	1	1	2	[NH3+]C1CCC(C(=O)N2CCC[C@H]2c2ccc(F)cc2)CC1
342081184	ZINC000625318130	mid	2.32	-6.22	0	283.343	1.596	1	4	6	CO[C@H](CN(C)[C@@]1(CO)CCOC1)c1ccc(F)cc1
185089558	ZINC000096076818	mid	6.76	-36.11	1	278.396	2.132	1	3	2	Cc1ccc(C[N@H+]2CCC[C@]3(COCCN(C)C3)C2)o1
185089559	ZINC000096076818	mid	6.59	-36.71	1	278.396	2.132	1	3	2	Cc1ccc(C[N@@H+]2CCC[C@]3(COCCN(C)C3)C2)o1
349535475	ZINC000621496540	ref	9.21	-11.11	0	296.361	3.49	1	1	5	Cc1cc(C)cc(CN(C)C(=O)NCC[C@@H]2CC2(F)F)c1
342081185	ZINC000625318308	ref	4.53	-16.09	0	264.373	1.169	1	4	3	Cc1cn2c(n1)CN(CC(=O)NCC(C)(C)C)CC2
214188703	ZINC000278492858	mid	10.27	-43.35	1	312.442	3.189	1	4	6	Cc1nc(C)c(C#N)c(SCC[N@H+](C)Cc2ccccc2)n1
342081186	ZINC000625318308	low	4.95	-29.13	1	264.373	1.169	1	3	3	Cc1cn2c([nH+]1)CN(CC(=O)NCC(C)(C)C)CC2
342088437	ZINC000121509355	mid	7.55	-36.46	1	291.395	1.836	1	3	3	CC1(C)C[C@H](NC(=O)Cn2c[nH+]c3c2CCCC3)CCO1
214188705	ZINC000278492858	high	7.94	-5.73	0	312.442	3.189	0	5	6	Cc1nc(C)c(C#N)c(SCCN(C)Cc2ccccc2)n1
342088438	ZINC000121525166	ref	5.39	-13.55	0	279.365	1.601	1	5	6	COCc1ccsc1C(=O)NCCc1cncn1C
214188708	ZINC000278492823	ref	6.66	-42.74	1	302.418	2.315	3	2	6	O=C(CCc1ccccc1O)NCC1CC[NH+](C2CC2)CC1
349535477	ZINC000621495509	ref	5.49	-11.06	0	293.317	3.012	3	1	5	O=C(NCC[C@@H]1CC1(F)F)NCc1cccc2cc[nH]c12
349535478	ZINC000621495773	ref	8.03	-10.73	0	278.421	3.041	1	2	5	Cc1ccsc1CCNC(=O)N1CC(CC2CC2)C1
214188712	ZINC000278493101	ref	7.7	-41.61	1	316.445	2.275	3	2	6	C[C@@](O)(CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1
349535480	ZINC000621496568	ref	4.16	-6.12	0	290.388	3.007	1	4	4	COc1cc(C(=O)NCc2c(C)cc(C)cc2C)sn1
185089560	ZINC000096076818	low	8.24	-101.49	2	278.396	2.132	2	2	2	Cc1ccc(C[NH+]2CCC[C@]3(COCC[N@@H+](C)C3)C2)o1
342597251	ZINC000590785394	ref	5.09	-12.06	0	275.283	1.376	1	3	1	Cc1cc(C#N)cc(NC(=O)C(=O)N2CC(C)(F)C2)c1
365620145	ZINC000576530464	ref	3.65	-18.76	0	247.302	1.493	3	3	4	CCc1[nH]nc(NC(=O)Cc2cc(C)n[nH]2)c1C
214188701	ZINC000337631543	high	2.09	-55.63	-1	298.328	-0.36	2	8	7	Cn1cc(OCC(=O)Nc2n[n-]c(SCCO)n2)cn1
342597252	ZINC000590786197	ref	10.17	-106.48	2	291.439	1.937	2	2	5	CC(C)[N@H+](C)CC1CC[NH+](Cc2ccn(C)c(=O)c2)CC1
185089561	ZINC000096076818	low	8.75	-97.56	2	278.396	2.132	2	2	2	Cc1ccc(C[NH+]2CCC[C@]3(COCC[N@H+](C)C3)C2)o1
342597253	ZINC000590786197	mid	10.16	-104.17	2	291.439	1.937	2	2	5	CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccn(C)c(=O)c2)CC1
342600570	ZINC000616999951	mid	5.87	-39.09	1	280.412	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@]23CCOC3)C1
342600571	ZINC000616999970	ref	5.5	-36.94	1	262.357	1.327	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1
197595380	ZINC000162847497	ref	7.73	-11.06	0	307.35	2.934	1	4	2	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1C[C@@H](C)OC(C)(C)C1
342600572	ZINC000616999970	mid	5.55	-37.13	1	262.357	1.327	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1
185089562	ZINC000096076818	low	8.75	-97.54	2	278.396	2.132	2	2	2	Cc1ccc(C[N@H+]2CCC[C@]3(COCC[NH+](C)C3)C2)o1
185089563	ZINC000096076818	low	8.57	-98.09	2	278.396	2.132	2	2	2	Cc1ccc(C[N@@H+]2CCC[C@]3(COCC[NH+](C)C3)C2)o1
185089564	ZINC000096076818	high	5.25	-4.75	0	278.396	2.132	0	4	2	Cc1ccc(CN2CCC[C@]3(COCCN(C)C3)C2)o1
342600573	ZINC000616999632	ref	4.25	-47.62	1	283.416	1.139	3	2	6	CNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
299072320	ZINC000358088142	mid	6.49	-43.26	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@H]1C
299072322	ZINC000358088142	mid	6.41	-43.5	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@H]1C
299072324	ZINC000358088142	high	4.05	-6.75	0	308.47	1.761	1	3	3	CCN1C[C@H](C)N(C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@H]1C
185089566	ZINC000096075189	ref	7.98	-25.66	1	289.423	2.628	2	1	3	CC(C)C(=O)N1CCCC12CC[NH+](Cc1ccc[nH]1)CC2
185089567	ZINC000096075189	mid	5.7	-6.46	0	289.423	2.628	1	2	3	CC(C)C(=O)N1CCCC12CCN(Cc1ccc[nH]1)CC2
349536205	ZINC000258945016	ref	6.59	-8.7	0	244.338	2.867	1	3	6	CC(C)Oc1ccc(CNCC2(C#N)CC2)cc1
342600574	ZINC000616999632	mid	4.24	-48.32	1	283.416	1.139	3	2	6	CNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214188706	ZINC000337629861	ref	6.63	-10.35	0	275.348	2.427	1	3	7	CCOc1ccc([C@H]2C[C@@H]2NC(=O)CCC(C)=O)cc1
214188709	ZINC000337630188	ref	1.21	-21.75	0	297.355	-0.035	1	6	7	CN(CCOCCO)C(=O)[C@@H]1CCO[C@@H]1c1cnn(C)c1
178304798	ZINC000062949151	ref	8.45	-48.88	1	243.354	2.966	1	2	1	Cc1cc2ncn([C@H]3CC[C@H](C)[NH2+]C3)c2cc1C
178304804	ZINC000062949151	low	8.93	-99.53	2	243.354	2.966	1	1	1	Cc1cc2[nH+]cn([C@H]3CC[C@H](C)[NH2+]C3)c2cc1C
398245929	ZINC000649444114	ref	7.15	-3.81	0	235.352	3.386	0	3	3	C=C(C)c1ccc(SC2CCOCC2)nc1
342597254	ZINC000590789508	ref	3.41	-14.07	0	273.34	1.167	0	6	3	COc1ccc2c(c1)CCCN(Cc1nnnn1C)C2
178304813	ZINC000019270861	ref	7.02	-11.11	0	238.294	2.62	1	4	1	Cc1cc2ncn(-c3ncccc3N)c2cc1C
342597255	ZINC000590789508	low	6.25	-53.23	1	273.34	1.167	1	5	3	COc1ccc2c(c1)CCC[N@@H+](Cc1nnnn1C)C2
342597256	ZINC000590789508	low	6.24	-53.08	1	273.34	1.167	1	5	3	COc1ccc2c(c1)CCC[N@H+](Cc1nnnn1C)C2
342597257	ZINC000616978627	ref	3.31	-21.97	0	289.339	1.089	1	5	5	CC[C@@H](C)N(CC)C(=O)c1ccnc2c(C(N)=O)cnn12
185089568	ZINC000096075394	ref	3.7	-16.58	0	274.324	0.704	0	4	1	CN1C(=O)CCC12CCN(C(=O)c1ccnnc1)CC2
185089569	ZINC000096075998	ref	7.92	-40.12	1	271.364	1.782	1	2	3	O=C(c1ccccn1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
178304818	ZINC000019266914	ref	7.67	-48.84	1	245.37	3.027	1	2	2	Cc1cc2ncn(C[C@@H]([NH3+])C(C)(C)C)c2cc1C
178304822	ZINC000019266914	low	8.15	-111.14	2	245.37	3.027	1	1	2	Cc1cc2[nH+]cn(C[C@@H]([NH3+])C(C)(C)C)c2cc1C
342597258	ZINC000616977379	ref	6.18	-23.26	0	265.357	1.507	0	4	5	CC[C@H](C)N(CC)C(=O)Cn1c(C)cc(C)nc1=O
342597259	ZINC000590789642	ref	4.51	-9.8	0	273.34	1.443	1	5	3	Cn1ncc2c(=O)[nH]c(CN3CCC[C@@H]3C3CC3)nc21
342597260	ZINC000590789642	mid	6.8	-49.22	1	273.34	1.443	2	4	3	Cn1ncc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3C3CC3)nc21
342597261	ZINC000590789642	mid	7.16	-49.44	1	273.34	1.443	2	4	3	Cn1ncc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3C3CC3)nc21
178304825	ZINC000122206927	ref	10.11	-14.63	0	240.31	2.435	0	4	2	Cc1cc2ncn(Cc3cncn3C)c2cc1C
342597262	ZINC000616977288	ref	3.62	-10.57	0	278.352	1.769	2	3	6	CC[C@H](C)N(CC)C(=O)CNC(=O)c1cccc(O)c1
342597263	ZINC000616977288	high	4.38	-51.51	-1	278.352	1.769	1	3	6	CC[C@H](C)N(CC)C(=O)CNC(=O)c1cccc([O-])c1
342597264	ZINC000616978113	ref	4.09	-47.13	-1	256.375	1.191	0	4	5	CC[C@@H](C)N(CC)C(=O)Cc1n[n-]c(=NC)s1
342081187	ZINC000625319824	ref	6.21	-45.3	1	264.373	1.106	1	4	4	Cn1cc(CC[NH+]2CCC([C@H]3CCOC3)CC2)nn1
342081188	ZINC000625319824	high	3.81	-10.96	0	264.373	1.106	0	5	4	Cn1cc(CCN2CCC([C@H]3CCOC3)CC2)nn1
342081189	ZINC000625320375	ref	4.35	-8.87	0	260.341	1.175	1	3	2	C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccnn1
342081190	ZINC000625320375	mid	5.79	-37.27	1	260.341	1.175	1	3	2	C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccnn1
342081191	ZINC000625320375	high	4.35	-8.87	0	260.341	1.175	0	4	2	CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccnn1
342081192	ZINC000625319918	ref	0.93	-6.4	0	253.346	1.834	2	5	7	CC(C)[C@@H](CCO)NCc1noc(C2CCC2)n1
342081193	ZINC000625319918	mid	1.9	-36.64	1	253.346	1.834	2	4	7	CC(C)[C@@H](CCO)[NH2+]Cc1noc(C2CCC2)n1
342081194	ZINC000625319750	ref	4.23	-43.54	1	277.368	1.734	1	4	4	COc1cncc(C[NH+]2CCC([C@H]3CCOC3)CC2)n1
342081195	ZINC000625319750	mid	1.12	-6.26	0	277.368	1.734	0	5	4	COc1cncc(CN2CCC([C@H]3CCOC3)CC2)n1
342081196	ZINC000625319227	ref	1.04	-39.18	1	283.368	1.613	3	4	9	COCC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccco1
342081197	ZINC000625319227	mid	-0.25	-7.47	0	283.368	1.613	3	5	9	COCC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccco1
342081198	ZINC000625320372	ref	3.32	-10.48	0	260.341	1.175	1	3	2	C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccnn1
342081199	ZINC000625320372	mid	6.49	-37.25	1	260.341	1.175	1	3	2	C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccnn1
342081200	ZINC000625320372	high	3.32	-10.48	0	260.341	1.175	0	4	2	CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cccnn1
342081201	ZINC000625320776	ref	1.94	-39.81	1	297.395	1.785	3	4	9	CCc1ccc([C@@H](COC)[NH2+]C[C@@H](O)CC2(O)CCC2)o1
342081202	ZINC000625320776	mid	0.69	-8.77	0	297.395	1.785	3	5	9	CCc1ccc([C@@H](COC)NC[C@@H](O)CC2(O)CCC2)o1
342081203	ZINC000625320203	ref	3.51	-40.33	1	297.443	1.563	3	2	7	CC(C)(C)CNC(=O)C[NH2+][C@H](CC(N)=O)C1CCCCC1
342081204	ZINC000625320203	high	3.11	-14.66	0	297.443	1.563	3	3	7	CC(C)(C)CNC(=O)CN[C@H](CC(N)=O)C1CCCCC1
214188713	ZINC000337630962	ref	6.39	-86.05	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12
342081205	ZINC000625319565	ref	5.43	-21.9	0	289.383	1.542	2	5	5	C[C@H](NCC(=O)NCC(C)(C)C)c1nnc2ccccn12
214188717	ZINC000337630962	mid	5.72	-85.74	2	266.389	0.618	4	1	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12
342081206	ZINC000625319565	low	6.69	-53.72	1	289.383	1.542	2	4	5	C[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1nnc2ccccn12
214188715	ZINC000278492628	ref	7.12	-10.83	0	318.461	3.435	2	2	7	Cc1ccc([C@@H]2C[C@H](C)N(C(=O)NCCCCCCO)C2)cc1
214188720	ZINC000278492193	ref	0.17	-12.14	0	311.329	2.151	3	4	5	C[C@H](NC(=O)NC[C@@H](C)CO)c1nc(C(F)(F)F)cs1
214188723	ZINC000278492429	ref	4.8	-6.63	0	318.398	2.381	2	4	2	C[C@@H]1COCC[C@@H]1NC(=O)C(=O)Nc1csc2ccccc12
214188726	ZINC000278491982	ref	8.12	-10.99	0	300.402	2.726	0	3	3	CN(C)c1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCC2=O)c1
214188729	ZINC000278493306	ref	5.26	-43.14	1	321.417	3.185	2	3	6	OCC[C@]1([NH2+]Cc2ccc(-c3ccccc3F)s2)CCOC1
342081207	ZINC000625319532	ref	4.65	-38.08	1	256.39	1.696	2	2	6	CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@H]1CCCO1
197595373	ZINC000290099781	ref	3.21	-5.96	0	271.752	1.277	1	6	2	C[C@H]1CN([C@@H](C)c2nc(N)nc(Cl)n2)C[C@@H](C)O1
185089570	ZINC000096075998	mid	8.0	-38.81	1	271.364	1.782	1	2	3	O=C(c1ccccn1)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
185089571	ZINC000096075998	high	4.88	-8.09	0	271.364	1.782	0	3	3	O=C(c1ccccn1)N1CC[C@@]2(CCN2CC2CC2)C1
185089572	ZINC000096075944	ref	3.2	-33.01	1	267.398	1.44	1	4	5	COCC[N@@H+]1CC[C@]12CCN(Cc1nccs1)C2
185089573	ZINC000096075944	mid	3.21	-34.68	1	267.398	1.44	1	4	5	COCC[N@H+]1CC[C@]12CCN(Cc1nccs1)C2
185089574	ZINC000096075944	mid	0.2	-4.1	0	267.398	1.44	0	5	5	COCCN1CC[C@]12CCN(Cc1nccs1)C2
185089575	ZINC000096077523	ref	7.05	-18.05	0	299.374	1.837	0	3	3	O=C(CC1CC1)N1CC[C@@]2(CC(=O)N(c3cccnc3)C2)C1
214188734	ZINC000278493306	high	4.25	-7.56	0	321.417	3.185	2	4	6	OCC[C@]1(NCc2ccc(-c3ccccc3F)s2)CCOC1
214188737	ZINC000278491909	ref	5.99	-46.21	1	320.437	2.915	1	4	3	C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cnccn1
214188741	ZINC000278491909	high	4.99	-9.38	0	320.437	2.915	1	5	3	C[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cnccn1
300267979	ZINC000337208350	mid	-1.84	-4.03	0	270.295	0.298	2	4	4	C[C@H]1CN(C[C@](C)(O)C(F)(F)F)CCN1CCO
342081208	ZINC000625319532	high	3.75	-6.95	0	256.39	1.696	2	3	6	CC[C@H](NCC(=O)NCC(C)(C)C)[C@H]1CCCO1
342081209	ZINC000625319488	ref	1.67	-40.14	1	251.33	1.532	1	4	6	CC[C@H]([NH2+]Cc1cncc(OC)n1)[C@H]1CCCO1
342081210	ZINC000625319488	high	0.72	-4.8	0	251.33	1.532	1	5	6	CC[C@H](NCc1cncc(OC)n1)[C@H]1CCCO1
342081211	ZINC000625319823	ref	6.07	-44.38	1	264.373	1.106	1	4	4	Cn1cc(CC[NH+]2CCC([C@@H]3CCOC3)CC2)nn1
342081212	ZINC000625319823	high	3.69	-11.19	0	264.373	1.106	0	5	4	Cn1cc(CCN2CCC([C@@H]3CCOC3)CC2)nn1
214188718	ZINC000337630962	mid	3.21	-42.08	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12
342081213	ZINC000625319479	ref	2.68	-15.57	0	288.417	1.544	1	5	7	CCn1nncc1CNS(=O)(=O)CCCC(C)(C)C
342081214	ZINC000625319872	ref	2.45	-40.09	1	283.368	1.531	3	4	8	COC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(C)o1
214188721	ZINC000337630962	mid	2.53	-40.36	1	266.389	0.618	3	2	4	O=C(NCCN1CCC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12
214188724	ZINC000337628212	ref	5.12	-49.45	1	279.34	0.854	3	3	5	COC(=O)c1c(C)[nH]c(C(=O)NCC[NH+]2CCC2)c1C
214188728	ZINC000337628212	mid	1.93	-14.05	0	279.34	0.854	2	4	5	COC(=O)c1c(C)[nH]c(C(=O)NCCN2CCC2)c1C
342081215	ZINC000625319872	mid	1.25	-8.53	0	283.368	1.531	3	5	8	COC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccc(C)o1
214188731	ZINC000337631701	ref	5.23	-47.27	1	275.352	0.824	2	2	5	CN(C)C(=O)c1ccc(C(=O)NCC[NH+]2CCC2)cc1
214188733	ZINC000337631701	mid	2.08	-12.79	0	275.352	0.824	1	3	5	CN(C)C(=O)c1ccc(C(=O)NCCN2CCC2)cc1
214188736	ZINC000337629437	ref	2.09	-13.58	0	286.328	-0.269	2	5	3	COC(=O)[C@H](O)C1CCN(C(=O)N[C@@H]2CCOC2)CC1
214188739	ZINC000337632074	ref	6.49	-39.76	1	267.417	2.35	3	1	6	C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC1CCC1
214188742	ZINC000337632074	mid	6.17	-40.34	1	267.417	2.35	3	1	6	C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC1CCC1
214188746	ZINC000337630504	ref	-0.15	-10.0	0	292.343	0.53	1	7	5	CN(C)Cc1nc(C(C)(C)NC(=O)c2cnn(C)c2)no1
214188748	ZINC000337630504	low	2.34	-47.64	1	292.343	0.53	2	6	5	Cn1cc(C(=O)NC(C)(C)c2noc(C[NH+](C)C)n2)cn1
168366232	ZINC000034940385	ref	1.15	-39.73	1	176.219	1.718	1	2	2	C[C@@H]([NH3+])Cc1nc2ccccc2o1
342081216	ZINC000625319534	ref	4.83	-33.47	1	256.39	1.696	2	2	6	CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@H]1CCCO1
342081217	ZINC000625319534	high	3.87	-7.64	0	256.39	1.696	2	3	6	CC[C@@H](NCC(=O)NCC(C)(C)C)[C@H]1CCCO1
342081218	ZINC000625319221	ref	2.31	-40.16	1	283.368	1.613	3	4	9	COCC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccco1
342081219	ZINC000625319221	mid	1.3	-6.56	0	283.368	1.613	3	5	9	COCC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccco1
342081220	ZINC000625319368	ref	5.64	-36.82	1	254.374	1.261	1	3	3	CC(C)(C)CNC(=O)CN1CCOCC2(CC2)C1
342081221	ZINC000625319368	mid	5.64	-36.79	1	254.374	1.261	2	2	3	CC(C)(C)CNC(=O)C[N@@H+]1CCOCC2(CC2)C1
342081222	ZINC000625319368	mid	5.64	-36.82	1	254.374	1.261	2	2	3	CC(C)(C)CNC(=O)C[N@H+]1CCOCC2(CC2)C1
342081223	ZINC000625319215	ref	2.31	-39.14	1	283.368	1.613	3	4	9	COCC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccco1
365620146	ZINC000641589098	ref	6.16	-11.06	0	289.762	1.819	1	2	1	O=C([C@H]1[C@H]2c3ccc(Cl)cc3C[C@H]21)N1C[C@@H]2C[C@]2(O)C1
365620156	ZINC000641589188	ref	3.24	-5.57	0	252.289	1.607	0	4	1	Fc1cnccc1N1CCO[C@]2(CCCOC2)C1
282123394	ZINC000176014368	high	5.79	-41.53	1	338.496	1.365	2	3	4	CN(C)C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCO1
365620162	ZINC000641589188	low	3.7	-40.31	1	252.289	1.607	0	3	1	Fc1c[nH+]ccc1N1CCO[C@]2(CCCOC2)C1
365620166	ZINC000641589171	ref	3.42	-10.69	0	286.375	1.026	1	3	2	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)N1CCc2ccccc2C1
342597265	ZINC000616978113	low	4.2	-11.21	0	256.375	1.191	1	4	5	CC[C@@H](C)N(CC)C(=O)Cc1n[nH]c(=NC)s1
342597266	ZINC000616977701	ref	6.06	-15.6	0	253.346	1.755	0	4	6	CC[C@@H](C)N(CC)C(=O)[C@@H](OC)c1cnn(C)c1
342597267	ZINC000616978110	ref	6.18	-16.25	0	253.298	1.909	0	4	5	CC[C@H](C)N(CC)C(=O)c1cc(=O)c(OC)co1
365620172	ZINC000641589171	mid	5.95	-41.06	1	286.375	1.026	2	2	2	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)[N@@H+]1CCc2ccccc2C1
342597268	ZINC000590789959	ref	4.25	-8.86	0	276.38	1.968	1	3	4	COc1ccc2c(c1)CCCN(CC(=O)NC(C)C)C2
197595395	ZINC000162844811	ref	2.79	-27.13	0	313.423	1.362	2	4	4	Cc1cc(=O)n(C)cc1NC(=O)NCC[S@@](=O)C(C)(C)C
342597269	ZINC000590789959	mid	6.61	-41.67	1	276.38	1.968	2	2	4	COc1ccc2c(c1)CCC[N@@H+](CC(=O)NC(C)C)C2
365620175	ZINC000641589171	mid	5.92	-41.02	1	286.375	1.026	2	2	2	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)[N@H+]1CCc2ccccc2C1
365620182	ZINC000641589135	ref	4.43	-14.11	0	270.332	1.612	2	2	2	Cc1cccc2[nH]cc(CC(=O)N3C[C@H]4C[C@@]4(O)C3)c12
342597270	ZINC000590789959	mid	6.61	-41.7	1	276.38	1.968	2	2	4	COc1ccc2c(c1)CCC[N@H+](CC(=O)NC(C)C)C2
342597271	ZINC000616977264	ref	1.69	-14.45	0	288.369	1.496	1	4	5	CC[C@H](C)N(CC)C(=O)c1cc(S(N)(=O)=O)oc1C
365620185	ZINC000641589039	ref	4.02	-11.97	0	253.342	1.175	1	3	3	CO[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)C1CCCCC1
197595405	ZINC000162838402	ref	4.04	-10.06	0	313.353	2.331	2	4	4	COc1ccc(CNC(=O)[C@@H]2OCCc3ccccc32)cc1O
365620192	ZINC000641589038	ref	4.03	-11.69	0	253.342	1.175	1	3	3	CO[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)C1CCCCC1
365620199	ZINC000641589169	ref	3.37	-10.46	0	286.375	1.026	1	3	2	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)N1CCc2ccccc2C1
342597272	ZINC000616978180	ref	5.23	-10.99	0	251.33	1.926	0	4	4	CC[C@@H](C)N(CC)C(=O)c1cc2n(n1)CCCO2
342597273	ZINC000616977520	ref	2.21	-8.82	0	269.301	1.157	2	4	5	CC[C@@H](C)N(CC)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC
222608813	ZINC000283726771	ref	8.41	-20.16	0	311.389	1.833	1	5	5	C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@H](C(N)=O)C1
214188738	ZINC000293629237	mid	7.73	-45.32	1	356.43	0.972	2	5	2	C[C@H]1CN(C(=O)C(=O)Nc2cccc(-c3nncn3C)c2)C[C@@H](C)[N@H+]1C
214188743	ZINC000293626875	ref	4.13	-13.73	0	361.377	0.895	1	6	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cc(C)cc(F)c1)C2
349535474	ZINC000618814437	ref	4.1	-25.48	0	290.323	1.104	0	6	5	COc1ccc(C(=O)N(C)Cc2cn(C)nn2)c(OC)c1
222608824	ZINC000283692498	ref	9.91	-19.94	0	317.437	1.769	1	5	6	C=C(C)Cn1c(CC2CC2)nnc1N1CC[C@](C)(C(=O)NC)C1
342081224	ZINC000625319215	mid	1.09	-7.47	0	283.368	1.613	3	5	9	COCC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccco1
222608845	ZINC000283696195	ref	5.71	-9.71	0	324.352	1.754	2	3	3	C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H]2CCSC2)c(F)c1
222608857	ZINC000283705915	ref	5.15	-10.13	0	316.357	1.274	1	4	5	C#CCN(C)C(=O)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1
222608860	ZINC000283726799	ref	9.59	-15.98	0	305.426	1.625	1	5	8	C=C(C)Cn1c(CC2CC2)nnc1N(C)C[C@@H](C)C(=O)NC
342081225	ZINC000625319533	ref	4.72	-38.69	1	256.39	1.696	2	2	6	CC[C@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H]1CCCO1
168366235	ZINC000034927093	ref	1.28	-108.08	2	128.219	0.476	2	0	1	C[C@@H]([NH3+])[C@@H]1CCCC[NH2+]1
222608868	ZINC000283726802	ref	8.99	-14.75	0	305.426	1.625	1	5	8	C=C(C)Cn1c(CC2CC2)nnc1N(C)C[C@H](C)C(=O)NC
342081226	ZINC000625319533	high	3.51	-8.15	0	256.39	1.696	2	3	6	CC[C@H](NCC(=O)NCC(C)(C)C)[C@@H]1CCCO1
342081227	ZINC000625320276	ref	3.92	-10.1	0	253.35	1.628	1	4	5	CCn1nncc1CNC(=O)N(C)C(C)(C)CC
342081228	ZINC000625319665	ref	5.94	-40.0	1	292.423	1.952	2	3	7	Cc1ccc(CN(CCO)CC(=O)NCC(C)(C)C)cc1
342081229	ZINC000625319665	mid	5.99	-39.41	1	292.423	1.952	3	2	7	Cc1ccc(C[N@H+](CCO)CC(=O)NCC(C)(C)C)cc1
342081230	ZINC000625319665	mid	5.94	-40.0	1	292.423	1.952	3	2	7	Cc1ccc(C[N@@H+](CCO)CC(=O)NCC(C)(C)C)cc1
342081231	ZINC000157761058	ref	1.36	-10.64	0	282.315	1.9	3	3	4	O=C(NCc1ccc(O)c(F)c1)NC[C@H]1CCCCO1
342081232	ZINC000157761058	high	2.12	-47.32	-1	282.315	1.9	2	3	4	O=C(NCc1ccc([O-])c(F)c1)NC[C@H]1CCCCO1
342081233	ZINC000625319528	ref	2.92	-45.94	1	298.427	1.596	2	3	8	NC(=O)C[C@@H]([NH2+]CCOC1CCOCC1)C1CCCCC1
342081234	ZINC000625319362	ref	0.58	-7.99	0	277.324	1.946	1	6	8	COCC[C@H](NCc1cncc(OC)n1)c1ccco1
342081235	ZINC000625319362	low	1.61	-44.87	1	277.324	1.946	1	5	8	COCC[C@H]([NH2+]Cc1cncc(OC)n1)c1ccco1
365620152	ZINC000576530464	mid	3.77	-19.54	0	247.302	1.493	3	3	4	CCc1[nH]nc(NC(=O)Cc2cc(C)[nH]n2)c1C
365620160	ZINC000576529894	ref	-1.68	-6.7	0	201.266	0.058	3	3	6	C=CC[C@@H](CO)NC(=O)C(C)(C)CO
365620168	ZINC000576530439	ref	3.46	-11.6	0	236.315	0.922	1	2	2	CC1=C[C@H](C)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)C1
199273133	ZINC000181264848	mid	2.86	-9.82	0	300.399	1.897	1	3	7	CCN(CCNS(=O)(=O)c1cccc(C)c1F)C1CC1
365620174	ZINC000576530515	ref	1.31	-18.54	0	228.267	0.505	2	2	3	NC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H]1CC[C@@H](F)C1
365620183	ZINC000576531231	ref	1.86	-9.6	0	231.336	1.278	1	3	7	CCC(CC)(CO)C(=O)N(C)C[C@@H](C)OC
306234476	ZINC000557850982	ref	1.13	-18.75	0	349.499	1.512	1	5	5	CSc1ccccc1S(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1
365620191	ZINC000576531083	ref	3.88	-41.68	1	222.248	0.037	2	5	3	COC(=O)c1cncnc1N[C@H]1CC[NH2+]C1
365620197	ZINC000576530395	ref	1.8	-18.97	0	232.186	-0.485	1	3	2	CN1C(=O)C[C@@H](NC(=O)[C@@H]2CC2(F)F)C1=O
365620208	ZINC000576529652	ref	4.4	-47.45	1	225.336	1.036	2	1	1	C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@H]1C
365620214	ZINC000576531430	ref	1.98	-14.81	0	213.237	-0.596	2	4	3	COC(C)(C)CC(=O)NC1=NCC(=O)N1
365620222	ZINC000576530879	ref	3.11	-38.22	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)C1
342081236	ZINC000625320779	ref	3.23	-39.93	1	297.395	1.785	3	4	9	CCc1ccc([C@@H](COC)[NH2+]C[C@H](O)CC2(O)CCC2)o1
342081237	ZINC000625320779	mid	2.03	-8.35	0	297.395	1.785	3	5	9	CCc1ccc([C@@H](COC)NC[C@H](O)CC2(O)CCC2)o1
365620226	ZINC000576530879	mid	3.2	-38.72	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)C1
282123396	ZINC000268174316	ref	6.52	-14.55	0	308.744	2.124	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc(Cl)c1)CC2
282123402	ZINC000171328126	ref	6.98	-14.9	0	325.199	2.638	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)ccc1Cl)CC2
365620231	ZINC000576530879	mid	0.81	-10.28	0	240.347	0.604	2	3	3	C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@@H](O)C2(C)C)C1
365620234	ZINC000576529687	ref	3.04	-11.17	0	217.334	0.97	1	3	5	CN1CCC[C@@H](CSCCCO)C1=O
214188744	ZINC000278492103	ref	6.45	-39.29	1	324.38	1.648	2	3	7	O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H](CO)c1ccccc1
365620241	ZINC000576529837	ref	4.67	-13.13	0	221.216	-0.108	0	6	2	Cc1nocc1Cn1c(=O)ccn(C)c1=O
342081238	ZINC000625319874	ref	1.16	-39.96	1	283.368	1.531	3	4	8	COC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(C)o1
365620246	ZINC000576530264	ref	9.42	-14.85	0	243.31	1.725	0	4	3	Cc1ccc(CN(C)c2cc(=O)n(C)cn2)cc1
365620254	ZINC000576530967	ref	3.99	-9.51	0	245.33	1.619	2	4	3	Cc1ncc(CN[C@H]2CCCc3c[nH]nc32)n1C
214188745	ZINC000053573884	ref	5.5	-15.57	0	335.385	3.139	2	5	6	C[C@@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1
214188751	ZINC000053582116	ref	8.01	-18.27	0	343.452	2.881	2	4	5	CN(CCNC(=S)Nc1ccc2c(c1)OCCO2)c1ccccc1
342081239	ZINC000625319874	mid	-0.1	-9.04	0	283.368	1.531	3	5	8	COC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(C)o1
214188755	ZINC000053580032	ref	8.58	-52.51	1	328.445	2.203	2	6	4	Cc1nc(NCC[N@@H+]2CCc3sccc3C2)c2cnn(C)c2n1
214188759	ZINC000053580032	mid	8.58	-52.5	1	328.445	2.203	2	6	4	Cc1nc(NCC[N@H+]2CCc3sccc3C2)c2cnn(C)c2n1
214188761	ZINC000053580032	mid	6.08	-10.92	0	328.445	2.203	1	7	4	Cc1nc(NCCN2CCc3sccc3C2)c2cnn(C)c2n1
342081240	ZINC000625320397	ref	3.9	-39.32	1	257.374	1.587	1	3	6	C[C@H]([NH2+]CCOC1CCOCC1)[C@H]1CCCOC1
214188765	ZINC000053577289	ref	9.85	-16.57	0	337.309	2.046	0	7	4	Cn1ccnc1CN(c1ccc2nnc(C(F)(F)F)n2n1)C1CC1
214188768	ZINC000053577289	low	10.36	-52.74	1	337.309	2.046	0	6	4	Cn1cc[nH+]c1CN(c1ccc2nnc(C(F)(F)F)n2n1)C1CC1
343994235	ZINC000599271712	ref	0.82	-13.2	0	295.408	1.646	1	6	6	CN(Cc1cscn1)C[C@H](O)CC1(C#N)CCOCC1
343994239	ZINC000599271712	low	3.24	-48.84	1	295.408	1.646	2	5	6	C[N@@H+](Cc1cscn1)C[C@H](O)CC1(C#N)CCOCC1
214188772	ZINC000053572039	ref	7.38	-9.69	0	335.408	0.968	2	7	5	C[C@H]1CCCC[C@@H]1OCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C
214188777	ZINC000053557977	ref	1.47	-12.28	0	344.209	1.564	3	3	5	CNC(=O)CNC(=O)N[C@H](C)c1ccc(OC)c(Br)c1
214188781	ZINC000053575072	ref	8.54	-11.8	0	330.815	2.987	0	3	4	CN(CCc1ccccn1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1
214188787	ZINC000053556471	ref	3.41	-17.88	0	333.797	1.244	1	7	5	COC(=O)c1sc(NCCC(=O)N2CCOCC2)nc1Cl
214188795	ZINC000053564009	ref	8.36	-51.78	1	345.418	2.491	2	2	3	O=C(c1cc2c(F)cccc2[nH]1)N1CCC(C[NH+]2CCOCC2)CC1
214188799	ZINC000053564009	mid	6.29	-12.59	0	345.418	2.491	1	3	3	O=C(c1cc2c(F)cccc2[nH]1)N1CCC(CN2CCOCC2)CC1
214188803	ZINC000053580525	ref	7.95	-12.22	0	326.378	3.337	0	7	4	O=[N+]([O-])c1ccc(Sc2nnc(N3CCCC3)s2)c(F)c1
214188809	ZINC000053557876	ref	5.59	-14.2	0	331.825	1.936	1	6	4	CCNC(=O)C1CCN(c2nc(Cl)c(C(=O)OC)s2)CC1
342081241	ZINC000625319312	ref	2.23	-9.6	0	253.327	1.998	1	6	7	COCC[C@@H](NCc1cnns1)c1ccco1
342081242	ZINC000625319312	low	3.47	-48.58	1	253.327	1.998	1	5	7	COCC[C@@H]([NH2+]Cc1cnns1)c1ccco1
342081243	ZINC000625319873	ref	2.44	-39.66	1	283.368	1.531	3	4	8	COC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccc(C)o1
342081244	ZINC000625319873	mid	1.15	-8.45	0	283.368	1.531	3	5	8	COC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccc(C)o1
214188747	ZINC000293624064	ref	-1.13	-15.87	0	372.443	0.402	3	6	7	CC[C@H](O)CNC(=O)[C@H](C)NS(=O)(=O)c1ccc2c(c1)OCCCO2
214188752	ZINC000293630160	ref	0.97	-10.4	0	360.399	0.765	1	8	2	Cc1noc([C@H]2CN(C(=O)C(=O)Nc3sccc3C#N)CCN2C)n1
136229384	ZINC000293346730	low	4.78	-41.07	1	248.326	2.309	1	2	6	C=C(C)C[C@@H](C)C(=O)NCc1c[nH+]ccc1OC
136229385	ZINC000195253716	ref	4.73	-90.87	2	225.336	0.004	2	1	3	CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
214188757	ZINC000293631371	ref	4.65	-17.58	0	370.413	0.688	2	5	2	N#Cc1ccc(NC(=O)C(=O)N[C@H]2CCCN(C(=O)N3CCCC3)C2)nc1
214188764	ZINC000293631517	ref	3.55	-28.18	0	363.439	0.869	1	6	4	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)Cn1c(=O)cnc2ccccc21
178304828	ZINC000122206927	mid	10.62	-43.21	1	240.31	2.435	0	3	2	Cc1cc2ncn(Cc3c[nH+]cn3C)c2cc1C
178304830	ZINC000122206927	low	11.1	-91.87	2	240.31	2.435	0	2	2	Cc1cc2[nH+]cn(Cc3c[nH+]cn3C)c2cc1C
178304833	ZINC000000369113	ref	6.94	-6.58	0	242.2	2.856	0	3	0	Cc1cc2ncn(C(=O)C(F)(F)F)c2cc1C
214188767	ZINC000293631243	ref	5.13	-24.46	0	352.412	0.26	0	5	3	CN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)[C@@H]1CCN(S(C)(=O)=O)C1
214188771	ZINC000293631373	ref	4.67	-21.23	0	370.413	0.688	2	5	2	N#Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)nc1
178304838	ZINC000130778167	ref	5.03	-19.99	0	245.282	1.762	1	4	2	Cc1cc2ncn(C[C@@H]3CNC(=O)O3)c2cc1C
342081245	ZINC000625319460	ref	3.9	-42.94	1	282.384	1.998	3	4	7	CC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1c(C)noc1C
168366238	ZINC000034927093	mid	0.96	-33.11	1	128.219	0.476	2	1	1	C[C@@H](N)[C@@H]1CCCC[NH2+]1
342081246	ZINC000625319460	high	2.75	-6.29	0	282.384	1.998	3	5	7	CC[C@H](NC[C@H](O)CC1(O)CCC1)c1c(C)noc1C
342081247	ZINC000625319489	ref	1.74	-39.6	1	251.33	1.532	1	4	6	CC[C@H]([NH2+]Cc1cncc(OC)n1)[C@@H]1CCCO1
342081248	ZINC000625319489	high	0.51	-5.08	0	251.33	1.532	1	5	6	CC[C@H](NCc1cncc(OC)n1)[C@@H]1CCCO1
342081249	ZINC000625320396	ref	3.99	-39.03	1	257.374	1.587	1	3	6	C[C@H]([NH2+]CCOC1CCOCC1)[C@@H]1CCCOC1
342081250	ZINC000625320003	ref	4.85	-17.64	0	258.321	1.444	1	2	2	C[C@@H](C(=O)N1Cc2ccccc2C1)[C@@H]1CCC(=O)N1
282123399	ZINC000334640338	ref	7.16	-38.44	1	295.427	1.681	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC3(CC2)CC3)CCO1
365620206	ZINC000641589169	mid	5.85	-40.21	1	286.375	1.026	2	2	2	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)[N@@H+]1CCc2ccccc2C1
365620209	ZINC000641589169	mid	5.96	-39.72	1	286.375	1.026	2	2	2	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)[N@H+]1CCc2ccccc2C1
365620216	ZINC000641589006	ref	2.04	-19.94	0	283.23	1.215	1	4	1	O=C(c1cccc2c1OC(F)(F)O2)N1C[C@H]2C[C@@]2(O)C1
342597274	ZINC000616977520	mid	0.39	-43.48	-1	269.301	1.157	1	4	5	CC[C@@H](C)N(CC)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC
365620228	ZINC000641588937	ref	2.21	-15.48	0	270.288	1.147	2	3	1	O=C(c1cccc2cc(=O)[nH]cc12)N1C[C@H]2C[C@@]2(O)C1
365620232	ZINC000641589044	ref	5.03	-14.82	0	261.321	1.105	1	3	4	Cc1ccccc1COCC(=O)N1C[C@H]2C[C@@]2(O)C1
365620237	ZINC000479692161	ref	2.73	-13.28	0	285.388	1.099	2	3	7	C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(C)CCC(N)=O
342597275	ZINC000590791505	ref	8.09	-43.71	1	272.352	1.419	1	4	4	Cn1cc([C@H]2CCC[N@@H+]2CCn2ccccc2=O)cn1
342597276	ZINC000590791505	mid	7.36	-47.16	1	272.352	1.419	1	4	4	Cn1cc([C@H]2CCC[N@H+]2CCn2ccccc2=O)cn1
342597277	ZINC000590791505	mid	5.71	-18.73	0	272.352	1.419	0	5	4	Cn1cc([C@H]2CCCN2CCn2ccccc2=O)cn1
365620244	ZINC000641588916	ref	3.4	-12.28	0	259.305	1.217	1	3	1	C[C@@H]1Cc2cc(C(=O)N3C[C@@H]4C[C@]4(O)C3)ccc2O1
365620251	ZINC000641588856	ref	4.39	-12.75	0	253.342	1.317	1	3	4	CC[C@H](OC1CCCC1)C(=O)N1C[C@@H]2C[C@]2(O)C1
365620255	ZINC000641589009	ref	2.03	-18.97	0	283.23	1.215	1	4	1	O=C(c1cccc2c1OC(F)(F)O2)N1C[C@@H]2C[C@]2(O)C1
365620262	ZINC000641588994	ref	7.58	-42.29	1	253.39	1.866	1	1	2	CCN(CC)C(=O)N1CCC2(CC[NH+](C)CC2)C1
365620270	ZINC000641588922	ref	5.75	-14.9	0	282.343	1.899	1	3	2	Cn1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1-c1ccccc1
365620282	ZINC000641589208	ref	2.88	-10.09	0	298.408	1.41	0	4	3	COc1ccccc1S(=O)(=O)N1CCN(C)C(C)(C)C1
365620289	ZINC000641589208	low	5.05	-41.92	1	298.408	1.41	1	3	3	COc1ccccc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365620295	ZINC000641589208	low	5.09	-41.59	1	298.408	1.41	1	3	3	COc1ccccc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365620302	ZINC000641588940	ref	2.15	-8.85	0	297.152	1.359	1	3	1	Cc1c(Br)cncc1C(=O)N1C[C@H]2C[C@@]2(O)C1
342597278	ZINC000616977729	ref	5.21	-9.59	0	262.313	1.924	2	3	4	CC[C@H](C)N(CC)C(=O)c1ccc2[nH]c(=O)[nH]c2n1
365620307	ZINC000479692163	ref	2.72	-13.51	0	285.388	1.099	2	3	7	C[C@H]1CCCC[C@H]1OCCNC(=O)N(C)CCC(N)=O
365620210	ZINC000625022783	ref	7.02	-19.43	0	320.776	2.366	1	3	3	CNC(=O)[C@H]1CCCN1C(=O)Cc1coc2cc(Cl)ccc12
197595408	ZINC000162837294	ref	7.67	-14.0	0	307.415	2.404	0	4	5	COc1ccc(C(C)=O)cc1CC(=O)N(C)[C@@H]1CCSC1
365620221	ZINC000625020656	ref	6.34	-9.73	0	308.422	2.156	1	3	3	O=C(NC[C@@H]1CCCC12CC2)N1CCO[C@@H]([C@H]2CCCO2)C1
365620225	ZINC000625021404	ref	7.15	-15.4	0	318.343	2.421	1	4	4	CC(C)c1nnc2n1C[C@H](NC(=O)C[C@H](C)C(F)(F)F)CC2
306234477	ZINC000557845277	ref	2.86	-11.93	0	343.449	1.076	0	6	2	Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1
306234478	ZINC000557844664	ref	2.98	-16.76	0	346.497	1.137	2	3	5	CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCC2(C)CCCC2)C1
365620230	ZINC000625020572	ref	6.02	-12.59	0	320.393	2.056	1	7	9	CCOCCCn1c(-c2ccc(CO)o2)nnc1N(C)C1CC1
365620235	ZINC000625022352	ref	6.92	-12.45	0	316.409	2.083	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CC2CC1(C)C2
342597279	ZINC000590791172	ref	2.94	-9.33	0	261.329	1.703	0	6	4	CCc1noc(CN2CCC[C@H]2c2cnn(C)c2)n1
365620243	ZINC000625020668	ref	6.14	-16.29	0	303.41	2.301	2	4	3	Cc1nc2n(n1)CCC[C@@H]2NC(=O)NC[C@@H]1CCCC12CC2
365620247	ZINC000625020654	ref	6.35	-8.56	0	308.422	2.156	1	3	3	O=C(NC[C@@H]1CCCC12CC2)N1CCO[C@H]([C@@H]2CCCO2)C1
365620256	ZINC000625021307	ref	7.2	-11.08	0	316.409	2.083	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@H]2CCC[C@H]21
365620268	ZINC000625020703	ref	6.55	-11.54	0	307.438	2.123	2	2	3	CC(=O)N1CC[C@H](NC(=O)NC[C@@H]2CCCC23CC3)[C@H](C)C1
342597280	ZINC000590791172	low	5.48	-41.22	1	261.329	1.703	1	5	4	CCc1noc(C[N@@H+]2CCC[C@H]2c2cnn(C)c2)n1
365620275	ZINC000625021423	ref	3.95	-9.12	0	306.328	2.275	2	2	2	O=C(NC[C@@H]1CCCC12CC2)N1CC[C@](O)(C(F)(F)F)C1
365620281	ZINC000625022456	ref	8.03	-18.24	0	300.402	2.307	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1
365620291	ZINC000625021305	ref	5.74	-12.46	0	316.409	2.083	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@@H]2CCC[C@@H]21
365620300	ZINC000625022072	ref	6.29	-13.03	0	315.41	2.197	0	3	7	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N(C)C1CCC1
342597281	ZINC000590791172	low	4.55	-38.63	1	261.329	1.703	1	5	4	CCc1noc(C[N@H+]2CCC[C@H]2c2cnn(C)c2)n1
365620308	ZINC000625020704	ref	6.54	-11.54	0	307.438	2.123	2	2	3	CC(=O)N1CC[C@H](NC(=O)NC[C@H]2CCCC23CC3)[C@H](C)C1
365620317	ZINC000625021380	ref	5.37	-14.74	0	307.438	2.254	2	2	5	NC(=O)CCC1CCN(C(=O)NC[C@H]2CCCC23CC3)CC1
168364958	ZINC000368499191	high	7.04	-11.91	0	326.396	3.219	2	4	6	O=C1CC[C@H](NCc2ccc(Oc3ccccc3)o2)[C@H](C2CC2)N1
342081251	ZINC000625320778	ref	3.24	-39.6	1	297.395	1.785	3	4	9	CCc1ccc([C@H](COC)[NH2+]C[C@H](O)CC2(O)CCC2)o1
214188749	ZINC000278493917	ref	4.45	-8.1	0	317.776	2.946	1	4	3	COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cnc(Cl)cn1
342081252	ZINC000625320778	mid	1.93	-8.36	0	297.395	1.785	3	5	9	CCc1ccc([C@H](COC)NC[C@H](O)CC2(O)CCC2)o1
342081253	ZINC000625319105	ref	6.96	-47.02	1	254.374	1.354	1	2	4	CCO[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C
282123400	ZINC000151688415	ref	8.07	-18.41	0	323.397	2.402	1	5	7	CCC[C@H](C)[C@H]1CCCN1C(=O)NCCn1cc([N+](=O)[O-])cn1
222608846	ZINC000170625197	ref	6.01	-13.49	0	370.453	2.183	3	3	8	CC(C)CCNC(=O)C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O
214188758	ZINC000278493454	ref	5.53	-9.83	0	315.782	2.314	0	7	7	COC[C@H](OC(=O)CCn1cc(Cl)cn1)c1nccs1
214188762	ZINC000278492564	ref	6.32	-16.3	0	323.732	2.805	1	5	4	COC(=O)c1[nH]ccc1OCc1cc(Cl)c2c(c1)OCCO2
214188769	ZINC000278493795	ref	8.15	-17.62	0	312.413	2.596	1	3	4	Cc1ccc(C(C)(C)C(=O)NCc2ccc(C)n(C)c2=O)cc1
342081254	ZINC000625319105	mid	7.37	-44.73	1	254.374	1.354	1	2	4	CCO[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C
342081255	ZINC000625319105	high	5.29	-9.44	0	254.374	1.354	0	3	4	CCO[C@H](C(=O)N1CCN2CCC[C@@H]2C1)C(C)C
342081256	ZINC000625320373	ref	3.22	-8.24	0	260.341	1.175	1	3	2	C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccnn1
214188774	ZINC000278493964	ref	2.9	-9.55	0	309.32	3.005	1	6	5	FC(F)c1nnc(NCc2ccnc(N3CCCCC3)c2)o1
214188776	ZINC000278493964	low	3.23	-38.03	1	309.32	3.005	1	5	5	FC(F)c1nnc(NCc2cc[nH+]c(N3CCCCC3)c2)o1
342081257	ZINC000625320373	mid	6.52	-33.41	1	260.341	1.175	1	3	2	C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccnn1
214188779	ZINC000278493870	ref	6.02	-12.97	0	322.449	2.958	2	3	11	COCCN(C(=O)NCCCCCCO)[C@@H](C)c1ccccc1
342081258	ZINC000625320373	high	3.22	-8.24	0	260.341	1.175	0	4	2	CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccnn1
342081259	ZINC000625319527	ref	3.28	-40.44	1	298.427	1.596	2	3	8	NC(=O)C[C@H]([NH2+]CCOC1CCOCC1)C1CCCCC1
342081260	ZINC000625319455	ref	3.9	-42.03	1	282.384	1.998	3	4	7	CC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1c(C)noc1C
342081261	ZINC000625319455	high	3.37	-6.39	0	282.384	1.998	3	5	7	CC[C@@H](NC[C@H](O)CC1(O)CCC1)c1c(C)noc1C
282123403	ZINC000151691630	ref	6.85	-17.38	0	315.421	2.014	1	5	6	CCn1nccc1/C=C/C(=O)N[C@@H](C)Cc1c(C)nn(C)c1C
282123406	ZINC000151683229	ref	4.03	-12.83	0	319.401	2.004	2	4	7	CCOc1ccccc1/C=C/C(=O)NCC1(CO)CCOCC1
214188756	ZINC000337630794	ref	7.89	-12.74	0	277.372	2.161	2	4	3	Cc1cc(N(C)C)nc(NC(=O)N[C@@H]2CC[C@H](C)C2)n1
214188760	ZINC000337628484	ref	1.42	-43.52	-1	271.284	0.315	2	6	5	O=c1[n-]c(CCCNc2ncnc3ccncc23)n[nH]1
214188763	ZINC000337628484	low	2.58	-16.67	0	271.284	0.315	3	6	5	O=c1[nH]nc(CCCNc2ncnc3ccncc23)[nH]1
214188766	ZINC000337632137	ref	5.44	-12.19	0	291.416	2.394	2	3	6	CCSc1ccc(CC(=O)N[C@H]2C=C[C@H](CO)C2)cc1
365620233	ZINC000354675373	ref	3.95	-45.01	1	295.427	1.331	3	2	8	CCCC1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCC1
214188773	ZINC000337629461	ref	8.76	-15.85	0	290.75	3.315	1	3	5	CCc1cccnc1NC(=O)COc1ccc(Cl)cc1
214188778	ZINC000337632222	ref	3.26	-17.77	0	299.371	0.054	1	4	3	COCC(=O)N1CCC(NC(=O)N2CCOC[C@@H]2C)CC1
214188780	ZINC000337632248	ref	3.81	-11.94	0	267.329	0.561	1	5	6	Cn1cc(OCC(=O)N(CC(C)(C)O)C2CC2)cn1
342597282	ZINC000616978354	ref	4.44	-11.6	0	263.403	1.703	0	3	6	CC[C@H](C)N(CC)C(=O)[C@@H](C)[C@@H](C)S(C)(=O)=O
214188788	ZINC000337628452	ref	7.08	-41.07	1	267.417	2.35	3	1	5	C[C@@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1
342597283	ZINC000616978308	ref	4.54	-12.59	0	299.415	1.04	2	3	9	CC[C@H](C)N(CC)C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C
342597284	ZINC000616977430	ref	4.61	-11.22	0	254.374	1.925	1	2	5	CC[C@H](C)N(CC)C(=O)[C@H]1CCC[C@H](C(N)=O)C1
342597285	ZINC000616977263	ref	1.49	-14.65	0	288.369	1.496	1	4	5	CC[C@@H](C)N(CC)C(=O)c1cc(S(N)(=O)=O)oc1C
185089579	ZINC000096076580	ref	6.36	-40.14	1	296.392	0.921	1	4	1	C[N@@H+]1CCOC[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1
214188793	ZINC000337629360	ref	6.04	-15.16	0	286.326	2.101	1	3	4	C[C@H](Cn1cccn1)NC(=O)N1CCCC[C@H]1C(F)F
214188797	ZINC000337628928	ref	6.75	-9.9	0	296.729	3.268	1	3	4	CCc1noc(C)c1C(=O)NCc1ccc(F)c(Cl)c1
282123410	ZINC000151691179	ref	5.17	-12.52	0	323.396	2.078	3	4	7	C[C@@H](NC(=O)CNc1cccc(C#N)c1)[C@@H](O)Cc1ccccc1
342597286	ZINC000616978730	ref	4.81	-7.85	0	256.39	1.602	0	3	6	CC[C@H](C)N(CC)C(=O)[C@@H](C)CN1CCOCC1
342597287	ZINC000616978730	mid	7.04	-39.25	1	256.39	1.602	1	2	6	CC[C@H](C)N(CC)C(=O)[C@@H](C)C[NH+]1CCOCC1
342597288	ZINC000616978353	ref	4.29	-10.78	0	263.403	1.703	0	3	6	CC[C@H](C)N(CC)C(=O)[C@@H](C)[C@H](C)S(C)(=O)=O
342081262	ZINC000625319748	ref	4.1	-43.33	1	277.368	1.734	1	4	4	COc1cncc(C[NH+]2CCC([C@@H]3CCOC3)CC2)n1
342081263	ZINC000625319748	mid	1.01	-5.77	0	277.368	1.734	0	5	4	COc1cncc(CN2CCC([C@@H]3CCOC3)CC2)n1
349535476	ZINC000618815282	ref	7.17	-9.76	0	288.326	1.658	0	4	4	CN(Cc1cn(C)nn1)C(=O)[C@H]1C[C@@]1(F)c1ccccc1
342081264	ZINC000625319233	ref	1.04	-39.98	1	283.368	1.613	3	4	9	COCC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccco1
342081265	ZINC000625319233	mid	-0.05	-7.34	0	283.368	1.613	3	5	9	COCC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccco1
342081266	ZINC000625320171	ref	2.76	-40.54	1	284.4	1.062	2	3	9	CCO[C@@H](C[NH2+][C@@H](CC(N)=O)C1CCOCC1)C1CC1
185089580	ZINC000096076580	mid	5.78	-39.24	1	296.392	0.921	1	4	1	C[N@H+]1CCOC[C@@]2(CN(C(=O)c3ccsc3)CCO2)C1
185089581	ZINC000096076580	high	3.45	-9.18	0	296.392	0.921	0	5	1	CN1CCOC[C@]2(C1)CN(C(=O)c1ccsc1)CCO2
214188775	ZINC000293625004	ref	4.13	-19.52	0	351.334	0.968	1	5	4	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1
214188782	ZINC000293620601	ref	4.78	-21.12	0	365.415	0.397	1	7	4	Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)nn1C
342081267	ZINC000625319467	ref	5.68	-51.58	1	263.345	1.703	1	5	6	CC[C@H]([NH2+]CCc1cn(C)nn1)c1c(C)noc1C
306234479	ZINC000557849927	ref	2.24	-20.06	0	331.459	1.239	1	4	5	Cc1ccccc1CS(=O)(=O)NC[C@@H]1CCCS(=O)(=O)C1
342081268	ZINC000625319467	high	4.5	-12.1	0	263.345	1.703	1	6	6	CC[C@H](NCCc1cn(C)nn1)c1c(C)noc1C
342081269	ZINC000625319098	ref	-0.4	-8.54	0	263.297	1.555	1	6	7	COC[C@H](NCc1cncc(OC)n1)c1ccco1
342081270	ZINC000625319098	low	0.93	-44.27	1	263.297	1.555	1	5	7	COC[C@H]([NH2+]Cc1cncc(OC)n1)c1ccco1
342081271	ZINC000625319185	ref	3.02	-16.87	0	294.38	1.226	1	5	6	CCn1nncc1CNS(=O)(=O)Cc1ccccc1C
342081272	ZINC000625319309	ref	2.43	-8.55	0	253.327	1.998	1	6	7	COCC[C@H](NCc1cnns1)c1ccco1
342081273	ZINC000625319309	low	3.47	-48.97	1	253.327	1.998	1	5	7	COCC[C@H]([NH2+]Cc1cnns1)c1ccco1
342081274	ZINC000625319388	ref	2.39	-15.0	0	274.39	1.154	1	5	8	CCC[C@H](C)CS(=O)(=O)NCc1cnnn1CC
342081275	ZINC000157760927	ref	1.3	-10.48	0	282.315	1.9	3	3	4	O=C(NCc1ccc(O)c(F)c1)NC[C@@H]1CCCCO1
342081276	ZINC000157760927	high	2.06	-47.18	-1	282.315	1.9	2	3	4	O=C(NCc1ccc([O-])c(F)c1)NC[C@@H]1CCCCO1
342081277	ZINC000625320286	ref	6.74	-41.26	1	291.443	1.6	2	3	6	C[C@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1
346818874	ZINC000611565898	ref	5.8	-14.73	0	293.367	1.283	2	4	6	CCOC(=O)CCCNC(=O)[C@H]1CCc2nc(C)[nH]c2C1
365620240	ZINC000354674807	ref	4.39	-11.01	0	289.416	1.539	1	4	10	CC(C)OCCOC[C@H](O)CN(C)C(=O)[C@@H](C)C(C)C
365620245	ZINC000367178539	ref	1.61	-7.55	0	269.37	1.597	1	6	4	CO[C@@H](C)c1nsc(N2CC[C@](O)(C3CC3)C2)n1
365620252	ZINC000354673909	ref	4.99	-8.03	0	286.441	1.309	0	4	5	CC(C)OCCN1CCN(C(=O)[C@@H]2CCSC2)CC1
343994238	ZINC000139396868	ref	3.74	-6.68	0	184.283	1.341	1	2	3	CCC(CC)N1C(=O)[C@@H](C)N[C@@H]1C
365620260	ZINC000354673909	mid	7.22	-44.81	1	286.441	1.309	1	3	5	CC(C)OCC[NH+]1CCN(C(=O)[C@@H]2CCSC2)CC1
346818878	ZINC000611565898	mid	5.81	-13.77	0	293.367	1.283	2	4	6	CCOC(=O)CCCNC(=O)[C@H]1CCc2[nH]c(C)nc2C1
343994243	ZINC000139396868	low	5.04	-46.18	1	184.283	1.341	1	1	3	CCC(CC)N1C(=O)[C@@H](C)[NH2+][C@@H]1C
343994245	ZINC000139407070	ref	3.81	-42.1	-1	199.231	1.49	0	5	3	CCOC(=O)/C(=N/[O-])c1cccs1
365620266	ZINC000354673414	ref	2.95	-7.21	0	294.326	1.308	2	3	2	CCc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@H]2C)ccc1F
214188783	ZINC000278491983	ref	9.69	-48.99	1	316.424	3.269	1	3	5	CC[C@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc(F)c1
185089582	ZINC000096075921	ref	8.72	-38.7	1	286.301	2.17	1	3	2	CC[N@@H+]1CC[C@@]12CCN(c1nccc(C(F)(F)F)n1)C2
185089583	ZINC000096075921	mid	8.74	-39.06	1	286.301	2.17	1	3	2	CC[N@H+]1CC[C@@]12CCN(c1nccc(C(F)(F)F)n1)C2
343994249	ZINC000139306454	ref	3.3	-5.56	0	196.294	1.343	1	2	2	CC(C)[C@@H]1NCC(=O)N1C1CCCC1
342081278	ZINC000625320286	mid	6.83	-40.28	1	291.443	1.6	2	3	6	C[C@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1
342081279	ZINC000625320286	high	5.73	-46.02	1	291.443	1.6	2	4	6	C[C@H](NCCc1cn(C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1
197595430	ZINC000290100138	ref	3.64	-7.97	0	276.258	2.255	1	3	5	CC(C)OCCNC(=O)c1cncc(C(F)(F)F)c1
282123404	ZINC000334640338	high	4.61	-8.61	0	295.427	1.681	1	3	3	CN(C)C[C@@H]1CN(C(=O)NC2CCC3(CC2)CC3)CCO1
342081280	ZINC000625320286	high	6.83	-40.28	1	291.443	1.6	2	4	6	C[C@H](NCCc1cn(C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1
342081281	ZINC000625320286	high	5.73	-46.02	1	291.443	1.6	1	4	6	C[C@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCCN(C2CCC2)C1
342081282	ZINC000625320495	ref	6.25	-11.56	0	269.304	1.569	0	4	1	O=C(c1cn2c(n1)COCC2)N1Cc2ccccc2C1
342081283	ZINC000625319979	ref	5.02	-13.73	0	275.381	1.936	0	6	3	Cc1cn2c(n1)CN(Cc1nnc(C3CC3)s1)CC2
342081284	ZINC000625319979	low	5.44	-33.46	1	275.381	1.936	0	5	3	Cc1cn2c([nH+]1)CN(Cc1nnc(C3CC3)s1)CC2
342597289	ZINC000616977712	ref	4.02	-16.43	0	277.368	1.844	2	3	7	CC[C@@H](C)N(CC)C(=O)CNc1ccccc1C(N)=O
398245931	ZINC000390776256	ref	7.09	-41.84	1	246.354	1.782	1	2	5	CC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1
222608861	ZINC000222488626	ref	9.37	-15.24	0	376.859	3.493	1	2	6	CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl
185089584	ZINC000096075921	high	5.69	-6.16	0	286.301	2.17	0	4	2	CCN1CC[C@@]12CCN(c1nccc(C(F)(F)F)n1)C2
185089585	ZINC000096078723	ref	1.41	-11.12	0	291.351	0.107	1	5	2	Cc1cccc(CN2CCOC[C@@]3(CNC(=O)CO3)C2)n1
342597290	ZINC000616977699	ref	6.08	-15.99	0	253.346	1.755	0	4	6	CC[C@H](C)N(CC)C(=O)[C@H](OC)c1cnn(C)c1
185089586	ZINC000096078723	mid	1.99	-46.61	1	291.351	0.107	2	4	2	Cc1cccc(C[N@@H+]2CCOC[C@@]3(CNC(=O)CO3)C2)n1
342597291	ZINC000590790904	ref	5.31	-9.91	0	282.351	1.8	0	6	3	Cn1cc([C@H]2CCCN2Cc2cnc3ccnn3c2)cn1
124847191	ZINC000364597483	ref	6.0	-10.24	0	319.401	2.76	1	4	4	COc1cc(C)cc2c1OCC[C@@H]2NC(=O)CC1CCOCC1
342597292	ZINC000590790904	mid	7.72	-50.37	1	282.351	1.8	1	5	3	Cn1cc([C@H]2CCC[N@@H+]2Cc2cnc3ccnn3c2)cn1
342597293	ZINC000590790904	mid	7.07	-47.8	1	282.351	1.8	1	5	3	Cn1cc([C@H]2CCC[N@H+]2Cc2cnc3ccnn3c2)cn1
342597294	ZINC000590791142	ref	7.68	-50.73	1	272.352	1.456	1	4	3	Cn1cc([C@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)cn1
342597295	ZINC000590791142	mid	7.0	-47.61	1	272.352	1.456	1	4	3	Cn1cc([C@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)cn1
342597296	ZINC000590791142	high	5.3	-10.33	0	272.352	1.456	0	5	3	Cn1cc([C@H]2CCCN2Cc2ccn(C)c(=O)c2)cn1
214188786	ZINC000293627702	ref	7.01	-63.12	1	356.426	0.017	2	5	4	Cn1cc(C[N@@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(=O)n(C)c1=O
342597297	ZINC000616978179	ref	5.37	-10.97	0	251.33	1.926	0	4	4	CC[C@H](C)N(CC)C(=O)c1cc2n(n1)CCCO2
342597298	ZINC000590789138	ref	7.87	-41.44	1	276.38	1.922	1	2	4	CCN(C)C(=O)C[N@@H+]1CCCc2cc(OC)ccc2C1
222608879	ZINC000222495014	ref	5.73	-18.95	0	391.251	3.781	1	3	4	CN(c1ccc(Cl)c(C(=O)Nc2ccc(F)c(Cl)c2)c1)S(C)(=O)=O
342597299	ZINC000590789138	mid	7.87	-41.5	1	276.38	1.922	1	2	4	CCN(C)C(=O)C[N@H+]1CCCc2cc(OC)ccc2C1
168366239	ZINC000034927093	high	0.01	-40.18	1	128.219	0.476	2	1	1	C[C@@H]([NH3+])[C@@H]1CCCCN1
199273134	ZINC000181264848	high	2.8	-50.11	-1	300.399	1.897	0	3	7	CCN(CC[N-]S(=O)(=O)c1cccc(C)c1F)C1CC1
365620257	ZINC000623044608	ref	9.58	-14.27	0	308.345	1.718	0	6	2	C[C@H]1c2ccccc2CN1C(=O)c1cnn(C)c1-n1cnnc1
365620267	ZINC000623043800	ref	3.0	-14.7	0	321.373	1.805	2	5	7	COc1cc(CCCNC(=O)C2=CCOCC2)cc(OC)c1O
365620274	ZINC000623043373	ref	2.18	-11.33	0	319.361	1.768	1	6	5	COc1nc(C)cc(C)c1CN(C)C(=O)c1c(CO)noc1C
365620284	ZINC000623043437	ref	1.89	-7.35	0	305.378	1.321	1	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)C1(C(N)=O)CCC1
365620293	ZINC000623044850	ref	1.64	-16.71	0	317.336	1.305	3	3	6	O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](C(F)F)C1CCCCC1
365620298	ZINC000623044850	high	0.09	-45.3	-1	317.336	1.305	2	3	6	O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@H](C(F)F)C1CCCCC1
185089587	ZINC000096078723	mid	3.61	-45.45	1	291.351	0.107	2	4	2	Cc1cccc(C[N@H+]2CCOC[C@@]3(CNC(=O)CO3)C2)n1
185089588	ZINC000096075961	ref	6.33	-43.42	1	266.385	1.5	1	2	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)C1CCCC1)C2
214188789	ZINC000278492899	ref	3.7	-16.17	0	303.286	1.525	1	6	9	COC[C@@H](C)OC[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1
342597300	ZINC000590789138	mid	5.52	-9.09	0	276.38	1.922	0	3	4	CCN(C)C(=O)CN1CCCc2cc(OC)ccc2C1
365620315	ZINC000623043969	ref	4.93	-21.74	0	319.361	1.355	2	6	8	COc1cc(CCCNC(=O)Cn2ccnc2)cc(OC)c1O
342597301	ZINC000616977517	ref	6.22	-9.62	0	253.346	1.79	0	4	7	CC[C@H](C)N(CC)C(=O)c1ccn(CCOC)n1
365620324	ZINC000623043969	low	5.44	-45.53	1	319.361	1.355	2	5	8	COc1cc(CCCNC(=O)Cn2cc[nH+]c2)cc(OC)c1O
365620331	ZINC000623043776	ref	-0.5	-16.64	0	301.302	1.359	2	6	4	O=C(Nc1ccc(Oc2cccnn2)cc1)[C@]1(O)CCOC1
282123407	ZINC000263921087	ref	5.9	-17.4	0	292.289	1.61	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1c(F)cccc1F)CC2
342597302	ZINC000590790763	ref	3.12	-9.82	0	293.323	1.131	3	4	5	CC/C=C/CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC
365620340	ZINC000623043382	ref	4.58	-17.73	0	324.384	1.681	2	4	3	CC(=O)N1CC[C@@H](NC(=O)c2ccnc(-c3ccccc3)c2N)C1
365620350	ZINC000623043632	ref	2.03	-16.94	0	311.378	1.619	3	5	9	CC[C@@H](O)CC(=O)NCCCc1cc(OC)c(O)c(OC)c1
342597303	ZINC000590790764	ref	2.97	-9.88	0	293.323	1.131	3	4	5	CC/C=C\CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC
342597304	ZINC000616978589	ref	6.21	-11.12	0	262.313	1.695	1	4	4	CC[C@@H](C)N(CC)C(=O)c1ccc2n[nH]c(=O)n2c1
365620358	ZINC000623044034	ref	3.15	-14.17	0	323.389	1.619	3	5	8	COc1cc(CCCNC(=O)[C@H](O)C2CCC2)cc(OC)c1O
214188790	ZINC000293627702	mid	6.49	-44.18	1	356.426	0.017	2	5	4	Cn1cc(C[N@H+]2CCCNC(=O)[C@H]2Cc2ccccc2)c(=O)n(C)c1=O
214188792	ZINC000293627702	mid	4.55	-13.58	0	356.426	0.017	1	6	4	Cn1cc(CN2CCCNC(=O)[C@H]2Cc2ccccc2)c(=O)n(C)c1=O
185089589	ZINC000096075961	mid	6.4	-43.6	1	266.385	1.5	1	2	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)C1CCCC1)C2
342597305	ZINC000616978311	ref	6.38	-16.66	0	274.324	1.991	1	4	4	CC[C@H](C)N(CC)C(=O)c1cc2c(=O)[nH]cnc2cn1
342597306	ZINC000616978142	ref	4.2	-12.74	0	292.343	1.278	0	7	6	CC[C@H](C)N(CC)C(=O)c1cn(Cc2noc(C)n2)nn1
365620261	ZINC000576530967	low	5.61	-110.25	2	245.33	1.619	2	2	3	Cc1[nH+]cc(C[NH2+][C@H]2CCCc3cn[nH]c32)n1C
214188796	ZINC000293634989	ref	0.92	-12.85	0	364.446	0.42	3	5	9	CC[C@@H](C)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCCN1CCOCC1
214188800	ZINC000293634989	low	3.35	-51.69	1	364.446	0.42	4	4	9	CC[C@@H](C)[C@@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCC[NH+]1CCOCC1
185089590	ZINC000096075961	mid	3.22	-7.33	0	266.385	1.5	0	3	4	COCCN1CC[C@@]12CCN(C(=O)C1CCCC1)C2
398245932	ZINC000651432561	ref	7.09	-6.75	0	254.28	3.315	0	3	3	FC1(F)CC(Cc2noc([C@H]3CC34CCC4)n2)C1
214188806	ZINC000293620941	ref	2.16	-19.6	0	360.399	0.203	2	8	3	N#Cc1ccsc1NC(=O)C(=O)N1CCC[C@](O)(Cn2ccnn2)C1
342597307	ZINC000590790122	ref	9.69	-48.01	1	272.352	1.735	1	4	4	COc1ccc2c(c1)CCC[N@@H+](CCn1cncn1)C2
214188810	ZINC000293627704	ref	4.19	-20.8	0	361.402	0.704	1	7	8	CCn1ncc(C(=O)NCc2ccc(OCC(=O)N(C)C)c(OC)c2)n1
214188814	ZINC000293623434	ref	4.08	-21.78	0	360.414	0.434	2	4	8	C[C@H](c1ccccc1)[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(N)=O
214188825	ZINC000293631803	ref	-0.67	-13.89	0	369.443	0.738	3	5	6	CCOC1(CNC(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CCCC1
185089593	ZINC000096076709	ref	1.62	-46.09	1	250.302	-0.328	1	5	1	c1cnc(N2CCOC[C@]3(C[NH2+]CCO3)C2)nc1
185089594	ZINC000096076709	high	0.25	-9.63	0	250.302	-0.328	1	6	1	c1cnc(N2CCOC[C@]3(CNCCO3)C2)nc1
342597308	ZINC000590790122	mid	9.68	-46.71	1	272.352	1.735	1	4	4	COc1ccc2c(c1)CCC[N@H+](CCn1cncn1)C2
342597309	ZINC000590790122	high	7.35	-10.23	0	272.352	1.735	0	5	4	COc1ccc2c(c1)CCCN(CCn1cncn1)C2
168366243	ZINC000054930155	ref	-1.45	-42.2	1	151.231	-0.233	1	2	2	C[C@@H]([NH3+])[C@@H](C)S(C)(=O)=O
185089595	ZINC000096076154	ref	9.02	-14.45	0	286.379	1.848	0	4	2	O=C(C1CCCC1)N1CC[C@]2(CCN2c2ncccn2)C1
342597310	ZINC000590788884	ref	4.97	-13.67	0	299.378	1.965	0	6	4	COc1ccc2c(c1)CCCN(Cc1nnnn1C1CC1)C2
342597311	ZINC000590788884	low	7.89	-52.46	1	299.378	1.965	1	5	4	COc1ccc2c(c1)CCC[N@@H+](Cc1nnnn1C1CC1)C2
342597312	ZINC000590788884	low	7.54	-53.76	1	299.378	1.965	1	5	4	COc1ccc2c(c1)CCC[N@H+](Cc1nnnn1C1CC1)C2
342597313	ZINC000616977789	ref	7.34	-26.65	0	290.367	1.533	0	5	4	CC[C@@H](C)N(CC)C(=O)c1cn(C)c2c(cnn2C)c1=O
342597314	ZINC000616977870	ref	7.94	-17.73	0	250.342	1.804	0	3	5	CC[C@H](C)N(CC)C(=O)Cn1ccc(C)cc1=O
342597315	ZINC000616978718	ref	5.96	-16.46	0	262.313	1.695	1	4	4	CC[C@H](C)N(CC)C(=O)c1cccn2c(=O)[nH]nc12
342597316	ZINC000590791504	ref	7.36	-48.65	1	272.352	1.419	1	4	4	Cn1cc([C@@H]2CCC[N@@H+]2CCn2ccccc2=O)cn1
282123408	ZINC000378198205	ref	8.06	-99.56	2	335.473	1.437	2	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2O1
282123412	ZINC000378198205	high	5.51	-47.13	1	335.473	1.437	1	4	4	CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2O1
214188794	ZINC000278493690	ref	2.8	-10.11	0	318.339	1.589	2	3	7	C[C@@H](C(=O)NC[C@H](O)Cc1ccccc1)N(C)CC(F)(F)F
197595452	ZINC000162838323	ref	3.48	-12.59	0	305.378	1.251	2	3	6	C[C@H]1OCC[C@@H]1NC(=O)N(CCC(N)=O)Cc1ccccc1
214188798	ZINC000278492430	ref	2.2	-13.04	0	304.39	1.77	3	4	6	CC(C)Cn1ccc2c(C(=O)NC(C)(CO)CO)cccc21
282123414	ZINC000161586309	ref	4.87	-50.8	1	326.357	-0.237	2	6	6	C[NH+](C)C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1
349535479	ZINC000618814594	ref	7.38	-10.45	0	284.363	1.579	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@H]1CCc2ccccc2C1
290622894	ZINC000353126187	ref	6.69	-36.41	1	260.381	2.411	1	2	4	C[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1
282123417	ZINC000161586309	high	2.33	-18.96	0	326.357	-0.237	1	7	6	CN(C)C[C@@H]1CN(C(=O)NCCn2cc([N+](=O)[O-])cn2)CCO1
185089596	ZINC000096075979	ref	6.53	-41.31	1	260.385	1.48	1	3	4	Cn1ccnc1CN1CC[C@]2(CC[N@@H+]2CC2CC2)C1
185089597	ZINC000096075979	mid	6.51	-41.49	1	260.385	1.48	1	3	4	Cn1ccnc1CN1CC[C@]2(CC[N@H+]2CC2CC2)C1
282123420	ZINC000369433753	ref	5.86	-82.47	2	284.404	0.053	3	2	6	C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1
342597317	ZINC000590791504	mid	8.0	-48.43	1	272.352	1.419	1	4	4	Cn1cc([C@@H]2CCC[N@H+]2CCn2ccccc2=O)cn1
342597318	ZINC000590791504	mid	5.05	-15.67	0	272.352	1.419	0	5	4	Cn1cc([C@@H]2CCCN2CCn2ccccc2=O)cn1
342081285	ZINC000625319127	ref	7.58	-44.02	1	252.358	1.108	1	2	4	CCO[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1
214188801	ZINC000278492268	ref	6.05	-40.86	-1	318.402	2.354	0	5	5	CCCc1cc([N-]S(=O)(=O)c2ccc(C#N)c(C)c2)n(C)n1
214188804	ZINC000278492268	low	5.83	-12.58	0	318.402	2.354	1	5	5	CCCc1cc(NS(=O)(=O)c2ccc(C#N)c(C)c2)n(C)n1
214188807	ZINC000278493714	ref	3.39	-12.08	0	304.312	2.233	1	3	5	C[C@@H](C(=O)N(C)Cc1ccc(O)cc1)N(C)CC(F)(F)F
214188811	ZINC000278492626	ref	2.77	-42.08	-1	319.386	2.314	1	4	1	C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1
222608886	ZINC000170626366	ref	10.68	-19.36	0	362.445	2.985	0	3	5	C[C@@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O
214188816	ZINC000278493761	ref	3.13	-9.1	0	307.369	1.49	2	3	5	O=C(NCc1ccc(F)cc1)NCC1(N2CCOCC2)CC1
342081286	ZINC000625319127	mid	7.25	-47.13	1	252.358	1.108	1	2	4	CCO[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1
342081287	ZINC000625319127	high	5.33	-8.93	0	252.358	1.108	0	3	4	CCO[C@H](C(=O)N1CCN2CCC[C@H]2C1)C1CC1
214188817	ZINC000278493761	low	5.34	-42.06	1	307.369	1.49	3	2	5	O=C(NCc1ccc(F)cc1)NCC1([NH+]2CCOCC2)CC1
222608905	ZINC000170625196	ref	6.14	-13.35	0	368.437	2.08	3	3	6	O=C(C[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O)NC1CCCC1
168366246	ZINC000054930155	high	-1.83	-11.37	0	151.231	-0.233	1	3	2	C[C@@H](N)[C@@H](C)S(C)(=O)=O
214188821	ZINC000278492149	ref	7.78	-55.83	1	320.776	3.38	2	3	6	Cc1ccc([C@@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1
342081288	ZINC000625319459	ref	2.28	-14.94	0	274.39	1.154	1	5	8	CCC(CC)CS(=O)(=O)NCc1cnnn1CC
342081289	ZINC000625320287	ref	6.99	-35.86	1	291.443	1.6	2	3	6	C[C@@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1
342081290	ZINC000625320287	mid	6.99	-38.19	1	291.443	1.6	2	3	6	C[C@@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1
342081291	ZINC000625320287	high	5.83	-45.45	1	291.443	1.6	2	4	6	C[C@@H](NCCc1cn(C)nn1)[C@@H]1CCC[N@@H+](C2CCC2)C1
342081292	ZINC000625320287	high	6.99	-38.19	1	291.443	1.6	2	4	6	C[C@@H](NCCc1cn(C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1
342081293	ZINC000625320287	high	5.83	-45.45	1	291.443	1.6	1	4	6	C[C@@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCCN(C2CCC2)C1
342081294	ZINC000625319101	ref	6.87	-47.05	1	254.374	1.354	1	2	4	CCO[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C(C)C
342081295	ZINC000625319101	mid	7.35	-44.86	1	254.374	1.354	1	2	4	CCO[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C(C)C
342081296	ZINC000625319101	high	5.38	-8.73	0	254.374	1.354	0	3	4	CCO[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)C(C)C
342597319	ZINC000616977311	ref	5.37	-14.91	0	262.353	1.975	1	2	6	CC[C@@H](C)N(CC)C(=O)Cc1ccc(C(N)=O)cc1
365620265	ZINC000576530967	high	3.92	-9.07	0	245.33	1.619	2	4	3	Cc1ncc(CN[C@H]2CCCc3cn[nH]c32)n1C
365620272	ZINC000576530093	ref	8.25	-31.25	0	243.347	1.988	1	3	9	CCOCC[N@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-]
342597320	ZINC000590790114	ref	3.25	-15.54	0	297.42	1.878	0	4	5	COc1ccc2c(c1)CCCN(CCCS(C)(=O)=O)C2
342597321	ZINC000590790114	mid	5.61	-52.6	1	297.42	1.878	1	3	5	COc1ccc2c(c1)CCC[N@@H+](CCCS(C)(=O)=O)C2
342597322	ZINC000590790114	mid	5.6	-52.56	1	297.42	1.878	1	3	5	COc1ccc2c(c1)CCC[N@H+](CCCS(C)(=O)=O)C2
282123409	ZINC000338149683	ref	3.97	-9.63	0	284.444	3.055	3	2	8	CCC(CC)(CO)CNC(=O)NCC1(CC)CCCC1
342597323	ZINC000616977728	ref	5.09	-9.61	0	262.313	1.924	2	3	4	CC[C@@H](C)N(CC)C(=O)c1ccc2[nH]c(=O)[nH]c2n1
342597324	ZINC000590791185	ref	8.32	-42.05	1	273.384	1.923	1	4	5	Cn1cc(CCC[N@@H+]2CCC[C@H]2c2cnn(C)c2)cn1
365620278	ZINC000576530093	mid	7.55	-32.21	0	243.347	1.988	1	3	9	CCOCC[N@@H+](CC1CC1)[C@@](C)(CC)C(=O)[O-]
365620283	ZINC000576529378	ref	3.24	-14.43	0	238.287	0.462	1	3	4	C=C(C)C[C@@H](C)C(=O)N[C@@H]1CC(=O)N(C)C1=O
342597325	ZINC000590791185	mid	7.65	-40.86	1	273.384	1.923	1	4	5	Cn1cc(CCC[N@H+]2CCC[C@H]2c2cnn(C)c2)cn1
214188802	ZINC000337631854	ref	2.44	-16.21	0	284.316	-0.671	2	6	7	CN(CCOCCO)C(=O)c1cc(=O)[nH]c(N(C)C)n1
342597326	ZINC000590791185	high	5.98	-10.67	0	273.384	1.923	0	5	5	Cn1cc(CCCN2CCC[C@H]2c2cnn(C)c2)cn1
342597327	ZINC000590790903	ref	4.7	-11.11	0	282.351	1.8	0	6	3	Cn1cc([C@@H]2CCCN2Cc2cnc3ccnn3c2)cn1
365620290	ZINC000576532876	ref	6.0	-11.82	0	232.283	1.35	0	3	4	O=C(COCC1CC1)N1Cc2cccnc2C1
365620299	ZINC000343676015	ref	4.46	-37.4	1	201.266	0.418	2	3	6	C=CCC[N@@H+](C)C[C@@](C)(O)C(=O)OC
365620311	ZINC000343676015	mid	4.46	-37.53	1	201.266	0.418	2	3	6	C=CCC[N@H+](C)C[C@@](C)(O)C(=O)OC
342597328	ZINC000590790903	mid	7.01	-47.43	1	282.351	1.8	1	5	3	Cn1cc([C@@H]2CCC[N@@H+]2Cc2cnc3ccnn3c2)cn1
342597329	ZINC000590790903	mid	7.66	-50.4	1	282.351	1.8	1	5	3	Cn1cc([C@@H]2CCC[N@H+]2Cc2cnc3ccnn3c2)cn1
365620316	ZINC000576530444	ref	7.27	-50.92	-1	240.332	1.077	1	5	2	Cn1c(S[C@H]2CCC(C)(C)C2=O)n[n-]c1=N
300267981	ZINC000337208350	low	-0.29	-37.46	1	270.295	0.298	3	3	4	C[C@H]1C[N@H+](C[C@](C)(O)C(F)(F)F)CCN1CCO
365620321	ZINC000576530444	low	7.25	-16.82	0	240.332	1.077	1	4	2	Cn1c(S[C@H]2CCC(C)(C)C2=O)n[n-]c1=[NH2+]
214188805	ZINC000337631854	high	1.52	-48.88	-1	284.316	-0.671	1	6	7	CN(CCOCCO)C(=O)c1cc(=O)[n-]c(N(C)C)n1
214188808	ZINC000337630777	ref	8.54	-7.48	0	287.407	3.212	2	3	6	CC(C)Nc1ncccc1C(=O)NCC1(C2CC2)CCC1
343994242	ZINC000599271712	low	3.55	-46.91	1	295.408	1.646	2	5	6	C[N@H+](Cc1cscn1)C[C@H](O)CC1(C#N)CCOCC1
412491619	ZINC000427781839	ref	0.57	-12.63	0	321.428	-0.393	1	8	5	COC[C@H](C)S(=O)(=O)N1CCN(c2nc(N)ns2)CC1
214188812	ZINC000337632138	ref	5.44	-12.55	0	291.416	2.394	2	3	6	CCSc1ccc(CC(=O)N[C@H]2C=C[C@@H](CO)C2)cc1
214188815	ZINC000337631043	ref	3.4	-8.93	0	270.358	0.618	2	5	6	CCSCCCNC(=O)C(=O)Nc1ccnn1C
214188819	ZINC000337628516	ref	2.45	-13.15	0	257.33	0.459	1	4	6	C[C@@H]1C[C@H](C(=O)N(C)CCOCCO)CCC1=O
342081297	ZINC000625319360	ref	0.38	-7.34	0	277.324	1.946	1	6	8	COCC[C@@H](NCc1cncc(OC)n1)c1ccco1
214188823	ZINC000337631943	ref	6.51	-41.7	1	289.37	2.204	3	1	5	C[C@H]1CCC[N@@H+](C[C@@H](C)NC(=O)NC2(C(F)F)CC2)C1
214188827	ZINC000337631943	mid	6.47	-41.28	1	289.37	2.204	3	1	5	C[C@H]1CCC[N@H+](C[C@@H](C)NC(=O)NC2(C(F)F)CC2)C1
214188829	ZINC000337631943	high	4.08	-5.51	0	289.37	2.204	2	2	5	C[C@H]1CCCN(C[C@@H](C)NC(=O)NC2(C(F)F)CC2)C1
214188831	ZINC000337628688	ref	5.52	-12.09	0	283.253	2.369	1	3	3	Cn1ccc(CNC(=O)c2ccncc2C(F)(F)F)c1
214188835	ZINC000337631426	ref	6.9	-9.13	0	289.335	3.451	1	5	4	COc1ccc(CNc2ncnc3sccc23)c(F)c1
214188844	ZINC000337628989	ref	3.04	-22.45	0	280.332	0.236	3	5	5	Cc1cc(N(C)C)nc(NC(=O)N[C@@H](C)CC(N)=O)n1
214188847	ZINC000337630015	ref	1.75	-12.74	0	298.343	0.436	1	7	7	CCOC(=O)CC(=O)NC(C)(C)c1noc(CN(C)C)n1
214188850	ZINC000337630015	low	4.27	-51.86	1	298.343	0.436	2	6	7	CCOC(=O)CC(=O)NC(C)(C)c1noc(C[NH+](C)C)n1
214188859	ZINC000337628592	ref	7.77	-8.92	0	257.786	3.299	0	2	4	CCN(C)C(=O)[C@H](C)Sc1ccc(Cl)cc1
214188864	ZINC000337628560	ref	5.88	-43.17	1	291.42	2.228	3	2	4	O=C(NCC[NH+]1CCC1)N[C@@H]1CCSc2ccccc21
214188867	ZINC000337628560	mid	2.69	-10.37	0	291.42	2.228	2	3	4	O=C(NCCN1CCC1)N[C@@H]1CCSc2ccccc21
214188871	ZINC000337629362	ref	6.52	-12.16	0	286.326	2.101	1	3	4	C[C@@H](Cn1cccn1)NC(=O)N1CCCC[C@H]1C(F)F
342081298	ZINC000625319360	low	1.61	-41.66	1	277.324	1.946	1	5	8	COCC[C@@H]([NH2+]Cc1cncc(OC)n1)c1ccco1
342081299	ZINC000625319919	ref	0.92	-6.21	0	253.346	1.834	2	5	7	CC(C)[C@H](CCO)NCc1noc(C2CCC2)n1
214188813	ZINC000053582421	ref	8.78	-12.34	0	334.485	3.142	2	3	4	CC(C)NC(=S)NCC1(c2ccc3c(c2)OCCO3)CCCC1
342597330	ZINC000616977312	ref	5.49	-14.8	0	262.353	1.975	1	2	6	CC[C@H](C)N(CC)C(=O)Cc1ccc(C(N)=O)cc1
365620273	ZINC000354674974	ref	6.27	-37.54	1	268.401	1.648	2	2	4	CO[C@@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1(C)C
342597331	ZINC000616977452	ref	5.63	-10.09	0	280.372	1.575	0	5	6	CC[C@@H](C)N(CC)C(=O)c1cn(CC2(C)COC2)nn1
342597332	ZINC000616977431	ref	4.77	-17.32	0	254.374	1.925	1	2	5	CC[C@H](C)N(CC)C(=O)[C@H]1CCC[C@@H](C(N)=O)C1
178304842	ZINC000130778167	low	5.51	-40.27	1	245.282	1.762	1	3	2	Cc1cc2[nH+]cn(C[C@@H]3CNC(=O)O3)c2cc1C
398245933	ZINC000649444080	ref	3.98	-9.73	0	246.31	2.157	1	4	5	Cc1c(-c2ccc(OCCCO)cc2)cnn1C
178304849	ZINC000005552964	ref	7.83	-8.07	0	230.311	3.352	0	3	1	Cc1cc2ncn([C@@H]3CCCCO3)c2cc1C
178304852	ZINC000005552964	low	8.31	-25.48	1	230.311	3.352	0	2	1	Cc1cc2[nH+]cn([C@@H]3CCCCO3)c2cc1C
214188818	ZINC000053564015	ref	8.97	-48.61	1	341.455	2.661	2	2	3	Cc1ccc2[nH]c(C(=O)N3CCC(C[NH+]4CCOCC4)CC3)cc2c1
214188822	ZINC000053564015	mid	6.89	-10.12	0	341.455	2.661	1	3	3	Cc1ccc2[nH]c(C(=O)N3CCC(CN4CCOCC4)CC3)cc2c1
178304855	ZINC000050194530	ref	6.43	-53.73	1	219.292	1.104	1	4	5	Cc1cc2nnc(CCCCC[NH3+])n2cn1
214188828	ZINC000053557604	ref	3.46	-20.12	0	338.429	0.835	1	4	5	CC(=O)N1CCC[C@@H](C(=O)NCCS(=O)(=O)c2ccccc2)C1
178304859	ZINC000063009974	ref	6.62	-13.11	0	243.245	1.821	1	5	1	Cc1cc2nnc(-c3ccc(N)c(F)c3)n2cn1
185089598	ZINC000096075979	low	6.92	-81.96	2	260.385	1.48	1	2	4	Cn1cc[nH+]c1CN1CC[C@]2(CC[N@@H+]2CC2CC2)C1
342597333	ZINC000616977943	ref	2.17	-43.72	-1	258.347	1.249	1	4	6	CC[C@@H](C)N(CC)C(=O)CSc1n[nH]c(=O)[n-]1
342597334	ZINC000616977943	low	3.36	-10.65	0	258.347	1.249	2	4	6	CC[C@@H](C)N(CC)C(=O)CSc1n[nH]c(=O)[nH]1
342597335	ZINC000616978728	ref	4.72	-7.93	0	256.39	1.602	0	3	6	CC[C@H](C)N(CC)C(=O)[C@H](C)CN1CCOCC1
185089599	ZINC000096075979	low	6.91	-81.42	2	260.385	1.48	1	2	4	Cn1cc[nH+]c1CN1CC[C@]2(CC[N@H+]2CC2CC2)C1
178304872	ZINC000044183894	ref	6.06	-8.1	0	218.3	2.595	1	3	2	Cc1cc2ncn([C@@H](C)[C@@H](C)O)c2cc1C
349536208	ZINC000258945016	mid	7.96	-49.75	1	244.338	2.867	1	2	6	CC(C)Oc1ccc(C[NH2+]CC2(C#N)CC2)cc1
342597336	ZINC000616978728	mid	6.91	-39.08	1	256.39	1.602	1	2	6	CC[C@H](C)N(CC)C(=O)[C@H](C)C[NH+]1CCOCC1
342597337	ZINC000616978208	ref	7.36	-9.54	0	268.361	1.715	0	5	7	CC[C@H](C)N(CC)C(=O)CCc1nc(N(C)C)no1
365620279	ZINC000274311215	ref	4.34	-11.46	0	274.345	1.91	2	3	4	O=C(CNC(=O)c1cccc2ccsc12)NC1CC1
365620286	ZINC000274310057	ref	2.05	-8.35	0	283.324	1.038	1	6	5	COC(=O)c1ccoc1CN1CCOC[C@H]1C[C@H](C)O
282123411	ZINC000171340136	ref	5.21	-14.74	0	324.344	1.381	1	7	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3cccnc3)on1)CC2
282123415	ZINC000266270591	ref	6.68	-14.11	0	288.326	1.779	1	4	2	Cc1cc(F)cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)c1
282123416	ZINC000171334181	ref	6.1	-14.47	0	331.228	2.7	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)sc1Cl)CC2
282123419	ZINC000171341464	ref	5.24	-14.49	0	324.344	1.381	1	7	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccncc3)on1)CC2
365620292	ZINC000274308724	ref	5.09	-13.64	0	282.365	1.94	1	4	3	COC(=O)N(C)CC(=O)N[C@@H]1CCCc2sccc21
342081300	ZINC000625319919	mid	1.94	-36.81	1	253.346	1.834	2	4	7	CC(C)[C@H](CCO)[NH2+]Cc1noc(C2CCC2)n1
365620303	ZINC000274310782	ref	5.49	-6.31	0	276.34	1.452	1	4	2	C[C@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1cncnc1
365620312	ZINC000274310638	ref	3.96	-49.63	1	293.371	1.097	3	4	5	C[C@H]1C[N@H+](CCCNC(=O)Nc2cncnc2)C[C@@H](C)O1
365620318	ZINC000274310638	mid	3.93	-50.31	1	293.371	1.097	3	4	5	C[C@H]1C[N@@H+](CCCNC(=O)Nc2cncnc2)C[C@@H](C)O1
365620323	ZINC000274310638	mid	1.49	-12.37	0	293.371	1.097	2	5	5	C[C@H]1CN(CCCNC(=O)Nc2cncnc2)C[C@@H](C)O1
365620330	ZINC000353180625	ref	3.36	-6.51	0	251.273	1.03	1	4	5	CCOC(=O)[C@@](C)(O)CN1CCC[C@@H]1C(F)F
185089600	ZINC000096075979	high	3.61	-5.62	0	260.385	1.48	0	4	4	Cn1ccnc1CN1CC[C@]2(CCN2CC2CC2)C1
365620333	ZINC000353180625	low	5.23	-34.28	1	251.273	1.03	2	3	5	CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H]1C(F)F
365620338	ZINC000353180625	low	5.38	-36.64	1	251.273	1.03	2	3	5	CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@@H]1C(F)F
185089601	ZINC000096075937	ref	1.06	-7.02	0	265.313	0.611	0	5	4	COCCN1CC[C@@]12CCN(C(=O)c1ccno1)C2
365620343	ZINC000274310162	ref	4.51	-9.96	0	291.351	1.496	2	4	4	Cn1cc(C(=O)NCCC2=CCCCCC2)c(=O)[nH]c1=O
282123421	ZINC000237830103	ref	4.46	-43.49	1	277.372	0.407	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)[C@]1(C)CCC[NH2+]C1)CC2
168364960	ZINC000368498904	ref	5.6	-12.94	0	335.839	3.083	1	6	5	COc1ncc([C@@H](C)N[C@@H](C)c2nnc3n2CCCC3)cc1Cl
342081301	ZINC000625320175	ref	2.84	-37.61	1	284.4	1.062	2	3	9	CCO[C@H](C[NH2+][C@H](CC(N)=O)C1CCOCC1)C1CC1
342081302	ZINC000625320000	ref	5.21	-16.98	0	258.321	1.444	1	2	2	C[C@H](C(=O)N1Cc2ccccc2C1)[C@H]1CCC(=O)N1
342597338	ZINC000590791091	ref	2.91	-10.23	0	293.323	1.131	3	4	5	C=C(C)CCNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC
342597339	ZINC000616978309	ref	4.42	-12.14	0	299.415	1.04	2	3	9	CC[C@@H](C)N(CC)C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C
342597340	ZINC000616978209	ref	7.24	-9.63	0	268.361	1.715	0	5	7	CC[C@@H](C)N(CC)C(=O)CCc1nc(N(C)C)no1
222608895	ZINC000291775537	ref	4.29	-10.22	0	318.751	2.499	2	2	3	O=C(NCc1ccc(Cl)cc1)N1CCC(F)(F)[C@H](CO)C1
222608899	ZINC000291776604	ref	6.2	-15.67	0	320.751	3.231	0	3	2	C[C@H]1CN(C(=O)Cc2cccc(Cl)c2F)c2cccnc2O1
222608904	ZINC000291776582	ref	6.8	-16.04	0	305.374	2.1	0	4	4	CCOc1ccccc1N(C)C(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21
398245934	ZINC000650859201	ref	5.23	-11.8	0	262.3	1.854	1	2	5	O=C(NCCOCC1CC1)N1CCCC(F)(F)C1
342597341	ZINC000590788806	ref	4.21	-8.98	0	276.38	1.97	1	3	5	CCCNC(=O)CN1CCCc2cc(OC)ccc2C1
342597342	ZINC000590788806	mid	6.56	-42.06	1	276.38	1.97	2	2	5	CCCNC(=O)C[N@@H+]1CCCc2cc(OC)ccc2C1
282123413	ZINC000301457008	ref	2.46	-20.48	0	313.423	1.456	2	5	7	CCC(CC)(CNc1ncccc1C(=O)NC)S(C)(=O)=O
398245937	ZINC000650858648	ref	6.81	-45.42	1	275.343	1.769	2	1	2	C[N@@H+]1CCC[C@H](CNC(=O)N2CCCC(F)(F)C2)C1
190494195	ZINC000269441820	ref	8.21	-12.42	0	290.363	2.203	0	4	4	Cc1cncc(/C=C/C(=O)N(C)CC(=O)OC(C)(C)C)c1
282123429	ZINC000301444301	ref	2.59	-15.54	0	287.385	1.5	1	6	7	CCC(CC)(CNc1nccc(OC)n1)S(C)(=O)=O
295666463	ZINC000357763385	ref	4.95	-14.85	0	334.507	1.879	1	4	4	CS[C@H]1CCCCN(C(=O)N[C@@H](C)C2(S(C)(=O)=O)CC2)C1
299072323	ZINC000354602272	ref	2.88	-16.55	0	349.366	0.809	2	6	7	COc1cccc(F)c1[C@H](C)NC(=O)C(=O)NCCCn1ccnn1
342597343	ZINC000590788806	mid	6.56	-42.05	1	276.38	1.97	2	2	5	CCCNC(=O)C[N@H+]1CCCc2cc(OC)ccc2C1
212169196	ZINC000335491514	ref	4.0	-50.54	1	281.4	0.832	1	2	2	CC[C@@]1(C)CCCN(C(=O)C(=O)N2CC[C@H](C[NH3+])C2)C1
212169199	ZINC000335491632	ref	4.86	-5.32	0	282.702	2.086	2	2	2	O=C(Nc1cc(Cl)ccc1F)C(=O)N[C@H]1CC12CC2
212169202	ZINC000335491318	ref	4.93	-4.21	0	282.702	2.086	2	2	2	O=C(Nc1ccc(F)cc1Cl)C(=O)N[C@@H]1CC12CC2
212169203	ZINC000335490951	ref	7.75	-9.45	0	287.407	3.073	1	2	2	CC(C)(C)c1ccncc1CNC(=O)N1C[C@@H]2CCC[C@@H]21
212169217	ZINC000335491719	ref	4.23	-23.32	0	258.277	0.497	1	3	3	O=C1CC(C(=O)N[C@H]2CN(c3ccccc3)C2=O)C1
212169221	ZINC000335491194	ref	5.44	-5.41	0	278.739	2.256	2	2	2	Cc1cccc(NC(=O)C(=O)N[C@@H]2CC23CC3)c1Cl
222608897	ZINC000283726772	ref	8.45	-21.93	0	311.389	1.833	1	5	5	C=C(C)Cn1c(-c2ccccc2)nnc1N1CC[C@@H](C(N)=O)C1
349535481	ZINC000618815479	ref	6.09	-10.12	0	260.341	1.376	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
342081303	ZINC000625320777	ref	1.94	-39.62	1	297.395	1.785	3	4	9	CCc1ccc([C@H](COC)[NH2+]C[C@@H](O)CC2(O)CCC2)o1
342081304	ZINC000625320777	mid	0.57	-8.63	0	297.395	1.785	3	5	9	CCc1ccc([C@H](COC)NC[C@@H](O)CC2(O)CCC2)o1
222608918	ZINC000283740511	ref	7.16	-49.19	1	307.419	1.849	2	4	6	CO/N=C/C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1
222608922	ZINC000283740511	high	4.77	-11.85	0	307.419	1.849	1	5	6	CO/N=C/C(=O)Nc1ccc(CCN2CCSCC2)cc1
342081305	ZINC000625320324	ref	1.42	-40.41	1	298.427	1.066	4	3	8	NC(=O)C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCCCC1
185089602	ZINC000096075937	mid	4.12	-38.69	1	265.313	0.611	1	4	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccno1)C2
214188824	ZINC000278492149	mid	6.33	-8.7	0	320.776	3.38	2	4	6	Cc1ccc([C@@H](O)CNCc2ccc([N+](=O)[O-])cc2Cl)cc1
214188826	ZINC000278493880	ref	3.91	-20.87	0	323.78	2.627	2	5	6	CC[C@@H](O)c1nccn1CC(=O)Nc1ccc(OC)c(Cl)c1
214188830	ZINC000278491912	ref	6.9	-9.73	0	305.378	3.005	0	4	2	Cc1cnc(C2CCN(C(=O)c3cccc(F)n3)CC2)s1
282123422	ZINC000369433753	mid	5.88	-82.96	2	284.404	0.053	3	2	6	C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1
214188837	ZINC000278492091	ref	10.17	-46.53	1	301.459	3.315	1	3	7	C[C@@H](CC[NH2+]CCc1cn2c(n1)SCC2)c1ccccc1
342081306	ZINC000625320285	ref	6.78	-37.79	1	291.443	1.6	2	3	6	C[C@@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1
342081307	ZINC000625320285	mid	6.31	-38.82	1	291.443	1.6	2	3	6	C[C@@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1
342081308	ZINC000625320285	high	5.7	-45.56	1	291.443	1.6	2	4	6	C[C@@H](NCCc1cn(C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1
342081309	ZINC000625320285	high	6.31	-38.82	1	291.443	1.6	2	4	6	C[C@@H](NCCc1cn(C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1
342081310	ZINC000625320285	high	5.7	-45.56	1	291.443	1.6	1	4	6	C[C@@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCCN(C2CCC2)C1
342081311	ZINC000625319272	ref	6.1	-9.48	0	254.293	1.769	0	4	2	O=C(c1cn(C2CC2)nn1)N1Cc2ccccc2C1
342081312	ZINC000625320420	ref	5.46	-8.91	0	299.378	1.428	1	4	2	C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc2ccnn12
342081313	ZINC000625320420	mid	7.81	-45.93	1	299.378	1.428	1	4	2	C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc2ccnn12
342081314	ZINC000625320420	high	5.46	-8.91	0	299.378	1.428	0	5	2	CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccnc2ccnn12
365620280	ZINC000354674974	mid	4.11	-6.95	0	268.401	1.648	1	3	4	CO[C@@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C1(C)C
365620288	ZINC000354673605	ref	4.13	-16.38	0	297.351	1.426	1	3	5	O=C(CCC(=O)c1ccc(F)cc1)N[C@@H]1CC[S@](=O)C1
342081315	ZINC000625319463	ref	2.64	-42.7	1	282.384	1.998	3	4	7	CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1c(C)noc1C
365620294	ZINC000354675364	ref	4.75	-17.52	0	265.378	1.736	1	2	3	Cc1cccc([C@H](C)C(=O)N[C@H]2CC[S@@](=O)C2)c1
365620301	ZINC000354675655	ref	4.83	-17.0	0	283.368	1.956	1	2	4	C[C@H](CC(=O)N[C@H]1CC[S@@](=O)C1)c1cccc(F)c1
342081316	ZINC000625319463	high	1.4	-6.82	0	282.384	1.998	3	5	7	CC[C@H](NC[C@@H](O)CC1(O)CCC1)c1c(C)noc1C
365620305	ZINC000354675817	ref	7.73	-10.56	0	299.367	1.376	0	5	4	COC(=O)[C@H](C)CC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1
365620313	ZINC000354673790	ref	6.42	-35.03	1	283.416	1.236	2	2	7	CCCCN(CC)C(=O)C(=O)NCC1([NH+](C)C)CCC1
365620322	ZINC000354673790	high	4.9	-4.46	0	283.416	1.236	1	3	7	CCCCN(CC)C(=O)C(=O)NCC1(N(C)C)CCC1
365620329	ZINC000354673505	ref	4.6	-15.74	0	281.352	1.866	1	2	4	O=C(C/C=C\c1ccc(F)cc1)N[C@@H]1CC[S@](=O)C1
214188832	ZINC000293631246	ref	5.08	-29.26	0	352.412	0.26	0	5	3	CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@@H]1CCN(S(C)(=O)=O)C1
365620334	ZINC000354674429	ref	6.23	-44.15	1	289.379	1.778	1	4	9	COCCOc1cccc(C[NH2+]CCc2ccn(C)n2)c1
365620339	ZINC000354673912	ref	4.97	-7.02	0	286.441	1.309	0	4	5	CC(C)OCCN1CCN(C(=O)[C@H]2CCSC2)CC1
365620344	ZINC000354673912	mid	7.2	-44.79	1	286.441	1.309	1	3	5	CC(C)OCC[NH+]1CCN(C(=O)[C@H]2CCSC2)CC1
282123423	ZINC000329865132	ref	5.21	-16.44	0	324.344	1.381	1	7	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccccn3)no1)CC2
282123428	ZINC000265059273	ref	5.25	-12.97	0	289.339	1.443	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C(C)C)no1)CC2
282123432	ZINC000187458410	ref	5.0	-12.95	0	340.309	1.449	1	6	2	Cc1cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)nc(C(F)(F)F)n1
343994244	ZINC000625559295	mid	9.08	-30.1	1	235.371	2.985	1	1	5	C=C1C[C@@H]2CC[C@H](C1)[N@H+]2C[C@H](OCC)C1CC1
365620351	ZINC000354675476	ref	4.4	-4.8	0	282.384	1.175	1	3	2	CC(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C)C1
349535482	ZINC000621496587	ref	8.64	-11.96	0	275.392	3.207	1	2	5	Cc1cccc(COCC(=O)N[C@H]2CCC[C@@H](C)C2)c1
365620355	ZINC000354674368	ref	6.11	-45.32	1	297.443	1.673	2	2	10	CCCCN(CCCC)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
214188833	ZINC000053577222	ref	8.61	-16.03	0	334.305	2.707	0	6	4	FC(F)(F)c1nnc2ccc(N(Cc3cccnc3)C3CC3)nn12
214188838	ZINC000053558926	ref	8.15	-14.65	0	344.459	2.938	1	4	6	CN(Cc1cnn(C)c1)C(=O)NCCOc1ccc(C(C)(C)C)cc1
214188842	ZINC000053578275	ref	8.38	-15.64	0	340.448	3.822	2	3	2	S=C(Nc1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21
398245935	ZINC000651440881	ref	7.35	-8.47	0	281.783	3.081	0	2	4	COC[C@@H]1CCCN1C(=O)[C@H](C)c1ccc(Cl)cc1
343994246	ZINC000599272418	ref	4.05	-47.86	1	296.411	1.557	2	4	4	C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
214188857	ZINC000053554761	ref	2.97	-23.65	0	325.375	1.999	2	8	5	CNC(=O)c1ccc(Sc2nnc(NC)s2)c([N+](=O)[O-])c1
214188862	ZINC000053559673	ref	4.35	-13.28	0	348.758	3.007	2	6	5	COC(=O)c1sc(NC[C@H](O)c2ccc(F)c(F)c2)nc1Cl
214188868	ZINC000053579874	ref	8.34	-15.48	0	341.436	3.214	1	4	4	S=C(Nc1ccc2c(c1)OCCO2)N(Cc1ccccn1)C1CC1
214188873	ZINC000053558560	ref	6.27	-21.03	0	342.42	2.081	1	4	7	N#Cc1ccc(CCC(=O)NCCS(=O)(=O)c2ccccc2)cc1
214188877	ZINC000053556804	ref	3.73	-19.07	0	329.397	0.655	1	3	4	CS(=O)(=O)N1CCN(C(=O)NCCc2ccccc2F)CC1
214188883	ZINC000053562021	ref	6.71	-13.53	0	328.441	2.655	2	5	5	Cc1cc(N)nc(SCC(=O)NC2(c3ccccc3)CCC2)n1
185089603	ZINC000096075937	mid	4.17	-41.22	1	265.313	0.611	1	4	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1ccno1)C2
290622893	ZINC000492524561	ref	3.32	-12.51	0	296.326	2.16	3	3	5	O=C(/C=C\c1ccc(O)cc1)NCC(=O)Nc1ccccc1
290622897	ZINC000492524379	ref	2.89	-12.38	0	289.36	2.185	1	5	5	COc1cncc(/C=C\C(=O)NCc2nc(C)cs2)c1
290622899	ZINC000492524072	ref	5.03	-15.31	0	271.32	2.09	1	3	5	COc1cncc(/C=C\C(=O)N(C)Cc2ccc[nH]2)c1
214188888	ZINC000053562021	low	7.13	-32.25	1	328.441	2.655	2	4	5	Cc1cc(N)nc(SCC(=O)NC2(c3ccccc3)CCC2)[nH+]1
214188893	ZINC000053574556	ref	6.66	-14.3	0	343.774	2.254	1	6	5	COc1ccc(Cl)cc1CNC(=O)c1ccc(-n2cnnn2)cc1
398249325	ZINC000649443117	ref	5.77	-6.22	0	240.302	2.823	1	2	3	OCCc1ccccc1-c1ccc2c(c1)CCO2
342081317	ZINC000064320491	ref	6.0	-11.41	0	296.327	1.066	0	6	7	CCN(C[C@H]1CCOC1)C(=O)CCn1cc([N+](=O)[O-])cn1
398249481	ZINC000651467834	high	4.73	-8.06	0	274.311	3.184	1	4	5	Cc1cc([C@@H](C)NC2CCC(OC(F)F)CC2)no1
214188836	ZINC000293628884	ref	4.83	-15.02	0	370.413	0.815	2	7	2	Cc1ccc(-n2nccc2NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)nn1
342081318	ZINC000625320206	ref	3.45	-43.15	1	297.443	1.563	3	2	7	CC(C)(C)CNC(=O)C[NH2+][C@@H](CC(N)=O)C1CCCCC1
342081319	ZINC000625320206	high	2.67	-11.47	0	297.443	1.563	3	3	7	CC(C)(C)CNC(=O)CN[C@@H](CC(N)=O)C1CCCCC1
185089607	ZINC000096077947	ref	4.5	-21.38	0	292.31	0.773	1	3	2	O=C(CO)N1CC[C@]2(CC(=O)N(c3cccc(F)c3)C2)C1
214188841	ZINC000293634472	ref	4.91	-49.25	1	358.486	0.965	3	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1
214188845	ZINC000293634472	mid	4.96	-51.75	1	358.486	0.965	3	3	5	C[C@@H]1CC(=O)N[C@H](C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)C1
342081320	ZINC000625319885	ref	9.06	-38.55	1	294.354	1.818	1	2	4	O=C1c2ccccc2C(=O)N1CC#CC[NH2+]C1(C2CC2)CC1
282123425	ZINC000369433753	high	3.41	-41.03	1	284.404	0.053	2	3	6	CN(C)C[C@@H]1CN(C(=O)NCC[N@H+](C)C2CC2)CCO1
282123426	ZINC000369433753	high	3.42	-41.38	1	284.404	0.053	2	3	6	CN(C)C[C@@H]1CN(C(=O)NCC[N@@H+](C)C2CC2)CCO1
214188848	ZINC000293634472	high	2.53	-13.53	0	358.486	0.965	2	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)C1
214188851	ZINC000293628386	ref	4.46	-14.98	0	366.447	0.428	0	8	5	CCOc1ccnc(N2CCN(S(=O)(=O)c3cnn(C)c3C)CC2)n1
214188856	ZINC000293624434	ref	6.45	-12.02	0	366.37	0.891	0	8	4	COC(=O)c1cc(C(=O)N2CCC([C@@H]3OCC[C@H]3C(=O)OC)CC2)no1
210256476	ZINC000272863786	ref	6.0	-11.72	0	312.413	2.903	3	3	8	C[C@](O)(CC(=O)NCCCNc1ccccc1)c1ccccc1
342081321	ZINC000625319885	high	7.93	-10.08	0	294.354	1.818	1	3	4	O=C1c2ccccc2C(=O)N1CC#CCNC1(C2CC2)CC1
342081322	ZINC000625319297	ref	3.23	-36.26	1	271.401	1.713	2	3	7	OC[C@@H]([NH2+]CCOC1CCOCC1)C1CCCCC1
342081323	ZINC000625319117	ref	7.31	-45.82	1	252.358	1.108	1	2	4	CCO[C@@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1
342081324	ZINC000625319117	mid	7.79	-43.79	1	252.358	1.108	1	2	4	CCO[C@@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1
342081325	ZINC000625319117	high	5.68	-8.46	0	252.358	1.108	0	3	4	CCO[C@@H](C(=O)N1CCN2CCC[C@@H]2C1)C1CC1
342081326	ZINC000625320374	ref	5.28	-8.96	0	260.341	1.175	1	3	2	C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccnn1
342081327	ZINC000625320374	mid	5.58	-38.44	1	260.341	1.175	1	3	2	C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccnn1
342081328	ZINC000625320374	high	5.28	-8.96	0	260.341	1.175	0	4	2	CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cccnn1
214188840	ZINC000278492178	ref	9.73	-36.45	1	320.392	2.648	1	2	6	O=C1c2ccccc2C(=O)N1CC[NH2+]C1(Cc2ccccc2)CC1
365620287	ZINC000565281663	ref	4.05	-38.07	1	286.379	1.379	2	4	2	N#Cc1ccncc1N1CC[NH+]([C@H]2CCCC[C@H]2O)CC1
365620297	ZINC000565281663	mid	1.82	-7.14	0	286.379	1.379	1	5	2	N#Cc1ccncc1N1CCN([C@H]2CCCC[C@H]2O)CC1
214188843	ZINC000278492894	ref	3.7	-16.15	0	303.286	1.525	1	6	9	COC[C@H](C)OC[C@H](O)COc1ccc([N+](=O)[O-])c(F)c1
282123427	ZINC000117034125	ref	7.15	-45.76	1	335.452	0.734	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cn3c(n2)CCCC3)CCO1
136229386	ZINC000195253716	mid	4.73	-90.85	2	225.336	0.004	2	1	3	CC(C)[N@@H+](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
136229387	ZINC000195253716	high	2.5	-50.64	1	225.336	0.004	1	2	3	CC(C)N(C)CC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
282123430	ZINC000117034125	low	7.56	-76.5	2	335.452	0.734	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CCO1
214188855	ZINC000278492851	ref	8.92	-40.97	1	303.431	2.793	2	3	5	c1ccc(C[N@@H+]2CCCO[C@H](CSc3ncc[nH]3)C2)cc1
342081329	ZINC000625319113	ref	7.48	-45.09	1	254.374	1.354	1	2	4	CCO[C@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C
214188858	ZINC000278492851	mid	8.51	-40.11	1	303.431	2.793	2	3	5	c1ccc(C[N@H+]2CCCO[C@H](CSc3ncc[nH]3)C2)cc1
342081330	ZINC000625319113	mid	6.92	-46.85	1	254.374	1.354	1	2	4	CCO[C@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C
136229388	ZINC000293359861	ref	5.65	-4.1	0	217.259	2.647	1	1	5	C=CCC(F)(F)C(=O)NC1(CC)CCC1
187334649	ZINC000127818983	ref	8.05	-14.19	0	282.343	2.354	0	3	3	CN(Cc1ccncc1)C(=O)[C@@H]1OCCc2ccccc21
214188860	ZINC000278492851	high	6.88	-6.92	0	303.431	2.793	1	4	5	c1ccc(CN2CCCO[C@H](CSc3ncc[nH]3)C2)cc1
342081331	ZINC000625319113	high	5.24	-9.38	0	254.374	1.354	0	3	4	CCO[C@H](C(=O)N1CCN2CCC[C@H]2C1)C(C)C
342081332	ZINC000625320395	ref	4.0	-38.62	1	257.374	1.587	1	3	6	C[C@@H]([NH2+]CCOC1CCOCC1)[C@H]1CCCOC1
342081333	ZINC000625319123	ref	7.79	-43.73	1	252.358	1.108	1	2	4	CCO[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CC1
342081334	ZINC000625319123	mid	7.34	-45.64	1	252.358	1.108	1	2	4	CCO[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C1CC1
342081335	ZINC000625319123	high	5.54	-8.49	0	252.358	1.108	0	3	4	CCO[C@@H](C(=O)N1CCN2CCC[C@H]2C1)C1CC1
342081336	ZINC000625319109	ref	7.39	-44.93	1	254.374	1.354	1	2	4	CCO[C@@H](C(=O)N1CC[N@@H+]2CCC[C@H]2C1)C(C)C
342081337	ZINC000625319109	mid	6.91	-46.85	1	254.374	1.354	1	2	4	CCO[C@@H](C(=O)N1CC[N@H+]2CCC[C@H]2C1)C(C)C
365620306	ZINC000565281662	ref	3.66	-37.26	1	286.379	1.379	2	4	2	N#Cc1ccncc1N1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1
306234480	ZINC000557851571	ref	2.78	-12.25	0	334.42	1.481	3	3	1	C[C@H]1CC2(CCC2)CN1C(=O)NC1CCC2(CC1)NC(=O)NC2=O
342597344	ZINC000590789496	ref	6.41	-43.48	1	276.38	1.97	2	2	5	CCNC(=O)CC[N@@H+]1CCCc2cc(OC)ccc2C1
365620310	ZINC000565281662	mid	1.48	-7.23	0	286.379	1.379	1	5	2	N#Cc1ccncc1N1CCN([C@@H]2CCCC[C@H]2O)CC1
365620319	ZINC000565281664	ref	3.68	-37.24	1	286.379	1.379	2	4	2	N#Cc1ccncc1N1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1
365620328	ZINC000565281664	mid	1.48	-6.93	0	286.379	1.379	1	5	2	N#Cc1ccncc1N1CCN([C@H]2CCCC[C@@H]2O)CC1
365620336	ZINC000172803545	ref	6.74	-11.97	0	287.359	1.92	1	3	2	CC1(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@H]2CCO[C@@H]21
365620345	ZINC000158173143	ref	0.29	-58.66	1	284.323	1.186	1	6	5	Cc1ccc(-c2nnc(Cn3cc(CC[NH3+])nn3)o2)cc1
365620357	ZINC000172798574	ref	5.91	-11.5	0	290.407	1.681	1	3	4	Cc1ccc(C[C@H](C)NC(=O)[C@H]2CN(C)CCO2)c(C)c1
365620362	ZINC000172798574	mid	8.16	-43.31	1	290.407	1.681	2	2	4	Cc1ccc(C[C@H](C)NC(=O)[C@H]2C[N@H+](C)CCO2)c(C)c1
365620366	ZINC000172798574	mid	8.32	-50.39	1	290.407	1.681	2	2	4	Cc1ccc(C[C@H](C)NC(=O)[C@H]2C[N@@H+](C)CCO2)c(C)c1
342597345	ZINC000590789496	mid	6.41	-43.42	1	276.38	1.97	2	2	5	CCNC(=O)CC[N@H+]1CCCc2cc(OC)ccc2C1
365620374	ZINC000172802394	ref	4.5	-37.31	1	277.368	1.066	2	3	4	O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1ccco1
365620384	ZINC000172802394	mid	4.38	-36.46	1	277.368	1.066	2	3	4	O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NCc1ccco1
365620391	ZINC000172802394	mid	2.14	-8.47	0	277.368	1.066	1	4	4	O=C(CN1CCN2CCCC[C@@H]2C1)NCc1ccco1
365620398	ZINC000565243978	ref	2.13	-49.34	1	253.331	1.136	2	4	4	Cc1nsc(NC(=O)N(C)CCC[NH3+])c1C#N
365620408	ZINC000565279257	ref	3.46	-16.61	0	279.296	1.078	2	4	6	C[C@H](C(=O)N[C@H](C)CC(N)=O)c1cccc([N+](=O)[O-])c1
365620419	ZINC000158171935	ref	3.17	-57.53	1	284.323	1.186	1	6	5	Cc1ccccc1-c1noc(Cn2cc(CC[NH3+])nn2)n1
365620432	ZINC000172795043	ref	7.25	-38.7	1	299.418	1.88	1	2	2	Cc1ccc(N2CC[C@H](N3CC[N@@H+]4CCC[C@@H]4C3)C2=O)cc1
365620439	ZINC000172795043	mid	7.76	-36.03	1	299.418	1.88	1	2	2	Cc1ccc(N2CC[C@H](N3CC[N@H+]4CCC[C@@H]4C3)C2=O)cc1
342597346	ZINC000590789496	high	4.07	-9.95	0	276.38	1.97	1	3	5	CCNC(=O)CCN1CCCc2cc(OC)ccc2C1
214188861	ZINC000293629158	ref	2.13	-12.07	0	374.441	0.818	4	4	5	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O
214188865	ZINC000293619254	ref	-0.43	-23.3	0	359.423	0.707	3	4	10	NC(=O)[C@H](NC(=O)CCCCCCS(N)(=O)=O)c1ccc(F)cc1
349536210	ZINC000602431503	ref	7.39	-42.56	1	238.331	2.342	2	2	6	CCC[N@H+](CC)Cc1cc(C)c(C(=O)OC)[nH]1
214188870	ZINC000293625132	ref	3.95	-19.06	0	373.369	0.24	1	8	5	COC[C@H]1CCN1C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1
214188875	ZINC000293629215	ref	0.25	-17.74	0	357.407	0.353	2	4	7	C[C@H](NS(C)(=O)=O)C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1
178304856	ZINC000237279678	ref	6.81	-51.73	1	362.499	1.72	2	4	6	C[NH2+]CCN(C)C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3
214188879	ZINC000293625042	ref	4.95	-14.66	0	361.446	0.999	2	5	4	CC(C)C[C@H]1C(=O)NCCCN1C(=O)C(=O)Nc1cn(C)nc1C1CC1
214188885	ZINC000293631174	ref	0.46	-20.92	0	353.4	0.123	1	5	3	CN(C(=O)c1ccc2c(c1)NC(=O)CO2)[C@H]1CCN(S(C)(=O)=O)C1
214188887	ZINC000293634440	ref	3.63	-17.62	0	361.398	0.99	2	5	5	CCOC1CN(C(=O)C(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1
214188895	ZINC000293621770	ref	5.38	-14.81	0	367.45	0.915	1	7	7	CCn1nc(C)c(C(=O)N(CCNC(C)=O)[C@@H](C)C(=O)OC(C)(C)C)n1
214188900	ZINC000293623431	ref	4.06	-21.0	0	360.414	0.434	2	4	8	C[C@H](c1ccccc1)[C@@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(N)=O
214188904	ZINC000293618775	ref	8.53	-24.53	0	350.35	0.81	1	7	7	COC(=O)[C@@H](NC(=O)COCc1nncn1C)c1ccc(F)c(C)c1
214188908	ZINC000293632289	ref	2.41	-16.98	0	370.427	0.519	1	6	6	CCOC(=O)c1cc(COC)cc(S(=O)(=O)N2CCNC(=O)[C@@H]2C)c1
214188913	ZINC000293629045	ref	3.46	-21.34	0	363.414	0.973	1	5	6	CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CC[C@@H]1COC
214188917	ZINC000293625922	ref	0.63	-14.69	0	355.398	0.612	4	5	5	NC(=O)N[C@@H](CO)C(=O)Nc1ccnc(N2CCc3ccccc3C2)c1
214188921	ZINC000293625922	mid	0.98	-40.22	1	355.398	0.612	4	4	5	NC(=O)N[C@@H](CO)C(=O)Nc1cc[nH+]c(N2CCc3ccccc3C2)c1
178304863	ZINC000237265999	ref	5.88	-40.5	1	359.47	1.724	2	3	5	COc1cc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1C
178304868	ZINC000237282045	ref	3.86	-61.95	1	356.422	1.822	2	4	5	COc1ccc(OC)c2c1CN(C(=O)[C@@H](C[NH3+])c1ccccc1)C[C@@H]2O
214188927	ZINC000293634987	ref	0.85	-12.33	0	364.446	0.42	3	5	9	CC[C@@H](C)[C@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCCN1CCOCC1
342597347	ZINC000616977287	ref	3.5	-10.56	0	278.352	1.769	2	3	6	CC[C@@H](C)N(CC)C(=O)CNC(=O)c1cccc(O)c1
342597348	ZINC000616977287	high	4.26	-51.48	-1	278.352	1.769	1	3	6	CC[C@@H](C)N(CC)C(=O)CNC(=O)c1cccc([O-])c1
342597349	ZINC000590791186	ref	7.65	-40.72	1	273.384	1.923	1	4	5	Cn1cc(CCC[N@@H+]2CCC[C@@H]2c2cnn(C)c2)cn1
342597350	ZINC000590791186	mid	8.25	-41.56	1	273.384	1.923	1	4	5	Cn1cc(CCC[N@H+]2CCC[C@@H]2c2cnn(C)c2)cn1
214188863	ZINC000278492007	ref	7.15	-45.97	1	308.319	3.429	1	2	10	CCC[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccnc1
342597351	ZINC000590791186	high	5.21	-9.26	0	273.384	1.923	0	5	5	Cn1cc(CCCN2CCC[C@@H]2c2cnn(C)c2)cn1
342597352	ZINC000616978307	ref	4.67	-11.75	0	299.415	1.04	2	3	9	CC[C@H](C)N(CC)C(=O)[C@@H](CC(N)=O)NC(=O)CC(C)C
222608934	ZINC000291775827	ref	4.97	-18.28	0	322.43	1.701	1	3	5	C=Cc1ccc(CCNC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1
222608937	ZINC000291775925	ref	5.55	-9.31	0	311.809	2.839	2	3	6	O=C(NCCC[C@@H]1CCCCO1)[C@@H](O)c1ccc(Cl)cc1
342597353	ZINC000616978727	ref	4.71	-7.86	0	256.39	1.602	0	3	6	CC[C@@H](C)N(CC)C(=O)[C@H](C)CN1CCOCC1
342597354	ZINC000616978727	mid	6.75	-39.11	1	256.39	1.602	1	2	6	CC[C@@H](C)N(CC)C(=O)[C@H](C)C[NH+]1CCOCC1
342597355	ZINC000616977378	ref	6.05	-23.08	0	265.357	1.507	0	4	5	CC[C@@H](C)N(CC)C(=O)Cn1c(C)cc(C)nc1=O
342597356	ZINC000616977521	ref	2.33	-8.87	0	269.301	1.157	2	4	5	CC[C@H](C)N(CC)C(=O)c1[nH]c(=O)[nH]c(=O)c1OC
342597357	ZINC000616977521	mid	0.53	-43.56	-1	269.301	1.157	1	4	5	CC[C@H](C)N(CC)C(=O)c1[nH]c(=O)[n-]c(=O)c1OC
342597358	ZINC000616978352	ref	4.33	-11.78	0	263.403	1.703	0	3	6	CC[C@H](C)N(CC)C(=O)[C@H](C)[C@H](C)S(C)(=O)=O
342597359	ZINC000616978178	ref	2.1	-12.25	0	299.396	1.25	1	4	6	CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)NC)nc1
214188866	ZINC000278492007	high	5.92	-10.89	0	308.319	3.429	1	3	10	CCC[C@@H](NCCOCC(F)(F)C(F)F)c1cccnc1
342597360	ZINC000616978178	high	1.31	-46.38	-1	299.396	1.25	0	4	6	CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1
349536212	ZINC000602431503	mid	7.39	-42.48	1	238.331	2.342	2	2	6	CCC[N@@H+](CC)Cc1cc(C)c(C(=O)OC)[nH]1
342597361	ZINC000616978204	ref	4.59	-9.05	0	263.341	1.458	1	3	6	CC[C@@H](C)N(CC)C(=O)CNC(=O)c1ccncc1
342597362	ZINC000590791141	ref	6.96	-47.26	1	272.352	1.456	1	4	3	Cn1cc([C@@H]2CCC[N@@H+]2Cc2ccn(C)c(=O)c2)cn1
342597363	ZINC000590791141	mid	7.63	-47.22	1	272.352	1.456	1	4	3	Cn1cc([C@@H]2CCC[N@H+]2Cc2ccn(C)c(=O)c2)cn1
342597364	ZINC000590791141	high	4.65	-15.81	0	272.352	1.456	0	5	3	Cn1cc([C@@H]2CCCN2Cc2ccn(C)c(=O)c2)cn1
365620309	ZINC000121830133	ref	6.53	-12.83	0	254.261	2.193	1	3	6	CCCCNC(=O)Cc1ccc([N+](=O)[O-])cc1F
282123431	ZINC000117034125	high	4.6	-16.27	0	335.452	0.734	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCCc2cn3c(n2)CCCC3)CCO1
365620320	ZINC000121823534	ref	6.73	-8.98	0	270.332	2.394	1	4	5	COC(=O)[C@@H](NCc1ccc(C)cn1)c1ccccc1
282123434	ZINC000184950571	ref	7.47	-45.63	1	303.406	1.126	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2Cc3ccccc3C2)CCO1
290622896	ZINC000257252020	ref	4.24	-23.44	0	322.409	0.644	1	5	5	CNC(=O)[C@]1(C)CN(C(=O)CCCn2nc(C)cc2C)CCO1
342081338	ZINC000625319109	high	5.15	-9.41	0	254.374	1.354	0	3	4	CCO[C@@H](C(=O)N1CCN2CCC[C@H]2C1)C(C)C
365620332	ZINC000121823436	ref	7.69	-12.63	0	294.358	2.456	0	5	3	COc1ccc2ccccc2c1CN1CCn2cnnc2C1
290622900	ZINC000362380447	ref	6.45	-14.73	0	304.438	2.254	1	4	4	CNC(=O)[C@]1(C)CCN(c2nc(C)c(CC(C)C)c(C)n2)C1
290622904	ZINC000072379706	ref	2.57	-23.59	0	311.382	-0.392	1	4	2	CNC(=O)[C@]1(C)CN(C(=O)C2CCN(C(C)=O)CC2)CCO1
365620342	ZINC000121823436	low	10.55	-50.26	1	294.358	2.456	1	4	3	COc1ccc2ccccc2c1C[N@@H+]1CCn2cnnc2C1
295666464	ZINC000179214772	ref	5.77	-9.38	0	272.414	2.093	1	3	2	CS[C@H]1CCCCN(C(=O)N[C@H]2CCCOC2)C1
365620348	ZINC000121823436	low	10.15	-48.9	1	294.358	2.456	1	4	3	COc1ccc2ccccc2c1C[N@H+]1CCn2cnnc2C1
295666465	ZINC000335721163	ref	6.61	-17.64	0	299.44	1.534	1	3	2	CS[C@H]1CCCCN(C(=O)N[C@H]2CCCN(C)C2=O)C1
365620356	ZINC000121826618	ref	6.89	-12.56	0	292.354	2.042	0	3	2	C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccccc3F)CC2)O1
295666466	ZINC000435776250	ref	8.76	-7.47	0	284.469	3.492	1	2	2	CS[C@H]1CCCCN(C(=O)N[C@@H]2CC[C@@H](C)CC2)C1
365620367	ZINC000121831592	ref	6.65	-11.89	0	250.346	2.461	1	3	4	CC(C)[C@H](C)N(C(=O)Nc1cnn(C)c1)C1CC1
365620380	ZINC000121824252	ref	4.38	-13.18	0	269.316	2.381	1	3	8	COCCCCCNC(=O)c1ccc(OC)c(F)c1
290622909	ZINC000257313243	ref	4.23	-18.98	0	288.351	0.84	1	4	4	CNC(=O)[C@]1(c2cnccn2)CCCN1C(=O)CC1CC1
365620390	ZINC000121822424	ref	7.88	-9.29	0	293.363	2.158	1	4	7	CC(C)OC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C
306234481	ZINC000557853413	ref	5.47	-17.76	0	331.482	1.632	1	3	7	CCN(CCC1CC1)C(=O)NC[C@@H]1CCCCN1S(C)(=O)=O
365620396	ZINC000121825524	ref	6.73	-9.41	0	278.4	2.449	1	3	2	Cc1c(CNC(=O)N2C[C@@H](C)CCC[C@H]2C)cnn1C
398249482	ZINC000062361323	high	-0.81	-18.09	0	229.28	-0.318	2	4	5	CN(CCC(=O)NC(N)=O)C[C@@H]1CCCO1
214188869	ZINC000278492441	ref	7.73	-8.48	0	302.378	2.339	1	6	6	C[C@@H](CCc1ccco1)Nc1cc(N2CCOCC2)ncn1
214188872	ZINC000278492441	low	8.21	-35.45	1	302.378	2.339	1	5	6	C[C@@H](CCc1ccco1)Nc1cc(N2CCOCC2)nc[nH+]1
214188874	ZINC000278492441	low	8.09	-33.56	1	302.378	2.339	1	5	6	C[C@@H](CCc1ccco1)Nc1cc(N2CCOCC2)[nH+]cn1
214188878	ZINC000278492500	ref	5.29	-46.56	1	321.421	2.156	3	3	5	COc1cc(C)c(NC(=O)NCC[N@@H+]2CCCOCC2)cc1C
214188881	ZINC000278492500	mid	5.3	-46.0	1	321.421	2.156	3	3	5	COc1cc(C)c(NC(=O)NCC[N@H+]2CCCOCC2)cc1C
214188882	ZINC000278492500	mid	3.09	-12.88	0	321.421	2.156	2	4	5	COc1cc(C)c(NC(=O)NCCN2CCCOCC2)cc1C
214188886	ZINC000278493914	ref	6.74	-8.26	0	305.74	2.899	0	3	2	O=C(c1cnc(Cl)cn1)N1CC[C@H](c2cccc(F)c2)C1
214188890	ZINC000278492820	ref	3.0	-56.8	1	306.478	1.369	2	4	7	O=S(=O)(NCC[NH2+]C[C@@H]1CCSC1)c1cccs1
282123433	ZINC000338114473	ref	4.85	-9.24	0	269.429	3.118	2	2	8	CCC(CC)(CO)CNC(=O)C1(CC(C)C)CCC1
214188892	ZINC000278492820	high	2.61	-45.42	0	306.478	1.369	1	4	7	O=S(=O)([N-]CC[NH2+]C[C@@H]1CCSC1)c1cccs1
342081339	ZINC000625319389	ref	2.4	-14.93	0	274.39	1.154	1	5	8	CCC[C@@H](C)CS(=O)(=O)NCc1cnnn1CC
342081340	ZINC000625319466	ref	5.67	-52.88	1	263.345	1.703	1	5	6	CC[C@@H]([NH2+]CCc1cn(C)nn1)c1c(C)noc1C
295666467	ZINC000337873755	ref	8.38	-9.04	0	326.506	3.263	1	3	2	CS[C@H]1CCCCN(C(=O)N[C@H]2CCCC23CCOCC3)C1
214188902	ZINC000278493050	ref	2.83	-25.32	0	319.361	1.476	2	4	7	C[C@@H](NC(=O)CCCC(N)=O)c1ccc(N2CCOC2=O)cc1
342081341	ZINC000625319466	high	5.14	-15.32	0	263.345	1.703	1	6	6	CC[C@@H](NCCc1cn(C)nn1)c1c(C)noc1C
342081342	ZINC000625319490	ref	1.84	-36.68	1	251.33	1.532	1	4	6	CC[C@@H]([NH2+]Cc1cncc(OC)n1)[C@H]1CCCO1
214188906	ZINC000278493916	ref	3.52	-15.58	0	317.389	1.372	2	5	8	COC[C@@H](CCO)NC(=O)Cn1cc(-c2ccccc2)c(C)n1
214188910	ZINC000278491908	ref	6.36	-40.88	1	305.422	1.875	2	3	6	CCc1ccnc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1
214188914	ZINC000278491908	mid	6.38	-41.72	1	305.422	1.875	2	3	6	CCc1ccnc(C(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)c1
214188915	ZINC000278491908	high	4.29	-8.51	0	305.422	1.875	1	4	6	CCc1ccnc(C(=O)NCCCN2CCCO[C@@H](C)C2)c1
259308621	ZINC000517230630	ref	3.81	-15.06	0	247.302	0.519	2	6	4	OC1(CNCc2nc3ncccn3n2)CCCC1
398249483	ZINC000390801281	ref	0.6	-51.95	1	215.297	-0.373	3	2	6	CC[NH2+]CCNC(=O)C(C)(C)NC(C)=O
365620314	ZINC000479695277	ref	3.81	-18.43	0	282.384	1.053	2	3	3	CC[C@@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H](O)CN2C(C)=O)CC1
214188876	ZINC000337631435	ref	1.85	-16.09	0	270.252	0.146	2	7	4	NC(=O)c1cc(CNc2ncnc3ncccc23)on1
214188880	ZINC000337632335	ref	1.58	-9.06	0	259.346	0.516	1	4	7	C[C@H](C(=O)N(C)CCOCCO)C1CCOCC1
299072326	ZINC000354603102	ref	0.47	-11.55	0	333.388	0.78	4	4	4	CC(C)[C@@H](NC(=O)C(=O)Nc1cccc2c1CNC2=O)C(C)(C)O
214188889	ZINC000337631938	ref	6.54	-41.07	1	289.37	2.204	3	1	5	C[C@@H]1CCC[N@@H+](C[C@@H](C)NC(=O)NC2(C(F)F)CC2)C1
214188891	ZINC000337631938	mid	6.46	-42.08	1	289.37	2.204	3	1	5	C[C@@H]1CCC[N@H+](C[C@@H](C)NC(=O)NC2(C(F)F)CC2)C1
290622898	ZINC000343941375	ref	5.87	-9.31	0	303.328	3.185	1	3	2	C[C@H]1CC[C@@H]1NC(=O)c1cnn(C(C)(C)C)c1C(F)(F)F
342081343	ZINC000625319490	high	0.83	-5.14	0	251.33	1.532	1	5	6	CC[C@@H](NCc1cncc(OC)n1)[C@H]1CCCO1
259308625	ZINC000517230630	mid	5.04	-47.04	1	247.302	0.519	2	5	4	OC1(C[NH2+]Cc2nc3ncccn3n2)CCCC1
214188894	ZINC000337631938	high	4.13	-5.92	0	289.37	2.204	2	2	5	C[C@@H]1CCCN(C[C@@H](C)NC(=O)NC2(C(F)F)CC2)C1
282952340	ZINC000295221878	ref	11.08	-40.07	1	265.759	3.373	1	0	2	FCC1CC[NH+](CC#Cc2cccc(Cl)c2)CC1
342081344	ZINC000625319997	ref	4.81	-14.1	0	258.321	1.444	1	2	2	C[C@H](C(=O)N1Cc2ccccc2C1)[C@@H]1CCC(=O)N1
342081345	ZINC000625319205	ref	2.79	-47.37	1	271.267	1.532	1	3	2	O=C(c1ocnc1C(F)F)N1CC[N@@H+]2CCC[C@@H]2C1
342081346	ZINC000625319205	mid	3.31	-45.94	1	271.267	1.532	1	3	2	O=C(c1ocnc1C(F)F)N1CC[N@H+]2CCC[C@@H]2C1
342081347	ZINC000625319205	high	1.08	-10.5	0	271.267	1.532	0	4	2	O=C(c1ocnc1C(F)F)N1CCN2CCC[C@@H]2C1
342081348	ZINC000625320323	ref	0.11	-40.57	1	298.427	1.066	4	3	8	NC(=O)C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCCCC1
342081349	ZINC000625319875	ref	1.15	-39.74	1	283.368	1.531	3	4	8	COC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccc(C)o1
342081350	ZINC000625319875	mid	-0.22	-8.86	0	283.368	1.531	3	5	8	COC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccc(C)o1
342081351	ZINC000625320326	ref	0.97	-45.29	1	298.427	1.066	4	3	8	NC(=O)C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCCCC1
342081352	ZINC000625320394	ref	3.88	-38.91	1	257.374	1.587	1	3	6	C[C@@H]([NH2+]CCOC1CCOCC1)[C@@H]1CCCOC1
342081353	ZINC000625320174	ref	2.69	-38.96	1	284.4	1.062	2	3	9	CCO[C@H](C[NH2+][C@@H](CC(N)=O)C1CCOCC1)C1CC1
342081354	ZINC000625320105	ref	4.82	-12.64	0	272.352	1.424	1	4	4	COc1cccc2c1CC[N@H+](CCc1cn(C)nn1)C2
342081355	ZINC000625320105	mid	7.09	-44.98	1	272.352	1.424	1	4	4	COc1cccc2c1CC[N@@H+](CCc1cn(C)nn1)C2
282123435	ZINC000171336710	ref	6.69	-13.48	0	288.326	1.779	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)ccc1C)CC2
214188905	ZINC000337630092	ref	8.15	-6.8	0	264.413	3.445	2	1	5	CCC1CCC(NC(=O)NCC2(C3CC3)CC2)CC1
214188909	ZINC000337632016	ref	7.4	-42.17	1	295.349	2.312	2	1	5	CC[N@@H+]1CCC[C@H](CNC(=O)N(C)CCC(F)(F)F)C1
214188912	ZINC000337632016	mid	7.37	-39.48	1	295.349	2.312	2	1	5	CC[N@H+]1CCC[C@H](CNC(=O)N(C)CCC(F)(F)F)C1
214188916	ZINC000337631867	ref	5.66	-21.05	0	274.328	0.541	2	5	5	O=C1CCCCN1CCCNc1ncnc2n[nH]cc12
214188920	ZINC000337629586	ref	9.04	-12.27	0	282.343	3.246	1	3	6	CCc1cccnc1NC(=O)CCC(=O)c1ccccc1
214188924	ZINC000337628657	ref	3.98	-10.53	0	298.427	2.307	2	3	7	COCCOCCNC(=O)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
342081356	ZINC000625320105	high	4.82	-12.64	0	272.352	1.424	0	5	4	COc1cccc2c1CCN(CCc1cn(C)nn1)C2
342081357	ZINC000625319564	ref	5.54	-22.46	0	289.383	1.542	2	5	5	C[C@@H](NCC(=O)NCC(C)(C)C)c1nnc2ccccn12
185089613	ZINC000096076007	ref	8.12	-39.18	1	274.368	1.12	1	3	3	Cn1ccnc1C(=O)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
259308628	ZINC000187709351	ref	5.9	-8.32	0	227.348	2.162	0	2	3	CO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)CC[C@@H]1C
214188928	ZINC000337632129	ref	3.62	-51.24	1	284.404	0.672	4	2	7	CCCC[C@@H](NC(N)=O)C(=O)NCC1CC[NH+](C)CC1
342081358	ZINC000625319564	low	6.69	-53.78	1	289.383	1.542	2	4	5	C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1nnc2ccccn12
342081359	ZINC000625319207	ref	3.18	-45.41	1	271.267	1.532	1	3	2	O=C(c1ocnc1C(F)F)N1CC[N@@H+]2CCC[C@H]2C1
342081360	ZINC000625319207	mid	2.75	-47.33	1	271.267	1.532	1	3	2	O=C(c1ocnc1C(F)F)N1CC[N@H+]2CCC[C@H]2C1
342081361	ZINC000625319207	high	1.05	-10.49	0	271.267	1.532	0	4	2	O=C(c1ocnc1C(F)F)N1CCN2CCC[C@H]2C1
342081362	ZINC000625319121	ref	7.25	-47.4	1	252.358	1.108	1	2	4	CCO[C@H](C(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CC1
342081363	ZINC000625319121	mid	7.7	-45.13	1	252.358	1.108	1	2	4	CCO[C@H](C(=O)N1CC[N@H+]2CCC[C@@H]2C1)C1CC1
342081364	ZINC000625319121	high	5.59	-9.64	0	252.358	1.108	0	3	4	CCO[C@H](C(=O)N1CCN2CCC[C@@H]2C1)C1CC1
342081365	ZINC000625320325	ref	-0.27	-45.01	1	298.427	1.066	4	3	8	NC(=O)C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCCCC1
342081366	ZINC000625319531	ref	4.68	-37.61	1	256.39	1.696	2	2	6	CC[C@@H]([NH2+]CC(=O)NCC(C)(C)C)[C@@H]1CCCO1
342081367	ZINC000625319531	high	3.55	-6.59	0	256.39	1.696	2	3	6	CC[C@@H](NCC(=O)NCC(C)(C)C)[C@@H]1CCCO1
365620325	ZINC000625022681	ref	8.05	-21.02	0	314.385	2.275	1	3	4	CCc1oc2ccccc2c1CC(=O)N1CCC[C@H]1C(=O)NC
365638696	ZINC000617442067	ref	1.17	-18.25	0	286.295	0.208	2	6	3	C[C@H]1C[C@@H](NC(=O)c2cccc(C(N)=O)n2)c2ncnn21
365638700	ZINC000617441644	ref	4.15	-17.33	0	287.327	0.57	1	7	3	C[C@H]1C[C@H](NC(=O)c2cnc(N(C)C)cn2)c2ncnn21
365638703	ZINC000617440044	ref	6.79	-28.44	0	291.355	0.801	1	5	4	CC[C@H](C(=O)N[C@@H]1C[C@@H](C)n2ncnc21)N1CCCC1=O
365638706	ZINC000617440070	ref	4.25	-22.92	0	293.356	0.619	2	7	4	Cc1nc(SCC(=O)N[C@H]2C[C@H](C)n3ncnc32)n[nH]1
365638707	ZINC000617440070	mid	4.67	-21.21	0	293.356	0.619	2	7	4	Cc1nnc(SCC(=O)N[C@H]2C[C@H](C)n3ncnc32)[nH]1
365638711	ZINC000617440070	mid	4.34	-19.36	0	293.356	0.619	2	7	4	Cc1n[nH]c(SCC(=O)N[C@H]2C[C@H](C)n3ncnc32)n1
365638713	ZINC000617440046	ref	6.78	-23.09	0	291.355	0.801	1	5	4	CC[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)N1CCCC1=O
365638716	ZINC000617440045	ref	6.78	-27.5	0	291.355	0.801	1	5	4	CC[C@H](C(=O)N[C@@H]1C[C@H](C)n2ncnc21)N1CCCC1=O
365638717	ZINC000617440670	ref	4.2	-26.22	0	284.283	0.152	1	8	2	C[C@@H]1C[C@@H](NC(=O)c2ccc3nnnn3c2)c2ncnn21
365638721	ZINC000617441457	ref	3.4	-26.74	0	283.295	0.985	2	6	2	C[C@H]1C[C@H](NC(=O)c2cccc3n[nH]nc23)c2ncnn21
343994248	ZINC000073757859	ref	-1.06	-10.93	0	243.332	0.961	3	4	6	C[C@@H](CCO)CNC(=O)NCc1nccs1
365638722	ZINC000617441457	low	3.39	-30.43	0	283.295	0.985	2	6	2	C[C@H]1C[C@H](NC(=O)c2cccc3[nH]nnc23)c2ncnn21
342081368	ZINC000625320104	ref	2.12	-14.59	0	274.39	1.154	1	5	7	CCn1nncc1CNS(=O)(=O)CC(C)(C)CC
365638725	ZINC000617441457	high	3.18	-63.22	-1	283.295	0.985	1	6	2	C[C@H]1C[C@H](NC(=O)c2cccc3nn[n-]c23)c2ncnn21
282123661	ZINC000151697541	low	7.08	-40.29	1	321.509	2.345	2	2	4	C[C@H](CNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)[NH+]1CCN(C)CC1
365638729	ZINC000617441457	high	3.24	-62.75	-1	283.295	0.985	1	6	2	C[C@H]1C[C@H](NC(=O)c2cccc3[n-]nnc23)c2ncnn21
342081369	ZINC000625319462	ref	2.65	-41.55	1	282.384	1.998	3	4	7	CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1c(C)noc1C
342081370	ZINC000625319462	high	2.03	-6.18	0	282.384	1.998	3	5	7	CC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1c(C)noc1C
365638730	ZINC000617441457	high	3.39	-63.16	-1	283.295	0.985	1	6	2	C[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc23)c2ncnn21
214188907	ZINC000053556833	ref	4.8	-19.29	0	332.425	1.956	1	4	6	CN(C)c1cccc(C(=O)NCCS(=O)(=O)c2ccccc2)c1
214188911	ZINC000053572891	ref	7.22	-13.55	0	327.749	3.103	1	7	5	COC(=O)c1sc(NCc2ccccc2[N+](=O)[O-])nc1Cl
214188918	ZINC000053574176	ref	9.06	-12.75	0	332.419	2.936	0	2	2	CC1CCN(C(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)CC1
214188923	ZINC000053574967	ref	7.23	-13.2	0	327.749	3.103	1	7	5	COC(=O)c1sc(NCc2ccc([N+](=O)[O-])cc2)nc1Cl
214188929	ZINC000053563851	ref	9.53	-10.99	0	326.444	3.119	1	3	4	C[C@H]1C[C@H](C)CN(C(=O)NCc2ccc(Cn3cccn3)cc2)C1
214188934	ZINC000053573195	ref	2.48	-17.53	0	340.401	0.897	1	5	6	CC[C@]1(c2ccc(OC)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O
214188937	ZINC000053573375	ref	6.95	-16.78	0	347.465	3.14	1	6	6	CCc1cc2c(NCCS(=O)(=O)c3ccccc3)ncnc2s1
214188943	ZINC000053576035	ref	3.31	-12.54	0	340.379	3.273	3	4	2	CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3c(c2)NC(=O)CO3)c1
398245936	ZINC000390776256	mid	7.21	-41.58	1	246.354	1.782	1	2	5	CC(=O)CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1
342081371	ZINC000625320283	ref	6.79	-40.19	1	291.443	1.6	2	3	6	C[C@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1
342081372	ZINC000625320283	mid	6.32	-40.89	1	291.443	1.6	2	3	6	C[C@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1
342081373	ZINC000625320283	high	5.81	-45.32	1	291.443	1.6	2	4	6	C[C@H](NCCc1cn(C)nn1)[C@H]1CCC[N@@H+](C2CCC2)C1
342081374	ZINC000625320283	high	6.32	-40.89	1	291.443	1.6	2	4	6	C[C@H](NCCc1cn(C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1
342081375	ZINC000625320283	high	5.81	-45.32	1	291.443	1.6	1	4	6	C[C@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCCN(C2CCC2)C1
342081376	ZINC000625320007	ref	4.79	-14.37	0	258.321	1.444	1	2	2	C[C@@H](C(=O)N1Cc2ccccc2C1)[C@H]1CCC(=O)N1
398245939	ZINC000390776256	high	4.74	-7.7	0	246.354	1.782	0	3	5	CC(=O)CN(C)[C@@H]1CCN(Cc2ccccc2)C1
342081377	ZINC000625319767	ref	3.36	-7.31	0	293.407	1.985	2	3	8	Cc1ccc(C[N@H+](CCO)CCOC2CCOCC2)cc1
342081378	ZINC000625319767	mid	5.61	-37.29	1	293.407	1.985	2	3	8	Cc1ccc(C[N@@H+](CCO)CCOC2CCOCC2)cc1
214188957	ZINC000053565474	ref	5.88	-12.91	0	325.29	2.437	1	4	3	CNC(=O)C(=O)c1c(C)nn(-c2cccc(C(F)(F)F)c2)c1C
259308632	ZINC000306096189	ref	7.42	-7.62	0	238.375	3.149	1	1	2	CC[C@@H]1CC[C@H](C)N(C(=O)NC2CCCC2)C1
349536215	ZINC000602431503	high	5.3	-5.65	0	238.331	2.342	1	3	6	CCCN(CC)Cc1cc(C)c(C(=O)OC)[nH]1
197595487	ZINC000162841261	ref	6.48	-9.5	0	317.414	2.851	1	4	5	CCN(CCc1nccs1)C(=O)N[C@H]1COc2ccccc21
342597365	ZINC000616977700	ref	6.18	-15.52	0	253.346	1.755	0	4	6	CC[C@H](C)N(CC)C(=O)[C@@H](OC)c1cnn(C)c1
342597366	ZINC000616978717	ref	5.88	-16.67	0	262.313	1.695	1	4	4	CC[C@@H](C)N(CC)C(=O)c1cccn2c(=O)[nH]nc12
342597367	ZINC000616978114	ref	4.22	-47.17	-1	256.375	1.191	0	4	5	CC[C@H](C)N(CC)C(=O)Cc1n[n-]c(=NC)s1
342597368	ZINC000616978114	low	4.32	-11.1	0	256.375	1.191	1	4	5	CC[C@H](C)N(CC)C(=O)Cc1n[nH]c(=NC)s1
222608957	ZINC000222519628	ref	6.79	-17.22	0	380.897	3.098	1	3	7	CN(c1ccc(C(=O)NCCCc2ccccc2)c(Cl)c1)S(C)(=O)=O
342597369	ZINC000616977453	ref	5.75	-10.08	0	280.372	1.575	0	5	6	CC[C@H](C)N(CC)C(=O)c1cn(CC2(C)COC2)nn1
342597370	ZINC000616978109	ref	6.05	-16.32	0	253.298	1.909	0	4	5	CC[C@@H](C)N(CC)C(=O)c1cc(=O)c(OC)co1
222608972	ZINC000222572536	ref	9.65	-10.8	0	383.517	4.467	0	6	5	COc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)ccc1OC(C)C
342597371	ZINC000590790931	ref	7.84	-43.68	1	276.384	1.569	1	3	5	Cn1cc([C@H]2CCC[N@@H+]2CCCN2CCCC2=O)cn1
342597372	ZINC000590790931	mid	7.13	-42.0	1	276.384	1.569	1	3	5	Cn1cc([C@H]2CCC[N@H+]2CCCN2CCCC2=O)cn1
342597373	ZINC000590790931	high	5.51	-10.3	0	276.384	1.569	0	4	5	Cn1cc([C@H]2CCCN2CCCN2CCCC2=O)cn1
342597374	ZINC000590789503	ref	5.56	-43.86	1	262.353	1.579	2	2	4	CNC(=O)CC[N@@H+]1CCCc2cc(OC)ccc2C1
342597375	ZINC000590789503	mid	5.56	-43.88	1	262.353	1.579	2	2	4	CNC(=O)CC[N@H+]1CCCc2cc(OC)ccc2C1
168364961	ZINC000308951754	ref	4.14	-34.39	1	215.337	1.552	2	2	7	CCC(CC)C[NH2+][C@H](CO)[C@H]1CCCO1
222608981	ZINC000222499818	ref	7.3	-16.64	0	394.924	3.844	1	3	5	Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1
365620326	ZINC000641588942	ref	2.17	-8.86	0	297.152	1.359	1	3	1	Cc1c(Br)cncc1C(=O)N1C[C@@H]2C[C@]2(O)C1
342597376	ZINC000590789503	high	3.22	-10.37	0	262.353	1.579	1	3	4	CNC(=O)CCN1CCCc2cc(OC)ccc2C1
214188919	ZINC000278492043	ref	7.73	-13.38	0	322.342	2.525	0	7	7	COC[C@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1
342597377	ZINC000616977428	ref	4.54	-10.53	0	254.374	1.925	1	2	5	CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1
342597378	ZINC000616978310	ref	6.25	-16.66	0	274.324	1.991	1	4	4	CC[C@@H](C)N(CC)C(=O)c1cc2c(=O)[nH]cnc2cn1
342597379	ZINC000590790930	ref	7.13	-41.37	1	276.384	1.569	1	3	5	Cn1cc([C@@H]2CCC[N@@H+]2CCCN2CCCC2=O)cn1
197595492	ZINC000162840568	ref	6.05	-14.34	0	317.36	3.076	2	3	6	CCOc1cccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1
398245938	ZINC000649443905	ref	7.28	-6.52	0	239.318	3.649	1	2	1	CC1(C)Cc2cccc(-c3ccc(N)cc3)c2O1
365620327	ZINC000576529317	ref	8.15	-6.23	0	249.314	1.843	1	5	8	C=CCCCCCNc1ncc(C(=O)OC)cn1
365620337	ZINC000576532041	ref	7.12	-34.71	1	239.359	2.452	1	2	7	C1CC[C@H](OCCC[NH2+]C2(C3CC3)CC2)OC1
365620347	ZINC000576532696	ref	7.9	-41.79	1	241.419	3.606	1	1	7	CCC[C@H](C)C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1
365620354	ZINC000576532038	ref	7.12	-34.95	1	239.359	2.452	1	2	7	C1CC[C@@H](OCCC[NH2+]C2(C3CC3)CC2)OC1
365620359	ZINC000576531429	ref	-1.67	-8.04	0	203.282	0.425	3	3	5	CC(C)(O)CCC(=O)NCC(C)(C)O
168364967	ZINC000021012441	ref	6.9	-2.0	0	213.271	3.813	1	1	5	CCC(CC)CNc1cc(F)ccc1F
342081379	ZINC000625319767	high	3.36	-7.31	0	293.407	1.985	1	4	8	Cc1ccc(CN(CCO)CCOC2CCOCC2)cc1
342081380	ZINC000625319487	ref	1.69	-37.94	1	251.33	1.532	1	4	6	CC[C@@H]([NH2+]Cc1cncc(OC)n1)[C@@H]1CCCO1
342081381	ZINC000625319487	high	0.52	-4.54	0	251.33	1.532	1	5	6	CC[C@@H](NCc1cncc(OC)n1)[C@@H]1CCCO1
342081382	ZINC000625319266	ref	3.23	-37.69	1	271.401	1.713	2	3	7	OC[C@H]([NH2+]CCOC1CCOCC1)C1CCCCC1
342081383	ZINC000625320173	ref	2.81	-40.21	1	284.4	1.062	2	3	9	CCO[C@@H](C[NH2+][C@H](CC(N)=O)C1CCOCC1)C1CC1
342088439	ZINC000121525166	low	5.91	-39.01	1	279.365	1.601	1	4	6	COCc1ccsc1C(=O)NCCc1c[nH+]cn1C
342088440	ZINC000618611973	ref	4.98	-9.6	0	250.346	1.917	1	4	6	CCn1nnc(C)c1C(=O)NCCCC1CCC1
342088441	ZINC000609046458	ref	6.69	-46.8	1	289.423	1.961	2	3	9	CCN(C[C@@H](C)C#N)C[C@@H](O)C[N@H+](C)Cc1ccccc1
342088442	ZINC000609046458	mid	6.73	-46.04	1	289.423	1.961	2	3	9	CCN(C[C@@H](C)C#N)C[C@@H](O)C[N@@H+](C)Cc1ccccc1
342088443	ZINC000609046458	high	4.32	-7.47	0	289.423	1.961	1	4	9	CCN(C[C@@H](O)CN(C)Cc1ccccc1)C[C@@H](C)C#N
342088444	ZINC000121512976	ref	4.77	-15.12	0	250.327	1.158	1	5	4	Cc1nscc1C(=O)NCCc1cncn1C
342088445	ZINC000121512976	low	5.28	-41.76	1	250.327	1.158	1	4	4	Cc1nscc1C(=O)NCCc1c[nH+]cn1C
342088446	ZINC000121343137	ref	5.53	-50.0	-1	274.704	1.548	1	5	6	CC[C@@H](NC(=O)CCc1c(C)noc1Cl)C(=O)[O-]
342088447	ZINC000121364532	ref	4.65	-16.65	0	287.294	1.909	0	4	3	O=C(c1ccncc1F)N1CC[C@@H](Oc2ccncc2)C1
342088448	ZINC000121364532	low	5.11	-46.89	1	287.294	1.909	0	3	3	O=C(c1ccncc1F)N1CC[C@@H](Oc2cc[nH+]cc2)C1
178304874	ZINC000237282045	high	3.48	-12.02	0	356.422	1.822	2	5	5	COc1ccc(OC)c2c1CN(C(=O)[C@@H](CN)c1ccccc1)C[C@@H]2O
214188922	ZINC000278493222	ref	5.46	-44.06	1	321.425	1.119	2	4	7	CCOCC[N@@H+]1CCN(C(=O)NCc2cccnn2)C[C@@H]1CC
185089614	ZINC000096076007	mid	8.16	-39.91	1	274.368	1.12	1	3	3	Cn1ccnc1C(=O)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
398245940	ZINC000650858648	mid	6.37	-45.99	1	275.343	1.769	2	1	2	C[N@H+]1CCC[C@H](CNC(=O)N2CCCC(F)(F)C2)C1
214188925	ZINC000278493222	mid	5.21	-44.51	1	321.425	1.119	2	4	7	CCOCC[N@H+]1CCN(C(=O)NCc2cccnn2)C[C@@H]1CC
178304881	ZINC000237281497	ref	6.74	-53.88	1	373.457	1.8	1	6	6	COc1ccc(CN(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)c(OC)c1
342597380	ZINC000590790930	mid	7.78	-40.98	1	276.384	1.569	1	3	5	Cn1cc([C@@H]2CCC[N@H+]2CCCN2CCCC2=O)cn1
185089615	ZINC000096076007	high	5.15	-9.25	0	274.368	1.12	0	4	3	Cn1ccnc1C(=O)N1CC[C@]2(CCN2CC2CC2)C1
178304887	ZINC000237268889	ref	6.18	-57.97	1	359.47	1.291	2	3	9	COCC[NH2+]CCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
178304891	ZINC000237268889	high	4.84	-18.24	0	359.47	1.291	2	4	9	COCCNCCNC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1
178304893	ZINC000237274518	ref	9.51	-56.12	1	371.397	1.273	1	6	5	C[NH2+]C[C@H]1CCCN1C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O
178304898	ZINC000237278970	ref	6.2	-45.6	1	371.441	1.419	1	6	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2C)C1
178304900	ZINC000237276073	ref	3.2	-50.03	1	351.516	1.565	2	4	8	CSCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1
178304905	ZINC000237276073	low	5.67	-102.74	2	351.516	1.565	3	3	8	CSCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(C)c1)[NH+]1CCOCC1
178304909	ZINC000237276073	high	2.9	-8.25	0	351.516	1.565	2	5	8	CSCC[C@@H](N)C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1
214188926	ZINC000278493222	mid	2.98	-12.73	0	321.425	1.119	1	5	7	CCOCCN1CCN(C(=O)NCc2cccnn2)C[C@@H]1CC
214188931	ZINC000278492865	ref	5.04	-6.66	0	320.389	1.886	1	4	2	COc1cc(C)c(NC(=O)C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1C
214188935	ZINC000278492052	ref	6.04	-12.62	0	303.337	2.166	1	4	3	C[C@H]1COCC[C@@H]1NC(=O)c1ccn(-c2ccccc2F)n1
178304913	ZINC000237283041	ref	7.03	-49.78	1	363.487	1.408	2	6	9	CSCC[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1nnc2ccccn12
398245942	ZINC000650858648	high	4.43	-10.71	0	275.343	1.769	1	2	2	CN1CCC[C@H](CNC(=O)N2CCCC(F)(F)C2)C1
214188930	ZINC000293634987	low	3.26	-50.78	1	364.446	0.42	4	4	9	CC[C@@H](C)[C@H](NC(=O)c1cc(C=O)c[nH]1)C(=O)NCC[NH+]1CCOCC1
342081384	ZINC000625320596	ref	6.58	-46.36	1	276.384	1.592	2	3	5	C=CC[NH+]1CCC(NC(=O)c2cn(CC)nc2C)CC1
342081385	ZINC000625320596	high	4.2	-11.96	0	276.384	1.592	1	4	5	C=CCN1CCC(NC(=O)c2cn(CC)nc2C)CC1
295666468	ZINC000128893138	ref	5.54	-18.6	0	285.413	1.144	1	3	2	CS[C@H]1CCCCN(C(=O)N[C@H]2CCN(C)C2=O)C1
300267985	ZINC000337208350	low	-0.2	-36.4	1	270.295	0.298	3	3	4	C[C@H]1C[N@@H+](C[C@](C)(O)C(F)(F)F)CCN1CCO
136229389	ZINC000293348410	ref	5.14	-10.89	0	230.311	1.969	1	2	4	CC#CCN(C)[C@H](C)C(=O)Nc1ccccc1
136229390	ZINC000293348410	low	7.5	-38.92	1	230.311	1.969	2	1	4	CC#CC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1
136229391	ZINC000293348410	low	7.48	-38.25	1	230.311	1.969	2	1	4	CC#CC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1
136229392	ZINC000293003439	ref	6.78	-3.74	0	217.287	2.517	1	0	1	C[C@H]1[C@H](C)C[N@@H+]1CC#Cc1ccc(F)cc1
136229393	ZINC000293003439	mid	9.56	-35.19	1	217.287	2.517	1	0	1	C[C@H]1[C@H](C)C[N@H+]1CC#Cc1ccc(F)cc1
136229394	ZINC000293003439	mid	6.78	-3.74	0	217.287	2.517	0	1	1	C[C@H]1[C@H](C)CN1CC#Cc1ccc(F)cc1
178304875	ZINC000044183894	low	6.53	-30.66	1	218.3	2.595	1	2	2	Cc1cc2[nH+]cn([C@@H](C)[C@@H](C)O)c2cc1C
197595500	ZINC000290100546	ref	6.47	-8.1	0	273.361	3.285	1	4	3	Cc1ccc(NC(=O)c2snnc2C2CC2)cc1C
342081386	ZINC000625320491	ref	1.38	-44.31	1	251.33	1.39	1	4	5	COc1cncc(C[NH2+][C@H](C)[C@H]2CCCOC2)n1
343994250	ZINC000599272418	mid	4.22	-48.81	1	296.411	1.557	2	4	4	C[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
136229395	ZINC000293011489	ref	8.55	-15.91	0	232.291	1.64	1	6	4	C=C(C)Cn1c(C)nnc1Nc1cnn(C)c1
136229396	ZINC000293352441	ref	4.05	-9.9	0	210.321	1.245	1	2	5	CC#CCN(C)[C@@H](C)C(=O)N[C@H](C)CC
282123436	ZINC000263870567	ref	6.6	-26.04	0	340.343	1.721	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1c[nH]c3cc([N+](=O)[O-])ccc13)CC2
342081387	ZINC000625320491	high	0.17	-6.21	0	251.33	1.39	1	5	5	COc1cncc(CN[C@H](C)[C@H]2CCCOC2)n1
342081388	ZINC000625321226	ref	3.6	-40.75	1	270.417	1.679	3	2	6	CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)C1CCCCC1
342081389	ZINC000625321226	high	2.63	-8.68	0	270.417	1.679	3	3	6	CC(C)(C)CNC(=O)CN[C@@H](CO)C1CCCCC1
342081390	ZINC000625321549	ref	2.43	-17.8	0	284.323	1.379	1	7	5	COc1cncc(CN[C@H](C)c2nnc3ccccn23)n1
342081391	ZINC000625321549	low	3.7	-54.19	1	284.323	1.379	1	6	5	COc1cncc(C[NH2+][C@H](C)c2nnc3ccccn23)n1
178304879	ZINC000044184020	ref	7.41	-10.41	0	246.354	3.06	1	3	2	Cc1cc2ncn(C[C@H](O)C(C)(C)C)c2cc1C
178304884	ZINC000044184020	low	7.88	-33.08	1	246.354	3.06	1	2	2	Cc1cc2[nH+]cn(C[C@H](O)C(C)(C)C)c2cc1C
214188932	ZINC000337631297	ref	7.98	-11.46	0	299.418	3.448	1	3	6	CCC(C)(C)c1ccc(CNC(=O)[C@@H](C)n2cccn2)cc1
185089616	ZINC000096077958	ref	2.78	-47.42	1	264.329	-0.159	2	4	3	Cn1cc(N2C[C@]3(CC[N@H+](CCO)C3)CC2=O)cn1
214188936	ZINC000337631216	ref	5.1	-46.85	1	251.334	0.278	3	3	7	O=C(NCCCn1ccnc1)NCC[NH+]1CCC1
185089617	ZINC000096077958	mid	3.06	-46.85	1	264.329	-0.159	2	4	3	Cn1cc(N2C[C@]3(CC[N@@H+](CCO)C3)CC2=O)cn1
214188940	ZINC000337631216	mid	1.92	-14.02	0	251.334	0.278	2	4	7	O=C(NCCCn1ccnc1)NCCN1CCC1
214188942	ZINC000337631216	low	5.62	-83.63	2	251.334	0.278	3	2	7	O=C(NCCCn1cc[nH+]c1)NCC[NH+]1CCC1
214188945	ZINC000337631959	ref	9.63	-38.48	1	288.435	3.158	1	1	7	CC(C)CN(C(=O)C[NH2+]C(C)(C)c1ccccc1)C1CC1
214188948	ZINC000337631959	high	8.55	-7.39	0	288.435	3.158	1	2	7	CC(C)CN(C(=O)CNC(C)(C)c1ccccc1)C1CC1
178304886	ZINC000019409089	ref	9.62	-45.01	-1	246.31	2.935	0	4	3	Cc1cc2ncn([C@H](C(=O)[O-])C(C)C)c2cc1C
214188950	ZINC000337630382	ref	2.6	-14.26	0	283.372	0.274	2	3	4	CC(=O)N[C@H](C)C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1
178304890	ZINC000019409089	low	10.09	-30.79	0	246.31	2.935	0	3	3	Cc1cc2[nH+]cn([C@H](C(=O)[O-])C(C)C)c2cc1C
178304894	ZINC000128322292	ref	9.07	-9.09	0	244.338	3.222	0	3	3	Cc1cc2ncn(CC[C@@H]3CCCO3)c2cc1C
214188953	ZINC000337628440	ref	1.07	-20.53	0	287.36	-0.354	2	4	7	CC(C)N1CC[C@H](NC(=O)N(C)CCOCCO)C1=O
185089618	ZINC000096077958	high	0.53	-10.52	0	264.329	-0.159	1	5	3	Cn1cc(N2C[C@]3(CCN(CCO)C3)CC2=O)cn1
214188956	ZINC000337628637	ref	6.54	-39.54	1	279.384	0.694	1	2	4	CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1
214188960	ZINC000337628637	mid	6.91	-38.15	1	279.384	0.694	1	2	4	CCC[N@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1
178304897	ZINC000128322292	low	9.54	-31.99	1	244.338	3.222	0	2	3	Cc1cc2[nH+]cn(CC[C@@H]3CCCO3)c2cc1C
178304901	ZINC000000083185	ref	7.9	-11.23	0	240.262	2.935	0	4	1	Cc1cc2ncn(C(=O)c3ccco3)c2cc1C
214188961	ZINC000337628637	high	4.14	-8.46	0	279.384	0.694	0	3	4	CCCN1CCC[C@@H]1C(=O)N1CCN(C2CC2)C(=O)C1
398245941	ZINC000036134675	ref	2.25	-46.24	1	241.335	0.097	2	2	6	CC(C)C[C@@H]([NH3+])C(=O)N(C)CC(=O)NC1CC1
349536218	ZINC000602431552	ref	3.25	-7.87	0	245.319	0.677	0	5	7	CCCN(CC(=O)OC)C[C@@]1(OC)CCOC1
342597381	ZINC000590790930	high	4.83	-12.57	0	276.384	1.569	0	4	5	Cn1cc([C@@H]2CCCN2CCCN2CCCC2=O)cn1
342597382	ZINC000590789649	ref	5.04	-9.99	0	273.34	1.443	1	5	3	Cn1ncc2c(=O)[nH]c(CN3CCC[C@H]3C3CC3)nc21
342597383	ZINC000590789649	mid	7.25	-50.6	1	273.34	1.443	2	4	3	Cn1ncc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3C3CC3)nc21
342597384	ZINC000590789649	mid	6.93	-48.37	1	273.34	1.443	2	4	3	Cn1ncc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3C3CC3)nc21
342597385	ZINC000616978306	ref	4.22	-12.65	0	299.415	1.04	2	3	9	CC[C@@H](C)N(CC)C(=O)[C@H](CC(N)=O)NC(=O)CC(C)C
342597386	ZINC000616977713	ref	4.13	-16.4	0	277.368	1.844	2	3	7	CC[C@H](C)N(CC)C(=O)CNc1ccccc1C(N)=O
398245943	ZINC000649444001	ref	4.81	-43.49	1	244.338	1.9	1	2	2	C1=C(c2cccc(N3CCOCC3)c2)CC[NH2+]C1
342597387	ZINC000590789521	ref	5.01	-8.87	0	288.391	1.97	1	3	5	COc1ccc2c(c1)CCCN(CC(=O)NCC1CC1)C2
282123437	ZINC000344613088	ref	2.28	-10.5	0	296.333	2.425	3	2	7	CCC(CC)(CO)CNC(=O)N[C@@H](C1CC1)C(F)(F)F
342597388	ZINC000590789521	mid	7.37	-42.46	1	288.391	1.97	2	2	5	COc1ccc2c(c1)CCC[N@@H+](CC(=O)NCC1CC1)C2
342597389	ZINC000590789521	mid	7.37	-42.47	1	288.391	1.97	2	2	5	COc1ccc2c(c1)CCC[N@H+](CC(=O)NCC1CC1)C2
342597390	ZINC000616978590	ref	6.11	-10.99	0	262.313	1.695	1	4	4	CC[C@H](C)N(CC)C(=O)c1ccc2n[nH]c(=O)n2c1
342597391	ZINC000590790933	ref	4.13	-9.05	0	291.282	1.076	1	4	2	COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@@H](F)C1
342597392	ZINC000616977429	ref	4.67	-17.35	0	254.374	1.925	1	2	5	CC[C@H](C)N(CC)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1
214188938	ZINC000293620650	ref	-0.05	-15.96	0	354.354	0.761	2	5	4	Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C(N)=O)c(C(F)(F)F)n1
214188941	ZINC000293620650	mid	-0.14	-52.56	-1	354.354	0.761	1	5	4	Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(N)=O)c(C(F)(F)F)n1
342597393	ZINC000616978729	ref	4.64	-7.94	0	256.39	1.602	0	3	6	CC[C@@H](C)N(CC)C(=O)[C@@H](C)CN1CCOCC1
342597394	ZINC000616978729	mid	6.93	-39.26	1	256.39	1.602	1	2	6	CC[C@@H](C)N(CC)C(=O)[C@@H](C)C[NH+]1CCOCC1
230233768	ZINC000331077098	ref	-2.72	-16.76	0	293.389	-1.298	1	5	6	COC[C@@H](C)C(=O)N1CCN(CCS(N)(=O)=O)CC1
342597395	ZINC000616977944	ref	2.29	-43.75	-1	258.347	1.249	1	4	6	CC[C@H](C)N(CC)C(=O)CSc1n[nH]c(=O)[n-]1
342597396	ZINC000616977944	low	3.48	-10.62	0	258.347	1.249	2	4	6	CC[C@H](C)N(CC)C(=O)CSc1n[nH]c(=O)[nH]1
342597397	ZINC000616978205	ref	4.71	-9.05	0	263.341	1.458	1	3	6	CC[C@H](C)N(CC)C(=O)CNC(=O)c1ccncc1
282123438	ZINC000184950571	high	4.93	-9.77	0	303.406	1.126	1	3	3	CN(C)C[C@@H]1CN(C(=O)NC2Cc3ccccc3C2)CCO1
282123440	ZINC000335856479	ref	5.56	-40.31	1	273.402	0.418	1	3	2	C[NH+](C)C[C@@H]1CN(C(=O)N2CCSCC2)CCO1
282123443	ZINC000335856479	high	3.01	-9.37	0	273.402	0.418	0	4	2	CN(C)C[C@@H]1CN(C(=O)N2CCSCC2)CCO1
342081392	ZINC000625320605	ref	3.99	-41.6	1	253.346	1.266	1	4	6	C[C@@H]([NH2+]CCOC1CCOCC1)c1cnn(C)c1
365620335	ZINC000641589142	ref	0.57	-11.17	0	298.136	1.361	2	3	1	O=C(c1cc(O)cc(Br)c1)N1C[C@H]2C[C@@]2(O)C1
342081393	ZINC000625320605	high	2.77	-8.81	0	253.346	1.266	1	5	6	C[C@@H](NCCOC1CCOCC1)c1cnn(C)c1
365620341	ZINC000641589142	high	1.32	-49.29	-1	298.136	1.361	1	3	1	O=C(c1cc([O-])cc(Br)c1)N1C[C@H]2C[C@@]2(O)C1
365620346	ZINC000641589061	ref	2.16	-11.78	0	265.334	1.321	2	4	2	CSc1ccc(O)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365620352	ZINC000641589061	high	3.12	-56.76	-1	265.334	1.321	1	4	2	CSc1ccc([O-])c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
342081394	ZINC000625321497	ref	1.97	-11.46	0	286.401	1.31	1	5	5	Cn1nncc1S(=O)(=O)NCC[C@H]1CCCC1(C)C
342081395	ZINC000625320460	ref	2.55	-9.08	0	263.403	1.769	1	3	7	COCCS(=O)(=O)NCC[C@H]1CCCC1(C)C
365620360	ZINC000641588858	ref	4.36	-12.55	0	253.342	1.317	1	3	4	CC[C@H](OC1CCCC1)C(=O)N1C[C@H]2C[C@@]2(O)C1
365620369	ZINC000479693942	ref	3.18	-6.93	0	286.416	1.895	3	3	5	CO[C@H]1C[C@@H](NC(=O)N[C@@H](C(C)C)C(C)(C)O)C1(C)C
365620375	ZINC000641588979	ref	3.69	-12.85	0	281.739	1.484	1	3	3	COc1cccc(CC(=O)N2C[C@H]3C[C@@]3(O)C2)c1Cl
365620383	ZINC000641589207	ref	3.9	-13.15	0	251.713	1.855	1	2	1	Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1Cl
342081396	ZINC000625321972	ref	8.17	-37.95	1	288.395	1.917	1	3	3	C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C2CC2)c1
365638699	ZINC000625087944	ref	9.58	-12.19	0	316.405	2.358	1	5	7	CCO[C@@H](C(=O)N[C@@H](c1nnc2ccccn12)C(C)C)C1CC1
365638705	ZINC000625085263	ref	5.06	-13.26	0	308.451	2.009	0	5	3	C[C@H]1CCCN(C(=O)C2CCN(Cc3cnns3)CC2)C1
282123444	ZINC000182460513	ref	6.22	-40.05	1	306.406	1.073	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)CCO1
342081397	ZINC000625321972	mid	7.34	-38.28	1	288.395	1.917	1	3	3	C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C2CC2)c1
282123447	ZINC000182460513	high	3.77	-8.74	0	306.406	1.073	1	4	5	CN(C)C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)CCO1
343994252	ZINC000625559016	ref	-0.39	-8.99	0	242.3	0.945	1	4	5	C/C=C/CNS(=O)(=O)c1ccc(OC)nc1
365638710	ZINC000625085263	low	7.42	-57.09	1	308.451	2.009	1	4	3	C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cnns3)CC2)C1
365620349	ZINC000274310162	high	2.69	-41.08	-1	291.351	1.496	1	4	4	Cn1cc(C(=O)NCCC2=CCCCCC2)c(=O)[n-]c1=O
365620353	ZINC000637717241	ref	4.19	-13.64	0	287.323	1.1	1	5	4	CN(Cc1ccoc1)C(=O)NC1CN(c2ccncn2)C1
365620363	ZINC000274313757	ref	3.26	-18.93	0	296.396	1.678	2	4	4	CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)Nc2cncnc2)C1
365620371	ZINC000274312396	ref	6.22	-42.87	1	268.357	1.927	1	3	2	Fc1cncc(C[N@@H+]2CCS[C@H]3COCC[C@H]32)c1
365620376	ZINC000274312396	mid	5.99	-46.96	1	268.357	1.927	1	3	2	Fc1cncc(C[N@H+]2CCS[C@H]3COCC[C@H]32)c1
282952345	ZINC000295221878	mid	8.68	-4.51	0	265.759	3.373	0	1	2	FCC1CCN(CC#Cc2cccc(Cl)c2)CC1
432002758	ZINC000103075189	ref	8.94	-14.22	0	305.418	3.276	1	3	9	COC(=O)CCCCNC(=O)C[C@H](c1ccccc1)C(C)C
365620381	ZINC000274312396	mid	4.0	-6.0	0	268.357	1.927	0	4	2	Fc1cncc(CN2CCS[C@H]3COCC[C@H]32)c1
342597398	ZINC000616978177	ref	2.15	-11.83	0	299.396	1.25	1	4	6	CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)NC)nc1
342597399	ZINC000616978177	high	1.36	-45.66	-1	299.396	1.25	0	4	6	CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)nc1
290622903	ZINC000457587420	ref	10.34	-44.34	1	306.494	3.393	1	1	3	C[C@H]1CC[C@@](C)(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)C1(C)C
365620387	ZINC000274313545	ref	3.04	-38.65	1	267.348	1.109	2	3	5	CC[C@@H](O)C[NH+]1CCN(Cc2cncc(F)c2)CC1
365620394	ZINC000274313545	mid	0.67	-4.35	0	267.348	1.109	1	4	5	CC[C@@H](O)CN1CCN(Cc2cncc(F)c2)CC1
365620399	ZINC000274309531	ref	4.68	-6.52	0	262.313	1.064	1	4	1	C[C@H]1CCCN(C(=O)C(=O)Nc2cncnc2)CC1
365620404	ZINC000274313078	ref	3.33	-15.75	0	288.347	1.301	2	3	3	O=C1CC[C@H](C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)N1
365620407	ZINC000274311662	ref	1.58	-8.5	0	296.346	1.139	2	4	3	C[C@H](O)CN1CCN(C(=O)Nc2cccc(F)n2)C[C@@H]1C
365620414	ZINC000274311662	mid	3.97	-44.82	1	296.346	1.139	3	3	3	C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(F)n2)C[C@@H]1C
365620418	ZINC000274311662	mid	3.76	-43.35	1	296.346	1.139	3	3	3	C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(F)n2)C[C@@H]1C
365620423	ZINC000274309046	ref	3.16	-7.81	0	253.277	1.125	0	5	3	COC(=O)[C@]1(F)CCN([C@@H](C)c2cnccn2)C1
259308635	ZINC000306106304	ref	0.49	-14.97	0	243.226	1.238	1	7	2	Cn1cc(-c2nc(-c3ccc(O)cc3)no2)nn1
365620426	ZINC000274309046	low	5.54	-36.6	1	253.277	1.125	1	4	3	COC(=O)[C@]1(F)CC[N@@H+]([C@@H](C)c2cnccn2)C1
365620429	ZINC000274309046	low	5.51	-38.98	1	253.277	1.125	1	4	3	COC(=O)[C@]1(F)CC[N@H+]([C@@H](C)c2cnccn2)C1
349535483	ZINC000621495487	ref	9.87	-39.1	1	292.467	3.073	2	1	5	CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1
342081398	ZINC000625321972	high	5.89	-10.35	0	288.395	1.917	0	4	3	CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnn(C2CC2)c1
342081399	ZINC000625321117	ref	5.49	-41.8	1	277.397	1.863	1	5	6	Cc1cnc([C@@H]([NH2+]CCc2cn(C)nn2)C2CC2)s1
222608979	ZINC000170626170	ref	3.81	-54.96	-1	351.34	1.48	2	7	6	NS(=O)(=O)c1ccc(N[C@H](C(=O)[O-])c2ccccc2)c([N+](=O)[O-])c1
342081400	ZINC000625321117	high	4.27	-11.19	0	277.397	1.863	1	6	6	Cc1cnc([C@@H](NCCc2cn(C)nn2)C2CC2)s1
222608988	ZINC000170624474	ref	8.83	-22.31	0	359.376	3.159	1	3	3	Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)nc1
342081401	ZINC000625321593	ref	8.52	-36.17	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)C1CC1
342081402	ZINC000625321593	mid	8.11	-37.89	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)C1CC1
342081403	ZINC000625321593	high	6.21	-8.22	0	280.412	1.887	0	3	5	CCO[C@H](C(=O)N1CCC[C@H]1[C@H]1CCCN1C)C1CC1
342081404	ZINC000625320425	ref	7.41	-46.57	1	299.378	1.428	1	4	2	C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc2ccnn12
342081405	ZINC000625320425	mid	7.55	-40.89	1	299.378	1.428	1	4	2	C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc2ccnn12
342081406	ZINC000625320425	high	5.16	-10.05	0	299.378	1.428	0	5	2	CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1ccnc2ccnn12
342081407	ZINC000625322105	ref	7.44	-42.06	1	268.401	1.814	2	2	7	C=CC[NH+]1CCC(NC(=O)[C@H](OCC)C(C)C)CC1
342081408	ZINC000625322105	high	5.13	-8.51	0	268.401	1.814	1	3	7	C=CCN1CCC(NC(=O)[C@H](OCC)C(C)C)CC1
342081409	ZINC000625320683	ref	4.38	-45.6	1	252.362	1.233	2	3	5	C[C@H]([NH2+]CC(=O)NCC(C)(C)C)c1cnn(C)c1
342081410	ZINC000625320683	mid	3.16	-11.83	0	252.362	1.233	2	4	5	C[C@H](NCC(=O)NCC(C)(C)C)c1cnn(C)c1
342081411	ZINC000625320638	ref	1.99	-39.87	1	270.398	1.768	3	4	6	Cc1csc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)n1
342081412	ZINC000625320638	mid	0.81	-5.72	0	270.398	1.768	3	5	6	Cc1csc([C@H](C)NC[C@H](O)CC2(O)CCC2)n1
342081413	ZINC000625322191	ref	4.66	-40.7	1	277.397	1.792	1	5	5	Cc1csc(C2([NH2+]CCc3cn(C)nn3)CCC2)n1
342081414	ZINC000625322191	high	3.49	-10.95	0	277.397	1.792	1	6	5	Cc1csc(C2(NCCc3cn(C)nn3)CCC2)n1
342081415	ZINC000625321784	ref	4.29	-33.64	1	257.374	1.729	1	3	7	CC[C@H]([NH2+]CCOC1CCOCC1)[C@H]1CCCO1
342081416	ZINC000625321225	ref	3.61	-40.77	1	270.417	1.679	3	2	6	CC(C)(C)CNC(=O)C[NH2+][C@H](CO)C1CCCCC1
214188939	ZINC000278493065	ref	9.85	-19.38	0	312.377	2.331	0	6	3	Cc1nc2c(cnn2C(C)C)cc1C(=O)N(C)c1nccn1C
214188944	ZINC000278491980	ref	9.64	-48.81	1	316.424	3.269	1	3	5	CC[C@@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc(F)c1
214188949	ZINC000278493282	ref	8.63	-103.23	2	304.478	3.005	3	1	7	CC(C)[NH+]1CCC(O)(C[NH2+]CC[C@@H](C)c2ccccc2)CC1
214188952	ZINC000278493535	ref	3.66	-8.63	0	319.38	2.535	1	5	5	C[C@@H](O)[C@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
214188955	ZINC000278493535	mid	5.57	-40.37	1	319.38	2.535	2	4	5	C[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1
214188958	ZINC000278493535	mid	5.39	-36.93	1	319.38	2.535	2	4	5	C[C@@H](O)[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1
214188962	ZINC000278492051	ref	9.7	-11.6	0	304.35	2.724	1	5	5	CCOC[C@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1
136229397	ZINC000293352441	mid	6.38	-35.73	1	210.321	1.245	2	1	5	CC#CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)CC
342081417	ZINC000625321225	high	2.27	-9.1	0	270.417	1.679	3	3	6	CC(C)(C)CNC(=O)CN[C@H](CO)C1CCCCC1
214188966	ZINC000278492017	ref	5.42	-14.02	0	319.401	2.399	1	4	5	C[C@@H]1COCC[C@H]1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
342081418	ZINC000625321835	ref	1.13	-36.48	1	257.374	1.2	3	3	7	CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)[C@@H]1CCCO1
342081419	ZINC000625321834	ref	2.45	-36.36	1	257.374	1.2	3	3	7	CC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)[C@@H]1CCCO1
214188968	ZINC000278492976	ref	4.46	-11.04	0	312.373	2.464	3	3	3	CC1(NC(=O)C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CCCC1
342081420	ZINC000625321837	ref	1.1	-35.52	1	257.374	1.2	3	3	7	CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)[C@H]1CCCO1
342081421	ZINC000625321726	ref	5.69	-41.38	1	282.775	1.454	2	3	4	C=CC[NH+]1CCC(NC(=O)c2nn(C)cc2Cl)CC1
214188971	ZINC000278491977	ref	9.79	-47.66	1	316.424	3.269	1	3	5	CC[C@@H]([NH2+][C@H]1CCCN(c2ccnn2C)C1)c1cccc(F)c1
342081422	ZINC000625321726	high	3.31	-10.14	0	282.775	1.454	1	4	4	C=CCN1CCC(NC(=O)c2nn(C)cc2Cl)CC1
214188975	ZINC000278492612	ref	4.83	-21.56	0	317.389	1.529	2	4	8	CC(C)Cn1ccc2c(C(=O)NCCOCC(N)=O)cccc21
342081423	ZINC000625320965	ref	1.28	-44.07	1	251.33	1.39	1	4	5	COc1cncc(C[NH2+][C@@H](C)[C@H]2CCCOC2)n1
342081424	ZINC000625320965	high	0.2	-6.5	0	251.33	1.39	1	5	5	COc1cncc(CN[C@@H](C)[C@H]2CCCOC2)n1
342081425	ZINC000625321509	ref	3.12	-49.37	1	290.367	1.046	3	5	6	C[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1nnc2ccccn12
295666469	ZINC000126002639	ref	5.6	-8.1	0	343.537	2.27	1	4	5	CS[C@H]1CCCCN(C(=O)NC[C@H](C(C)C)N2CCOCC2)C1
342597400	ZINC000590789040	ref	7.53	-44.29	1	276.38	1.922	1	2	4	COc1ccc2c(c1)CCC[N@@H+](CCC(=O)N(C)C)C2
342597401	ZINC000590789040	mid	7.53	-44.27	1	276.38	1.922	1	2	4	COc1ccc2c(c1)CCC[N@H+](CCC(=O)N(C)C)C2
342597402	ZINC000616977788	ref	7.48	-26.22	0	290.367	1.533	0	5	4	CC[C@H](C)N(CC)C(=O)c1cn(C)c2c(cnn2C)c1=O
210256479	ZINC000272862935	ref	2.59	-17.74	0	300.38	1.303	1	5	6	C=CCS(=O)(=O)CCNC(=O)c1cc(C(C)(C)C)on1
282123439	ZINC000360648332	ref	7.23	-17.9	0	332.791	1.92	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)cc3c1OCC3)CC2
282123442	ZINC000171470696	ref	5.1	-17.25	0	344.177	2.172	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)c(Cl)nc1Cl)CC2
365620361	ZINC000354673363	ref	7.21	-35.14	1	295.427	1.235	2	2	7	CCN(CCC1CC1)C(=O)C(=O)NCC1([NH+](C)C)CCC1
342597403	ZINC000616978141	ref	4.07	-12.73	0	292.343	1.278	0	7	6	CC[C@@H](C)N(CC)C(=O)c1cn(Cc2noc(C)n2)nn1
282123446	ZINC000339717802	ref	5.76	-18.27	0	323.356	1.173	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(=O)c3ccccc3[nH]1)CC2
282123451	ZINC000339717802	high	5.41	-46.48	-1	323.356	1.173	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(=O)c3ccccc3[n-]1)CC2
342597404	ZINC000616978628	ref	3.46	-21.78	0	289.339	1.089	1	5	5	CC[C@H](C)N(CC)C(=O)c1ccnc2c(C(N)=O)cnn12
342597405	ZINC000616977702	ref	6.15	-15.12	0	253.346	1.755	0	4	6	CC[C@@H](C)N(CC)C(=O)[C@H](OC)c1cnn(C)c1
342597406	ZINC000590791171	ref	2.28	-8.34	0	261.329	1.703	0	6	4	CCc1noc(CN2CCC[C@@H]2c2cnn(C)c2)n1
365620365	ZINC000354673363	high	5.69	-4.29	0	295.427	1.235	1	3	7	CCN(CCC1CC1)C(=O)C(=O)NCC1(N(C)C)CCC1
282123453	ZINC000119957937	ref	5.43	-21.56	0	323.36	0.912	1	7	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-n3cccn3)ccn1)CC2
365620372	ZINC000354674367	ref	6.11	-45.43	1	297.443	1.673	2	2	10	CCCCN(CCCC)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
342597407	ZINC000590791171	low	4.56	-38.91	1	261.329	1.703	1	5	4	CCc1noc(C[N@@H+]2CCC[C@@H]2c2cnn(C)c2)n1
342597408	ZINC000590791171	low	5.09	-42.24	1	261.329	1.703	1	5	4	CCc1noc(C[N@H+]2CCC[C@@H]2c2cnn(C)c2)n1
398245944	ZINC000650858888	ref	2.85	-12.76	0	285.413	1.715	2	4	6	Cc1nc(C)c(CCNC(=O)N(C)[C@H](C)CCO)s1
342597409	ZINC000616978355	ref	4.26	-10.88	0	263.403	1.703	0	3	6	CC[C@H](C)N(CC)C(=O)[C@H](C)[C@@H](C)S(C)(=O)=O
342597410	ZINC000590790932	ref	4.12	-8.36	0	291.282	1.076	1	4	2	COc1cc(C#N)ccc1NC(=O)C(=O)N1CC[C@H](F)C1
178304912	ZINC000042921850	ref	8.51	-10.27	0	242.257	2.547	0	4	1	Cc1cc2nnc(-c3ccc(F)cc3)n2c(C)n1
178304920	ZINC000002387166	ref	4.93	-16.29	0	228.255	2.231	2	5	1	Cc1cc2ncccc2c2nc(NO)n(C)c12
178304925	ZINC000011737077	ref	9.85	-13.81	0	246.31	2.605	0	4	3	Cc1cc2ncn(CC(=O)OC(C)C)c2cc1C
342597411	ZINC000616977516	ref	6.08	-9.67	0	253.346	1.79	0	4	7	CC[C@@H](C)N(CC)C(=O)c1ccn(CCOC)n1
178304929	ZINC000011737077	low	10.33	-35.99	1	246.31	2.605	0	3	3	Cc1cc2[nH+]cn(CC(=O)OC(C)C)c2cc1C
282123441	ZINC000183843275	ref	4.63	-9.81	0	338.423	3.137	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCOc2c(F)cccc21
178304934	ZINC000000807992	ref	4.66	-21.83	0	238.312	1.655	0	4	2	Cc1cc2ncn(CS(C)(=O)=O)c2cc1C
178304939	ZINC000000807992	low	5.14	-42.64	1	238.312	1.655	0	3	2	Cc1cc2[nH+]cn(CS(C)(=O)=O)c2cc1C
178304941	ZINC000040538454	ref	5.11	-46.67	-1	223.257	1.443	1	5	3	Cc1cc2ncnc(SCC(=O)[O-])c2[nH]1
178304945	ZINC000285320650	ref	9.63	-9.66	0	220.291	3.403	0	2	4	Cc1cc2ncn(CCCCF)c2cc1C
178304951	ZINC000285320650	low	10.11	-34.1	1	220.291	3.403	0	1	4	Cc1cc2[nH+]cn(CCCCF)c2cc1C
398245945	ZINC000649443879	ref	6.32	-6.11	0	242.322	3.508	1	3	2	CC(C)(C)Oc1cccc(-c2ccc(N)cc2)n1
178304955	ZINC000019404589	ref	7.54	-12.7	0	238.294	2.62	1	4	1	Cc1cc2ncn(-c3ccc(N)cn3)c2cc1C
214188946	ZINC000293626437	ref	1.12	-48.45	-1	352.372	0.762	2	7	7	COCc1cc(NC(=O)CSc2n[nH]c(=O)[n-]2)cc(C(=O)OC)c1
178304959	ZINC000010382616	ref	8.12	-45.36	-1	218.256	2.299	0	4	2	Cc1cc2ncn([C@@H](C)C(=O)[O-])c2cc1C
185089624	ZINC000096078059	ref	4.7	-16.38	0	294.38	0.945	1	6	3	O=C(NC1CCC1)[C@@H]1CCC2(CN(c3nncs3)C2)O1
178304963	ZINC000010382616	low	8.59	-32.21	0	218.256	2.299	0	3	2	Cc1cc2[nH+]cn([C@@H](C)C(=O)[O-])c2cc1C
178304966	ZINC000001850165	ref	6.62	-32.51	1	212.256	2.012	1	3	0	Cc1cc2ncccc2c2[nH+]c(N)n(C)c12
214188954	ZINC000293626437	low	2.31	-18.33	0	352.372	0.762	3	7	7	COCc1cc(NC(=O)CSc2n[nH]c(=O)[nH]2)cc(C(=O)OC)c1
214188959	ZINC000293631568	ref	7.04	-23.05	0	360.414	0.563	1	7	8	COC[C@]1(CNC(=O)COCc2nncn2C)OCCc2ccccc21
178304973	ZINC000001850165	mid	6.16	-12.24	0	212.256	2.012	1	4	0	Cc1cc2ncccc2c2nc(N)n(C)c12
342597412	ZINC000616977869	ref	7.81	-17.49	0	250.342	1.804	0	3	5	CC[C@@H](C)N(CC)C(=O)Cn1ccc(C)cc1=O
342597413	ZINC000590811154	ref	3.45	-48.22	1	292.383	1.402	2	3	3	Cc1n[nH]c(=O)c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1C
349535484	ZINC000618814498	ref	4.86	-19.06	0	279.369	1.667	0	6	4	CC(C)c1nc(C(=O)N(C)Cc2cn(C)nn2)cs1
365620364	ZINC000576529348	ref	8.31	-7.27	0	244.363	3.2	1	2	3	c1ccc2c(c1)CC[C@@H](SCc1cc[nH]n1)C2
349535487	ZINC000618816533	ref	5.97	-20.46	0	262.357	1.91	0	4	5	C=CCC1(C(=O)N(C)Cc2cn(C)nn2)CCCC1
342597414	ZINC000590811263	ref	8.64	-44.14	1	287.367	1.332	1	4	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cn3cccnc3n2)C1
342597415	ZINC000590811777	ref	4.71	-50.13	1	268.401	1.792	1	2	3	CC(C)[NH2+][C@H]1CCCN(C(=O)C2(C)CCOCC2)C1
365620370	ZINC000576529680	ref	3.05	-11.17	0	217.334	0.97	1	3	5	CN1CCC[C@H](CSCCCO)C1=O
365620373	ZINC000576532631	ref	3.77	-5.89	0	238.331	1.947	1	3	6	COc1ccc(C[N@H+](C)CC(C)(C)OC)nc1
349535489	ZINC000618814595	ref	7.32	-10.68	0	284.363	1.579	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCc2ccccc2C1
365620378	ZINC000576532631	mid	5.6	-34.48	1	238.331	1.947	1	3	6	COc1ccc(C[N@@H+](C)CC(C)(C)OC)nc1
185089625	ZINC000096075925	ref	7.49	-40.39	1	264.394	1.987	1	2	3	CC[N@@H+]1CC[C@@]12CCN(C(=O)Cc1cccs1)C2
185089626	ZINC000096075925	mid	7.51	-41.8	1	264.394	1.987	1	2	3	CC[N@H+]1CC[C@@]12CCN(C(=O)Cc1cccs1)C2
185089627	ZINC000096075925	high	4.38	-9.0	0	264.394	1.987	0	3	3	CCN1CC[C@@]12CCN(C(=O)Cc1cccs1)C2
342597416	ZINC000590811014	ref	5.39	-40.05	1	256.39	1.792	1	2	7	COCCCCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
365620382	ZINC000576532631	high	3.77	-5.89	0	238.331	1.947	0	4	6	COc1ccc(CN(C)CC(C)(C)OC)nc1
290622905	ZINC000492524424	ref	2.66	-11.87	0	292.379	2.017	2	4	8	CC[C@H](C[C@@H](C)CO)NC(=O)/C=C\c1cncc(OC)c1
185089628	ZINC000096078082	ref	4.48	-9.53	0	250.298	1.544	0	4	1	Cc1noc(C)c1C(=O)N1CC[C@]2(CCOC2)C1
365620388	ZINC000576529377	ref	3.34	-14.04	0	238.287	0.462	1	3	4	C=C(C)C[C@H](C)C(=O)N[C@H]1CC(=O)N(C)C1=O
282123448	ZINC000424370910	ref	7.89	-47.98	-1	273.283	2.717	1	5	7	CCC(CC)(CNc1nccc(C(F)F)n1)C(=O)[O-]
185089629	ZINC000096075926	ref	7.4	-42.3	1	264.394	1.987	1	2	3	CC[N@@H+]1CC[C@]12CCN(C(=O)Cc1cccs1)C2
342597417	ZINC000590811484	ref	4.79	-47.12	1	254.374	1.402	1	2	3	CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCOC2)C1
342597418	ZINC000590810960	ref	6.33	-42.94	1	278.4	1.342	1	3	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)CCc2cnn(C)c2)C1
342597419	ZINC000590811326	ref	4.31	-38.41	1	297.424	1.892	1	4	5	COCc1nc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cs1
214188963	ZINC000053574363	ref	7.57	-13.27	0	325.412	2.186	0	4	4	CC(=O)c1cc(C(=O)N2CCN(Cc3ccccc3)CC2)n(C)c1
178304916	ZINC000237283041	high	5.6	-14.95	0	363.487	1.408	2	7	9	CSCC[C@@H](NC(=O)CNC[C@@H]1CCCO1)c1nnc2ccccn12
214188967	ZINC000053574363	low	9.78	-46.84	1	325.412	2.186	1	3	4	CC(=O)c1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)n(C)c1
214188969	ZINC000053582728	ref	6.59	-12.15	0	327.388	2.344	1	7	6	COc1ccc(OC)c(CCNc2nc(C)nc3c2cnn3C)c1
282123449	ZINC000376738523	ref	7.95	-53.11	1	331.338	2.43	1	2	3	CN(CC(F)(F)F)C(=O)N1C[C@@H](C[NH+](C)C)Oc2ccccc21
214188970	ZINC000053571009	ref	1.04	-12.98	0	342.364	1.625	2	4	5	Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCSC(F)(F)F
178304922	ZINC000237277858	ref	6.62	-44.88	1	350.426	1.948	1	5	4	C[NH2+]C[C@H]1CCCN1C(=O)c1nnn(-c2ccc3ncccc3c2)c1C
214188973	ZINC000053572211	ref	4.33	-10.28	0	342.786	3.938	1	6	6	COc1ccc(Oc2ccc(CNc3cncc(Cl)n3)cn2)cc1
214188977	ZINC000053569724	ref	8.46	-46.03	1	348.491	2.131	1	4	3	Cc1cc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nn1C(C)(C)C
178304927	ZINC000237266494	ref	4.72	-51.67	1	354.472	1.968	2	4	6	COC(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1C
178304931	ZINC000237267731	ref	5.38	-48.33	1	359.47	1.806	1	3	3	COc1cc(C(=O)N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)ccc1C
178304937	ZINC000237270028	ref	8.14	-63.62	-1	363.389	1.677	2	4	8	CC(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)N(C)CCCC(=O)[O-]
178304942	ZINC000237283476	ref	8.06	-49.73	1	365.528	1.735	2	6	7	CSCC[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1nnc2ccccn12
178304946	ZINC000237283476	high	7.01	-14.14	0	365.528	1.735	2	7	7	CSCC[C@@H](NC(=O)C[C@H]1CSCCN1)c1nnc2ccccn12
342081426	ZINC000625321509	mid	1.9	-17.66	0	290.367	1.046	3	6	6	C[C@@H](NC[C@@H](O)CC1(O)CCC1)c1nnc2ccccn12
214188982	ZINC000053569724	mid	6.36	-10.93	0	348.491	2.131	0	5	3	Cc1cc(C(=O)N2CCC(CN3CCOCC3)CC2)nn1C(C)(C)C
214188985	ZINC000053573893	ref	5.34	-25.65	0	334.376	1.767	2	5	5	CNC(=O)c1ccc(N[C@@H](C)C(=O)N2CCCCC2)c([N+](=O)[O-])c1
365620368	ZINC000623044901	ref	4.02	-8.43	0	317.424	1.952	1	3	5	C[C@H](C(=O)N[C@@H](C(F)F)C1CCCCC1)N1CCN(C)CC1
342081427	ZINC000625321836	ref	2.35	-35.66	1	257.374	1.2	3	3	7	CC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)[C@H]1CCCO1
214188964	ZINC000293629007	ref	0.02	-14.74	0	368.821	0.654	4	4	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(Cl)c(C(N)=O)c1)C(C)C
290622906	ZINC000492524928	ref	6.95	-10.99	0	294.358	2.281	0	4	2	Cc1ccc(/C=C/C(=O)N2CCN(C)c3ncccc32)nc1
214188972	ZINC000293619676	ref	7.76	-28.26	0	363.805	0.547	1	6	5	Cn1cnn(CCC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)c1=O
342597420	ZINC000590810386	ref	5.64	-40.77	1	254.374	1.544	1	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CCCO2)C1
365620377	ZINC000623044901	mid	6.35	-38.84	1	317.424	1.952	2	2	5	C[C@H](C(=O)N[C@@H](C(F)F)C1CCCCC1)N1CC[NH+](C)CC1
342597421	ZINC000590811881	ref	5.26	-41.3	1	298.427	1.561	1	3	7	CC(C)[NH2+][C@H]1CCCN(C(=O)CCOC[C@@H]2CCCO2)C1
342597422	ZINC000590811894	ref	5.9	-43.12	1	278.4	1.814	1	3	4	CCn1nc(C)cc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
214188978	ZINC000293619491	ref	4.03	-22.38	0	350.448	0.808	0	7	4	Cc1c(S(=O)(=O)N(C)[C@H]2CCCN(c3cccnn3)C2)cnn1C
342597423	ZINC000590810775	ref	4.47	-43.18	1	250.346	1.023	1	3	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccnn2C)C1
342597424	ZINC000590811122	ref	6.47	-42.3	1	254.374	1.568	1	2	7	C=CCCOCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
185089630	ZINC000096075926	mid	7.47	-41.0	1	264.394	1.987	1	2	3	CC[N@H+]1CC[C@]12CCN(C(=O)Cc1cccs1)C2
342597425	ZINC000590811331	ref	4.31	-39.16	1	297.424	1.892	1	4	5	COCc1nc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cs1
342597426	ZINC000590811866	ref	5.24	-41.08	1	298.427	1.561	1	3	7	CC(C)[NH2+][C@@H]1CCCN(C(=O)CCOC[C@@H]2CCCO2)C1
214188981	ZINC000293633303	ref	4.35	-13.2	0	359.434	0.894	2	7	6	Cn1ncc(CCCNC(=O)C(=O)Nc2cc(C3CCCC3)nn2C)n1
214188987	ZINC000293620418	ref	3.71	-12.44	0	353.806	0.438	1	4	3	COc1cc2c(cc1Cl)CN(C(=O)C(=O)NCC(=O)N(C)C)CC2
342597427	ZINC000590810900	ref	6.58	-48.13	1	290.411	1.75	1	3	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1
214188992	ZINC000293634900	ref	4.44	-11.72	0	356.4	0.75	0	7	4	COC(=O)c1cc(S(=O)(=O)N2CCC[C@@H](C(=O)OC)C2)cnc1C
342597428	ZINC000590811339	ref	5.68	-47.78	1	287.367	1.332	1	4	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cnn3cccnc23)C1
222608980	ZINC000291775978	ref	2.19	-11.61	0	314.385	2.641	3	4	5	CCc1cc(C(=O)NCc2ccc([C@H](C)O)c(C)n2)ccc1O
342597429	ZINC000590810569	ref	5.26	-42.54	1	297.443	1.528	2	2	7	CC(C)CCC(=O)NCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
214190479	ZINC000278494958	ref	7.47	-51.44	1	317.404	3.479	2	2	8	COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)cc1
282123450	ZINC000370710383	ref	2.86	-9.12	0	312.454	2.434	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCC12CCOCC2
349535485	ZINC000621495487	mid	9.84	-36.52	1	292.467	3.073	2	1	5	CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)C1
365620379	ZINC000354674614	ref	5.29	-4.6	0	284.4	1.707	1	3	6	CCCCCN(C(=O)C(=O)N[C@H]1CCO[C@@H]1C)C(C)C
365620385	ZINC000367178537	ref	1.57	-7.38	0	269.37	1.597	1	6	4	CO[C@H](C)c1nsc(N2CC[C@@](O)(C3CC3)C2)n1
214188965	ZINC000337628191	ref	-0.37	-16.59	0	277.324	0.786	3	4	5	CC(=O)Nc1ccc(O)c(C(=O)NCCN2CCC2)c1
349535486	ZINC000621495510	ref	5.49	-11.08	0	293.317	3.012	3	1	5	O=C(NCC[C@H]1CC1(F)F)NCc1cccc2cc[nH]c12
349535488	ZINC000621496402	ref	9.08	-11.37	0	275.392	3.207	1	2	5	Cc1ccccc1COCC(=O)N[C@H]1CCC[C@H](C)C1
365620389	ZINC000354675550	ref	4.6	-4.5	0	282.384	1.461	1	3	2	CC[C@@H]1CCCCCN1C(=O)C(=O)N[C@H]1CCO[C@H]1C
214188974	ZINC000337628191	mid	2.83	-52.29	1	277.324	0.786	4	3	5	CC(=O)Nc1ccc(O)c(C(=O)NCC[NH+]2CCC2)c1
365620395	ZINC000354675308	ref	6.41	-15.57	0	285.351	1.42	1	5	4	CCc1ccc(C(=O)NCc2nnc3n2CCC3)c(C)n1
185089631	ZINC000096075926	high	4.4	-10.14	0	264.394	1.987	0	3	3	CCN1CC[C@]12CCN(C(=O)Cc1cccs1)C2
365620403	ZINC000354673501	ref	4.9	-23.34	0	281.352	1.866	1	2	4	O=C(C/C=C/c1ccc(F)cc1)N[C@@H]1CC[S@@](=O)C1
365620409	ZINC000354673151	ref	1.25	-10.7	0	294.351	1.89	3	4	6	CC[C@@H](C)[C@H](NC(C)=O)C(=O)Nc1cc(O)cc(OC)c1
342081428	ZINC000625321595	ref	8.38	-36.74	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)C1CC1
201705203	ZINC000006902230	ref	12.54	-14.55	0	346.386	4.746	1	3	5	Cc1c(C(=O)Nc2ccccc2Cc2ccccc2)cccc1[N+](=O)[O-]
342081429	ZINC000625321595	mid	9.06	-36.56	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)C1CC1
365620415	ZINC000354674617	ref	5.7	-4.74	0	284.4	1.707	1	3	6	CCCCCN(C(=O)C(=O)N[C@H]1CCO[C@H]1C)C(C)C
365620421	ZINC000354674998	ref	5.34	-10.61	0	280.299	1.597	1	4	4	COC(=O)[C@@H]1CC[C@H]1C(=O)N[C@@H](C)c1cncc(F)c1
259308638	ZINC000306106304	high	1.26	-52.35	-1	243.226	1.238	0	7	2	Cn1cc(-c2nc(-c3ccc([O-])cc3)no2)nn1
342081430	ZINC000625321595	high	5.92	-12.01	0	280.412	1.887	0	3	5	CCO[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCCN1C)C1CC1
342081431	ZINC000625322112	ref	2.93	-9.9	0	261.329	1.921	1	6	5	C[C@@H](NCc1noc(C2CCC2)n1)c1cnn(C)c1
342081432	ZINC000625320637	ref	0.71	-39.83	1	270.398	1.768	3	4	6	Cc1csc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)n1
222608983	ZINC000291775978	high	2.87	-45.77	-1	314.385	2.641	2	4	5	CCc1cc(C(=O)NCc2ccc([C@H](C)O)c(C)n2)ccc1[O-]
342081433	ZINC000625320637	mid	-0.54	-6.34	0	270.398	1.768	3	5	6	Cc1csc([C@H](C)NC[C@@H](O)CC2(O)CCC2)n1
365620386	ZINC000623042573	ref	5.13	-17.44	0	321.402	1.079	1	4	4	CC1(C)NC(=O)N(CC(=O)N2CC(Cc3ccsc3)C2)C1=O
282123452	ZINC000376738523	high	5.46	-13.74	0	331.338	2.43	0	3	3	CN(C)C[C@@H]1CN(C(=O)N(C)CC(F)(F)F)c2ccccc2O1
282123454	ZINC000365607498	ref	3.36	-40.89	1	326.441	-0.177	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC2)CCO1
343994253	ZINC000599272418	mid	2.06	-10.54	0	296.411	1.557	1	5	4	C[C@@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
365620393	ZINC000623043497	ref	2.91	-8.47	0	322.405	1.453	1	5	5	COc1nc(C)cc(C)c1CN(C)C(=O)[C@H](O)C1CCOCC1
365620400	ZINC000623044402	ref	3.55	-14.5	0	309.362	1.827	2	5	9	COc1cc(CCCNC(=O)CCC(C)=O)cc(OC)c1O
365620405	ZINC000623043221	ref	3.6	-9.56	0	307.394	1.582	1	4	7	CCNC(=O)CCC(=O)N(C)Cc1c(C)cc(C)nc1OC
214188976	ZINC000337628191	high	0.64	-63.06	-1	277.324	0.786	2	4	5	CC(=O)Nc1ccc([O-])c(C(=O)NCCN2CCC2)c1
214188979	ZINC000337629922	ref	7.68	-12.31	0	282.384	2.161	1	3	5	CCOC(=O)CC1CCN(C(=O)NCC2CCC2)CC1
365620412	ZINC000623044944	ref	6.61	-36.55	1	317.424	1.954	2	2	6	CC[NH+]1CCN(CC(=O)N[C@H](C(F)F)C2CCCCC2)CC1
365620417	ZINC000623044944	mid	3.92	-8.21	0	317.424	1.954	1	3	6	CCN1CCN(CC(=O)N[C@H](C(F)F)C2CCCCC2)CC1
365620425	ZINC000623043174	ref	5.0	-11.21	0	319.405	1.676	0	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)C[C@H]1CCC(=O)N1C
214188983	ZINC000337632201	ref	1.99	-9.1	0	271.267	2.318	2	3	4	COc1ccc(NC(=O)NC2(C(F)F)CC2)c(C)n1
342081434	ZINC000625320966	ref	1.39	-43.73	1	251.33	1.39	1	4	5	COc1cncc(C[NH2+][C@@H](C)[C@@H]2CCCOC2)n1
136229398	ZINC000293352441	mid	6.38	-35.01	1	210.321	1.245	2	1	5	CC#CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)CC
342081435	ZINC000625320966	high	0.38	-6.12	0	251.33	1.39	1	5	5	COc1cncc(CN[C@@H](C)[C@@H]2CCCOC2)n1
342081436	ZINC000625321496	ref	1.97	-11.38	0	286.401	1.31	1	5	5	Cn1nncc1S(=O)(=O)NCC[C@@H]1CCCC1(C)C
342081437	ZINC000625321541	ref	3.2	-38.81	1	253.342	1.905	3	3	6	Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)o1
342081438	ZINC000625321541	high	2.0	-6.44	0	253.342	1.905	3	4	6	Cc1ccc([C@H](C)NC[C@H](O)CC2(O)CCC2)o1
342088449	ZINC000121525748	ref	5.28	-6.3	0	261.325	1.472	1	4	3	Cc1cc(C(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ncn1
365620392	ZINC000576529659	ref	4.13	-47.82	1	225.336	1.036	2	1	1	C[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C[C@@H]1C
365620397	ZINC000576529279	ref	4.91	-8.85	0	232.287	2.141	0	5	4	Cc1ncc(COc2cnn(C(C)C)c2)cn1
214188980	ZINC000278492817	ref	7.7	-15.77	0	304.365	2.784	0	3	5	CC#CCCCC(=O)N1CCC(Oc2ncccc2F)CC1
365620401	ZINC000343676595	ref	3.79	-34.02	1	239.363	3.061	1	3	7	CCc1nnc([C@H](C)[N@@H+](CC)C[C@H](C)CC)o1
342081439	ZINC000625321327	ref	6.6	-41.28	1	285.351	1.109	2	4	4	C=CC[NH+]1CCC(NC(=O)c2ccnc3ccnn23)CC1
365620410	ZINC000343676595	mid	3.81	-33.99	1	239.363	3.061	1	3	7	CCc1nnc([C@H](C)[N@H+](CC)C[C@H](C)CC)o1
365620411	ZINC000343676595	mid	2.24	-6.52	0	239.363	3.061	0	4	7	CCc1nnc([C@H](C)N(CC)C[C@H](C)CC)o1
197595552	ZINC000290103306	ref	2.09	-14.66	0	267.314	0.905	1	7	5	Cc1cc(NC(=O)CN(C)Cc2cnns2)no1
214188988	ZINC000278492055	ref	6.47	-12.31	0	303.337	2.166	1	4	3	C[C@H]1COCC[C@H]1NC(=O)c1ccn(-c2ccccc2F)n1
214188991	ZINC000278492897	ref	3.7	-16.17	0	303.286	1.525	1	6	9	COC[C@H](C)OC[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1
290622907	ZINC000492525840	ref	6.06	-8.57	0	274.364	2.431	0	3	3	CC[C@]1(C)COCCN1C(=O)/C=C/c1cnccc1C
342081440	ZINC000625321327	high	4.22	-8.81	0	285.351	1.109	1	5	4	C=CCN1CCC(NC(=O)c2ccnc3ccnn23)CC1
342081441	ZINC000625321705	ref	0.96	-6.62	0	270.398	1.768	3	5	6	Cc1nc([C@H](C)NC[C@H](O)CC2(O)CCC2)cs1
342081442	ZINC000625321705	mid	2.14	-35.87	1	270.398	1.768	3	4	6	Cc1nc([C@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)cs1
342081443	ZINC000625320768	ref	6.87	-41.35	1	272.352	1.641	1	4	3	C[C@@H]1COc2ccccc2C[N@@H+]1CCc1cn(C)nn1
342081444	ZINC000625320768	mid	6.93	-40.24	1	272.352	1.641	1	4	3	C[C@@H]1COc2ccccc2C[N@H+]1CCc1cn(C)nn1
342081445	ZINC000625320768	high	4.93	-11.88	0	272.352	1.641	0	5	3	C[C@@H]1COc2ccccc2CN1CCc1cn(C)nn1
342081446	ZINC000625321543	ref	3.19	-39.02	1	253.342	1.905	3	3	6	Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)o1
342081447	ZINC000625321543	high	2.0	-6.79	0	253.342	1.905	3	4	6	Cc1ccc([C@@H](C)NC[C@H](O)CC2(O)CCC2)o1
342081448	ZINC000625320912	ref	0.52	-42.82	1	292.383	1.399	2	4	7	COc1cncc(C[NH2+][C@H](CC(N)=O)C2CCCCC2)n1
342081449	ZINC000625320912	high	0.08	-10.65	0	292.383	1.399	2	5	7	COc1cncc(CN[C@H](CC(N)=O)C2CCCCC2)n1
342081450	ZINC000625321167	ref	0.99	-35.32	1	270.398	1.85	3	4	7	CC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1nccs1
342081451	ZINC000625321167	mid	-0.57	-6.85	0	270.398	1.85	3	5	7	CC[C@H](NC[C@@H](O)CC1(O)CCC1)c1nccs1
282123455	ZINC000301468972	ref	2.55	-15.42	0	277.415	1.862	1	6	6	CCC(CC)(CNc1nnc(C)s1)S(C)(=O)=O
365620402	ZINC000121829229	ref	8.75	-14.35	0	278.4	2.412	1	3	7	CCC[C@@H]1C[C@@H]1NC(=O)N(C)CCCn1ccnc1C
365620406	ZINC000121829229	mid	9.23	-34.89	1	278.4	2.412	1	2	7	CCC[C@@H]1C[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1C
185089635	ZINC000096077109	ref	3.57	-34.21	1	288.395	0.786	2	3	2	Cc1cccc(C[NH+]2CCC3(CC2)C(=O)NCCN3C)n1
365620413	ZINC000121831057	ref	6.3	-15.66	0	297.443	2.37	2	2	6	CC[C@@H]1CCCN(C(=O)NCCCNC(=O)C(C)C)CC1
365620422	ZINC000121827256	ref	7.19	-9.58	0	263.385	2.462	1	3	6	C[C@@H]1CC[C@H](CC(=O)NC[C@@H](C)Cn2cccn2)C1
365620428	ZINC000121829677	ref	11.48	-14.37	0	271.349	2.256	0	6	5	c1ccc(-n2cnnc2SCCn2ccnc2)cc1
365620435	ZINC000121829677	low	11.99	-38.44	1	271.349	2.256	0	5	5	c1ccc(-n2cnnc2SCCn2cc[nH+]c2)cc1
343994254	ZINC000139371464	ref	2.82	-10.4	0	188.23	1.586	2	1	3	NC(=O)CCc1ccc2[nH]ccc2c1
365620442	ZINC000121825203	ref	6.39	-9.72	0	278.4	2.449	1	3	2	Cc1c(CNC(=O)N2C[C@@H](C)CCC[C@@H]2C)cnn1C
346818879	ZINC000067768552	ref	7.81	-11.31	0	290.388	2.743	0	4	6	CCc1nc(CN(C)C(=O)COc2ccccc2)cs1
290622908	ZINC000006853291	ref	2.33	-7.69	0	264.325	1.754	2	3	0	C[C@H]1CC[C@@H]2[C@@H](C1)c1c([nH]c(=O)[nH]c1=O)OC2(C)C
365620450	ZINC000121822932	ref	5.13	-12.57	0	290.407	2.37	2	2	8	CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(N)=O)cc1
282123458	ZINC000418404032	ref	1.33	-56.79	1	285.432	1.602	4	2	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]
342081452	ZINC000625321974	ref	7.65	-37.98	1	288.395	1.917	1	3	3	C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnn(C2CC2)c1
342081453	ZINC000625321974	mid	7.15	-39.35	1	288.395	1.917	1	3	3	C[N@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnn(C2CC2)c1
342081454	ZINC000625321974	high	6.84	-9.84	0	288.395	1.917	0	4	3	CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnn(C2CC2)c1
282123462	ZINC000516582854	ref	-0.33	-13.43	0	270.373	0.327	1	4	4	CCC(CC)(CO)C(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1
185089636	ZINC000096077109	mid	0.71	-8.38	0	288.395	0.786	1	4	2	Cc1cccc(CN2CCC3(CC2)C(=O)NCCN3C)n1
342081455	ZINC000625320606	ref	3.98	-41.82	1	253.346	1.266	1	4	6	C[C@H]([NH2+]CCOC1CCOCC1)c1cnn(C)c1
282123467	ZINC000516582854	low	1.67	-48.26	1	270.373	0.327	2	3	4	CCC(CC)(CO)C(=O)N1C[C@@H]2OCC[N@H+](C)[C@@H]2C1
343994258	ZINC000139347305	ref	2.95	-52.19	-1	170.233	1.717	0	2	2	Cc1cccc(C[S@@](=O)[O-])c1
365620456	ZINC000121830396	ref	6.77	-48.08	1	299.212	2.407	2	1	6	CC(=O)NCCC[N@@H+](C)Cc1cccc(Br)c1
342081456	ZINC000625320606	high	2.71	-7.99	0	253.346	1.266	1	5	6	C[C@H](NCCOC1CCOCC1)c1cnn(C)c1
342081457	ZINC000625321908	ref	3.39	-48.04	1	290.354	1.682	2	2	6	NC(=O)C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCOCC1
342081458	ZINC000625321944	ref	0.95	-12.56	0	254.334	1.191	2	5	5	Cc1noc([C@@H](C)NCC(=O)NCC(C)(C)C)n1
342081459	ZINC000625321944	low	2.11	-48.93	1	254.334	1.191	2	4	5	Cc1noc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)C)n1
185386273	ZINC000096749117	ref	3.38	-17.91	0	316.26	3.143	1	5	2	O=C(Nc1ccc2c(c1)OCO2)c1scnc1C(F)(F)F
342081460	ZINC000625320902	ref	5.01	-14.61	0	292.335	1.428	1	4	7	C[C@@H](CC(=O)NCCCN1C(=O)CCC1=O)c1ccco1
342081461	ZINC000625320961	ref	0.42	-8.9	0	277.324	1.864	1	6	7	COC[C@H](NCc1cncc(OC)n1)c1ccc(C)o1
342081462	ZINC000625320961	low	1.73	-42.83	1	277.324	1.864	1	5	7	COC[C@H]([NH2+]Cc1cncc(OC)n1)c1ccc(C)o1
342081463	ZINC000625321165	ref	2.26	-35.35	1	270.398	1.85	3	4	7	CC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1nccs1
365620416	ZINC000576531342	ref	3.72	-36.32	1	240.347	0.7	2	2	4	CC1C[NH+]([C@H](C)C(=O)N2CCC[C@H]2CCO)C1
342081464	ZINC000625321165	mid	0.79	-6.4	0	270.398	1.85	3	5	7	CC[C@H](NC[C@H](O)CC1(O)CCC1)c1nccs1
342081465	ZINC000625320428	ref	7.89	-47.0	1	299.378	1.428	1	4	2	C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc2ccnn12
342081466	ZINC000625320428	mid	7.1	-45.79	1	299.378	1.428	1	4	2	C[N@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc2ccnn12
342081467	ZINC000625320428	high	6.25	-9.91	0	299.378	1.428	0	5	2	CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccnc2ccnn12
222609006	ZINC000222548423	ref	5.89	-19.71	0	381.476	2.566	2	4	7	O=C(CCCN1CCCC1=O)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1
342081468	ZINC000625322065	ref	1.75	-11.57	0	294.395	1.48	3	4	7	COc1cccc([C@@H](CO)NCC(=O)NCC(C)(C)C)c1
342081469	ZINC000625322065	mid	2.86	-44.36	1	294.395	1.48	3	3	7	COc1cccc([C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C)c1
342081470	ZINC000625320698	ref	5.69	-47.82	1	262.3	1.035	2	2	7	C=CC[NH+]1CCC(NC(=O)COCC(F)F)CC1
342081471	ZINC000625320698	high	3.31	-15.7	0	262.3	1.035	1	3	7	C=CCN1CCC(NC(=O)COCC(F)F)CC1
342081472	ZINC000625321781	ref	4.31	-36.94	1	257.374	1.729	1	3	7	CC[C@H]([NH2+]CCOC1CCOCC1)[C@@H]1CCCO1
342081473	ZINC000625321116	ref	5.45	-40.45	1	277.397	1.863	1	5	6	Cc1cnc([C@H]([NH2+]CCc2cn(C)nn2)C2CC2)s1
342081474	ZINC000625321116	high	4.28	-11.35	0	277.397	1.863	1	6	6	Cc1cnc([C@H](NCCc2cn(C)nn2)C2CC2)s1
282123456	ZINC000185615193	ref	5.17	-11.3	0	326.187	2.033	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)cc(Cl)n1)CC2
342597430	ZINC000590811633	ref	5.78	-44.29	1	286.416	1.417	1	3	8	CCOCCO[C@@H](C)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1
197595563	ZINC000162837503	ref	6.44	-7.73	0	315.354	2.195	0	5	4	C[C@@H](c1ccccc1)N1C(=O)C(=O)N(Cc2nccs2)C1=O
342597431	ZINC000590810393	ref	5.78	-40.95	1	254.374	1.544	1	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1
349535490	ZINC000621495836	ref	7.64	-5.19	0	267.413	3.278	1	2	4	COCC1(C(=O)N[C@@H]2CCC[C@@H](C)C2)CCCCC1
342597432	ZINC000590811387	ref	7.17	-42.31	1	268.401	1.935	1	2	5	CC(C)[NH2+][C@H]1CCCN(C(=O)COC2CCCC2)C1
295666470	ZINC000354036928	ref	5.08	-8.48	0	334.441	1.116	2	4	3	O=C(NC[C@@H]1CCCS1)C(=O)N1CCc2ccccc2[C@H]1CO
342597433	ZINC000590811317	ref	6.7	-42.57	1	254.374	1.402	1	2	6	CC(C)[NH2+][C@H]1CCCN(C(=O)COCC2CC2)C1
295666472	ZINC000372450619	ref	5.96	-7.52	0	284.425	2.237	1	3	2	O=C(NC[C@@H]1CCCS1)N1CCCC12CCOCC2
210256482	ZINC000272862776	ref	3.28	-10.38	0	321.396	1.1	1	4	5	CC1(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)COC1
342597434	ZINC000590811967	ref	6.77	-84.66	2	255.406	1.317	2	1	6	CC[NH+](CC)CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
349535491	ZINC000621495485	ref	9.58	-39.28	1	292.467	3.073	2	1	5	CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1
295666474	ZINC000336977847	ref	1.1	-16.43	0	326.365	1.023	2	4	5	O=C(NC[C@@H]1CCCS1(=O)=O)N[C@@H]1CCC[C@@H]1OC(F)F
365620420	ZINC000576531342	mid	0.51	-8.91	0	240.347	0.7	1	3	4	CC1CN([C@H](C)C(=O)N2CCC[C@H]2CCO)C1
342597435	ZINC000590811967	high	4.72	-39.08	1	255.406	1.317	1	2	6	CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
185089638	ZINC000096075902	ref	8.47	-9.88	0	286.379	1.67	1	4	3	Cc1cnc(N2CC[C@@]3(C[C@@H]3C(=O)NC3CCC3)C2)nc1
349535492	ZINC000621495485	mid	9.56	-36.72	1	292.467	3.073	2	1	5	CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)C1
197595575	ZINC000162841366	ref	2.92	-45.32	1	309.406	1.587	2	4	9	COc1cccc(COC[C@@H](O)C[NH2+][C@@H](C)[C@@H]2CCOC2)c1
192038045	ZINC000418465651	ref	4.63	-52.19	1	247.342	2.01	2	1	4	C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)C2CC2)cc1
342597436	ZINC000616978911	ref	5.09	-10.42	0	261.329	1.624	0	5	4	CC[C@@H](C)N(CC)C(=O)c1cnc2c(c1)nnn2C
342597437	ZINC000590810629	ref	5.31	-44.21	1	272.389	1.029	1	3	8	CCOCCOCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
342597438	ZINC000590811155	ref	3.74	-49.42	1	292.383	1.402	2	3	3	Cc1n[nH]c(=O)c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1C
365620424	ZINC000576530643	ref	3.82	-7.68	0	240.391	2.125	1	2	5	CC1CN([C@@H](C)C(=O)NCC(C)(C)C(C)C)C1
342081475	ZINC000625320536	ref	5.06	-16.01	0	296.411	1.565	1	3	3	COC1CC(C(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)C1
178304956	ZINC000237280498	ref	7.24	-50.63	1	367.247	1.227	1	4	6	C[NH2+]CCN(C)C(=O)CCn1cnc2ccc(Br)cc2c1=O
365620431	ZINC000576530643	mid	6.8	-33.7	1	240.391	2.125	2	1	5	CC1C[NH+]([C@@H](C)C(=O)NCC(C)(C)C(C)C)C1
222609004	ZINC000125797010	ref	4.75	-12.42	0	342.399	1.643	2	5	5	Cn1cc(NC(=O)C(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)cn1
365620437	ZINC000576529791	ref	5.54	-13.67	0	249.339	2.568	1	4	3	CC(=O)Nc1cnn(Cc2cc(C)sc2C)c1
185089639	ZINC000096075214	ref	7.91	-36.09	1	276.384	1.511	1	3	2	CC[N@@H+]1CCCC12CCN(C(=O)c1nccn1C)CC2
365620440	ZINC000576530552	ref	-0.24	-10.64	0	239.275	0.58	3	3	3	Cc1[nH]c(=O)[nH]c1C(=O)NC[C@@]1(C)CCOC1
214188990	ZINC000053569832	ref	6.63	-49.04	1	332.444	2.193	2	3	3	Cc1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c(O)c1C
214188994	ZINC000053569832	mid	4.73	-12.1	0	332.444	2.193	1	4	3	Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)c(O)c1C
214188996	ZINC000053569832	high	5.58	-56.67	-1	332.444	2.193	0	4	3	Cc1ccc(C(=O)N2CCC(CN3CCOCC3)CC2)c([O-])c1C
178304962	ZINC000237266092	ref	5.82	-40.51	1	359.47	1.724	2	3	5	COc1cc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1C
178304965	ZINC000237280940	ref	7.88	-49.31	1	355.413	1.959	1	2	5	CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O
214189001	ZINC000053572196	ref	8.22	-20.52	0	349.387	1.799	1	5	6	Cc1ccc(OCC(=O)N[C@H](C)C(=O)N2CCCCC2)c([N+](=O)[O-])c1
178304969	ZINC000237280940	mid	7.59	-16.12	0	355.413	1.959	1	3	5	CN(C(=O)[C@@H](N)Cc1ccccc1)[C@@H]1CCN(c2ccccc2F)C1=O
342081476	ZINC000625321548	ref	2.54	-18.49	0	284.323	1.379	1	7	5	COc1cncc(CN[C@@H](C)c2nnc3ccccn23)n1
342081477	ZINC000625321548	low	3.7	-52.54	1	284.323	1.379	1	6	5	COc1cncc(C[NH2+][C@@H](C)c2nnc3ccccn23)n1
342081478	ZINC000625321910	ref	2.95	-56.02	1	290.354	1.682	2	2	6	NC(=O)C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C1CCOCC1
342081479	ZINC000625320461	ref	2.55	-9.06	0	263.403	1.769	1	3	7	COCCS(=O)(=O)NCC[C@@H]1CCCC1(C)C
342081480	ZINC000625320421	ref	7.55	-41.01	1	299.378	1.428	1	4	2	C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc2ccnn12
342081481	ZINC000625320421	mid	8.18	-39.95	1	299.378	1.428	1	4	2	C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc2ccnn12
282123457	ZINC000365607498	low	5.54	-84.27	2	326.441	-0.177	3	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC2([NH+]3CCOCC3)CC2)CCO1
185089640	ZINC000096075214	mid	7.92	-36.13	1	276.384	1.511	1	3	2	CC[N@H+]1CCCC12CCN(C(=O)c1nccn1C)CC2
282123459	ZINC000365607498	high	0.83	-10.27	0	326.441	-0.177	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CC2)CCO1
282123461	ZINC000117022243	ref	5.85	-38.51	1	269.389	1.291	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2CCCCC2)CCO1
342597439	ZINC000590811971	ref	6.03	-56.61	1	298.427	1.559	1	3	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)OC[C@@H]2CCCO2)C1
342597440	ZINC000590811776	ref	4.75	-40.83	1	268.401	1.792	1	2	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)C2(C)CCOCC2)C1
342597441	ZINC000590810845	ref	3.51	-49.41	1	289.379	1.388	2	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cccc(C(N)=O)c2)C1
342597442	ZINC000590811104	ref	4.06	-40.84	1	272.389	1.029	1	3	8	COCCOCCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
349535493	ZINC000618815222	ref	6.83	-25.85	0	288.351	1.549	0	5	5	Cc1cccc(O[C@@H](C)C(=O)N(C)Cc2cn(C)nn2)c1
365620427	ZINC000354674976	ref	6.31	-39.19	1	268.401	1.648	2	2	4	CO[C@H]1C[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1(C)C
342597443	ZINC000590811316	ref	6.69	-42.55	1	254.374	1.402	1	2	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)COCC2CC2)C1
365620430	ZINC000354674976	mid	4.16	-9.61	0	268.401	1.648	1	3	4	CO[C@H]1C[C@H](NC(=O)CN2CCC(C)CC2)C1(C)C
365620436	ZINC000354673440	ref	2.18	-12.0	0	286.294	1.68	2	3	9	CC[C@@H](CC(F)(F)F)NC(=O)NCCOCCOC
349535495	ZINC000618814649	ref	6.79	-12.94	0	297.362	1.888	1	4	5	CN(Cc1cn(C)nn1)C(=O)CCc1c[nH]c2ccccc12
349535497	ZINC000618814466	ref	6.56	-24.88	0	274.324	1.161	0	5	5	Cc1ccccc1OCC(=O)N(C)Cc1cn(C)nn1
349535498	ZINC000618815367	ref	5.48	-21.28	0	290.371	1.543	1	5	7	CCCCCc1cc(C(=O)N(C)Cc2cn(C)nn2)[nH]n1
398245946	ZINC000650858931	ref	5.04	-17.0	0	281.4	1.733	2	2	4	CCN1C[C@@H](CNC(=O)N[C@@H]2CC[C@@H](C)CC2)CC1=O
290622910	ZINC000492526071	ref	5.27	-8.95	0	274.364	2.023	1	3	4	Cc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCC[C@H]2O)nc1
290622913	ZINC000492524787	ref	2.45	-11.43	0	284.315	2.125	2	4	5	COc1cncc(/C=C/C(=O)NCc2cccc(O)c2)c1
124847195	ZINC000186619532	ref	6.0	-14.56	0	297.443	2.513	2	2	7	CCC[C@H]1CCCCN1C(=O)NCCCNC(=O)C(C)C
214188993	ZINC000337629862	ref	6.83	-8.85	0	275.348	2.427	1	3	7	CCOc1ccc([C@@H]2C[C@@H]2NC(=O)CCC(C)=O)cc1
323004171	ZINC000098097093	ref	0.79	-10.23	0	246.307	-0.32	2	4	9	CCO[C@@H](CC)C(=O)NCC(=O)NCCOC
342081482	ZINC000625320421	high	5.1	-9.52	0	299.378	1.428	0	5	2	CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccnc2ccnn12
342081483	ZINC000625321690	ref	2.99	-44.71	1	285.294	1.992	2	3	5	C=CC[NH+]1CCC(NC(=O)c2ocnc2C(F)F)CC1
342081484	ZINC000625321690	high	0.59	-10.1	0	285.294	1.992	1	4	5	C=CCN1CCC(NC(=O)c2ocnc2C(F)F)CC1
365620433	ZINC000274313857	ref	3.9	-14.54	0	262.313	1.11	2	4	4	CC(=O)N[C@@H](C(=O)Nc1cncnc1)C1CCCC1
365620438	ZINC000274313614	ref	3.04	-9.24	0	281.331	1.931	1	4	4	CCOC(=O)N[C@H]1CCCN(Cc2cncc(F)c2)C1
342081485	ZINC000625321973	ref	7.35	-38.4	1	288.395	1.917	1	3	3	C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn(C2CC2)c1
365620448	ZINC000274313614	low	5.78	-52.37	1	281.331	1.931	2	3	4	CCOC(=O)N[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1
342081486	ZINC000625321973	mid	8.05	-27.99	1	288.395	1.917	1	3	3	C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn(C2CC2)c1
365620455	ZINC000274313614	low	5.26	-51.58	1	281.331	1.931	2	3	4	CCOC(=O)N[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1
365620460	ZINC000353180637	ref	2.88	-6.16	0	251.273	1.03	1	4	5	CCOC(=O)[C@](C)(O)CN1CCC[C@@H]1C(F)F
342081487	ZINC000625321973	high	4.9	-11.97	0	288.395	1.917	0	4	3	CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn(C2CC2)c1
365620467	ZINC000353180637	low	4.93	-38.34	1	251.273	1.03	2	3	5	CCOC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H]1C(F)F
365620474	ZINC000353180637	low	5.36	-38.45	1	251.273	1.03	2	3	5	CCOC(=O)[C@](C)(O)C[N@H+]1CCC[C@@H]1C(F)F
342081488	ZINC000625321420	ref	2.9	-12.8	0	265.239	1.002	1	4	4	CCn1nncc1CNC(=O)N(C)CC(F)(F)F
342081489	ZINC000625320901	ref	5.01	-14.6	0	292.335	1.428	1	4	7	C[C@H](CC(=O)NCCCN1C(=O)CCC1=O)c1ccco1
365620478	ZINC000274310780	ref	5.01	-6.37	0	276.34	1.452	1	4	2	C[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cncnc1
342081490	ZINC000625322002	ref	1.23	-35.71	1	284.425	1.942	3	4	6	Cc1cnc(C(C)(C)[NH2+]C[C@@H](O)CC2(O)CCC2)s1
295666471	ZINC000126002639	mid	8.84	-40.57	1	343.537	2.27	2	3	5	CS[C@H]1CCCCN(C(=O)NC[C@H](C(C)C)[NH+]2CCOCC2)C1
365620484	ZINC000274310635	ref	3.83	-49.63	1	293.371	1.097	3	4	5	C[C@H]1C[NH+](CCCNC(=O)Nc2cncnc2)C[C@H](C)O1
290622911	ZINC000006853291	high	0.48	-48.12	-1	264.325	1.754	1	3	0	C[C@H]1CC[C@@H]2[C@@H](C1)c1c([nH]c(=O)[n-]c1=O)OC2(C)C
365620490	ZINC000274310635	mid	1.78	-12.2	0	293.371	1.097	2	5	5	C[C@H]1CN(CCCNC(=O)Nc2cncnc2)C[C@H](C)O1
365620494	ZINC000637717154	ref	3.67	-45.18	1	291.395	1.249	4	2	5	Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@H](C)O)C2)cc1
342597444	ZINC000590811481	ref	4.74	-39.56	1	254.374	1.402	1	2	3	CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1
342597445	ZINC000590811149	ref	5.06	-41.01	1	293.411	1.034	2	2	5	CC(C)[NH2+][C@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CC2)C1
365620434	ZINC000623043474	ref	2.47	-8.44	0	315.32	1.047	1	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)C(=O)NCC(F)F
342597446	ZINC000590810544	ref	3.73	-44.36	1	253.371	1.746	1	3	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cncs2)C1
365620443	ZINC000623044847	ref	1.88	-15.58	0	317.336	1.305	3	3	6	O=C(CC[C@@H]1NC(=O)NC1=O)N[C@@H](C(F)F)C1CCCCC1
342597447	ZINC000590811379	ref	3.8	-44.81	1	277.368	1.693	1	3	4	COc1ncccc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1
342597448	ZINC000616978912	ref	5.35	-8.52	0	261.329	1.624	0	5	4	CC[C@H](C)N(CC)C(=O)c1cnc2c(c1)nnn2C
185089642	ZINC000096078494	ref	2.73	-44.91	1	278.356	0.592	2	5	3	Cc1ccc(NC[C@H]2CO[C@]3(C[NH2+]CCOC3)C2)nn1
365620447	ZINC000623044847	high	0.12	-48.1	-1	317.336	1.305	2	3	6	O=C(CC[C@@H]1NC(=O)[N-]C1=O)N[C@@H](C(F)F)C1CCCCC1
342597449	ZINC000590811338	ref	5.63	-48.08	1	287.367	1.332	1	4	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cnn3cccnc23)C1
342597450	ZINC000590811897	ref	5.94	-43.32	1	278.4	1.814	1	3	4	CCn1nc(C)cc1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1
342597451	ZINC000590811482	ref	4.7	-39.7	1	254.374	1.402	1	2	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCOC2)C1
342597452	ZINC000590811011	ref	5.38	-39.83	1	256.39	1.792	1	2	7	COCCCCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
342597453	ZINC000590810661	ref	5.08	-41.3	1	297.443	1.528	2	2	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)CC(C)(C)C)C1
197595585	ZINC000162845236	ref	6.0	-13.65	0	319.251	3.272	1	4	6	Cc1cc(OC(F)F)c(C(=O)NOCCC(F)(F)F)s1
342597454	ZINC000590811644	ref	5.75	-44.76	1	286.416	1.417	1	3	8	CCOCCO[C@H](C)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
290622912	ZINC000492078593	ref	2.74	-12.39	0	312.41	1.831	2	4	2	CNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@@H]2C1(C)C
293078563	ZINC000367483847	ref	7.88	-9.04	0	315.822	3.207	0	4	3	CCOC(=O)C1(C)CCN(C(=O)c2ccc(Cl)s2)CC1
365620454	ZINC000623044909	ref	0.6	-7.81	0	316.308	1.414	4	4	4	Nc1c(C(=O)N[C@H](C(F)F)C2CCCCC2)[nH]c(=O)[nH]c1=O
342597455	ZINC000616978887	ref	8.39	-13.15	0	264.373	1.796	0	4	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCc2nnc(C)n2C1
342597456	ZINC000590811121	ref	6.47	-42.24	1	254.374	1.568	1	2	7	C=CCCOCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
342597457	ZINC000590811643	ref	5.79	-44.84	1	286.416	1.417	1	3	8	CCOCCO[C@@H](C)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
398245947	ZINC000036134675	high	1.95	-12.74	0	241.335	0.097	2	3	6	CC(C)C[C@@H](N)C(=O)N(C)CC(=O)NC1CC1
343994255	ZINC000625559219	ref	7.69	-33.64	1	225.376	2.97	1	1	8	CCO[C@@H](C[NH2+]C1(CC(C)C)CC1)C1CC1
178304972	ZINC000237275337	ref	3.67	-49.99	1	350.394	1.469	2	5	10	COCC[NH2+]CCNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1
365620441	ZINC000354673410	ref	3.04	-8.02	0	294.326	1.308	2	3	2	CCc1cc(NC(=O)C(=O)N2C[C@@H](O)C[C@@H]2C)ccc1F
365620446	ZINC000354674523	ref	2.94	-9.96	0	264.325	1.885	1	3	2	C[C@H]1C[C@@H](C)CN(C(=O)c2coc(C(N)=O)c2)[C@H]1C
178304976	ZINC000237275337	high	2.33	-11.78	0	350.394	1.469	2	6	10	COCCNCCNC(=O)CCc1nc(-c2ccc(C)c(F)c2)no1
178304980	ZINC000237267050	ref	11.5	-66.71	-1	359.43	1.762	0	7	7	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N(C)CCCC(=O)[O-])c2C)n1
178304983	ZINC000237280476	ref	4.83	-56.57	1	356.43	1.839	2	6	5	COc1ccc(NC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1-n1nnnc1C
365620451	ZINC000354674444	ref	2.25	-15.19	0	294.277	1.951	2	4	6	CC[C@@H](CC(F)(F)F)NC(=O)NCCc1nc(C)no1
178304987	ZINC000237269401	ref	6.19	-50.09	1	366.462	1.94	1	4	5	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3cc(C)cn3)c(F)c2)C1
365620458	ZINC000639789746	ref	1.66	-19.79	0	252.295	1.434	1	6	4	CN(Cc1cc(=O)c(O)co1)Cc1ccns1
178304992	ZINC000237268754	ref	5.91	-53.19	1	367.534	1.984	3	3	10	COCC[NH2+]CCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
365620462	ZINC000639789746	high	2.53	-57.24	-1	252.295	1.434	0	6	4	CN(Cc1cc(=O)c([O-])co1)Cc1ccns1
282123460	ZINC000408002333	ref	3.6	-17.3	0	287.323	0.74	2	5	2	Cc1cc(C(=O)N[C@@H]2CCc3nc(C)nn3C2)[nH]c(=O)c1
178304995	ZINC000237268754	high	4.57	-13.73	0	367.534	1.984	3	4	10	COCCNCCNC(=O)C1CCC(NC(=O)CC2CCCCC2)CC1
282123464	ZINC000171334887	ref	7.03	-14.77	0	343.189	2.777	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)c(Cl)cc1Cl)CC2
282123466	ZINC000171334391	ref	4.73	-14.03	0	291.742	1.38	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)ccn1)CC2
282123469	ZINC000263843568	ref	6.97	-13.13	0	323.356	1.986	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccccc3)on1)CC2
282123471	ZINC000287663927	ref	4.64	-17.32	0	282.307	0.598	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(C#N)ccn1)CC2
365620465	ZINC000354673155	ref	1.25	-11.28	0	294.351	1.89	3	4	6	CC[C@@H](C)[C@@H](NC(C)=O)C(=O)Nc1cc(O)cc(OC)c1
168366250	ZINC000082889208	ref	1.42	-44.2	1	191.23	1.813	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1cc2ccccc2o1
365620473	ZINC000354675361	ref	4.66	-23.07	0	265.378	1.736	1	2	3	Cc1cccc([C@H](C)C(=O)N[C@H]2CC[S@](=O)C2)c1
365620444	ZINC000576529662	ref	7.11	-13.63	0	201.229	1.958	0	4	3	CCc1nocc1Cn1ccc(C#N)c1
365620449	ZINC000576530484	ref	0.48	-92.14	2	213.281	-1.206	2	2	2	C[NH2+][C@@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21
342597458	ZINC000590810857	ref	6.6	-43.5	1	290.411	1.75	1	3	4	CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccnc(N(C)C)c2)C1
282123463	ZINC000117022243	high	3.39	-8.87	0	269.389	1.291	1	3	3	CN(C)C[C@@H]1CN(C(=O)NC2CCCCC2)CCO1
214188999	ZINC000278493912	ref	6.72	-8.24	0	305.74	2.899	0	3	2	O=C(c1cnc(Cl)cn1)N1CC[C@@H](c2cccc(F)c2)C1
349535494	ZINC000621495946	ref	7.66	-9.56	0	277.412	3.361	2	2	2	Cc1nc(C)c(C(=O)N[C@@H]2CCCC[C@@H]2C(C)(C)C)[nH]1
342597459	ZINC000590811480	ref	4.68	-46.78	1	254.374	1.402	1	2	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCOC2)C1
365620453	ZINC000576530484	high	-0.74	-41.84	1	213.281	-1.206	2	3	2	CN[C@@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21
365620457	ZINC000576530812	ref	6.47	-3.86	0	202.301	3.135	1	2	2	Cc1ccc(N[C@@H]2CCCC23CC3)cn1
342597460	ZINC000590811882	ref	5.17	-41.23	1	298.427	1.561	1	3	7	CC(C)[NH2+][C@@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1
342597461	ZINC000590811105	ref	4.06	-40.95	1	272.389	1.029	1	3	8	COCCOCCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
214189002	ZINC000278493499	ref	5.89	-42.77	1	323.389	1.625	1	5	10	COCC[NH+](CCOC)CCC(=O)c1ccc2c(c1)OCCO2
365620463	ZINC000576530812	low	6.9	-26.42	1	202.301	3.135	1	1	2	Cc1ccc(N[C@@H]2CCCC23CC3)c[nH+]1
342597462	ZINC000590810662	ref	5.09	-41.29	1	297.443	1.528	2	2	5	CC(C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)CC(C)(C)C)C1
342597463	ZINC000590811202	ref	5.59	-41.5	1	256.39	1.792	1	2	7	CCOCCCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
342597464	ZINC000590810670	ref	4.19	-43.5	1	250.346	1.321	2	2	3	Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)[nH]n1
214189004	ZINC000278493499	mid	4.28	-12.51	0	323.389	1.625	0	6	10	COCCN(CCOC)CCC(=O)c1ccc2c(c1)OCCO2
282123465	ZINC000117023891	ref	6.29	-38.48	1	283.416	1.681	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2CCCCCC2)CCO1
190494213	ZINC000269437429	ref	0.94	-9.84	0	266.345	-0.051	1	5	4	CC[C@@H](CO)N1CCN(C(=O)c2cnn(C)c2)CC1
190494214	ZINC000269437429	mid	2.95	-41.02	1	266.345	-0.051	2	4	4	CC[C@@H](CO)[NH+]1CCN(C(=O)c2cnn(C)c2)CC1
365620468	ZINC000576531249	ref	1.38	-19.08	0	226.232	-0.961	1	4	2	CN1C(=O)C[C@H](NC(=O)[C@H]2CCCO2)C1=O
342597465	ZINC000590810670	mid	4.33	-40.0	1	250.346	1.321	2	2	3	Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n[nH]1
349536219	ZINC000602431552	mid	4.63	-38.9	1	245.319	0.677	1	4	7	CCC[N@H+](CC(=O)OC)C[C@@]1(OC)CCOC1
365620476	ZINC000576530884	ref	3.55	-34.1	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@@H](O)C2(C)C)C1
342081491	ZINC000625322002	mid	-0.09	-7.49	0	284.425	1.942	3	5	6	Cc1cnc(C(C)(C)NC[C@@H](O)CC2(O)CCC2)s1
342081492	ZINC000625321971	ref	7.19	-39.45	1	288.395	1.917	1	3	3	C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(C2CC2)c1
342081493	ZINC000625321971	mid	7.83	-38.25	1	288.395	1.917	1	3	3	C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(C2CC2)c1
349535496	ZINC000621494882	ref	6.81	-7.52	0	291.782	3.103	1	3	4	CCn1ncc(Cl)c1C(=O)NCc1ccc(C)cc1C
349535499	ZINC000621496597	ref	8.03	-9.46	0	287.407	3.147	1	2	5	CCc1cnccc1[C@H](C)NC(=O)N1CC(CC2CC2)C1
342081494	ZINC000625321971	high	4.75	-9.17	0	288.395	1.917	0	4	3	CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn(C2CC2)c1
342081495	ZINC000625321999	ref	2.52	-35.72	1	284.425	1.942	3	4	6	Cc1cnc(C(C)(C)[NH2+]C[C@H](O)CC2(O)CCC2)s1
342081496	ZINC000625321999	mid	1.27	-7.14	0	284.425	1.942	3	5	6	Cc1cnc(C(C)(C)NC[C@H](O)CC2(O)CCC2)s1
342081497	ZINC000625320537	ref	5.03	-16.79	0	296.411	1.565	1	3	3	COC1CC(C(=O)N2CCC[C@@H](NC(=O)C(C)(C)C)C2)C1
342081498	ZINC000625321782	ref	4.27	-35.15	1	257.374	1.729	1	3	7	CC[C@@H]([NH2+]CCOC1CCOCC1)[C@@H]1CCCO1
342081499	ZINC000625320635	ref	1.99	-39.67	1	270.398	1.768	3	4	6	Cc1csc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)n1
214188997	ZINC000337629933	ref	0.03	-14.54	0	276.333	-0.558	2	5	8	CCN(CCOCCO)C(=O)NC[C@@H]1COCCO1
342081500	ZINC000625320635	mid	0.85	-6.4	0	270.398	1.768	3	5	6	Cc1csc([C@@H](C)NC[C@H](O)CC2(O)CCC2)n1
342081501	ZINC000625320685	ref	4.36	-45.62	1	252.362	1.233	2	3	5	C[C@@H]([NH2+]CC(=O)NCC(C)(C)C)c1cnn(C)c1
342081502	ZINC000625320685	mid	3.22	-12.4	0	252.362	1.233	2	4	5	C[C@@H](NCC(=O)NCC(C)(C)C)c1cnn(C)c1
349535501	ZINC000621497281	ref	7.83	-9.02	0	274.355	3.109	1	1	3	C[C@H]1CN(C(=O)NCC[C@@H]2CC2(F)F)CC(C)(C)C1
349535502	ZINC000621496198	ref	7.91	-9.58	0	288.382	3.499	1	1	3	CC(C)(C)[C@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
342081503	ZINC000625322010	ref	3.56	-47.95	1	280.759	1.334	2	4	6	Cn1cc(CC[NH2+][C@H](CO)c2ccc(Cl)cc2)nn1
342081504	ZINC000625322010	high	2.36	-10.9	0	280.759	1.334	2	5	6	Cn1cc(CCN[C@H](CO)c2ccc(Cl)cc2)nn1
214189000	ZINC000337630392	ref	3.38	-44.06	1	291.395	0.785	2	3	7	Cc1cccc(OCCCNC(=O)CN2CC[NH2+]CC2)c1
342081505	ZINC000625320769	ref	6.94	-40.79	1	272.352	1.641	1	4	3	C[C@H]1COc2ccccc2C[N@@H+]1CCc1cn(C)nn1
342081506	ZINC000625320769	mid	6.86	-41.25	1	272.352	1.641	1	4	3	C[C@H]1COc2ccccc2C[N@H+]1CCc1cn(C)nn1
349535500	ZINC000618815367	mid	5.64	-21.14	0	290.371	1.543	1	5	7	CCCCCc1cc(C(=O)N(C)Cc2cn(C)nn2)n[nH]1
222609010	ZINC000170624779	ref	8.82	-53.39	-1	365.364	2.69	1	5	5	N#CCCn1c(=O)c(C(=O)NCc2ccc(F)cc2)c([O-])c2ccccc21
342081507	ZINC000625320769	high	4.61	-11.47	0	272.352	1.641	0	5	3	C[C@H]1COc2ccccc2CN1CCc1cn(C)nn1
230233776	ZINC000331055234	ref	-0.17	-10.48	0	285.3	-1.463	2	6	4	CCOC(=O)[C@](C)(O)CN1CCN2C(=O)NC(=O)[C@H]2C1
214188998	ZINC000293620817	ref	2.22	-13.31	0	373.413	0.67	2	7	7	Cn1ncc(CCCNC(=O)C(=O)Nc2ccc(O[C@H]3CCOC3)cc2)n1
214189005	ZINC000293631562	ref	7.77	-22.3	0	360.414	0.563	1	7	8	COC[C@@]1(CNC(=O)COCc2nncn2C)OCCc2ccccc21
293078739	ZINC000360284499	ref	7.04	-9.26	0	267.413	3.088	0	2	4	COC[C@H](C)[C@H](C)C(=O)N1CCC2(CCCCC2)C1
197595596	ZINC000290103454	ref	6.36	-5.16	0	277.389	3.064	1	4	6	COc1ccccc1N(CCO)Cc1ccc(C)s1
214189009	ZINC000293616991	ref	3.01	-17.55	0	357.432	0.524	1	5	4	COC(=O)c1[nH]c(C)c(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1C
214189013	ZINC000293629367	ref	6.71	-92.49	2	363.506	0.937	4	3	10	C[C@H](CNC(=O)c1cncc(C(=O)NC[C@@H](C)C[NH+](C)C)c1)C[NH+](C)C
197595598	ZINC000290103362	ref	6.67	-44.83	1	295.423	3.21	1	3	9	CC[C@H](C[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1)OC
197595600	ZINC000290101444	ref	3.32	-9.02	0	296.392	1.66	0	4	3	CC1(C)CN(S(=O)(=O)c2cccnc2)[C@@H]1[C@H]1CCCO1
214189016	ZINC000293628494	ref	4.18	-11.6	0	371.441	0.904	1	6	3	Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)cn2ccnc12
214189020	ZINC000293628494	mid	4.68	-31.33	1	371.441	0.904	1	5	3	Cc1cc(NC(=O)C(=O)N2CCC[C@H]2CN2CCOCC2)cn2cc[nH+]c12
214189024	ZINC000293628494	low	7.09	-76.34	2	371.441	0.904	2	4	3	Cc1cc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)cn2cc[nH+]c12
342081508	ZINC000625321511	ref	3.13	-49.0	1	290.367	1.046	3	5	6	C[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1nnc2ccccn12
342081509	ZINC000625321511	mid	1.8	-17.13	0	290.367	1.046	3	6	6	C[C@H](NC[C@@H](O)CC1(O)CCC1)c1nnc2ccccn12
342081510	ZINC000625322102	ref	-1.11	-6.54	0	271.744	1.629	2	4	4	CN(Cc1cc(O)ccc1Cl)[C@]1(CO)CCOC1
342081511	ZINC000625322102	low	1.07	-37.85	1	271.744	1.629	3	3	4	C[N@H+](Cc1cc(O)ccc1Cl)[C@]1(CO)CCOC1
342081512	ZINC000625322102	low	1.07	-36.39	1	271.744	1.629	3	3	4	C[N@@H+](Cc1cc(O)ccc1Cl)[C@]1(CO)CCOC1
290622915	ZINC000492525902	ref	5.5	-8.12	0	274.364	2.475	1	3	3	Cc1ccc(/C=C/C(=O)NC2C[C@H](C)O[C@@H](C)C2)nc1
365620445	ZINC000172795043	high	5.62	-10.76	0	299.418	1.88	0	3	2	Cc1ccc(N2CC[C@H](N3CCN4CCC[C@@H]4C3)C2=O)cc1
365620452	ZINC000567751247	ref	4.77	-45.97	1	289.379	1.122	3	2	8	CNC(=O)C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1
365620459	ZINC000172801355	ref	4.44	-40.59	1	273.38	1.456	2	2	3	NC(=O)c1ccc(CN2CC[N@@H+]3CCCC[C@@H]3C2)cc1
365620469	ZINC000172801355	mid	4.12	-40.61	1	273.38	1.456	2	2	3	NC(=O)c1ccc(CN2CC[N@H+]3CCCC[C@@H]3C2)cc1
365620472	ZINC000172801355	low	4.32	-46.83	1	273.38	1.456	2	2	3	NC(=O)c1ccc(C[N@@H+]2CCN3CCCC[C@@H]3C2)cc1
365620477	ZINC000172801355	low	3.72	-46.18	1	273.38	1.456	2	2	3	NC(=O)c1ccc(C[N@H+]2CCN3CCCC[C@@H]3C2)cc1
365620483	ZINC000172801355	high	1.87	-8.64	0	273.38	1.456	1	3	3	NC(=O)c1ccc(CN2CCN3CCCC[C@@H]3C2)cc1
197595602	ZINC000290101955	ref	1.56	-43.9	1	252.318	0.881	2	4	4	CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](C)c1ncon1
342597466	ZINC000590810392	ref	5.65	-41.28	1	254.374	1.544	1	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)C[C@H]2CCCO2)C1
365620491	ZINC000172794966	ref	5.67	-7.58	0	260.337	1.933	1	3	2	Cc1ncccc1C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
365620499	ZINC000172795062	ref	5.8	-17.64	0	299.33	1.907	1	4	3	Cc1cc(C(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2=O)no1
185089645	ZINC000096078725	ref	3.55	-11.34	0	294.351	0.648	0	5	2	Cc1ccc(CN2CCOC[C@]3(C2)CN(C)C(=O)CO3)o1
365620507	ZINC000172793978	ref	7.99	-24.54	0	289.314	1.422	0	5	3	C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)Cn2cnnn2)C1
342597467	ZINC000590811148	ref	5.05	-40.73	1	293.411	1.034	2	2	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)C2(C(=O)NC3CC3)CC2)C1
185089646	ZINC000096078725	mid	4.96	-45.16	1	294.351	0.648	1	4	2	Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(C)C(=O)CO3)C2)o1
365620516	ZINC000172796413	ref	4.62	-9.77	0	292.335	1.051	1	5	3	COC(=O)c1cc(C)ccc1NC(=O)[C@H]1CN(C)CCO1
365620523	ZINC000172796413	low	6.89	-34.53	1	292.335	1.051	2	4	3	COC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[N@H+](C)CCO1
342597468	ZINC000590810672	ref	4.14	-43.47	1	250.346	1.321	2	2	3	Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)[nH]n1
168364965	ZINC000368498904	low	6.21	-50.75	1	335.839	3.083	1	5	5	COc1ncc([C@@H](C)[NH2+][C@@H](C)c2nnc3n2CCCC3)cc1Cl
365620534	ZINC000172796413	low	7.04	-42.45	1	292.335	1.051	2	4	3	COC(=O)c1cc(C)ccc1NC(=O)[C@H]1C[N@@H+](C)CCO1
185089647	ZINC000096078725	mid	6.15	-48.67	1	294.351	0.648	1	4	2	Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(C)C(=O)CO3)C2)o1
342597469	ZINC000590810672	mid	4.34	-40.16	1	250.346	1.321	2	2	3	Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n[nH]1
342597470	ZINC000590811313	ref	4.88	-42.98	1	276.38	1.924	2	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2cccc(O)c2)C1
185089648	ZINC000096077107	ref	2.52	-31.9	1	263.341	0.676	2	3	2	CN1CCNC(=O)C12CC[NH+](Cc1ccco1)CC2
342597471	ZINC000616978886	ref	8.6	-13.03	0	264.373	1.796	0	4	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCc2nnc(C)n2C1
342597472	ZINC000590811113	ref	7.14	-53.24	1	268.401	1.79	1	2	6	CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)OCC2CC2)C1
214189003	ZINC000337630392	high	2.01	-9.76	0	291.395	0.785	2	4	7	Cc1cccc(OCCCNC(=O)CN2CCNCC2)c1
185089649	ZINC000096077107	mid	0.18	-7.38	0	263.341	0.676	1	4	2	CN1CCNC(=O)C12CCN(Cc1ccco1)CC2
295666473	ZINC000129899660	ref	8.14	-7.52	0	326.506	3.405	1	3	2	CS[C@H]1CCCCN(C(=O)N[C@@H]2CCOC3(CCCC3)C2)C1
222609020	ZINC000125789854	ref	1.79	-18.86	0	327.812	1.325	3	3	6	CN(C)C(=O)CCNC(=O)NC[C@](C)(O)c1ccccc1Cl
295666475	ZINC000346208212	ref	7.58	-8.66	0	298.374	3.208	0	2	3	CS[C@H]1CCCCN(C(=O)N(C)CCC(F)(F)F)C1
342597473	ZINC000590811156	ref	6.4	-45.49	1	290.411	1.9	1	3	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)c2C2CC2)C1
365620461	ZINC000623044909	high	-1.49	-42.02	-1	316.308	1.414	3	4	4	Nc1c(C(=O)N[C@H](C(F)F)C2CCCCC2)[nH]c(=O)[n-]c1=O
214189008	ZINC000337628449	ref	6.72	-41.09	1	267.417	2.35	3	1	5	C[C@H]1CCC[C@@H]1NC(=O)NCCC[NH+]1CCCCC1
342597474	ZINC000616978885	ref	8.45	-13.02	0	264.373	1.796	0	4	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCc2nnc(C)n2C1
342597475	ZINC000590810622	ref	5.33	-44.39	1	272.389	1.029	1	3	8	CCOCCOCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
290622916	ZINC000257279651	ref	2.45	-25.85	0	321.377	0.888	2	4	3	CNC(=O)[C@]1(C)CN(C(=O)c2ccc(C(C)C)[nH]c2=O)CCO1
342597476	ZINC000590811945	ref	4.94	-41.59	1	276.38	1.924	2	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2O)C1
168364966	ZINC000368500011	ref	8.7	-53.58	1	330.472	3.429	2	2	7	CC(C)COc1ccc([C@H](C)[NH2+][C@H]2CCC(=O)N[C@@H]2C2CC2)cc1
214189018	ZINC000337631651	ref	4.15	-39.15	1	264.316	0.947	2	2	5	CC[NH+](CC)CC(=O)N1CCC(O)(C(F)F)CC1
342597477	ZINC000616978921	ref	6.54	-20.19	0	251.33	1.647	1	3	4	CC[C@@H](C)N(CC)C(=O)c1nc(C)c(C)[nH]c1=O
342597478	ZINC000590810543	ref	3.88	-43.01	1	253.371	1.746	1	3	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cncs2)C1
365620464	ZINC000121830396	mid	6.76	-48.13	1	299.212	2.407	2	1	6	CC(=O)NCCC[N@H+](C)Cc1cccc(Br)c1
293078747	ZINC000457928051	ref	5.46	-10.2	0	281.396	1.933	0	3	4	COC[C@H](C)[C@H](C)C(=O)N1CC2(CCC2)[C@H]2COC[C@@H]21
349535503	ZINC000618816364	ref	2.95	-11.92	0	273.336	1.616	3	3	4	C[C@@H](CCO)NC(=O)N[C@H]1CCc2cc(C#N)ccc21
365620466	ZINC000121830396	high	4.44	-8.61	0	299.212	2.407	1	2	6	CC(=O)NCCCN(C)Cc1cccc(Br)c1
349535505	ZINC000618816065	ref	6.68	-25.36	0	288.351	1.551	0	5	6	CCO[C@@H](C(=O)N(C)Cc1cn(C)nn1)c1ccccc1
365620475	ZINC000121824341	ref	6.79	-8.4	0	291.395	2.422	0	4	5	CCCn1ncc(C(=O)N2CCO[C@@H](CC)C2)c1C1CC1
178304977	ZINC000045620922	ref	6.99	-10.89	0	232.327	2.814	1	3	4	Cc1cc2ncn(CCC[C@@H](C)O)c2cc1C
349535507	ZINC000618816273	ref	4.39	-13.24	0	286.335	1.283	1	5	4	CN(Cc1cn(C)nn1)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1
365620482	ZINC000121827360	ref	6.59	-39.4	1	290.386	2.303	1	3	7	C[C@H](Cn1cccn1)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C
178304979	ZINC000045620922	low	7.47	-33.34	1	232.327	2.814	1	2	4	Cc1cc2[nH+]cn(CCC[C@@H](C)O)c2cc1C
214189006	ZINC000053560666	ref	7.21	-19.42	0	337.376	2.49	2	6	10	CNC(=O)c1ccc(NCCCCCCC(=O)OC)c([N+](=O)[O-])c1
365620488	ZINC000121826203	ref	3.72	-5.82	0	290.407	2.105	2	3	6	CCC[C@@](C)(O)C(=O)NC[C@H](C)N1CCc2ccccc21
365620496	ZINC000121830163	ref	6.1	-6.45	0	292.379	2.447	1	3	5	Cc1ccc(NC(=O)C(=O)N(C)C)cc1OCCC(C)C
365620504	ZINC000121828727	ref	6.88	-11.57	0	274.364	2.424	1	3	9	COCCCCCNC(=O)CCc1ccc(C#N)cc1
192038047	ZINC000418463182	ref	5.97	-45.39	1	241.379	1.816	2	1	7	CCC[NH2+]CCNC(=O)N(C)[C@H](C)C1(C)CC1
306974244	ZINC000360133628	ref	5.94	-15.85	0	316.365	1.405	1	8	4	COC(=O)c1cncc(N[C@@H]2CCc3nnc(C(C)C)n3C2)n1
185089655	ZINC000096076493	ref	5.41	-36.97	1	295.452	2.077	1	4	3	CC[N@@H+]1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1
365620511	ZINC000121822578	ref	7.88	-9.38	0	293.363	2.158	1	4	7	CC(C)OC(=O)[C@H](NC(=O)COc1ccccc1)C(C)C
365620524	ZINC000121826036	ref	4.08	-8.48	0	292.77	2.223	1	5	6	CN(CCOc1ccc(Cl)cc1)Cc1nccc(N)n1
365620535	ZINC000121826036	low	6.43	-38.05	1	292.77	2.223	2	4	6	C[N@H+](CCOc1ccc(Cl)cc1)Cc1nccc(N)n1
259308641	ZINC000306106673	ref	9.62	-42.09	1	249.423	3.789	1	1	4	Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCSC2)cc1
178304984	ZINC000062439901	ref	6.13	-15.9	0	228.299	1.894	1	4	3	Cc1cc2ncn(CC[C@@H](N)C#N)c2cc1C
343994257	ZINC000599271523	ref	6.38	-18.37	0	291.307	1.311	0	6	6	CCN(Cc1ccoc1)C(=O)Cn1cc(C(=O)OC)cn1
342081513	ZINC000625322102	high	-0.67	-42.01	-1	271.744	1.629	1	4	4	CN(Cc1cc([O-])ccc1Cl)[C@]1(CO)CCOC1
342081514	ZINC000625321510	ref	4.41	-48.93	1	290.367	1.046	3	5	6	C[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1nnc2ccccn12
282123468	ZINC000117023891	high	3.74	-8.92	0	283.416	1.681	1	3	3	CN(C)C[C@@H]1CN(C(=O)NC2CCCCCC2)CCO1
214189010	ZINC000278492512	ref	5.64	-9.0	0	303.789	2.327	2	2	6	C#CCC(CC#C)C(=O)NC[C@@](C)(O)c1ccccc1Cl
365620470	ZINC000336541759	ref	4.85	-18.99	0	274.349	2.153	1	5	3	Cc1c([C@@H](C)NC(=O)c2cscc2C#N)cnn1C
342081515	ZINC000625321510	mid	3.15	-16.67	0	290.367	1.046	3	6	6	C[C@H](NC[C@H](O)CC1(O)CCC1)c1nnc2ccccn12
342081516	ZINC000625320870	ref	4.21	-42.62	1	264.329	1.236	1	5	7	COC[C@@H]([NH2+]CCc1cn(C)nn1)c1ccc(C)o1
185089656	ZINC000096076493	mid	6.02	-32.16	1	295.452	2.077	1	4	3	CC[N@H+]1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1
365620489	ZINC000336541709	ref	7.23	-14.64	0	279.29	2.212	0	3	3	Cc1c(CC(=O)N(C)c2ccc(F)c(F)c2)cnn1C
290622917	ZINC000492525414	ref	4.74	-10.56	0	277.686	2.343	1	3	3	O=C(C=Cc1ccnc(Cl)c1)Nc1ccncc1F
185089657	ZINC000096076493	high	3.54	-3.53	0	295.452	2.077	0	5	3	CCN1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1
222609041	ZINC000170626368	ref	10.58	-19.02	0	362.445	2.985	0	3	5	C[C@@H]1CCCC[C@H]1OCC(=O)N(C)[C@@H]1CCN(c2ccccc2F)C1=O
222609043	ZINC000170626760	ref	10.29	-14.45	0	370.456	5.269	2	4	5	CC1=NN(c2ccc(C(=O)Nc3cccc(Nc4ccccc4)c3)cc2)CC1
342081517	ZINC000625320870	mid	3.01	-12.85	0	264.329	1.236	1	6	7	COC[C@@H](NCCc1cn(C)nn1)c1ccc(C)o1
185089658	ZINC000096075919	ref	3.76	-34.79	1	261.369	1.76	1	3	4	CC[N@@H+]1CC[C@@]12CCN(Cc1cccnc1OC)C2
342081518	ZINC000625320686	ref	4.61	-35.02	1	250.342	1.928	1	3	6	C[C@@H]([NH2+]CCOC1CCOCC1)c1ccccn1
342081519	ZINC000625320686	high	3.35	-7.26	0	250.342	1.928	1	4	6	C[C@@H](NCCOC1CCOCC1)c1ccccn1
342081520	ZINC000625321905	ref	2.92	-56.02	1	290.354	1.682	2	2	6	NC(=O)C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCOCC1
342081521	ZINC000625320688	ref	4.62	-35.74	1	250.342	1.928	1	3	6	C[C@H]([NH2+]CCOC1CCOCC1)c1ccccn1
342081522	ZINC000625320688	high	3.36	-7.04	0	250.342	1.928	1	4	6	C[C@H](NCCOC1CCOCC1)c1ccccn1
342081523	ZINC000625321906	ref	3.34	-47.24	1	290.354	1.682	2	2	6	NC(=O)C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C1CCOCC1
365620471	ZINC000623044537	ref	7.53	-51.35	1	317.433	1.763	2	2	4	CC1(C)C[N@H+](Cc2ccccc2)C(C)(C)CN1C(=O)CC(N)=O
365620481	ZINC000623044537	mid	7.53	-51.94	1	317.433	1.763	2	2	4	CC1(C)C[N@@H+](Cc2ccccc2)C(C)(C)CN1C(=O)CC(N)=O
365620487	ZINC000623044537	high	5.73	-17.6	0	317.433	1.763	1	3	4	CC1(C)CN(C(=O)CC(N)=O)C(C)(C)CN1Cc1ccccc1
365620495	ZINC000623043880	ref	2.31	-14.14	0	311.378	1.475	3	5	8	COc1cc(CCCNC(=O)[C@H](O)C(C)C)cc(OC)c1O
365620505	ZINC000623043425	ref	2.29	-14.42	0	322.409	1.502	2	4	7	CCC[C@@H](NC(N)=O)C(=O)N(C)Cc1c(C)cc(C)nc1OC
185089659	ZINC000096075919	mid	3.76	-34.55	1	261.369	1.76	1	3	4	CC[N@H+]1CC[C@@]12CCN(Cc1cccnc1OC)C2
365620512	ZINC000623042975	ref	5.34	-19.6	0	309.435	1.976	2	3	7	CCCC[C@H](NC(N)=O)C(=O)N1CC(Cc2ccsc2)C1
365620518	ZINC000623043286	ref	1.19	-9.59	0	322.405	1.455	1	5	5	COc1nc(C)cc(C)c1CN(C)C(=O)C1(CO)CCOCC1
178304991	ZINC000062439901	low	6.47	-73.47	1	228.299	1.894	1	3	3	Cc1cc2ncn(CC[C@@H]([NH3+])C#N)c2cc1C
365620521	ZINC000623044126	ref	4.31	-47.76	1	322.405	1.552	3	4	8	COc1cc(CCCNC(=O)C2([NH+](C)C)CC2)cc(OC)c1O
365620522	ZINC000623044126	mid	1.92	-12.94	0	322.405	1.552	2	5	8	COc1cc(CCCNC(=O)C2(N(C)C)CC2)cc(OC)c1O
365620536	ZINC000623043300	ref	1.13	-15.12	0	308.382	1.112	2	4	6	COc1nc(C)cc(C)c1CN(C)C(=O)C[C@@H](C)NC(N)=O
365620551	ZINC000623043087	ref	4.05	-17.17	0	304.39	1.196	2	3	4	CC(=O)N1CC[C@@H](NC(=O)[C@H](O)[C@H](C)c2ccc(C)cc2)C1
178304994	ZINC000062439901	low	6.94	-122.95	2	228.299	1.894	1	2	3	Cc1cc2[nH+]cn(CC[C@@H]([NH3+])C#N)c2cc1C
185089660	ZINC000096075919	high	0.7	-5.19	0	261.369	1.76	0	4	4	CCN1CC[C@@]12CCN(Cc1cccnc1OC)C2
365620562	ZINC000623043777	ref	-0.49	-15.87	0	301.302	1.359	2	6	4	O=C(Nc1ccc(Oc2cccnn2)cc1)[C@@]1(O)CCOC1
365620573	ZINC000623043219	ref	5.5	-16.79	0	321.421	1.924	0	4	7	COc1nc(C)cc(C)c1CN(C)C(=O)CCCC(=O)N(C)C
178304998	ZINC000079031053	ref	5.58	-47.31	1	216.288	1.505	1	3	1	Cc1cc2nccc(C3CC[NH2+]CC3)n2n1
365620588	ZINC000623042590	ref	4.83	-13.24	0	307.419	1.54	1	3	3	NC(=O)N1CCC[C@@H](C(=O)N2CC(Cc3ccsc3)C2)C1
365620598	ZINC000623042807	ref	2.27	-26.12	0	317.267	1.157	2	3	2	CC(=O)N1CC[C@@H](NC(=O)c2ccc(C(F)(F)F)c(=O)[nH]2)C1
365620613	ZINC000623044336	ref	5.16	-8.25	0	302.374	1.365	2	3	4	C[C@H]1c2ccccc2CN1C(=O)[C@@H](NC(=O)C1CC1)[C@@H](C)O
178304999	ZINC000237266951	ref	9.53	-51.14	1	358.417	1.752	1	4	4	C[NH2+]C[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3F)c(C)cc2=O)C1
342597479	ZINC000590810774	ref	4.46	-43.2	1	250.346	1.023	1	3	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccnn2C)C1
178305002	ZINC000237278043	ref	5.62	-50.26	1	353.488	1.082	1	3	8	C[NH2+]CCN(C)C(=O)CCc1ccc(S(=O)(=O)N2CCCC2)cc1
185089661	ZINC000096078014	ref	4.7	-12.93	0	273.336	1.309	0	3	1	CC(=O)N1CCC12CCN(C(=O)c1cccnc1)CC2
342597480	ZINC000590811115	ref	7.14	-52.92	1	268.401	1.79	1	2	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)OCC2CC2)C1
192339909	ZINC000081926455	ref	2.08	-55.84	1	311.384	1.951	1	5	4	[NH3+][C@@H](CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2
342597481	ZINC000616978803	ref	3.4	-14.92	0	298.408	1.903	1	3	5	CC[C@H](C)N(CC)C(=O)c1cccc(S(N)(=O)=O)c1C
342597482	ZINC000590811204	ref	5.55	-41.3	1	256.39	1.792	1	2	7	CCOCCCC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
342597483	ZINC000590810570	ref	5.27	-42.47	1	297.443	1.528	2	2	7	CC(C)CCC(=O)NCC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
306234483	ZINC000557853268	ref	4.08	-14.03	0	348.447	1.61	2	5	4	Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C
342597484	ZINC000590811838	ref	5.65	-40.32	1	276.384	1.501	2	2	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1
342597485	ZINC000590810689	ref	8.14	-51.51	1	287.367	1.332	1	4	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc3nncn3c2)C1
197595620	ZINC000290103369	ref	6.6	-39.45	1	295.423	3.21	1	3	9	CC[C@H](C[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1)OC
342597486	ZINC000616978804	ref	3.29	-15.0	0	298.408	1.903	1	3	5	CC[C@@H](C)N(CC)C(=O)c1cccc(S(N)(=O)=O)c1C
342597487	ZINC000590810959	ref	6.34	-43.29	1	278.4	1.342	1	3	5	CC(C)[NH2+][C@H]1CCCN(C(=O)CCc2cnn(C)c2)C1
342597488	ZINC000590811342	ref	7.16	-42.37	1	268.401	1.935	1	2	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)COC2CCCC2)C1
185089662	ZINC000096077997	ref	10.85	-35.36	1	295.39	2.117	1	4	3	c1ccc(C[NH+]2CCC3(CCN3c3ncccn3)CC2)nc1
197595628	ZINC000290101260	ref	4.32	-6.54	0	276.336	3.407	0	5	6	CCOc1cccc(-c2nc([C@@](C)(CC)OC)no2)c1
342597489	ZINC000590811883	ref	5.18	-41.12	1	298.427	1.561	1	3	7	CC(C)[NH2+][C@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1
342597490	ZINC000590811112	ref	7.13	-42.97	1	268.401	1.79	1	2	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)OCC2CC2)C1
349536222	ZINC000602431552	mid	5.0	-37.98	1	245.319	0.677	1	4	7	CCC[N@@H+](CC(=O)OC)C[C@@]1(OC)CCOC1
185089663	ZINC000096077997	mid	8.6	-9.42	0	295.39	2.117	0	5	3	c1ccc(CN2CCC3(CC2)CCN3c2ncccn2)nc1
342081524	ZINC000625321707	ref	0.94	-6.75	0	270.398	1.768	3	5	6	Cc1nc([C@@H](C)NC[C@H](O)CC2(O)CCC2)cs1
342081525	ZINC000625321707	mid	2.15	-36.03	1	270.398	1.768	3	4	6	Cc1nc([C@@H](C)[NH2+]C[C@H](O)CC2(O)CCC2)cs1
222609028	ZINC000222539245	ref	10.38	-27.18	0	389.839	2.954	1	4	7	CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-]
343994259	ZINC000625559333	ref	3.59	-11.67	0	243.303	1.821	1	2	5	C/C=C\CNS(=O)(=O)Cc1ccccc1F
222609035	ZINC000222519622	ref	9.72	-21.58	0	388.895	3.499	1	3	7	CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1
214189014	ZINC000278492910	ref	7.74	-46.21	1	319.434	1.593	1	6	5	Cn1nnnc1SC[C@H]1C[N@H+](Cc2ccccc2)CCCO1
185089664	ZINC000096076000	ref	7.2	-42.22	1	260.337	1.98	1	2	3	O=C(c1ccco1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
349535504	ZINC000621495833	ref	7.64	-5.26	0	267.413	3.278	1	2	4	COCC1(C(=O)N[C@H]2CCC[C@H](C)C2)CCCCC1
342081526	ZINC000625322013	ref	3.56	-48.31	1	280.759	1.334	2	4	6	Cn1cc(CC[NH2+][C@@H](CO)c2ccc(Cl)cc2)nn1
214189017	ZINC000278492910	mid	7.54	-48.61	1	319.434	1.593	1	6	5	Cn1nnnc1SC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1
214189019	ZINC000278492910	high	5.52	-8.89	0	319.434	1.593	0	7	5	Cn1nnnc1SC[C@H]1CN(Cc2ccccc2)CCCO1
342081527	ZINC000625322013	high	2.47	-10.72	0	280.759	1.334	2	5	6	Cn1cc(CCN[C@@H](CO)c2ccc(Cl)cc2)nn1
342081528	ZINC000625321542	ref	1.91	-38.84	1	253.342	1.905	3	3	6	Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)o1
214189023	ZINC000278491992	ref	8.3	-8.52	0	300.402	2.726	0	3	3	CN(C)c1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCC2=O)c1
214189025	ZINC000278492119	ref	8.02	-24.07	0	311.345	1.931	1	6	4	COc1cc(C)cc(NC(=O)Cc2nc3ncccn3n2)c1C
222609037	ZINC000222536398	ref	7.94	-19.32	0	390.867	2.891	1	4	8	CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(OC)cc1
342081529	ZINC000625321542	high	0.65	-6.9	0	253.342	1.905	3	4	6	Cc1ccc([C@H](C)NC[C@@H](O)CC2(O)CCC2)o1
342081530	ZINC000625320490	ref	1.25	-44.79	1	251.33	1.39	1	4	5	COc1cncc(C[NH2+][C@H](C)[C@@H]2CCCOC2)n1
342081531	ZINC000625320490	high	0.17	-5.88	0	251.33	1.39	1	5	5	COc1cncc(CN[C@H](C)[C@@H]2CCCOC2)n1
342081532	ZINC000127124915	ref	1.12	-11.91	0	294.174	1.499	2	3	4	CC(C)NS(=O)(=O)Nc1cccc(Br)n1
342081533	ZINC000127124915	high	1.19	-44.13	-1	294.174	1.499	1	3	4	CC(C)NS(=O)(=O)[N-]c1cccc(Br)n1
342081534	ZINC000625320607	ref	3.98	-9.84	0	285.409	1.951	1	3	8	COCCS(=O)(=O)NCc1ccccc1CC(C)C
365620479	ZINC000354674991	ref	5.26	-13.8	0	280.299	1.597	1	4	4	COC(=O)[C@@H]1CC[C@@H]1C(=O)N[C@@H](C)c1cncc(F)c1
185089665	ZINC000096076000	mid	7.28	-40.83	1	260.337	1.98	1	2	3	O=C(c1ccco1)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
178305005	ZINC000019280574	ref	6.64	-45.01	1	229.327	2.705	1	2	1	Cc1cc2ncn([C@H]3CCC[C@H]3[NH3+])c2cc1C
178305011	ZINC000019280574	low	7.12	-104.07	2	229.327	2.705	1	1	1	Cc1cc2[nH+]cn([C@H]3CCC[C@H]3[NH3+])c2cc1C
178305014	ZINC000189442317	ref	9.49	-10.22	0	246.354	3.468	0	3	5	Cc1cc2ncn(CCCOC(C)C)c2cc1C
365620486	ZINC000354673673	ref	4.82	-16.64	0	299.342	1.705	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1C[C@H]1c1ccc(F)c(F)c1
178305020	ZINC000189442317	low	9.97	-33.18	1	246.354	3.468	0	2	5	Cc1cc2[nH+]cn(CCCOC(C)C)c2cc1C
178305024	ZINC000072112368	ref	4.53	-12.54	0	240.266	1.604	2	4	1	Cc1cc2nn(-c3ccccc3)c(N)c2c(=O)[nH]1
214189015	ZINC000053555423	ref	6.66	-9.47	0	332.364	2.915	0	8	5	C[C@H](Sc1nnnn1-c1cccc(F)c1)c1nc(C2CC2)no1
365620493	ZINC000354674559	ref	4.75	-8.36	0	257.33	1.261	1	4	6	CCOC(=O)CNC(=O)C[C@H]1CCC[C@H](OC)C1
365620500	ZINC000354675381	ref	5.48	-38.27	1	282.428	1.942	3	2	7	C/C=C/C[C@H](CO)NC(=O)C1(C[NH+](C)C)CCCCC1
185089666	ZINC000096076000	high	4.21	-7.93	0	260.337	1.98	0	3	3	O=C(c1ccco1)N1CC[C@@]2(CCN2CC2CC2)C1
365620506	ZINC000354673493	ref	6.65	-11.0	0	265.382	1.894	1	3	3	CCn1[nH]c(=NC(=O)[C@H]2CCSC2)cc1C1CC1
365620514	ZINC000354675374	ref	3.94	-45.11	1	295.427	1.331	3	2	8	CCCC1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCC1
349535506	ZINC000621497746	ref	7.64	-9.23	0	288.382	3.499	1	1	4	CC(C)C1(C)CCN(C(=O)NCC[C@@H]2CC2(F)F)CC1
365638702	ZINC000123521016	mid	9.05	-35.2	1	250.386	2.287	1	1	5	C=C(C)CN(CC)C(=O)C[N@H+]1CCC2(CCC2)C1
214189021	ZINC000053556688	ref	9.12	-14.41	0	346.402	3.227	1	3	7	COc1ccc(CN(C)C(=O)NCCc2ccccc2F)c(OC)c1
365638704	ZINC000123521016	high	6.41	-6.82	0	250.386	2.287	0	2	5	C=C(C)CN(CC)C(=O)CN1CCC2(CCC2)C1
365638708	ZINC000123493549	ref	6.29	-11.64	0	288.391	2.341	1	3	3	O=C(N[C@H]1CCCN(c2ccccc2)C1)[C@@H]1CCCCO1
365638715	ZINC000123447244	ref	7.86	-16.17	0	283.784	2.478	0	4	4	C[C@@H](c1ccc(Cl)cc1)[S@@](=O)Cc1nncn1C
178305029	ZINC000040229457	ref	4.85	-10.78	0	234.299	1.662	1	4	5	Cc1cc2ncn(CCOCCO)c2cc1C
365638720	ZINC000123567497	ref	5.25	-34.91	1	265.401	2.335	2	3	4	CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C
222609030	ZINC000125797877	ref	6.65	-10.35	0	345.378	1.155	1	5	2	Cc1cc(NC(=O)C(=O)N2CCN(c3ccccc3F)CC2)nn1C
178305007	ZINC000237282674	ref	6.55	-93.62	2	361.486	1.717	3	3	9	COc1cccc([C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)[NH+]2CCCC2)c1
349535508	ZINC000621497799	ref	6.29	-9.77	0	274.355	3.3	2	1	4	C[C@@H]1CCC[C@@H](NC(=O)NCC[C@H]2CC2(F)F)CC1
178305010	ZINC000237282674	mid	3.85	-42.28	1	361.486	1.717	2	4	9	COc1cccc([C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)N2CCCC2)c1
178305012	ZINC000237282674	high	2.42	-12.17	0	361.486	1.717	2	5	9	COc1cccc([C@@H](CNC(=O)CNC[C@@H]2CCCO2)N2CCCC2)c1
178305015	ZINC000237270132	ref	5.61	-51.81	1	352.435	1.631	1	4	5	C[NH2+]C[C@@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C1
214189022	ZINC000337631651	high	2.13	-9.4	0	264.316	0.947	1	3	5	CCN(CC)CC(=O)N1CCC(O)(C(F)F)CC1
295666476	ZINC000370909015	ref	8.54	-21.39	0	323.466	2.349	1	5	2	CS[C@H]1CCCCN(C(=O)N[C@@H]2CCCn3c(C)nnc32)C1
178305018	ZINC000237277902	ref	8.48	-54.95	1	358.368	1.37	1	5	6	C[NH2+]CCN(C)C(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C
178305022	ZINC000237279985	ref	9.86	-59.57	-1	364.417	1.93	0	4	7	CN(CCCC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
178305026	ZINC000237274359	ref	6.31	-59.91	1	361.486	1.923	2	3	8	COc1ccc(CN2C[C@@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)CC2=O)cc1
178305031	ZINC000237277292	ref	6.33	-60.75	1	368.441	1.08	1	5	4	CN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)[C@@H]1CCN(c2ccccc2)C1=O
295666478	ZINC000408210892	ref	4.2	-17.84	0	320.48	1.491	1	4	2	CS[C@H]1CCCCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1
178305038	ZINC000237276741	ref	2.0	-51.25	1	364.471	1.966	1	6	5	COCc1nc(OC)c2c(C)c(C(=O)N3CCC[C@@H](C[NH3+])C3)sc2n1
178305042	ZINC000237266459	ref	2.67	-47.72	1	350.459	1.879	3	4	8	COc1ccc(OC)c([C@@H](O)CNC(=O)C[C@H](C)C2CC[NH2+]CC2)c1
185089667	ZINC000096075220	ref	6.23	-38.69	1	292.379	1.997	1	3	4	COCC[N@@H+]1CCCC12CCN(C(=O)c1ccco1)CC2
342597491	ZINC000590811944	ref	4.95	-41.38	1	276.38	1.924	2	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2O)C1
214189032	ZINC000337632398	ref	5.28	-15.75	0	296.326	3.327	1	4	4	COc1ccc2occ(C(=O)N[C@@H](C)c3cccnc3)c2c1
349535510	ZINC000621497107	ref	7.81	-9.18	0	294.439	3.022	1	2	5	CC(C)C[C@H]1C[C@@H](NC(=O)N2CC(CC3CC3)C2)CCO1
214189034	ZINC000337628549	ref	4.29	-13.65	0	285.332	2.285	1	6	3	Cc1ncsc1C(=O)Nc1cnccc1-n1cccn1
214189027	ZINC000053570443	ref	5.32	-39.35	-1	346.437	3.578	2	5	3	CCc1nc(NC(=O)c2ccc3c(=O)[nH]c(=S)[n-]c3c2)sc1C
365620480	ZINC000576530884	mid	3.63	-34.46	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H](O)C2(C)C)C1
365620485	ZINC000576530884	mid	1.24	-7.71	0	240.347	0.604	2	3	3	C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](O)C2(C)C)C1
365620492	ZINC000576529607	ref	5.7	-8.0	0	248.286	0.781	1	6	4	COC(=O)[C@@H](C)CN(C)c1ccc(C#N)c(N)n1
365620497	ZINC000576531250	ref	1.38	-18.53	0	226.232	-0.961	1	4	2	CN1C(=O)C[C@@H](NC(=O)[C@H]2CCCO2)C1=O
365620503	ZINC000576529801	ref	5.39	-34.95	1	217.378	1.832	2	2	5	C[N@@H+]1CC[C@H](CSCCC(C)(C)O)C1
342081535	ZINC000625321708	ref	-0.39	-7.14	0	270.398	1.768	3	5	6	Cc1nc([C@H](C)NC[C@@H](O)CC2(O)CCC2)cs1
365620510	ZINC000576529801	mid	5.41	-35.08	1	217.378	1.832	2	2	5	C[N@H+]1CC[C@H](CSCCC(C)(C)O)C1
342081536	ZINC000625321708	mid	0.86	-35.86	1	270.398	1.768	3	4	6	Cc1nc([C@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)cs1
365620515	ZINC000576529261	ref	3.34	-14.28	0	238.287	0.462	1	3	4	C=C(C)C[C@H](C)C(=O)N[C@@H]1CC(=O)N(C)C1=O
365620517	ZINC000576531343	ref	3.81	-35.89	1	240.347	0.7	2	2	4	CC1C[NH+]([C@@H](C)C(=O)N2CCC[C@@H]2CCO)C1
365620519	ZINC000576531343	mid	0.82	-8.68	0	240.347	0.7	1	3	4	CC1CN([C@@H](C)C(=O)N2CCC[C@@H]2CCO)C1
136229399	ZINC000106883832	ref	0.5	-18.65	0	241.291	-0.281	2	4	5	C=CCNC(=O)NC(=O)CN(C)[C@@H]1CCOC1
185089668	ZINC000096075220	mid	5.97	-39.14	1	292.379	1.997	1	3	4	COCC[N@H+]1CCCC12CCN(C(=O)c1ccco1)CC2
365620520	ZINC000576530127	ref	6.2	-7.43	0	242.363	2.411	1	2	10	C=CCCCCCNC(=O)N(CC)CCOC
346818882	ZINC000611565898	low	6.22	-37.91	1	293.367	1.283	2	3	6	CCOC(=O)CCCNC(=O)[C@H]1CCc2[nH+]c(C)[nH]c2C1
365620531	ZINC000576530641	ref	3.79	-7.52	0	240.391	2.125	1	2	5	CC1CN([C@H](C)C(=O)NCC(C)(C)C(C)C)C1
136229400	ZINC000106883832	mid	2.68	-50.38	1	241.291	-0.281	3	3	5	C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCOC1
365620538	ZINC000576530641	mid	6.83	-34.14	1	240.391	2.125	2	1	5	CC1C[NH+]([C@H](C)C(=O)NCC(C)(C)C(C)C)C1
365620546	ZINC000576530436	ref	4.08	-13.68	0	236.315	0.922	1	2	2	CC1=C[C@H](C)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)C1
342081537	ZINC000625320636	ref	0.71	-39.51	1	270.398	1.768	3	4	6	Cc1csc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)n1
323004198	ZINC000566508282	high	6.53	-5.38	0	240.391	2.41	1	2	7	CC[C@@H](C)[C@@H](C)N(C(=O)CNC(C)C)C1CC1
365620556	ZINC000576530775	ref	2.47	-11.44	0	226.276	0.442	1	3	2	NC(=O)[C@@H]1CC[C@H]1C(=O)N1CCCCCO1
365620565	ZINC000576530348	ref	4.19	-13.68	0	220.28	0.408	2	5	5	Cc1nc(CNCCn2cncn2)[nH]c1C
365620574	ZINC000576530348	mid	5.54	-52.0	1	220.28	0.408	2	4	5	Cc1nc(C[NH2+]CCn2cncn2)[nH]c1C
349535509	ZINC000618815275	ref	5.16	-11.81	0	288.336	1.092	0	7	3	CN(Cc1cn(C)nn1)C(=O)c1ncnc2sccc12
342081538	ZINC000625320636	mid	-0.51	-6.7	0	270.398	1.768	3	5	6	Cc1csc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)n1
214190481	ZINC000293665685	ref	2.78	-16.99	0	371.459	0.878	2	6	7	CC[C@H](C)CONC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1
342081539	ZINC000625322101	ref	-1.01	-5.57	0	271.744	1.629	2	4	4	CN(Cc1cc(O)ccc1Cl)[C@@]1(CO)CCOC1
199273136	ZINC000181266194	ref	1.47	-13.84	0	324.406	1.125	1	6	8	CCOc1ccc(S(=O)(=O)NCCCc2cnn(C)c2)cn1
349535511	ZINC000618814801	ref	5.87	-23.65	0	276.365	1.809	0	5	4	CSc1ccccc1C(=O)N(C)Cc1cn(C)nn1
222609042	ZINC000125795047	ref	4.29	-26.04	0	347.4	2.263	1	7	7	CCOc1ccccc1C[S@@](=O)[C@H](C)c1nc(-c2nc[nH]n2)no1
342081540	ZINC000625322101	low	1.12	-33.18	1	271.744	1.629	3	3	4	C[N@H+](Cc1cc(O)ccc1Cl)[C@@]1(CO)CCOC1
342081541	ZINC000625322101	low	0.97	-35.18	1	271.744	1.629	3	3	4	C[N@@H+](Cc1cc(O)ccc1Cl)[C@@]1(CO)CCOC1
342081542	ZINC000625322101	high	-0.65	-41.24	-1	271.744	1.629	1	4	4	CN(Cc1cc([O-])ccc1Cl)[C@@]1(CO)CCOC1
342081543	ZINC000625321945	ref	0.9	-11.58	0	254.334	1.191	2	5	5	Cc1noc([C@H](C)NCC(=O)NCC(C)(C)C)n1
342081544	ZINC000625321945	low	2.11	-48.94	1	254.334	1.191	2	4	5	Cc1noc([C@H](C)[NH2+]CC(=O)NCC(C)(C)C)n1
222609051	ZINC000125794139	ref	6.62	-17.6	0	335.389	1.936	0	7	4	CN(Cc1nc2c(s1)CCCC2)C(=O)c1c([N+](=O)[O-])cnn1C
342081545	ZINC000625321540	ref	1.91	-38.88	1	253.342	1.905	3	3	6	Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)o1
342081546	ZINC000625321540	high	0.66	-7.14	0	253.342	1.905	3	4	6	Cc1ccc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)o1
342081547	ZINC000625321830	ref	7.39	-42.18	1	268.401	1.814	2	2	7	C=CC[NH+]1CCC(NC(=O)[C@@H](OCC)C(C)C)CC1
342081548	ZINC000625321830	high	5.18	-8.53	0	268.401	1.814	1	3	7	C=CCN1CCC(NC(=O)[C@@H](OCC)C(C)C)CC1
342081549	ZINC000625321168	ref	0.97	-34.31	1	270.398	1.85	3	4	7	CC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1nccs1
342081550	ZINC000625321168	mid	-0.56	-6.81	0	270.398	1.85	3	5	7	CC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1nccs1
342081551	ZINC000625321512	ref	4.41	-49.5	1	290.367	1.046	3	5	6	C[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1nnc2ccccn12
342081552	ZINC000625321512	mid	3.25	-17.2	0	290.367	1.046	3	6	6	C[C@@H](NC[C@H](O)CC1(O)CCC1)c1nnc2ccccn12
342081553	ZINC000625321596	ref	8.14	-38.39	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)C1CC1
299072327	ZINC000358088773	ref	3.79	-12.3	0	309.41	1.792	2	3	5	CN(C(=O)CCC[C@]1(C)NC(=O)NC1=O)[C@H]1CCC(C)(C)C1
299072329	ZINC000358088119	ref	3.19	-44.4	1	301.456	1.05	4	3	6	CSC[C@](C)(O)CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1
365620498	ZINC000637717154	mid	3.51	-44.28	1	291.395	1.249	4	2	5	Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H](C)O)C2)cc1
365620502	ZINC000637717154	high	0.96	-9.96	0	291.395	1.249	3	3	5	Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](C)O)C2)cc1
365620509	ZINC000274309553	ref	3.94	-16.66	0	253.277	1.91	2	3	2	C[C@@H]1C[C@@H](NC(=O)Nc2cccc(F)n2)CCO1
365620513	ZINC000637717180	ref	5.33	-45.53	1	291.395	1.203	3	2	5	Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N(C)CCO)C2)cc1
365620532	ZINC000637717180	mid	5.16	-44.48	1	291.395	1.203	3	2	5	Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N(C)CCO)C2)cc1
342081554	ZINC000625321596	mid	8.9	-37.84	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)C1CC1
398245948	ZINC000649444104	ref	6.03	-11.81	0	242.278	2.361	0	4	1	Cc1c(-c2ccc3c(c2)C(=O)CCO3)cnn1C
342081555	ZINC000625321596	high	5.67	-8.97	0	280.412	1.887	0	3	5	CCO[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C)C1CC1
365620541	ZINC000637717180	high	2.63	-8.87	0	291.395	1.203	2	3	5	Cc1ccc(CN2CC[C@@H](NC(=O)N(C)CCO)C2)cc1
197595632	ZINC000162845794	ref	2.83	-18.13	0	308.357	1.211	3	2	4	NC(=O)NC1CCN(C(=O)NCCc2cccc(F)c2)CC1
365620547	ZINC000274312788	ref	2.35	-12.16	0	278.234	1.565	2	4	5	C[C@@H](COCC(F)(F)F)NC(=O)Nc1cncnc1
365620558	ZINC000274308285	ref	5.59	-44.52	1	263.345	1.423	2	3	2	C[C@@H]1C[C@H](N(C)C(=O)Nc2cncnc2)CC[N@@H+]1C
342081556	ZINC000625321969	ref	2.45	-13.27	0	265.313	1.693	1	5	5	CCC(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1
342081557	ZINC000625321785	ref	4.47	-34.32	1	257.374	1.729	1	3	7	CC[C@@H]([NH2+]CCOC1CCOCC1)[C@H]1CCCO1
342081558	ZINC000625320871	ref	4.21	-43.63	1	264.329	1.236	1	5	7	COC[C@H]([NH2+]CCc1cn(C)nn1)c1ccc(C)o1
342081559	ZINC000625320871	mid	2.9	-12.92	0	264.329	1.236	1	6	7	COC[C@H](NCCc1cn(C)nn1)c1ccc(C)o1
342081560	ZINC000625322064	ref	1.66	-11.07	0	294.395	1.48	3	4	7	COc1cccc([C@H](CO)NCC(=O)NCC(C)(C)C)c1
342081561	ZINC000625322064	mid	2.86	-44.38	1	294.395	1.48	3	3	7	COc1cccc([C@H](CO)[NH2+]CC(=O)NCC(C)(C)C)c1
342081562	ZINC000625321594	ref	9.27	-37.32	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)C1CC1
342081563	ZINC000625321594	mid	8.53	-37.72	1	280.412	1.887	1	2	5	CCO[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)C1CC1
178305033	ZINC000040229457	low	5.33	-34.45	1	234.299	1.662	1	3	5	Cc1cc2[nH+]cn(CCOCCO)c2cc1C
178305036	ZINC000044184024	ref	7.34	-10.63	0	246.354	3.06	1	3	2	Cc1cc2ncn(C[C@@H](O)C(C)(C)C)c2cc1C
282123470	ZINC000516582854	low	2.14	-41.84	1	270.373	0.327	2	3	4	CCC(CC)(CO)C(=O)N1C[C@@H]2OCC[N@@H+](C)[C@@H]2C1
178305039	ZINC000044184024	low	7.82	-32.58	1	246.354	3.06	1	2	2	Cc1cc2[nH+]cn(C[C@@H](O)C(C)(C)C)c2cc1C
178305041	ZINC000000348759	ref	10.21	-11.01	0	249.317	3.535	0	3	2	Cc1cc2ncn(/N=C/c3ccccc3)c2cc1C
178305044	ZINC000037694323	ref	5.4	-11.57	0	204.273	2.034	1	3	2	Cc1cc2ncn(C[C@H](C)O)c2cc1C
343994261	ZINC000599271860	ref	5.35	-14.44	0	298.383	1.633	0	4	1	COC(=O)[C@H]1CCCCCN1C(=O)N1C[C@H](C)O[C@H](C)C1
178305047	ZINC000037694323	low	5.87	-28.34	1	204.273	2.034	1	2	2	Cc1cc2[nH+]cn(C[C@H](C)O)c2cc1C
342081564	ZINC000625321594	high	7.26	-11.41	0	280.412	1.887	0	3	5	CCO[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCCN1C)C1CC1
214189028	ZINC000293628882	ref	4.86	-14.15	0	370.413	0.815	2	7	2	Cc1ccc(-n2nccc2NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)nn1
178305051	ZINC000065500260	ref	9.03	-44.72	1	223.279	3.037	0	2	1	Cc1cc2ncn(-c3cc[nH+]cc3)c2cc1C
178305056	ZINC000065500260	mid	8.57	-8.62	0	223.279	3.037	0	3	1	Cc1cc2ncn(-c3ccncc3)c2cc1C
178305060	ZINC000001648757	ref	4.03	-9.88	0	217.272	2.357	0	4	1	Cc1cc2nn([C@H]3CCCO3)nc2cc1C
219048722	ZINC000286550657	ref	6.81	-9.34	0	306.406	2.421	2	4	7	COC(=O)C(C)(C)CCNC(=O)CNc1c(C)cccc1C
178305067	ZINC000000393641	ref	8.13	-47.63	-1	204.229	1.738	0	4	2	Cc1cc2ncn(CC(=O)[O-])c2cc1C
178305071	ZINC000000393641	low	8.61	-40.28	0	204.229	1.738	0	3	2	Cc1cc2[nH+]cn(CC(=O)[O-])c2cc1C
178305076	ZINC000135588312	ref	9.22	-15.71	0	241.298	1.83	0	5	2	Cc1cc2ncn(Cc3ncnn3C)c2cc1C
178305082	ZINC000135588312	low	9.7	-43.83	1	241.298	1.83	0	4	2	Cc1cc2[nH+]cn(Cc3ncnn3C)c2cc1C
219048725	ZINC000286548725	ref	5.46	-15.48	0	319.311	2.752	2	3	5	CC(C)(CNC(=O)c1c[nH]c(C#N)c1)Oc1cc(F)cc(F)c1
219048727	ZINC000286549093	ref	8.52	-12.29	0	311.328	2.731	1	3	5	CC[C@H](NC(=O)[C@H]1CC[C@@H]1C(=O)OC)c1ccc(F)cc1F
219048730	ZINC000286549176	ref	6.12	-20.03	0	317.324	1.623	2	5	4	Cc1nnc([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)[nH]1
219048732	ZINC000286549176	mid	5.63	-20.61	0	317.324	1.623	2	5	4	Cc1nc([C@@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n[nH]1
282123472	ZINC000344148808	ref	5.89	-39.86	1	297.321	1.253	1	2	4	CN(CCC(F)(F)F)C(=O)N1CCO[C@H](C[NH+](C)C)C1
214189030	ZINC000053570443	mid	5.76	-14.02	0	346.437	3.578	3	5	3	CCc1nc(NC(=O)c2ccc3c(=O)[nH]c(=S)[nH]c3c2)sc1C
365620501	ZINC000336540986	ref	5.32	-19.99	0	271.426	2.326	0	2	1	C[C@H]1CCN(C(=O)C2(C)CCCCC2)CC[S@@]1=O
365620508	ZINC000336541265	ref	2.83	-13.95	0	252.314	2.035	2	4	3	CCc1noc(C)c1NC(=O)[C@H]1CCC[C@@H](O)C1
365620525	ZINC000336541763	ref	5.11	-13.33	0	255.358	2.026	0	2	2	C[C@H]1CN(Cc2ccccc2F)CC[S@](=O)C1
197595636	ZINC000290103226	ref	9.1	-16.28	0	288.351	1.665	0	5	6	COCCN(C(=O)c1ncn(C)n1)[C@@H](C)c1ccccc1
282123476	ZINC000344148808	high	3.34	-10.94	0	297.321	1.253	0	3	4	CN(C)C[C@@H]1CN(C(=O)N(C)CCC(F)(F)F)CCO1
398245949	ZINC000650859539	ref	7.4	-86.1	2	298.475	1.605	4	1	8	CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)C1
365620533	ZINC000336541763	low	6.69	-40.88	1	255.358	2.026	1	1	2	C[C@H]1C[N@H+](Cc2ccccc2F)CC[S@](=O)C1
365620542	ZINC000336541763	low	6.66	-53.1	1	255.358	2.026	1	1	2	C[C@H]1C[N@@H+](Cc2ccccc2F)CC[S@](=O)C1
365620548	ZINC000336541684	ref	7.65	-21.64	0	260.268	2.254	0	3	2	Cc1cc(CC(=O)N2CCc3cccc(F)c32)no1
365620564	ZINC000336541062	ref	6.29	-10.74	0	292.289	2.034	0	4	2	O=C(c1ncc(F)cc1F)N1CCC[C@@H](n2cccn2)C1
214189035	ZINC000053571929	ref	5.99	-15.78	0	334.782	2.986	1	4	3	O=C(c1ccccc1F)N1CCC(Nc2cncc(Cl)n2)CC1
365620577	ZINC000336541214	ref	4.18	-9.88	0	256.305	2.227	2	2	1	Cc1cc[nH]c1C(=O)N1CCc2ccc(O)cc2C1
342081565	ZINC000625321706	ref	-0.41	-7.1	0	270.398	1.768	3	5	6	Cc1nc([C@@H](C)NC[C@@H](O)CC2(O)CCC2)cs1
214189039	ZINC000053556067	ref	10.08	-13.29	0	341.423	3.529	0	3	6	CCSCCC(=O)N1CCC(C(=O)c2cc(F)ccc2F)CC1
259308643	ZINC000390904953	ref	6.21	-50.52	1	243.301	2.254	1	2	4	Cc1cc(C[NH2+]C[C@H]2CCCC2(F)F)n(C)n1
342081566	ZINC000625321706	mid	0.86	-35.96	1	270.398	1.768	3	4	6	Cc1nc([C@@H](C)[NH2+]C[C@@H](O)CC2(O)CCC2)cs1
342081567	ZINC000625320904	ref	3.97	-43.18	1	298.349	1.784	2	2	9	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@H](CCO)C(C)C
342081568	ZINC000625320904	high	3.18	-10.31	0	298.349	1.784	2	3	9	CCCN(CC(F)(F)F)C(=O)CN[C@H](CCO)C(C)C
342081569	ZINC000625320913	ref	0.45	-43.47	1	292.383	1.399	2	4	7	COc1cncc(C[NH2+][C@@H](CC(N)=O)C2CCCCC2)n1
342081570	ZINC000625320913	high	-0.33	-11.38	0	292.383	1.399	2	5	7	COc1cncc(CN[C@@H](CC(N)=O)C2CCCCC2)n1
214189031	ZINC000278493804	ref	6.24	-27.01	0	318.398	1.465	0	4	2	C[C@@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCS(=O)(=O)C1
342081571	ZINC000625320906	ref	3.97	-42.33	1	298.349	1.784	2	2	9	CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@H](CCO)C(C)C
342081572	ZINC000625320906	high	3.03	-9.86	0	298.349	1.784	2	3	9	CCCN(CC(F)(F)F)C(=O)CN[C@@H](CCO)C(C)C
343994262	ZINC000129390329	ref	2.4	-46.9	1	234.299	0.844	2	2	3	CC[C@@H]([NH3+])C(=O)N[C@@H]1COc2ccccc2C1
361823638	ZINC000262802158	ref	2.92	-50.05	1	298.408	1.375	1	3	3	COc1ccc(S(=O)(=O)N2CC[NH2+][C@@H](C)[C@H]2C)c(C)c1
342081573	ZINC000625321163	ref	2.28	-34.35	1	270.398	1.85	3	4	7	CC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1nccs1
342081574	ZINC000625321163	mid	0.81	-6.68	0	270.398	1.85	3	5	7	CC[C@@H](NC[C@H](O)CC1(O)CCC1)c1nccs1
342081575	ZINC000625320960	ref	0.54	-9.09	0	277.324	1.864	1	6	7	COC[C@@H](NCc1cncc(OC)n1)c1ccc(C)o1
282123473	ZINC000271717874	ref	4.68	-17.1	0	323.393	2.754	3	4	8	CCC(CC)(CO)CNC(=O)N[C@@H](C)c1ccccc1[N+](=O)[O-]
282123478	ZINC000368356145	ref	0.5	-21.15	0	334.482	1.44	3	4	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCC[C@H]1S(C)(=O)=O
342081576	ZINC000625320960	low	1.73	-44.46	1	277.324	1.864	1	5	7	COC[C@@H]([NH2+]Cc1cncc(OC)n1)c1ccc(C)o1
342088450	ZINC000121584422	ref	7.95	-14.83	0	274.368	1.831	1	4	5	CCn1c(C)cc(C(=O)NCCc2cncn2C)c1C
342088451	ZINC000121584422	low	8.46	-38.23	1	274.368	1.831	1	3	5	CCn1c(C)cc(C(=O)NCCc2c[nH+]cn2C)c1C
342088452	ZINC000121515085	ref	6.53	-13.42	0	279.384	1.676	1	4	8	CCOCCC1(C(=O)NCCc2cncn2C)CCC1
342088453	ZINC000121515085	low	7.04	-38.22	1	279.384	1.676	1	3	8	CCOCCC1(C(=O)NCCc2c[nH+]cn2C)CCC1
342088454	ZINC000121472715	ref	6.72	-15.07	0	279.384	1.674	1	4	6	CCC[C@H]1C[C@@H](C(=O)NCCc2cncn2C)CCO1
361823651	ZINC000262802158	mid	2.27	-10.2	0	298.408	1.375	1	4	3	COc1ccc(S(=O)(=O)N2CCN[C@@H](C)[C@H]2C)c(C)c1
342088455	ZINC000121472715	low	7.23	-40.05	1	279.384	1.674	1	3	6	CCC[C@H]1C[C@@H](C(=O)NCCc2c[nH+]cn2C)CCO1
342088456	ZINC000600314932	ref	6.6	-10.92	0	297.33	1.913	1	5	5	CC(C)(C)OC(=O)C1(C(=O)Nc2cnn(CCF)c2)CC1
342088457	ZINC000121471867	ref	4.67	-51.73	1	288.351	1.511	3	3	4	C[C@]1(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCC[NH2+]1
342088458	ZINC000121371890	ref	0.88	-17.42	0	283.353	1.089	2	4	3	Cc1cnccc1NC(=O)NC[C@H]1CCCS1(=O)=O
342088459	ZINC000121371890	low	1.34	-41.05	1	283.353	1.089	2	3	3	Cc1c[nH+]ccc1NC(=O)NC[C@H]1CCCS1(=O)=O
349535512	ZINC000621495479	ref	5.09	-16.56	0	298.346	3.143	1	4	4	CCC1CN(C(=O)Nc2ccc(Oc3cccnn3)cc2)C1
349535513	ZINC000621497802	ref	6.24	-9.53	0	274.355	3.3	2	1	4	C[C@@H]1CCC[C@H](NC(=O)NCC[C@H]2CC2(F)F)CC1
342081577	ZINC000625328168	ref	2.69	-10.12	0	263.403	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)[C@H](C)CCOC
342081578	ZINC000625328689	ref	4.15	-13.55	0	296.411	1.219	1	4	4	CC(C)(C)CNC(=O)CN1CCOC[C@@H]1[C@@H]1CCCC1=O
214189033	ZINC000293630804	ref	2.22	-27.29	0	366.439	0.502	1	5	4	CS(=O)(=O)C1(C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CCOCC1
342081579	ZINC000625328276	ref	5.48	-37.87	1	255.358	1.293	1	3	5	CCO[C@@H](C[N@@H+]1CCO[C@]2(CCOC2)C1)C1CC1
349535516	ZINC000621495878	ref	7.49	-9.56	0	272.339	3.006	1	1	3	C[C@@H]1CC2(CCC2)CN1C(=O)NCC[C@@H]1CC1(F)F
365620526	ZINC000617369338	ref	1.71	-8.46	0	298.339	0.992	1	6	7	COCc1cc(C(=O)N[C@H](COC)C2CCOCC2)no1
214189038	ZINC000293628984	ref	4.19	-15.57	0	367.413	0.997	2	7	6	Cc1c(NC(=O)C(=O)NCCCc2cnn(C)n2)cnn1-c1ccccc1
214189043	ZINC000293619300	ref	2.76	-11.48	0	363.414	0.608	2	5	8	CC(=O)N(c1ccc(NC(=O)C(=O)N(C)CCOCCO)cc1)C1CC1
190494230	ZINC000269441914	ref	8.22	-7.15	0	267.329	2.407	0	5	7	COCCN(CC(C)C)c1ccc([N+](=O)[O-])c(C)n1
342081580	ZINC000625328276	mid	5.33	-37.87	1	255.358	1.293	1	3	5	CCO[C@@H](C[N@H+]1CCO[C@]2(CCOC2)C1)C1CC1
342081581	ZINC000625328276	high	3.12	-3.11	0	255.358	1.293	0	4	5	CCO[C@@H](CN1CCO[C@]2(CCOC2)C1)C1CC1
342081582	ZINC000625328427	ref	-1.07	-6.12	0	271.382	1.037	4	4	7	OC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccsc1
342081583	ZINC000625328427	mid	-1.07	-6.12	0	271.382	1.037	4	5	7	OC[C@H](NC[C@H](O)CC1(O)CCC1)c1ccsc1
342081584	ZINC000625328512	ref	5.97	-42.42	1	252.362	1.106	1	4	5	COC[C@@H]1CCCC[N@H+](CCc2cn(C)nn2)C1
342081585	ZINC000625328512	mid	5.97	-42.42	1	252.362	1.106	1	4	5	COC[C@@H]1CCCC[N@@H+](CCc2cn(C)nn2)C1
342081586	ZINC000625328270	ref	5.43	-40.02	1	255.358	1.293	1	3	5	CCO[C@@H](C[N@@H+]1CCO[C@@]2(CCOC2)C1)C1CC1
342081587	ZINC000625328270	mid	5.35	-38.52	1	255.358	1.293	1	3	5	CCO[C@@H](C[N@H+]1CCO[C@@]2(CCOC2)C1)C1CC1
342081588	ZINC000625328270	high	3.11	-3.95	0	255.358	1.293	0	4	5	CCO[C@@H](CN1CCO[C@@]2(CCOC2)C1)C1CC1
342081589	ZINC000623714687	ref	2.96	-13.23	0	267.373	1.558	3	2	7	CNC(=O)CCCNC(=O)NCC[C@H]1CC=CCC1
342081590	ZINC000625328624	ref	2.02	-9.19	0	257.359	1.301	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1ccnn1C
342081591	ZINC000625328273	ref	5.13	-39.1	1	255.358	1.293	1	3	5	CCO[C@H](C[N@@H+]1CCO[C@@]2(CCOC2)C1)C1CC1
343994263	ZINC000139352381	ref	6.89	-4.74	0	164.154	3.118	0	0	0	Fc1cc2ccccc2cc1F
197595649	ZINC000162836331	ref	6.3	-18.56	0	315.377	2.022	1	6	6	COCCC1(C(=O)Nc2cncc(-c3nncn3C)c2)CCC1
346818883	ZINC000601317002	mid	6.39	-47.31	1	284.363	2.42	1	4	4	C[C@H](c1cc2cnccc2o1)[NH+]1CCN(CCC#N)CC1
365620527	ZINC000625023696	ref	4.45	-15.99	0	306.309	2.117	1	3	2	CNC(=O)[C@@H]1CCCN1C(=O)c1csc(C(F)(F)F)c1
282123474	ZINC000171342519	ref	7.27	-19.95	0	341.802	2.533	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)cc3cccnc13)CC2
343994265	ZINC000139368417	ref	4.12	-10.64	0	169.183	2.981	0	2	0	c1ccc2c(c1)cnc1occc12
346818889	ZINC000601316501	ref	8.82	-46.38	1	283.419	2.465	1	2	3	N#CCCN1CC[NH+](C2CCc3ccccc3CC2)CC1
365620540	ZINC000625023936	ref	7.75	-48.38	1	309.454	2.023	1	2	2	C[C@H]1CN(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1
342081592	ZINC000625328273	mid	5.22	-38.76	1	255.358	1.293	1	3	5	CCO[C@H](C[N@H+]1CCO[C@@]2(CCOC2)C1)C1CC1
190494234	ZINC000269443468	ref	4.35	-20.62	0	281.308	1.23	2	5	8	CCCOC(=O)CCNC(=O)COc1ccccc1O
197595657	ZINC000162845803	ref	5.53	-19.16	0	307.369	1.937	2	2	5	CCCC[C@H](NC(N)=O)C(=O)N1CCc2c(F)cccc2C1
346818892	ZINC000601316501	high	6.47	-7.21	0	283.419	2.465	0	3	3	N#CCCN1CCN(C2CCc3ccccc3CC2)CC1
190494235	ZINC000269439847	ref	3.51	-12.34	0	270.76	2.291	2	2	3	CN(C(=O)c1cc(Cl)c[nH]1)C1CCC(CO)CC1
214189036	ZINC000278493874	ref	1.61	-10.16	0	324.15	3.486	1	5	5	FC(F)c1nnc(NCCc2ccc(Br)s2)o1
282123475	ZINC000171455603	ref	5.83	-22.28	0	314.324	1.347	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3[nH]cnc13)CC2
346818897	ZINC000601316999	ref	8.86	-46.3	1	283.419	2.465	1	2	3	N#CCCN1CC[NH+]([C@H]2CCCc3ccccc3C2)CC1
282123477	ZINC000171455603	mid	5.83	-17.41	0	314.324	1.347	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3nc[nH]c13)CC2
282123480	ZINC000135455926	ref	7.04	-13.52	0	341.346	2.125	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(-c3ccc(F)cc3)on1)CC2
342081593	ZINC000625328273	high	3.77	-4.07	0	255.358	1.293	0	4	5	CCO[C@H](CN1CCO[C@@]2(CCOC2)C1)C1CC1
342081594	ZINC000625328395	ref	-2.02	-11.03	0	263.297	1.291	2	6	7	COc1cncc(CN[C@@H](CCO)c2ccco2)n1
342081595	ZINC000625328395	low	-0.79	-45.73	1	263.297	1.291	2	5	7	COc1cncc(C[NH2+][C@@H](CCO)c2ccco2)n1
342081596	ZINC000623714686	ref	2.96	-13.26	0	267.373	1.558	3	2	7	CNC(=O)CCCNC(=O)NCC[C@@H]1CC=CCC1
178305045	ZINC000237273054	ref	5.36	-48.17	1	351.516	1.81	1	4	7	COc1ccc(CN2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1
365620528	ZINC000641589665	ref	5.03	-14.56	0	288.347	1.596	0	5	1	O=C1CCc2ccc(N3CCO[C@@]4(CCCOC4)C3)nc21
178305048	ZINC000237273054	mid	7.5	-105.41	2	351.516	1.81	2	3	7	COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1
178305050	ZINC000237273054	mid	7.55	-110.19	2	351.516	1.81	2	3	7	COc1ccc(C[N@H+]2CCCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1
178305053	ZINC000237273054	high	5.04	-9.76	0	351.516	1.81	1	5	7	COc1ccc(CN2CCCN(C(=O)[C@@H](N)CCSC)CC2)cc1
178305055	ZINC000237274861	ref	3.08	-14.28	0	357.414	1.559	2	6	4	COc1cc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)ccc1N
365620539	ZINC000641589441	ref	4.78	-15.74	0	291.347	1.689	1	4	4	COc1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1OC(C)C
365620550	ZINC000641589584	ref	4.66	-15.63	0	297.358	1.602	1	4	2	Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1-c1cnn(C)c1
178305058	ZINC000237283077	ref	7.04	-50.06	1	363.487	1.408	2	6	9	CSCC[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1nnc2ccccn12
365620559	ZINC000641589716	ref	2.97	-11.33	0	272.226	1.307	1	3	1	O=C(c1cc(C(F)(F)F)ccn1)N1C[C@@H]2C[C@]2(O)C1
365620571	ZINC000641589343	ref	3.14	-12.59	0	272.348	1.494	1	3	2	O=C(c1cccc(N2CCCC2)c1)N1C[C@@H]2C[C@]2(O)C1
365620579	ZINC000641589279	ref	2.44	-9.08	0	266.728	1.588	2	3	2	CNc1cc(Cl)ccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
185091459	ZINC000096081181	mid	7.29	-47.61	1	259.353	1.585	1	2	3	CCN1C(=O)C[C@@H]2[C@H]1CC[N@H+]2Cc1cccc(C)n1
178305062	ZINC000237283077	high	5.7	-14.21	0	363.487	1.408	2	7	9	CSCC[C@@H](NC(=O)CNC[C@H]1CCCO1)c1nnc2ccccn12
197595654	ZINC000290101119	ref	2.53	-8.96	0	290.697	2.946	3	2	5	C=C[C@H](CO)NC(=O)Nc1cc(C(F)F)ccc1Cl
365620585	ZINC000641589653	ref	4.11	-13.94	0	298.346	1.091	1	5	2	Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)n1-c1cnccn1
259308646	ZINC000390904953	high	4.87	-6.62	0	243.301	2.254	1	3	4	Cc1cc(CNC[C@H]2CCCC2(F)F)n(C)n1
349535514	ZINC000618814646	ref	5.83	-10.4	0	264.354	1.468	0	5	5	CN(Cc1cn(C)nn1)C(=O)CCc1cccs1
178305527	ZINC000019867819	low	11.19	-38.59	1	247.301	3.514	0	2	1	Cc1cc2[nH+]cn(-c3ccc(C#N)cc3)c2cc1C
192038049	ZINC000418463550	ref	4.26	-52.82	1	239.363	1.696	2	1	2	C[C@H]1CC[C@@H](C)N1C(=O)N[C@H]1CCC[C@@H]1C[NH3+]
365620594	ZINC000641589282	ref	2.47	-9.12	0	266.728	1.588	2	3	2	CNc1cc(Cl)ccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
214189037	ZINC000337628549	mid	4.74	-39.56	1	285.332	2.285	1	5	3	Cc1ncsc1C(=O)Nc1c[nH+]ccc1-n1cccn1
343994266	ZINC000599272016	ref	5.13	-9.55	0	293.374	1.979	0	5	3	Cc1ccc(CN2CCN(c3cnccn3)CC2)cc1C#N
342081597	ZINC000625328720	ref	2.87	-9.45	0	267.354	1.108	0	6	3	O=C1CCC[C@@H]1[C@@H]1COCCN1Cc1cnns1
398245950	ZINC000650439020	ref	1.12	-13.96	0	241.316	1.306	3	4	4	CSc1cccnc1NC(=O)NC[C@H](C)O
214189041	ZINC000337630806	ref	1.24	-15.46	0	276.283	0.932	2	3	4	O=C1CC[C@H](C(=O)N[C@H]2CCCC[C@@H]2OC(F)F)N1
398245953	ZINC000650439478	ref	3.21	-11.09	0	246.261	1.463	1	4	6	CCCn1cc(C(=O)NCCC(C)(F)F)nn1
342081598	ZINC000625322258	ref	2.92	-5.66	0	251.33	1.994	1	5	5	C[C@@H](NCc1noc(C2CCC2)n1)[C@H]1CCCO1
214189044	ZINC000337629925	ref	4.92	-13.79	0	297.358	2.435	1	4	3	Cc1cc(C(=O)N[C@@H]2CCCO[C@H]2c2ccncc2)ccn1
214189047	ZINC000337632417	ref	4.47	-42.39	1	299.415	0.654	3	3	7	CCN(CCOCCO)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12
342081599	ZINC000625322258	low	3.81	-34.23	1	251.33	1.994	1	4	5	C[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H]1CCCO1
185091462	ZINC000096081181	high	4.96	-14.24	0	259.353	1.585	0	3	3	CCN1C(=O)C[C@@H]2[C@H]1CCN2Cc1cccc(C)n1
342081600	ZINC000625328719	ref	2.12	-40.46	-1	297.302	1.482	1	4	6	C=C(C)CS(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F
214189050	ZINC000337632417	mid	4.15	-44.59	1	299.415	0.654	3	3	7	CCN(CCOCCO)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12
282123481	ZINC000171328806	ref	6.59	-15.2	0	326.734	2.263	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)c(F)cc1Cl)CC2
199273138	ZINC000181265557	ref	7.5	-17.57	0	307.419	2.63	1	4	3	CC(C)(C)Sc1cc(C(=O)NN2CCCCC2=O)ccn1
214189055	ZINC000337629445	ref	1.91	-13.07	0	286.328	-0.269	2	5	3	COC(=O)[C@@H](O)C1CCN(C(=O)N[C@H]2CCOC2)CC1
342081601	ZINC000625328719	high	2.12	-40.46	-1	297.302	1.482	0	4	6	C=C(C)CS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F
342081602	ZINC000625328532	ref	2.29	-10.57	0	261.387	1.686	1	3	6	C=CC(C)(C)CCNS(=O)(=O)[C@H]1CCO[C@@H]1C
342081603	ZINC000625322423	ref	0.03	-8.48	0	273.336	1.617	2	5	6	COc1cncc(CN[C@@H](CO)c2ccccc2C)n1
342081604	ZINC000625322423	mid	1.0	-43.89	1	273.336	1.617	2	4	6	COc1cncc(C[NH2+][C@@H](CO)c2ccccc2C)n1
342081605	ZINC000625328440	ref	4.47	-10.44	0	264.251	1.648	1	3	4	CCN(C)C(=O)NC[C@H](n1cccn1)C(F)(F)F
342081606	ZINC000625328138	ref	2.67	-10.95	0	263.403	1.791	1	3	9	C=CC(C)(C)CCNS(=O)(=O)C[C@@H](C)COC
342081607	ZINC000625328638	ref	3.88	-46.58	1	284.157	1.022	1	3	3	CNC(=O)C1CN(Cc2ccncc2Br)C1
342081608	ZINC000625328638	low	3.88	-46.58	1	284.157	1.022	2	2	3	CNC(=O)C1C[NH+](Cc2ccncc2Br)C1
398245951	ZINC000650859539	mid	7.41	-85.98	2	298.475	1.605	4	1	8	CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CCC[NH+](C)C1
178305064	ZINC000237276097	ref	5.12	-51.35	1	352.822	1.223	2	3	7	C[NH2+]CCN(C)C(=O)CC[C@H]1NC(=O)N(c2ccc(Cl)cc2)C1=O
178305069	ZINC000237276188	ref	4.58	-56.07	1	363.487	1.285	2	4	10	COCC[NH2+]CCNC(=O)CCN1C(=S)N=NC1c1cccc(C)c1
178305073	ZINC000237276188	high	3.24	-17.12	0	363.487	1.285	2	5	10	COCCNCCNC(=O)CCN1C(=S)N=NC1c1cccc(C)c1
178305077	ZINC000237277861	ref	2.19	-48.86	1	364.471	1.884	2	6	6	COCc1nc(OC)c2c(C)c(C(=O)NC[C@H]3CCC[NH2+]C3)sc2n1
178305079	ZINC000237274580	ref	5.41	-64.88	1	355.442	1.688	2	4	5	C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1
178305083	ZINC000237274580	high	3.96	-19.81	0	355.442	1.688	2	5	5	CNCc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2cnn(C)c2)c1
178305085	ZINC000237266482	ref	7.0	-48.03	1	359.47	1.678	1	3	4	COc1cc(C(=O)N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)ccc1C
214189040	ZINC000278493232	ref	2.78	-47.25	1	309.406	2.113	2	4	8	COc1cc(C[NH2+][C@@]2(CCO)CCOC2)ccc1OC(C)C
178305090	ZINC000237280544	ref	6.74	-40.75	1	363.527	1.995	1	4	5	COc1cccc([C@@H](C)N2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)c1
178305092	ZINC000237280544	low	8.69	-98.19	2	363.527	1.995	2	3	5	COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)c1
178305095	ZINC000237280544	high	5.51	-8.8	0	363.527	1.995	1	5	5	COc1cccc([C@@H](C)N2CCN(C(=O)C[C@@H]3CSCCN3)CC2)c1
214189042	ZINC000278493232	high	2.09	-8.25	0	309.406	2.113	2	5	8	COc1cc(CN[C@@]2(CCO)CCOC2)ccc1OC(C)C
178305098	ZINC000237267206	ref	7.72	-50.12	1	358.402	1.556	1	6	5	C[NH2+]C[C@@H]1CCCN(C(=O)c2nnn(-c3cccc([N+](=O)[O-])c3)c2C)C1
214189046	ZINC000278493803	ref	6.1	-20.17	0	318.398	1.465	0	4	2	C[C@H]1CN(C(=O)/C=C/c2cccc(C#N)c2)CCS(=O)(=O)C1
214189049	ZINC000278493542	ref	4.18	-7.17	0	319.38	2.535	1	5	5	C[C@H](O)[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
214189052	ZINC000278493542	mid	5.14	-36.6	1	319.38	2.535	2	4	5	C[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1
346818886	ZINC000067763361	ref	7.89	-5.86	0	294.37	2.966	1	2	4	CCN(C(=O)C(=O)Nc1ccc(C)cc1F)[C@H](C)C(C)C
168366305	ZINC000307317962	ref	1.13	-47.68	1	156.229	0.248	2	1	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CC1
365620529	ZINC000354675890	ref	6.2	-35.34	1	295.427	1.234	2	2	4	C[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1
343994267	ZINC000129390329	high	2.11	-9.1	0	234.299	0.844	2	3	3	CC[C@@H](N)C(=O)N[C@@H]1COc2ccccc2C1
365620530	ZINC000354675890	high	4.66	-4.33	0	295.427	1.234	1	3	4	C[C@@H]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C1
365620543	ZINC000354679053	ref	2.49	-18.61	0	279.292	1.538	2	5	4	COC(=O)[C@H]1CC[C@H]1C(=O)Nc1cc(O)cc(OC)c1
365620555	ZINC000354678546	ref	4.85	-11.84	0	261.387	1.617	0	3	7	CCN(CCC1CC1)S(=O)(=O)C[C@H]1CCCO1
214189045	ZINC000053563142	ref	6.62	-17.57	0	343.456	2.487	2	7	5	Cc1cc(N)nc(SC[C@H](O)Cn2cnc3cc(C)c(C)cc32)n1
282123482	ZINC000133852631	ref	3.97	-15.7	0	322.453	2.465	3	4	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCC[C@@H]1n1cccn1
282123488	ZINC000492210455	ref	3.74	-14.31	0	349.427	2.394	2	5	8	CCC(CC)(CO)CNC(=O)/C=C\c1cc(OC)c2c(c1)OCCO2
282123491	ZINC000512823635	ref	3.9	-9.96	0	284.444	3.053	3	2	6	CCC(CC)(CO)CNC(=O)N[C@@H]1CCCCC1(C)C
365620567	ZINC000354675974	ref	5.46	-10.49	0	285.413	1.848	0	4	6	CCN(CCC1CC1)S(=O)(=O)c1c(C)nn(C)c1C
365620582	ZINC000354678266	ref	5.07	-5.55	0	297.395	1.631	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)[C@@H](C)O
365620600	ZINC000354676721	ref	3.06	-13.36	0	290.319	1.314	1	4	5	COC[C@H](C(N)=O)N(C)C(=O)c1oc2ccccc2c1C
214189051	ZINC000053564209	ref	5.33	-6.88	0	330.119	3.507	1	2	5	C[C@H](CNCC(F)(F)F)Oc1ccc(F)cc1Br
365620615	ZINC000354678264	ref	4.36	-5.7	0	297.395	1.631	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21)[C@H](C)O
342081609	ZINC000625328105	ref	2.59	-7.96	0	290.429	1.534	1	3	6	C=CC(C)(C)CCNS(=O)(=O)N1CCOC(C)(C)C1
342081610	ZINC000625328629	ref	4.92	-35.63	1	264.373	1.863	1	4	7	CN(CC[N@H+](C)C1CC1)Cc1noc(C2CCC2)n1
342081611	ZINC000625328629	mid	2.62	-5.23	0	264.373	1.863	1	4	7	CN(CC[N@@H+](C)C1CC1)Cc1noc(C2CCC2)n1
168364973	ZINC000075579860	ref	1.49	-54.95	1	190.246	1.208	2	1	2	C[C@@H]([NH3+])C[C@H]1NC(=O)c2ccccc21
342081612	ZINC000625328629	high	2.62	-5.23	0	264.373	1.863	0	5	7	CN(CCN(C)C1CC1)Cc1noc(C2CCC2)n1
342081613	ZINC000625328618	ref	3.05	-53.06	-1	257.359	1.301	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cn(C)cn1
342081614	ZINC000625328618	high	3.05	-53.06	-1	257.359	1.301	0	4	6	C=CC(C)(C)CC[N-]S(=O)(=O)c1cn(C)cn1
342081615	ZINC000625322227	ref	6.31	-41.32	1	296.802	1.844	2	3	4	C=C(C)C[NH+]1CCC(NC(=O)c2nn(C)cc2Cl)CC1
342081616	ZINC000625322227	high	3.89	-10.01	0	296.802	1.844	1	4	4	C=C(C)CN1CCC(NC(=O)c2nn(C)cc2Cl)CC1
342597492	ZINC000590811642	ref	5.76	-44.43	1	286.416	1.417	1	3	8	CCOCCO[C@H](C)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1
365620537	ZINC000617368098	ref	1.14	-14.88	0	284.356	0.213	2	4	5	COC[C@H](NC(=O)[C@@H]1CCCC(=O)N1)C1CCOCC1
365620552	ZINC000617370320	ref	2.24	-13.44	0	281.356	0.818	2	4	6	COC[C@@H](NC(=O)Cc1cc(C)[nH]n1)C1CCOCC1
342597493	ZINC000590811264	ref	8.6	-43.76	1	287.367	1.332	1	4	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cn3cccnc3n2)C1
214189048	ZINC000293627542	ref	4.33	-41.78	1	351.451	0.85	3	5	10	COCCn1cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cn1
342597494	ZINC000590810846	ref	3.45	-43.18	1	289.379	1.388	2	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cccc(C(N)=O)c2)C1
365620568	ZINC000617370320	mid	2.14	-12.97	0	281.356	0.818	2	4	6	COC[C@@H](NC(=O)Cc1cc(C)n[nH]1)C1CCOCC1
365620576	ZINC000617368940	ref	-0.52	-9.76	0	296.323	0.55	2	5	6	COC[C@H](NC(=O)c1ccc(C(N)=O)o1)C1CCOCC1
398245952	ZINC000650859539	mid	6.98	-86.66	2	298.475	1.605	4	1	8	CC(C)C[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@H+](C)C1
365620591	ZINC000617367980	ref	1.42	-10.37	0	280.324	0.959	2	5	5	COC[C@H](NC(=O)c1ncccc1O)C1CCOCC1
365620601	ZINC000617367980	mid	2.43	-52.09	-1	280.324	0.959	1	5	5	COC[C@H](NC(=O)c1ncccc1[O-])C1CCOCC1
365620608	ZINC000617368452	ref	2.6	-15.84	0	284.356	0.165	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CCOCC1
365620624	ZINC000617369691	ref	2.37	-11.28	0	279.34	0.956	1	5	5	COC[C@@H](NC(=O)c1ccnnc1C)C1CCOCC1
365620632	ZINC000617367468	ref	-0.02	-6.71	0	284.312	0.855	1	6	6	COC[C@@H](NC(=O)c1cc(OC)no1)C1CCOCC1
365620656	ZINC000617367706	ref	2.18	-17.94	0	272.345	0.07	2	4	7	CCNC(=O)CC(=O)N[C@@H](COC)C1CCOCC1
365620671	ZINC000617368622	ref	2.5	-9.27	0	296.371	0.859	1	6	7	CCCn1cc(C(=O)N[C@H](COC)C2CCOCC2)nn1
365620684	ZINC000617369410	ref	-0.89	-21.49	0	295.339	0.285	3	4	6	COC[C@@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1CCOCC1
342088460	ZINC000121584958	ref	2.13	-9.4	0	258.362	1.67	2	3	7	CCC(C)(C)NC(=O)NCCOC[C@H]1CCCO1
342088461	ZINC000621363522	ref	1.86	-45.27	1	280.368	1.357	2	4	7	CCOc1cncc(C[NH2+][C@@H](CO)[C@H]2CCCOC2)c1
342088462	ZINC000621363522	high	0.95	-7.14	0	280.368	1.357	2	5	7	CCOc1cncc(CN[C@@H](CO)[C@H]2CCCOC2)c1
342088463	ZINC000121472909	ref	4.72	-11.8	0	281.331	1.136	1	3	5	CN(C)C(=O)C(C)(C)NC(=O)CCc1cncc(F)c1
342088464	ZINC000121480759	ref	7.01	-15.72	0	283.331	1.555	1	4	4	Cn1cncc1CCNC(=O)C1=Cc2ccccc2OC1
365639394	ZINC000336555617	mid	5.94	-38.34	1	252.383	2.31	1	3	3	Cc1csc(C[N@H+]2CC[C@H]([C@H]3CCOC3)C2)n1
214189053	ZINC000293623429	ref	3.89	-20.55	0	360.414	0.434	2	4	8	C[C@@H](c1ccccc1)[C@H](NC(=O)CCCN1C(=O)CN(C)C1=O)C(N)=O
214189059	ZINC000293620511	ref	-0.14	-17.33	0	371.4	0.641	2	8	5	Cc1nnsc1CNC(=O)c1cc(S(N)(=O)=O)cc([N+](=O)[O-])c1C
342081617	ZINC000625328308	ref	6.68	-38.55	1	281.396	1.871	1	3	6	CCO[C@H](C[N@@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O)C1CC1
185089678	ZINC000096075197	ref	7.24	-31.77	1	262.372	2.886	1	1	2	C[N@@H+]1CCCC12CCN(Cc1ccccc1F)CC2
349535515	ZINC000618814521	ref	5.94	-21.54	0	280.372	1.225	0	5	4	CC(C)[C@@H]1OCCC[C@@H]1C(=O)N(C)Cc1cn(C)nn1
282123483	ZINC000341971566	ref	6.77	-40.91	1	329.441	1.08	2	4	6	C[NH+](C)C[C@@H]1CN(C(=O)NCCCC(=O)OC(C)(C)C)CCO1
342081618	ZINC000625328308	mid	7.42	-33.77	1	281.396	1.871	1	3	6	CCO[C@H](C[N@H+]1CCOC[C@@H]1[C@@H]1CCCC1=O)C1CC1
282123486	ZINC000341971566	high	4.21	-10.78	0	329.441	1.08	1	5	6	CN(C)C[C@@H]1CN(C(=O)NCCCC(=O)OC(C)(C)C)CCO1
342081619	ZINC000625328308	mid	6.1	-6.15	0	281.396	1.871	0	4	6	CCO[C@H](CN1CCOC[C@@H]1[C@@H]1CCCC1=O)C1CC1
342081620	ZINC000625328429	ref	-2.25	-6.81	0	271.382	1.037	4	4	7	OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccsc1
197595676	ZINC000162841178	ref	6.48	-8.64	0	317.414	2.851	1	4	5	CCN(CCc1nccs1)C(=O)N[C@@H]1COc2ccccc21
185089679	ZINC000096075197	mid	7.24	-31.91	1	262.372	2.886	1	1	2	C[N@H+]1CCCC12CCN(Cc1ccccc1F)CC2
342081621	ZINC000625328429	mid	-2.25	-6.81	0	271.382	1.037	4	5	7	OC[C@@H](NC[C@@H](O)CC1(O)CCC1)c1ccsc1
185089681	ZINC000096075197	low	9.6	-94.22	2	262.372	2.886	2	0	2	C[N@@H+]1CCCC12CC[NH+](Cc1ccccc1F)CC2
282123489	ZINC000116786154	ref	6.27	-47.73	1	346.456	1.537	1	5	5	C[NH+](C)C[C@@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)CCO1
282123696	ZINC000449156787	high	6.57	-38.29	1	292.423	2.301	2	3	6	C[C@@H](Cc1ccoc1)NC1CC[NH+](C[C@H]2CCOC2)CC1
185089682	ZINC000096075197	low	9.59	-94.47	2	262.372	2.886	2	0	2	C[N@H+]1CCCC12CC[NH+](Cc1ccccc1F)CC2
342081622	ZINC000625328305	ref	6.89	-37.34	1	281.396	1.871	1	3	6	CCO[C@H](C[N@@H+]1CCOC[C@@H]1[C@H]1CCCC1=O)C1CC1
342081623	ZINC000625328305	mid	7.26	-37.93	1	281.396	1.871	1	3	6	CCO[C@H](C[N@H+]1CCOC[C@@H]1[C@H]1CCCC1=O)C1CC1
342081624	ZINC000625328305	mid	6.19	-5.99	0	281.396	1.871	0	4	6	CCO[C@H](CN1CCOC[C@@H]1[C@H]1CCCC1=O)C1CC1
342081625	ZINC000625328472	ref	2.88	-8.89	0	271.386	1.784	1	4	7	C=CC(C)(C)CCNS(=O)(=O)c1ccnn1CC
342081626	ZINC000625328688	ref	3.81	-8.89	0	296.411	1.219	1	4	4	CC(C)(C)CNC(=O)CN1CCOC[C@H]1[C@H]1CCCC1=O
342081627	ZINC000625328644	ref	2.18	-41.81	1	268.357	1.455	3	4	7	CC(C)(C)CNC(=O)CN[C@H](CCO)c1ccco1
398245954	ZINC000649443972	ref	8.7	-46.85	1	239.322	2.748	1	2	2	C1=C(c2ccc3c(c2)ncn3C2CC2)CC[NH2+]C1
214189054	ZINC000278493542	mid	5.91	-40.38	1	319.38	2.535	2	4	5	C[C@H](O)[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1
342081628	ZINC000625328644	mid	2.18	-41.81	1	268.357	1.455	3	3	7	CC(C)(C)CNC(=O)C[NH2+][C@H](CCO)c1ccco1
342081629	ZINC000625328314	ref	2.92	-7.34	0	298.427	1.42	1	4	3	CC(C)(C)CNC(=O)CN1CCOC2(CCOCC2)CC1
342081630	ZINC000625328314	mid	5.17	-43.79	1	298.427	1.42	2	3	3	CC(C)(C)CNC(=O)C[N@@H+]1CCOC2(CCOCC2)CC1
282123484	ZINC000171455736	ref	6.62	-21.1	0	330.779	1.632	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1c(Cl)nc3ccccn13)CC2
282123485	ZINC000171328564	ref	7.81	-21.21	0	335.751	1.893	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(Cl)ccc1[N+](=O)[O-])CC2
342081631	ZINC000625328314	mid	5.09	-42.2	1	298.427	1.42	2	3	3	CC(C)(C)CNC(=O)C[N@H+]1CCOC2(CCOCC2)CC1
342081632	ZINC000625322259	ref	2.59	-6.38	0	251.33	1.994	1	5	5	C[C@H](NCc1noc(C2CCC2)n1)[C@@H]1CCCO1
365620544	ZINC000121826036	low	6.4	-37.78	1	292.77	2.223	2	4	6	C[N@@H+](CCOc1ccc(Cl)cc1)Cc1nccc(N)n1
342081633	ZINC000625322259	low	3.83	-33.95	1	251.33	1.994	1	4	5	C[C@H]([NH2+]Cc1noc(C2CCC2)n1)[C@@H]1CCCO1
342081634	ZINC000032383995	ref	4.58	-11.22	0	274.32	1.548	2	3	4	C[C@@H]1C[C@H]1CNC(=O)C[C@@H]1Oc2ccccc2NC1=O
342081635	ZINC000625328482	ref	3.45	-7.53	0	260.403	1.909	1	2	6	C=CC(C)(C)CCNS(=O)(=O)N1CCCCC1
342081636	ZINC000625322254	ref	2.33	-7.02	0	251.33	1.994	1	5	5	C[C@H](NCc1noc(C2CCC2)n1)[C@H]1CCCO1
365620553	ZINC000121827741	ref	7.05	-8.0	0	271.364	2.168	0	4	3	Cn1cncc1CN1CCO[C@](C)(c2ccccc2)C1
282123487	ZINC000171331188	ref	6.08	-15.0	0	292.289	1.61	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc(F)c1)CC2
342081637	ZINC000625322254	low	3.58	-34.25	1	251.33	1.994	1	4	5	C[C@H]([NH2+]Cc1noc(C2CCC2)n1)[C@H]1CCCO1
214189056	ZINC000278493910	ref	3.53	-15.08	0	317.389	1.372	2	5	8	COC[C@H](CCO)NC(=O)Cn1cc(-c2ccccc2)c(C)n1
342081638	ZINC000625322429	ref	1.32	-37.72	1	271.401	1.183	4	3	7	OC[C@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCCCC1
342081639	ZINC000625328190	ref	1.24	-9.01	0	291.351	1.055	0	6	4	COc1cncc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)n1
398245955	ZINC000650859539	mid	7.41	-85.98	2	298.475	1.605	4	1	8	CC(C)C[NH+](C)CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1
365620545	ZINC000172798561	ref	5.86	-11.59	0	290.407	1.681	1	3	4	Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2CN(C)CCO2)c(C)c1
365620554	ZINC000172798561	mid	8.27	-50.08	1	290.407	1.681	2	2	4	Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@H+](C)CCO2)c(C)c1
365620560	ZINC000172798561	mid	8.1	-42.97	1	290.407	1.681	2	2	4	Cc1ccc(C[C@@H](C)NC(=O)[C@@H]2C[N@@H+](C)CCO2)c(C)c1
365620572	ZINC000172802823	ref	7.71	-14.38	0	278.381	1.896	1	5	6	C[C@@H](CNC(=O)[C@@H](C)n1cncn1)Cc1cccs1
365620583	ZINC000172803523	ref	5.47	-36.12	1	293.436	1.534	2	3	4	O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1cccs1
365620599	ZINC000172803523	mid	5.35	-35.35	1	293.436	1.534	2	3	4	O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NCc1cccs1
365620611	ZINC000172803523	mid	3.11	-7.44	0	293.436	1.534	1	4	4	O=C(CN1CCN2CCCC[C@@H]2C1)NCc1cccs1
365620621	ZINC000172802078	ref	1.44	-16.26	0	279.365	1.977	1	5	6	Cc1nnc(CC(=O)NC[C@@H](C)Cc2cccs2)o1
365620634	ZINC000565279771	ref	4.17	-10.47	0	269.308	1.803	2	4	4	CC(C)[C@H](NC(=O)c1ccc(C#N)cn1)c1ncc[nH]1
282123490	ZINC000116786154	high	3.71	-19.27	0	346.456	1.537	0	6	5	CN(C)C[C@@H]1CN(C(=O)Cc2csc(-c3ccccn3)n2)CCO1
306234484	ZINC000557853848	ref	6.85	-46.16	1	337.42	1.945	1	3	3	C[C@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
365620639	ZINC000565279771	low	4.46	-37.83	1	269.308	1.803	2	3	4	CC(C)[C@H](NC(=O)c1ccc(C#N)cn1)c1[nH]cc[nH+]1
365620645	ZINC000172794691	ref	4.61	-15.9	0	264.325	1.455	1	4	3	Cc1cc(CC(=O)N[C@H]2[C@@H]3CCO[C@@H]3C2(C)C)no1
306234485	ZINC000557853848	high	5.07	-8.95	0	337.42	1.945	0	4	3	C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
306234486	ZINC000557853428	ref	1.38	-12.66	0	348.79	1.453	3	4	4	CC(C)[C@@H](NC(=O)C(=O)Nc1cc(Cl)cc2cccnc12)C(N)=O
342597495	ZINC000590811161	ref	6.4	-42.4	1	290.411	1.9	1	3	4	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cnn(C)c2C2CC2)C1
398245956	ZINC000650859539	high	5.02	-42.21	1	298.475	1.605	3	2	8	CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCCN(C)C1
365620652	ZINC000172796405	ref	4.63	-10.1	0	292.335	1.051	1	5	3	COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1CN(C)CCO1
365620662	ZINC000172796405	low	7.04	-44.28	1	292.335	1.051	2	4	3	COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1C[N@H+](C)CCO1
365620670	ZINC000172796405	low	6.89	-39.45	1	292.335	1.051	2	4	3	COC(=O)c1cc(C)ccc1NC(=O)[C@@H]1C[N@@H+](C)CCO1
342597496	ZINC000590811972	ref	5.96	-56.41	1	298.427	1.559	1	3	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)OC[C@H]2CCCO2)C1
178305086	ZINC000082049588	ref	6.04	-5.42	0	222.085	3.306	0	1	0	Cc1cc2ncccc2cc1Br
342597497	ZINC000590811839	ref	5.63	-40.29	1	276.384	1.501	2	2	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1
214189057	ZINC000053574494	ref	6.34	-8.63	0	326.787	3.716	1	5	6	Clc1cncc(NCc2ccc(OCc3ccccn3)cc2)n1
214189062	ZINC000053554758	ref	3.81	-23.03	0	339.402	2.389	2	8	6	CCNc1nnc(Sc2ccc(C(=O)NC)cc2[N+](=O)[O-])s1
342597498	ZINC000590811963	ref	6.79	-84.2	2	255.406	1.317	2	1	6	CC[NH+](CC)CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
342597499	ZINC000590811963	high	4.74	-39.23	1	255.406	1.317	1	2	6	CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
178305088	ZINC000065154527	ref	7.61	-9.69	0	240.266	1.403	0	5	1	Cc1cc2nn(C)c(=O)n2c(-c2ccccc2)n1
222609077	ZINC000125795116	ref	5.02	-20.87	0	331.416	1.607	2	3	4	C[C@H]1[C@H](c2ccccc2)CCN1C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1
398245957	ZINC000649444131	ref	3.67	-8.57	0	220.247	2.027	1	3	2	Cc1c(-c2cc(F)cc(CO)c2)cnn1C
222609080	ZINC000125791420	ref	4.96	-14.01	0	343.214	2.943	2	5	4	Cc1nn(C)c(C)c1OCC(=O)Nc1cc(Cl)c(N)c(Cl)c1
342597500	ZINC000590811730	ref	5.53	-39.4	1	262.357	1.388	1	3	3	Cc1nccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n1
185089684	ZINC000096076570	ref	5.37	-42.11	1	280.372	0.251	2	4	2	Cc1nc[nH]c1CN1CCO[C@]2(COCC[N@@H+](C)C2)C1
178305102	ZINC000069075664	ref	9.68	-15.33	0	228.295	2.632	0	3	3	Cc1cc2ncn(CC(=O)C3CC3)c2cc1C
214189066	ZINC000053559170	ref	10.9	-15.04	0	334.423	3.194	1	3	4	O=C(NCCCn1cnc2ccccc21)N1CCc2ccccc2C1
178305108	ZINC000069075664	low	10.15	-36.36	1	228.295	2.632	0	2	3	Cc1cc2[nH+]cn(CC(=O)C3CC3)c2cc1C
185089686	ZINC000096076570	mid	4.76	-40.87	1	280.372	0.251	2	4	2	Cc1nc[nH]c1CN1CCO[C@]2(COCC[N@H+](C)C2)C1
178305111	ZINC000277946287	ref	10.19	-15.31	0	242.322	3.022	0	3	3	Cc1cc2ncn(CC(=O)C3CCC3)c2cc1C
214189071	ZINC000053581804	ref	8.53	-13.39	0	328.372	3.011	1	5	7	CCN(CC)C(=O)[C@H](Nc1ccc([N+](=O)[O-])cn1)c1ccccc1
342597501	ZINC000616978922	ref	6.66	-20.16	0	251.33	1.647	1	3	4	CC[C@H](C)N(CC)C(=O)c1nc(C)c(C)[nH]c1=O
349535517	ZINC000621497282	ref	7.83	-9.14	0	274.355	3.109	1	1	3	C[C@H]1CN(C(=O)NCC[C@H]2CC2(F)F)CC(C)(C)C1
185089687	ZINC000096076570	mid	2.45	-9.51	0	280.372	0.251	1	5	2	Cc1nc[nH]c1CN1CCO[C@]2(COCCN(C)C2)C1
342081640	ZINC000625328513	ref	5.84	-42.98	1	252.362	1.106	1	4	5	COC[C@H]1CCCC[N@H+](CCc2cn(C)nn2)C1
342081641	ZINC000625328513	mid	5.84	-42.98	1	252.362	1.106	1	4	5	COC[C@H]1CCCC[N@@H+](CCc2cn(C)nn2)C1
342081642	ZINC000625328786	ref	4.68	-19.63	0	295.232	1.742	1	3	8	O=C(COCC(F)F)NCCOc1ccc(F)c(F)c1
282123492	ZINC000172131307	ref	5.52	-39.66	1	287.429	0.854	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2CCSCC2)CCO1
282123493	ZINC000172131307	high	2.96	-9.13	0	287.429	0.854	1	4	3	CN(C)C[C@@H]1CN(C(=O)NC2CCSCC2)CCO1
365620549	ZINC000625023852	ref	7.15	-16.94	0	315.2	2.273	1	2	3	CNC(=O)[C@H]1CCCN1C(=O)Cc1cc(Cl)cc(Cl)c1
365620557	ZINC000625026446	ref	8.02	-19.37	0	319.449	2.361	1	2	3	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1CCC[C@@H](C2CCC2)C1
342081643	ZINC000625328499	ref	1.03	-14.71	0	299.396	1.346	0	6	4	CS(=O)(=O)[C@H]1CCCN(Cc2noc(C3CCC3)n2)C1
398245958	ZINC000449203605	ref	3.05	-37.66	1	241.375	1.942	2	2	4	C[C@H]([NH2+]C[C@]1(O)CCOC1)[C@H]1CCCC[C@H]1C
349536224	ZINC000258932383	ref	4.56	-140.24	2	248.326	1.427	2	2	4	[NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2
365620569	ZINC000625024585	ref	7.64	-18.96	0	304.365	2.056	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1
342081644	ZINC000625328176	ref	-0.17	-6.03	0	293.367	1.257	0	6	3	COc1cncc(CN2CCOC3(CCOCC3)CC2)n1
306234487	ZINC000557853618	ref	2.49	-19.61	0	342.465	1.649	2	5	5	CC(C)n1cc([C@@H](C)NC(=O)NC[C@H]2CCCS(=O)(=O)C2)cn1
306234488	ZINC000557845271	ref	2.61	-11.68	0	343.449	1.076	0	6	2	Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1
342081645	ZINC000625328176	mid	2.02	-45.29	1	293.367	1.257	1	5	3	COc1cncc(C[N@@H+]2CCOC3(CCOCC3)CC2)n1
282123495	ZINC000345222638	ref	8.33	-38.61	1	337.508	2.851	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)CCO1
342081646	ZINC000625328176	mid	2.72	-42.76	1	293.367	1.257	1	5	3	COc1cncc(C[N@H+]2CCOC3(CCOCC3)CC2)n1
306234489	ZINC000557847905	ref	1.79	-14.88	0	331.42	1.332	3	4	4	C[C@H](O)CN1CCN(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1
342081647	ZINC000625322256	ref	2.36	-6.68	0	251.33	1.994	1	5	5	C[C@@H](NCc1noc(C2CCC2)n1)[C@@H]1CCCO1
282123497	ZINC000345222638	high	5.87	-8.6	0	337.508	2.851	1	3	3	CN(C)C[C@@H]1CN(C(=O)NC2CCC3(CCCCC3)CC2)CCO1
342081648	ZINC000625322256	low	3.56	-34.32	1	251.33	1.994	1	4	5	C[C@@H]([NH2+]Cc1noc(C2CCC2)n1)[C@@H]1CCCO1
342081649	ZINC000625328531	ref	2.06	-10.69	0	261.387	1.686	1	3	6	C=CC(C)(C)CCNS(=O)(=O)[C@@H]1CCO[C@@H]1C
343994269	ZINC000139327515	ref	3.46	-30.02	1	164.208	1.687	2	1	2	C[C@@H]1C[C@H]1c1ccc(C(N)=[NH2+])o1
343994272	ZINC000139327515	mid	3.47	-7.76	0	164.208	1.687	2	2	2	C[C@@H]1C[C@H]1c1ccc(C(=N)N)o1
365620561	ZINC000121827741	low	9.22	-44.59	1	271.364	2.168	1	3	3	Cn1cncc1C[N@@H+]1CCO[C@](C)(c2ccccc2)C1
365620570	ZINC000121827741	low	8.86	-44.14	1	271.364	2.168	1	3	3	Cn1cncc1C[N@H+]1CCO[C@](C)(c2ccccc2)C1
365620580	ZINC000121827397	ref	5.81	-40.25	1	276.167	2.022	1	2	4	CN(CC[NH+](C)C)C(=O)c1cc(Cl)ncc1Cl
365620589	ZINC000121827397	high	3.37	-7.3	0	276.167	2.022	0	3	4	CN(C)CCN(C)C(=O)c1cc(Cl)ncc1Cl
365620606	ZINC000121828098	ref	2.29	-10.02	0	276.336	2.061	3	3	4	CCC[C@](C)(O)C(=O)Nc1ccc2c(c1)CCC(=O)N2
365620616	ZINC000121823689	ref	6.82	-7.37	0	270.332	2.394	1	4	5	COC(=O)[C@H](NCc1ccc(C)cn1)c1ccccc1
365620626	ZINC000121825374	ref	6.32	-10.2	0	278.4	2.449	1	3	2	Cc1c(CNC(=O)N2C[C@H](C)CCC[C@H]2C)cnn1C
365620635	ZINC000121829398	ref	8.62	-14.55	0	278.4	2.412	1	3	7	CCC[C@H]1C[C@@H]1NC(=O)N(C)CCCn1ccnc1C
185089689	ZINC000096076570	low	5.84	-79.4	2	280.372	0.251	2	3	2	Cc1[nH+]c[nH]c1CN1CCO[C@]2(COCC[N@@H+](C)C2)C1
282123494	ZINC000370991687	ref	2.8	-9.27	0	326.481	2.824	3	3	6	CCC(CC)(CO)CNC(=O)NC1CCC2(CCOCC2)CC1
214189058	ZINC000337628476	ref	5.99	-42.32	1	253.346	0.161	1	2	5	CCC[N@H+](C)CC(=O)N1CCN(C2CC2)C(=O)C1
342081650	ZINC000625328721	ref	2.13	-40.41	-1	297.302	1.482	1	4	6	C=C(C)CS(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F
197595697	ZINC000290102692	ref	2.39	-9.95	0	251.311	1.03	1	4	4	CC[C@@H]1C[C@H]1NS(=O)(=O)c1cncc(C#N)c1
342081651	ZINC000625328721	high	2.13	-40.41	-1	297.302	1.482	0	4	6	C=C(C)CS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F
178305100	ZINC000237283510	ref	2.61	-62.88	1	356.422	1.822	2	4	5	COc1ccc(OC)c2c1CN(C(=O)[C@@H](C[NH3+])c1ccccc1)C[C@H]2O
342081652	ZINC000625322555	ref	0.4	-8.31	0	254.33	1.829	1	5	6	Cc1cnc([C@H](C)NCCOC2CCOCC2)o1
342081653	ZINC000625322555	mid	1.73	-38.98	1	254.33	1.829	1	4	6	Cc1cnc([C@H](C)[NH2+]CCOC2CCOCC2)o1
342081654	ZINC000157764891	ref	4.97	-46.63	1	253.346	1.141	3	2	5	C[C@@H]([NH2+][C@H](C)C1CCC1)C(=O)NC(=O)NC1CC1
342081655	ZINC000032388693	ref	4.36	-14.86	0	267.35	1.476	1	3	4	C[C@@H]1C[C@@H]1CNC(=O)c1ccccc1S(C)(=O)=O
342081656	ZINC000625328490	ref	3.07	-10.19	0	275.414	1.935	1	3	7	C=CC(C)(C)CCNS(=O)(=O)CC1CCOCC1
342081657	ZINC000625328685	ref	3.92	-9.14	0	296.411	1.219	1	4	4	CC(C)(C)CNC(=O)CN1CCOC[C@@H]1[C@H]1CCCC1=O
178305103	ZINC000237283510	high	2.23	-13.45	0	356.422	1.822	2	5	5	COc1ccc(OC)c2c1CN(C(=O)[C@@H](CN)c1ccccc1)C[C@H]2O
342597502	ZINC000590810855	ref	6.34	-42.26	1	261.369	1.993	1	2	3	Cc1cccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n1
214189060	ZINC000337628476	mid	6.02	-42.31	1	253.346	0.161	1	2	5	CCC[N@@H+](C)CC(=O)N1CCN(C2CC2)C(=O)C1
214189063	ZINC000337628476	mid	3.73	-10.01	0	253.346	0.161	0	3	5	CCCN(C)CC(=O)N1CCN(C2CC2)C(=O)C1
342597503	ZINC000590811114	ref	7.11	-42.73	1	268.401	1.79	1	2	6	CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)OCC2CC2)C1
342597504	ZINC000590811319	ref	4.89	-43.27	1	276.38	1.924	2	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)Cc2cccc(O)c2)C1
342597505	ZINC000590810856	ref	6.38	-38.24	1	261.369	1.993	1	2	3	Cc1cccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n1
342597506	ZINC000616978888	ref	8.21	-13.06	0	264.373	1.796	0	4	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCc2nnc(C)n2C1
222609082	ZINC000222509260	ref	3.81	-19.18	0	398.868	3.005	1	5	6	COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c(OC)c1
365620563	ZINC000274308285	mid	5.97	-44.0	1	263.345	1.423	2	3	2	C[C@@H]1C[C@H](N(C)C(=O)Nc2cncnc2)CC[N@H+]1C
214189068	ZINC000337630191	ref	1.81	-17.42	0	297.355	-0.035	1	6	7	CN(CCOCCO)C(=O)[C@H]1CCO[C@H]1c1cnn(C)c1
178305106	ZINC000237271331	ref	6.06	-52.36	1	373.478	1.806	1	3	4	C[NH2+]C[C@@H]1CCCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1
178305112	ZINC000237267900	ref	2.25	-81.92	0	354.457	1.738	2	5	7	C[NH2+]C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)[N-]c2nccs2)c1
214189073	ZINC000337630647	ref	5.11	-7.41	0	263.328	3.089	1	2	6	CCC(CC)C(=O)N[C@@H]1CCCC[C@H]1OC(F)F
365620566	ZINC000274308285	high	3.68	-10.29	0	263.345	1.423	1	4	2	C[C@@H]1C[C@H](N(C)C(=O)Nc2cncnc2)CCN1C
365639395	ZINC000343914584	ref	5.36	-6.22	0	240.347	2.138	1	2	2	CC[C@@H]1CCCCN1C(=O)N[C@H]1CCO[C@H]1C
398245959	ZINC000650859539	high	5.01	-42.17	1	298.475	1.605	3	2	8	CC(C)C[N@@H+](C)CCCNC(=O)NC[C@H]1CCCN(C)C1
178305116	ZINC000237267900	low	2.58	-52.38	1	354.457	1.738	3	5	7	C[NH2+]C[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1
342597507	ZINC000590792442	ref	7.11	-16.36	0	285.39	1.539	0	5	4	COC(=O)CSCC(=O)N1CCc2sccc2C1
342597508	ZINC000590810682	ref	8.11	-54.0	1	287.367	1.332	1	4	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc3nncn3c2)C1
342597509	ZINC000590794063	ref	2.9	-9.67	0	293.323	1.131	3	4	5	C=C(CC)CNC(=O)C(=O)Nc1cc(C)[nH]c1C(=O)OC
342597510	ZINC000590811378	ref	3.77	-50.57	1	277.368	1.693	1	3	4	COc1ncccc1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
214189061	ZINC000278493530	ref	3.66	-8.49	0	319.38	2.535	1	5	5	C[C@@H](O)[C@@H]1CCCCN1Cc1nc(Cc2cccc(F)c2)no1
342081658	ZINC000625328651	ref	3.45	-12.55	0	297.376	1.712	1	4	5	C=C(C)CS(=O)(=O)NC[C@]1(C)COc2ccccc2O1
185089690	ZINC000096076570	low	5.23	-78.53	2	280.372	0.251	2	3	2	Cc1[nH+]c[nH]c1CN1CCO[C@]2(COCC[N@H+](C)C2)C1
185089692	ZINC000096079187	ref	9.19	-58.35	1	297.402	2.467	1	2	2	C[NH+](C)[C@@H]1CC2(CCN(C(=O)CC#N)CC2)c2ccccc21
342081659	ZINC000625328433	ref	-0.91	-6.36	0	271.382	1.037	4	4	7	OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)c1ccsc1
342081660	ZINC000625328433	mid	-0.91	-6.36	0	271.382	1.037	4	5	7	OC[C@@H](NC[C@H](O)CC1(O)CCC1)c1ccsc1
282123496	ZINC000418424944	ref	0.53	-37.95	1	273.421	1.458	4	2	9	CCC(CC)(CO)CNC(=O)N[C@@H](C[NH3+])CC(C)C
282123499	ZINC000128780072	ref	8.15	-8.44	0	305.3	2.887	1	5	6	CCC(CC)(CNc1nccc(C(F)(F)F)n1)C(=O)OC
282123501	ZINC000301462121	ref	2.27	-17.88	0	282.369	1.364	1	6	6	CCC(CC)(CNc1nccnc1C#N)S(C)(=O)=O
185089695	ZINC000096076002	ref	7.55	-48.3	1	285.391	2.09	1	2	3	Cc1ccc(C(=O)N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)cn1
342081661	ZINC000625328630	ref	5.22	-15.09	0	298.394	1.769	1	5	5	Cn1cc(CC[NH2+]C(C)(C)c2nc3ccccc3n2C)nn1
342081662	ZINC000625328630	high	5.22	-15.09	0	298.394	1.769	1	6	5	Cn1cc(CCNC(C)(C)c2nc3ccccc3n2C)nn1
342081663	ZINC000625328647	ref	3.4	-15.82	0	297.376	1.712	1	4	5	C=C(C)CS(=O)(=O)NC[C@@]1(C)COc2ccccc2O1
361822752	ZINC000035800891	mid	8.73	-41.33	1	272.392	2.494	2	1	3	O=C(C[N@H+]1CCc2ccccc2C1)NC1CCCCC1
361822760	ZINC000035891344	ref	9.12	-43.62	-1	273.332	2.113	0	3	3	O=C([O-])[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C2CC2)C1
361822771	ZINC000035779828	ref	5.01	-36.21	1	271.368	2.379	1	4	4	CCn1cc(NC2CCN(c3cc[nH+]cc3)CC2)cn1
361822779	ZINC000035779828	high	4.54	-8.04	0	271.368	2.379	1	5	4	CCn1cc(NC2CCN(c3ccncc3)CC2)cn1
361822784	ZINC000035883938	ref	7.48	-10.99	0	286.375	2.183	1	2	4	Cc1ccc(N2CC[C@H](C(=O)NCC3CC3)C2=O)cc1C
361822800	ZINC000035792849	ref	3.52	-10.03	0	264.369	2.246	2	2	7	CC(C)COc1ccc([C@@H](C)[NH2+][C@@H](C)C(N)=O)cc1
361822812	ZINC000035792849	high	3.52	-10.03	0	264.369	2.246	2	3	7	CC(C)COc1ccc([C@@H](C)N[C@@H](C)C(N)=O)cc1
361822819	ZINC000035841789	ref	6.11	-36.81	1	268.357	2.008	1	2	4	C[NH2+]CCN1C(=O)[C@@H](C)S[C@H]1c1ccccc1F
361822832	ZINC000035837879	ref	4.35	-4.88	0	265.11	2.321	1	3	2	O[C@@H](c1ccccc1)c1ncncc1Br
398245960	ZINC000650858500	ref	-0.17	-13.64	0	282.369	1.076	3	4	4	Cc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)cs1
365620575	ZINC000274313799	ref	3.27	-6.88	0	262.313	1.112	2	4	4	O=C(NCCC1CCCC1)C(=O)Nc1cncnc1
342597511	ZINC000590810391	ref	5.77	-41.06	1	254.374	1.544	1	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CCCO2)C1
398245962	ZINC000650859858	ref	4.57	-42.62	1	283.416	1.585	3	2	4	CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[N@H+](C)C1
197595686	ZINC000162843644	ref	4.7	-8.12	0	306.362	3.064	1	4	4	O=C(NCc1cccc(F)c1)c1csc([C@@H]2CCCO2)n1
342597512	ZINC000590811737	ref	5.53	-39.75	1	262.357	1.388	1	3	3	Cc1nccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n1
365620586	ZINC000353180630	ref	4.02	-7.83	0	251.273	1.03	1	4	5	CCOC(=O)[C@@](C)(O)CN1CCC[C@H]1C(F)F
342600575	ZINC000616999833	ref	4.92	-38.65	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCOC2)C1
365620593	ZINC000353180630	low	5.51	-35.44	1	251.273	1.03	2	3	5	CCOC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H]1C(F)F
365620596	ZINC000353180630	low	4.99	-38.01	1	251.273	1.03	2	3	5	CCOC(=O)[C@@](C)(O)C[N@H+]1CCC[C@H]1C(F)F
398245964	ZINC000650859858	mid	5.0	-42.0	1	283.416	1.585	3	2	4	CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+](C)C1
295666477	ZINC000360901509	ref	6.75	-7.77	0	306.431	2.665	1	3	3	O=C(NC[C@@H]1CCCS1)N1CCOC[C@@H]1c1ccccc1
342600576	ZINC000616999833	mid	4.97	-39.01	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@]2(C)CCOC2)C1
295666479	ZINC000132023031	ref	6.8	-9.45	0	281.421	2.394	1	3	3	O=C(NC[C@@H]1CCCS1)C1C[C@@H]2CCC[C@H](C1)C2=O
365620605	ZINC000637717179	ref	5.33	-45.15	1	291.395	1.203	3	2	5	Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N(C)CCO)C2)cc1
365620614	ZINC000637717179	mid	5.34	-45.17	1	291.395	1.203	3	2	5	Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N(C)CCO)C2)cc1
365620618	ZINC000637717179	high	2.89	-8.72	0	291.395	1.203	2	3	5	Cc1ccc(CN2CC[C@H](NC(=O)N(C)CCO)C2)cc1
365620628	ZINC000274309341	ref	5.06	-7.36	0	298.346	1.909	2	4	3	Cc1cc(C)cc([C@@H](C)NC(=O)C(=O)Nc2cncnc2)c1
365620648	ZINC000274310830	ref	2.11	-15.48	0	258.285	1.399	3	4	2	O=C(Nc1cncnc1)N[C@@H]1CCCc2c[nH]nc21
365620659	ZINC000274310830	mid	2.06	-13.05	0	258.285	1.399	3	4	2	O=C(Nc1cncnc1)N[C@@H]1CCCc2cn[nH]c21
365620669	ZINC000274312401	ref	5.51	-41.73	1	268.357	1.927	1	3	2	Fc1cncc(C[N@@H+]2CCS[C@H]3COCC[C@@H]32)c1
342600577	ZINC000401680491	ref	2.7	-6.12	0	273.373	1.192	1	5	7	CCC[C@H](C(=O)OCC)N1CCC[C@](CO)(OC)C1
398245966	ZINC000650859858	high	2.61	-8.82	0	283.416	1.585	2	3	4	CO[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1CCCN(C)C1
342081664	ZINC000625322430	ref	0.03	-37.89	1	271.401	1.183	4	3	7	OC[C@@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCCCC1
342081665	ZINC000625328262	ref	2.11	-39.26	1	271.382	1.567	2	4	7	OC[C@H]([NH2+]CCOC1CCOCC1)c1ccsc1
349535518	ZINC000618816084	ref	4.62	-21.18	0	298.346	1.075	2	3	2	CN1CC[C@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1=O
190494245	ZINC000269438381	ref	9.83	-12.75	0	284.334	3.304	0	2	2	CN(C(=O)[C@H]1CCCc2ccccc21)c1ncccc1F
197595694	ZINC000162847623	ref	6.36	-6.37	0	310.191	3.15	1	2	3	CC1=C(C(=O)NCc2cccc(Br)c2)CCCO1
349535520	ZINC000618814626	ref	5.72	-18.91	0	293.396	1.742	0	6	5	CC(C)Cc1nc(C(=O)N(C)Cc2cn(C)nn2)cs1
349535521	ZINC000618814741	ref	5.29	-22.05	0	274.324	1.025	0	5	5	COc1ccccc1CC(=O)N(C)Cc1cn(C)nn1
342081666	ZINC000625328262	high	0.78	-6.16	0	271.382	1.567	2	5	7	OC[C@H](NCCOC1CCOCC1)c1ccsc1
214189064	ZINC000278493530	mid	5.25	-38.77	1	319.38	2.535	2	4	5	C[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1
190494248	ZINC000269440098	ref	2.21	-8.94	0	259.309	0.969	2	4	5	C[C@H](O)CNC(=O)[C@@H](c1ccccc1)n1cccn1
342081667	ZINC000625328283	ref	6.14	-36.09	1	271.401	1.93	1	3	6	COC[C@H]1CCCC[N@H+](CCOC2CCOCC2)C1
342081668	ZINC000625328283	mid	6.03	-36.81	1	271.401	1.93	1	3	6	COC[C@H]1CCCC[N@@H+](CCOC2CCOCC2)C1
342081669	ZINC000032381516	ref	7.36	-11.98	0	286.375	1.807	1	2	5	C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1
342081670	ZINC000625328576	ref	3.4	-10.96	0	285.413	1.918	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1c(C)nn(C)c1C
342081671	ZINC000625328725	ref	2.28	-9.61	0	267.354	1.108	0	6	3	O=C1CCC[C@H]1[C@H]1COCCN1Cc1cnns1
342081672	ZINC000625328498	ref	0.44	-16.94	0	299.396	1.346	0	6	4	CS(=O)(=O)[C@@H]1CCCN(Cc2noc(C3CCC3)n2)C1
342081673	ZINC000625328431	ref	-2.41	-6.47	0	271.382	1.037	4	4	7	OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)c1ccsc1
342081674	ZINC000625328431	mid	-2.41	-6.47	0	271.382	1.037	4	5	7	OC[C@H](NC[C@@H](O)CC1(O)CCC1)c1ccsc1
342081675	ZINC000625328132	ref	2.92	-11.46	0	271.386	1.784	1	4	7	C=CC(C)(C)CCNS(=O)(=O)c1cnn(CC)c1
342081676	ZINC000625328401	ref	6.24	-43.51	1	290.367	1.934	1	5	6	COCc1ccc([C@@H]2CCC[N@@H+]2CCc2cn(C)nn2)o1
342081677	ZINC000625328401	mid	6.6	-39.55	1	290.367	1.934	1	5	6	COCc1ccc([C@@H]2CCC[N@H+]2CCc2cn(C)nn2)o1
342081678	ZINC000625328401	high	3.92	-13.52	0	290.367	1.934	0	6	6	COCc1ccc([C@@H]2CCCN2CCc2cn(C)nn2)o1
282123498	ZINC000172113463	ref	2.66	-39.31	1	285.388	0.262	3	3	3	C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC(O)CC2)CCO1
365620578	ZINC000625024674	ref	2.61	-13.33	0	321.389	2.349	2	3	7	CC[C@@H](C[C@H](C)CO)NS(=O)(=O)c1ccc(C)c(F)c1F
365620584	ZINC000625024674	high	2.23	-47.88	-1	321.389	2.349	1	3	7	CC[C@@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C)c(F)c1F
365620595	ZINC000625026563	ref	6.24	-10.67	0	303.374	2.425	0	2	4	C[C@@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)C[C@@H]1C
365620604	ZINC000625026566	ref	6.39	-10.85	0	303.374	2.425	0	2	4	C[C@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)C[C@@H]1C
282123500	ZINC000172113463	high	0.11	-10.15	0	285.388	0.262	2	4	3	CN(C)C[C@@H]1CN(C(=O)NC2CCC(O)CC2)CCO1
365620610	ZINC000625025450	ref	7.59	-12.94	0	322.449	2.053	0	3	4	COC1CC(C(=O)N2CCN(C(=O)CC3CCCCC3)CC2)C1
178305117	ZINC000277946287	low	10.66	-36.69	1	242.322	3.022	0	2	3	Cc1cc2[nH+]cn(CC(=O)C3CCC3)c2cc1C
365620622	ZINC000625027078	ref	3.19	-14.14	0	320.361	2.002	0	4	5	C[C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@H]1C
365620631	ZINC000625025140	ref	8.8	-17.24	0	313.401	2.346	1	4	8	CCO[C@H](C(=O)NCCc1ccn(-c2ccccc2)n1)C1CC1
365620646	ZINC000625023905	ref	4.57	-9.42	0	301.452	2.442	1	3	3	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@H]3C2)CO1
343994270	ZINC000599272016	mid	7.6	-51.75	1	293.374	1.979	1	4	3	Cc1ccc(C[NH+]2CCN(c3cnccn3)CC2)cc1C#N
365620653	ZINC000625023937	ref	7.81	-48.01	1	309.454	2.023	1	2	2	C[C@H]1CN(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1
178305124	ZINC000062525705	ref	2.58	-6.12	0	212.046	2.899	0	2	0	Cc1cc2ncoc2cc1Br
365620661	ZINC000625025918	ref	5.0	-15.48	0	301.346	2.093	1	5	4	COc1cccc2c1OCC[C@@H]2NC(=O)[C@H](C)n1cccn1
178305128	ZINC000041042676	ref	6.31	-55.21	1	217.316	2.563	1	2	3	Cc1cc2ncn([C@H](C)CC[NH3+])c2cc1C
365620672	ZINC000625026705	ref	6.0	-12.94	0	312.454	2.25	2	3	9	CCO[C@@H](C(=O)NCCNC(=O)CC1CCCCC1)C(C)C
214189065	ZINC000293629131	ref	0.43	-14.46	0	357.407	0.977	3	4	5	CNS(=O)(=O)c1cc(NC(=O)C(=O)NC2(C(C)C)CC2)ccc1F
178305134	ZINC000041042676	low	6.79	-98.4	2	217.316	2.563	1	1	3	Cc1cc2[nH+]cn([C@H](C)CC[NH3+])c2cc1C
178305137	ZINC000188531756	ref	8.98	-10.0	0	244.338	3.221	0	3	2	Cc1cc2ncn(C[C@@H]3CC[C@H](C)O3)c2cc1C
365620681	ZINC000625023904	ref	4.21	-8.99	0	301.452	2.442	1	3	3	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)CO1
365620690	ZINC000625024587	ref	7.35	-14.97	0	304.365	2.056	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)[C@H]1CC[C@H]1c1ccc(F)cc1
343994271	ZINC000625559064	ref	2.61	-9.4	0	205.323	1.528	1	2	6	C/C=C\CNS(=O)(=O)CCC(C)C
343994274	ZINC000625560913	ref	3.69	-9.66	0	231.361	1.752	1	2	5	CCCS(=O)(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
343994278	ZINC000129390119	ref	2.4	-46.98	1	234.299	0.844	2	2	3	CC[C@@H]([NH3+])C(=O)N[C@H]1COc2ccccc2C1
343994284	ZINC000129390119	high	2.11	-9.02	0	234.299	0.844	2	3	3	CC[C@@H](N)C(=O)N[C@H]1COc2ccccc2C1
365620581	ZINC000576530885	ref	3.2	-39.01	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[C@H](O)C2(C)C)C1
365620587	ZINC000576530885	mid	3.29	-39.46	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@H](O)C2(C)C)C1
365620592	ZINC000576530885	mid	0.89	-8.91	0	240.347	0.604	2	3	3	C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](O)C2(C)C)C1
365620597	ZINC000576530406	ref	1.8	-17.87	0	232.186	-0.485	1	3	2	CN1C(=O)C[C@@H](NC(=O)[C@H]2CC2(F)F)C1=O
365620607	ZINC000576530721	ref	2.51	-52.54	1	244.245	0.712	1	3	3	CN(C(=O)c1ccnn1C(F)F)[C@H]1CC[NH2+]C1
365620617	ZINC000576530773	ref	2.24	-10.87	0	226.276	0.442	1	3	2	NC(=O)[C@H]1CC[C@H]1C(=O)N1CCCCCO1
365620627	ZINC000576530408	ref	1.8	-17.9	0	232.186	-0.485	1	3	2	CN1C(=O)C[C@H](NC(=O)[C@@H]2CC2(F)F)C1=O
365620633	ZINC000576529333	ref	1.79	-10.01	0	204.233	0.887	0	5	2	c1coc(CN2CCn3nncc3C2)c1
365620641	ZINC000576530090	ref	8.31	-25.92	0	243.347	1.988	1	3	9	CCOCC[N@H+](CC1CC1)[C@](C)(CC)C(=O)[O-]
365620644	ZINC000576530090	mid	7.53	-32.81	0	243.347	1.988	1	3	9	CCOCC[N@@H+](CC1CC1)[C@](C)(CC)C(=O)[O-]
342081679	ZINC000625328191	ref	0.76	-10.07	0	291.351	1.055	0	6	4	COc1cncc(CN2CCOC[C@H]2[C@H]2CCCC2=O)n1
365620649	ZINC000576530820	ref	6.47	-3.86	0	202.301	3.135	1	2	2	Cc1ccc(N[C@H]2CCCC23CC3)cn1
365620650	ZINC000576530820	low	6.9	-26.43	1	202.301	3.135	1	1	2	Cc1ccc(N[C@H]2CCCC23CC3)c[nH+]1
365620658	ZINC000576530763	ref	2.63	-14.78	0	226.276	0.442	1	3	2	NC(=O)[C@@H]1CC[C@@H]1C(=O)N1CCCCCO1
365620665	ZINC000576529639	ref	6.57	-15.21	0	231.255	1.341	1	5	3	Cn1cnc(N[C@@H]2C[C@H]2c2ccco2)cc1=O
342081680	ZINC000625328279	ref	5.16	-36.68	1	255.358	1.293	1	3	5	CCO[C@H](C[N@@H+]1CCO[C@]2(CCOC2)C1)C1CC1
342081681	ZINC000625328279	mid	5.2	-38.31	1	255.358	1.293	1	3	5	CCO[C@H](C[N@H+]1CCO[C@]2(CCOC2)C1)C1CC1
342081682	ZINC000625328279	high	3.77	-3.49	0	255.358	1.293	0	4	5	CCO[C@H](CN1CCO[C@]2(CCOC2)C1)C1CC1
342081683	ZINC000032388861	ref	5.71	-9.64	0	258.325	1.732	1	4	3	Cc1cc2ncc(C(=O)NC[C@H]3C[C@@H]3C)c(C)n2n1
342081684	ZINC000032388859	ref	5.64	-9.72	0	258.325	1.732	1	4	3	Cc1cc2ncc(C(=O)NC[C@H]3C[C@H]3C)c(C)n2n1
342081685	ZINC000625328645	ref	2.18	-41.83	1	268.357	1.455	3	4	7	CC(C)(C)CNC(=O)CN[C@@H](CCO)c1ccco1
342081686	ZINC000625328645	mid	2.18	-41.83	1	268.357	1.455	3	3	7	CC(C)(C)CNC(=O)C[NH2+][C@@H](CCO)c1ccco1
342081687	ZINC000625322554	ref	0.44	-9.14	0	254.33	1.829	1	5	6	Cc1cnc([C@@H](C)NCCOC2CCOCC2)o1
342081688	ZINC000625322554	mid	1.74	-38.36	1	254.33	1.829	1	4	6	Cc1cnc([C@@H](C)[NH2+]CCOC2CCOCC2)o1
282123502	ZINC000356065630	ref	5.67	-47.68	1	331.42	1.077	3	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccc3c[nH]nc3c2)CCO1
282123503	ZINC000356065630	high	3.21	-17.36	0	331.42	1.077	2	4	5	CN(C)C[C@@H]1CN(C(=O)NCCc2ccc3c[nH]nc3c2)CCO1
282123505	ZINC000423762127	ref	4.11	-92.88	2	269.389	0.293	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1
342081689	ZINC000625328718	ref	2.22	-12.52	0	267.354	1.108	0	6	3	O=C1CCC[C@@H]1[C@H]1COCCN1Cc1cnns1
342081690	ZINC000625328307	ref	7.45	-39.14	1	281.396	1.871	1	3	6	CCO[C@H](C[N@@H+]1CCOC[C@H]1[C@@H]1CCCC1=O)C1CC1
282123506	ZINC000423762127	high	1.66	-52.14	1	269.389	0.293	1	3	4	CN(C)C[C@@H]1CN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CCO1
365620590	ZINC000336541421	ref	6.76	-37.69	1	279.409	2.152	1	3	1	Cc1cc(C(=O)N2CCC3(CCC[N@H+]3C)CC2)ns1
365620602	ZINC000336541421	mid	6.78	-37.55	1	279.409	2.152	1	3	1	Cc1cc(C(=O)N2CCC3(CCC[N@@H+]3C)CC2)ns1
365620612	ZINC000336541695	ref	4.12	-41.29	1	289.354	2.495	1	3	2	C[N@@H+]1CC[C@]2(CCN(Cc3nc4cc(F)ccc4o3)C2)C1
365620619	ZINC000336541695	mid	4.14	-41.11	1	289.354	2.495	1	3	2	C[N@H+]1CC[C@]2(CCN(Cc3nc4cc(F)ccc4o3)C2)C1
365620629	ZINC000336541695	low	6.64	-106.13	2	289.354	2.495	2	2	2	C[N@@H+]1CC[C@]2(CC[NH+](Cc3nc4cc(F)ccc4o3)C2)C1
365620636	ZINC000336541695	low	6.66	-104.42	2	289.354	2.495	2	2	2	C[N@H+]1CC[C@]2(CC[NH+](Cc3nc4cc(F)ccc4o3)C2)C1
342081691	ZINC000625328307	mid	6.89	-38.41	1	281.396	1.871	1	3	6	CCO[C@H](C[N@H+]1CCOC[C@H]1[C@@H]1CCCC1=O)C1CC1
342081692	ZINC000625328307	mid	5.09	-6.75	0	281.396	1.871	0	4	6	CCO[C@H](CN1CCOC[C@H]1[C@@H]1CCCC1=O)C1CC1
342081693	ZINC000625328403	ref	6.48	-41.14	1	290.367	1.934	1	5	6	COCc1ccc([C@H]2CCC[N@@H+]2CCc2cn(C)nn2)o1
365620640	ZINC000336541695	low	6.61	-104.89	2	289.354	2.495	2	2	2	C[NH+]1CC[C@]2(CC[N@H+](Cc3nc4cc(F)ccc4o3)C2)C1
323004199	ZINC000126699869	ref	6.79	-8.62	0	215.362	2.385	0	2	3	CS[C@H](C)CC(=O)N1CC[C@@H](C)[C@@H]1C
365620643	ZINC000336541695	low	6.66	-104.42	2	289.354	2.495	2	2	2	C[NH+]1CC[C@]2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)C1
342081694	ZINC000625328403	mid	6.24	-43.65	1	290.367	1.934	1	5	6	COCc1ccc([C@H]2CCC[N@H+]2CCc2cn(C)nn2)o1
197595705	ZINC000162837112	ref	3.49	-21.8	0	313.423	1.755	1	5	6	CCCCn1ncc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)c1C
214189067	ZINC000278493530	mid	5.86	-39.53	1	319.38	2.535	2	4	5	C[C@@H](O)[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1
214189070	ZINC000278492477	ref	8.24	-23.1	0	315.329	1.942	1	5	5	Cc1ccn(CC(=O)N[C@@H](C)c2ccccc2[N+](=O)[O-])c(=O)c1
214189074	ZINC000278492803	ref	4.16	-8.8	0	308.179	2.406	1	4	3	Cn1ncc(Br)c1CN[C@@H]1COc2ccccc21
222609101	ZINC000222555306	ref	9.34	-14.48	0	388.533	4.105	1	3	7	Cc1cc(C)c(NC(=O)CCCN(c2ccccc2C)S(C)(=O)=O)c(C)c1
262839962	ZINC000399583943	ref	3.65	-38.94	1	235.331	1.37	2	2	4	Cc1cnccc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+]
342081695	ZINC000625328403	high	4.06	-11.13	0	290.367	1.934	0	6	6	COCc1ccc([C@H]2CCCN2CCc2cn(C)nn2)o1
342081696	ZINC000625328736	ref	4.78	-38.62	1	299.411	1.453	1	4	4	C1CC(OCC[N@@H+]2CCOC3(CCOCC3)CC2)CCO1
342081697	ZINC000625328736	mid	2.72	-4.27	0	299.411	1.453	1	4	4	C1CC(OCC[N@H+]2CCOC3(CCOCC3)CC2)CCO1
342081698	ZINC000625328736	high	2.72	-4.27	0	299.411	1.453	0	5	4	C1CC(OCCN2CCOC3(CCOCC3)CC2)CCO1
342081699	ZINC000625328286	ref	6.0	-36.23	1	271.401	1.93	1	3	6	COC[C@@H]1CCCC[N@H+](CCOC2CCOCC2)C1
342081700	ZINC000625328286	mid	6.11	-36.25	1	271.401	1.93	1	3	6	COC[C@@H]1CCCC[N@@H+](CCOC2CCOCC2)C1
342081701	ZINC000625328625	ref	4.5	-10.37	0	271.386	1.784	1	4	7	C=CC(C)(C)CCNS(=O)(=O)c1cncn1CC
342081702	ZINC000625328507	ref	3.79	-12.29	0	283.397	1.71	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cnc2n1CCC2
342081703	ZINC000625322424	ref	-0.14	-8.09	0	273.336	1.617	2	5	6	COc1cncc(CN[C@H](CO)c2ccccc2C)n1
342081704	ZINC000625322424	mid	1.07	-44.65	1	273.336	1.617	2	4	6	COc1cncc(C[NH2+][C@H](CO)c2ccccc2C)n1
342081705	ZINC000625328439	ref	4.48	-10.41	0	264.251	1.648	1	3	4	CCN(C)C(=O)NC[C@@H](n1cccn1)C(F)(F)F
342081706	ZINC000625328617	ref	1.34	-11.04	0	279.402	1.171	1	4	11	C=CC(C)(C)CCNS(=O)(=O)CCOCCOC
342081707	ZINC000625328115	ref	2.26	-11.74	0	261.387	1.545	1	3	7	C=CC(C)(C)CCNS(=O)(=O)C[C@H]1CCOC1
342081708	ZINC000625328192	ref	1.41	-8.5	0	291.351	1.055	0	6	4	COc1cncc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)n1
342081709	ZINC000625328260	ref	2.1	-38.56	1	271.382	1.567	2	4	7	OC[C@@H]([NH2+]CCOC1CCOCC1)c1ccsc1
342081710	ZINC000625328260	high	0.93	-6.5	0	271.382	1.567	2	5	7	OC[C@@H](NCCOC1CCOCC1)c1ccsc1
365620603	ZINC000641589683	ref	4.93	-11.68	0	261.296	1.449	1	2	1	O=C([C@@H]1CCc2cc(F)ccc21)N1C[C@H]2C[C@@]2(O)C1
178305119	ZINC000237282718	ref	4.16	-45.73	1	356.422	1.649	2	4	5	COc1ccc(OC)c2c1CN(C(=O)[C@H]([NH3+])Cc1ccccc1)C[C@@H]2O
178305121	ZINC000237282718	mid	3.82	-10.42	0	356.422	1.649	2	5	5	COc1ccc(OC)c2c1CN(C(=O)[C@H](N)Cc1ccccc1)C[C@@H]2O
365620609	ZINC000641589418	ref	5.53	-14.31	0	275.348	1.493	1	3	4	Cc1cccc(CO[C@H](C)C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
365620620	ZINC000479699127	ref	3.47	-15.05	0	277.368	1.282	2	3	4	C[C@@H](Cc1ccncc1)NC(=O)N1C[C@@H](C)[C@H](CO)C1
365620651	ZINC000479701633	ref	3.06	-35.3	1	271.405	1.184	3	2	7	CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(=O)NC(C)(C)C
306234490	ZINC000557847905	mid	4.01	-50.8	1	331.42	1.332	4	3	4	C[C@H](O)C[NH+]1CCN(C(=O)N[C@@H](C)c2ccc3n[nH]cc3c2)CC1
365620660	ZINC000479701633	high	2.12	-8.08	0	271.405	1.184	3	3	7	CCC[C@@H](NC(C)C)C(=O)NCC(=O)NC(C)(C)C
306234491	ZINC000557846929	ref	4.84	-8.57	0	333.413	1.765	2	5	4	COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H]1CCCSC1
365620666	ZINC000641589685	ref	4.93	-11.79	0	261.296	1.449	1	2	1	O=C([C@@H]1CCc2cc(F)ccc21)N1C[C@@H]2C[C@]2(O)C1
365620680	ZINC000641589707	ref	5.86	-11.45	0	271.36	1.948	1	2	2	CC1(C)C[C@]1(C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccccc1
282123504	ZINC000357280291	ref	5.59	-41.24	1	335.492	2.776	4	2	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C
282123508	ZINC000357280291	high	3.92	-9.33	0	335.492	2.776	3	3	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@H](c1ccccc1)N(C)C
282123509	ZINC000338134503	ref	3.33	-9.21	0	284.444	2.909	3	2	6	CCC(CC)(CO)CNC(=O)NC1[C@H](C)CCC[C@H]1C
282123510	ZINC000342084925	ref	3.06	-9.76	0	270.417	2.521	3	2	7	CCC(CC)(CO)CNC(=O)NC[C@H]1CCC[C@H]1C
365620686	ZINC000479698008	ref	5.92	-41.55	1	285.432	1.831	3	2	7	C[C@@H](C[NH+](C)C)NC(=O)NCCO[C@@H]1CCCC[C@H]1C
365620700	ZINC000479698008	high	3.31	-7.48	0	285.432	1.831	2	3	7	C[C@@H](CN(C)C)NC(=O)NCCO[C@@H]1CCCC[C@H]1C
178305123	ZINC000237280319	ref	5.87	-44.32	1	368.231	1.113	1	3	6	C[NH2+]CCN(C)C(=O)CCN1C(=O)c2ccc(Br)cc2C1=O
365620709	ZINC000641589254	ref	3.39	-10.23	0	263.341	1.349	2	3	5	CCCCCc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)[nH]n1
365620717	ZINC000641589254	mid	3.54	-11.18	0	263.341	1.349	2	3	5	CCCCCc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)n[nH]1
365620729	ZINC000479697900	ref	3.67	-8.05	0	268.401	1.792	1	3	4	CC[C@@H]1CC[C@@H](NC(=O)[C@@H](C)N2CCOCC2)CC1
398245961	ZINC000649443850	ref	5.3	-8.23	0	223.226	2.728	0	3	2	Cc1c(-c2cncc(C(F)F)c2)cnn1C
282123507	ZINC000370195764	ref	5.06	-40.87	1	283.294	0.863	1	2	3	CN(CC(F)(F)F)C(=O)N1CCO[C@H](C[NH+](C)C)C1
282123511	ZINC000370195764	high	2.51	-11.53	0	283.294	0.863	0	3	3	CN(C)C[C@@H]1CN(C(=O)N(C)CC(F)(F)F)CCO1
282123512	ZINC000490225470	ref	8.05	-38.7	1	335.492	2.031	2	2	4	C[NH+](C)C[C@@H]1CN(C(=O)NCC2C3CC4CC(C3)CC2C4)CCO1
342597513	ZINC000616981270	ref	3.66	-6.76	0	255.406	1.269	0	3	5	CC[C@H](C)N(CC)C(=O)[C@@H](C)N1CCN(C)CC1
361822753	ZINC000351630904	ref	1.61	-19.02	0	293.277	1.08	2	4	3	O=C(CN1CCc2nn[nH]c2C1)Nc1ccc(F)c(F)c1
342597514	ZINC000616981270	mid	6.02	-36.38	1	255.406	1.269	1	2	5	CC[C@H](C)N(CC)C(=O)[C@@H](C)N1CC[NH+](C)CC1
282123516	ZINC000490225470	high	5.59	-8.2	0	335.492	2.031	1	3	4	CN(C)C[C@@H]1CN(C(=O)NCC2C3CC4CC(C3)CC2C4)CCO1
185089696	ZINC000096076002	mid	7.63	-46.67	1	285.391	2.09	1	2	3	Cc1ccc(C(=O)N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)cn1
342597515	ZINC000616981270	low	5.92	-32.43	1	255.406	1.269	1	2	5	CC[C@H](C)N(CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1
361822759	ZINC000351630904	mid	1.58	-16.6	0	293.277	1.08	2	4	3	O=C(CN1CCc2n[nH]nc2C1)Nc1ccc(F)c(F)c1
342597516	ZINC000590798520	ref	9.47	-102.77	2	292.427	1.952	3	1	7	Cc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1
361822765	ZINC000351629925	ref	4.51	-24.41	0	279.402	1.083	0	4	8	CCCCO[C@@H](C)C(=O)N(C)[C@@H](C)CS(C)(=O)=O
361822773	ZINC000351630617	ref	3.71	-18.93	0	293.348	1.085	1	4	4	CN(Cc1cc[nH]n1)C(=O)c1ccccc1S(C)(=O)=O
361822783	ZINC000351631573	ref	4.92	-11.81	0	280.416	1.165	0	4	7	CCN(CC)C(=O)CN1CCN([C@H](C)CCC#N)CC1
361822789	ZINC000351631573	mid	6.85	-50.15	1	280.416	1.165	1	3	7	CCN(CC)C(=O)CN1CC[NH+]([C@H](C)CCC#N)CC1
361822793	ZINC000351631573	low	7.05	-44.44	1	280.416	1.165	1	3	7	CCN(CC)C(=O)C[NH+]1CCN([C@H](C)CCC#N)CC1
361822798	ZINC000351633592	ref	6.36	-100.14	2	267.417	1.448	3	1	5	C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(N)=O)CC1
361822802	ZINC000351633592	mid	6.15	-104.83	2	267.417	1.448	3	1	5	C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(N)=O)CC1
361822807	ZINC000351633592	mid	3.95	-39.04	1	267.417	1.448	2	2	5	C[N@@H+]1CCCC[C@H]1CCN1CCC(CC(N)=O)CC1
361822811	ZINC000351633592	mid	3.77	-37.23	1	267.417	1.448	2	2	5	C[N@H+]1CCCC[C@H]1CCN1CCC(CC(N)=O)CC1
361822815	ZINC000351633592	mid	4.05	-39.47	1	267.417	1.448	2	2	5	CN1CCCC[C@H]1CC[NH+]1CCC(CC(N)=O)CC1
361822820	ZINC000351630900	ref	2.06	-7.89	0	294.326	1.885	3	3	5	C/C=C\C[C@H](CO)NC(=O)N[C@H]1COc2ccc(F)cc21
342597517	ZINC000590798520	high	7.03	-49.67	1	292.427	1.952	2	2	7	Cc1cccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)c1
214189069	ZINC000293629131	high	0.25	-52.71	-1	357.407	0.977	2	4	5	C[N-]S(=O)(=O)c1cc(NC(=O)C(=O)NC2(C(C)C)CC2)ccc1F
178305127	ZINC000237273119	ref	3.25	-49.91	1	368.286	1.34	2	3	8	C[NH2+]CCN(C)C(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl
214189072	ZINC000293620684	ref	5.23	-22.64	0	351.794	0.172	2	6	7	Cn1cnn(CCC(=O)NCCNC(=O)c2ccccc2Cl)c1=O
342597518	ZINC000590798520	high	4.55	-8.74	0	292.427	1.952	1	3	7	Cc1cccc(NC(=O)N(CCN(C)C)CCN(C)C)c1
342597519	ZINC000590799659	ref	6.7	-15.0	0	271.324	1.569	1	4	2	O=C(Nc1ccncc1)N1CCC[C@@H](n2ccnc2)C1
365620623	ZINC000354676615	ref	9.21	-46.29	1	282.453	1.93	1	2	5	C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1
178305130	ZINC000237273119	high	2.95	-69.96	0	368.286	1.34	1	3	8	C[NH2+]CCN(C)C(=O)CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl
342597520	ZINC000590799659	low	7.41	-39.67	1	271.324	1.569	1	3	2	O=C(Nc1ccncc1)N1CCC[C@@H](n2cc[nH+]c2)C1
214189078	ZINC000293618787	ref	2.68	-11.55	0	373.409	0.886	2	5	1	CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[C@@H](O)C34CCCC4)cc21
185089697	ZINC000096076002	high	4.57	-10.69	0	285.391	2.09	0	3	3	Cc1ccc(C(=O)N2CC[C@@]3(CCN3CC3CC3)C2)cn1
282123513	ZINC000357280293	ref	5.95	-42.19	1	335.492	2.776	4	2	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C
214189081	ZINC000293620820	ref	2.24	-13.32	0	373.413	0.67	2	7	7	Cn1ncc(CCCNC(=O)C(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)n1
214189087	ZINC000293621237	ref	3.75	-13.6	0	360.317	0.791	1	5	2	N#Cc1ccsc1NC(=O)C(=O)N1CCN(CC(F)(F)F)C(=O)C1
178305132	ZINC000237272561	ref	4.49	-46.3	1	359.264	1.879	2	3	10	COCC[NH2+]CCNC(=O)CCOc1ccc(C)cc1Br
178305135	ZINC000237272561	high	3.15	-9.09	0	359.264	1.879	2	4	10	COCCNCCNC(=O)CCOc1ccc(C)cc1Br
214190483	ZINC000278494772	ref	6.45	-38.47	1	302.374	1.83	1	3	5	C[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCCO1
178305138	ZINC000237273273	ref	4.33	-49.28	1	355.504	1.33	2	3	8	C[NH2+]CCN(C)C(=O)CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1
342597521	ZINC000308380216	ref	6.76	-7.65	0	282.347	1.91	1	5	6	CCc1nc(C#N)cc(N(CCO)Cc2ccccc2)n1
178305142	ZINC000237274387	ref	6.75	-50.69	1	361.486	1.875	1	3	8	COc1ccc(CN2C[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2=O)cc1
398245963	ZINC000649444091	ref	3.95	-4.8	0	233.218	2.86	1	3	1	Cc1cc(-c2cc(C(F)(F)F)[nH]n2)sn1
342597522	ZINC000590799821	ref	5.73	-48.66	-1	292.368	1.334	0	5	1	Cc1n[n-]c(=NC(=O)N2CCC[C@@H](n3ccnc3)C2)s1
365620625	ZINC000623044188	ref	0.65	-15.37	0	321.333	1.463	2	7	7	COc1cc(CCCNC(=O)c2nc(C)no2)cc(OC)c1O
365620638	ZINC000623042399	ref	6.07	-18.81	0	322.43	1.122	1	4	4	O=C(CN1CCCC[C@@H](O)C1=O)N1CC(Cc2ccsc2)C1
365620654	ZINC000623042412	ref	4.73	-49.77	-1	308.432	1.307	0	5	4	CN=c1[n-]nc(CC(=O)N2CC(Cc3ccsc3)C2)s1
365620663	ZINC000623042412	low	4.83	-14.87	0	308.432	1.307	1	5	4	CN=c1[nH]nc(CC(=O)N2CC(Cc3ccsc3)C2)s1
342597523	ZINC000590799821	low	6.44	-56.25	0	292.368	1.334	0	4	1	Cc1n[n-]c(=NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)s1
197595719	ZINC000290103682	ref	10.5	-18.58	0	299.334	2.657	0	7	6	C=CCn1c(-c2ccc(C)o2)nnc1N(C)Cc1ccon1
365620674	ZINC000623042752	ref	3.94	-26.82	0	301.433	1.572	0	4	4	CC(C)(C(=O)N1CC(Cc2ccsc2)C1)S(C)(=O)=O
342597524	ZINC000590799368	ref	6.57	-9.99	0	281.319	1.412	1	5	2	Cc1nc(C(=O)N[C@@H]2CCc3cc(C#N)ccc32)n(C)n1
365620687	ZINC000623042879	ref	7.37	-18.14	0	306.387	1.286	0	4	4	C[C@@H](C(=O)N1CC(Cc2ccsc2)C1)N1C(=O)CCC1=O
282123514	ZINC000357280293	high	3.25	-10.4	0	335.492	2.776	3	3	9	CCC(CC)(CO)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1)N(C)C
365620697	ZINC000623042829	ref	3.75	-21.99	0	313.357	1.599	2	3	2	CC(=O)N1CC[C@@H](NC(=O)c2[nH]c(=O)c3ccccc3c2C)C1
282123515	ZINC000497025410	ref	4.0	-15.5	0	328.453	2.253	1	4	5	CCC(CC)(CO)C(=O)N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1
365620705	ZINC000623042839	ref	5.59	-19.48	0	315.417	1.565	1	3	4	CC(=O)N1CC[C@@H](NC(=O)C[C@H](C)N2CCc3ccccc32)C1
342597525	ZINC000616984527	ref	5.83	-14.56	0	297.399	1.744	1	3	7	CC[C@H](C)N(CC)C(=O)CCCN1C(=O)NC(C)(C)C1=O
197595729	ZINC000290100628	ref	7.63	-8.04	0	298.39	3.119	0	5	3	Cn1ncc2c1C[C@H](c1nc(CC3=CCCCC3)no1)CC2
365620720	ZINC000623042591	ref	4.81	-12.95	0	307.419	1.54	1	3	3	NC(=O)N1CCC[C@H](C(=O)N2CC(Cc3ccsc3)C2)C1
282123519	ZINC000301578594	ref	3.87	-14.57	0	274.361	2.236	1	4	6	CCC(CC)(CNc1ncccc1F)S(C)(=O)=O
282123522	ZINC000305252934	ref	5.85	-11.98	0	346.471	2.437	2	3	7	CCC(CC)(CO)CNC(=O)C[C@@H]1c2ccccc2CCN1C(C)=O
342597526	ZINC000590799625	ref	5.01	-46.65	-1	278.341	1.026	0	5	1	O=C(N=c1[n-]ncs1)N1CCC[C@@H](n2ccnc2)C1
342597527	ZINC000590799625	low	5.72	-54.6	0	278.341	1.026	0	4	1	O=C(N=c1[n-]ncs1)N1CCC[C@@H](n2cc[nH+]c2)C1
214189075	ZINC000053575528	ref	9.5	-15.55	0	334.449	2.226	1	7	6	C=CCn1cnnc1SCC(=O)Nc1cc(C(C)(C)C)nn1C
214189082	ZINC000053573450	ref	4.04	-16.72	0	338.429	1.622	1	4	5	CC(C)c1ccc([C@]2(C)NC(=O)N(CCS(C)(=O)=O)C2=O)cc1
214189088	ZINC000053577166	ref	6.75	-13.93	0	334.38	-0.591	1	7	3	CCCC(=O)N1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2C)CC1
214189092	ZINC000053569655	ref	7.84	-48.73	1	327.428	2.352	2	2	3	O=C(c1ccc2cc[nH]c2c1)N1CCC(C[NH+]2CCOCC2)CC1
342081711	ZINC000625322281	ref	1.64	-13.62	0	251.286	1.303	1	5	4	CC(=O)NC[C@@H]1CC[C@H](c2nc(C3CC3)no2)O1
342081712	ZINC000625328306	ref	7.61	-30.05	1	281.396	1.871	1	3	6	CCO[C@H](C[N@@H+]1CCOC[C@H]1[C@H]1CCCC1=O)C1CC1
349535519	ZINC000621494811	ref	9.46	-11.51	0	296.361	3.49	1	1	5	Cc1cccc(CN(C)C(=O)NCC[C@@H]2CC2(F)F)c1C
214189096	ZINC000053569655	mid	5.78	-12.21	0	327.428	2.352	1	3	3	O=C(c1ccc2cc[nH]c2c1)N1CCC(CN2CCOCC2)CC1
214189100	ZINC000053574412	ref	6.64	-12.76	0	329.36	2.162	2	6	7	CCc1cc(NCCC(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)n1
398245965	ZINC000649444091	mid	3.94	-6.62	0	233.218	2.86	1	3	1	Cc1cc(-c2cc(C(F)(F)F)n[nH]2)sn1
342081713	ZINC000625328306	mid	6.94	-40.5	1	281.396	1.871	1	3	6	CCO[C@H](C[N@H+]1CCOC[C@H]1[C@H]1CCCC1=O)C1CC1
342081714	ZINC000625328306	mid	5.39	-5.63	0	281.396	1.871	0	4	6	CCO[C@H](CN1CCOC[C@H]1[C@H]1CCCC1=O)C1CC1
214189103	ZINC000053574412	low	6.91	-40.26	1	329.36	2.162	2	5	7	CCc1cc(NCCC(=O)NC)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1
214189107	ZINC000053555940	ref	9.05	-17.67	0	338.31	2.051	0	4	4	O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@H]2C[C@@H]2[N+](=O)[O-])CC1
214189111	ZINC000053555940	mid	10.09	-23.85	0	338.31	2.051	0	4	4	O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@H]2CC2[N+](=O)[O-])CC1
214189115	ZINC000053575604	ref	8.22	-17.06	0	337.379	1.687	0	4	5	Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)CCc1ccccn1)C2=O
214189119	ZINC000053578279	ref	8.36	-13.44	0	340.448	3.822	2	3	2	S=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21
398245968	ZINC000649444106	ref	4.28	-5.7	0	203.241	2.439	1	2	1	C=C(C)c1ccc2c(c1)NC(=O)[C@H](C)O2
136229401	ZINC000106883832	mid	2.67	-51.38	1	241.291	-0.281	3	3	5	C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCOC1
342081715	ZINC000032393272	ref	4.54	-9.12	0	278.352	1.806	2	3	6	CC(C)[C@H](NC(=O)c1ccco1)C(=O)NC[C@@H]1C[C@@H]1C
168366307	ZINC000063024735	ref	1.26	-35.98	1	137.186	0.366	1	2	2	C[C@@H]([NH3+])Cc1ncccn1
365620630	ZINC000354676615	mid	9.22	-46.21	1	282.453	1.93	1	2	5	C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2CCSC2)C1
178290874	ZINC000236979724	ref	4.62	-47.12	1	365.499	1.584	2	3	9	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H](C[NH3+])C2CC2)cc1
178290879	ZINC000236970323	ref	7.06	-41.29	1	373.497	1.735	2	3	7	CCOc1ccc(CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1
342081716	ZINC000625322113	ref	2.89	-9.41	0	261.329	1.921	1	6	5	C[C@H](NCc1noc(C2CCC2)n1)c1cnn(C)c1
342081717	ZINC000625328695	ref	3.47	-14.28	0	296.411	1.219	1	4	4	CC(C)(C)CNC(=O)CN1CCOC[C@H]1[C@@H]1CCCC1=O
342081718	ZINC000625328393	ref	-1.84	-7.86	0	263.297	1.291	2	6	7	COc1cncc(CN[C@H](CCO)c2ccco2)n1
342081719	ZINC000625328393	low	-0.8	-42.38	1	263.297	1.291	2	5	7	COc1cncc(C[NH2+][C@H](CCO)c2ccco2)n1
214189076	ZINC000278492803	low	5.35	-47.6	1	308.179	2.406	1	3	3	Cn1ncc(Br)c1C[NH2+][C@@H]1COc2ccccc21
214189080	ZINC000278492895	ref	0.85	-7.28	0	318.215	1.156	1	5	5	Cn1ncc(Br)c1CN1CCC[C@@H](OCCO)C1
214189084	ZINC000278492895	low	3.33	-39.06	1	318.215	1.156	2	4	5	Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](OCCO)C1
178290894	ZINC000236968157	ref	4.47	-48.53	1	367.515	1.979	1	3	6	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1C
178290898	ZINC000236984172	ref	7.48	-38.29	1	362.47	1.923	2	4	8	CCOc1ccc(C[C@@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C(=O)OC)cc1
178290902	ZINC000236969247	ref	4.32	-41.63	1	353.488	1.589	1	3	6	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@H]2C[NH3+])ccc1C
214189085	ZINC000278492895	low	3.08	-39.45	1	318.215	1.156	2	4	5	Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](OCCO)C1
342081720	ZINC000625328193	ref	0.5	-7.75	0	291.351	1.055	0	6	4	COc1cncc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)n1
342081721	ZINC000625328533	ref	2.42	-10.78	0	261.387	1.686	1	3	6	C=CC(C)(C)CCNS(=O)(=O)[C@H]1CCO[C@H]1C
342081722	ZINC000625328137	ref	2.68	-10.98	0	263.403	1.791	1	3	9	C=CC(C)(C)CCNS(=O)(=O)C[C@H](C)COC
342081723	ZINC000625322431	ref	1.32	-38.11	1	271.401	1.183	4	3	7	OC[C@@H]([NH2+]C[C@H](O)CC1(O)CCC1)C1CCCCC1
342081724	ZINC000625322428	ref	0.03	-37.8	1	271.401	1.183	4	3	7	OC[C@H]([NH2+]C[C@@H](O)CC1(O)CCC1)C1CCCCC1
342081725	ZINC000608871488	ref	4.17	-10.49	0	283.259	1.587	2	4	4	CC(=O)NC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cc1F
342081726	ZINC000625322540	ref	1.0	-39.11	1	265.313	1.063	2	4	5	C=CC[NH+]1CCC(NC(=O)c2coc(OC)n2)CC1
342081727	ZINC000625322540	high	-1.38	-6.91	0	265.313	1.063	1	5	5	C=CCN1CCC(NC(=O)c2coc(OC)n2)CC1
342597528	ZINC000590798564	ref	2.77	-13.47	0	267.354	1.524	3	4	4	O=C(NC[C@H](O)C1CC1)Nc1nc2c(s1)CCC2
342597529	ZINC000590799324	ref	4.5	-11.82	0	283.353	1.946	2	5	6	C=C(CC)CNC(=O)Nc1nc(CC(=O)OC)cs1
222609102	ZINC000125794835	ref	4.41	-7.71	0	333.35	2.599	1	4	9	COc1ccccc1COC[C@H](O)CN(CC(F)(F)F)C1CC1
342597530	ZINC000590811973	ref	5.94	-45.32	1	298.427	1.559	1	3	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)OC[C@H]2CCCO2)C1
136229402	ZINC000195258656	ref	6.07	-50.02	1	236.359	1.49	1	1	2	C[C@@H]1CC[C@H](CC(=O)N2C[C@@H]3C[NH2+]C[C@@H]3C2)C1
342597531	ZINC000616981224	ref	6.5	-35.41	1	255.406	1.271	1	2	6	CC[C@@H](C)N(CC)C(=O)CN1CC[NH+](CC)CC1
282123517	ZINC000117032281	ref	4.76	-39.8	1	312.414	-0.029	2	3	4	C[NH+](C)C[C@@H]1CN(C(=O)NCC(=O)N2CCCCC2)CCO1
230233781	ZINC000331055234	low	1.19	-51.92	1	285.3	-1.463	3	5	4	CCOC(=O)[C@](C)(O)C[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1
342597532	ZINC000616981224	mid	4.22	-7.51	0	255.406	1.271	0	3	6	CC[C@@H](C)N(CC)C(=O)CN1CCN(CC)CC1
342597533	ZINC000590812539	ref	5.61	-41.0	1	264.373	1.331	1	3	3	Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)nn1C
342597534	ZINC000590798789	ref	4.45	-15.15	0	299.33	1.976	2	3	2	O=C1NC(=O)c2cc(NC(=O)N3CCC[C@H]3C3CC3)ccc21
342597535	ZINC000590798789	high	2.64	-55.69	-1	299.33	1.976	1	3	2	O=C1[N-]C(=O)c2cc(NC(=O)N3CCC[C@H]3C3CC3)ccc21
214189089	ZINC000278493186	ref	7.66	-4.67	0	321.396	2.977	1	3	5	CC(C)CCN(C(=O)C(=O)Nc1ccc(F)cn1)C1CCCC1
342597536	ZINC000590798906	ref	3.54	-12.88	0	293.295	1.635	2	5	5	COC(=O)Cc1csc(NC(=O)NCC(C)(F)F)n1
230233788	ZINC000331055234	low	1.51	-52.53	1	285.3	-1.463	3	5	4	CCOC(=O)[C@](C)(O)C[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1
342597537	ZINC000616981225	ref	6.62	-35.39	1	255.406	1.271	1	2	6	CC[C@H](C)N(CC)C(=O)CN1CC[NH+](CC)CC1
136229403	ZINC000293019335	ref	3.89	-7.29	0	219.288	1.963	0	4	4	CC#CCN(C)[C@@H](C)c1nc(C2CC2)no1
136229404	ZINC000293013706	ref	5.56	-3.8	0	217.259	2.503	1	1	4	C=CCC(F)(F)C(=O)N[C@@H]1CCC[C@H]1C
230233792	ZINC000331055234	high	-2.02	-43.68	-1	285.3	-1.463	1	6	4	CCOC(=O)[C@](C)(O)CN1CCN2C(=O)[N-]C(=O)[C@H]2C1
230233798	ZINC000331124745	ref	-1.51	-16.24	0	293.389	-1.285	1	5	6	C[C@H](C(=O)N(C)C)S(=O)(=O)NCCN1CCOCC1
230233806	ZINC000331111033	ref	1.2	-17.01	0	285.3	-1.199	1	5	4	CO[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)C[C@H]1OC
230233813	ZINC000331118488	ref	-0.58	-11.36	0	271.317	-1.125	2	4	4	CC(=O)NCC(=O)NCC(=O)N1CCO[C@H](C)[C@H]1C
230233823	ZINC000331050218	ref	0.45	-14.72	0	284.36	-1.257	1	4	5	CCN(C)C(=O)[C@@H](C)NC(=O)CN1CCN(C)C(=O)C1
342081728	ZINC000625328153	ref	2.69	-10.7	0	263.403	1.935	1	3	10	C=CC(C)(C)CCNS(=O)(=O)CCCCOC
342081729	ZINC000625328114	ref	2.27	-10.91	0	261.387	1.545	1	3	7	C=CC(C)(C)CCNS(=O)(=O)C[C@@H]1CCOC1
168364969	ZINC000368499280	ref	6.88	-51.81	1	328.412	3.149	2	3	5	COc1cccc2cc([C@H](C)[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)oc12
365620637	ZINC000354676723	ref	3.02	-13.27	0	290.319	1.314	1	4	5	COC[C@@H](C(N)=O)N(C)C(=O)c1oc2ccccc2c1C
365620642	ZINC000354676592	ref	4.28	-4.95	0	282.384	1.173	1	3	1	C[C@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@H]2CCO[C@H]2C)[C@H]1C
365620655	ZINC000354677756	ref	4.69	-8.5	0	288.376	1.496	0	5	3	O=C(c1cncnc1)N1CCN(Cc2cccs2)CC1
342081730	ZINC000625328535	ref	1.91	-11.53	0	261.387	1.686	1	3	6	C=CC(C)(C)CCNS(=O)(=O)[C@@H]1CCO[C@H]1C
214189090	ZINC000337630786	ref	5.48	-21.79	0	292.364	0.766	1	5	6	C[S@](=O)CCCNC(=O)c1ccc(-n2cncn2)cc1
342081731	ZINC000625328469	ref	2.75	-10.37	0	263.403	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)[C@@H](C)CCOC
365620667	ZINC000354677756	low	6.89	-47.93	1	288.376	1.496	1	4	3	O=C(c1cncnc1)N1CC[NH+](Cc2cccs2)CC1
365620677	ZINC000354677154	ref	4.09	-12.67	0	289.326	1.777	1	4	7	COC[C@H](C)CNC(=O)c1c(C)nn(CC(F)F)c1C
342081732	ZINC000625328722	ref	2.7	-9.82	0	267.354	1.108	0	6	3	O=C1CCC[C@H]1[C@@H]1COCCN1Cc1cnns1
342088465	ZINC000121480759	low	7.53	-40.78	1	283.331	1.555	1	3	4	Cn1c[nH+]cc1CCNC(=O)C1=Cc2ccccc2OC1
365620695	ZINC000354677435	ref	4.6	-5.6	0	299.367	1.196	1	5	7	C/C=C\C[C@H](NC(=O)C1(OC)CCOCC1)C(=O)OCC
282123700	ZINC000449156547	ref	4.93	-52.48	1	251.351	2.291	1	2	6	C[S@@](=O)CCC[NH2+]Cc1cccc2ccoc12
342088466	ZINC000121505739	ref	6.76	-36.39	1	275.396	1.723	1	2	5	CN(CCN(C)c1ccccc1)C(=O)[C@]1(C)CCC[NH2+]1
342088467	ZINC000121405816	ref	7.43	-38.95	1	278.4	1.342	2	3	5	CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCc1cncn1C
365620710	ZINC000354678797	ref	3.89	-14.18	0	298.305	1.184	1	4	7	CCOC(=O)[C@H](C)CNC(=O)[C@H](C)N(C)CC(F)(F)F
365620721	ZINC000354675860	ref	8.64	-25.21	0	298.306	1.064	1	7	5	Cn1cc(C(=O)CCC(=O)Nc2nnc3ccccn23)cn1
214189094	ZINC000337631340	ref	6.14	-25.84	0	284.356	0.703	1	4	5	CCOC(=O)CC(=O)N1CCC[C@H](NC(=O)C(C)C)C1
262839963	ZINC000399583943	low	3.68	-98.9	2	235.331	1.37	2	1	4	Cc1c[nH+]ccc1NC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+]
342088468	ZINC000121405816	mid	7.51	-39.37	1	278.4	1.342	2	3	5	CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCc1cncn1C
365620735	ZINC000354676606	ref	3.92	-4.89	0	282.384	1.173	1	3	1	C[C@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@H]2CCO[C@@H]2C)[C@H]1C
342597538	ZINC000616981225	mid	4.34	-7.4	0	255.406	1.271	0	3	6	CC[C@H](C)N(CC)C(=O)CN1CCN(CC)CC1
222609105	ZINC000125793589	ref	5.53	-9.86	0	340.452	3.49	1	5	5	CCOc1ccc(-c2nc(CN3CCc4n[nH]cc4C3)cs2)cc1
293078791	ZINC000561317882	ref	1.25	-15.36	0	277.349	1.706	2	5	5	C[C@H](CNC(=O)Cc1cncc(O)c1)c1nccs1
342597539	ZINC000616980879	ref	5.99	-17.96	0	253.35	1.443	0	5	6	CC[C@@H](C)N(CC)C(=O)Cn1nnnc1C(C)C
214189091	ZINC000293629361	ref	6.71	-92.51	2	363.506	0.937	4	3	10	C[C@@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)C[NH+](C)C)c1)C[NH+](C)C
178290906	ZINC000236967232	ref	5.39	-56.33	-1	352.456	1.59	0	5	4	CCN1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)CC1
178290909	ZINC000236967232	low	7.76	-84.43	0	352.456	1.59	1	4	4	CC[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCCC3)CC1
342597540	ZINC000590798933	ref	4.52	-12.65	0	283.353	1.946	2	5	6	C=C(C)CCNC(=O)Nc1nc(CC(=O)OC)cs1
342597541	ZINC000590812881	ref	4.44	-16.3	0	297.318	1.173	1	5	2	Cn1c(=O)[nH]c2cc(C(=O)N3CC(n4cccn4)C3)ccc21
342597542	ZINC000590798515	ref	5.76	-38.66	1	295.427	1.417	3	2	3	O=C(NCC1CCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
214189095	ZINC000293617951	ref	1.15	-13.14	0	362.426	0.869	3	5	8	COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1
178290911	ZINC000236984842	ref	4.32	-53.59	1	353.488	1.447	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1
178290912	ZINC000236973590	ref	6.51	-56.69	-1	351.428	1.758	1	6	8	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](C)Cn1cccn1
178290914	ZINC000236976642	ref	4.32	-47.65	1	353.488	1.964	2	3	6	CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)ccc1C
178290916	ZINC000236965310	ref	2.83	-52.34	1	361.895	1.838	2	3	7	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)NCC(C)(C)[NH3+])c1
178290918	ZINC000236969125	ref	6.59	-54.12	-1	351.794	1.781	1	7	7	CC[C@@H](C(=O)NC[C@H](C)C(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
342597543	ZINC000590798515	mid	3.61	-8.83	0	295.427	1.417	2	3	3	O=C(NCC1CCCC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
342597544	ZINC000590812424	ref	6.81	-47.88	1	291.395	1.227	1	3	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)CCn2ccccc2=O)C1
342597545	ZINC000616981271	ref	3.83	-7.67	0	255.406	1.269	0	3	5	CC[C@H](C)N(CC)C(=O)[C@H](C)N1CCN(C)CC1
342597546	ZINC000616981271	mid	6.21	-36.99	1	255.406	1.269	1	2	5	CC[C@H](C)N(CC)C(=O)[C@H](C)N1CC[NH+](C)CC1
342597547	ZINC000616981271	low	6.0	-31.48	1	255.406	1.269	1	2	5	CC[C@H](C)N(CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1
343994273	ZINC000599273062	ref	3.89	-9.69	0	266.37	1.665	2	4	5	CCN=c1[nH]cc(C(=O)N[C@@H](C#N)CC(C)C)s1
365620647	ZINC000336541629	ref	1.35	-13.34	0	296.367	2.167	0	4	2	C[C@H]1CN(Cc2nc3ccc(F)cc3o2)CC[S@@](=O)C1
343994279	ZINC000599271861	ref	6.95	-15.19	0	298.383	1.633	0	4	1	COC(=O)[C@@H]1CCCCCN1C(=O)N1C[C@H](C)O[C@H](C)C1
343994282	ZINC000248547688	ref	4.35	-35.81	1	256.39	1.553	2	2	7	CCOCCNC(=O)C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C
365620657	ZINC000336541266	ref	2.83	-13.78	0	252.314	2.035	2	4	3	CCc1noc(C)c1NC(=O)[C@@H]1CCC[C@H](O)C1
365620668	ZINC000336541609	ref	7.51	-15.18	0	293.432	2.161	0	2	3	CCc1cccc(CC(=O)N2CC[C@H](C)[S@](=O)CC2)c1
349535522	ZINC000621497800	ref	6.29	-9.79	0	274.355	3.3	2	1	4	C[C@@H]1CCC[C@@H](NC(=O)NCC[C@@H]2CC2(F)F)CC1
398245967	ZINC000390775169	ref	4.18	-59.61	1	220.263	1.1	1	1	3	CCCN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F
398245969	ZINC000390775169	high	2.85	-11.66	0	220.263	1.1	1	2	3	CCCN(C)C(=O)[C@@H]1CNCCC1(F)F
365620678	ZINC000336541255	ref	5.82	-12.44	0	283.393	2.134	0	3	2	CCc1oc(C(=O)N2CC[C@H](C)[S@](=O)CC2)cc1C
365620688	ZINC000336541588	ref	5.8	-18.08	0	271.426	2.038	0	2	1	C[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)CC[S@@]1=O
398245972	ZINC000650439190	ref	3.89	-10.82	0	237.278	2.199	2	2	4	C=CCNC(=O)Nc1cc(F)cc(N(C)C)c1
398245974	ZINC000650439019	ref	1.18	-13.83	0	241.316	1.306	3	4	4	CSc1cccnc1NC(=O)NC[C@@H](C)O
365620699	ZINC000336541059	ref	7.58	-13.68	0	293.432	2.297	0	2	3	Cc1ccc(CCC(=O)N2CC[C@H](C)[S@](=O)CC2)cc1
197595749	ZINC000162837808	ref	3.97	-14.61	0	317.842	2.417	1	5	2	CC(C)(C)c1nc(Cl)cc(NC2CCS(=O)(=O)CC2)n1
398245977	ZINC000650439465	ref	3.68	-15.04	0	243.257	1.869	1	3	4	Cc1cc(C(=O)NCCC(C)(F)F)c(C)nn1
398245980	ZINC000390773093	ref	3.27	-39.79	1	214.353	1.485	1	2	4	C[NH2+]CCCN1CC(C)(C)OCC1(C)C
342081733	ZINC000625329136	ref	2.2	-14.95	0	292.426	1.624	1	5	8	CO[C@H](CC(C)C)CS(=O)(=O)NCc1ccns1
282123518	ZINC000117032281	high	2.21	-9.41	0	312.414	-0.029	1	4	4	CN(C)C[C@@H]1CN(C(=O)NCC(=O)N2CCCCC2)CCO1
342081734	ZINC000625329136	high	1.8	-42.0	-1	292.426	1.624	0	5	8	CO[C@H](CC(C)C)CS(=O)(=O)[N-]Cc1ccns1
342081735	ZINC000625329367	ref	2.52	-12.33	0	297.302	1.482	1	4	7	C=CCCS(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F
342081736	ZINC000625329367	high	2.21	-39.91	-1	297.302	1.482	0	4	7	C=CCCS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F
342081737	ZINC000625329158	ref	4.68	-15.89	0	284.306	1.663	1	3	6	O=C(COCC(F)F)N[C@H]1CCN(c2ccccc2)C1
342081738	ZINC000625327541	ref	1.9	-36.72	1	278.356	1.471	2	5	5	NC(=O)[C@H]1CCCC[C@H]1NCc1noc(C2CCC2)n1
342081739	ZINC000625327541	low	1.9	-36.72	1	278.356	1.471	2	4	5	NC(=O)[C@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1
342081740	ZINC000625329189	ref	4.75	-29.86	1	296.415	1.565	1	5	9	CCN(Cc1noc(CCOC)n1)C[C@H]1CCC[N@@H+]1CC
342081741	ZINC000625329189	mid	3.6	-35.44	1	296.415	1.565	1	5	9	CCN(Cc1noc(CCOC)n1)C[C@H]1CCC[N@H+]1CC
365620664	ZINC000121829398	mid	9.09	-34.93	1	278.4	2.412	1	2	7	CCC[C@H]1C[C@@H]1NC(=O)N(C)CCCn1cc[nH+]c1C
365620673	ZINC000121822758	ref	3.69	-11.06	0	296.798	2.442	3	2	6	C[C@@H](CCO)NC(=O)NCC1(c2ccccc2Cl)CC1
214189097	ZINC000278491898	ref	7.37	-12.49	0	306.793	2.836	1	3	3	C[C@@H]1COCC[C@H]1NC(=O)Cn1ccc2ccc(Cl)cc21
365620685	ZINC000121827240	ref	3.93	-9.85	0	293.411	2.0	2	4	5	Cn1nc(C(C)(C)C)cc1C(=O)NCC1(CCO)CCC1
346818887	ZINC000611565898	low	6.23	-37.98	1	293.367	1.283	2	3	6	CCOC(=O)CCCNC(=O)[C@H]1CCc2[nH]c(C)[nH+]c2C1
342081742	ZINC000625329189	high	2.81	-4.72	0	296.415	1.565	0	6	9	CCN(Cc1noc(CCOC)n1)C[C@H]1CCCN1CC
342081743	ZINC000625328854	ref	1.94	-12.26	0	285.291	1.316	1	4	6	CCCS(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F
282123520	ZINC000351973498	ref	4.31	-40.46	1	256.346	0.202	1	3	4	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCOC2)CCO1
342081744	ZINC000625329149	ref	5.75	-13.75	0	250.342	1.305	1	2	5	O=C1CCCCN1CCCNC(=O)C12CC(C1)C2
342081745	ZINC000625329448	ref	3.12	-13.46	0	272.395	1.751	1	4	4	O=S(=O)(NCc1ccns1)[C@H]1C[C@@H]2CC[C@H]1C2
342081746	ZINC000625329437	ref	7.32	-39.34	1	281.444	1.805	1	2	8	CCN(CCCN1CCCC1=O)C[C@@H]1CCC[N@@H+]1CC
342081747	ZINC000625329437	mid	7.15	-32.8	1	281.444	1.805	1	2	8	CCN(CCCN1CCCC1=O)C[C@@H]1CCC[N@H+]1CC
214189102	ZINC000278492099	ref	6.66	-49.01	1	324.384	1.769	2	4	8	O=C1c2ccccc2C(=O)N1CC[NH2+]CCCNc1ccccn1
365620696	ZINC000121829580	ref	2.69	-12.07	0	272.239	2.055	3	4	2	O=C(Nc1ccc(O)cc1F)c1ccc2nc[nH]c2n1
192038051	ZINC000418463032	ref	4.61	-36.3	1	241.379	1.944	2	1	5	CCCC[C@H](C[NH3+])NC(=O)N1CC[C@H](C)[C@H]1C
342081748	ZINC000625329437	mid	7.24	-38.57	1	281.444	1.805	1	2	8	CCN1CCC[C@H]1C[N@H+](CC)CCCN1CCCC1=O
282123521	ZINC000351973498	high	1.75	-10.29	0	256.346	0.202	0	4	4	CN(C)C[C@@H]1CN(C(=O)C[C@H]2CCOC2)CCO1
342081749	ZINC000625329437	mid	7.19	-38.8	1	281.444	1.805	1	2	8	CCN1CCC[C@H]1C[N@@H+](CC)CCCN1CCCC1=O
346818893	ZINC000611565744	ref	4.17	-26.38	0	273.304	1.656	0	2	3	C[S@@](=O)Cc1cccc(C(=O)N2CC(F)(F)C2)c1
178290920	ZINC000236971866	ref	3.7	-58.55	1	373.906	1.852	2	3	6	CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CCC[NH2+]C2)ccc1Cl
178290922	ZINC000236981850	ref	6.37	-58.65	1	361.446	1.037	2	5	6	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)[C@@H](C)C[NH3+])cc(C(C)C)nc21
346818895	ZINC000067769724	ref	4.86	-8.84	0	250.323	2.571	0	4	4	CCc1nc(CN(C)C(=O)c2ccoc2)cs1
343994277	ZINC000139311408	ref	-3.09	-10.53	0	164.211	-0.209	1	4	1	NS(=O)(=O)c1ccsn1
290622943	ZINC000492525860	ref	3.28	-20.23	0	299.305	2.28	2	3	4	Cc1ccncc1/C=C\C(=O)Nc1cc(C(N)=O)ccc1F
178290925	ZINC000236971277	ref	3.19	-52.34	1	353.488	1.605	2	3	7	CCC[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
346818901	ZINC000067761154	ref	4.42	-8.75	0	279.365	2.661	2	4	4	Cc1ccsc1CNC(=O)NCc1c(C)noc1C
343994281	ZINC000139369083	ref	6.53	-31.63	1	176.263	1.923	1	1	2	C[C@H]1CC[N@H+](Cc2ccccn2)C1
290622946	ZINC000492525837	ref	5.96	-10.63	0	274.364	2.431	0	3	3	CC[C@@]1(C)COCCN1C(=O)/C=C\c1cnccc1C
342081750	ZINC000032412329	ref	4.65	-9.81	0	292.379	1.713	2	3	7	Cc1ccc(OCCC(=O)NCC(=O)NC(C)C)c(C)c1
365620675	ZINC000576531344	ref	3.86	-36.04	1	240.347	0.7	2	2	4	CC1C[NH+]([C@@H](C)C(=O)N2CCC[C@H]2CCO)C1
343994283	ZINC000139369083	mid	6.32	-31.45	1	176.263	1.923	1	1	2	C[C@H]1CC[N@@H+](Cc2ccccn2)C1
365620683	ZINC000576531344	mid	0.87	-12.51	0	240.347	0.7	1	3	4	CC1CN([C@@H](C)C(=O)N2CCC[C@H]2CCO)C1
222609119	ZINC000170625671	ref	8.85	-16.75	0	353.469	2.973	1	7	7	COC(=O)c1nc(NC(=O)[C@H](CCSC)n2cccc2)sc1C
342081751	ZINC000625329200	ref	8.08	-42.81	1	265.405	1.682	1	4	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)c1nncn1C
178290927	ZINC000236971277	high	2.85	-12.32	0	353.488	1.605	2	4	7	CCC[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
342081752	ZINC000625329200	mid	8.8	-38.72	1	265.405	1.682	1	4	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)c1nncn1C
342081753	ZINC000625329196	ref	7.1	-42.59	1	265.405	1.682	1	4	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)c1nncn1C
342081754	ZINC000625329196	mid	7.35	-43.78	1	265.405	1.682	1	4	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)c1nncn1C
342081755	ZINC000625329095	ref	4.52	-33.07	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@H](C)C1)C[C@@H]1CCC[N@@H+]1CC
342081756	ZINC000625329095	mid	4.33	-31.04	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@H](C)C1)C[C@@H]1CCC[N@H+]1CC
342081757	ZINC000625329095	low	6.97	-90.17	2	283.46	1.513	2	2	7	CCN(CC[N@@H+]1CCO[C@H](C)C1)C[C@@H]1CCC[NH+]1CC
342081758	ZINC000625329095	low	6.95	-89.47	2	283.46	1.513	2	2	7	CCN(CC[N@H+]1CCO[C@H](C)C1)C[C@@H]1CCC[NH+]1CC
342081759	ZINC000625329095	low	6.98	-90.16	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@H](C)C1)C[C@@H]1CCC[N@@H+]1CC
199273140	ZINC000181265557	high	6.39	-48.71	-1	307.419	2.63	0	4	3	CC(C)(C)Sc1cc(C(=O)[N-]N2CCCCC2=O)ccn1
342081760	ZINC000625329095	low	6.79	-91.83	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@H](C)C1)C[C@@H]1CCC[N@H+]1CC
282123523	ZINC000363514899	ref	8.46	-103.26	2	339.439	2.432	2	2	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)c2ccccc2O1
282123525	ZINC000363514899	high	5.89	-48.89	1	339.439	2.432	1	3	5	CN(C)C[C@@H]1CN(C(=O)C[C@H]([NH3+])c2ccccc2)c2ccccc2O1
282123526	ZINC000117029980	ref	4.92	-42.07	1	295.387	0.245	2	4	6	C[NH+](C)C[C@@H]1CN(C(=O)NCCCn2cccn2)CCO1
349535523	ZINC000618816278	ref	5.98	-22.96	0	280.372	1.369	0	5	5	CO[C@H](C(=O)N(C)Cc1cn(C)nn1)C1CCCCC1
365620676	ZINC000274312401	mid	6.11	-44.16	1	268.357	1.927	1	3	2	Fc1cncc(C[N@H+]2CCS[C@H]3COCC[C@@H]32)c1
365620682	ZINC000274312401	mid	4.02	-5.29	0	268.357	1.927	0	4	2	Fc1cncc(CN2CCS[C@H]3COCC[C@@H]32)c1
214189099	ZINC000293635070	ref	1.78	-19.66	0	352.391	0.875	0	5	3	CN(C(=O)c1cc2nccnc2cc1F)[C@@H]1CCN(S(C)(=O)=O)C1
365620689	ZINC000274312945	ref	3.2	-12.58	0	275.316	1.601	3	5	4	CC(C)c1nnc([C@@H](C)NC(=O)Nc2cncnc2)[nH]1
365620694	ZINC000274312945	mid	2.68	-11.98	0	275.316	1.601	3	5	4	CC(C)c1nc([C@@H](C)NC(=O)Nc2cncnc2)n[nH]1
365620702	ZINC000274310438	ref	5.19	-9.76	0	263.341	1.798	1	4	4	CC(C)O[C@H]1C[C@H](NC(=O)c2cncnc2)C1(C)C
365620714	ZINC000274311656	ref	1.48	-8.39	0	296.346	1.139	2	4	3	C[C@@H](O)CN1CCN(C(=O)Nc2cccc(F)n2)C[C@H]1C
282123704	ZINC000449156547	high	3.57	-17.57	0	251.351	2.291	1	3	6	C[S@@](=O)CCCNCc1cccc2ccoc12
259308648	ZINC000306095701	ref	9.17	-4.81	0	243.375	4.003	1	2	2	C[C@H]1CSC[C@H]1Nc1cccc2ccccc12
365620722	ZINC000274311656	mid	3.8	-42.73	1	296.346	1.139	3	3	3	C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(F)n2)C[C@H]1C
230745105	ZINC000450495415	ref	8.23	-11.45	0	309.364	1.726	1	5	7	CNc1nc(N(C)CCN(C)CC(F)F)nc2ccccc12
342081761	ZINC000625328849	ref	2.72	-11.23	0	297.302	1.458	1	4	5	CC1(S(=O)(=O)NC[C@H](n2cccn2)C(F)(F)F)CC1
342081762	ZINC000625328966	ref	7.25	-37.89	1	291.443	1.994	1	4	8	CCN(Cc1cn(CC2CC2)nn1)C[C@@H]1CCC[N@@H+]1CC
342081763	ZINC000625328966	mid	7.06	-40.49	1	291.443	1.994	1	4	8	CCN(Cc1cn(CC2CC2)nn1)C[C@@H]1CCC[N@H+]1CC
282123524	ZINC000497025411	ref	3.99	-15.98	0	328.453	2.253	1	4	5	CCC(CC)(CO)C(=O)N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1
349535524	ZINC000621497104	ref	6.06	-9.51	0	274.355	3.156	2	1	4	C[C@H]1C[C@@H](NC(=O)NCC[C@H]2CC2(F)F)CC[C@H]1C
197595754	ZINC000290101314	ref	0.61	-9.75	0	255.339	1.129	2	3	5	C=C[C@H](CO)NS(=O)(=O)c1ccc(C)c(C)c1
365620679	ZINC000172802084	ref	1.44	-16.41	0	279.365	1.977	1	5	6	Cc1nnc(CC(=O)NC[C@H](C)Cc2cccs2)o1
365620692	ZINC000172803084	ref	4.38	-42.87	1	288.351	2.0	1	5	3	c1coc(-c2noc(CN3CC[N@@H+]4CCCC[C@@H]4C3)n2)c1
365620706	ZINC000172803084	mid	4.36	-37.58	1	288.351	2.0	1	5	3	c1coc(-c2noc(CN3CC[N@H+]4CCCC[C@@H]4C3)n2)c1
365620715	ZINC000172803084	high	2.12	-8.57	0	288.351	2.0	0	6	3	c1coc(-c2noc(CN3CCN4CCCC[C@@H]4C3)n2)c1
365620726	ZINC000172803514	ref	7.66	-43.97	1	286.379	1.601	2	3	3	Cc1cccc2nc(CNC(=O)C3CC[NH+](C)CC3)cn12
365620742	ZINC000172803514	low	8.11	-79.53	2	286.379	1.601	2	2	3	Cc1cccc2[nH+]c(CNC(=O)C3CC[NH+](C)CC3)cn12
365620751	ZINC000172803514	high	5.27	-12.38	0	286.379	1.601	1	4	3	Cc1cccc2nc(CNC(=O)C3CCN(C)CC3)cn12
365620757	ZINC000565279259	ref	3.46	-16.68	0	279.296	1.078	2	4	6	C[C@@H](CC(N)=O)NC(=O)[C@H](C)c1cccc([N+](=O)[O-])c1
365620769	ZINC000258637049	ref	5.63	-42.59	1	261.369	1.8	3	2	4	CNc1cccc(C(=O)NC[C@@H]2CCC[N@H+](C)C2)c1
299072328	ZINC000354602896	ref	-0.3	-14.77	0	339.417	0.265	3	5	7	NC(=O)C[C@H](NC(=O)CNC(=O)c1cccs1)C1CCOCC1
342081764	ZINC000127129261	ref	6.9	-12.94	0	271.357	1.649	1	4	6	CC[C@@H](C)OCC(=O)NC1CCC(C(=O)OC)CC1
197595767	ZINC000290101020	ref	2.29	-8.53	0	254.355	1.445	2	4	6	CC[C@H](CO)NC(=O)c1ncccc1CSC
197595769	ZINC000290102197	ref	4.11	-8.3	0	295.335	0.758	1	6	8	COC(=O)CN(CC[C@H](O)c1ccccc1)CC(=O)OC
342081765	ZINC000625329014	ref	7.91	-85.79	2	253.434	1.887	2	1	6	CCN(C[C@H]1CCC[NH+]1CC)C[C@H]1CCC[N@@H+]1C
342081766	ZINC000625329014	mid	7.97	-82.51	2	253.434	1.887	2	1	6	CCN(C[C@H]1CCC[NH+]1CC)C[C@H]1CCC[N@H+]1C
342081767	ZINC000625329014	mid	8.96	-86.83	2	253.434	1.887	2	1	6	CCN(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@@H+]1CC
342081768	ZINC000625329014	mid	7.96	-83.13	2	253.434	1.887	2	1	6	CCN(C[C@H]1CCC[NH+]1C)C[C@H]1CCC[N@H+]1CC
342081769	ZINC000625329014	high	7.32	-25.68	1	253.434	1.887	1	2	6	CCN(C[C@H]1CCCN1C)C[C@H]1CCC[N@@H+]1CC
342081770	ZINC000625329014	high	5.68	-30.14	1	253.434	1.887	1	2	6	CCN(C[C@H]1CCCN1C)C[C@H]1CCC[N@H+]1CC
365620691	ZINC000576530713	ref	2.55	-51.58	1	244.245	0.712	1	3	3	CN(C(=O)c1ccnn1C(F)F)[C@@H]1CC[NH2+]C1
342081771	ZINC000032418877	ref	4.14	-8.11	0	287.356	1.932	0	3	2	Cc1ccc(S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)cc1F
342081772	ZINC000625329191	ref	6.46	-33.02	1	255.406	1.271	1	2	7	CCN(CCC(=O)N(C)C)C[C@H]1CCC[N@@H+]1CC
290622940	ZINC000257209750	ref	-0.6	-14.75	0	280.284	-1.253	2	5	2	CNC(=O)[C@]1(C)CN(C(=O)c2ccc(=O)[nH]n2)CCO1
185089707	ZINC000096076006	ref	8.73	-44.25	1	270.376	2.387	1	1	3	O=C(c1ccccc1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
365620701	ZINC000576531907	ref	4.26	-9.81	0	244.294	3.284	0	4	4	CCOc1ccc(Oc2nc(C)cc(C)n2)cc1
365620711	ZINC000576529810	ref	5.39	-35.27	1	217.378	1.832	2	2	5	C[N@@H+]1CC[C@@H](CSCCC(C)(C)O)C1
365620718	ZINC000576529810	mid	5.41	-35.06	1	217.378	1.832	2	2	5	C[N@H+]1CC[C@@H](CSCCC(C)(C)O)C1
365620725	ZINC000576530774	ref	2.49	-10.88	0	226.276	0.442	1	3	2	NC(=O)[C@H]1CC[C@@H]1C(=O)N1CCCCCO1
365620732	ZINC000576529847	ref	5.0	-49.19	1	221.304	1.165	1	3	4	Cc1ncc(C[NH2+]CC2=CCOCC2)n1C
365620738	ZINC000576529847	low	5.47	-104.86	2	221.304	1.165	1	2	4	Cc1[nH+]cc(C[NH2+]CC2=CCOCC2)n1C
365620745	ZINC000576529847	high	3.64	-7.75	0	221.304	1.165	1	4	4	Cc1ncc(CNCC2=CCOCC2)n1C
365620755	ZINC000343676013	ref	4.48	-37.18	1	201.266	0.418	2	3	6	C=CCC[N@@H+](C)C[C@](C)(O)C(=O)OC
342081773	ZINC000625329191	mid	5.26	-34.9	1	255.406	1.271	1	2	7	CCN(CCC(=O)N(C)C)C[C@H]1CCC[N@H+]1CC
365620765	ZINC000343676013	mid	4.46	-37.53	1	201.266	0.418	2	3	6	C=CCC[N@H+](C)C[C@](C)(O)C(=O)OC
365620773	ZINC000576530438	ref	3.33	-17.76	0	236.315	0.922	1	2	2	CC1=C[C@H](C)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)C1
365620781	ZINC000576529519	ref	8.14	-34.04	0	215.337	2.608	1	2	7	CCC(C)(C)CC[N@H+](C)[C@@H](C)CC(=O)[O-]
365620790	ZINC000576529519	mid	8.11	-34.48	0	215.337	2.608	1	2	7	CCC(C)(C)CC[N@@H+](C)[C@@H](C)CC(=O)[O-]
342081774	ZINC000625329191	mid	5.27	-41.16	1	255.406	1.271	1	2	7	CCN1CCC[C@@H]1C[N@H+](CC)CCC(=O)N(C)C
342081775	ZINC000625329191	mid	4.97	-41.14	1	255.406	1.271	1	2	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCC(=O)N(C)C
323004200	ZINC000566508281	ref	7.72	-37.64	1	240.391	2.41	1	1	7	CC[C@H](C)[C@H](C)N(C(=O)C[NH2+]C(C)C)C1CC1
365620800	ZINC000576530883	ref	3.05	-36.79	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[C@H](O)C2(C)C)C1
365620806	ZINC000576530883	mid	3.13	-37.15	1	240.347	0.604	3	2	3	C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2C[C@H](O)C2(C)C)C1
365620812	ZINC000576530883	mid	0.74	-7.77	0	240.347	0.604	2	3	3	C[C@@H]1CCN(CC(=O)N[C@@H]2C[C@H](O)C2(C)C)C1
365620816	ZINC000576530708	ref	4.66	-6.89	0	235.356	2.686	2	3	4	Cc1ccc(CNCc2nc(C)c(C)[nH]2)s1
214189104	ZINC000278492099	low	7.13	-92.07	2	324.384	1.769	2	3	8	O=C1c2ccccc2C(=O)N1CC[NH2+]CCCNc1cccc[nH+]1
214189108	ZINC000278493285	ref	2.48	-17.06	0	319.405	2.14	3	3	5	C[C@H](NC(=O)N1CCC(CCC(N)=O)CC1)c1cccc(O)c1
214189112	ZINC000278493949	ref	4.54	-37.31	1	310.348	3.461	2	4	8	CC[NH+](CC)Cc1ccccc1CNc1nnc(C(F)F)o1
214189117	ZINC000278492461	ref	7.74	-13.36	0	316.323	3.269	0	3	3	C[C@@H]1CCC[C@@H](C)N1C(=O)COc1ccnc(C(F)(F)F)c1
214189121	ZINC000278493950	ref	4.62	-7.54	0	305.765	2.326	1	4	5	CN(C(=O)c1cnc(Cl)cn1)[C@H](CCO)c1ccccc1
214189125	ZINC000278493967	ref	3.66	-15.67	0	301.433	1.384	0	3	2	Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@@H](C)C2)cc1
178290930	ZINC000236970724	ref	8.37	-60.05	0	352.456	1.806	1	4	5	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1
214189129	ZINC000278493513	ref	4.31	-12.98	0	318.255	1.947	2	5	6	O=C(CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-])NCC1CC1
178290932	ZINC000236970724	mid	5.94	-49.23	-1	352.456	1.806	0	5	5	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@H](N2CCCC2)C1
214189135	ZINC000278492426	ref	4.8	-6.65	0	318.398	2.381	2	4	2	C[C@H]1COCC[C@H]1NC(=O)C(=O)Nc1csc2ccccc12
214189138	ZINC000278492614	ref	5.23	-12.76	0	315.822	2.379	0	3	2	CS(=O)(=O)[C@@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1
214189141	ZINC000278492438	ref	5.73	-10.56	0	309.362	2.764	1	5	6	COc1ccc(OC)c(NC(=O)CCC(=O)OC(C)(C)C)c1
214189144	ZINC000278492449	ref	4.41	-18.03	0	317.389	2.213	2	5	7	CC[C@@H](O)c1nccn1CC(=O)N[C@H](C)c1ccccc1OC
214189147	ZINC000278493717	ref	3.49	-13.18	0	304.312	2.233	1	3	5	C[C@H](C(=O)N(C)Cc1ccc(O)cc1)N(C)CC(F)(F)F
342081776	ZINC000625329013	ref	6.86	-80.16	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1CC)C[C@@H]1CCC[N@@H+]1C
214189152	ZINC000278493693	ref	2.6	-10.26	0	318.339	1.589	2	3	7	C[C@H](C(=O)NC[C@@H](O)Cc1ccccc1)N(C)CC(F)(F)F
178290934	ZINC000236971241	ref	1.31	-62.44	1	362.879	1.376	2	4	9	CC[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)Oc1ccccc1Cl
178290935	ZINC000236971241	mid	1.0	-18.05	0	362.879	1.376	2	5	9	CC[C@@H](CNC(=O)[C@H](N)CCS(C)(=O)=O)Oc1ccccc1Cl
178290937	ZINC000236981924	ref	4.91	-50.62	1	371.459	1.676	1	5	8	CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1
214189155	ZINC000278492891	ref	0.84	-7.17	0	318.215	1.156	1	5	5	Cn1ncc(Br)c1CN1CCC[C@H](OCCO)C1
349535525	ZINC000618815924	ref	3.68	-11.78	0	287.363	1.862	3	3	4	C[C@H](CO)[C@@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21
282123527	ZINC000350656691	ref	2.92	-18.13	0	341.496	2.312	4	3	8	CCC(CC)(CO)CNC(=O)C1(NC(=O)NC(C)C)CCCCC1
282123662	ZINC000248982528	ref	3.8	-41.11	1	321.373	1.783	3	5	7	COC(=O)c1cc2cc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)ccc2o1
342081777	ZINC000625329013	mid	7.99	-80.95	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1CC)C[C@@H]1CCC[N@H+]1C
222609129	ZINC000170624679	ref	8.62	-56.77	-1	352.365	2.893	1	4	3	C[C@H]1Cc2cccc3c([O-])c(C(=O)NCc4ccc(F)cc4)c(=O)n1c23
282123667	ZINC000342673493	high	5.26	-8.64	0	323.481	2.317	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)CCO1
197595772	ZINC000162847408	ref	7.14	-51.28	-1	305.359	2.086	1	7	6	O=C([O-])CSc1nnc(Cc2cccc(O)c2)n1C1CC1
214189105	ZINC000337629778	ref	7.45	-8.96	0	289.644	3.334	2	2	2	O=C(Nc1nc(C(F)(F)F)c[nH]1)c1cccc(Cl)c1
185089709	ZINC000096076006	mid	8.81	-42.69	1	270.376	2.387	1	1	3	O=C(c1ccccc1)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
306234492	ZINC000557853269	ref	5.02	-11.02	0	348.447	1.61	2	5	4	Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
342081778	ZINC000625329013	mid	6.86	-80.12	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[N@@H+]1CC
342081779	ZINC000625329013	mid	7.95	-80.45	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1C)C[C@@H]1CCC[N@H+]1CC
342081780	ZINC000625329013	high	4.37	-31.72	1	253.434	1.887	1	2	6	CCN(C[C@@H]1CCCN1C)C[C@@H]1CCC[N@@H+]1CC
342081781	ZINC000625329013	high	5.5	-29.39	1	253.434	1.887	1	2	6	CCN(C[C@@H]1CCCN1C)C[C@@H]1CCC[N@H+]1CC
342081782	ZINC000625329015	ref	8.21	-82.67	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[N@@H+]1C)C[C@H]1CCC[NH+]1CC
342081783	ZINC000625329015	mid	8.13	-80.75	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[N@H+]1C)C[C@H]1CCC[NH+]1CC
342081784	ZINC000625329015	mid	8.44	-82.88	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1C)C[C@H]1CCC[N@@H+]1CC
342081785	ZINC000625329015	mid	7.22	-85.69	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1C)C[C@H]1CCC[N@H+]1CC
342081786	ZINC000625329015	high	6.0	-28.79	1	253.434	1.887	1	2	6	CCN(C[C@@H]1CCCN1C)C[C@H]1CCC[N@@H+]1CC
342081787	ZINC000625329015	high	4.76	-31.09	1	253.434	1.887	1	2	6	CCN(C[C@@H]1CCCN1C)C[C@H]1CCC[N@H+]1CC
342081788	ZINC000625329410	ref	2.99	-11.47	0	255.343	1.321	1	4	4	COC[C@H]1CCN(C(=O)NCc2ccns2)C1
342081789	ZINC000625329190	ref	4.02	-35.71	1	296.415	1.565	1	5	9	CCN(Cc1noc(CCOC)n1)C[C@@H]1CCC[N@@H+]1CC
342081790	ZINC000625329190	mid	3.76	-33.2	1	296.415	1.565	1	5	9	CCN(Cc1noc(CCOC)n1)C[C@@H]1CCC[N@H+]1CC
365620693	ZINC000617367480	ref	3.13	-7.31	0	283.368	0.969	1	4	5	COC[C@H](NC(=O)[C@@H]1[C@H]2CCCO[C@H]21)C1CCOCC1
365620704	ZINC000617367467	ref	0.04	-6.7	0	284.312	0.855	1	6	6	COC[C@H](NC(=O)c1cc(OC)no1)C1CCOCC1
365620712	ZINC000617368227	ref	1.33	-9.78	0	282.344	0.174	2	6	5	COC[C@@H](NC(=O)c1cnn(C)c1N)C1CCOCC1
282123528	ZINC000117029980	high	2.46	-12.18	0	295.387	0.245	1	5	6	CN(C)C[C@@H]1CN(C(=O)NCCCn2cccn2)CCO1
214725034	ZINC000299563746	ref	5.2	-17.9	0	371.484	0.297	0	5	5	CN(C)C(=O)[C@@H]1CSCN1C(=O)CN(C)S(=O)(=O)c1ccccc1
365620728	ZINC000617368308	ref	3.01	-8.13	0	283.368	0.971	1	4	5	COC[C@H](NC(=O)[C@@H]1C[C@]12CCOC2)C1CCOCC1
282123529	ZINC000117025092	ref	3.04	-38.9	1	328.457	0.069	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)N2CCOCC2)CCO1
365620743	ZINC000617367514	ref	2.41	-9.24	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@@H]1CCO[C@@H]1C)C1CCOCC1
342081791	ZINC000625329190	high	1.65	-4.53	0	296.415	1.565	0	6	9	CCN(Cc1noc(CCOC)n1)C[C@@H]1CCCN1CC
342081792	ZINC000127129487	ref	6.9	-12.92	0	271.357	1.649	1	4	6	CC[C@H](C)OCC(=O)NC1CCC(C(=O)OC)CC1
342081793	ZINC000625329016	ref	4.48	-34.2	1	267.417	1.319	2	2	7	CCN1CCC[C@H]1C[N@H+](CC)CC[C@@H]1CCNC1=O
365620753	ZINC000617368302	ref	2.5	-12.66	0	289.372	0.597	1	5	10	COCCCOCC(=O)N[C@@H](COC)C1CCOCC1
342081794	ZINC000625329016	mid	4.45	-33.49	1	267.417	1.319	2	2	7	CCN1CCC[C@H]1C[N@@H+](CC)CC[C@@H]1CCNC1=O
365620763	ZINC000617370836	ref	4.64	-41.96	1	284.4	0.886	2	3	5	COC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCOCC1
365620775	ZINC000617370836	high	2.25	-7.67	0	284.4	0.886	1	4	5	COC[C@@H](NC(=O)C1CCN(C)CC1)C1CCOCC1
365620784	ZINC000617368228	ref	1.38	-9.84	0	282.344	0.174	2	6	5	COC[C@H](NC(=O)c1cnn(C)c1N)C1CCOCC1
365620796	ZINC000617370939	ref	1.41	-9.38	0	286.372	0.461	2	4	8	CCNC(=O)CCC(=O)N[C@H](COC)C1CCOCC1
365620807	ZINC000617368453	ref	2.31	-15.01	0	284.356	0.165	1	4	5	COC[C@H](NC(=O)[C@H]1CCC(=O)N1C)C1CCOCC1
199273141	ZINC000294964259	ref	7.93	-37.39	1	285.409	2.155	1	4	8	COC(=O)COC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(C)s1
342081795	ZINC000625329016	mid	4.56	-30.7	1	267.417	1.319	2	2	7	CCN(CC[C@@H]1CCNC1=O)C[C@@H]1CCC[N@@H+]1CC
365620821	ZINC000617371240	ref	1.78	-9.0	0	270.373	0.638	2	3	5	COC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCOCC1
365620837	ZINC000617371240	mid	3.51	-36.6	1	270.373	0.638	2	3	5	COC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCOCC1
365620844	ZINC000617371240	mid	1.78	-9.0	0	270.373	0.638	1	4	5	COC[C@@H](NC(=O)[C@H]1CCCN1C)C1CCOCC1
342597548	ZINC000590799349	ref	6.35	-14.89	0	295.364	1.875	1	5	4	COC(=O)Cc1csc(NC(=O)N2CC[C@H]2C2CC2)n1
342597549	ZINC000590799843	ref	7.61	-13.21	0	275.312	1.47	1	5	2	Cc1cc(NC(=O)N2CCC[C@H](n3ccnc3)C2)no1
342597550	ZINC000590799843	low	8.32	-38.62	1	275.312	1.47	1	4	2	Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)no1
178290939	ZINC000236983446	ref	4.7	-54.22	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1
214189106	ZINC000293625012	ref	4.13	-19.72	0	351.334	0.968	1	5	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCOC2=O)c1
214189109	ZINC000293631225	ref	8.07	-45.93	1	361.49	0.824	2	4	8	C[C@@H](CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C[NH+](C)C
178290942	ZINC000236970386	ref	7.04	-41.42	1	373.497	1.735	2	3	7	CCOc1ccc(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1
214189114	ZINC000293631225	low	8.37	-78.84	2	361.49	0.824	2	3	8	C[C@@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+](C)C
342597551	ZINC000590799820	ref	5.71	-48.62	-1	292.368	1.334	0	5	1	Cc1n[n-]c(=NC(=O)N2CCC[C@H](n3ccnc3)C2)s1
342597552	ZINC000590799820	low	6.42	-56.31	0	292.368	1.334	0	4	1	Cc1n[n-]c(=NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)s1
342597553	ZINC000590812280	ref	5.7	-42.36	1	278.4	1.585	1	3	4	CCc1c(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cnn1C
214189118	ZINC000293630194	ref	0.77	-14.1	0	355.366	0.541	3	5	7	COc1cc(NC(=O)C(=O)N[C@@H](C)C(=O)NCCF)cc(OC)c1C
214189122	ZINC000293629161	ref	2.13	-12.38	0	374.441	0.818	4	4	5	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1CN1CCNC1=O
342597554	ZINC000590798305	ref	6.1	-107.53	2	297.403	1.249	3	3	7	Cc1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)oc1C
222609148	ZINC000125792649	ref	7.16	-8.35	0	334.778	3.396	0	3	2	Cc1cc(C(=O)N2CCO[C@@H](c3ccccc3F)C2)cc(Cl)n1
342597555	ZINC000590798305	high	3.63	-44.57	1	297.403	1.249	2	4	7	Cc1nc(NC(=O)N(CCN(C)C)CC[NH+](C)C)oc1C
214189127	ZINC000293631235	ref	5.01	-23.44	0	352.412	0.26	0	5	3	CN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)[C@H]1CCN(S(C)(=O)=O)C1
192038053	ZINC000418431768	ref	3.47	-35.83	1	213.325	1.187	2	1	6	C=CCN(C)C(=O)N[C@@H](C[NH3+])CC(C)C
178290944	ZINC000236969653	ref	2.54	-64.65	1	359.879	1.544	1	3	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1Cl
230233829	ZINC000331114498	ref	-3.26	-16.22	0	274.302	-1.392	1	6	4	COCn1nccc1S(=O)(=O)N1CCNC(=O)C1
365620698	ZINC000625027767	ref	7.54	-43.96	1	304.434	2.011	1	3	6	Cc1ccccc1C[C@H](C)C(=O)NCCN1CCO[C@@H](C)C1
365620708	ZINC000625027767	low	7.51	-43.45	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1
365620719	ZINC000625027767	low	7.54	-43.96	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1
365620727	ZINC000625024301	ref	8.31	-43.04	1	309.454	2.164	1	2	1	CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620736	ZINC000625024301	mid	7.63	-45.67	1	309.454	2.164	1	2	1	CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620741	ZINC000625024301	mid	6.26	-8.12	0	309.454	2.164	0	3	1	CC[C@H]1CN2CCCC[C@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
342081796	ZINC000625329016	mid	4.37	-32.42	1	267.417	1.319	2	2	7	CCN(CC[C@@H]1CCNC1=O)C[C@@H]1CCC[N@H+]1CC
342081797	ZINC000625329409	ref	2.99	-11.41	0	255.343	1.321	1	4	4	COC[C@@H]1CCN(C(=O)NCc2ccns2)C1
342081798	ZINC000625327694	ref	4.87	-33.63	1	256.39	1.208	1	3	8	CN(CCOC1CCOCC1)CC[N@H+](C)C1CC1
365620752	ZINC000625026647	ref	4.38	-9.32	0	301.424	2.483	1	3	6	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H]1CCSC1
365620761	ZINC000625024673	ref	2.25	-11.67	0	321.389	2.349	2	3	7	CC[C@H](C[C@@H](C)CO)NS(=O)(=O)c1ccc(C)c(F)c1F
365620767	ZINC000625024673	high	2.12	-47.19	-1	321.389	2.349	1	3	7	CC[C@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C)c(F)c1F
365620777	ZINC000625023929	ref	3.3	-10.0	0	319.373	2.199	1	3	3	CCC1(O)CCN(S(=O)(=O)c2ccc(C)c(F)c2F)CC1
365620785	ZINC000625027312	ref	5.68	-13.21	0	315.41	2.197	0	3	6	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@H]1C
365620791	ZINC000625023665	ref	10.11	-22.51	0	324.388	2.011	0	6	4	CCn1c([C@@H]2CCCN2C(=O)Cn2cncn2)nc2ccccc21
365620802	ZINC000625026588	ref	7.24	-42.37	1	317.433	2.22	2	3	6	C[C@H]1CN(CCNC(=O)c2cc(C3CC3)[nH]c2C2CC2)CCO1
342081799	ZINC000625327694	mid	4.8	-35.6	1	256.39	1.208	1	3	8	CN(CCOC1CCOCC1)CC[N@@H+](C)C1CC1
342081800	ZINC000625327694	mid	4.81	-35.22	1	256.39	1.208	1	3	8	CN(CC[N@H+](C)CCOC1CCOCC1)C1CC1
299072330	ZINC000358088119	mid	3.26	-44.32	1	301.456	1.05	4	3	6	CSC[C@](C)(O)CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1
365620822	ZINC000625026588	low	7.21	-41.83	1	317.433	2.22	3	2	6	C[C@H]1C[N@H+](CCNC(=O)c2cc(C3CC3)[nH]c2C2CC2)CCO1
282123530	ZINC000117025092	low	5.02	-98.39	2	328.457	0.069	3	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCOCC2)CCO1
342081801	ZINC000625327694	mid	2.57	-3.74	0	256.39	1.208	1	3	8	CN(CC[N@@H+](C)CCOC1CCOCC1)C1CC1
365620703	ZINC000121829580	high	3.46	-48.17	-1	272.239	2.055	2	4	2	O=C(Nc1ccc([O-])cc1F)c1ccc2nc[nH]c2n1
365620713	ZINC000121827656	ref	6.78	-37.01	1	290.386	2.303	1	3	7	C[C@H](Cn1cccn1)[NH2+]C[C@H](c1cccc(F)c1)N(C)C
365620724	ZINC000121829141	ref	4.1	-4.65	0	297.317	2.106	1	4	3	CC(C)(C)OC(=O)[C@H]1CCCCN1C[C@H](O)C(F)(F)F
342597556	ZINC000590798305	high	1.18	-12.94	0	297.403	1.249	1	5	7	Cc1nc(NC(=O)N(CCN(C)C)CCN(C)C)oc1C
342597557	ZINC000616981268	ref	3.51	-6.98	0	255.406	1.269	0	3	5	CC[C@@H](C)N(CC)C(=O)[C@@H](C)N1CCN(C)CC1
197595771	ZINC000290103123	ref	0.07	-11.02	0	279.296	1.174	3	4	4	CO[C@H](C)CNC(=O)Nc1cccc2c1OCC(=O)N2
342597558	ZINC000616981268	mid	5.86	-36.62	1	255.406	1.269	1	2	5	CC[C@@H](C)N(CC)C(=O)[C@@H](C)N1CC[NH+](C)CC1
365620731	ZINC000121829141	low	6.3	-35.9	1	297.317	2.106	2	3	3	CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F
342597559	ZINC000616981268	low	5.88	-31.93	1	255.406	1.269	1	2	5	CC[C@@H](C)N(CC)C(=O)[C@@H](C)[NH+]1CCN(C)CC1
365620740	ZINC000121829141	low	5.53	-35.27	1	297.317	2.106	2	3	3	CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1C[C@H](O)C(F)(F)F
365620747	ZINC000121828988	ref	3.92	-4.81	0	297.317	2.106	1	4	3	CC(C)(C)OC(=O)[C@@H]1CCCCN1C[C@H](O)C(F)(F)F
178305140	ZINC000188531756	low	9.46	-28.65	1	244.338	3.221	0	2	2	Cc1cc2[nH+]cn(C[C@@H]3CC[C@H](C)O3)c2cc1C
365620756	ZINC000121828988	low	5.61	-35.84	1	297.317	2.106	2	3	3	CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)C(F)(F)F
365620766	ZINC000121828988	low	5.99	-35.8	1	297.317	2.106	2	3	3	CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1C[C@H](O)C(F)(F)F
365620772	ZINC000121828372	ref	3.65	-6.03	0	283.759	2.224	2	3	4	CC(C)C[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)nc1
365620786	ZINC000121825770	ref	3.72	-6.51	0	290.407	2.105	2	3	6	CCC[C@](C)(O)C(=O)NC[C@@H](C)N1CCc2ccccc21
365620794	ZINC000121831092	ref	4.29	-12.27	0	292.289	2.367	3	2	2	O=C(Nc1cc(F)ccc1F)N[C@@H]1CCc2n[nH]cc2C1
365620803	ZINC000121824152	ref	6.77	-8.52	0	291.395	2.422	0	4	5	CCCn1ncc(C(=O)N2CCO[C@H](CC)C2)c1C1CC1
342597560	ZINC000616981446	ref	9.42	-14.94	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1ccnc(-n2cncn2)c1
365620823	ZINC000121826815	ref	3.16	-5.73	0	263.234	2.107	1	2	2	O[C@H](CN1CCc2c(F)cccc2C1)C(F)(F)F
365620832	ZINC000121826815	low	5.43	-45.53	1	263.234	2.107	2	1	2	O[C@H](C[N@@H+]1CCc2c(F)cccc2C1)C(F)(F)F
342597561	ZINC000616981069	ref	6.26	-12.75	0	256.375	1.852	1	4	6	CC[C@H](C)N(CC)C(=O)CSc1n[nH]c(C)n1
365620840	ZINC000121826815	low	5.53	-45.82	1	263.234	2.107	2	1	2	O[C@H](C[N@H+]1CCc2c(F)cccc2C1)C(F)(F)F
365620707	ZINC000336541739	ref	8.14	-34.45	1	272.339	2.117	1	1	3	O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC(C(F)F)CC1
178290947	ZINC000236977713	ref	4.86	-61.69	1	365.499	1.68	1	3	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC([NH3+])CC2)cc1
365620716	ZINC000336541739	mid	7.87	-39.12	1	272.339	2.117	1	1	3	O=C([C@H]1CCC[N@H+]1C1CC1)N1CCC(C(F)F)CC1
365620723	ZINC000336541739	high	6.11	-9.56	0	272.339	2.117	0	2	3	O=C([C@H]1CCCN1C1CC1)N1CCC(C(F)F)CC1
214189110	ZINC000337629778	mid	7.38	-8.14	0	289.644	3.334	2	2	2	O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cccc(Cl)c1
185089710	ZINC000096076006	high	5.85	-8.04	0	270.376	2.387	0	2	3	O=C(c1ccccc1)N1CC[C@@]2(CCN2CC2CC2)C1
365620734	ZINC000336541315	ref	5.46	-19.07	0	259.415	2.04	0	2	3	CCC(C)(C)CC(=O)N1CC[S@@](=O)C[C@H](C)C1
365620750	ZINC000336541378	ref	5.61	-13.36	0	272.348	2.013	0	2	2	CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)cc1
178290949	ZINC000236983759	ref	4.65	-54.57	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1
214189113	ZINC000337629928	ref	4.99	-13.82	0	297.358	2.435	1	4	3	Cc1cc(C(=O)N[C@H]2CCCO[C@@H]2c2ccncc2)ccn1
365620764	ZINC000336540982	ref	5.81	-9.75	0	281.396	2.219	0	3	2	CC(C)[C@H]1OCC[C@H]1C(=O)N1CCOC2(CCCC2)C1
365620774	ZINC000336541312	ref	5.44	-12.49	0	259.415	2.04	0	2	3	CCC(C)(C)CC(=O)N1CC[S@@](=O)C[C@@H](C)C1
365620783	ZINC000336541279	ref	5.64	-19.07	0	271.426	2.326	0	2	3	CCCC1(C(=O)N2CC[C@H](C)[S@@](=O)CC2)CCC1
178290952	ZINC000236983131	ref	4.0	-49.18	1	353.488	1.67	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1
214189116	ZINC000337630138	ref	-0.27	-16.39	0	257.334	0.067	3	3	5	CC(=O)NCCNC(=O)N1CCC[C@@H]1C[C@H](C)O
365620795	ZINC000336541313	ref	5.42	-12.51	0	259.415	2.04	0	2	3	CCC(C)(C)CC(=O)N1CC[S@](=O)C[C@H](C)C1
365620804	ZINC000336541277	ref	5.76	-14.02	0	271.426	2.326	0	2	3	CCCC1(C(=O)N2CC[C@H](C)[S@](=O)CC2)CCC1
365620813	ZINC000336541035	ref	6.62	-35.03	1	279.384	2.238	1	3	1	Cc1nc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c(C)o1
365620830	ZINC000336541035	mid	6.45	-34.65	1	279.384	2.238	1	3	1	Cc1nc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c(C)o1
365620838	ZINC000336541035	high	4.96	-7.1	0	279.384	2.238	0	4	1	Cc1nc(C(=O)N2CCCN(C(C)(C)C)CC2)c(C)o1
365620847	ZINC000336541625	ref	2.22	-16.72	0	296.367	2.167	0	4	2	C[C@H]1CN(Cc2nc3ccc(F)cc3o2)CC[S@](=O)C1
365620855	ZINC000336541754	ref	2.98	-15.47	0	272.801	2.078	0	3	2	C[C@@H]1CC[S@](=O)CCN1Cc1ccc(Cl)cn1
365620730	ZINC000274311656	mid	4.0	-44.45	1	296.346	1.139	3	3	3	C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(F)n2)C[C@H]1C
214189120	ZINC000337629966	ref	11.07	-100.89	2	272.436	3.37	2	0	4	C[C@H]1CC[NH+](Cc2ccccc2C[N@H+]2CC[C@H](C)C2)C1
214189124	ZINC000337629966	mid	10.97	-101.33	2	272.436	3.37	2	0	4	C[C@H]1CC[NH+](Cc2ccccc2C[N@@H+]2CC[C@H](C)C2)C1
342081802	ZINC000625327694	high	2.57	-3.74	0	256.39	1.208	0	4	8	CN(CCOC1CCOCC1)CCN(C)C1CC1
398245970	ZINC000650859153	ref	3.7	-13.49	0	270.373	1.356	2	3	3	COC[C@@H]1C[C@@H](O)CN1C(=O)N[C@@H]1CC[C@@H](C)CC1
342081803	ZINC000625329022	ref	6.83	-36.03	1	264.417	1.769	1	3	7	CCN(CCc1ccnn1C)C[C@@H]1CCC[N@@H+]1CC
222609136	ZINC000222576550	ref	6.33	-25.55	0	396.896	3.534	1	4	8	COc1ccccc1N(CCCC(=O)Nc1cccc(Cl)c1)S(C)(=O)=O
342081804	ZINC000625329022	mid	6.66	-35.14	1	264.417	1.769	1	3	7	CCN(CCc1ccnn1C)C[C@@H]1CCC[N@H+]1CC
365620737	ZINC000645273115	ref	4.99	-6.47	0	265.382	1.388	0	5	3	CN1CCO[C@@H](CSc2ncnc3c2CCC3)C1
343994287	ZINC000622825080	ref	5.74	-7.0	0	239.359	2.498	1	2	6	CC[C@@H]1CCC[C@H]1NC(=O)C1(CCOC)CC1
342081805	ZINC000625329022	mid	6.75	-40.82	1	264.417	1.769	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)CCc1ccnn1C
365620744	ZINC000645273115	low	6.99	-41.43	1	265.382	1.388	1	4	3	C[N@@H+]1CCO[C@@H](CSc2ncnc3c2CCC3)C1
210256485	ZINC000272862776	mid	5.67	-53.96	1	321.396	1.1	2	3	5	CC1(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)COC1
342081806	ZINC000625329022	mid	6.7	-40.95	1	264.417	1.769	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)CCc1ccnn1C
342081807	ZINC000625329281	ref	7.19	-32.71	1	279.428	1.579	1	2	7	C=CCN1CC[C@H](N(CC)C[C@H]2CCC[N@@H+]2CC)C1=O
210256487	ZINC000272862135	ref	7.42	-12.22	0	314.451	3.14	1	4	9	CC[C@H](CSC)N(C)C(=O)N[C@@H](CCOC)c1ccco1
342081808	ZINC000625329281	mid	6.18	-30.73	1	279.428	1.579	1	2	7	C=CCN1CC[C@H](N(CC)C[C@H]2CCC[N@H+]2CC)C1=O
342081809	ZINC000625329281	high	5.36	-8.01	0	279.428	1.579	0	3	7	C=CCN1CC[C@H](N(CC)C[C@H]2CCCN2CC)C1=O
342081810	ZINC000165822222	ref	9.23	-12.55	0	296.279	1.979	0	6	6	CCN(CC)C(=O)COC(=O)Oc1ccc([N+](=O)[O-])cc1
342081811	ZINC000625329368	ref	2.5	-12.28	0	297.302	1.482	1	4	7	C=CCCS(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F
342081812	ZINC000625329368	high	2.21	-39.9	-1	297.302	1.482	0	4	7	C=CCCS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F
342081813	ZINC000625327566	ref	2.46	-8.34	0	290.429	1.532	1	3	6	C=CC(C)(C)CCNS(=O)(=O)N1C[C@H](C)O[C@@H](C)C1
197595779	ZINC000290100318	ref	3.55	-10.24	0	274.324	1.512	2	3	2	CC[C@@H]1[C@@H](C)CCN1C(=O)c1cnc2[nH]c(=O)[nH]c2c1
214189126	ZINC000053577441	ref	4.23	-15.73	0	346.416	1.444	2	7	5	CNS(=O)(=O)c1ccc([C@@H](C)Nc2ncnc3c2cnn3C)cc1
361822755	ZINC000643829396	low	3.15	-41.57	1	294.399	1.191	1	4	6	CNC(=O)[C@@]1(COC)CCCN1Cc1[nH+]ccn1C(C)C
214189132	ZINC000053577441	low	4.61	-48.26	1	346.416	1.444	2	6	5	CNS(=O)(=O)c1ccc([C@@H](C)Nc2[nH+]cnc3c2cnn3C)cc1
214189137	ZINC000053564881	ref	5.34	-9.07	0	332.322	2.904	1	3	3	C[C@H]1CN(C(=O)NCc2ccccc2OC(F)(F)F)C[C@@H](C)O1
214189143	ZINC000053572041	ref	7.38	-9.85	0	335.408	0.968	2	7	5	C[C@@H]1CCCC[C@H]1OCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C
361822763	ZINC000643829396	low	5.22	-39.22	1	294.399	1.191	2	4	6	CNC(=O)[C@@]1(COC)CCC[N@@H+]1Cc1nccn1C(C)C
214189149	ZINC000053566365	ref	5.82	-23.37	0	329.447	1.583	1	5	3	CCOC(=O)N1CCN(C(=O)Cc2sc(=S)[nH]c2C)CC1
342081814	ZINC000625329058	ref	4.2	-10.75	0	291.351	1.517	0	6	5	O=C(C1CC1)[C@@H]1CN(Cc2noc(C3CCC3)n2)CCO1
214189160	ZINC000053571343	ref	4.14	-23.45	0	333.335	2.199	2	3	5	O=C(NCCSC(F)(F)F)c1cccc(N2CCNC2=O)c1
214189163	ZINC000053574044	ref	8.7	-20.57	0	348.402	2.894	1	4	6	Cn1ccc(C(=O)NCc2cccc(OCc3ccccc3)c2)cc1=O
214189170	ZINC000053579010	ref	2.21	-24.26	0	342.442	1.321	2	5	2	C[C@@]1(NC(=S)Nc2ccc3c(c2)OCCO3)CCS(=O)(=O)C1
214189174	ZINC000053563854	ref	9.53	-11.34	0	326.444	3.119	1	3	4	C[C@@H]1C[C@@H](C)CN(C(=O)NCc2ccc(Cn3cccn3)cc2)C1
214189182	ZINC000053565194	ref	6.12	-47.23	1	346.431	0.784	3	4	7	C[NH+](C)CC(C)(C)CNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21
214189187	ZINC000053580951	ref	5.11	-11.64	0	328.372	1.497	1	6	5	COc1ccnc(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)n1
342081815	ZINC000625327731	ref	3.28	-8.13	0	260.403	1.765	1	2	6	C=CC(C)(C)CCNS(=O)(=O)N1CC[C@@H](C)C1
342081816	ZINC000625329283	ref	7.09	-32.49	1	279.428	1.579	1	2	7	C=CCN1CC[C@@H](N(CC)C[C@H]2CCC[N@@H+]2CC)C1=O
342081817	ZINC000625329283	mid	6.75	-32.62	1	279.428	1.579	1	2	7	C=CCN1CC[C@@H](N(CC)C[C@H]2CCC[N@H+]2CC)C1=O
342081818	ZINC000625329283	high	4.6	-7.23	0	279.428	1.579	0	3	7	C=CCN1CC[C@@H](N(CC)C[C@H]2CCCN2CC)C1=O
342081819	ZINC000625329135	ref	2.54	-16.25	0	292.426	1.624	1	5	8	CO[C@@H](CC(C)C)CS(=O)(=O)NCc1ccns1
342081820	ZINC000625329135	high	2.14	-42.88	-1	292.426	1.624	0	5	8	CO[C@@H](CC(C)C)CS(=O)(=O)[N-]Cc1ccns1
349535526	ZINC000621496404	ref	9.08	-11.36	0	275.392	3.207	1	2	5	Cc1ccccc1COCC(=O)N[C@@H]1CCC[C@@H](C)C1
178290955	ZINC000236982947	ref	4.41	-49.78	1	362.474	1.294	2	5	7	CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1
178290958	ZINC000236982947	high	4.08	-12.14	0	362.474	1.294	2	6	7	CC[C@@H](C)[C@H](N)C(=O)Nc1ccc(N2CCN(CC(=O)OC)CC2)cc1
365620733	ZINC000623043123	ref	6.22	-13.34	0	302.378	1.871	0	5	5	COc1nc(C)cc(C)c1CN(C)C(=O)Cn1ccnc1C
365620749	ZINC000623043123	mid	6.69	-33.66	1	302.378	1.871	0	4	5	COc1nc(C)cc(C)c1CN(C)C(=O)Cn1cc[nH+]c1C
178290960	ZINC000236974909	ref	9.45	-74.75	-1	361.373	1.909	1	6	6	CC[C@H](C)[C@@H](NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)C(=O)[O-]
365620762	ZINC000623044848	ref	1.64	-16.43	0	317.336	1.305	3	3	6	O=C(CC[C@H]1NC(=O)NC1=O)N[C@H](C(F)F)C1CCCCC1
178290962	ZINC000236985138	ref	3.9	-52.84	1	353.488	1.574	2	3	8	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1
178290965	ZINC000236983729	ref	4.74	-56.54	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1
365620768	ZINC000623044848	high	0.09	-45.13	-1	317.336	1.305	2	3	6	O=C(CC[C@H]1NC(=O)[N-]C1=O)N[C@H](C(F)F)C1CCCCC1
299072332	ZINC000358088119	high	0.75	-8.44	0	301.456	1.05	3	4	6	CSC[C@](C)(O)CNC(=O)N[C@H](C)C1=CCN(C)CC1
365620778	ZINC000623042938	ref	9.4	-20.52	0	313.386	1.809	0	6	3	Cc1ccnc2nc(C(=O)N3CC(Cc4ccsc4)C3)nn12
365620787	ZINC000623043484	ref	4.68	-17.81	0	303.366	1.335	1	5	5	COc1nc(C)cc(C)c1CN(C)C(=O)Cc1nnc(C)[nH]1
365620799	ZINC000623043206	ref	2.33	-17.48	0	304.272	1.088	2	3	2	CC(=O)N1CC[C@@H](NC(=O)c2c(C(F)(F)F)n[nH]c2C)C1
365620810	ZINC000623043206	mid	2.26	-16.98	0	304.272	1.088	2	3	2	CC(=O)N1CC[C@@H](NC(=O)c2c(C)n[nH]c2C(F)(F)F)C1
178290967	ZINC000236967419	ref	4.9	-46.83	1	354.138	1.909	2	1	5	CC[NH2+]CCNC(=O)c1cc(F)c(F)cc1I
365620817	ZINC000623044825	ref	4.52	-19.04	0	315.32	1.279	2	4	5	O=C(Cn1ccc(=O)[nH]c1=O)N[C@@H](C(F)F)C1CCCCC1
365620829	ZINC000623043957	ref	1.63	-12.71	0	323.389	1.619	3	5	8	COc1cc(CCCNC(=O)[C@@](C)(O)C2CC2)cc(OC)c1O
365620843	ZINC000623043116	ref	3.03	-6.87	0	310.419	1.533	1	5	4	COc1nc(C)cc(C)c1CN(C)C(=O)[C@@]1(O)CCSC1
365620857	ZINC000623043496	ref	2.6	-6.97	0	322.405	1.453	1	5	5	COc1nc(C)cc(C)c1CN(C)C(=O)[C@@H](O)C1CCOCC1
365620869	ZINC000623043240	ref	3.11	-42.29	-1	304.35	1.418	0	5	4	COc1nc(C)cc(C)c1CN(C)C(=O)c1cc(=O)n(C)[n-]1
349535527	ZINC000618814424	ref	6.63	-23.49	0	276.315	1.464	0	4	4	Cc1ccc(F)c(CC(=O)N(C)Cc2cn(C)nn2)c1
214189131	ZINC000337631066	ref	3.43	-12.22	0	271.198	2.018	1	4	3	O=C(NCc1ccno1)c1ccncc1C(F)(F)F
349535529	ZINC000618814674	ref	6.3	-24.56	0	292.314	1.38	0	5	5	C[C@@H](Oc1ccc(F)cc1)C(=O)N(C)Cc1cn(C)nn1
349535531	ZINC000618816524	ref	7.84	-19.71	0	284.363	1.886	0	4	4	Cc1ccc([C@@H]2C[C@@H]2C(=O)N(C)Cc2cn(C)nn2)cc1
342081821	ZINC000625327732	ref	3.28	-8.15	0	260.403	1.765	1	2	6	C=CC(C)(C)CCNS(=O)(=O)N1CC[C@H](C)C1
197595792	ZINC000162839968	ref	7.75	-10.15	0	300.402	2.87	2	2	4	O=C(NCC1(C2CC2)CCC1)N[C@@H]1COc2ccccc2C1
214189134	ZINC000337630091	ref	6.65	-18.22	0	291.717	2.173	2	3	3	Fc1ccc(CCN=c2ncnc3[nH][nH]cc2-3)c(Cl)c1
342081822	ZINC000625329023	ref	7.57	-34.62	1	264.417	1.769	1	3	7	CCN(CCc1ccnn1C)C[C@H]1CCC[N@@H+]1CC
229487587	ZINC000419189148	ref	4.04	-14.08	0	303.793	2.23	2	3	6	Cc1ccnc(CN[C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1
282123665	ZINC000151694128	ref	7.47	-18.08	0	314.411	2.298	1	6	8	CCCCN(CC)C(=O)Nc1nnc(CCC(=O)OC)s1
214189136	ZINC000337630091	high	6.5	-30.67	-1	291.717	2.173	1	3	3	Fc1ccc(CCN=c2ncnc3[nH][n-]cc2-3)c(Cl)c1
323004201	ZINC000566508281	high	6.54	-5.44	0	240.391	2.41	1	2	7	CC[C@H](C)[C@H](C)N(C(=O)CNC(C)C)C1CC1
214189140	ZINC000337631237	ref	6.75	-8.29	0	280.331	2.376	1	5	4	COc1cc(C)ccc1CNc1ncnc2ccncc12
214189145	ZINC000337628247	ref	1.31	-11.9	0	296.33	3.061	1	6	5	COc1ccc(CNc2ccccc2-c2nnc(C)o2)cn1
214189150	ZINC000337628477	ref	7.62	-12.73	0	286.285	2.38	1	4	4	Fc1cccc(CCNc2ncnc3ccncc23)c1F
214189153	ZINC000337632359	ref	7.0	-6.76	0	250.386	3.055	2	1	3	O=C(NCC1CC1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1
342081823	ZINC000625329023	mid	6.37	-36.33	1	264.417	1.769	1	3	7	CCN(CCc1ccnn1C)C[C@H]1CCC[N@H+]1CC
342081824	ZINC000625329023	mid	6.37	-44.85	1	264.417	1.769	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)CCc1ccnn1C
214189162	ZINC000337631190	ref	5.16	-9.71	0	283.412	2.201	1	3	5	CCCC[C@H](C)C(=O)N1CCC[C@@H]1[C@H]1COCC[C@H]1O
214189166	ZINC000337628582	ref	3.88	-17.82	0	292.343	0.251	3	5	3	Cc1cc(N(C)C)nc(NC(=O)N[C@H]2CCC(=O)NC2)n1
342081825	ZINC000625329023	mid	6.07	-44.8	1	264.417	1.769	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCc1ccnn1C
342081826	ZINC000625327319	ref	3.4	-10.49	0	250.224	1.258	1	3	3	CN(C)C(=O)NC[C@H](n1cccn1)C(F)(F)F
282123531	ZINC000117025092	high	0.64	-8.45	0	328.457	0.069	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCC(C)(C)N2CCOCC2)CCO1
365620739	ZINC000641589345	ref	3.15	-13.2	0	272.348	1.494	1	3	2	O=C(c1cccc(N2CCCC2)c1)N1C[C@H]2C[C@@]2(O)C1
365620748	ZINC000641589310	ref	6.15	-12.01	0	289.762	1.819	1	2	1	O=C([C@H]1[C@H]2c3cccc(Cl)c3C[C@H]21)N1C[C@H]2C[C@@]2(O)C1
365620760	ZINC000641589425	ref	5.03	-11.96	0	272.348	1.976	2	2	3	O=C(c1cc(C2CC2)[nH]c1C1CC1)N1C[C@H]2C[C@@]2(O)C1
365620770	ZINC000479696111	ref	7.15	-11.96	0	279.369	1.261	1	5	5	CN(Cc1nncn1C)C(=O)NCCc1ccsc1
282123532	ZINC000491439059	ref	5.53	-44.27	1	344.456	0.825	2	4	5	CN(CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C
365620782	ZINC000641589553	ref	3.27	-16.74	0	299.33	1.284	2	4	2	O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1C[C@@H]2C[C@]2(O)C1
398245971	ZINC000649443908	ref	5.43	-10.37	0	241.294	2.199	1	3	1	Cc1cc(-c2cnn(C)c2C)cc2c1NC(=O)C2
365620793	ZINC000641589590	ref	3.62	-18.61	0	253.248	1.48	1	2	1	Cc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(F)c1F
282123533	ZINC000491439059	high	2.99	-14.54	0	344.456	0.825	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCCN(C)C(=O)OC(C)(C)C)CCO1
365620801	ZINC000641589556	ref	4.94	-14.95	0	271.316	1.877	1	3	2	Cc1ccc2occ(CC(=O)N3C[C@@H]4C[C@]4(O)C3)c2c1
365620811	ZINC000641589620	ref	4.52	-11.67	0	273.332	1.392	1	3	3	COc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
214189133	ZINC000293622582	ref	4.59	-12.29	0	350.419	0.691	1	6	3	CCOC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)N(C)[C@H](C)C2)cn1C
365620818	ZINC000641589361	ref	4.79	-16.4	0	291.347	1.689	1	4	4	COc1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1OC(C)C
365620827	ZINC000641589586	ref	4.65	-15.09	0	297.358	1.602	1	4	2	Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1-c1cnn(C)c1
282123534	ZINC000117026537	ref	2.74	-40.38	1	272.349	-0.953	2	3	4	CN(C)C(=O)CNC(=O)N1CCO[C@H](C[NH+](C)C)C1
282123535	ZINC000117026537	high	0.17	-10.19	0	272.349	-0.953	1	4	4	CN(C)C[C@@H]1CN(C(=O)NCC(=O)N(C)C)CCO1
342081827	ZINC000625329017	ref	4.51	-33.26	1	267.417	1.319	2	2	7	CCN1CCC[C@H]1C[N@H+](CC)CC[C@H]1CCNC1=O
342081828	ZINC000625329017	mid	4.44	-33.02	1	267.417	1.319	2	2	7	CCN1CCC[C@H]1C[N@@H+](CC)CC[C@H]1CCNC1=O
342081829	ZINC000625329017	mid	4.6	-33.55	1	267.417	1.319	2	2	7	CCN(CC[C@H]1CCNC1=O)C[C@@H]1CCC[N@@H+]1CC
342081830	ZINC000625329017	mid	4.39	-26.04	1	267.417	1.319	2	2	7	CCN(CC[C@H]1CCNC1=O)C[C@@H]1CCC[N@H+]1CC
342081831	ZINC000625329097	ref	4.7	-33.16	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@@H](C)C1)C[C@@H]1CCC[N@@H+]1CC
365620746	ZINC000354676364	ref	4.65	-18.0	0	281.352	1.494	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)C1(c2cccc(F)c2)CC1
342081832	ZINC000625329097	mid	4.51	-30.55	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@@H](C)C1)C[C@@H]1CCC[N@H+]1CC
365620758	ZINC000354678161	ref	4.47	-8.59	0	273.348	1.828	1	3	8	O=C(NCCCOC1CCOCC1)C1(CCF)CC1
349535528	ZINC000621497747	ref	7.64	-9.2	0	288.382	3.499	1	1	4	CC(C)C1(C)CCN(C(=O)NCC[C@H]2CC2(F)F)CC1
365620776	ZINC000354677219	ref	5.43	-14.81	0	278.308	1.345	1	4	5	CCOC(=O)CN(C(=O)c1cccc(=O)[nH]1)C1CCC1
349535530	ZINC000621497103	ref	6.06	-9.46	0	274.355	3.156	2	1	4	C[C@H]1C[C@@H](NC(=O)NCC[C@@H]2CC2(F)F)CC[C@H]1C
365620792	ZINC000354676026	ref	3.41	-47.66	1	295.77	1.537	3	2	5	O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1
365620809	ZINC000354678273	ref	5.63	-45.25	1	295.427	1.305	3	2	7	CC[C@@H](C)[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CC=C(C)CC1
365620819	ZINC000354678273	mid	5.63	-45.3	1	295.427	1.305	3	2	7	CC[C@@H](C)[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CC=C(C)CC1
342081833	ZINC000625329097	low	6.93	-89.26	2	283.46	1.513	2	2	7	CCN(CC[N@@H+]1CCO[C@@H](C)C1)C[C@@H]1CCC[NH+]1CC
365620826	ZINC000354678273	mid	5.09	-16.62	0	295.427	1.305	2	3	7	CC[C@@H](C)[C@@H](NC(C)=O)C(=O)NCCN1CC=C(C)CC1
365620834	ZINC000354678271	ref	5.54	-44.25	1	295.427	1.305	3	2	7	CC[C@@H](C)[C@H](NC(C)=O)C(=O)NCC[N@H+]1CC=C(C)CC1
342081834	ZINC000625329097	low	6.99	-90.15	2	283.46	1.513	2	2	7	CCN(CC[N@H+]1CCO[C@@H](C)C1)C[C@@H]1CCC[NH+]1CC
349535532	ZINC000621495580	ref	8.4	-14.04	0	285.391	3.127	2	2	5	CC(C)c1ccc(CNC(=O)C(C)(C)c2c[nH]cn2)cc1
349535534	ZINC000621495580	mid	7.82	-10.3	0	285.391	3.127	2	2	5	CC(C)c1ccc(CNC(=O)C(C)(C)c2cnc[nH]2)cc1
282123536	ZINC000180012056	ref	5.72	-40.93	1	292.379	0.899	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)CCO1
214725040	ZINC000299569244	ref	0.35	-22.94	0	352.416	0.807	2	6	7	CC[C@@H](NC(=O)Cn1cc(S(N)(=O)=O)cn1)c1ccc(OC)cc1
282123537	ZINC000180012056	high	3.26	-11.14	0	292.379	0.899	1	4	5	CN(C)C[C@@H]1CN(C(=O)C[C@H](O)c2ccccc2)CCO1
365620841	ZINC000354678271	mid	5.54	-44.22	1	295.427	1.305	3	2	7	CC[C@@H](C)[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CC=C(C)CC1
342081835	ZINC000625329097	low	6.99	-90.15	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@@H](C)C1)C[C@@H]1CCC[N@@H+]1CC
190491846	ZINC000269407692	ref	6.48	-12.25	0	262.353	2.09	1	3	7	O=C(COC1CCCC1)NCCCc1ccccn1
365620851	ZINC000354678271	mid	3.43	-11.9	0	295.427	1.305	2	3	7	CC[C@@H](C)[C@H](NC(C)=O)C(=O)NCCN1CC=C(C)CC1
214189139	ZINC000293622582	mid	6.38	-41.24	1	350.419	0.691	2	5	3	CCOC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)[N@H+](C)[C@H](C)C2)cn1C
365620754	ZINC000645273115	low	7.42	-40.79	1	265.382	1.388	1	4	3	C[N@H+]1CCO[C@@H](CSc2ncnc3c2CCC3)C1
214189142	ZINC000293622582	mid	6.79	-40.86	1	350.419	0.691	2	5	3	CCOC(=O)c1cc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](C)[C@H](C)C2)cn1C
365620759	ZINC000274309600	ref	4.52	-12.47	0	286.125	1.828	0	4	4	O=C(COc1ccc(Br)nc1)[C@@H]1CCOC1
214189146	ZINC000293632044	ref	10.95	-53.99	1	357.462	0.81	2	6	3	Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1
214189151	ZINC000293632044	mid	10.93	-54.53	1	357.462	0.81	2	6	3	Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1
214189154	ZINC000293632044	high	8.3	-17.05	0	357.462	0.81	1	7	3	Cc1nc2nc(N)nn2c(C)c1CCC(=O)N1CC[C@@]2(CCN(C)C2)C1
365620771	ZINC000274313215	ref	4.3	-9.71	0	288.351	1.462	0	6	6	CN(CCC1OCCO1)Cc1cnn(-c2ccccc2)n1
197595800	ZINC000162846589	ref	7.24	-42.82	1	314.882	3.207	2	2	9	CCCC[C@@H](C[NH3+])NC(=O)CSCc1ccc(Cl)cc1
214189159	ZINC000293628508	ref	-0.2	-60.15	1	358.42	0.798	3	5	7	Cc1c(C(=O)NC(C)(C)CCC[NH3+])cc(S(N)(=O)=O)cc1[N+](=O)[O-]
214189165	ZINC000293622080	ref	1.85	-15.69	0	357.403	0.839	1	5	3	CS(=O)(=O)C1(C(=O)N[C@H]2COc3ccc(F)cc3C2)CCOCC1
342597562	ZINC000616981069	mid	6.65	-11.08	0	256.375	1.852	1	4	6	CC[C@H](C)N(CC)C(=O)CSc1nnc(C)[nH]1
342597563	ZINC000616981069	mid	6.33	-8.81	0	256.375	1.852	1	4	6	CC[C@H](C)N(CC)C(=O)CSc1nc(C)n[nH]1
222609151	ZINC000283765174	ref	5.91	-17.34	0	315.307	1.451	0	6	7	C=CCS(=O)(=O)N(C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
342597564	ZINC000616980725	ref	6.83	-38.93	1	269.433	1.661	1	2	7	CC[C@@H](C)N(CC)C(=O)CCN1CC[NH+](CC)CC1
342597565	ZINC000616980725	mid	6.99	-38.68	1	269.433	1.661	1	2	7	CC[C@@H](C)N(CC)C(=O)CC[NH+]1CCN(CC)CC1
365639396	ZINC000123655307	mid	9.32	-33.01	1	262.397	2.452	1	1	6	C=CCN(CC=C)C(=O)[C@@H](C)[N@H+]1CCC2(CCC2)C1
342597566	ZINC000616980725	high	4.56	-7.35	0	269.433	1.661	0	3	7	CC[C@@H](C)N(CC)C(=O)CCN1CCN(CC)CC1
192038056	ZINC000418432259	ref	4.12	-36.01	1	241.379	1.8	2	1	5	CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@@H]1C(C)C
342597567	ZINC000590812745	ref	6.58	-43.97	1	275.396	1.922	1	2	4	Cc1ccc(CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cn1
342597568	ZINC000590798960	ref	4.14	-14.61	0	289.332	1.728	2	5	6	COC(=O)Cc1csc(NC(=O)NCC[C@@H](C)F)n1
342597569	ZINC000590799932	ref	4.8	-16.56	0	277.353	1.687	2	5	3	Cn1ccnc1CNC(=O)Nc1nc2c(s1)CCC2
342597570	ZINC000590799932	low	5.28	-40.56	1	277.353	1.687	2	4	3	Cn1cc[nH+]c1CNC(=O)Nc1nc2c(s1)CCC2
293078796	ZINC000561317882	high	2.02	-56.59	-1	277.349	1.706	1	5	5	C[C@H](CNC(=O)Cc1cncc([O-])c1)c1nccs1
342597571	ZINC000616981183	ref	3.81	-14.53	0	273.354	1.944	0	4	5	CC[C@H](C)N(CC)C(=O)c1ccc(S(C)(=O)=O)o1
365620779	ZINC000274313215	low	6.41	-41.12	1	288.351	1.462	1	5	6	C[N@H+](CCC1OCCO1)Cc1cnn(-c2ccccc2)n1
342597572	ZINC000590798806	ref	6.17	-16.75	0	261.325	1.792	1	3	2	Cn1cc(NC(=O)N2CCC[C@@H]2C2CC2)ccc1=O
197595809	ZINC000290100668	ref	1.42	-15.23	0	294.351	1.361	3	4	7	CCOC(=O)NCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1
282123538	ZINC000172131550	ref	3.34	-40.77	1	328.457	0.069	2	4	5	C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CCO1
282123539	ZINC000172131550	low	5.28	-88.3	2	328.457	0.069	3	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@@H+]2CCOC(C)(C)C2)CCO1
282123540	ZINC000172131550	low	5.26	-88.1	2	328.457	0.069	3	3	5	C[NH+](C)C[C@@H]1CN(C(=O)NCC[N@H+]2CCOC(C)(C)C2)CCO1
282123709	ZINC000449156705	ref	1.8	-45.36	1	266.366	2.03	2	4	6	CS[C@H](CO)[C@H](C)[NH2+]Cc1cc2cccnc2o1
300268306	ZINC000408307945	ref	5.42	-15.75	0	254.29	0.938	0	6	3	C[C@H]1CN(Cc2c([N+](=O)[O-])ncn2C)[C@@H](C)CO1
365620788	ZINC000274313215	low	6.64	-41.3	1	288.351	1.462	1	5	6	C[N@@H+](CCC1OCCO1)Cc1cnn(-c2ccccc2)n1
197595812	ZINC000290102761	ref	9.28	-8.41	0	290.407	2.67	0	3	6	CN(Cc1ccccc1N(C)C)C(=O)CC[C@@H]1CCCO1
365620797	ZINC000274310436	ref	5.13	-7.39	0	263.341	1.798	1	4	4	CC(C)O[C@@H]1C[C@H](NC(=O)c2cncnc2)C1(C)C
365620805	ZINC000274310684	ref	5.18	-7.19	0	298.346	1.855	2	4	4	CCc1ccc([C@@H](C)NC(=O)C(=O)Nc2cncnc2)cc1
197595814	ZINC000290100547	ref	4.66	-8.88	0	288.174	2.419	2	2	4	C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)[C@H](O)c1ccccc1
342597573	ZINC000616981085	ref	5.37	-11.65	0	275.414	1.848	0	3	7	CC[C@H](C)N(CC)C(=O)CC1(CS(C)(=O)=O)CC1
342597574	ZINC000590812360	ref	6.23	-38.83	1	290.411	1.75	1	3	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cc(N(C)C)ccn2)C1
342597575	ZINC000590798788	ref	4.24	-11.81	0	299.33	1.976	2	3	2	O=C1NC(=O)c2cc(NC(=O)N3CCC[C@@H]3C3CC3)ccc21
365620814	ZINC000274309873	ref	5.74	-8.08	0	283.397	1.737	0	6	5	CCOC(=O)[C@H]1CCCN1Cc1cnc(N(C)C)s1
212169377	ZINC000335490707	mid	2.94	-12.77	0	282.388	0.343	1	3	3	CC[C@H]1CN(CC)CCN1C(=O)N[C@@H]1CC(=O)N(C)C1
212169381	ZINC000335491475	ref	3.24	-10.33	0	255.314	2.155	2	3	2	C[C@H]1C[C@@H](NC(=O)c2c(O)cccc2F)CS1
342597576	ZINC000590798788	high	2.43	-47.89	-1	299.33	1.976	1	3	2	O=C1[N-]C(=O)c2cc(NC(=O)N3CCC[C@@H]3C3CC3)ccc21
361822757	ZINC000616604794	mid	2.86	-56.12	1	256.309	1.26	2	2	1	NC(=O)N1CC[NH2+]C[C@H]1c1nccc2ccccc12
342597577	ZINC000616981207	ref	4.79	-19.3	0	266.341	1.509	1	4	5	CC[C@@H](C)N(CC)C(=O)Cn1c(C)cc(O)cc1=O
342597578	ZINC000590812783	ref	5.57	-45.18	1	284.4	1.171	1	3	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)COC[C@@H]2CCCO2)C1
342597579	ZINC000590812423	ref	6.82	-49.19	1	291.395	1.227	1	3	5	CC(C)[NH2+][C@H]1CCCN(C(=O)CCn2ccccc2=O)C1
342597580	ZINC000590812139	ref	6.4	-41.37	1	278.4	1.571	1	3	5	Cc1cnn(CCC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1
185089717	ZINC000096075816	ref	3.79	-13.45	0	287.363	1.711	2	3	2	Cc1cncc(C(=O)NC2CCC3(CCC(=O)N3)CC2)c1
342597581	ZINC000590798998	ref	5.68	-13.58	0	283.353	1.732	1	5	4	CCC1CN(C(=O)Nc2nc(CC(=O)OC)cs2)C1
197595817	ZINC000162844898	ref	2.79	-26.64	0	313.423	1.362	2	4	4	Cc1cc(=O)n(C)cc1NC(=O)NCC[S@](=O)C(C)(C)C
342597582	ZINC000616981235	ref	6.9	-11.78	0	287.367	1.982	0	5	6	CC[C@H](C)N(CC)C(=O)c1cn(Cc2ccccn2)nn1
361822764	ZINC000339742068	ref	0.71	-13.63	0	269.248	1.578	3	4	4	O=C(Nc1nccs1)N[C@@H](CO)CC(F)(F)F
361822770	ZINC000616604800	ref	2.26	-41.9	1	285.432	1.973	2	3	3	CC(C)(C)OC(=O)NCC[C@H]1C[NH2+]CCN1C(C)(C)C
361822775	ZINC000616604800	mid	2.84	-35.44	1	285.432	1.973	3	3	3	CC(C)(C)OC(=O)NCC[C@H]1CNCC[N@@H+]1C(C)(C)C
361822778	ZINC000616604800	mid	2.99	-34.12	1	285.432	1.973	3	3	3	CC(C)(C)OC(=O)NCC[C@H]1CNCC[N@H+]1C(C)(C)C
361822785	ZINC000531822013	ref	6.54	-39.15	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)s1
361822794	ZINC000531822013	mid	6.46	-38.15	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)s1
361822799	ZINC000531822013	mid	4.1	-7.66	0	279.409	1.918	1	4	4	CCc1ncc(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)s1
361822805	ZINC000616604821	ref	1.05	-13.65	0	291.376	1.141	1	4	2	CS(=O)(=O)N1CCNC[C@H]1c1cccc2cnccc12
361822808	ZINC000616604821	mid	2.38	-64.38	1	291.376	1.141	1	3	2	CS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc2cnccc12
361822813	ZINC000531821724	ref	5.66	-13.56	0	259.313	1.385	0	5	2	CC[C@H]1C[C@@H](C)CN1C(=O)c1ccc2nnnn2c1
361822817	ZINC000616604902	ref	4.94	-35.37	1	272.389	1.7	2	3	3	CN(C(=O)OC(C)(C)C)[C@H]1CCCC[N@H+](CCO)C1
361822823	ZINC000616604902	mid	4.84	-37.05	1	272.389	1.7	2	3	3	CN(C(=O)OC(C)(C)C)[C@H]1CCCC[N@@H+](CCO)C1
214189156	ZINC000278492891	low	3.13	-40.27	1	318.215	1.156	2	4	5	Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](OCCO)C1
214189158	ZINC000278492891	low	3.28	-38.85	1	318.215	1.156	2	4	5	Cn1ncc(Br)c1C[N@H+]1CCC[C@H](OCCO)C1
214189161	ZINC000278492525	ref	8.05	-11.41	0	308.397	3.171	1	2	4	CC(C)N(Cc1ccccc1F)C(=O)N[C@@H]1CCOC[C@@H]1C
282123712	ZINC000449156705	high	0.55	-9.84	0	266.366	2.03	2	5	6	CS[C@H](CO)[C@H](C)NCc1cc2cccnc2o1
214189164	ZINC000278492840	ref	6.69	-12.39	0	318.323	3.043	0	3	3	O=C(c1ccc(F)cc1)N1CCC(Oc2ncccc2F)CC1
343994288	ZINC000139369083	high	3.99	-3.56	0	176.263	1.923	0	2	2	C[C@H]1CCN(Cc2ccccn2)C1
214189171	ZINC000278491900	ref	7.38	-12.36	0	306.793	2.836	1	3	3	C[C@H]1COCC[C@@H]1NC(=O)Cn1ccc2ccc(Cl)cc21
214189173	ZINC000278493872	ref	6.01	-13.1	0	322.449	2.958	2	3	11	COCCN(C(=O)NCCCCCCO)[C@H](C)c1ccccc1
214189177	ZINC000278493075	ref	3.43	-15.99	0	310.379	1.17	0	7	7	CCOCCS(=O)(=O)c1nnc(-c2ccncc2)n1CC
214189180	ZINC000278492557	ref	10.12	-21.42	0	301.777	3.021	0	4	4	Cn1ncc2c(=O)ccn(CCCc3ccc(Cl)cc3)c21
214189186	ZINC000278493226	ref	0.13	-10.62	0	305.403	1.836	2	6	6	OCC[C@@]1(NCc2csc(-c3ccccn3)n2)CCOC1
214189188	ZINC000278493226	mid	1.21	-42.8	1	305.403	1.836	2	5	6	OCC[C@@]1([NH2+]Cc2csc(-c3ccccn3)n2)CCOC1
214189193	ZINC000278492972	ref	5.25	-8.39	0	323.368	1.867	2	4	4	CC(C)O[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1(C)C
343994289	ZINC000139325810	ref	-0.93	-8.79	0	114.1	-0.721	1	3	0	O=C1CC[C@@H](O)C1=O
342081836	ZINC000625329097	low	6.8	-91.83	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@@H](C)C1)C[C@@H]1CCC[N@H+]1CC
214189197	ZINC000278493183	ref	4.74	-14.69	0	300.376	1.728	1	6	9	CCOC[C@H](O)COc1ccccc1SCC(=O)OC
259308651	ZINC000220230463	ref	-0.36	-51.03	-1	247.254	0.724	3	5	4	O=C(NCCn1cccn1)c1c(O)cccc1O
342081837	ZINC000625328999	ref	8.28	-83.31	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1CC)C[C@H]1CCC[N@@H+]1C
192038058	ZINC000418464279	ref	3.11	-51.11	1	227.352	1.411	2	1	4	CC[C@@H]1[C@H](C)CCN1C(=O)NC[C@H](C)C[NH3+]
342081838	ZINC000625328999	mid	7.21	-86.03	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[NH+]1CC)C[C@H]1CCC[N@H+]1C
342081839	ZINC000625328999	mid	8.28	-83.31	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H]1CCC[NH+]1C
342081840	ZINC000625328999	mid	8.14	-80.22	2	253.434	1.887	2	1	6	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H]1CCC[NH+]1C
342081841	ZINC000625328999	high	6.06	-30.04	1	253.434	1.887	1	2	6	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H]1CCCN1C
398245973	ZINC000650859878	ref	2.16	-11.31	0	296.342	1.572	3	3	6	O=C(NC[C@@H]1CCOc2ccccc21)N[C@@H](CO)CCF
398245976	ZINC000650859468	ref	7.19	-44.75	1	287.354	1.769	2	1	2	C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CC3(F)F)C1
365620780	ZINC000258637049	mid	5.19	-43.17	1	261.369	1.8	3	2	4	CNc1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1
342597583	ZINC000590799275	ref	4.55	-12.14	0	283.353	1.946	2	5	6	CC/C=C\CNC(=O)Nc1nc(CC(=O)OC)cs1
365620789	ZINC000258637049	high	3.24	-8.33	0	261.369	1.8	2	3	4	CNc1cccc(C(=O)NC[C@@H]2CCCN(C)C2)c1
197595825	ZINC000162841152	ref	5.03	-24.39	0	310.419	2.091	2	4	7	CC(C)(C)OCCOCC(=O)Nc1ccc(C(N)=S)cc1
342597584	ZINC000590799276	ref	4.71	-12.07	0	283.353	1.946	2	5	6	CC/C=C/CNC(=O)Nc1nc(CC(=O)OC)cs1
365620798	ZINC000565247213	ref	1.66	-54.26	1	299.421	1.416	2	4	4	N#Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)s1
398245978	ZINC000650859468	mid	6.77	-45.36	1	287.354	1.769	2	1	2	C[N@H+]1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CC3(F)F)C1
342597585	ZINC000626227965	ref	2.35	-12.09	0	273.292	1.68	2	5	2	Cc1cc(O)ccc1NC(=O)c1cn2c(n1)COCC2
306234493	ZINC000557842099	ref	0.38	-58.06	-1	347.792	1.33	0	4	5	C[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)S(C)(=O)=O
282123541	ZINC000172131550	high	0.86	-10.12	0	328.457	0.069	1	5	5	CN(C)C[C@@H]1CN(C(=O)NCCN2CCOC(C)(C)C2)CCO1
365620808	ZINC000565247213	high	1.29	-61.18	0	299.421	1.416	1	4	4	N#Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]([NH3+])C2)s1
398245979	ZINC000650859468	high	4.82	-9.69	0	287.354	1.769	1	2	2	CN1CCC[C@H](CNC(=O)N2CC[C@]3(C2)CC3(F)F)C1
282123542	ZINC000185852298	ref	7.74	-39.07	1	291.395	1.501	1	2	4	CN(Cc1ccccc1)C(=O)N1CCO[C@H](C[NH+](C)C)C1
365620815	ZINC000172795742	ref	3.17	-19.74	0	290.348	1.084	2	5	3	Cc1cccn2cc(CNC(=O)[C@H]3CSC(=O)N3)nc12
398245982	ZINC000650859880	ref	2.16	-11.38	0	296.342	1.572	3	3	6	O=C(NC[C@H]1CCOc2ccccc21)N[C@@H](CO)CCF
365620825	ZINC000172795742	low	3.63	-46.08	1	290.348	1.084	2	4	3	Cc1cccn2cc(CNC(=O)[C@H]3CSC(=O)N3)[nH+]c12
178305143	ZINC000019423518	ref	10.03	-13.29	0	248.289	2.909	0	4	1	Cc1cc2ncn(-c3ccc(C#N)cn3)c2cc1C
214189168	ZINC000337629793	ref	7.71	-10.53	0	285.391	2.34	1	3	4	O=C(c1ccc(NCC2CC2)nc1)N1CC[C@H]2CCC[C@H]21
365620833	ZINC000172795920	ref	7.82	-49.42	1	299.374	1.737	1	4	4	CCOc1ccccc1C[N@@H+]1CCc2nn(C)c(=O)cc2C1
365639398	ZINC000565403136	ref	6.34	-6.45	0	275.377	1.755	1	5	2	N#Cc1cc2c(nc1N[C@@H]1CCCSC1)CCOC2
349535533	ZINC000618814685	ref	6.04	-20.56	0	288.351	1.415	0	5	6	COc1ccc(CCC(=O)N(C)Cc2cn(C)nn2)cc1
201705205	ZINC000006909466	ref	8.28	-55.72	1	329.444	2.318	2	4	9	O[C@@H](C[NH2+]CCCn1ccnc1)CO[C@@H]1CCCc2ccccc21
349535536	ZINC000618814622	ref	5.36	-10.66	0	293.396	1.841	0	6	3	CN(Cc1cn(C)nn1)C(=O)c1csc(C(C)(C)C)n1
349535538	ZINC000618814794	ref	4.86	-11.27	0	250.327	1.078	0	5	4	CN(Cc1cn(C)nn1)C(=O)Cc1ccsc1
178290970	ZINC000236978569	ref	4.15	-60.06	1	351.472	1.29	1	3	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@@H]([NH3+])C2)cc1
178290972	ZINC000236985106	ref	2.68	-52.78	1	355.504	1.611	3	3	9	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1
178290974	ZINC000236985106	high	2.39	-11.77	0	355.504	1.611	3	4	9	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1
349535540	ZINC000106892902	ref	3.39	-15.66	0	263.359	1.048	1	4	5	CCCS(=O)(=O)NC1CCC(C(=O)OC)CC1
349535542	ZINC000618816068	ref	6.8	-11.52	0	298.346	1.145	0	5	4	CN(Cc1cn(C)nn1)C(=O)C(=O)c1ccc2c(c1)CCC2
349535544	ZINC000618816527	ref	7.84	-19.88	0	284.363	1.886	0	4	4	Cc1ccc([C@H]2C[C@H]2C(=O)N(C)Cc2cn(C)nn2)cc1
178290975	ZINC000236977877	ref	6.57	-60.6	1	365.499	1.552	1	3	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[NH2+]CC2)cc1
349535547	ZINC000618815073	ref	5.65	-17.64	0	295.346	1.741	2	4	4	N#Cc1ccc2c(c1)CC[C@@H]2NC(=O)NCCn1cccn1
349535549	ZINC000618815297	ref	5.4	-12.22	0	264.716	1.741	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1cccc(Cl)c1
178290977	ZINC000236977877	high	5.27	-14.15	0	365.499	1.552	1	4	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCCNCC2)cc1
178290979	ZINC000236985008	ref	3.91	-52.44	1	355.504	1.707	2	3	9	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1
229487589	ZINC000419189148	mid	5.15	-42.8	1	303.793	2.23	2	2	6	Cc1ccnc(C[NH2+][C@@H](Cc2ccc(Cl)cc2)C(N)=O)c1
185089719	ZINC000096077974	ref	6.85	-41.34	1	260.337	2.146	1	2	3	C=CC[N@@H+]1CCC12CCN(C(=O)c1ccco1)CC2
349535551	ZINC000618815922	ref	3.41	-12.03	0	287.363	1.862	3	3	4	C[C@H](CO)[C@H](C)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21
349535553	ZINC000618815221	ref	6.93	-25.35	0	288.351	1.549	0	5	5	Cc1cccc(O[C@H](C)C(=O)N(C)Cc2cn(C)nn2)c1
178290982	ZINC000236985008	high	3.63	-11.5	0	355.504	1.707	2	4	9	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1
230233840	ZINC000331094687	ref	-0.4	-21.78	0	288.344	-1.176	2	6	4	CN(CC(=O)OC(C)(C)C)[C@H]1CN(C(=O)CO)C[C@H]1O
185089721	ZINC000096077974	mid	6.85	-40.95	1	260.337	2.146	1	2	3	C=CC[N@H+]1CCC12CCN(C(=O)c1ccco1)CC2
361822762	ZINC000640340839	mid	2.02	-54.44	-1	277.349	1.753	2	3	1	O=C(N=c1[n-]sc2ccccc12)N[C@H]1CCC[C@@H]1O
361822767	ZINC000640340777	ref	3.68	-12.38	0	277.349	1.971	1	3	0	C[C@H]1COCCN1C(=O)N=c1[nH]sc2ccccc12
342081842	ZINC000625328999	high	5.9	-29.1	1	253.434	1.887	1	2	6	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H]1CCCN1C
214189169	ZINC000293629900	ref	1.36	-12.92	0	371.319	0.271	2	6	4	N#Cc1ccc(NC(=O)C(=O)NC[C@@H](N2CCOCC2)C(F)(F)F)nc1
222609157	ZINC000170625774	ref	2.11	-19.39	0	361.423	1.101	2	5	3	COc1cccc2c1CCc1c-2n[nH]c1C(=O)N[C@@H]1CCS(=O)(=O)C1
214189175	ZINC000293620156	ref	5.25	-46.93	1	363.458	0.729	3	4	8	CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C
197595836	ZINC000290100643	ref	5.33	-14.16	0	288.269	2.306	1	3	5	C[C@@H](Oc1cccnc1)C(=O)N[C@@H](C1CC1)C(F)(F)F
342081843	ZINC000625329438	ref	8.07	-37.91	1	281.444	1.805	1	2	8	CCN(CCCN1CCCC1=O)C[C@H]1CCC[N@@H+]1CC
342081844	ZINC000625329438	mid	6.86	-39.53	1	281.444	1.805	1	2	8	CCN(CCCN1CCCC1=O)C[C@H]1CCC[N@H+]1CC
342081845	ZINC000625329438	mid	6.86	-40.9	1	281.444	1.805	1	2	8	CCN1CCC[C@@H]1C[N@H+](CC)CCCN1CCCC1=O
342081846	ZINC000625329438	mid	6.57	-41.2	1	281.444	1.805	1	2	8	CCN1CCC[C@@H]1C[N@@H+](CC)CCCN1CCCC1=O
342081847	ZINC000625327831	ref	0.51	-13.36	0	299.396	1.005	2	4	7	C=CC(C)(C)CCNS(=O)(=O)c1cc(C(N)=O)n(C)c1
342081848	ZINC000625327369	ref	3.44	-8.02	0	297.395	1.252	0	5	5	O=C1CCC[C@H]1[C@H]1COCCN1CCOC1CCOCC1
342081849	ZINC000625327369	mid	5.54	-36.73	1	297.395	1.252	1	4	5	O=C1CCC[C@H]1[C@H]1COCC[N@@H+]1CCOC1CCOCC1
342081850	ZINC000625327369	mid	5.33	-43.43	1	297.395	1.252	1	4	5	O=C1CCC[C@H]1[C@H]1COCC[N@H+]1CCOC1CCOCC1
342081851	ZINC000625329099	ref	5.43	-30.18	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@@H](C)C1)C[C@H]1CCC[N@@H+]1CC
342081852	ZINC000625329099	mid	4.24	-33.29	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@@H](C)C1)C[C@H]1CCC[N@H+]1CC
342081853	ZINC000625329099	low	7.84	-91.79	2	283.46	1.513	2	2	7	CCN(CC[N@@H+]1CCO[C@@H](C)C1)C[C@H]1CCC[NH+]1CC
342081854	ZINC000625329099	low	7.87	-92.11	2	283.46	1.513	2	2	7	CCN(CC[N@H+]1CCO[C@@H](C)C1)C[C@H]1CCC[NH+]1CC
342081855	ZINC000625329099	low	7.73	-92.75	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@@H](C)C1)C[C@H]1CCC[N@@H+]1CC
342081856	ZINC000625329099	low	6.5	-87.72	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@@H](C)C1)C[C@H]1CCC[N@H+]1CC
282123543	ZINC000185852298	high	5.2	-11.15	0	291.395	1.501	0	3	4	CN(C)C[C@@H]1CN(C(=O)N(C)Cc2ccccc2)CCO1
365620820	ZINC000274309873	low	8.13	-35.8	1	283.397	1.737	1	5	5	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1cnc(N(C)C)s1
365620828	ZINC000274309873	low	7.72	-33.21	1	283.397	1.737	1	5	5	CCOC(=O)[C@H]1CCC[N@H+]1Cc1cnc(N(C)C)s1
342081857	ZINC000625327573	ref	3.96	-52.77	-1	271.386	1.784	1	4	7	C=CC(C)(C)CCNS(=O)(=O)c1cn(CC)cn1
342081858	ZINC000625327573	high	3.96	-52.77	-1	271.386	1.784	0	4	7	C=CC(C)(C)CC[N-]S(=O)(=O)c1cn(CC)cn1
214189172	ZINC000337628528	ref	7.43	-19.35	0	254.311	2.165	0	4	5	CCN(C)C(=O)CSc1ccccc1[N+](=O)[O-]
342081859	ZINC000625329320	ref	3.5	-10.74	0	253.249	1.847	1	3	3	CN(CC(F)(F)F)C(=O)NCc1ccns1
342081860	ZINC000625329206	ref	4.12	-40.85	1	284.448	1.5	3	2	8	CCN(CCNC(=O)NC(C)C)C[C@@H]1CCC[N@@H+]1CC
342081861	ZINC000625329206	mid	3.95	-38.28	1	284.448	1.5	3	2	8	CCN(CCNC(=O)NC(C)C)C[C@@H]1CCC[N@H+]1CC
365620839	ZINC000274313862	ref	5.34	-15.37	0	286.339	1.622	1	5	2	Cn1nccc1C1CCN(C(=O)Nc2cncnc2)CC1
342081862	ZINC000625327843	ref	2.82	-9.21	0	263.403	1.933	1	3	9	C=CC(C)(C)CCNS(=O)(=O)CCOC(C)C
365620849	ZINC000274313734	ref	3.66	-7.85	0	296.346	1.407	1	4	5	CCOCCN1CCN(C(=O)Nc2cccc(F)n2)CC1
365620858	ZINC000274313734	mid	5.93	-43.22	1	296.346	1.407	2	3	5	CCOCC[NH+]1CCN(C(=O)Nc2cccc(F)n2)CC1
342081863	ZINC000625329282	ref	6.49	-32.13	1	279.428	1.579	1	2	7	C=CCN1CC[C@H](N(CC)C[C@@H]2CCC[N@@H+]2CC)C1=O
365620867	ZINC000274312394	ref	6.01	-44.07	1	268.357	1.927	1	3	2	Fc1cncc(C[N@@H+]2CCS[C@@H]3COCC[C@H]32)c1
342081864	ZINC000625329282	mid	7.64	-29.06	1	279.428	1.579	1	2	7	C=CCN1CC[C@H](N(CC)C[C@@H]2CCC[N@H+]2CC)C1=O
365620872	ZINC000274312394	mid	5.56	-42.05	1	268.357	1.927	1	3	2	Fc1cncc(C[N@H+]2CCS[C@@H]3COCC[C@H]32)c1
365620879	ZINC000274312394	mid	3.77	-4.9	0	268.357	1.927	0	4	2	Fc1cncc(CN2CCS[C@@H]3COCC[C@H]32)c1
342081865	ZINC000625329282	high	4.16	-8.0	0	279.428	1.579	0	3	7	C=CCN1CC[C@H](N(CC)C[C@@H]2CCCN2CC)C1=O
343994290	ZINC000625559247	ref	2.75	-7.43	0	232.349	1.127	1	2	6	C/C=C\CNS(=O)(=O)N(C)[C@H](C)C1CC1
343994293	ZINC000625559054	ref	2.13	-9.86	0	241.312	1.55	1	3	5	C/C=C\CNS(=O)(=O)c1cccc(OC)c1
349535535	ZINC000621495580	low	8.3	-34.09	1	285.391	3.127	2	1	5	CC(C)c1ccc(CNC(=O)C(C)(C)c2c[nH]c[nH+]2)cc1
342088469	ZINC000121405816	low	7.95	-77.09	2	278.4	1.342	2	2	5	CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCc1c[nH+]cn1C
342597586	ZINC000616981269	ref	3.72	-7.68	0	255.406	1.269	0	3	5	CC[C@@H](C)N(CC)C(=O)[C@H](C)N1CCN(C)CC1
185089723	ZINC000096077974	high	3.81	-8.46	0	260.337	2.146	0	3	3	C=CCN1CCC12CCN(C(=O)c1ccco1)CC2
365620824	ZINC000576530708	mid	6.01	-42.31	1	235.356	2.686	2	2	4	Cc1ccc(C[NH2+]Cc2nc(C)c(C)[nH]2)s1
365620835	ZINC000576531230	ref	1.76	-6.54	0	231.336	1.278	1	3	7	CCC(CC)(CO)C(=O)N(C)C[C@H](C)OC
365620845	ZINC000576531345	ref	3.85	-36.6	1	240.347	0.7	2	2	4	CC1C[NH+]([C@H](C)C(=O)N2CCC[C@@H]2CCO)C1
342597587	ZINC000616981269	mid	6.1	-37.11	1	255.406	1.269	1	2	5	CC[C@@H](C)N(CC)C(=O)[C@H](C)N1CC[NH+](C)CC1
365620853	ZINC000576531345	mid	0.83	-12.29	0	240.347	0.7	1	3	4	CC1CN([C@H](C)C(=O)N2CCC[C@@H]2CCO)C1
365620863	ZINC000576529722	ref	2.13	-4.88	0	206.351	2.042	2	3	7	CCC[C@H](O)CSCCC(C)(C)O
365620874	ZINC000576529314	ref	6.96	-48.58	1	247.317	2.498	2	1	5	Cc1nc(C[NH2+]CCc2cccc(F)c2)[nH]c1C
365620883	ZINC000576529314	high	5.61	-8.55	0	247.317	2.498	2	2	5	Cc1nc(CNCCc2cccc(F)c2)[nH]c1C
365620888	ZINC000576529599	ref	5.3	-8.12	0	248.286	0.781	1	6	4	COC(=O)[C@H](C)CN(C)c1ccc(C#N)c(N)n1
342597588	ZINC000616981269	low	5.87	-31.61	1	255.406	1.269	1	2	5	CC[C@@H](C)N(CC)C(=O)[C@H](C)[NH+]1CCN(C)CC1
365620896	ZINC000576529610	ref	8.4	-34.8	1	225.298	3.839	1	0	7	CCC[N@H+](CCCCC(F)(F)F)C(C)C
365620901	ZINC000576529610	mid	8.44	-35.11	1	225.298	3.839	1	0	7	CCC[N@@H+](CCCCC(F)(F)F)C(C)C
365620910	ZINC000576529524	ref	8.08	-34.93	0	215.337	2.608	1	2	7	CCC(C)(C)CC[N@H+](C)[C@H](C)CC(=O)[O-]
178290983	ZINC000236968925	ref	4.29	-43.07	1	353.488	1.589	1	3	6	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1C
365620918	ZINC000576529524	mid	8.12	-34.1	0	215.337	2.608	1	2	7	CCC(C)(C)CC[N@@H+](C)[C@H](C)CC(=O)[O-]
365620924	ZINC000576530966	ref	3.98	-10.1	0	245.33	1.619	2	4	3	Cc1ncc(CN[C@@H]2CCCc3c[nH]nc32)n1C
365620928	ZINC000576530966	low	5.62	-110.26	2	245.33	1.619	2	2	3	Cc1[nH+]cc(C[NH2+][C@@H]2CCCc3cn[nH]c32)n1C
365620933	ZINC000576530966	high	3.92	-9.81	0	245.33	1.619	2	4	3	Cc1ncc(CN[C@@H]2CCCc3cn[nH]c32)n1C
343994291	ZINC000139325810	mid	-1.6	-7.94	0	114.1	-0.721	2	3	0	O=C1CCC(O)=C1O
365620941	ZINC000576529993	ref	3.08	-10.52	0	247.298	1.392	1	4	3	O=C(NCc1cc2n(n1)CCCO2)C1=CCCC1
365620949	ZINC000343676594	ref	3.84	-33.98	1	239.363	3.061	1	3	7	CCc1nnc([C@@H](C)[N@@H+](CC)C[C@H](C)CC)o1
365620954	ZINC000343676594	mid	4.45	-35.37	1	239.363	3.061	1	3	7	CCc1nnc([C@@H](C)[N@H+](CC)C[C@H](C)CC)o1
365620958	ZINC000343676594	mid	1.98	-6.8	0	239.363	3.061	0	4	7	CCc1nnc([C@@H](C)N(CC)C[C@H](C)CC)o1
342597589	ZINC000590812664	ref	6.63	-40.43	1	263.385	1.936	1	2	3	Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n1C
365620831	ZINC000625026588	low	7.24	-42.37	1	317.433	2.22	3	2	6	C[C@H]1C[N@@H+](CCNC(=O)c2cc(C3CC3)[nH]c2C2CC2)CCO1
365620842	ZINC000625024304	ref	8.67	-43.83	1	309.454	2.164	1	2	1	CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620852	ZINC000625024304	mid	8.34	-42.99	1	309.454	2.164	1	2	1	CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620860	ZINC000625024304	mid	6.3	-8.26	0	309.454	2.164	0	3	1	CC[C@@H]1CN2CCCC[C@@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620868	ZINC000625024535	ref	7.06	-10.81	0	304.398	2.107	1	6	9	C=C(C)CN(C)c1nnc(-c2cn[nH]c2)n1CCCOCC
365620877	ZINC000625024926	ref	7.28	-16.49	0	307.438	2.36	1	2	3	CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365620889	ZINC000625027764	ref	7.56	-43.85	1	304.434	2.011	1	3	6	Cc1ccccc1C[C@@H](C)C(=O)NCCN1CCO[C@@H](C)C1
365620897	ZINC000625027764	low	7.51	-43.35	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@@H](C)C1
365620903	ZINC000625027764	low	7.56	-43.85	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)NCC[N@H+]1CCO[C@@H](C)C1
365620912	ZINC000625026153	ref	3.93	-18.97	0	323.805	2.3	1	4	2	CNC(=O)[C@@H]1CCCN1C(=O)c1sc2ncccc2c1Cl
365620922	ZINC000625027695	ref	5.71	-15.2	0	309.366	2.003	0	4	3	Cc1ncc(S(=O)(=O)N2CC[C@@H]2c2cccc(F)c2)n1C
365620931	ZINC000625024309	ref	7.17	-41.88	1	309.454	2.164	1	2	1	CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620936	ZINC000625024309	mid	7.76	-42.28	1	309.454	2.164	1	2	1	CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620939	ZINC000625024309	mid	5.51	-7.24	0	309.454	2.164	0	3	1	CC[C@H]1CN2CCCC[C@@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365620947	ZINC000625024671	ref	2.32	-12.64	0	321.389	2.349	2	3	7	CC[C@H](C[C@H](C)CO)NS(=O)(=O)c1ccc(C)c(F)c1F
342597590	ZINC000590798807	ref	6.41	-16.17	0	261.325	1.792	1	3	2	Cn1cc(NC(=O)N2CCC[C@H]2C2CC2)ccc1=O
365620951	ZINC000625024671	high	2.43	-45.84	-1	321.389	2.349	1	3	7	CC[C@H](C[C@H](C)CO)[N-]S(=O)(=O)c1ccc(C)c(F)c1F
365620959	ZINC000625024635	ref	5.74	-12.17	0	320.393	2.079	1	7	10	C=CCN(C)c1nnc(-c2ccc(CO)o2)n1CCCOCC
365620966	ZINC000625027076	ref	3.03	-13.79	0	320.361	2.002	0	4	5	C[C@@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@@H]1C
262839964	ZINC000399585705	ref	3.9	-50.46	1	235.331	1.948	2	2	4	Cc1ccnc(NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])c1
214189178	ZINC000293620156	mid	5.5	-45.94	1	363.458	0.729	3	4	8	CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C
214189181	ZINC000293620156	high	3.97	-14.05	0	363.458	0.729	2	5	8	CCOc1ccccc1C(=O)NCC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C
349535537	ZINC000621497102	ref	6.7	-8.87	0	274.355	3.156	2	1	4	C[C@@H]1CC[C@H](NC(=O)NCC[C@@H]2CC2(F)F)C[C@H]1C
214189185	ZINC000293615581	ref	3.12	-12.1	0	357.414	0.932	3	6	5	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccnn1Cc1ccccn1
323004210	ZINC000126711139	ref	8.15	-72.0	1	241.316	0.385	1	5	4	O=C([O-])[C@H]1CSCC[N@@H+]1CCn1ccnc1
214189190	ZINC000293618783	ref	2.65	-12.21	0	373.409	0.886	2	5	1	CN1C(=O)COc2ccc(NC(=O)C(=O)N3CC[C@H](O)C34CCCC4)cc21
365620836	ZINC000641589243	ref	2.53	-11.44	0	253.342	1.175	1	3	2	CC(C)(C(=O)N1C[C@@H]2C[C@]2(O)C1)[C@@H]1CCCCO1
178290986	ZINC000236978310	ref	7.52	-45.53	1	362.47	1.923	2	4	9	CCOc1ccc(C[C@@H](CNC(=O)CC2CC[NH2+]CC2)C(=O)OC)cc1
342081866	ZINC000625327829	ref	7.58	-42.84	1	299.422	1.958	1	4	5	CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCc1cn(C)nn1
214189195	ZINC000293633183	ref	4.95	-25.42	0	362.43	0.395	2	5	3	Cc1ccn(C)c(=O)c1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1CC(C)C
214189198	ZINC000293619353	ref	0.72	-17.71	0	365.386	0.052	2	6	5	COc1cc(NC(=O)C(=O)N2C[C@@H](OC)C[C@H]2C(N)=O)cc(OC)c1C
222609158	ZINC000222534335	ref	9.08	-17.36	0	379.287	3.699	1	2	6	CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl
259308654	ZINC000220230463	high	-0.36	-53.3	-1	247.254	0.724	2	5	4	O=C(NCCn1cccn1)c1c([O-])cccc1O
214189203	ZINC000293616770	ref	0.42	-16.77	0	355.416	0.089	2	5	5	CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@H]2COC)c1
214189205	ZINC000293634908	ref	4.4	-11.99	0	356.4	0.75	0	7	4	COC(=O)c1cc(S(=O)(=O)N2CCC[C@H](C(=O)OC)C2)cnc1C
342081867	ZINC000625327829	mid	5.39	-10.77	0	299.422	1.958	1	4	5	CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCc1cn(C)nn1
342081868	ZINC000625327829	high	5.39	-10.77	0	299.422	1.958	0	5	5	CC[C@@H]1CN(c2ccccc2)CCN1CCc1cn(C)nn1
342081869	ZINC000625327570	ref	2.38	-9.24	0	283.397	1.853	2	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cc(C)cnc1N
342081870	ZINC000625327367	ref	3.81	-8.2	0	297.395	1.252	0	5	5	O=C1CCC[C@H]1[C@@H]1COCCN1CCOC1CCOCC1
342081871	ZINC000625327367	mid	5.07	-39.88	1	297.395	1.252	1	4	5	O=C1CCC[C@H]1[C@@H]1COCC[N@@H+]1CCOC1CCOCC1
343994292	ZINC000599271886	ref	9.08	-51.74	1	281.363	1.894	1	4	6	Cn1cc(CC[N@H+](Cc2ccc(C#N)cc2)C2CC2)nn1
214189184	ZINC000337628455	ref	7.14	-41.11	1	267.417	2.35	3	1	5	C[C@H]1CCC[C@H]1NC(=O)NCCC[NH+]1CCCCC1
214189189	ZINC000337629209	ref	2.01	-10.13	0	263.301	0.173	2	7	4	Cn1ncc2c(NC[C@H](O)[C@@H]3CCOC3)ncnc21
214189192	ZINC000337629209	low	2.41	-41.08	1	263.301	0.173	2	6	4	Cn1ncc2c(NC[C@H](O)[C@@H]3CCOC3)[nH+]cnc21
214189196	ZINC000337632041	ref	-0.16	-9.72	0	286.372	0.644	3	4	7	O=C(NCC1CCC1)NCC1(OCCO)CCOCC1
290622954	ZINC000257342229	ref	4.14	-40.25	1	297.399	0.226	2	3	3	CNC(=O)[C@]1(C)CN(C(=O)C[NH+]2CCCCCC2)CCO1
290622957	ZINC000257342229	high	2.04	-15.05	0	297.399	0.226	1	4	3	CNC(=O)[C@]1(C)CN(C(=O)CN2CCCCCC2)CCO1
290622960	ZINC000072379279	ref	-1.24	-15.34	0	265.335	-1.37	1	4	3	CNC(=O)[C@]1(C)CN(S(=O)(=O)N(C)C)CCO1
214189209	ZINC000337631049	ref	5.16	-6.02	0	295.408	2.257	2	4	3	CCc1nc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C)sc1C
342081872	ZINC000625327367	mid	5.77	-41.47	1	297.395	1.252	1	4	5	O=C1CCC[C@H]1[C@@H]1COCC[N@H+]1CCOC1CCOCC1
342081873	ZINC000625329018	ref	4.11	-38.09	1	267.417	1.319	2	2	7	CCN1CCC[C@@H]1C[N@H+](CC)CC[C@@H]1CCNC1=O
214189211	ZINC000337630209	ref	5.74	-23.38	0	298.342	2.122	2	3	7	NC(=O)CC(=O)Nc1cccc(OCCc2ccccc2)c1
349535539	ZINC000621497025	ref	7.2	-8.47	0	260.328	3.006	1	1	3	C[C@H]1CCCCCN1C(=O)NCC[C@H]1CC1(F)F
214189215	ZINC000337629212	ref	1.78	-10.52	0	263.301	0.173	2	7	4	Cn1ncc2c(NC[C@H](O)[C@H]3CCOC3)ncnc21
349535541	ZINC000621495839	ref	9.07	-11.31	0	275.392	3.207	1	2	5	Cc1ccc(COCC(=O)N[C@@H]2CCC[C@@H](C)C2)cc1
214189218	ZINC000337629212	low	2.17	-41.39	1	263.301	0.173	2	6	4	Cn1ncc2c(NC[C@H](O)[C@H]3CCOC3)[nH+]cnc21
349535543	ZINC000621496201	ref	7.91	-9.52	0	288.382	3.499	1	1	3	CC(C)(C)[C@@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349535545	ZINC000621496541	ref	4.4	-6.07	0	290.388	3.205	1	4	5	COc1cc(C(=O)NCc2ccc(C(C)C)cc2)sn1
214189220	ZINC000337629215	ref	-0.67	-17.66	0	275.349	-0.319	3	4	10	CCCC[C@@H](NC(N)=O)C(=O)N(C)CCOCCO
214189224	ZINC000337629815	ref	6.51	-53.15	-1	293.371	0.698	1	4	1	C[C@@H]1CCC[C@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[n-]1
214189226	ZINC000337629815	low	6.67	-20.38	0	293.371	0.698	2	4	1	C[C@@H]1CCC[C@H]1NC(=O)C(=O)N=c1ncn(C(C)(C)C)[nH]1
282123544	ZINC000373911052	ref	-0.66	-16.31	0	305.4	-0.901	0	5	2	CN(C)C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCO1
349535546	ZINC000621496768	ref	7.07	-45.25	1	290.382	3.007	1	1	2	[NH3+]C1CCC(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)CC1
349535548	ZINC000621496096	ref	8.56	-10.62	0	294.345	3.108	1	1	3	Cc1cccc2c1CN(C(=O)NCC[C@H]1CC1(F)F)CC2
365620846	ZINC000641589411	ref	3.18	-12.57	0	254.289	1.442	1	3	1	O=C(c1ccc2cccnc2c1)N1C[C@@H]2C[C@]2(O)C1
365620856	ZINC000641589623	ref	4.52	-11.33	0	273.332	1.392	1	3	3	COc1ccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
365620864	ZINC000641589409	ref	3.2	-18.13	0	254.289	1.442	1	3	1	O=C(c1ccc2cccnc2c1)N1C[C@H]2C[C@@]2(O)C1
190491853	ZINC000269407148	ref	7.89	-16.91	0	299.374	3.077	1	4	4	CC[C@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C)O1
282123545	ZINC000373911052	mid	1.83	-48.18	1	305.4	-0.901	1	4	2	C[NH+](C)C[C@@H]1CN(C(=O)N2CCS(=O)(=O)CC2)CCO1
365620873	ZINC000641589429	ref	3.76	-7.93	0	282.409	1.71	0	3	2	Cc1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1
185089724	ZINC000096075987	ref	8.3	-44.62	1	258.369	1.85	1	3	3	Cc1ccc(N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)nn1
365620880	ZINC000641589429	low	5.84	-41.4	1	282.409	1.71	1	2	2	Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1
365620885	ZINC000641589429	low	5.93	-41.13	1	282.409	1.71	1	2	2	Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1
342597591	ZINC000590798517	ref	5.23	-43.05	1	295.427	1.417	3	2	3	O=C(NCC1CCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
342597592	ZINC000590798517	mid	2.74	-9.29	0	295.427	1.417	2	3	3	O=C(NCC1CCCC1)N1CCN([C@H]2CCC[C@@H]2O)CC1
282123546	ZINC000180011990	ref	6.23	-41.82	1	326.824	1.552	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@H](O)c2ccc(Cl)cc2)CCO1
282123547	ZINC000180011990	high	3.78	-11.39	0	326.824	1.552	1	4	5	CN(C)C[C@@H]1CN(C(=O)C[C@H](O)c2ccc(Cl)cc2)CCO1
365620893	ZINC000479699993	ref	3.11	-9.63	0	298.77	1.668	2	3	6	CO[C@@H](c1ccccc1Cl)[C@@H](C)NC(=O)CNC(C)=O
197595854	ZINC000290101371	ref	4.12	-9.83	0	297.318	2.766	0	7	5	CC[C@@H](C)Oc1cc(-c2noc(-c3ccncn3)n2)ccn1
190491854	ZINC000269405539	ref	6.55	-11.88	0	296.374	2.929	2	3	5	Cc1ncc(NC(=O)NCC2(Cc3ccccc3)CC2)cn1
349535550	ZINC000621497283	ref	7.83	-9.21	0	274.355	3.109	1	1	3	C[C@@H]1CN(C(=O)NCC[C@H]2CC2(F)F)CC(C)(C)C1
342597593	ZINC000590799622	ref	7.02	-18.27	0	288.355	1.968	1	5	3	CCn1cc(NC(=O)N2CCC[C@H](n3ccnc3)C2)cn1
295666481	ZINC000370909016	ref	8.46	-21.68	0	323.466	2.349	1	5	2	CS[C@H]1CCCCN(C(=O)N[C@H]2CCCn3c(C)nnc32)C1
178290994	ZINC000236967739	ref	3.49	-67.13	1	355.504	1.82	2	3	8	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)c1
178290996	ZINC000236982976	ref	5.05	-52.51	1	353.488	1.541	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1
222609156	ZINC000125794108	ref	3.34	-13.77	0	342.417	2.351	2	6	5	C[C@@]1(CNc2ccc([N+](=O)[O-])c(S(C)(=O)=O)c2)CCCC[C@@H]1O
365620848	ZINC000121825076	ref	8.44	-9.58	0	264.373	2.145	1	4	7	O=C(CCn1cncn1)NCCCC1CCCCC1
178290997	ZINC000236978517	ref	5.94	-54.61	1	365.499	1.551	1	3	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[NH2+][C@@H](C)C2)cc1
365620861	ZINC000121826823	ref	5.8	-12.11	0	251.33	2.28	1	3	6	CCOCCN(CC)C(=O)Nc1ccncc1C
365620871	ZINC000121826823	low	6.25	-34.7	1	251.33	2.28	1	2	6	CCOCCN(CC)C(=O)Nc1cc[nH+]cc1C
178291000	ZINC000236978517	mid	4.68	-14.11	0	365.499	1.551	1	4	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCN[C@@H](C)C2)cc1
365620878	ZINC000121827520	ref	2.41	-8.49	0	285.413	2.491	2	4	6	COCC(C)(C)NC(=O)NCc1nc(C(C)C)cs1
282123548	ZINC000182460528	ref	6.18	-41.13	1	306.406	1.073	2	3	5	C[NH+](C)C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCO1
222609161	ZINC000125792166	ref	4.55	-31.29	0	340.305	1.846	2	3	3	O=C(N[C@@H]1CCCN(CC(F)(F)F)C1=O)c1cccc2c[nH]nc12
342597594	ZINC000590799622	low	7.72	-41.12	1	288.355	1.968	1	4	3	CCn1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cn1
342597595	ZINC000590812138	ref	6.4	-41.06	1	278.4	1.571	1	3	5	Cc1cnn(CCC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1
342597596	ZINC000590812361	ref	6.19	-39.17	1	290.411	1.75	1	3	4	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cc(N(C)C)ccn2)C1
178291003	ZINC000236972315	ref	1.22	-51.39	1	362.474	1.091	3	4	9	CCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1
136229405	ZINC000195254715	ref	6.12	-49.47	1	238.375	1.736	1	1	4	CC(C)C[C@@H](C)CC(=O)N1C[C@@H]2C[NH2+]C[C@@H]2C1
342597597	ZINC000590812665	ref	6.63	-40.43	1	263.385	1.936	1	2	3	Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n1C
178291005	ZINC000236972315	mid	3.64	-97.06	2	362.474	1.091	4	3	9	CCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)CC[NH+]2CCOCC2)c1
342597598	ZINC000590798957	ref	6.37	-14.88	0	281.337	1.346	1	5	4	CC#CCN(C)C(=O)Nc1nc(CC(=O)OC)cs1
192038060	ZINC000418430110	ref	3.94	-38.04	1	243.326	1.629	2	1	4	CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC=C(F)C1
342597599	ZINC000590798277	ref	7.45	-105.96	2	285.417	1.1	3	3	7	C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nccs1
365620850	ZINC000172795920	mid	7.99	-48.47	1	299.374	1.737	1	4	4	CCOc1ccccc1C[N@H+]1CCc2nn(C)c(=O)cc2C1
342597600	ZINC000590798277	high	4.96	-54.66	1	285.417	1.1	2	4	7	CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nccs1
299072333	ZINC000358088562	ref	1.48	-11.71	0	318.333	1.509	1	7	5	COc1cc(NC(=O)c2cn([C@@H]3CCOC3)nn2)cc(OC)c1
342597601	ZINC000590798277	high	2.48	-12.08	0	285.417	1.1	1	5	7	CN(C)CCN(CCN(C)C)C(=O)Nc1nccs1
342597602	ZINC000590798563	ref	2.47	-13.66	0	267.354	1.524	3	4	4	O=C(NC[C@@H](O)C1CC1)Nc1nc2c(s1)CCC2
282123549	ZINC000182460528	high	3.73	-10.6	0	306.406	1.073	1	4	5	CN(C)C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)CCO1
282123550	ZINC000374226646	ref	6.61	-47.86	1	308.426	1.288	2	3	4	C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCO1
214189191	ZINC000053559035	ref	6.83	-14.55	0	338.415	1.924	1	7	5	C[C@H](CNc1ccc2nnc(-c3ccccc3)n2n1)N1CCOCC1
282123551	ZINC000374226646	high	4.05	-17.3	0	308.426	1.288	1	4	4	CN(C)C[C@@H]1CN(C(=O)NCC2CCC(C#N)CC2)CCO1
282123666	ZINC000171336931	ref	5.64	-17.09	0	330.417	1.588	1	7	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3c(C)nn(C)c3s1)CC2
214189194	ZINC000053559035	low	8.96	-56.26	1	338.415	1.924	2	6	5	C[C@H](CNc1ccc2nnc(-c3ccccc3)n2n1)[NH+]1CCOCC1
282123668	ZINC000370988839	ref	4.12	-6.92	0	312.454	2.288	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C
282123670	ZINC000248982528	mid	4.27	-42.02	1	321.373	1.783	3	5	7	COC(=O)c1cc2cc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)ccc2o1
342597603	ZINC000590812785	ref	5.51	-45.06	1	284.4	1.171	1	3	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)COC[C@H]2CCCO2)C1
349535552	ZINC000621496886	ref	7.9	-9.28	0	288.382	3.499	1	1	3	CC(C)(C)C1CCN(C(=O)NCC[C@H]2CC2(F)F)CC1
349535967	ZINC000594970101	ref	7.36	-51.64	1	281.363	2.524	1	4	8	C=CCC[NH2+]Cc1cn(CCC#N)nc1-c1ccncc1
349535968	ZINC000093299328	ref	1.31	-8.69	0	277.324	0.558	2	4	1	Cc1ccncc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](O)C1
349535969	ZINC000621246759	ref	6.57	-39.48	1	285.395	2.123	2	4	5	C[C@H]1CCCC[N@@H+]1CCCNc1nccc2nccnc12
349535971	ZINC000594970190	ref	6.38	-54.33	1	281.359	2.987	1	3	5	COc1ccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cn1
349535973	ZINC000093291568	ref	4.96	-16.46	0	290.283	0.723	2	6	5	Cn1cnc(CNC(=O)NCc2ccc([N+](=O)[O-])cc2)n1
229487630	ZINC000419191537	ref	5.27	-33.73	1	311.47	2.19	2	2	7	CCCC[C@H](CCC)NC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+]
342081874	ZINC000625329018	mid	3.81	-37.86	1	267.417	1.319	2	2	7	CCN1CCC[C@@H]1C[N@@H+](CC)CC[C@@H]1CCNC1=O
342081875	ZINC000625329018	mid	5.3	-28.5	1	267.417	1.319	2	2	7	CCN(CC[C@@H]1CCNC1=O)C[C@H]1CCC[N@@H+]1CC
342081876	ZINC000625329018	mid	4.09	-31.68	1	267.417	1.319	2	2	7	CCN(CC[C@@H]1CCNC1=O)C[C@H]1CCC[N@H+]1CC
342081877	ZINC000625328967	ref	7.99	-29.99	1	291.443	1.994	1	4	8	CCN(Cc1cn(CC2CC2)nn1)C[C@H]1CCC[N@@H+]1CC
342081878	ZINC000625328967	mid	6.83	-37.53	1	291.443	1.994	1	4	8	CCN(Cc1cn(CC2CC2)nn1)C[C@H]1CCC[N@H+]1CC
342081879	ZINC000625329192	ref	5.71	-33.63	1	255.406	1.271	1	2	7	CCN(CCC(=O)N(C)C)C[C@@H]1CCC[N@@H+]1CC
342081880	ZINC000625329192	mid	5.55	-31.55	1	255.406	1.271	1	2	7	CCN(CCC(=O)N(C)C)C[C@@H]1CCC[N@H+]1CC
342081881	ZINC000625329192	mid	5.65	-37.12	1	255.406	1.271	1	2	7	CCN1CCC[C@H]1C[N@H+](CC)CCC(=O)N(C)C
214189199	ZINC000053573286	ref	9.49	-11.4	0	346.438	3.439	1	6	5	Cc1cc(C)n(Cc2cccc(CNc3nnc(C)c(C)c3C#N)c2)n1
349535554	ZINC000106892846	ref	4.17	-15.76	0	277.386	1.438	1	4	6	CCCCS(=O)(=O)NC1CCC(C(=O)OC)CC1
349535555	ZINC000618815937	ref	6.57	-9.66	0	262.357	1.744	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCCC2(CC2)C1
349535556	ZINC000618814564	ref	5.97	-18.71	0	262.357	1.91	0	4	3	CC1=CC[C@](C)(C(=O)N(C)Cc2cn(C)nn2)CC1
349535558	ZINC000618814743	ref	7.17	-19.32	0	272.352	1.967	0	4	5	C[C@H](CC(=O)N(C)Cc1cn(C)nn1)c1ccccc1
349535560	ZINC000618816367	ref	3.09	-11.83	0	273.336	1.616	3	3	4	C[C@@H](CCO)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21
349535561	ZINC000618815938	ref	6.5	-9.86	0	262.357	1.744	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@H]1CCCC2(CC2)C1
349535563	ZINC000618814603	ref	6.42	-20.62	0	290.371	1.184	0	6	6	CCc1nccn1[C@H](C)CC(=O)N(C)Cc1cn(C)nn1
349535565	ZINC000618814603	mid	6.88	-41.02	1	290.371	1.184	0	5	6	CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)Cc1cn(C)nn1
349535567	ZINC000618814677	ref	5.51	-22.24	0	261.329	1.043	0	5	3	Cc1cc(C(=O)N(C)Cc2cn(C)nn2)c(C)n1C
349535568	ZINC000618816091	ref	4.76	-20.02	0	298.346	1.075	2	3	2	CN1CC[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1=O
229487724	ZINC000177102907	ref	7.83	-9.31	0	246.354	2.812	1	1	3	C[C@H]1CC[C@H](C)N1C(=O)NCCc1ccccc1
229487729	ZINC000310075102	ref	7.47	-36.44	1	235.371	3.032	1	1	3	C1=C[C@H]([NH2+][C@H]2CCO[C@H]2C2CC2)CCCCC1
229487741	ZINC000310097421	ref	7.58	-36.76	1	241.419	3.463	1	1	6	COCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)C
365620854	ZINC000617368307	ref	2.87	-7.88	0	283.368	0.971	1	4	5	COC[C@H](NC(=O)[C@H]1C[C@@]12CCOC2)C1CCOCC1
365620865	ZINC000617367515	ref	2.37	-9.69	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@@H]1CCO[C@H]1C)C1CCOCC1
365620876	ZINC000617368567	ref	4.49	-14.61	0	282.344	0.397	1	6	6	COC[C@H](NC(=O)[C@H](C)n1cncn1)C1CCOCC1
365620887	ZINC000617368322	ref	2.66	-14.58	0	255.314	0.523	1	4	5	COC[C@H](NC(=O)C1CC(=O)C1)C1CCOCC1
365620894	ZINC000617370911	ref	4.33	-35.92	1	272.389	0.886	2	3	8	CC[NH+](CC)CC(=O)N[C@H](COC)C1CCOCC1
365620907	ZINC000617370911	high	2.32	-7.85	0	272.389	0.886	1	4	8	CCN(CC)CC(=O)N[C@H](COC)C1CCOCC1
185089726	ZINC000096075987	mid	8.31	-44.17	1	258.369	1.85	1	3	3	Cc1ccc(N2CC[C@]3(CC[N@H+]3CC3CC3)C2)nn1
365620914	ZINC000617368306	ref	3.04	-9.14	0	283.368	0.971	1	4	5	COC[C@H](NC(=O)[C@@H]1C[C@@]12CCOC2)C1CCOCC1
365620921	ZINC000617367525	ref	3.19	-17.95	0	294.351	0.855	2	4	5	COC[C@@H](NC(=O)c1c[nH]cc(C)c1=O)C1CCOCC1
192038061	ZINC000418464342	ref	1.99	-37.21	1	244.383	0.707	3	1	8	CCCC[C@H](C[NH3+])NC(=O)N(C)CC[NH+](C)C
342597604	ZINC000590799736	ref	7.66	-17.12	0	288.355	1.794	1	5	2	Cc1cc(NC(=O)N2CCC[C@H](n3ccnc3)C2)n(C)n1
365620932	ZINC000617367072	ref	2.11	-9.18	0	271.357	0.871	2	4	7	C=C[C@@](C)(O)CC(=O)N[C@@H](COC)C1CCOCC1
365620942	ZINC000617367816	ref	3.3	-14.47	0	294.351	0.557	1	5	5	COC[C@H](NC(=O)c1cccc(=O)n1C)C1CCOCC1
365620952	ZINC000617370835	ref	4.69	-41.59	1	284.4	0.886	2	3	5	COC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCOCC1
230745113	ZINC000450495775	ref	7.22	-10.36	0	319.401	1.828	2	4	8	COC(=O)CC[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C1CCC1
282123552	ZINC000533473995	ref	4.13	-7.02	0	295.408	1.372	2	5	4	C[C@H](O)[C@@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1
365620961	ZINC000617370835	high	2.3	-7.62	0	284.4	0.886	1	4	5	COC[C@H](NC(=O)C1CCN(C)CC1)C1CCOCC1
342597605	ZINC000590799736	low	8.37	-42.15	1	288.355	1.794	1	4	2	Cc1cc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)n(C)n1
299072334	ZINC000358087185	ref	8.47	-61.37	1	319.796	1.802	1	4	4	C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
342597606	ZINC000616981084	ref	5.24	-11.74	0	275.414	1.848	0	3	7	CC[C@@H](C)N(CC)C(=O)CC1(CS(C)(=O)=O)CC1
342597607	ZINC000590812782	ref	5.56	-45.07	1	284.4	1.171	1	3	6	CC(C)[NH2+][C@H]1CCCN(C(=O)COC[C@@H]2CCCO2)C1
365620971	ZINC000617367934	ref	2.87	-11.15	0	257.33	0.723	1	4	5	COC[C@H](NC(=O)[C@H]1CCCO1)C1CCOCC1
365620983	ZINC000617367074	ref	2.26	-6.87	0	271.357	0.871	2	4	7	C=C[C@](C)(O)CC(=O)N[C@H](COC)C1CCOCC1
342597608	ZINC000616981206	ref	4.92	-19.14	0	266.341	1.509	1	4	5	CC[C@H](C)N(CC)C(=O)Cn1c(C)cc(O)cc1=O
342597609	ZINC000590812282	ref	5.68	-45.48	1	278.4	1.585	1	3	4	CCc1c(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cnn1C
342597610	ZINC000590798278	ref	8.67	-101.51	2	284.448	1.311	3	1	8	C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1CCCC1
342597611	ZINC000590798278	high	6.2	-48.76	1	284.448	1.311	2	2	8	CN(C)CCN(CC[NH+](C)C)C(=O)NCC1CCCC1
214189200	ZINC000278492855	ref	7.61	-5.87	0	310.397	3.239	2	2	4	CCc1cccc(NC(=O)C(=O)NC(C)(C)c2ccccc2)c1
342597612	ZINC000590798278	high	3.73	-6.91	0	284.448	1.311	1	3	8	CN(C)CCN(CCN(C)C)C(=O)NCC1CCCC1
361822766	ZINC000643829396	low	5.19	-34.78	1	294.399	1.191	2	4	6	CNC(=O)[C@@]1(COC)CCC[N@H+]1Cc1nccn1C(C)C
361822772	ZINC000136389467	ref	5.01	-12.99	0	297.336	1.397	1	5	4	CCC(=O)N1CC[C@@H](NC(=O)c2ccc([N+](=O)[O-])s2)C1
349535557	ZINC000093300810	ref	2.26	-9.04	0	294.355	0.15	2	5	2	CCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)n(C)n1
361822780	ZINC000136386544	ref	5.54	-16.17	0	286.375	1.746	1	3	4	O=C1CC(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)C1
361822788	ZINC000136386544	mid	8.28	-55.35	1	286.375	1.746	2	2	4	O=C1CC(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1
361822791	ZINC000136386544	mid	7.75	-53.68	1	286.375	1.746	2	2	4	O=C1CC(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1
361822797	ZINC000335720777	ref	4.09	-13.98	0	255.264	1.489	1	2	2	C[C@@H]1C[C@H](O)CN1C(=O)Cc1cccc(F)c1F
361822804	ZINC000335720872	ref	3.29	-10.52	0	251.248	1.702	1	2	2	CC1(CC(=O)N2CC[C@@](O)(C(F)(F)F)C2)CC1
361822814	ZINC000159730428	ref	4.86	-11.82	0	294.399	1.605	1	4	4	Cc1nn(C)c(C)c1CNC(=O)N(C)CC1CCOCC1
361822821	ZINC000340552486	ref	6.76	-10.75	0	266.301	1.582	0	5	5	CC[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])cn1
361822827	ZINC000562825091	ref	4.23	-12.6	0	275.356	1.648	2	4	4	Cn1cc(C(C)(C)NC(=O)NCC2(C#N)CCC2)cn1
361822830	ZINC000565142086	ref	7.93	-17.58	0	270.348	1.594	0	2	3	CC(C)[C@H](C(=O)N1CCC[C@@H](F)C1)N1CCCC1=O
361822836	ZINC000643829397	ref	4.87	-9.28	0	294.399	1.191	1	5	6	CNC(=O)[C@]1(COC)CCCN1Cc1nccn1C(C)C
361822842	ZINC000643829397	low	5.04	-27.71	1	294.399	1.191	1	4	6	CNC(=O)[C@]1(COC)CCCN1Cc1[nH+]ccn1C(C)C
361822846	ZINC000643829397	low	5.5	-38.73	1	294.399	1.191	2	4	6	CNC(=O)[C@]1(COC)CCC[N@@H+]1Cc1nccn1C(C)C
361822849	ZINC000643829397	low	6.33	-37.4	1	294.399	1.191	2	4	6	CNC(=O)[C@]1(COC)CCC[N@H+]1Cc1nccn1C(C)C
178291007	ZINC000236972315	high	0.93	-12.05	0	362.474	1.091	3	5	9	CCC[C@@H](N)C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1
365620859	ZINC000172795920	mid	5.37	-9.19	0	299.374	1.737	0	5	4	CCOc1ccccc1CN1CCc2nn(C)c(=O)cc2C1
365638714	ZINC000625088440	ref	1.04	-11.71	0	323.393	2.032	2	5	7	CCCCNC(=O)C1(NC(=O)c2coc(OC)n2)CCCCC1
178291010	ZINC000236968969	ref	3.91	-43.04	1	373.906	1.934	1	3	6	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1Cl
365638719	ZINC000625083858	ref	5.49	-21.53	0	301.346	2.313	2	4	7	C[C@@H](CC(=O)NCCC(=O)Nc1ccccn1)c1ccco1
432002759	ZINC000129186486	high	8.29	-10.18	0	316.371	3.215	1	4	3	FC(F)(F)[C@H]1CCC[C@H](NCc2nnc3n2CCCCC3)C1
432002762	ZINC000129241165	ref	8.7	-39.44	1	318.461	3.065	2	2	9	COCCCCC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1
210256490	ZINC000272862194	ref	5.85	-36.54	1	303.362	3.27	2	4	6	Cc1cc(NC[C@@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1
178291013	ZINC000236970545	ref	5.5	-51.13	1	351.451	1.219	2	6	7	CCOC(=O)[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)[C@@H](C)CC
210256493	ZINC000272862194	high	5.47	-8.75	0	303.362	3.27	2	5	6	Cc1cc(NC[C@@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2n1
432002766	ZINC000129241165	high	6.61	-8.59	0	318.461	3.065	1	3	9	COCCCCC(=O)NC[C@@H](c1ccc(C)cc1)N1CCCC1
342597613	ZINC000590812090	ref	2.54	-48.27	1	295.408	1.45	2	3	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)C1
365638735	ZINC000625088732	ref	4.87	-9.82	0	313.419	2.419	0	4	5	CCOc1ccccc1N(C)S(=O)(=O)[C@@H]1COC(C)(C)C1
197595869	ZINC000162839147	ref	6.54	-42.52	1	318.421	1.364	2	4	8	CCCC[C@@H](C[NH3+])NC(=O)CCn1c(=O)n(C)c2ccccc21
365638739	ZINC000625086807	ref	4.06	-17.24	0	317.38	2.251	2	2	4	NC(=O)NC[C@@H]1CCCCN1C(=O)CC1CCC(F)(F)CC1
178291014	ZINC000236985327	ref	3.78	-63.52	1	353.488	1.574	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1
136229406	ZINC000293326122	ref	7.18	-15.52	0	230.218	1.273	1	4	4	C=CCC(F)(F)C(=O)Nc1nnc(C)n1C
178291017	ZINC000236984946	ref	3.58	-52.48	1	355.504	1.705	2	3	8	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
136229407	ZINC000293326122	high	6.07	-47.65	-1	230.218	1.273	0	4	4	C=CCC(F)(F)C(=O)[N-]c1nnc(C)n1C
342597614	ZINC000616981234	ref	6.77	-11.74	0	287.367	1.982	0	5	6	CC[C@@H](C)N(CC)C(=O)c1cn(Cc2ccccn2)nn1
342597615	ZINC000616980878	ref	6.11	-17.83	0	253.35	1.443	0	5	6	CC[C@H](C)N(CC)C(=O)Cn1nnnc1C(C)C
214189204	ZINC000278492057	ref	6.47	-12.27	0	303.337	2.166	1	4	3	C[C@@H]1COCC[C@@H]1NC(=O)c1ccn(-c2ccccc2F)n1
282123553	ZINC000533473995	mid	2.84	-7.76	0	295.408	1.372	2	4	3	C[C@H](O)[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[nH]2)C1
365620862	ZINC000354675821	ref	7.73	-10.54	0	299.367	1.376	0	5	4	COC(=O)[C@@H](C)CC(=O)N1CC[C@@H](C(=O)OC(C)(C)C)C1
214189208	ZINC000278492056	ref	7.83	-11.01	0	321.398	3.15	0	6	7	COC[C@@H](OC(=O)[C@H](C)Oc1cccc(C)c1)c1nccs1
214189213	ZINC000278492629	ref	7.09	-10.82	0	318.461	3.435	2	2	7	Cc1ccc([C@@H]2C[C@@H](C)N(C(=O)NCCCCCCO)C2)cc1
214189217	ZINC000278493882	ref	3.9	-18.69	0	323.78	2.627	2	5	6	CC[C@H](O)c1nccn1CC(=O)Nc1ccc(OC)c(Cl)c1
214189221	ZINC000278492508	ref	1.61	-11.63	0	306.284	2.357	3	3	4	COc1cc(C)c(NC(=O)NC[C@@H](O)C(F)(F)F)cc1C
342081882	ZINC000625329192	mid	5.59	-36.3	1	255.406	1.271	1	2	7	CCN1CCC[C@H]1C[N@@H+](CC)CCC(=O)N(C)C
214189230	ZINC000278492467	ref	7.73	-13.44	0	316.323	3.269	0	3	3	C[C@H]1CCC[C@H](C)N1C(=O)COc1ccnc(C(F)(F)F)c1
365620870	ZINC000354677081	ref	2.04	-36.11	-1	289.319	1.817	0	3	5	COCCS(=O)(=O)[N-]C1(C(F)(F)F)CCCCC1
282123554	ZINC000533473995	mid	3.09	-35.07	-1	295.408	1.372	1	4	3	C[C@H](O)[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1
343994294	ZINC000599271886	mid	9.08	-49.63	1	281.363	1.894	1	4	6	Cn1cc(CC[N@@H+](Cc2ccc(C#N)cc2)C2CC2)nn1
365620882	ZINC000367178858	ref	3.26	-11.37	0	295.408	1.081	0	4	4	O=S(=O)(C1CC1)N1CCCN(Cc2ccccn2)CC1
214189237	ZINC000278493651	ref	7.32	-11.32	0	302.378	1.946	1	5	7	COCCC(C)(C)C(=O)NCc1ncnn1-c1ccccc1
214189241	ZINC000278493630	ref	7.1	-13.03	0	315.425	1.497	0	7	5	CCn1ncnc1CN1CCC(N(C)c2ccc(C)nn2)CC1
185089727	ZINC000096075987	high	5.3	-7.68	0	258.369	1.85	0	4	3	Cc1ccc(N2CC[C@]3(CCN3CC3CC3)C2)nn1
282123555	ZINC000533474556	ref	3.0	-14.13	0	251.33	1.064	1	4	3	C[C@H](O)[C@@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1
214189244	ZINC000278493630	low	9.71	-58.52	1	315.425	1.497	1	6	5	CCn1ncnc1C[NH+]1CCC(N(C)c2ccc(C)nn2)CC1
214189248	ZINC000278493755	ref	6.02	-15.62	0	316.401	3.035	2	3	5	CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
214189252	ZINC000278493826	ref	7.28	-9.59	0	307.35	1.572	1	5	5	C[C@@H]1COCC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-]
342081883	ZINC000625327810	ref	5.4	-10.19	0	264.325	1.878	1	3	3	CCN(C)C(=O)NC[C@@]1(C)COc2ccccc2O1
365620866	ZINC000336541683	ref	3.56	-16.66	0	263.347	2.315	1	5	3	Cc1csc(CNC(=O)c2cscc2C#N)n1
282123556	ZINC000533473655	ref	5.04	-44.01	1	291.399	1.891	3	3	5	CCc1ncc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cn1
342081884	ZINC000625327567	ref	2.65	-8.11	0	290.429	1.532	1	3	6	C=CC(C)(C)CCNS(=O)(=O)N1C[C@H](C)O[C@H](C)C1
342081885	ZINC000625327690	ref	2.91	-15.87	0	285.365	1.546	1	4	5	CCCS(=O)(=O)NC[C@@]1(C)COc2ccccc2O1
342081886	ZINC000625327764	ref	2.56	-9.64	0	254.355	1.962	1	3	6	C=CC(C)(C)CCNS(=O)(=O)c1cccnc1
365620875	ZINC000336541311	ref	7.99	-19.33	0	261.296	2.474	0	2	1	O=C1CCC(C(=O)N2CCc3cccc(F)c32)CC1
293078800	ZINC000561317600	ref	1.6	-7.18	0	256.39	1.24	2	3	5	CC1CN([C@H](C)C(=O)N[C@H](CO)CC(C)(C)C)C1
398245975	ZINC000649443817	ref	7.51	-7.34	0	230.311	3.184	0	3	4	CCCOc1ccccc1-c1cnn(C)c1C
342081887	ZINC000625328848	ref	2.73	-11.17	0	297.302	1.458	1	4	5	CC1(S(=O)(=O)NC[C@@H](n2cccn2)C(F)(F)F)CC1
214189206	ZINC000053566417	ref	5.22	-22.98	0	338.454	2.616	2	5	6	COc1ccc(CNC(=O)Cc2sc(=S)[nH]c2C)cc1OC
282123557	ZINC000533473655	mid	4.97	-43.77	1	291.399	1.891	3	3	5	CCc1ncc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cn1
342081888	ZINC000625327539	ref	1.9	-35.94	1	278.356	1.471	2	5	5	NC(=O)[C@@H]1CCCC[C@@H]1NCc1noc(C2CCC2)n1
365620884	ZINC000336541575	ref	6.83	-11.02	0	265.334	2.159	0	4	2	COC(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@H]32)s1
398245981	ZINC000649444053	ref	7.73	-44.61	1	248.276	3.413	1	1	2	FC(F)n1ccc2ccc(C3=CC[NH2+]CC3)cc21
365620895	ZINC000336541572	ref	5.89	-11.77	0	265.334	2.159	0	4	2	COC(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@@H]32)s1
365620904	ZINC000336541068	ref	7.46	-19.2	0	293.432	2.297	0	2	3	Cc1cccc(CCC(=O)N2CC[C@H](C)[S@@](=O)CC2)c1
365620913	ZINC000336541034	ref	7.83	-10.26	0	276.384	2.159	1	3	3	CN(Cc1cn2c(n1)CCCC2)C(=O)N[C@@H]1CC1(C)C
365620920	ZINC000336541034	low	8.26	-28.94	1	276.384	2.159	1	2	3	CN(Cc1cn2c([nH+]1)CCCC2)C(=O)N[C@@H]1CC1(C)C
365620925	ZINC000336541562	ref	4.4	-20.75	0	296.417	2.07	1	3	1	C[C@H]1CN(C(=O)c2cc3sccc3[nH]2)CC[S@](=O)C1
398245984	ZINC000649444045	ref	7.8	-44.66	1	241.334	3.248	1	1	1	CC1(C)C=Cc2cc(C3=CC[NH2+]CC3)ccc2O1
282123558	ZINC000533474257	ref	4.3	-7.68	0	277.368	1.833	1	4	3	CC(C)c1ncncc1C(=O)N1CCC[C@@H]([C@@H](C)O)C1
342081889	ZINC000625327539	low	1.9	-35.94	1	278.356	1.471	2	4	5	NC(=O)[C@@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1
342081890	ZINC000625327774	ref	7.11	-41.52	1	295.289	1.665	1	4	6	Cc1cncn1CC(=O)NCCOc1ccc(F)c(F)c1
342081891	ZINC000625327774	mid	7.11	-41.52	1	295.289	1.665	1	3	6	Cc1c[nH+]cn1CC(=O)NCCOc1ccc(F)c(F)c1
398245983	ZINC000390773093	mid	5.06	-100.79	2	214.353	1.485	2	1	4	C[NH2+]CCC[N@@H+]1CC(C)(C)OCC1(C)C
398245985	ZINC000390773093	mid	5.06	-100.82	2	214.353	1.485	2	1	4	C[NH2+]CCC[N@H+]1CC(C)(C)OCC1(C)C
342081892	ZINC000625327307	ref	3.41	-10.53	0	250.224	1.258	1	3	3	CN(C)C(=O)NC[C@@H](n1cccn1)C(F)(F)F
342081893	ZINC000625329471	ref	2.89	-14.23	0	260.384	1.753	1	4	6	O=S(=O)(CCC1CCC1)NCc1ccns1
342081894	ZINC000625328887	ref	-1.77	-7.45	0	265.338	1.37	2	6	6	COc1cncc(CN[C@H](CO)c2ccsc2)n1
185089731	ZINC000096075228	ref	7.21	-34.13	1	288.439	2.261	1	3	4	Cn1ccc(CN2CCC3(CCC[N@@H+]3CC3CC3)CC2)n1
365620881	ZINC000623043301	ref	1.13	-14.81	0	308.382	1.112	2	4	6	COc1nc(C)cc(C)c1CN(C)C(=O)C[C@H](C)NC(N)=O
365620892	ZINC000623044908	ref	0.63	-9.03	0	316.308	1.414	4	4	4	Nc1c(C(=O)N[C@@H](C(F)F)C2CCCCC2)[nH]c(=O)[nH]c1=O
365620902	ZINC000623044908	high	-1.23	-37.75	-1	316.308	1.414	3	4	4	Nc1c(C(=O)N[C@@H](C(F)F)C2CCCCC2)[nH]c(=O)[n-]c1=O
342081895	ZINC000625328887	low	-0.52	-44.61	1	265.338	1.37	2	5	6	COc1cncc(C[NH2+][C@H](CO)c2ccsc2)n1
342081896	ZINC000625329011	ref	2.19	-13.8	0	296.373	1.557	1	5	4	O=S(=O)(NCc1ccns1)c1cccc2c1OCC2
365638724	ZINC000123567497	mid	6.35	-36.88	1	265.401	2.335	2	3	4	CC[C@](C)(O)C[N@H+]1CCC[C@@H]1c1c(C)nn(C)c1C
365638727	ZINC000123493788	ref	6.47	-10.94	0	288.391	2.341	1	3	3	O=C(N[C@@H]1CCCN(c2ccccc2)C1)[C@@H]1CCCCO1
342081897	ZINC000625328836	ref	1.23	-10.16	0	270.398	1.533	3	4	6	CC(C)(C)CNC(=O)CN[C@H](CO)c1ccsc1
365638732	ZINC000123502653	ref	3.22	-7.25	0	290.182	2.302	1	2	4	C=C[C@@H](C)NS(=O)(=O)c1ccc(Br)cc1
185089732	ZINC000096075228	mid	7.28	-33.93	1	288.439	2.261	1	3	4	Cn1ccc(CN2CCC3(CCC[N@H+]3CC3CC3)CC2)n1
185089734	ZINC000096078544	ref	4.71	-42.36	1	281.356	-0.017	2	5	4	OCC[N@@H+]1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1
365638737	ZINC000123429287	ref	3.45	-46.21	-1	292.354	2.302	2	2	4	C=C(C)C[NH+]1CCC(NC(=O)c2c([O-])cccc2F)CC1
342081898	ZINC000625328836	mid	2.48	-43.37	1	270.398	1.533	3	3	6	CC(C)(C)CNC(=O)C[NH2+][C@H](CO)c1ccsc1
365638741	ZINC000123429287	mid	5.09	-40.24	1	292.354	2.302	3	2	4	C=C(C)C[NH+]1CCC(NC(=O)c2c(O)cccc2F)CC1
342081899	ZINC000625327688	ref	2.96	-12.59	0	285.365	1.546	1	4	5	CCCS(=O)(=O)NC[C@]1(C)COc2ccccc2O1
343994297	ZINC000139325810	high	0.43	-39.35	-1	114.1	-0.721	1	3	0	O=C1CCC([O-])=C1O
342597616	ZINC000590812537	ref	5.56	-40.82	1	264.373	1.331	1	3	3	Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)nn1C
398245986	ZINC000650858924	ref	4.97	-8.09	0	270.373	1.623	1	3	7	CCN(C(=O)NCCOCC1CC1)[C@H]1CCCOC1
342597617	ZINC000590799350	ref	6.38	-13.75	0	295.364	1.875	1	5	4	COC(=O)Cc1csc(NC(=O)N2CC[C@@H]2C2CC2)n1
365620886	ZINC000274309049	ref	3.09	-9.3	0	253.277	1.125	0	5	3	COC(=O)[C@]1(F)CCN([C@H](C)c2cnccn2)C1
365620891	ZINC000274309049	low	5.49	-39.44	1	253.277	1.125	1	4	3	COC(=O)[C@]1(F)CC[N@@H+]([C@H](C)c2cnccn2)C1
365620898	ZINC000274309049	low	5.53	-36.34	1	253.277	1.125	1	4	3	COC(=O)[C@]1(F)CC[N@H+]([C@H](C)c2cnccn2)C1
365620906	ZINC000637717155	ref	3.61	-44.98	1	291.395	1.249	4	2	5	Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@H](C)O)C2)cc1
342597618	ZINC000590799842	ref	7.65	-13.2	0	275.312	1.47	1	5	2	Cc1cc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)no1
365620911	ZINC000637717155	mid	3.61	-45.03	1	291.395	1.249	4	2	5	Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H](C)O)C2)cc1
342597619	ZINC000590799842	low	8.36	-38.79	1	275.312	1.47	1	4	2	Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)no1
365620919	ZINC000637717155	high	1.17	-9.94	0	291.395	1.249	3	3	5	Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](C)O)C2)cc1
365620926	ZINC000274313755	ref	2.83	-18.26	0	296.396	1.678	2	4	4	CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)Nc2cncnc2)C1
197595884	ZINC000290103819	ref	1.92	-16.02	0	274.206	0.826	1	6	3	Cn1cc(C(=O)Nc2cnn(CC(F)(F)F)c2)nn1
214189210	ZINC000293619680	ref	7.76	-26.69	0	363.805	0.547	1	6	5	Cn1cnn(CCC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)c1=O
342597620	ZINC000590799266	ref	4.53	-12.5	0	283.353	1.923	2	5	5	CCC1(NC(=O)Nc2nc(CC(=O)OC)cs2)CC1
214189214	ZINC000293630859	ref	3.14	-86.92	0	364.431	0.629	2	6	5	CC(C)(CCC[NH3+])NC(=O)c1ccc2c(c1)S(=O)(=O)[N-]c1ncnn1-2
214189219	ZINC000293617902	ref	4.39	-9.49	0	365.342	0.942	1	7	4	CCOC1CN(C(=O)C(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)C1
342597621	ZINC000590812744	ref	6.56	-44.34	1	275.396	1.922	1	2	4	Cc1ccc(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cn1
365620935	ZINC000274313921	ref	4.79	-42.18	1	296.798	1.781	3	2	6	C[NH+](C)C/C=C/C(=O)NC[C@](C)(O)c1ccccc1Cl
342597622	ZINC000590812088	ref	2.56	-47.7	1	295.408	1.45	2	3	4	CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(C(N)=O)s2)C1
342597623	ZINC000590799626	ref	4.99	-46.66	-1	278.341	1.026	0	5	1	O=C(N=c1[n-]ncs1)N1CCC[C@H](n2ccnc2)C1
398245990	ZINC000650859148	ref	0.8	-11.43	0	270.373	1.406	3	3	4	C[C@@H]1CC[C@@H](NC(=O)NCC[C@]2(O)CCOC2)CC1
178291019	ZINC000236984946	high	3.29	-11.5	0	355.504	1.705	2	4	8	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
178291021	ZINC000236979823	ref	4.81	-55.18	1	365.499	1.599	2	3	7	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@H]2CCC[NH2+]C2)cc1
178291024	ZINC000236966533	ref	6.65	-50.25	-1	351.794	1.926	1	7	8	CC[C@@H](C(=O)NCCCC(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
365620890	ZINC000121826390	ref	4.49	-7.81	0	257.337	2.157	1	3	3	C[C@@]1(c2ccccc2)CN(Cc2ncc[nH]2)CCO1
178291026	ZINC000236982839	ref	4.12	-58.06	1	353.488	1.528	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1
365620899	ZINC000121826390	low	5.11	-34.58	1	257.337	2.157	1	2	3	C[C@@]1(c2ccccc2)CN(Cc2[nH]cc[nH+]2)CCO1
365620908	ZINC000121827210	ref	6.82	-35.95	1	290.386	2.303	1	3	7	C[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1cccc(F)c1)N(C)C
282123559	ZINC000533473993	ref	3.93	-7.22	0	295.408	1.372	2	5	4	C[C@@H](O)[C@@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1
178291028	ZINC000236983667	ref	4.1	-52.11	1	353.488	1.528	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1
282123560	ZINC000533473993	mid	2.64	-7.76	0	295.408	1.372	2	4	3	C[C@@H](O)[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[nH]2)C1
178291030	ZINC000236979478	ref	4.57	-61.98	1	365.499	1.584	2	3	9	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H](C[NH3+])C2CC2)cc1
365620916	ZINC000121828208	ref	3.62	-6.0	0	283.759	2.224	2	3	4	CC(C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)nc1
365620927	ZINC000121823106	ref	5.13	-12.66	0	290.407	2.37	2	2	8	CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(N)=O)cc1
343994298	ZINC000079922358	ref	5.67	-8.77	0	277.295	2.275	1	3	4	O=C(/C=C/C1CC1)NCc1cc(F)cc2c1OCOC2
282123561	ZINC000533473993	mid	2.99	-34.36	-1	295.408	1.372	1	4	3	C[C@@H](O)[C@@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1
178291033	ZINC000236975863	ref	5.33	-93.65	2	358.446	1.395	3	5	7	C[NH+](C)CCOc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1
178291036	ZINC000236975863	high	2.87	-55.49	1	358.446	1.395	2	6	7	CN(C)CCOc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1
365620938	ZINC000121828732	ref	6.48	-14.24	0	294.395	2.002	1	3	7	O=C(CCN1C(=O)CCC1=O)NCCCC1CCCCC1
178291038	ZINC000236966765	ref	6.3	-56.36	1	371.441	1.279	2	6	7	CCOC(=O)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1
270249160	ZINC000182265577	mid	7.0	-12.54	0	281.297	1.898	2	6	4	CCc1n[nH]c(NC(=O)c2cc([N+](=O)[O-])c(C)s2)n1
299072335	ZINC000458835276	ref	6.25	-20.36	0	299.374	3.251	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1)c1cc[nH]c(=O)c1
398245987	ZINC000650439063	ref	4.45	-12.34	0	225.317	2.335	2	3	4	CCCNC(=O)Nc1ncccc1SC
398245989	ZINC000650439084	ref	5.22	-12.23	0	239.344	2.725	2	3	5	CCCCNC(=O)Nc1ncccc1SC
197595885	ZINC000162844495	ref	2.83	-5.57	0	303.2	2.311	1	4	4	COCCn1ncc(Br)c1[C@@H]1CCCC[C@H]1O
398245992	ZINC000650439442	ref	5.69	-10.64	0	217.259	2.338	1	1	4	CC(F)(F)CCNC(=O)[C@H]1CC12CCC2
197595891	ZINC000162843150	ref	7.69	-6.28	0	305.809	4.048	1	4	4	COc1cccc(CNc2cc(Cl)nc(C(C)(C)C)n2)c1
197595893	ZINC000162846447	ref	5.24	-17.65	0	314.341	1.477	1	5	3	Cn1c(C(=O)NCc2ccc3c(c2)OCCCO3)cccc1=O
214189216	ZINC000053559283	ref	11.64	-15.85	0	336.439	3.576	1	3	6	Cc1ccccc1CN(C)C(=O)NCCCn1cnc2ccccc21
136229408	ZINC000184982376	ref	1.16	-11.72	0	227.304	0.549	2	3	7	C#CCC(C)(C)C(=O)NCC[C@@H](O)COC
136229409	ZINC000195250646	ref	2.12	-10.81	0	235.349	1.129	1	3	7	CO[C@@H](C)CS(=O)(=O)N[C@H](C)CC1CC1
214189229	ZINC000053571613	ref	9.52	-20.65	0	347.323	2.848	0	7	8	COC(=O)c1ccc(OCCOc2ccccc2OC)c([N+](=O)[O-])c1
214189235	ZINC000053574822	ref	8.35	-17.21	0	347.459	2.73	0	4	4	CN(CCc1ccccn1)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1
214189239	ZINC000053573882	ref	5.41	-14.93	0	335.385	3.139	2	5	6	C[C@H](Nc1ccccc1[N+](=O)[O-])c1ccc(NS(C)(=O)=O)cc1
342081900	ZINC000625327568	ref	2.7	-8.02	0	290.429	1.532	1	3	6	C=CC(C)(C)CCNS(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
342081901	ZINC000625329423	ref	2.89	-13.39	0	296.364	1.998	1	4	5	O=S(=O)(C[C@@H]1CCCC1(F)F)NCc1ccns1
136229410	ZINC000293199322	ref	0.83	-7.23	0	214.652	1.774	1	3	3	C=C(Cl)CNC(=O)c1nc(C)oc1C
342081902	ZINC000625329423	high	2.5	-38.85	-1	296.364	1.998	0	4	5	O=S(=O)(C[C@@H]1CCCC1(F)F)[N-]Cc1ccns1
342081903	ZINC000625327540	ref	2.01	-33.65	1	278.356	1.471	2	5	5	NC(=O)[C@H]1CCCC[C@@H]1NCc1noc(C2CCC2)n1
342081904	ZINC000625327540	low	2.01	-33.65	1	278.356	1.471	2	4	5	NC(=O)[C@H]1CCCC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1
342081905	ZINC000625327874	ref	5.0	-44.58	1	275.414	1.31	1	3	6	CCO[C@H](C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1)C1CC1
342081906	ZINC000625327874	mid	3.52	-12.43	0	275.414	1.31	1	3	6	CCO[C@H](C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1)C1CC1
342081907	ZINC000625327874	mid	3.52	-12.43	0	275.414	1.31	0	4	6	CCO[C@H](CN1CCC[C@@H](S(C)(=O)=O)C1)C1CC1
342081908	ZINC000625329422	ref	2.89	-13.66	0	296.364	1.998	1	4	5	O=S(=O)(C[C@H]1CCCC1(F)F)NCc1ccns1
365620900	ZINC000367178858	low	5.77	-42.69	1	295.408	1.081	1	3	4	O=S(=O)(C1CC1)N1CCC[N@H+](Cc2ccccn2)CC1
365620909	ZINC000367178858	low	5.47	-46.7	1	295.408	1.081	1	3	4	O=S(=O)(C1CC1)N1CCC[N@@H+](Cc2ccccn2)CC1
365620917	ZINC000354676311	ref	5.68	-9.92	0	288.395	1.95	0	4	2	C[C@@H]1C[C@@H](C)N(C(=O)C2CCN(c3cnccn3)CC2)C1
365620930	ZINC000354678464	ref	6.3	-54.6	1	259.357	1.581	2	3	7	Cc1ccc(CCC[NH2+]CCc2nc(C)n[nH]2)cn1
365620943	ZINC000354678464	mid	6.29	-48.06	1	259.357	1.581	2	3	7	Cc1ccc(CCC[NH2+]CCc2n[nH]c(C)n2)cn1
365620948	ZINC000354678464	mid	6.68	-55.42	1	259.357	1.581	2	3	7	Cc1ccc(CCC[NH2+]CCc2nnc(C)[nH]2)cn1
342081909	ZINC000625329422	high	2.5	-39.28	-1	296.364	1.998	0	4	5	O=S(=O)(C[C@H]1CCCC1(F)F)[N-]Cc1ccns1
342081910	ZINC000625327387	ref	1.8	-7.02	0	269.37	1.31	0	6	2	c1nnsc1CN1CCOC2(CCOCC2)CC1
365620957	ZINC000354675896	ref	6.32	-34.82	1	295.427	1.234	2	2	4	C[C@H]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1
365620964	ZINC000354675896	high	4.86	-4.13	0	295.427	1.234	1	3	4	C[C@H]1CC[C@@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C1
365620972	ZINC000639790535	ref	5.96	-61.46	1	296.374	1.698	2	3	3	O=C1CC[C@@H](C[N@@H+]2CC[C@H](c3ccc4cccnc4n3)C2)N1
365620979	ZINC000639790535	mid	6.17	-60.94	1	296.374	1.698	2	3	3	O=C1CC[C@@H](C[N@H+]2CC[C@H](c3ccc4cccnc4n3)C2)N1
365620986	ZINC000639790535	high	3.73	-17.15	0	296.374	1.698	1	4	3	O=C1CC[C@@H](CN2CC[C@H](c3ccc4cccnc4n3)C2)N1
365620990	ZINC000354676255	ref	3.06	-45.97	1	297.305	1.162	3	2	5	O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(F)c1F
342081911	ZINC000625327387	low	3.93	-51.55	1	269.37	1.31	1	5	2	c1nnsc1C[N@@H+]1CCOC2(CCOCC2)CC1
342081912	ZINC000625327387	low	3.94	-48.85	1	269.37	1.31	1	5	2	c1nnsc1C[N@H+]1CCOC2(CCOCC2)CC1
342081913	ZINC000625327368	ref	3.4	-7.81	0	297.395	1.252	0	5	5	O=C1CCC[C@@H]1[C@H]1COCCN1CCOC1CCOCC1
342081914	ZINC000625327368	mid	5.45	-39.57	1	297.395	1.252	1	4	5	O=C1CCC[C@@H]1[C@H]1COCC[N@@H+]1CCOC1CCOCC1
365621000	ZINC000354678322	ref	3.96	-41.42	1	280.368	1.508	3	3	4	Cc1oc(C(C)C)cc1C(=O)NC[C@]1(O)CC[N@H+](C)C1
342081915	ZINC000625327368	mid	5.07	-39.03	1	297.395	1.252	1	4	5	O=C1CCC[C@@H]1[C@H]1COCC[N@H+]1CCOC1CCOCC1
365621010	ZINC000354678322	mid	4.02	-41.97	1	280.368	1.508	3	3	4	Cc1oc(C(C)C)cc1C(=O)NC[C@]1(O)CC[N@@H+](C)C1
365621019	ZINC000354678322	high	1.47	-8.4	0	280.368	1.508	2	4	4	Cc1oc(C(C)C)cc1C(=O)NC[C@]1(O)CCN(C)C1
342597624	ZINC000590799626	low	5.7	-54.65	0	278.341	1.026	0	4	1	O=C(N=c1[n-]ncs1)N1CCC[C@H](n2cc[nH+]c2)C1
342597625	ZINC000616980724	ref	6.96	-38.86	1	269.433	1.661	1	2	7	CC[C@H](C)N(CC)C(=O)CCN1CC[NH+](CC)CC1
342597626	ZINC000616980724	mid	7.11	-38.61	1	269.433	1.661	1	2	7	CC[C@H](C)N(CC)C(=O)CC[NH+]1CCN(CC)CC1
342597627	ZINC000616980724	high	4.69	-7.29	0	269.433	1.661	0	3	7	CC[C@H](C)N(CC)C(=O)CCN1CCN(CC)CC1
365620905	ZINC000641589518	ref	3.32	-12.82	0	260.318	1.503	1	4	1	O=C(c1nccc2ccsc12)N1C[C@@H]2C[C@]2(O)C1
299072336	ZINC000358087185	mid	7.63	-13.16	0	319.796	1.802	1	5	4	C[C@H](N[C@@H]1CC(=O)N(C)C1)c1ccc(-n2cncn2)cc1Cl
342597628	ZINC000616981068	ref	6.14	-12.77	0	256.375	1.852	1	4	6	CC[C@@H](C)N(CC)C(=O)CSc1n[nH]c(C)n1
342597629	ZINC000616981068	mid	6.53	-11.06	0	256.375	1.852	1	4	6	CC[C@@H](C)N(CC)C(=O)CSc1nnc(C)[nH]1
197595904	ZINC000290101945	ref	7.46	-9.23	0	295.81	3.348	1	2	6	O=C(CCCc1ccccc1Cl)NC[C@H]1CCCCO1
342597630	ZINC000616981068	mid	6.21	-8.82	0	256.375	1.852	1	4	6	CC[C@@H](C)N(CC)C(=O)CSc1nc(C)n[nH]1
365620915	ZINC000641589515	ref	3.34	-12.97	0	260.318	1.503	1	4	1	O=C(c1nccc2ccsc12)N1C[C@H]2C[C@@]2(O)C1
365620923	ZINC000641589251	ref	3.37	-10.38	0	263.341	1.349	2	3	5	CCCCCc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)[nH]n1
342597631	ZINC000616984526	ref	5.71	-14.61	0	297.399	1.744	1	3	7	CC[C@@H](C)N(CC)C(=O)CCCN1C(=O)NC(C)(C)C1=O
282119983	ZINC000372268754	ref	8.29	-40.95	1	348.466	2.164	2	2	4	CN1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccc(F)cc1
299072337	ZINC000358088896	ref	3.17	-52.95	1	300.424	1.963	2	3	9	COCCC[C@@H](C)[NH2+]Cc1cccc(NS(C)(=O)=O)c1
342597632	ZINC000616981447	ref	9.48	-13.74	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1ccnc(-n2cncn2)c1
342597633	ZINC000590798444	ref	8.56	-105.22	2	279.388	1.039	3	2	7	C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccn1
365620929	ZINC000641589251	mid	3.53	-11.13	0	263.341	1.349	2	3	5	CCCCCc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)n[nH]1
197595915	ZINC000290102886	ref	7.25	-43.35	1	294.826	2.777	2	1	6	CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCCc1ccc(Cl)cc1
342597634	ZINC000590798444	high	6.09	-53.53	1	279.388	1.039	2	3	7	CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccn1
197595918	ZINC000290102459	ref	3.08	-61.73	1	269.37	1.323	2	4	3	COC(C)(C)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2
342597635	ZINC000590798444	high	3.61	-12.46	0	279.388	1.039	1	4	7	CN(C)CCN(CCN(C)C)C(=O)Nc1ccccn1
342597636	ZINC000590812808	ref	3.38	-16.48	0	263.272	1.684	2	3	1	C[C@@H]1[C@H](O)CCN1C(=O)Nc1ccc(F)c(C#N)c1
342081916	ZINC000625327876	ref	5.12	-43.61	1	275.414	1.31	1	3	6	CCO[C@@H](C[N@@H+]1CCC[C@@H](S(C)(=O)=O)C1)C1CC1
214189222	ZINC000293625141	ref	3.96	-19.16	0	373.369	0.24	1	8	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(-n2cc(C(=O)OC)nn2)c1
214189227	ZINC000293627522	ref	0.1	-9.59	0	374.254	0.899	2	4	5	C[C@@](O)(CN1CCN(CC(N)=O)CC1)c1ccc(Br)cc1F
349535559	ZINC000093300313	ref	1.39	-7.21	0	292.335	0.863	2	4	2	COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)cc1
342081917	ZINC000625327876	mid	2.89	-11.3	0	275.414	1.31	1	3	6	CCO[C@@H](C[N@H+]1CCC[C@@H](S(C)(=O)=O)C1)C1CC1
342081918	ZINC000625327876	mid	2.89	-11.3	0	275.414	1.31	0	4	6	CCO[C@@H](CN1CCC[C@@H](S(C)(=O)=O)C1)C1CC1
214189232	ZINC000293627522	low	2.08	-39.69	1	374.254	0.899	3	3	5	C[C@@](O)(C[NH+]1CCN(CC(N)=O)CC1)c1ccc(Br)cc1F
214189236	ZINC000293616764	ref	0.43	-16.98	0	355.416	0.089	2	5	5	CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N2CC[C@@H]2COC)c1
214189240	ZINC000293619925	ref	1.88	-15.78	0	362.423	0.859	1	5	10	CCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCOCCOC)c1
214189246	ZINC000293631237	ref	1.08	-20.9	0	361.398	0.395	3	5	4	NC(=O)COc1cccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)c1
214189250	ZINC000293631270	ref	3.07	-15.48	0	370.413	0.851	3	6	7	Cn1ncc(CCCNC(=O)C(=O)Nc2cccc(NC(=O)C3CC3)c2)n1
214189254	ZINC000293626976	ref	4.17	-12.62	0	371.397	0.961	1	7	2	O=C(Nc1ccc(-n2ccnn2)cc1)C(=O)N1CCC2(CC1)OCCCO2
214189259	ZINC000293629210	ref	0.16	-23.02	0	357.407	0.353	2	4	7	C[C@@H](NS(C)(=O)=O)C(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1
214189262	ZINC000293634443	ref	3.61	-17.54	0	361.398	0.99	2	5	5	CCOC1CN(C(=O)C(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1
342081919	ZINC000625329056	ref	4.36	-10.74	0	291.351	1.517	0	6	5	O=C(C1CC1)[C@H]1CN(Cc2noc(C3CCC3)n2)CCO1
214189265	ZINC000293635069	ref	1.74	-22.5	0	352.391	0.875	0	5	3	CN(C(=O)c1cc2nccnc2cc1F)[C@H]1CCN(S(C)(=O)=O)C1
214189268	ZINC000293629905	ref	1.48	-12.6	0	371.319	0.271	2	6	4	N#Cc1ccc(NC(=O)C(=O)NC[C@H](N2CCOCC2)C(F)(F)F)nc1
214189271	ZINC000293629356	ref	6.71	-92.5	2	363.506	0.937	4	3	10	C[C@@H](CNC(=O)c1cncc(C(=O)NC[C@@H](C)C[NH+](C)C)c1)C[NH+](C)C
214189274	ZINC000293625551	ref	5.34	-46.33	1	358.446	0.607	3	5	8	Cn1ncc(CCCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)n1
342081920	ZINC000625327363	ref	4.03	-7.36	0	297.395	1.252	0	5	5	O=C1CCC[C@@H]1[C@@H]1COCCN1CCOC1CCOCC1
365620934	ZINC000336541058	ref	7.82	-17.7	0	293.432	2.297	0	2	3	Cc1ccc(CCC(=O)N2CC[C@@H](C)[S@](=O)CC2)cc1
178291042	ZINC000236982037	ref	3.46	-9.06	0	353.413	1.548	1	4	4	CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2COCCN2)CC1
178291045	ZINC000236982037	mid	4.69	-43.31	1	353.413	1.548	1	3	4	CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1
178291047	ZINC000236972811	ref	6.44	-57.11	-1	351.428	1.758	1	6	8	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H](C)Cn1cccn1
178291049	ZINC000236974677	ref	5.97	-55.01	-1	361.192	1.484	1	5	7	CCC[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)o1)C(=O)[O-]
365620940	ZINC000336541066	ref	7.57	-13.7	0	293.432	2.297	0	2	3	Cc1cccc(CCC(=O)N2CC[C@H](C)[S@](=O)CC2)c1
365620946	ZINC000336541060	ref	8.02	-15.26	0	293.432	2.297	0	2	3	Cc1ccc(CCC(=O)N2CC[C@@H](C)[S@@](=O)CC2)cc1
178291053	ZINC000236964795	ref	7.54	-51.3	1	353.422	1.807	2	3	5	CN(C)C(=O)COc1cccc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1
178291055	ZINC000236964795	mid	6.18	-16.76	0	353.422	1.807	2	4	5	CN(C)C(=O)COc1cccc(NC(=O)[C@H]2Cc3ccccc3CN2)c1
282119994	ZINC000069659007	ref	6.29	-18.11	0	330.352	-0.713	2	9	2	Cc1nc2n(n1)C[C@@H](Nc1nc3c(c(=O)[nH]c(=O)n3C)n1C)CC2
365620953	ZINC000336541741	ref	7.82	-36.77	1	272.339	2.117	1	1	3	O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC(C(F)F)CC1
282120020	ZINC000264146382	ref	7.01	-10.18	0	297.284	2.427	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1ncccc1C(F)(F)F)CC2
178291058	ZINC000236983816	ref	3.1	-50.24	1	365.249	1.124	2	4	7	CCOC(=O)c1ccc(S(=O)(=O)NCC[NH2+]C)c(Br)c1
398245988	ZINC000649444035	ref	7.26	-7.85	0	242.322	3.066	0	3	1	Cc1c(-c2ccc3c(c2)C(C)(C)CO3)cnn1C
178291060	ZINC000236983816	high	2.72	-39.45	0	365.249	1.124	1	4	7	CCOC(=O)c1ccc(S(=O)(=O)[N-]CC[NH2+]C)c(Br)c1
365620963	ZINC000336541741	mid	8.25	-35.15	1	272.339	2.117	1	1	3	O=C([C@@H]1CCC[N@H+]1C1CC1)N1CCC(C(F)F)CC1
178291062	ZINC000236966863	ref	7.61	-53.16	-1	351.115	1.977	0	3	4	CCN(CC(=O)[O-])C(=O)c1c(F)cccc1I
178291065	ZINC000236979610	ref	4.8	-55.46	1	365.499	1.599	2	3	7	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCC[NH2+]C2)cc1
365620968	ZINC000336541741	high	5.53	-7.44	0	272.339	2.117	0	2	3	O=C([C@@H]1CCCN1C1CC1)N1CCC(C(F)F)CC1
365620976	ZINC000336541211	ref	5.08	-11.0	0	290.697	2.416	2	2	2	O=C(Nc1ccc(F)cc1Cl)N1C[C@@H](F)C[C@@H]1CO
133428606	ZINC000306488692	ref	3.25	-7.85	0	194.259	1.893	2	2	2	CC#CCNC(=O)Nc1ccsc1
342597637	ZINC000616981182	ref	3.67	-14.67	0	273.354	1.944	0	4	5	CC[C@@H](C)N(CC)C(=O)c1ccc(S(C)(=O)=O)o1
342597638	ZINC000590799425	ref	2.91	-11.94	0	289.335	1.161	2	4	5	CCO[C@@H]1COC[C@H]1NC(=O)NCc1ccc(C#N)cc1
365620937	ZINC000641589593	ref	3.62	-17.78	0	253.248	1.48	1	2	1	Cc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(F)c1F
365620945	ZINC000641589749	ref	5.44	-11.3	0	294.354	1.86	1	3	2	O=C(N1C[C@H]2C[C@@]2(O)C1)C1(c2nccc3ccccc23)CC1
365620956	ZINC000641589444	ref	1.02	-21.08	0	288.225	1.013	2	3	1	O=C(c1cc(C(F)(F)F)c[nH]c1=O)N1C[C@@H]2C[C@]2(O)C1
190491858	ZINC000269403061	ref	0.48	-11.32	0	255.318	-0.456	3	3	5	CCNC(=O)C(C)(C)CNC(=O)C(=O)NC1CC1
185089736	ZINC000096078544	mid	5.3	-41.03	1	281.356	-0.017	2	5	4	OCC[N@H+]1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1
342597639	ZINC000590798961	ref	4.14	-14.38	0	289.332	1.728	2	5	6	COC(=O)Cc1csc(NC(=O)NCC[C@H](C)F)n1
342597640	ZINC000590799369	ref	6.53	-10.05	0	281.319	1.412	1	5	2	Cc1nc(C(=O)N[C@H]2CCc3cc(C#N)ccc32)n(C)n1
365620962	ZINC000641589654	ref	4.06	-14.49	0	298.346	1.091	1	5	2	Cc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(C)n1-c1cnccn1
365620970	ZINC000641589447	ref	0.99	-18.81	0	288.225	1.013	2	3	1	O=C(c1cc(C(F)(F)F)c[nH]c1=O)N1C[C@H]2C[C@@]2(O)C1
197595910	ZINC000162838366	ref	8.81	-13.95	0	321.442	3.263	0	4	4	CS[C@@H](C)CC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2
365620977	ZINC000641589708	ref	5.85	-9.83	0	271.36	1.948	1	2	2	CC1(C)C[C@]1(C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccccc1
365620985	ZINC000479699987	ref	3.5	-9.26	0	298.77	1.668	2	3	6	CO[C@@H](c1ccccc1Cl)[C@H](C)NC(=O)CNC(C)=O
365620991	ZINC000641589428	ref	5.03	-11.89	0	272.348	1.976	2	2	3	O=C(c1cc(C2CC2)[nH]c1C1CC1)N1C[C@@H]2C[C@]2(O)C1
365621001	ZINC000641589557	ref	4.94	-14.64	0	271.316	1.877	1	3	2	Cc1ccc2occ(CC(=O)N3C[C@H]4C[C@@]4(O)C3)c2c1
365621009	ZINC000479699991	ref	3.11	-9.56	0	298.77	1.668	2	3	6	CO[C@H](c1ccccc1Cl)[C@H](C)NC(=O)CNC(C)=O
365621018	ZINC000479697899	ref	3.3	-8.19	0	268.401	1.792	1	3	4	CC[C@@H]1CC[C@@H](NC(=O)[C@H](C)N2CCOCC2)CC1
365621024	ZINC000641589416	ref	5.47	-14.55	0	275.348	1.493	1	3	4	Cc1cccc(CO[C@H](C)C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
342597641	ZINC000590811974	ref	6.01	-45.39	1	298.427	1.559	1	3	6	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)OC[C@@H]2CCCO2)C1
259308658	ZINC000229304364	ref	4.71	-35.98	0	215.293	0.944	2	3	5	C[C@H]1CC[N@H+](CCCCO)[C@@H](C(=O)[O-])C1
365621033	ZINC000641589244	ref	2.55	-12.22	0	253.342	1.175	1	3	2	CC(C)(C(=O)N1C[C@@H]2C[C@]2(O)C1)[C@H]1CCCCO1
365620944	ZINC000274313921	high	2.33	-9.07	0	296.798	1.781	2	3	6	CN(C)C/C=C/C(=O)NC[C@](C)(O)c1ccccc1Cl
365620950	ZINC000274313164	ref	2.87	-12.19	0	278.287	1.831	1	5	4	Cc1noc(CNc2ccc(F)cc2C(=O)N(C)C)n1
365620960	ZINC000274313608	ref	4.7	-34.31	1	267.348	1.373	1	3	5	COCC[N@@H+]1CCN(Cc2cncc(F)c2)C[C@@H]1C
365620969	ZINC000274313608	mid	3.98	-33.32	1	267.348	1.373	1	3	5	COCC[N@H+]1CCN(Cc2cncc(F)c2)C[C@@H]1C
365620974	ZINC000274313608	mid	1.73	-5.62	0	267.348	1.373	0	4	5	COCCN1CCN(Cc2cncc(F)c2)C[C@@H]1C
365620981	ZINC000274313767	ref	4.51	-10.92	0	259.313	1.989	1	5	2	Cc1c(C(=O)Nc2cncnc2)cnn1C(C)(C)C
365620993	ZINC000274309551	ref	5.76	-51.19	1	285.351	1.73	3	3	6	C[N@H+](CCNC(=O)Nc1cncnc1)Cc1ccccc1
365620999	ZINC000274309551	mid	5.78	-51.18	1	285.351	1.73	3	3	6	C[N@@H+](CCNC(=O)Nc1cncnc1)Cc1ccccc1
365621005	ZINC000274309551	high	3.43	-12.23	0	285.351	1.73	2	4	6	CN(CCNC(=O)Nc1cncnc1)Cc1ccccc1
342081921	ZINC000625327363	mid	5.04	-42.72	1	297.395	1.252	1	4	5	O=C1CCC[C@@H]1[C@@H]1COCC[N@@H+]1CCOC1CCOCC1
365621011	ZINC000274313759	ref	2.83	-22.58	0	296.396	1.678	2	4	4	CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)Nc2cncnc2)C1
168364971	ZINC000368499280	high	6.31	-11.14	0	328.412	3.149	2	4	5	COc1cccc2cc([C@H](C)N[C@@H]3CCC(=O)N[C@@H]3C3CC3)oc12
282119995	ZINC000533435293	ref	4.11	-11.67	0	296.374	1.854	1	4	3	CC1(C)C(=O)NCCN1Cc1cnc(-c2ccccc2)nc1
282120001	ZINC000533435293	low	6.17	-48.99	1	296.374	1.854	2	3	3	CC1(C)C(=O)NCC[N@H+]1Cc1cnc(-c2ccccc2)nc1
185089737	ZINC000096078544	low	5.23	-82.37	2	281.356	-0.017	2	4	4	OCC[N@@H+]1CCOC[C@]2(C[C@@H](Cn3cc[nH+]c3)CO2)C1
398245991	ZINC000649444113	ref	6.42	-3.2	0	215.218	3.694	1	1	3	C=C(C)c1ccc(NCC(F)(F)F)cc1
282120004	ZINC000533435293	low	6.19	-48.97	1	296.374	1.854	2	3	3	CC1(C)C(=O)NCC[N@@H+]1Cc1cnc(-c2ccccc2)nc1
365621017	ZINC000274312949	ref	3.2	-12.66	0	275.316	1.601	3	5	4	CC(C)c1nnc([C@H](C)NC(=O)Nc2cncnc2)[nH]1
365621028	ZINC000274312949	mid	2.68	-11.99	0	275.316	1.601	3	5	4	CC(C)c1nc([C@H](C)NC(=O)Nc2cncnc2)n[nH]1
192038063	ZINC000418464342	high	1.99	-37.21	1	244.383	0.707	2	2	8	CCCC[C@H](C[NH3+])NC(=O)N(C)CCN(C)C
259308661	ZINC000229304364	mid	4.23	-35.31	0	215.293	0.944	2	3	5	C[C@H]1CC[N@@H+](CCCCO)[C@@H](C(=O)[O-])C1
365621031	ZINC000274313542	ref	3.04	-39.05	1	267.348	1.109	2	3	5	CC[C@H](O)C[NH+]1CCN(Cc2cncc(F)c2)CC1
365620955	ZINC000121830326	ref	4.62	-9.19	0	298.427	2.309	2	3	10	CCCC1(CNC(=O)NCCCOC[C@H]2CCOC2)CC1
365620965	ZINC000121826953	ref	7.84	-17.26	0	286.331	2.441	0	4	5	COc1cccnc1N(C)C(=O)[C@H](OC)c1ccccc1
365620978	ZINC000121824539	ref	6.99	-14.3	0	278.308	2.17	1	4	5	O=C(C[C@H]1CCCCO1)NCc1ccccc1[N+](=O)[O-]
365620987	ZINC000121822938	ref	3.71	-10.91	0	296.798	2.442	3	2	6	C[C@H](CCO)NC(=O)NCC1(c2ccccc2Cl)CC1
365620997	ZINC000121831400	ref	7.64	-17.97	0	276.38	2.325	1	3	6	O=C(Cn1ccccc1=O)NCCCC1CCCCC1
168364974	ZINC000368499093	ref	9.87	-13.87	0	338.338	3.004	0	4	3	COC(=O)C[C@@H]1CN(C(=O)c2ccc(F)c(C#N)c2)c2ccccc21
282119996	ZINC000372268754	mid	10.08	-87.42	2	348.466	2.164	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C1
365621007	ZINC000121828508	ref	3.96	-8.34	0	289.441	2.108	0	3	5	CC(C)CCS(=O)(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
282120000	ZINC000372268754	mid	10.28	-87.35	2	348.466	2.164	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C1
282120005	ZINC000372478809	ref	5.18	-41.28	1	338.496	1.223	2	3	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C1
282120015	ZINC000372478809	mid	7.57	-87.73	2	338.496	1.223	3	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2[NH+]2CCOCC2)C1
282120029	ZINC000419558126	ref	7.06	-42.6	1	303.406	1.851	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2COCc3ccccc32)C1
282120052	ZINC000251955379	ref	7.0	-42.22	1	307.438	1.537	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1
342081922	ZINC000625327363	mid	5.92	-32.27	1	297.395	1.252	1	4	5	O=C1CCC[C@@H]1[C@@H]1COCC[N@H+]1CCOC1CCOCC1
365621015	ZINC000121822325	ref	5.82	-10.64	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2CC[C@H](C)C[C@H]2C)cnn1C
365621026	ZINC000121827944	ref	5.22	-6.57	0	257.717	2.432	0	3	3	CN(CC1CCOCC1)C(=O)c1ccc(Cl)o1
365621032	ZINC000121829890	ref	7.65	-14.02	0	286.441	2.035	1	3	6	CCSCC[C@H](C)NC(=O)[C@@H]1CCCCN1C(C)=O
365621040	ZINC000121822939	ref	4.83	-8.64	0	253.264	2.214	0	2	5	COCCC1(C(=O)N(C)CC(F)(F)F)CCC1
342081923	ZINC000625329024	ref	3.72	-38.16	1	278.4	1.791	1	4	7	CCN(Cc1ccc(OC)nn1)C[C@@H]1CCC[N@@H+]1CC
192038065	ZINC000418465556	ref	-0.09	-51.28	1	241.335	0.35	4	2	7	C/C=C/C[C@H](CO)NC(=O)N[C@@H](C[NH3+])C1CC1
259308663	ZINC000517230831	ref	1.36	-7.21	0	222.292	0.687	3	3	5	OC1(C[NH2+]Cc2nnc(C3CC3)[nH]2)CCC1
365621050	ZINC000121829016	ref	6.91	-6.43	0	250.342	2.287	1	2	4	C[C@]1(C2CC2)NC(=O)N(CCC2CCCC2)C1=O
214189242	ZINC000337631389	ref	0.12	-11.7	0	289.376	-0.377	1	5	9	COCCOCCNC(=O)N1CCN(CCOC)CC1
342081924	ZINC000625329024	mid	3.56	-40.25	1	278.4	1.791	1	4	7	CCN(Cc1ccc(OC)nn1)C[C@@H]1CCC[N@H+]1CC
214189243	ZINC000337631389	mid	2.41	-43.36	1	289.376	-0.377	2	4	9	COCCOCCNC(=O)N1CC[NH+](CCOC)CC1
214189247	ZINC000337631884	ref	5.53	-8.07	0	290.26	3.123	2	1	4	C[C@H](NC(=O)NC1(C(F)F)CC1)c1c(F)cccc1F
214189251	ZINC000337629446	ref	9.01	-13.34	0	277.372	2.113	1	4	2	Cc1cc(N(C)C)nc(NC(=O)N2C[C@H](C)C[C@@H]2C)n1
214190484	ZINC000278495579	ref	9.65	-38.11	1	320.502	3.461	2	3	5	C[C@@H]1C[NH+](Cc2ccccc2NC[C@@H]2CCSC2)C[C@@H](C)O1
214190486	ZINC000278495579	mid	7.57	-4.49	0	320.502	3.461	1	4	5	C[C@@H]1CN(Cc2ccccc2NC[C@@H]2CCSC2)C[C@@H](C)O1
214190489	ZINC000278495281	ref	9.04	-101.5	2	315.461	3.17	3	1	6	CC(=O)Nc1cccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)c1
214190493	ZINC000278496016	ref	5.66	-12.47	0	301.386	2.74	2	3	6	CC(C)[C@@H](CO)NC(=O)[C@@H](C)Oc1cccc2ccccc12
214190499	ZINC000278494757	ref	7.5	-19.81	0	317.414	2.285	0	5	3	Cc1ccn(CC(=O)N2CCC[C@@H]2c2csc(C)n2)c(=O)c1
214190502	ZINC000278494017	ref	7.02	-8.78	0	310.397	3.212	1	3	3	Cc1cccc(-c2cncc(C(=O)N[C@H]3CCOC[C@@H]3C)c2)c1
290622953	ZINC000492525191	ref	7.2	-45.0	1	287.407	2.392	2	2	4	Cc1ccncc1/C=C\C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1
214190509	ZINC000278494754	ref	7.5	-22.44	0	317.414	2.285	0	5	3	Cc1ccn(CC(=O)N2CCC[C@H]2c2csc(C)n2)c(=O)c1
136229411	ZINC000293196778	ref	3.82	-12.19	0	240.328	1.814	0	3	6	C=CCCCS(=O)(=O)N(C)c1cccnc1
214190513	ZINC000278495582	ref	5.46	-10.95	0	305.378	1.693	1	4	3	C=CC[C@@H]1N(C(=O)c2cn(C)c(=O)[nH]c2=O)CCCC1(C)C
342081925	ZINC000625328837	ref	1.37	-10.55	0	270.398	1.533	3	4	6	CC(C)(C)CNC(=O)CN[C@@H](CO)c1ccsc1
342081926	ZINC000625328837	mid	2.49	-43.39	1	270.398	1.533	3	3	6	CC(C)(C)CNC(=O)C[NH2+][C@@H](CO)c1ccsc1
214190516	ZINC000278495582	high	3.64	-45.79	-1	305.378	1.693	0	4	3	C=CC[C@@H]1N(C(=O)c2cn(C)c(=O)[n-]c2=O)CCCC1(C)C
214190518	ZINC000293659962	mid	5.95	-50.63	-1	355.358	0.527	1	6	4	CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nnn[n-]1
398245993	ZINC000650859017	ref	1.41	-13.36	0	253.346	1.128	3	2	3	C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)CC1
398245996	ZINC000650858640	ref	3.49	-10.72	0	284.4	1.463	2	3	7	C[C@@H](CO)C1CCN(C(=O)NCCOCC2CC2)CC1
168364975	ZINC000082694696	ref	4.48	-40.31	1	193.225	1.363	1	2	2	C[C@@H]([NH3+])Cc1cn2cc(F)ccc2n1
365620967	ZINC000576530445	ref	7.37	-51.41	-1	240.332	1.077	1	5	2	Cn1c(S[C@@H]2CCC(C)(C)C2=O)n[n-]c1=N
342597642	ZINC000590799621	ref	7.06	-18.29	0	288.355	1.968	1	5	3	CCn1cc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)cn1
365620973	ZINC000576530445	low	7.33	-17.43	0	240.332	1.077	1	4	2	Cn1c(S[C@@H]2CCC(C)(C)C2=O)n[n-]c1=[NH2+]
365620982	ZINC000343677182	ref	6.48	-41.56	1	242.388	1.504	2	2	6	C=CC[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1
185089739	ZINC000096078544	low	5.81	-80.54	2	281.356	-0.017	2	4	4	OCC[N@H+]1CCOC[C@]2(C[C@@H](Cn3cc[nH+]c3)CO2)C1
185089740	ZINC000096078544	high	2.82	-10.88	0	281.356	-0.017	1	6	4	OCCN1CCOC[C@]2(C[C@@H](Cn3ccnc3)CO2)C1
290622955	ZINC000004377578	ref	8.48	-8.4	0	277.751	3.266	0	2	1	C[C@H]1CC[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C1
290622959	ZINC000004620368	ref	4.99	-8.48	0	280.393	3.123	2	3	0	C[C@H]1CC[C@@H]2[C@@H](C1)c1c([nH]c(=S)[nH]c1=O)OC2(C)C
290622965	ZINC000004620368	mid	3.84	-45.18	-1	280.393	3.123	1	3	0	C[C@H]1CC[C@@H]2[C@@H](C1)c1c([nH]c(=S)[n-]c1=O)OC2(C)C
365620988	ZINC000343677182	mid	6.49	-42.64	1	242.388	1.504	2	2	6	C=CC[C@H](C)NC(=O)C[N@@H+](C)[C@H]1CCSC1
365620995	ZINC000343677182	mid	4.29	-9.08	0	242.388	1.504	1	3	6	C=CC[C@H](C)NC(=O)CN(C)[C@H]1CCSC1
342597643	ZINC000590799621	low	7.77	-41.27	1	288.355	1.968	1	4	3	CCn1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cn1
365621002	ZINC000576531181	ref	3.14	-11.04	0	227.348	2.258	2	2	9	C=CCCCCNC(=O)C(CC)(CC)CO
365621008	ZINC000576529497	ref	1.02	-12.03	0	242.319	0.13	2	3	4	CC(C)N1C[C@@H](NC(=O)C(C)(C)CO)CC1=O
365621016	ZINC000576530407	ref	1.8	-18.96	0	232.186	-0.485	1	3	2	CN1C(=O)C[C@H](NC(=O)[C@H]2CC2(F)F)C1=O
185089742	ZINC000096078497	ref	3.39	-47.67	1	278.356	0.592	2	5	3	Cc1ccc(NC[C@@H]2CO[C@@]3(C[NH2+]CCOC3)C2)nn1
365621022	ZINC000576530441	ref	3.5	-12.28	0	236.315	0.922	1	2	2	CC1=C[C@H](C)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)C1
214190492	ZINC000293655071	ref	4.37	-20.84	0	357.41	0.826	1	4	4	CCCN1C(=O)c2ccccc2N2C(=O)CC[C@@]12C(=O)N1CC(CO)C1
365621030	ZINC000576529536	ref	3.18	-5.58	0	224.239	1.131	1	5	2	COc1c(N)ncnc1N1CCC=C(F)C1
365621039	ZINC000576529536	low	3.66	-35.11	1	224.239	1.131	1	4	2	COc1c(N2CCC=C(F)C2)nc[nH+]c1N
259308666	ZINC000517230831	mid	2.67	-35.71	0	222.292	0.687	3	4	5	OC1(CNCc2nnc(C3CC3)[nH]2)CCC1
342597644	ZINC000590798190	ref	8.93	-99.35	2	296.39	1.783	3	1	7	C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1F
342597645	ZINC000590798190	high	6.47	-39.83	1	296.39	1.783	2	2	7	CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1F
398245994	ZINC000157377664	ref	6.17	-40.73	1	236.359	1.777	1	1	2	O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@H]1C1CCC1
197595920	ZINC000290103138	ref	2.45	-10.16	0	275.308	1.795	3	3	3	C[C@H]1C[C@@H]1CNC(=O)Nc1cccc2c1OCC(=O)N2
342597646	ZINC000590798190	high	3.99	-7.4	0	296.39	1.783	1	3	7	CN(C)CCN(CCN(C)C)C(=O)Nc1ccccc1F
342597647	ZINC000590799660	ref	6.66	-14.81	0	271.324	1.569	1	4	2	O=C(Nc1ccncc1)N1CCC[C@H](n2ccnc2)C1
365620975	ZINC000625026645	ref	4.34	-10.34	0	301.424	2.483	1	3	6	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H]1CCSC1
365620980	ZINC000625025922	ref	5.02	-16.1	0	301.346	2.093	1	5	4	COc1cccc2c1OCC[C@H]2NC(=O)[C@H](C)n1cccn1
342597648	ZINC000590799660	low	7.37	-39.39	1	271.324	1.569	1	3	2	O=C(Nc1ccncc1)N1CCC[C@H](n2cc[nH+]c2)C1
342597649	ZINC000590798917	ref	4.22	-13.67	0	299.352	1.111	1	6	5	CCOC1CN(C(=O)Nc2nc(CC(=O)OC)cs2)C1
342597650	ZINC000590798519	ref	5.64	-39.81	1	295.427	1.417	3	2	3	O=C(NCC1CCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
342597651	ZINC000590798519	mid	3.64	-8.76	0	295.427	1.417	2	3	3	O=C(NCC1CCCC1)N1CCN([C@H]2CCC[C@H]2O)CC1
365620989	ZINC000625026577	ref	7.21	-41.88	1	317.433	2.22	2	3	6	C[C@@H]1CN(CCNC(=O)c2cc(C3CC3)[nH]c2C2CC2)CCO1
342597652	ZINC000590799735	ref	7.71	-17.09	0	288.355	1.794	1	5	2	Cc1cc(NC(=O)N2CCC[C@@H](n3ccnc3)C2)n(C)n1
365620996	ZINC000625026577	low	7.24	-42.37	1	317.433	2.22	3	2	6	C[C@@H]1C[N@H+](CCNC(=O)c2cc(C3CC3)[nH]c2C2CC2)CCO1
349535562	ZINC000093299559	ref	1.1	-7.63	0	277.324	0.558	2	4	1	Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)cn1
365621003	ZINC000625026577	low	7.21	-41.88	1	317.433	2.22	3	2	6	C[C@@H]1C[N@@H+](CCNC(=O)c2cc(C3CC3)[nH]c2C2CC2)CCO1
365621012	ZINC000625027309	ref	6.2	-13.35	0	315.41	2.197	0	3	6	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@H]1C
365621020	ZINC000625024617	ref	6.85	-10.27	0	315.385	2.425	0	2	4	CC1(C)[C@H]2CN(S(=O)(=O)CCc3c(F)cccc3F)C[C@H]21
365621025	ZINC000625023836	ref	5.92	-12.35	0	321.446	2.255	1	4	5	Cc1cc(C)cc(C[C@@H](C)NS(=O)(=O)c2cnc(C)n2C)c1
197595934	ZINC000290100740	ref	2.56	-5.35	0	285.334	2.357	1	3	6	COCCC1(C)CN(C[C@H](O)c2cc(F)ccc2F)C1
282120006	ZINC000248950950	ref	2.94	-13.86	0	314.385	1.86	2	4	4	C[C@H]1CN(CC(=O)Nc2cccc3ccccc23)C[C@@H](CO)O1
282123562	ZINC000533474801	ref	3.54	-13.4	0	265.357	1.143	1	4	3	C[C@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)c1cnn(C)c1
210256497	ZINC000272863363	ref	3.35	-13.43	0	322.405	1.436	2	4	10	CCCCN(CCCO)C(=O)CNC(=O)c1cccc(OC)c1
365620984	ZINC000336541640	ref	7.03	-12.5	0	261.312	2.448	0	2	2	CC1(C)CC[C@H](C(=O)N2CCC(C(F)F)CC2)O1
365620992	ZINC000336541564	ref	7.53	-10.56	0	259.305	2.098	0	3	2	COC(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@H]32)c1
365620998	ZINC000336541256	ref	5.99	-18.88	0	283.393	2.134	0	3	2	CCc1oc(C(=O)N2CC[C@@H](C)[S@](=O)CC2)cc1C
365621006	ZINC000336541044	ref	4.44	-9.4	0	268.307	2.238	1	2	3	CNC(=O)CN1CCCC[C@H]1c1ccc(F)cc1F
398245995	ZINC000649444071	ref	7.94	-5.08	0	241.334	4.115	1	2	5	CCCCOc1ccccc1-c1ccc(N)cc1
282120009	ZINC000533442267	ref	6.29	-50.17	1	295.427	1.091	2	2	5	CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)C1
282120013	ZINC000533442267	mid	6.21	-49.88	1	295.427	1.091	2	2	5	CCC(=O)N1CC[C@H](C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C1
282120017	ZINC000533443282	ref	6.51	-15.86	0	266.385	1.94	1	2	4	CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@H]2CC)C1
342081927	ZINC000625327538	ref	2.0	-33.08	1	278.356	1.471	2	5	5	NC(=O)[C@@H]1CCCC[C@H]1NCc1noc(C2CCC2)n1
365621013	ZINC000336541044	low	6.56	-35.52	1	268.307	2.238	2	1	3	CNC(=O)C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1F
342081928	ZINC000625327538	low	2.0	-33.08	1	278.356	1.471	2	4	5	NC(=O)[C@@H]1CCCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1
349535564	ZINC000093299988	ref	1.4	-8.33	0	292.335	0.863	2	4	2	COc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)c1
349535566	ZINC000093293298	ref	5.81	-49.0	1	295.408	0.571	1	3	3	CN(CCc1cccs1)C(=O)C(=O)N1CCC[NH2+]CC1
365621021	ZINC000336541044	low	6.06	-36.06	1	268.307	2.238	2	1	3	CNC(=O)C[N@H+]1CCCC[C@H]1c1ccc(F)cc1F
342081929	ZINC000625329222	ref	3.55	-8.11	0	271.411	1.636	0	6	2	c1nnsc1CN1CCSC2(CCOCC2)C1
342081930	ZINC000625329222	mid	5.14	-50.09	1	271.411	1.636	1	5	2	c1nnsc1C[N@@H+]1CCSC2(CCOCC2)C1
342081931	ZINC000625329222	mid	5.22	-50.27	1	271.411	1.636	1	5	2	c1nnsc1C[N@H+]1CCSC2(CCOCC2)C1
342081932	ZINC000625327813	ref	5.37	-10.26	0	264.325	1.878	1	3	3	CCN(C)C(=O)NC[C@]1(C)COc2ccccc2O1
365621027	ZINC000336540985	ref	4.88	-16.66	0	271.426	2.326	0	2	1	C[C@@H]1CCN(C(=O)C2(C)CCCCC2)CC[S@]1=O
190491862	ZINC000269401845	ref	4.55	-10.37	0	265.313	1.618	2	4	3	Cc1conc1NC(=O)C(=O)NCC1CCCCC1
342081933	ZINC000625329157	ref	4.68	-16.09	0	284.306	1.663	1	3	6	O=C(COCC(F)F)N[C@@H]1CCN(c2ccccc2)C1
398245998	ZINC000649443979	ref	8.1	-41.41	1	232.352	2.914	1	2	4	C[NH+](C)CCc1ccc(-c2nccs2)cc1
214189245	ZINC000053558927	ref	9.54	-19.69	0	331.331	3.093	0	6	4	N#Cc1cccc(OCCn2cnc3c(oc4ccccc43)c2=O)c1
342081934	ZINC000625329436	ref	2.92	-13.63	0	272.395	1.751	1	4	4	O=S(=O)(NCc1ccns1)[C@@H]1C[C@@H]2CC[C@H]1C2
342081935	ZINC000625329195	ref	7.82	-34.7	1	265.405	1.682	1	4	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)c1nncn1C
365620994	ZINC000617369605	ref	-0.13	-53.38	-1	283.328	0.595	2	5	5	COC[C@H](NC(=O)c1[nH]nc(C)c1[O-])C1CCOCC1
365621004	ZINC000617367894	ref	-0.58	-16.82	0	296.323	0.55	2	5	6	COC[C@H](NC(=O)c1coc(C(N)=O)c1)C1CCOCC1
342081936	ZINC000625329195	mid	6.73	-42.37	1	265.405	1.682	1	4	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)c1nncn1C
342081937	ZINC000625327827	ref	7.35	-43.54	1	299.422	1.958	1	4	5	CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCc1cn(C)nn1
136228514	ZINC000230377441	mid	5.68	-38.8	1	238.335	0.86	2	4	2	Cc1nnc(C[N@@H+]2CCC[C@@](C)(O)CC2)n1C
342081938	ZINC000625327827	mid	5.09	-10.0	0	299.422	1.958	1	4	5	CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCc1cn(C)nn1
185089744	ZINC000096075974	ref	7.45	-40.2	1	275.352	1.683	1	3	3	Cc1cc(C(=O)N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)no1
365621014	ZINC000617367569	ref	2.59	-8.57	0	265.313	0.648	1	5	5	COC[C@@H](NC(=O)c1cncnc1)C1CCOCC1
365621023	ZINC000617370956	ref	1.88	-13.03	0	275.345	0.207	1	5	9	COCCOCC(=O)N[C@@H](COC)C1CCOCC1
342081939	ZINC000625327827	high	5.09	-10.0	0	299.422	1.958	0	5	5	CC[C@H]1CN(c2ccccc2)CCN1CCc1cn(C)nn1
365621035	ZINC000617368321	ref	2.61	-14.5	0	255.314	0.523	1	4	5	COC[C@@H](NC(=O)C1CC(=O)C1)C1CCOCC1
342081940	ZINC000625329019	ref	4.14	-36.3	1	267.417	1.319	2	2	7	CCN1CCC[C@@H]1C[N@H+](CC)CC[C@H]1CCNC1=O
185089745	ZINC000096075974	mid	7.53	-39.14	1	275.352	1.683	1	3	3	Cc1cc(C(=O)N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)no1
365621046	ZINC000617367477	ref	3.11	-6.95	0	283.368	0.969	1	4	5	COC[C@H](NC(=O)[C@@H]1[C@@H]2CCCO[C@@H]21)C1CCOCC1
365621058	ZINC000617368515	ref	2.26	-7.73	0	273.373	0.951	2	4	7	CC[C@H](C)[C@H](O)C(=O)N[C@@H](COC)C1CCOCC1
365621071	ZINC000617367935	ref	2.9	-11.11	0	257.33	0.723	1	4	5	COC[C@H](NC(=O)[C@@H]1CCCO1)C1CCOCC1
185089747	ZINC000096075974	high	4.42	-7.16	0	275.352	1.683	0	4	3	Cc1cc(C(=O)N2CC[C@@]3(CCN3CC3CC3)C2)no1
342081941	ZINC000625329019	mid	3.84	-36.5	1	267.417	1.319	2	2	7	CCN1CCC[C@@H]1C[N@@H+](CC)CC[C@H]1CCNC1=O
365621077	ZINC000617370873	ref	2.36	-8.69	0	271.357	0.971	1	4	6	COC[C@H](NC(=O)C[C@@H]1CCOC1)C1CCOCC1
349535569	ZINC000093293298	high	4.71	-6.19	0	295.408	0.571	1	4	3	CN(CCc1cccs1)C(=O)C(=O)N1CCCNCC1
349535573	ZINC000093294984	ref	-3.21	-15.35	0	281.293	0.883	2	5	3	Cc1ncoc1C(=O)Nc1cccc(S(N)(=O)=O)c1
197595924	ZINC000162848440	ref	5.31	-43.47	1	306.406	2.024	2	3	8	CCCC[C@H](C[NH3+])NC(=O)CCc1ccc2c(c1)OCCO2
365621029	ZINC000354678212	ref	3.03	-16.18	0	293.396	1.788	2	5	5	Cc1csc([C@@H](C)NC(=O)NCCc2ccn(C)n2)n1
365621037	ZINC000354677583	ref	5.78	-41.19	1	272.389	1.468	2	3	9	CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)C(=O)OCC
349535575	ZINC000093300311	ref	1.52	-8.0	0	292.335	0.863	2	4	2	COc1ccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1
365621047	ZINC000354678509	ref	3.34	-13.94	0	275.414	1.465	1	3	7	CC(C)C[C@H](C)OCCC(=O)N[C@@H]1CC[S@](=O)C1
398245997	ZINC000650859149	ref	0.76	-11.35	0	270.373	1.406	3	3	4	C[C@@H]1CC[C@@H](NC(=O)NCC[C@@]2(O)CCOC2)CC1
365621065	ZINC000354678512	ref	3.35	-20.58	0	275.414	1.465	1	3	7	CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[S@](=O)C1
212169384	ZINC000335491475	mid	4.02	-45.81	-1	255.314	2.155	1	3	2	C[C@H]1C[C@@H](NC(=O)c2c([O-])cccc2F)CS1
398246000	ZINC000650858649	ref	6.37	-45.77	1	275.343	1.769	2	1	2	C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCC(F)(F)C2)C1
365621076	ZINC000354678126	ref	3.02	-14.68	0	268.361	1.077	2	4	8	CC(C)OCCCNC(=O)NCCc1ccn(C)n1
398246002	ZINC000650858649	mid	6.81	-45.22	1	275.343	1.769	2	1	2	C[N@H+]1CCC[C@@H](CNC(=O)N2CCCC(F)(F)C2)C1
342081942	ZINC000625329019	mid	5.34	-33.75	1	267.417	1.319	2	2	7	CCN(CC[C@H]1CCNC1=O)C[C@H]1CCC[N@@H+]1CC
282123563	ZINC000533474803	ref	3.54	-15.01	0	265.357	1.143	1	4	3	C[C@H](C(=O)N1CCC[C@H]([C@@H](C)O)C1)c1cnn(C)c1
349535579	ZINC000093299989	ref	1.63	-7.81	0	292.335	0.863	2	4	2	COc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)c1
342081943	ZINC000625329019	mid	4.14	-34.68	1	267.417	1.319	2	2	7	CCN(CC[C@H]1CCNC1=O)C[C@H]1CCC[N@H+]1CC
349535581	ZINC000093300171	ref	2.59	-8.27	0	294.355	0.632	2	5	2	CC(C)n1nccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](O)C1
398246004	ZINC000650858649	high	4.43	-10.79	0	275.343	1.769	1	2	2	CN1CCC[C@@H](CNC(=O)N2CCCC(F)(F)C2)C1
192038068	ZINC000418429706	ref	1.88	-36.77	1	213.325	1.233	3	1	6	C=C[C@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C
212169389	ZINC000335491653	ref	-0.42	-7.89	0	254.311	0.635	3	4	2	Cc1cscc1NC(=O)C(=O)N[C@@H]1CC[C@H]1O
212169394	ZINC000335490837	ref	5.46	-9.29	0	295.342	2.15	2	3	2	Cc1cc(NC(=O)C(=O)N[C@@H]2CC23CC3)c2ncccc2c1
342081944	ZINC000625329198	ref	8.31	-33.96	1	265.405	1.682	1	4	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)c1nncn1C
365621034	ZINC000336541476	ref	6.58	-9.92	0	275.352	2.038	1	3	2	CC[C@@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)n1
214189249	ZINC000053581697	ref	6.52	-17.38	0	325.376	1.541	1	7	6	CCN(CC)C(=O)[C@H](Nc1ccc2nnnn2n1)c1ccccc1
185089749	ZINC000096076142	ref	7.9	-38.29	1	275.4	1.083	1	4	5	C[NH+](C)CCCN1CC[C@@]2(CCN2c2ncccn2)C1
185089751	ZINC000096076142	mid	10.45	-101.42	2	275.4	1.083	2	3	5	C[NH+](C)CCC[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1
365621043	ZINC000336541758	ref	3.8	-45.08	-1	283.69	2.146	2	3	3	Cc1n[nH]cc1CNC(=O)c1cc(F)cc(Cl)c1[O-]
214189253	ZINC000053559530	ref	7.94	-16.08	0	338.864	3.007	1	4	6	CN(Cc1cnn(C)c1)C(=O)NCCSc1ccc(Cl)cc1
282120014	ZINC000248952010	ref	1.25	-12.54	0	322.405	1.495	2	5	7	CCOc1ccc(NC(=O)CCN2C[C@@H](C)O[C@@H](CO)C2)cc1
214189256	ZINC000053578591	ref	8.57	-14.18	0	328.437	3.814	2	3	3	Cc1ccccc1[C@H](C)NC(=S)Nc1ccc2c(c1)OCCO2
214189260	ZINC000053570119	ref	4.49	-10.91	0	333.413	2.391	2	5	6	CCc1nc(NC(=O)CNC(=O)c2ccc(OC)cc2)sc1C
214189264	ZINC000053580008	ref	2.72	-10.23	0	336.848	2.366	2	5	5	NC(=O)c1cnc(NCCN2CCc3sccc3C2)c(Cl)c1
185089753	ZINC000096076142	mid	10.19	-100.81	2	275.4	1.083	2	3	5	C[NH+](C)CCC[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1
342597653	ZINC000590799735	low	8.42	-42.36	1	288.355	1.794	1	4	2	Cc1cc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)n(C)n1
185089754	ZINC000096076142	mid	7.97	-38.62	1	275.4	1.083	1	4	5	CN(C)CCC[N@@H+]1CC[C@@]2(CCN2c2ncccn2)C1
342597654	ZINC000590798879	ref	4.44	-19.29	0	292.335	1.769	2	4	2	COC(=O)c1ccc(C)c(NC(=O)N2CC[C@@H](O)[C@H]2C)c1
214189267	ZINC000053580008	low	5.24	-50.71	1	336.848	2.366	3	4	5	NC(=O)c1cnc(NCC[N@@H+]2CCc3sccc3C2)c(Cl)c1
214189270	ZINC000053580008	low	5.24	-50.68	1	336.848	2.366	3	4	5	NC(=O)c1cnc(NCC[N@H+]2CCc3sccc3C2)c(Cl)c1
214189273	ZINC000053557974	ref	1.47	-12.28	0	344.209	1.564	3	3	5	CNC(=O)CNC(=O)N[C@@H](C)c1ccc(OC)c(Br)c1
185089756	ZINC000096076142	mid	7.71	-37.17	1	275.4	1.083	1	4	5	CN(C)CCC[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1
342597655	ZINC000590798518	ref	5.12	-43.09	1	295.427	1.417	3	2	3	O=C(NCC1CCCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
214189276	ZINC000053566131	ref	8.22	-43.34	1	326.259	4.068	1	2	6	C[C@@H](C[NH2+]Cc1cccs1)Oc1ccc(Br)cc1
259308668	ZINC000517230831	high	1.36	-7.21	0	222.292	0.687	3	4	5	OC1(CNCc2n[nH]c(C3CC3)n2)CCC1
365621036	ZINC000625026152	ref	4.08	-19.42	0	323.805	2.3	1	4	2	CNC(=O)[C@H]1CCCN1C(=O)c1sc2ncccc2c1Cl
178291067	ZINC000236972420	ref	5.45	-53.78	1	363.155	1.539	2	3	6	CC[NH2+]CCNC(=O)c1ccc([N+](=O)[O-])cc1I
214189255	ZINC000278493049	ref	6.86	-37.82	1	310.785	1.228	2	3	2	CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1
214189257	ZINC000278493049	mid	6.96	-37.92	1	310.785	1.228	2	3	2	CC[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1
365621042	ZINC000625026570	ref	2.03	-11.29	0	321.389	2.35	2	3	8	CCC[C@@H](CCO)CNS(=O)(=O)c1ccc(C)c(F)c1F
365621051	ZINC000625026570	high	2.1	-46.67	-1	321.389	2.35	1	3	8	CCC[C@@H](CCO)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F
365621055	ZINC000625027288	ref	5.04	-11.14	0	318.377	2.35	1	6	8	CC(C)COC[C@H](NC(=O)c1cn(C2CC2)nn1)c1ccco1
178291069	ZINC000236981238	ref	8.38	-40.19	1	356.47	1.686	1	4	8	CCOC[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1
214189258	ZINC000278493049	mid	4.79	-7.4	0	310.785	1.228	1	4	2	CCN1CCCN(C(=O)C(=O)Nc2ccc(Cl)cn2)CC1
365621063	ZINC000625025648	ref	8.0	-19.7	0	319.449	2.361	1	2	3	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1CCC(C2CCC2)CC1
398245999	ZINC000390775394	ref	2.12	-97.53	2	211.309	-0.003	3	1	4	O=C(CC[C@H]1CCC[NH2+]1)N[C@@H]1CC[NH2+]C1
365621069	ZINC000625025141	ref	8.93	-16.71	0	313.401	2.346	1	4	8	CCO[C@@H](C(=O)NCCc1ccn(-c2ccccc2)n1)C1CC1
178291071	ZINC000236981238	mid	8.05	-10.94	0	356.47	1.686	1	5	8	CCOC[C@H]1CCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1
365621078	ZINC000625023666	ref	10.12	-25.11	0	324.388	2.011	0	6	4	CCn1c([C@H]2CCCN2C(=O)Cn2cncn2)nc2ccccc21
178291073	ZINC000236981238	low	8.93	-113.5	2	356.47	1.686	1	3	8	CCOC[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1
290622956	ZINC000492524968	ref	4.59	-10.89	0	260.337	2.089	1	3	4	Cc1ccncc1/C=C\C(=O)NC[C@]1(C)CCCO1
214189261	ZINC000278492608	ref	5.74	-9.45	0	308.389	1.685	0	6	3	Cn1ncc2c(N3CCN(Cc4cccnc4)CC3)ccnc21
136228515	ZINC000230377441	mid	5.48	-41.63	1	238.335	0.86	2	4	2	Cc1nnc(C[N@H+]2CCC[C@@](C)(O)CC2)n1C
210256501	ZINC000272863042	ref	0.09	-8.45	0	313.707	1.285	1	5	3	Cn1nc(C(F)(F)F)c(CN2CCO[C@H](CO)C2)c1Cl
365621084	ZINC000625025500	ref	6.15	-44.56	1	304.381	2.039	1	3	5	C[C@@H]1CN(CCNC(=O)CC2CCC(F)(F)CC2)CCO1
136228516	ZINC000282802687	ref	3.47	-10.9	0	249.335	1.272	2	3	3	Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC#CCO
214189263	ZINC000278492608	mid	7.96	-51.95	1	308.389	1.685	1	5	3	Cn1ncc2c(N3CC[NH+](Cc4cccnc4)CC3)ccnc21
342081945	ZINC000625329198	mid	7.29	-32.41	1	265.405	1.682	1	4	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)c1nncn1C
214189269	ZINC000278493994	ref	4.11	-12.07	0	315.373	2.563	1	5	3	Cc1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCOC[C@H]3C)c12
349535570	ZINC000618814565	ref	5.89	-19.86	0	262.357	1.91	0	4	3	CC1=CC[C@@](C)(C(=O)N(C)Cc2cn(C)nn2)CC1
343994299	ZINC000073766048	ref	6.75	-13.42	0	248.326	2.397	0	3	2	C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1ccon1
398246001	ZINC000649444083	ref	7.69	-5.06	0	241.334	3.874	1	1	1	C=C(C)c1ccc2c(c1)C1(CCCCC1)C(=O)N2
343994312	ZINC000625559354	ref	0.75	-11.66	0	219.306	0.518	1	3	5	C/C=C\CNS(=O)(=O)C[C@H]1CCOC1
349535571	ZINC000618814745	ref	7.17	-18.8	0	272.352	1.967	0	4	5	C[C@@H](CC(=O)N(C)Cc1cn(C)nn1)c1ccccc1
349535574	ZINC000618816063	ref	6.58	-23.32	0	288.351	1.551	0	5	6	CCO[C@H](C(=O)N(C)Cc1cn(C)nn1)c1ccccc1
349535576	ZINC000618815150	ref	8.42	-11.71	0	298.39	1.895	0	4	4	CN(Cc1cn(C)nn1)C(=O)Cc1ccc2c(c1)CCCC2
214189272	ZINC000278492919	ref	8.52	-8.66	0	304.419	2.939	0	6	5	CCOC1CC(Sc2nnnn2-c2cccc(C)c2C)C1
282120018	ZINC000291988144	ref	4.41	-14.39	0	316.379	2.078	1	5	8	CCC(CC)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])OC
282120028	ZINC000291988144	high	4.17	-53.92	-1	316.379	2.078	0	5	8	CCC(CC)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])OC
197595944	ZINC000162837670	ref	5.08	-21.17	0	313.444	1.809	0	4	4	CN(C(=O)c1cccc(CS(C)(=O)=O)c1)[C@H]1CCSC1
178291075	ZINC000236984374	ref	4.25	-45.53	1	367.544	1.839	2	6	7	CCN(CC)c1nc2sc(C(=O)NCCN3CC[NH2+]CC3)cc2s1
282120040	ZINC000424374921	ref	4.03	-53.71	-1	303.38	2.066	1	5	7	CCC(CC)(CNS(=O)(=O)c1cc(C)oc1C)C(=O)[O-]
342081946	ZINC000625327817	ref	2.06	-11.63	0	257.359	1.301	1	4	6	C=CC(C)(C)CCNS(=O)(=O)c1cnn(C)c1
342081947	ZINC000625329025	ref	4.48	-30.51	1	278.4	1.791	1	4	7	CCN(Cc1ccc(OC)nn1)C[C@H]1CCC[N@@H+]1CC
342081948	ZINC000625329025	mid	3.25	-37.5	1	278.4	1.791	1	4	7	CCN(Cc1ccc(OC)nn1)C[C@H]1CCC[N@H+]1CC
342081949	ZINC000625328853	ref	1.96	-12.24	0	285.291	1.316	1	4	6	CCCS(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F
342081950	ZINC000625328888	ref	-1.63	-7.89	0	265.338	1.37	2	6	6	COc1cncc(CN[C@@H](CO)c2ccsc2)n1
342081951	ZINC000625328888	low	-0.52	-43.66	1	265.338	1.37	2	5	6	COc1cncc(C[NH2+][C@@H](CO)c2ccsc2)n1
282120019	ZINC000248952010	mid	3.09	-52.2	1	322.405	1.495	3	4	7	CCOc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1
178291077	ZINC000236978456	ref	4.93	-52.51	1	365.499	1.68	1	3	7	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH3+])cc1
178291080	ZINC000236971321	ref	3.86	-65.78	1	353.488	1.493	2	3	8	CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]([NH3+])C2CC2)ccc1C
365621038	ZINC000274313542	mid	0.76	-4.69	0	267.348	1.109	1	4	5	CC[C@H](O)CN1CCN(Cc2cncc(F)c2)CC1
365621045	ZINC000336728923	ref	5.36	-31.67	1	250.733	1.853	1	3	4	Cc1[nH+]ccc(NCCc2ccn(C)n2)c1Cl
214189275	ZINC000278492968	ref	5.14	-9.43	0	323.368	1.867	2	4	4	CC(C)O[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1(C)C
398246003	ZINC000449203604	ref	3.03	-37.41	1	241.375	1.942	2	2	4	C[C@@H]1CCCC[C@@H]1[C@@H](C)[NH2+]C[C@]1(O)CCOC1
136228517	ZINC000283632326	ref	8.04	-13.56	0	232.291	0.838	0	6	4	C=CCN(C)c1nnc(-c2cnn(C)c2)n1C
365621061	ZINC000336728923	mid	4.93	-8.1	0	250.733	1.853	1	4	4	Cc1nccc(NCCc2ccn(C)n2)c1Cl
282120021	ZINC000248952010	mid	3.52	-49.51	1	322.405	1.495	3	4	7	CCOc1ccc(NC(=O)CC[N@H+]2C[C@@H](C)O[C@@H](CO)C2)cc1
136228518	ZINC000230480377	ref	1.3	-7.61	0	213.668	1.091	1	4	1	C[C@]1(O)CCN(c2cncc(Cl)n2)C1
136228519	ZINC000282816628	ref	3.52	-10.49	0	248.33	1.673	2	3	3	C=C(C)CNC(=O)N[C@@H]1CCCc2nn(C)cc21
178291082	ZINC000236972327	ref	3.7	-59.09	1	373.906	1.852	2	3	6	CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CCC[NH2+]C2)ccc1Cl
178291085	ZINC000236978704	ref	8.52	-85.72	2	353.466	1.958	3	2	7	C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1
178291088	ZINC000236978704	mid	7.13	-42.12	1	353.466	1.958	3	3	7	C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c1
178291091	ZINC000236978704	high	4.6	-8.85	0	353.466	1.958	2	4	7	CN(C)CCOc1cccc(CNC(=O)[C@H]2Cc3ccccc3CN2)c1
178291094	ZINC000236984159	ref	5.15	-51.9	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1
178291097	ZINC000236984159	high	3.88	-12.08	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1
282120026	ZINC000248948346	ref	7.17	-36.59	1	308.397	1.877	2	2	6	CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO
349535572	ZINC000258976570	ref	5.81	-8.22	0	204.248	2.219	1	2	4	N#CC1(CNCc2ccc(F)cc2)CC1
259308670	ZINC000517230831	high	2.67	-35.71	0	222.292	0.687	2	3	5	OC1(C[NH2+]Cc2nnc(C3CC3)[n-]2)CCC1
197595936	ZINC000290100740	mid	5.63	-38.48	1	285.334	2.357	2	2	6	COCCC1(C)C[NH+](C[C@H](O)c2cc(F)ccc2F)C1
342597656	ZINC000590798518	mid	2.97	-9.1	0	295.427	1.417	2	3	3	O=C(NCC1CCCC1)N1CCN([C@@H]2CCC[C@H]2O)CC1
342597657	ZINC000590812784	ref	5.5	-45.28	1	284.4	1.171	1	3	6	CC(C)[NH2+][C@H]1CCCN(C(=O)COC[C@H]2CCCO2)C1
398246005	ZINC000649444012	ref	5.44	-8.75	0	230.267	2.433	0	4	1	Cc1cc2c(cc1-c1cnn(C)c1C)OCO2
214189277	ZINC000278493234	ref	3.01	-47.74	1	309.406	2.113	2	4	8	COc1cc(C[NH2+][C@]2(CCO)CCOC2)ccc1OC(C)C
214189279	ZINC000278493234	high	2.13	-8.4	0	309.406	2.113	2	5	8	COc1cc(CN[C@]2(CCO)CCOC2)ccc1OC(C)C
214189282	ZINC000278491885	ref	5.05	-12.5	0	306.322	1.813	3	6	6	CCOC1CC(O)(CNc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1
214189286	ZINC000278492876	ref	6.06	-15.0	0	301.35	1.814	1	6	5	COCC(=O)Nc1c(C)cccc1-c1nnnn1[C@@H]1C[C@H]1C
342600578	ZINC000401680491	mid	4.62	-37.19	1	273.373	1.192	2	4	7	CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@](CO)(OC)C1
214189289	ZINC000278492251	ref	8.48	-17.68	0	318.417	3.042	1	3	5	CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C)cc(OC)c1C
342600579	ZINC000401680491	mid	4.83	-32.65	1	273.373	1.192	2	4	7	CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@](CO)(OC)C1
214189290	ZINC000278492464	ref	7.35	-13.96	0	316.323	3.269	0	3	3	C[C@H]1CCC[C@@H](C)N1C(=O)COc1ccnc(C(F)(F)F)c1
214189293	ZINC000278493578	ref	5.99	-13.86	0	314.349	1.296	2	8	4	COc1ccc(CN(C)c2nc(N)c3cnn(C)c3n2)cc1O
342600580	ZINC000617000208	ref	5.46	-41.27	1	262.357	1.327	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cncnc2)C1
282120022	ZINC000449148955	mid	7.71	-90.78	2	295.471	2.096	2	1	4	CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H](CC(C)(C)C)[NH2+]C
214189296	ZINC000278493578	low	6.34	-38.49	1	314.349	1.296	2	7	4	COc1ccc(CN(C)c2nc3c(cnn3C)c(N)[nH+]2)cc1O
197595943	ZINC000290100536	ref	4.36	-10.57	0	277.364	2.04	2	3	4	C[C@H](NC(=O)[C@@H]1CCO[C@H](C)C1)[C@@H](O)c1ccccc1
282120025	ZINC000449148955	high	5.76	-38.48	1	295.471	2.096	1	2	4	CC[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@H](CC(C)(C)C)[NH2+]C
398246008	ZINC000649443819	ref	5.74	-50.1	1	240.306	2.62	1	2	2	COc1cccc2cc(C3=CC[NH2+]CC3)cnc12
398246012	ZINC000649444130	ref	7.67	-9.83	0	240.306	2.915	0	3	1	Cc1c(-c2cccc3c2CCCC3=O)cnn1C
197595946	ZINC000290101832	ref	3.22	-11.09	0	296.783	2.946	2	4	5	O=C(NCCCc1nccs1)Nc1ccnc(Cl)c1
342600581	ZINC000617000208	mid	5.52	-41.59	1	262.357	1.327	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cncnc2)C1
185089758	ZINC000096078043	ref	6.02	-44.75	1	264.756	2.308	1	1	1	O=C(c1ccc(Cl)cc1)N1CC2(CCCC[NH2+]2)C1
185089761	ZINC000096078043	high	4.61	-9.97	0	264.756	2.308	1	2	1	O=C(c1ccc(Cl)cc1)N1CC2(CCCCN2)C1
282120023	ZINC000533444431	ref	5.3	-53.96	-1	289.364	1.896	0	4	3	CN(Cc1nccs1)C(=O)N=c1ccc(C2CC2)n[n-]1
306234494	ZINC000557842099	mid	0.75	-22.24	0	347.792	1.33	1	4	5	C[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)S(C)(=O)=O
282120027	ZINC000533444431	low	4.4	-18.58	0	289.364	1.896	1	4	3	CN(Cc1nccs1)C(=O)N=c1ccc(C2CC2)n[nH]1
365621041	ZINC000641589719	ref	2.97	-11.46	0	272.226	1.307	1	3	1	O=C(c1cc(C(F)(F)F)ccn1)N1C[C@H]2C[C@@]2(O)C1
282120033	ZINC000533440908	ref	5.41	-11.3	0	278.4	1.734	0	4	5	CCn1cc(CN(C)[C@@H]2CCCN(C(C)C)C2=O)cn1
365621052	ZINC000641589634	ref	4.83	-7.95	0	261.354	1.3	2	6	5	Nc1nc(CCNc2cc(C3CC3)ncn2)cs1
342597658	ZINC000590813097	ref	5.86	-44.56	1	265.357	1.894	1	3	3	Cc1noc(C)c1C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
365621059	ZINC000641589668	ref	5.5	-19.24	0	295.346	1.9	2	5	5	Cc1cccc(CCCNc2ccc3nc[nH]c(=O)c3n2)n1
365621064	ZINC000641589668	low	5.81	-44.35	1	295.346	1.9	2	4	5	Cc1cccc(CCCNc2ccc3nc[nH]c(=O)c3n2)[nH+]1
365621070	ZINC000641589312	ref	6.13	-12.15	0	289.762	1.819	1	2	1	O=C([C@H]1[C@H]2c3cccc(Cl)c3C[C@H]21)N1C[C@@H]2C[C@]2(O)C1
365621075	ZINC000641589667	ref	5.02	-14.91	0	288.347	1.596	0	5	1	O=C1CCc2ccc(N3CCO[C@]4(CCCOC4)C3)nc21
365621081	ZINC000479699989	ref	3.53	-9.24	0	298.77	1.668	2	3	6	CO[C@H](c1ccccc1Cl)[C@@H](C)NC(=O)CNC(C)=O
365621087	ZINC000641589554	ref	3.28	-17.47	0	299.33	1.284	2	4	2	O=C(c1ccc2[nH]c(=O)n(C3CC3)c2c1)N1C[C@H]2C[C@@]2(O)C1
342597659	ZINC000616984428	ref	9.47	-9.35	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1ccc(-n2cncn2)nc1
290622964	ZINC000492524530	ref	3.54	-12.41	0	271.32	2.016	2	4	4	C[C@H](NC(=O)/C=C/c1ccc(O)cc1)c1cnn(C)c1
197595954	ZINC000162840064	ref	7.75	-10.12	0	300.402	2.87	2	2	4	O=C(NCC1(C2CC2)CCC1)N[C@H]1COc2ccccc2C1
342597660	ZINC000590813049	ref	6.14	-46.52	1	278.4	1.489	1	3	4	Cc1cc(C)n(CC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n1
342597661	ZINC000590800549	ref	4.78	-9.27	0	269.301	1.478	1	5	6	CC[C@](C)(CNC(=O)c1cc([N+](=O)[O-])cn1C)OC
342597662	ZINC000590801465	ref	5.6	-47.82	1	280.328	1.344	3	3	6	C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)[NH+](C)C
342597663	ZINC000590801465	high	3.27	-11.57	0	280.328	1.344	2	4	6	C[C@@H](CNC(=O)NCc1cccc([N+](=O)[O-])c1)N(C)C
365621044	ZINC000576529536	low	3.68	-32.98	1	224.239	1.131	1	4	2	COc1c(N)nc[nH+]c1N1CCC=C(F)C1
365621049	ZINC000576529496	ref	1.04	-13.2	0	242.319	0.13	2	3	4	CC(C)N1C[C@H](NC(=O)C(C)(C)CO)CC1=O
365621054	ZINC000576529347	ref	8.31	-7.27	0	244.363	3.2	1	2	3	c1ccc2c(c1)CC[C@H](SCc1cc[nH]n1)C2
342081952	ZINC000625329098	ref	5.27	-29.91	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@H](C)C1)C[C@H]1CCC[N@@H+]1CC
342081953	ZINC000625329098	mid	4.06	-33.25	1	283.46	1.513	1	3	7	CCN(CCN1CCO[C@H](C)C1)C[C@H]1CCC[N@H+]1CC
343994300	ZINC000599271886	high	7.03	-11.76	0	281.363	1.894	0	5	6	Cn1cc(CCN(Cc2ccc(C#N)cc2)C2CC2)nn1
365638733	ZINC000617439910	ref	5.51	-42.17	1	251.334	0.74	2	4	4	CC[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)[NH+](C)C
365638736	ZINC000617439910	high	3.75	-16.27	0	251.334	0.74	1	5	4	CC[C@H](C(=O)N[C@H]1C[C@@H](C)n2ncnc21)N(C)C
342081954	ZINC000625329098	low	7.87	-92.56	2	283.46	1.513	2	2	7	CCN(CC[N@@H+]1CCO[C@H](C)C1)C[C@H]1CCC[NH+]1CC
365638738	ZINC000617441645	ref	4.15	-17.37	0	287.327	0.57	1	7	3	C[C@@H]1C[C@@H](NC(=O)c2cnc(N(C)C)cn2)c2ncnn21
365638742	ZINC000617441665	ref	4.33	-17.47	0	287.327	0.533	2	7	2	Cc1nc(N)nc(C)c1C(=O)N[C@H]1C[C@H](C)n2ncnc21
342081955	ZINC000625329098	low	7.84	-91.68	2	283.46	1.513	2	2	7	CCN(CC[N@H+]1CCO[C@H](C)C1)C[C@H]1CCC[NH+]1CC
343994303	ZINC000599272844	ref	2.62	-7.36	0	279.34	1.263	0	6	3	COC(=O)c1cnc(CN2C[C@H](C)OC(C)(C)C2)cn1
365638745	ZINC000617440198	ref	5.22	-20.37	0	297.322	0.996	1	7	2	C[C@@H]1C[C@@H](NC(=O)c2cnc3c(cnn3C)c2)c2ncnn21
342081956	ZINC000625329098	low	7.72	-92.83	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@H](C)C1)C[C@H]1CCC[N@@H+]1CC
365638750	ZINC000617440932	ref	4.02	-14.04	0	250.302	0.969	1	5	2	C[C@@H]1C[C@@H](NC(=O)[C@@]2(C)CCCO2)c2ncnn21
342081957	ZINC000625329098	low	6.5	-87.76	2	283.46	1.513	2	2	7	CCN(CC[NH+]1CCO[C@H](C)C1)C[C@H]1CCC[N@H+]1CC
365638753	ZINC000617440069	ref	4.24	-22.43	0	293.356	0.619	2	7	4	Cc1nc(SCC(=O)N[C@H]2C[C@@H](C)n3ncnc32)n[nH]1
342081958	ZINC000625329211	ref	4.86	-35.72	1	284.448	1.5	3	2	8	CCN(CCNC(=O)NC(C)C)C[C@H]1CCC[N@@H+]1CC
342081959	ZINC000625329211	mid	3.65	-40.41	1	284.448	1.5	3	2	8	CCN(CCNC(=O)NC(C)C)C[C@H]1CCC[N@H+]1CC
365638758	ZINC000617440069	mid	4.65	-20.82	0	293.356	0.619	2	7	4	Cc1nnc(SCC(=O)N[C@H]2C[C@@H](C)n3ncnc32)[nH]1
343995005	ZINC000566019426	mid	4.63	-12.37	0	248.301	1.633	1	2	2	CC(=O)N1CC(N[C@H]2CCc3cc(F)ccc32)C1
398246006	ZINC000650439443	ref	5.69	-10.62	0	217.259	2.338	1	1	4	CC(F)(F)CCNC(=O)[C@@H]1CC12CCC2
282120024	ZINC000151577678	ref	4.45	-18.03	0	313.442	2.02	2	3	6	CCCC[C@H](NC(N)=O)C(=O)N1CCC(OC(C)(C)C)CC1
342597664	ZINC000590802566	ref	3.6	-13.5	0	278.308	1.46	2	4	2	COC(=O)c1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1
342597665	ZINC000616984426	ref	9.42	-9.66	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1ccc(-n2cncn2)nc1
282120036	ZINC000151570829	ref	5.27	-37.28	1	301.475	2.296	3	2	9	CC(C)N(C[C@H](C)O)C(=O)NCCC[NH+](C(C)C)C(C)C
398246007	ZINC000285144920	ref	8.54	-36.32	1	219.332	2.096	1	2	7	C=CC[N@@H+](CCc1cnn(CC)c1)C1CC1
398246011	ZINC000285144920	mid	8.52	-35.71	1	219.332	2.096	1	2	7	C=CC[N@H+](CCc1cnn(CC)c1)C1CC1
342597666	ZINC000590812950	ref	2.94	-12.21	0	278.337	1.183	0	6	4	COCc1nc(C(=O)N2CC(n3cccn3)C2)cs1
342597667	ZINC000590800590	ref	4.97	-12.62	0	297.702	1.25	1	6	4	Cn1cc(Cl)c(CNC(=O)c2cc([N+](=O)[O-])cn2C)n1
398246013	ZINC000285144920	high	6.18	-5.24	0	219.332	2.096	0	3	7	C=CCN(CCc1cnn(CC)c1)C1CC1
398246020	ZINC000191995610	ref	4.55	-8.97	0	243.353	1.619	0	3	3	C#CCN(C)S(=O)(=O)c1cc(C)sc1C
214189278	ZINC000293627517	ref	0.34	-9.46	0	374.254	0.899	2	4	5	C[C@](O)(CN1CCN(CC(N)=O)CC1)c1ccc(Br)cc1F
282120045	ZINC000151570541	ref	7.97	-43.74	1	322.453	2.378	2	3	5	Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1
214189280	ZINC000293627517	low	2.14	-39.51	1	374.254	0.899	3	3	5	C[C@](O)(C[NH+]1CCN(CC(N)=O)CC1)c1ccc(Br)cc1F
398246028	ZINC000645407069	ref	4.52	-8.69	0	241.241	1.6	2	4	5	CC#CC[C@@H](CO)Nc1ncc(C(F)F)cn1
365621048	ZINC000336541758	low	2.8	-10.2	0	283.69	2.146	3	3	3	Cc1n[nH]cc1CNC(=O)c1cc(F)cc(Cl)c1O
398246037	ZINC000417635928	ref	4.45	-49.15	1	225.336	1.18	2	1	2	C[C@H](NC(=O)N1CC[NH2+]CC1)C1CCCC1
398246048	ZINC000417635928	mid	3.16	-8.0	0	225.336	1.18	2	2	2	C[C@H](NC(=O)N1CCNCC1)C1CCCC1
398246054	ZINC000191986195	ref	7.07	-9.66	0	222.288	2.411	0	4	5	C=C[C@@](C)(CC)C(=O)Oc1cnn(CC)c1
342597668	ZINC000590801454	ref	4.08	-12.6	0	297.311	1.055	2	5	8	COCC(COC)NC(=O)NCc1cccc([N+](=O)[O-])c1
365621053	ZINC000336541687	ref	9.86	-12.46	0	284.363	2.494	1	4	3	Cc1cc(C(=O)N[C@@H]2CC[C@H](C)C2)ccc1-n1cncn1
398246063	ZINC000645406993	ref	2.99	-7.6	0	208.236	1.407	2	3	4	CC#CC[C@@H](CO)Nc1ccc(F)cn1
342597669	ZINC000590803117	ref	5.28	-14.68	0	289.339	1.763	1	5	3	Cc1cc(CNC(=O)N2CCC[C@@H]2c2cnn(C)c2)no1
398246067	ZINC000095101205	ref	3.84	-11.1	0	231.255	0.898	1	5	3	CN(C)N/C=C1\N=C(c2ccccc2)OC1=O
214189281	ZINC000053562709	ref	6.27	-25.4	0	336.392	2.015	2	5	9	CCN(CC)C(=O)CCCNc1ccc(C(=O)NC)cc1[N+](=O)[O-]
342597670	ZINC000590804280	ref	2.3	-11.59	0	296.415	1.479	2	4	7	CCC(C)(C)OCCNC(=O)NC1CCN(CC#N)CC1
214189285	ZINC000053555934	ref	10.09	-23.32	0	338.31	2.051	0	4	4	O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])CC1
342597671	ZINC000590802285	ref	5.23	-15.79	0	292.383	1.836	1	4	4	Cn1cc([C@@H]2CCCN2C(=O)NCC[C@H]2CCCO2)cn1
214189288	ZINC000053555934	mid	9.05	-15.72	0	338.31	2.051	0	4	4	O=C(c1cc(F)ccc1F)C1CCN(C(=O)[C@@H]2CC2[N+](=O)[O-])CC1
365621056	ZINC000336541477	ref	6.59	-10.02	0	275.352	2.038	1	3	2	CC[C@H]1CCCN1C(=O)C(=O)Nc1cc(C)cc(C)n1
197595963	ZINC000290102787	ref	2.31	-8.66	0	297.742	2.799	1	6	6	COCc1noc(CNc2cc(C)c(OC)cc2Cl)n1
214189292	ZINC000053578588	ref	8.51	-14.35	0	328.437	3.814	2	3	3	Cc1ccccc1[C@@H](C)NC(=S)Nc1ccc2c(c1)OCCO2
214189295	ZINC000053573193	ref	2.57	-17.88	0	340.401	0.897	1	5	6	CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CCS(C)(=O)=O)C1=O
342597672	ZINC000590800252	ref	5.64	-12.58	0	284.425	1.504	1	3	5	CSCCNC(=O)C1CN(C(=O)C2CCCCC2)C1
365621060	ZINC000336541769	ref	6.73	-19.38	0	257.337	2.341	1	3	3	C[C@H]1CC[C@H](NC(=O)Cn2cc3ccccc3n2)C1
214189299	ZINC000053555345	ref	7.0	-30.33	0	346.333	2.388	1	3	3	O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc[nH]c2=O)CC1
342597673	ZINC000590804181	ref	4.37	-11.93	0	292.335	1.769	2	4	2	COC(=O)c1cccc(NC(=O)N2CC[C@@H](O)[C@H]2C)c1C
342597674	ZINC000590802160	ref	3.71	-15.72	0	296.298	1.599	2	4	2	COC(=O)c1ccc(F)c(NC(=O)N2CC[C@@H](O)[C@H]2C)c1
214189302	ZINC000053572042	ref	7.52	-9.8	0	335.408	0.968	2	7	5	C[C@H]1CCCC[C@H]1OCCNc1nc2c(c(=O)[nH]c(=O)n2C)n1C
185089767	ZINC000096076032	ref	2.51	-18.16	0	295.408	1.275	0	5	4	COCC(=O)N1CC[C@]2(CCN2Cc2csc(C)n2)C1
342597675	ZINC000590803118	ref	5.26	-15.48	0	289.339	1.763	1	5	3	Cc1cc(CNC(=O)N2CCC[C@H]2c2cnn(C)c2)no1
185089769	ZINC000096076032	low	5.5	-42.85	1	295.408	1.275	1	4	4	COCC(=O)N1CC[C@]2(CC[N@@H+]2Cc2csc(C)n2)C1
214189306	ZINC000053580595	ref	7.77	-14.76	0	326.378	3.337	0	7	4	O=[N+]([O-])c1cc(F)ccc1Sc1nnc(N2CCCC2)s1
214189309	ZINC000053573437	ref	5.15	-10.05	0	329.734	3.742	1	5	7	CCOc1cc(CNc2cncc(Cl)n2)ccc1OC(F)F
342597676	ZINC000590804243	ref	4.85	-11.08	0	290.411	1.852	2	3	5	N#CCN1CCC(NC(=O)N[C@H](C2CCC2)C2CC2)CC1
398246009	ZINC000650859094	ref	2.31	-8.19	0	254.33	1.032	2	3	6	O=C(NCCOCC1CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2
342081960	ZINC000625329284	ref	6.39	-33.68	1	279.428	1.579	1	2	7	C=CCN1CC[C@@H](N(CC)C[C@@H]2CCC[N@@H+]2CC)C1=O
398246015	ZINC000650858181	ref	0.4	-8.47	0	275.349	1.532	3	4	6	Cc1nc([C@H](C)NC(=O)N[C@@H](CO)CCF)cs1
342081961	ZINC000625329284	mid	7.49	-34.8	1	279.428	1.579	1	2	7	C=CCN1CC[C@@H](N(CC)C[C@@H]2CCC[N@H+]2CC)C1=O
342081962	ZINC000625329284	high	5.98	-6.95	0	279.428	1.579	0	3	7	C=CCN1CC[C@@H](N(CC)C[C@@H]2CCCN2CC)C1=O
342081963	ZINC000625327735	ref	4.04	-8.51	0	260.403	1.765	1	2	8	C=CC(C)(C)CCNS(=O)(=O)N(C)CC1CC1
342088470	ZINC000121405816	low	8.02	-76.68	2	278.4	1.342	2	2	5	CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCc1c[nH+]cn1C
365621057	ZINC000121829720	ref	7.74	-14.35	0	286.441	2.035	1	3	6	CCSCC[C@@H](C)NC(=O)[C@@H]1CCCCN1C(C)=O
365621062	ZINC000121831058	ref	10.34	-19.81	0	289.291	2.404	0	6	5	Cc1cccc([C@H](C)OC(=O)Cn2ccc([N+](=O)[O-])n2)c1
365621066	ZINC000121826939	ref	6.6	-9.12	0	251.374	2.462	1	3	8	CCC(CC)CC(=O)NC[C@H](C)Cn1cccn1
214189283	ZINC000293631228	ref	8.04	-45.84	1	361.49	0.824	2	4	8	C[C@H](CNC(=O)CCC(=O)N1CCN(c2ccccn2)CC1)C[NH+](C)C
365621073	ZINC000121822485	ref	5.83	-9.67	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2CC[C@@H](C)C[C@H]2C)cnn1C
365621083	ZINC000121828783	ref	7.27	-7.82	0	272.348	2.258	1	2	4	Cc1ccc(CCN2C(=O)N[C@@](C)(C3CC3)C2=O)cc1
214189284	ZINC000293631228	low	8.37	-78.75	2	361.49	0.824	2	3	8	C[C@H](CNC(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1)C[NH+](C)C
192038070	ZINC000418464152	ref	5.33	-44.91	1	239.363	1.736	2	1	6	C=C[C@@H]1CCCCN1C(=O)NCC[NH2+]CCC
214189287	ZINC000293620405	ref	-0.66	-18.88	0	356.4	0.037	2	6	8	NC(=O)CNC(=O)c1ccc(OS(=O)(=O)CC[C@H]2CCOC2)cc1
365621090	ZINC000121827583	ref	7.24	-8.32	0	271.364	2.168	0	4	3	Cn1cncc1CN1CCO[C@@](C)(c2ccccc2)C1
299072338	ZINC000076951998	ref	7.58	-11.55	0	325.84	2.389	1	2	5	C[C@H](NC(=O)N(C)[C@@H](C)Cc1ccc(Cl)cc1)C(=O)N(C)C
365621098	ZINC000121827583	low	8.92	-45.26	1	271.364	2.168	1	3	3	Cn1cncc1C[N@@H+]1CCO[C@@](C)(c2ccccc2)C1
365621105	ZINC000121827583	low	9.2	-44.45	1	271.364	2.168	1	3	3	Cn1cncc1C[N@H+]1CCO[C@@](C)(c2ccccc2)C1
365621114	ZINC000121822946	ref	7.77	-41.38	1	296.411	2.399	2	2	5	C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCCS2)cc1F
342088471	ZINC000121405816	high	5.41	-13.83	0	278.4	1.342	1	4	5	CC(C)N1CCCC[C@H]1C(=O)NCCc1cncn1C
178291099	ZINC000236971497	ref	4.23	-67.21	1	353.488	1.493	2	3	8	CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H](C[NH3+])C2CC2)ccc1C
178291101	ZINC000236973940	ref	4.65	-51.98	1	353.488	1.882	2	3	6	CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@@H]2CC[NH2+]C2)c1
178291105	ZINC000236966469	ref	4.8	-49.54	1	355.504	1.75	2	3	9	CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@H](C)C[NH2+]C)cc1
178291109	ZINC000236984672	ref	4.46	-46.83	1	360.502	1.243	3	3	9	CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCN1CC[NH2+]CC1
178291112	ZINC000236978334	ref	6.69	-57.75	1	361.467	1.851	2	3	8	CC[NH2+]CCNC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1
185089770	ZINC000096076032	low	5.54	-47.69	1	295.408	1.275	1	4	4	COCC(=O)N1CC[C@]2(CC[N@H+]2Cc2csc(C)n2)C1
185089772	ZINC000096077976	ref	4.48	-48.47	1	291.395	1.408	1	3	4	CN(C)C(=O)CN1CCC12CC[NH+](Cc1ccoc1)CC2
185089774	ZINC000096077976	mid	5.21	-35.55	1	291.395	1.408	1	3	4	CN(C)C(=O)C[N@@H+]1CCC12CCN(Cc1ccoc1)CC2
178291116	ZINC000236967727	ref	7.91	-55.38	-1	354.353	1.933	1	4	6	CC[C@H](C)[C@H](NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)[O-]
178291120	ZINC000236967805	ref	3.94	-43.91	1	355.504	1.82	2	3	8	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@](C)(C[NH3+])C(C)C)c1
365621067	ZINC000336541240	ref	7.94	-20.88	0	293.432	2.155	0	2	3	Cc1cccc(CCC(=O)N2CC[S@](=O)C[C@@H](C)C2)c1
365621074	ZINC000336541381	ref	5.93	-21.39	0	290.388	2.151	1	2	1	C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cc2ccccc2[nH]1
365621080	ZINC000336541379	ref	5.79	-14.91	0	272.348	2.013	0	2	2	CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)cc1
178291121	ZINC000236980818	ref	3.18	-10.32	0	360.483	1.958	1	6	6	CCOc1ccc(CN2CCN(C(=O)c3csc(CN)n3)CC2)cc1
178291124	ZINC000236980818	mid	3.58	-58.01	1	360.483	1.958	1	5	6	CCOc1ccc(CN2CCN(C(=O)c3csc(C[NH3+])n3)CC2)cc1
178291127	ZINC000236980818	low	5.98	-114.74	2	360.483	1.958	2	4	6	CCOc1ccc(C[NH+]2CCN(C(=O)c3csc(C[NH3+])n3)CC2)cc1
178291130	ZINC000236968547	ref	5.14	-48.43	1	373.906	1.806	1	3	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[NH2+]CC2)ccc1Cl
178291132	ZINC000236968547	high	3.82	-15.89	0	373.906	1.806	1	4	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCNCC2)ccc1Cl
295666488	ZINC000332018972	ref	3.78	-16.83	0	308.469	1.348	1	4	5	CS[C@H]1CCCCN(C(=O)NCCCS(C)(=O)=O)C1
365621088	ZINC000336541377	ref	6.75	-13.87	0	272.348	2.013	0	2	2	CN(C)C(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)cc1
365621068	ZINC000274312386	ref	3.67	-33.44	1	290.411	1.427	1	3	5	CC[C@H](C)NC(=O)CN1CCN(c2cc[nH+]c(C)c2)CC1
365621072	ZINC000274312386	low	5.86	-87.46	2	290.411	1.427	2	2	5	CC[C@H](C)NC(=O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1
282120030	ZINC000170710351	ref	8.95	-14.9	0	340.456	2.815	1	7	2	Cc1nc(N[C@H]2CCc3nc(C)nn3C2)c2c3c(sc2n1)CCC3
282120041	ZINC000329470641	ref	4.58	-50.19	1	336.44	0.202	3	5	3	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)CC2
342597677	ZINC000616981820	ref	9.02	-9.93	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1ccc(-n2ccnc2)nn1
282120059	ZINC000329470641	mid	4.04	-53.31	1	336.44	0.202	3	5	3	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CC2
214189291	ZINC000293626032	ref	1.46	-19.22	0	373.413	0.927	4	5	4	CC(C)C(=O)Nc1cc(C(=O)NC2CCC3(CC2)NC(=O)NC3=O)ccn1
342597678	ZINC000616981820	low	9.58	-38.08	1	273.34	1.923	0	4	5	CC[C@@H](C)N(CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1
282120062	ZINC000329470641	mid	1.87	-14.91	0	336.44	0.202	2	6	3	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCN(C[C@H](C)O)C[C@@H]1C)CC2
342597679	ZINC000590813006	ref	6.13	-20.03	0	289.335	1.777	1	5	5	Cc1cn2cc(NC(=O)COC[C@@H]3CCCO3)ccc2n1
214189294	ZINC000293620664	ref	-0.28	-15.62	0	354.354	0.761	2	5	4	Cn1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C(N)=O)c(C(F)(F)F)n1
342597680	ZINC000590813006	low	6.58	-36.11	1	289.335	1.777	1	4	5	Cc1cn2cc(NC(=O)COC[C@@H]3CCCO3)ccc2[nH+]1
342597681	ZINC000590804382	ref	4.0	-11.14	0	278.4	1.566	2	3	5	CC(C)[C@@H]1C[C@H]1CNC(=O)NC1CCN(CC#N)CC1
282120065	ZINC000329470641	low	4.58	-51.27	1	336.44	0.202	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)CC2
343994301	ZINC000139325810	high	-0.76	-50.66	-1	114.1	-0.721	1	3	0	O=C1CCC(O)=C1[O-]
197595965	ZINC000162836521	ref	5.45	-3.43	0	307.619	3.095	1	3	4	CCN(CC(C)(C)O)c1ncc(Cl)cc1Br
365621079	ZINC000274308677	ref	3.66	-8.06	0	255.343	1.374	0	6	4	CCOC(=O)[C@H]1CCCN1Cc1nnc(C)s1
365621085	ZINC000274313081	ref	3.72	-16.46	0	288.347	1.301	2	3	3	O=C1CC[C@H](C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)N1
365621093	ZINC000274312219	ref	4.51	-18.95	0	266.37	1.383	2	4	4	O=C(NCCc1cn2c(n1)SCC2)NC1CCC1
192038072	ZINC000418462233	ref	2.56	-36.94	1	217.288	0.867	2	1	5	CCCC[C@H](C[NH3+])NC(=O)N1CC(F)C1
365621103	ZINC000274311659	ref	1.63	-8.93	0	296.346	1.139	2	4	3	C[C@H](O)CN1CCN(C(=O)Nc2cccc(F)n2)C[C@H]1C
259308672	ZINC000187709338	ref	5.81	-8.03	0	227.348	2.162	0	2	3	CO[C@@H]1CN(C(=O)[C@@H](C)C(C)C)CC[C@H]1C
342597682	ZINC000616981954	ref	5.41	-15.57	0	278.352	1.811	1	3	7	CC[C@H](C)N(CC)C(=O)COc1ccc(C(N)=O)cc1
197595971	ZINC000162844647	ref	8.44	-9.88	0	305.443	2.579	0	3	2	Cc1ccc(C)c(CC(=O)N2CCS[C@H]3COCC[C@H]32)c1
342597683	ZINC000590812973	ref	4.35	-12.32	0	262.338	1.599	0	5	3	CCc1ncc(C(=O)N2CC(n3cccn3)C2)s1
342597684	ZINC000590800313	ref	6.61	-6.45	0	293.294	1.466	1	4	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)c1ccc(F)cc1
365621082	ZINC000354677878	ref	5.69	-51.25	1	279.384	1.799	2	3	6	CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1cn(C)c(=O)cc1C
342597685	ZINC000616981953	ref	5.29	-15.56	0	278.352	1.811	1	3	7	CC[C@@H](C)N(CC)C(=O)COc1ccc(C(N)=O)cc1
342597686	ZINC000590801458	ref	6.29	-14.35	0	267.26	1.848	1	3	3	O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@@H](F)C1
342597687	ZINC000590800272	ref	4.24	-9.2	0	263.297	1.545	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccnc1
342597688	ZINC000590800329	ref	6.51	-12.88	0	277.324	1.853	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ncccc1C
365621092	ZINC000354677878	high	4.75	-16.06	0	279.384	1.799	2	4	6	CCC[C@@H](NC(C)C)C(=O)Nc1cn(C)c(=O)cc1C
365621101	ZINC000354676618	ref	9.17	-46.01	1	282.453	1.93	1	2	5	C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCSC2)C1
365621104	ZINC000354676618	mid	9.23	-46.26	1	282.453	1.93	1	2	5	C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]2CCSC2)C1
365621111	ZINC000354679055	ref	2.47	-17.61	0	279.292	1.538	2	5	4	COC(=O)[C@@H]1CC[C@@H]1C(=O)Nc1cc(O)cc(OC)c1
342597689	ZINC000616981514	ref	3.22	-19.57	0	298.408	1.736	1	3	6	CC[C@@H](C)N(CC)C(=O)c1ccc(CS(N)(=O)=O)cc1
342597690	ZINC000616981955	ref	6.33	-19.42	0	281.404	1.202	0	5	7	CC[C@@H](C)N(CC)C(=O)CN(C)Cc1nnc(C)n1C
365621118	ZINC000639790536	ref	5.91	-62.17	1	296.374	1.698	2	3	3	O=C1CC[C@@H](C[N@@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)N1
365621123	ZINC000639790536	mid	6.2	-59.72	1	296.374	1.698	2	3	3	O=C1CC[C@@H](C[N@H+]2CC[C@@H](c3ccc4cccnc4n3)C2)N1
295666491	ZINC000412988528	ref	11.56	-11.68	0	317.414	2.933	0	6	6	COC(=O)C1(CSc2nncn2[C@@H](C)c2ccccc2)CC1
365621129	ZINC000639790536	high	3.71	-17.02	0	296.374	1.698	1	4	3	O=C1CC[C@@H](CN2CC[C@@H](c3ccc4cccnc4n3)C2)N1
178305530	ZINC000065531134	ref	8.38	-12.03	0	238.294	2.62	1	4	1	Cc1cc2ncn(-c3cccc(N)n3)c2cc1C
342597691	ZINC000590800550	ref	4.77	-9.27	0	269.301	1.478	1	5	6	CC[C@@](C)(CNC(=O)c1cc([N+](=O)[O-])cn1C)OC
343994302	ZINC000139320620	ref	2.79	-11.15	0	154.213	1.061	1	2	3	CC[C@H](C)[C@@H](C#N)NC(C)=O
214189297	ZINC000293620664	mid	-0.43	-54.6	-1	354.354	0.761	1	5	4	Cn1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C(N)=O)c(C(F)(F)F)n1
342081964	ZINC000625331037	ref	2.63	-7.47	0	266.407	1.368	1	3	10	CCC[C@@H](CNS(=O)(=O)N(CC)CC)OCC
342081965	ZINC000625330843	ref	9.05	-81.26	2	264.417	1.998	1	3	7	CCN(CCn1ccnc1C)C[C@H]1CCC[N@@H+]1CC
342081966	ZINC000625330843	mid	7.86	-77.18	2	264.417	1.998	1	3	7	CCN(CCn1ccnc1C)C[C@H]1CCC[N@H+]1CC
342081967	ZINC000625330843	mid	7.4	-47.62	1	264.417	1.998	1	2	7	CCN(CCn1cc[nH+]c1C)C[C@H]1CCC[N@@H+]1CC
342081968	ZINC000625330843	mid	7.08	-47.63	1	264.417	1.998	1	2	7	CCN(CCn1cc[nH+]c1C)C[C@H]1CCC[N@H+]1CC
214189300	ZINC000293630101	ref	4.83	-17.62	0	369.385	0.688	2	7	3	CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C1
214189303	ZINC000293630101	mid	5.6	-16.32	0	369.385	0.688	2	7	3	CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C(=O)Nc2cc(C)c3nccn3c2)C1
214189304	ZINC000293630101	low	5.32	-38.9	1	369.385	0.688	2	6	3	CO[C@@H]1C[C@@H](c2nc[nH]n2)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1
342081969	ZINC000625330843	high	7.4	-47.62	1	264.417	1.998	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)CCn1ccnc1C
214189307	ZINC000293630101	low	6.1	-40.26	1	369.385	0.688	2	6	3	CO[C@@H]1C[C@@H](c2nnc[nH]2)N(C(=O)C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1
214190497	ZINC000293655158	ref	0.31	-16.52	0	357.428	0.899	2	6	7	CC[C@H](O)CNC(=O)CCS(=O)(=O)c1ccc2c(c1)OCCCO2
349535577	ZINC000258976570	mid	7.17	-53.01	1	204.248	2.219	1	1	4	N#CC1(C[NH2+]Cc2ccc(F)cc2)CC1
214190503	ZINC000293662737	ref	3.14	-11.35	0	372.425	0.97	2	6	2	Cc1cc(NC(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn2ccnc12
214190508	ZINC000293662737	mid	3.63	-33.67	1	372.425	0.97	2	5	2	Cc1cc(NC(=O)C(=O)N2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)cn2cc[nH+]c12
349535582	ZINC000602431335	ref	8.97	-46.96	1	246.354	3.067	1	2	7	COc1cccc(C[N@H+](C)C[C@@H](C)CCC#N)c1
349535584	ZINC000602431335	mid	8.98	-46.48	1	246.354	3.067	1	2	7	COc1cccc(C[N@@H+](C)C[C@@H](C)CCC#N)c1
342081970	ZINC000625330843	high	7.08	-47.63	1	264.417	1.998	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCn1ccnc1C
342081971	ZINC000625330367	ref	1.62	-15.68	0	278.399	1.235	1	5	8	CCOC[C@H](C)CS(=O)(=O)NCc1ccns1
342081972	ZINC000625328049	ref	6.5	-42.24	1	266.389	1.496	1	4	6	COCC[C@H]1CCCC[N@H+](CCc2cn(C)nn2)C1
349535588	ZINC000258943931	ref	4.3	-7.23	0	218.26	1.187	1	5	3	N#Cc1cc(NCC2CCOCC2)ncn1
342597692	ZINC000590804094	ref	1.99	-10.72	0	294.399	1.233	2	4	5	COC1(CNC(=O)NC2CCN(CC#N)CC2)CCCC1
365621086	ZINC000617367933	ref	2.84	-10.88	0	257.33	0.723	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCCO1)C1CCOCC1
365621091	ZINC000617370858	ref	2.01	-11.3	0	267.329	0.89	2	4	5	COC[C@H](NC(=O)c1cnc(C)[nH]1)C1CCOCC1
365621099	ZINC000617370858	low	2.47	-37.26	1	267.329	0.89	2	3	5	COC[C@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCOCC1
365621107	ZINC000617370912	ref	4.25	-35.97	1	272.389	0.886	2	3	8	CC[NH+](CC)CC(=O)N[C@@H](COC)C1CCOCC1
365621112	ZINC000617370912	high	2.38	-7.84	0	272.389	0.886	1	4	8	CCN(CC)CC(=O)N[C@@H](COC)C1CCOCC1
398246010	ZINC000650439460	ref	6.16	-10.74	0	233.302	2.974	1	1	5	C[C@@H](C(=O)NCCC(C)(F)F)C1CCCC1
398246014	ZINC000036135924	ref	0.87	-43.71	1	229.324	-0.047	2	2	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)C
365621119	ZINC000617368142	ref	1.4	-18.35	0	286.372	0.461	2	4	8	CNC(=O)CCCC(=O)N[C@@H](COC)C1CCOCC1
365621126	ZINC000617370874	ref	2.29	-8.76	0	271.357	0.971	1	4	6	COC[C@@H](NC(=O)C[C@@H]1CCOC1)C1CCOCC1
365621133	ZINC000617368623	ref	2.56	-9.27	0	296.371	0.859	1	6	7	CCCn1cc(C(=O)N[C@@H](COC)C2CCOCC2)nn1
365621140	ZINC000617367562	ref	-0.73	-9.18	0	254.286	0.846	1	5	5	COC[C@@H](NC(=O)c1cnco1)C1CCOCC1
365621147	ZINC000617369160	ref	3.78	-10.97	0	267.329	0.591	1	5	5	COC[C@@H](NC(=O)c1cn(C)cn1)C1CCOCC1
342597693	ZINC000616981567	ref	5.25	-16.31	0	292.343	1.434	1	6	7	CC[C@H](C)N(CC)C(=O)CCc1nc(-c2nc[nH]n2)no1
342597694	ZINC000590813098	ref	5.87	-44.87	1	265.357	1.894	1	3	3	Cc1noc(C)c1C(=O)N1CCC[C@H]([NH2+]C(C)C)C1
342597695	ZINC000590800148	ref	4.31	-8.78	0	265.313	1.852	2	4	4	Cc1ccc(NC(=O)N[C@@H](C)C(=O)OC(C)C)cn1
365621155	ZINC000617371137	ref	4.81	-10.42	0	281.356	0.831	1	5	7	COC[C@@H](NC(=O)CCn1ccnc1)C1CCOCC1
282120031	ZINC000449149334	ref	7.63	-37.76	1	252.402	2.46	2	1	6	CCC[NH2+][C@H](C)C(=O)N[C@H]1C[C@H]1C1CCCCC1
365621162	ZINC000617371137	low	5.32	-37.41	1	281.356	0.831	1	4	7	COC[C@@H](NC(=O)CCn1cc[nH+]c1)C1CCOCC1
398246017	ZINC000036135924	high	0.49	-8.76	0	229.324	-0.047	2	3	5	CC[C@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N(C)C
365621168	ZINC000617370857	ref	1.94	-11.26	0	267.329	0.89	2	4	5	COC[C@@H](NC(=O)c1cnc(C)[nH]1)C1CCOCC1
365621175	ZINC000617370857	low	2.41	-37.31	1	267.329	0.89	2	3	5	COC[C@@H](NC(=O)c1c[nH+]c(C)[nH]1)C1CCOCC1
365621180	ZINC000617371133	ref	6.36	-8.58	0	257.253	0.77	0	7	4	CCOC(=O)c1cncnc1Cn1ccnc1C#N
178291118	ZINC000194607699	ref	4.98	-6.47	0	247.294	2.828	1	4	3	Cc1cc2c(cc1NC[C@H]1CCC=CO1)OCO2
214189301	ZINC000278493458	ref	5.53	-9.85	0	315.782	2.314	0	7	7	COC[C@@H](OC(=O)CCn1cc(Cl)cn1)c1nccs1
214189305	ZINC000278492625	ref	6.97	-10.34	0	318.461	3.435	2	2	7	Cc1ccc([C@H]2C[C@@H](C)N(C(=O)NCCCCCCO)C2)cc1
343994304	ZINC000599272844	low	4.78	-45.16	1	279.34	1.263	1	5	3	COC(=O)c1cnc(C[N@@H+]2C[C@H](C)OC(C)(C)C2)cn1
214189310	ZINC000278492805	ref	4.18	-8.1	0	308.179	2.406	1	4	3	Cn1ncc(Br)c1CN[C@H]1COc2ccccc21
398246016	ZINC000649444107	ref	5.38	-11.94	0	243.31	2.032	1	3	3	CC(=O)NCc1cccc(-c2cnn(C)c2C)c1
214189311	ZINC000278492805	low	5.35	-45.29	1	308.179	2.406	1	3	3	Cn1ncc(Br)c1C[NH2+][C@H]1COc2ccccc21
214189312	ZINC000278492881	ref	4.21	-9.62	0	308.378	1.481	2	4	6	CCCN(CCO)C(=O)C(=O)Nc1cc(C)c(OC)cc1C
214189313	ZINC000278491966	ref	10.62	-48.47	1	324.472	3.233	1	3	4	Cc1cc(N2CCC[C@@H]([NH2+]C3CC(c4ccccc4)C3)C2)n(C)n1
342081973	ZINC000625328049	mid	6.41	-42.51	1	266.389	1.496	1	4	6	COCC[C@H]1CCCC[N@@H+](CCc2cn(C)nn2)C1
214189315	ZINC000278492538	ref	5.59	-42.23	-1	315.772	3.072	0	3	4	CC(C)CO[C@H]1CCN(C(=O)c2cc(F)c([O-])c(Cl)c2)C1
214189317	ZINC000278492538	low	4.81	-9.81	0	315.772	3.072	1	3	4	CC(C)CO[C@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1
214189319	ZINC000278491963	ref	3.38	-8.85	0	309.309	3.371	2	4	5	CC(C)Oc1cc(O)ccc1NC(=O)CSC(F)(F)F
214189320	ZINC000278492153	ref	4.86	-43.77	1	307.434	2.887	2	3	10	CCCCCOc1ccc(C[NH2+][C@]2(CCO)CCOC2)cc1
214189322	ZINC000278492153	high	3.96	-5.78	0	307.434	2.887	2	4	10	CCCCCOc1ccc(CN[C@]2(CCO)CCOC2)cc1
214189324	ZINC000278493089	ref	7.65	-42.92	1	316.445	2.275	3	2	6	C[C@](O)(CC(=O)NCC1CC[NH+](C2CC2)CC1)c1ccccc1
214189326	ZINC000278493224	ref	0.24	-10.87	0	305.403	1.836	2	6	6	OCC[C@]1(NCc2csc(-c3ccccn3)n2)CCOC1
214189327	ZINC000278493224	mid	1.23	-42.43	1	305.403	1.836	2	5	6	OCC[C@]1([NH2+]Cc2csc(-c3ccccn3)n2)CCOC1
214189330	ZINC000278493689	ref	2.66	-10.15	0	318.339	1.589	2	3	7	C[C@H](C(=O)NC[C@H](O)Cc1ccccc1)N(C)CC(F)(F)F
214189331	ZINC000278492351	ref	10.08	-42.18	1	321.494	2.315	2	5	4	CC(C)[NH+]1CCC(Nc2cc(N3CCSCC3)ncn2)CC1
185089776	ZINC000096077976	mid	5.22	-36.67	1	291.395	1.408	1	3	4	CN(C)C(=O)C[N@H+]1CCC12CCN(Cc1ccoc1)CC2
365621089	ZINC000625025500	low	6.19	-44.99	1	304.381	2.039	2	2	5	C[C@@H]1C[N@H+](CCNC(=O)CC2CCC(F)(F)CC2)CCO1
365621095	ZINC000625025500	low	6.15	-44.56	1	304.381	2.039	2	2	5	C[C@@H]1C[N@@H+](CCNC(=O)CC2CCC(F)(F)CC2)CCO1
365621102	ZINC000625026015	ref	4.8	-10.14	0	303.449	2.12	0	4	5	CN(CCc1cccs1)S(=O)(=O)[C@H]1COC(C)(C)C1
365621110	ZINC000625023907	ref	4.39	-9.0	0	301.452	2.442	1	3	3	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)CO1
365621116	ZINC000625024586	ref	7.45	-17.56	0	304.365	2.056	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1
365621121	ZINC000625023906	ref	4.19	-8.96	0	301.452	2.442	1	3	3	CC1(C)C[C@H](S(=O)(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)CO1
365621127	ZINC000625026017	ref	4.88	-10.22	0	303.449	2.12	0	4	5	CN(CCc1cccs1)S(=O)(=O)[C@@H]1COC(C)(C)C1
365621132	ZINC000625027316	ref	6.46	-12.95	0	315.41	2.197	0	3	6	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@@H]1C
365621139	ZINC000625026450	ref	7.99	-20.06	0	319.449	2.361	1	2	3	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1CCC[C@H](C2CCC2)C1
365621143	ZINC000625026703	ref	6.03	-12.91	0	312.454	2.25	2	3	9	CCO[C@H](C(=O)NCCNC(=O)CC1CCCCC1)C(C)C
365621148	ZINC000625025732	ref	2.85	-10.77	0	301.399	2.092	1	3	9	CCN(CCCO)S(=O)(=O)CC(C)(C)C(F)(F)CC
282120032	ZINC000248948346	mid	6.83	-37.5	1	308.397	1.877	2	2	6	CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@H](C)[C@H]1CO
365621152	ZINC000625027137	ref	3.85	-9.59	0	315.357	2.158	0	3	2	CC1(C)C[C@@H](S(=O)(=O)N2CCC(C(F)(F)F)CC2)CO1
299072339	ZINC000358087632	ref	6.62	-57.07	1	315.299	1.892	1	5	7	C[C@H]([NH2+]CCOCC(F)(F)F)c1ccc(-n2cnnn2)cc1
365621160	ZINC000625026562	ref	6.38	-10.88	0	303.374	2.425	0	2	4	C[C@@H]1CN(S(=O)(=O)CCc2c(F)cccc2F)C[C@H]1C
398246018	ZINC000650858180	ref	0.4	-8.39	0	275.349	1.532	3	4	6	Cc1nc([C@H](C)NC(=O)N[C@H](CO)CCF)cs1
365621166	ZINC000625027353	ref	4.97	-11.43	0	301.383	2.233	1	3	8	CO[C@@H](CS(=O)(=O)NCCC1CC1)c1ccc(F)cc1
197595986	ZINC000290100823	ref	7.2	-10.98	0	295.81	3.204	1	2	6	C[C@@H](NC(=O)CCCc1ccccc1Cl)[C@H]1CCOC1
365621171	ZINC000625024589	ref	7.67	-18.15	0	304.365	2.056	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1
342081974	ZINC000625328053	ref	6.42	-41.74	1	266.389	1.496	1	4	6	COCC[C@@H]1CCCC[N@H+](CCc2cn(C)nn2)C1
342081975	ZINC000625328053	mid	6.5	-42.06	1	266.389	1.496	1	4	6	COCC[C@@H]1CCCC[N@@H+](CCc2cn(C)nn2)C1
342081976	ZINC000625330901	ref	2.4	-11.21	0	255.355	1.471	1	3	10	CCC[C@@H](CNS(=O)(=O)CCCF)OCC
342081977	ZINC000625330771	ref	4.53	-32.6	1	258.406	1.454	1	3	9	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H](COC)OC
349535578	ZINC000594973985	ref	9.83	-36.41	1	275.392	2.633	1	2	6	COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCc1ccc(C)c(C)c1
342081978	ZINC000625330771	mid	4.39	-32.87	1	258.406	1.454	1	3	9	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H](COC)OC
365621094	ZINC000479698009	ref	5.92	-41.12	1	285.432	1.831	3	2	7	C[C@@H](C[NH+](C)C)NC(=O)NCCO[C@H]1CCCC[C@@H]1C
365621097	ZINC000479698009	high	3.31	-7.37	0	285.432	1.831	2	3	7	C[C@@H](CN(C)C)NC(=O)NCCO[C@H]1CCCC[C@@H]1C
365638743	ZINC000123429287	high	3.45	-46.21	-1	292.354	2.302	1	3	4	C=C(C)CN1CCC(NC(=O)c2c([O-])cccc2F)CC1
365638748	ZINC000123494433	ref	7.25	-16.61	0	274.364	2.3	1	3	7	CC(C)[C@@](C)(C#N)NC(=O)COCCc1ccccc1
282120034	ZINC000248948346	high	4.78	-11.12	0	308.397	1.877	1	3	6	CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@H](C)[C@H]1CO
282120037	ZINC000248954245	ref	2.72	-12.01	0	305.382	1.947	0	7	6	CCCn1cc(CN2C[C@@H](OC)C[C@H]2c2nc(C)no2)cn1
349535585	ZINC000594972291	ref	5.02	-46.63	1	286.303	2.537	2	4	7	COc1cc(C[NH2+]CCC(C)(C)F)c([N+](=O)[O-])cc1O
282120043	ZINC000248948638	ref	2.83	-11.29	0	304.437	1.515	0	5	6	CCN(CCc1nccs1)S(=O)(=O)[C@@H]1CCO[C@H]1C
365638754	ZINC000123558443	ref	4.59	-10.27	0	276.38	2.477	1	3	4	CC(C)CCC(=O)N1CCN(c2cccc(O)c2)CC1
365638760	ZINC000123466708	ref	9.43	-36.53	1	271.364	2.376	1	3	2	Cc1cccn2c(=O)cc(C[NH+]3[C@H](C)CC[C@H]3C)nc12
398246019	ZINC000179907155	ref	7.27	-12.43	0	241.331	3.216	1	2	5	CSCCCC(=O)Nc1c(C)cccc1F
290622969	ZINC000492078591	ref	3.45	-9.44	0	312.41	1.831	2	4	2	CNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@H]2CCCO[C@H]2C1(C)C
365638765	ZINC000123466708	high	7.11	-11.79	0	271.364	2.376	0	4	2	Cc1cccn2c(=O)cc(CN3[C@H](C)CC[C@H]3C)nc12
349535589	ZINC000594972291	high	5.93	-60.98	0	286.303	2.537	1	4	7	COc1cc(C[NH2+]CCC(C)(C)F)c([N+](=O)[O-])cc1[O-]
365638771	ZINC000123554283	ref	10.37	-82.99	2	297.487	2.297	2	1	8	CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1
190491879	ZINC000269404704	ref	1.87	-19.45	0	279.34	0.906	3	3	4	CNC(=O)C(C)(C)CNC(=O)c1c(C)cc(C)[nH]c1=O
349535592	ZINC000594973268	ref	9.26	-44.91	1	261.365	2.591	1	2	5	COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1
365638778	ZINC000123554283	high	8.1	-40.33	1	297.487	2.297	1	2	8	CCN(CC)C(=O)[C@@H](C)N1CCC(CCC[NH+](C)C)CC1
342081979	ZINC000625330771	mid	4.53	-32.6	1	258.406	1.454	1	3	9	CCN1CCC[C@H]1C[N@H+](CC)C[C@H](COC)OC
398246025	ZINC000179907718	ref	7.73	-35.64	1	238.375	3.615	1	2	6	CC(C)CC[C@H]([NH2+]Cc1ccon1)C(C)(C)C
342081980	ZINC000625330771	mid	4.39	-32.87	1	258.406	1.454	1	3	9	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H](COC)OC
365621096	ZINC000336541565	ref	6.61	-19.16	0	259.305	2.098	0	3	2	COC(=O)c1cccc(C(=O)N2C[C@H]3CCC[C@@H]32)c1
365621100	ZINC000336541055	ref	3.65	-12.02	0	285.384	2.225	0	3	3	CS(=O)(=O)[C@@H]1CCCCN(Cc2cccc(F)c2)C1
365621106	ZINC000336541055	low	6.14	-47.37	1	285.384	2.225	1	2	3	CS(=O)(=O)[C@@H]1CCCC[N@H+](Cc2cccc(F)c2)C1
365621109	ZINC000336541055	low	6.22	-47.83	1	285.384	2.225	1	2	3	CS(=O)(=O)[C@@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1
365621115	ZINC000336541760	ref	4.8	-19.18	0	274.349	2.153	1	5	3	Cc1c([C@H](C)NC(=O)c2cscc2C#N)cnn1C
365621122	ZINC000336541490	ref	7.54	-40.2	1	272.396	2.25	1	3	3	C[NH+](C)[C@H]1CCCN(Cc2cnc3ccccn23)CC1
365621128	ZINC000336541490	low	10.16	-108.9	2	272.396	2.25	2	2	3	C[NH+](C)[C@H]1CCC[N@H+](Cc2cnc3ccccn23)CC1
365621130	ZINC000336541490	low	10.15	-108.3	2	272.396	2.25	2	2	3	C[NH+](C)[C@H]1CCC[N@@H+](Cc2cnc3ccccn23)CC1
346818899	ZINC000611564922	ref	7.45	-9.09	0	260.253	1.375	0	6	2	O=[N+]([O-])c1cccc2ncnc(N3CCOCC3)c12
365621135	ZINC000336541229	ref	5.22	-18.37	0	295.404	2.068	0	3	3	CCOc1ccc(C(=O)N2CC[S@](=O)CC[C@@H]2C)cc1
365621141	ZINC000336541380	ref	6.71	-13.9	0	272.348	2.013	0	2	2	CN(C)C(=O)c1ccc(C(=O)N2C[C@H]3CCC[C@H]32)cc1
365621146	ZINC000336541770	ref	6.67	-19.44	0	257.337	2.341	1	3	3	C[C@@H]1CC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1
365621150	ZINC000336541200	ref	5.09	-23.2	0	290.388	2.151	1	2	1	C[C@@H]1CC[S@@](=O)CCN1C(=O)c1ccc2cc[nH]c2c1
342081981	ZINC000625328064	ref	6.96	-44.92	1	284.363	1.489	1	4	3	Cn1cc(CC[N@@H+]2CC[C@@]3(C2)OCc2ccccc23)nn1
365621156	ZINC000336541061	ref	7.47	-19.21	0	293.432	2.297	0	2	3	Cc1ccc(CCC(=O)N2CC[C@H](C)[S@@](=O)CC2)cc1
365621161	ZINC000336541212	ref	5.08	-8.07	0	290.697	2.416	2	2	2	O=C(Nc1ccc(F)cc1Cl)N1C[C@H](F)C[C@@H]1CO
365621167	ZINC000336541574	ref	6.86	-11.05	0	265.334	2.159	0	4	2	COC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@@H]32)s1
365621176	ZINC000336541706	ref	5.62	-20.19	0	293.379	2.181	0	2	1	C[C@@H]1CC[S@](=O)CCN1C(=O)C1CCC(F)(F)CC1
342081982	ZINC000625328064	mid	7.01	-42.68	1	284.363	1.489	1	4	3	Cn1cc(CC[N@H+]2CC[C@@]3(C2)OCc2ccccc23)nn1
365621181	ZINC000336541230	ref	5.18	-13.18	0	295.404	2.068	0	3	3	CCOc1ccc(C(=O)N2CC[S@](=O)CC[C@H]2C)cc1
365621186	ZINC000336541257	ref	5.71	-19.28	0	283.393	2.134	0	3	2	CCc1oc(C(=O)N2CC[C@H](C)[S@@](=O)CC2)cc1C
365621108	ZINC000274311659	mid	4.11	-42.58	1	296.346	1.139	3	3	3	C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(F)n2)C[C@H]1C
342597696	ZINC000590800149	ref	3.62	-13.88	0	265.269	1.582	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1
365621113	ZINC000274311659	mid	3.93	-44.25	1	296.346	1.139	3	3	3	C[C@H](O)C[N@H+]1CCN(C(=O)Nc2cccc(F)n2)C[C@H]1C
365621117	ZINC000274310790	ref	5.49	-6.35	0	276.34	1.452	1	4	2	C[C@@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cncnc1
365621125	ZINC000274309139	ref	7.52	-18.95	0	273.336	1.729	0	4	6	Cc1cccc(OCCN(C)C(=O)Cn2cccn2)c1
342597697	ZINC000616981610	ref	7.39	-16.74	0	276.344	1.056	1	6	5	CC[C@@H](C)N(CC)C(=O)Cn1cnc2c(N)ncnc21
197595994	ZINC000162838745	ref	4.58	-17.47	0	306.786	2.35	1	3	3	CS(=O)(=O)[C@@H]1CCC[C@@]1(O)Cc1ccc(Cl)cc1F
342597698	ZINC000079255424	ref	4.12	-11.88	0	255.362	1.198	2	2	6	CC(C)C(=O)NCCNC(=O)N(C)[C@H](C)C1CC1
365621134	ZINC000274312384	ref	3.67	-33.48	1	290.411	1.427	1	3	5	CC[C@@H](C)NC(=O)CN1CCN(c2cc[nH+]c(C)c2)CC1
365621138	ZINC000274312384	low	5.86	-87.49	2	290.411	1.427	2	2	5	CC[C@@H](C)NC(=O)C[NH+]1CCN(c2cc[nH+]c(C)c2)CC1
365621145	ZINC000645273114	ref	4.99	-6.44	0	265.382	1.388	0	5	3	CN1CCO[C@H](CSc2ncnc3c2CCC3)C1
365621149	ZINC000645273114	low	7.4	-40.81	1	265.382	1.388	1	4	3	C[N@@H+]1CCO[C@H](CSc2ncnc3c2CCC3)C1
365621154	ZINC000645273114	low	6.97	-41.48	1	265.382	1.388	1	4	3	C[N@H+]1CCO[C@H](CSc2ncnc3c2CCC3)C1
365621159	ZINC000274312398	ref	5.9	-46.77	1	268.357	1.927	1	3	2	Fc1cncc(C[N@@H+]2CCS[C@@H]3COCC[C@@H]32)c1
365621164	ZINC000274312398	mid	6.3	-42.81	1	268.357	1.927	1	3	2	Fc1cncc(C[N@H+]2CCS[C@@H]3COCC[C@@H]32)c1
185089778	ZINC000096077976	low	7.54	-107.02	2	291.395	1.408	2	2	4	CN(C)C(=O)C[N@@H+]1CCC12CC[NH+](Cc1ccoc1)CC2
365621169	ZINC000274312398	mid	4.86	-5.04	0	268.357	1.927	0	4	2	Fc1cncc(CN2CCS[C@@H]3COCC[C@@H]32)c1
365621174	ZINC000353180619	ref	3.29	-39.93	1	256.371	1.735	1	4	5	CCO[C@H]1COCC[C@@H]1[NH2+]Cc1cnc(C)s1
365621177	ZINC000353180619	high	2.1	-4.75	0	256.371	1.735	1	5	5	CCO[C@H]1COCC[C@@H]1NCc1cnc(C)s1
214189314	ZINC000053563793	ref	6.32	-69.75	0	338.835	2.23	1	3	3	O=C(c1ccc([O-])c(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1
365621183	ZINC000274313350	ref	3.49	-10.36	0	277.324	1.701	1	4	5	CCC[C@]1(C)NC(=O)N(Cc2ccc(OC)cn2)C1=O
365621191	ZINC000274312448	ref	3.18	-13.15	0	284.323	1.122	1	6	3	O=C(Nc1cncnc1)C1CCN(c2cnccn2)CC1
398246021	ZINC000649443880	ref	3.86	-7.07	0	242.318	2.942	2	2	4	C[C@H](CO)c1ccc(-c2ccc(CO)cc2)cc1
168364976	ZINC000368501297	ref	7.22	-13.79	0	347.436	3.355	0	5	5	COc1cc(CN(C)C(=O)c2occ3c2CCOC3)ccc1SC
214189316	ZINC000053563793	low	5.54	-48.86	1	338.835	2.23	2	3	3	O=C(c1ccc(O)c(Cl)c1)N1CCC(C[NH+]2CCOCC2)CC1
398246023	ZINC000649443977	ref	3.68	-52.9	1	243.31	1.442	2	3	2	Cn1c(CO)nc2ccc(C3=CC[NH2+]CC3)cc21
168364978	ZINC000368499279	ref	6.56	-48.94	1	328.412	3.149	2	3	5	COc1cccc2cc([C@H](C)[NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)oc12
214189318	ZINC000053563793	high	4.25	-42.42	-1	338.835	2.23	0	4	3	O=C(c1ccc([O-])c(Cl)c1)N1CCC(CN2CCOCC2)CC1
214189321	ZINC000053574278	ref	7.13	-28.78	0	337.379	2.751	2	5	3	Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(O)c1
214189323	ZINC000053574278	high	8.13	-86.02	-1	337.379	2.751	1	5	3	Cc1ccc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c([O-])c1
214189325	ZINC000053555733	ref	11.26	-52.19	1	334.427	2.83	2	5	4	c1ccc(-c2nnc3ccc(NC4CC[NH+](C5CC5)CC4)nn23)cc1
214189328	ZINC000053555733	high	9.29	-14.04	0	334.427	2.83	1	6	4	c1ccc(-c2nnc3ccc(NC4CCN(C5CC5)CC4)nn23)cc1
214189329	ZINC000053581204	ref	8.57	-36.03	1	325.416	2.533	2	4	4	Cc1cc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)nc(N)[nH+]1
214189332	ZINC000053581204	high	8.12	-13.56	0	325.416	2.533	2	5	4	Cc1cc(N[C@H](C(=O)N2CCCCC2)c2ccccc2)nc(N)n1
398246030	ZINC000649443962	ref	5.0	-56.37	1	242.322	1.738	2	1	1	C[C@H]1Cc2c(cccc2C2=CC[NH2+]CC2)C(=O)N1
342597699	ZINC000616981484	ref	4.49	-15.48	0	257.378	1.86	2	2	8	CCCC[C@H](NC(N)=O)C(=O)N(CC)[C@@H](C)CC
168364979	ZINC000368499279	high	5.82	-14.67	0	328.412	3.149	2	4	5	COc1cccc2cc([C@H](C)N[C@H]3CCC(=O)N[C@H]3C3CC3)oc12
168364982	ZINC000368500159	ref	6.0	-42.96	-1	339.802	3.024	1	4	7	CCC[C@@H](C)CC(=O)N[C@H](c1ccc(Cl)c(F)c1)c1nnn[n-]1
398246035	ZINC000649443902	ref	9.04	-41.96	1	243.354	2.5	1	2	4	Cc1c(-c2ccc(CC[NH+](C)C)cc2)cnn1C
214189335	ZINC000053579993	ref	8.49	-52.55	1	349.5	3.01	3	3	5	S=C(NCCC[NH+]1CCCCCC1)Nc1ccc2c(c1)OCCO2
398246040	ZINC000649443806	ref	6.16	-49.2	1	216.309	2.673	1	2	1	C1=C(c2ccc3sncc3c2)CC[NH2+]C1
192038074	ZINC000418463196	ref	3.05	-50.73	1	201.314	1.023	2	1	6	CCCN(CC)C(=O)NC[C@H](C)C[NH3+]
342597700	ZINC000194575980	ref	4.21	-51.81	-1	266.326	1.208	0	6	3	CSc1nn(Cc2noc3c2CCCC3)c(=O)[n-]1
365621120	ZINC000121822946	mid	5.45	-8.17	0	296.411	2.399	1	3	5	CN(C)Cc1ccc(CNC(=O)[C@H]2CCCS2)cc1F
365621124	ZINC000121830053	ref	7.63	-13.7	0	286.441	2.035	1	3	6	CCSCC[C@@H](C)NC(=O)[C@H]1CCCCN1C(C)=O
214189333	ZINC000278492351	low	10.44	-86.68	2	321.494	2.315	2	4	4	CC(C)[NH+]1CCC(Nc2cc(N3CCSCC3)[nH+]cn2)CC1
342597701	ZINC000194575980	mid	5.41	-13.41	0	266.326	1.208	1	6	3	CSc1nn(Cc2noc3c2CCCC3)c(=O)[nH]1
365621131	ZINC000121829723	ref	8.76	-14.26	0	278.4	2.412	1	3	7	CCC[C@H]1C[C@H]1NC(=O)N(C)CCCn1ccnc1C
197595996	ZINC000290101510	ref	11.55	-14.47	0	298.39	2.571	0	5	4	COc1ccccc1Cc1nnc(N2CCC=C(C)C2)n1C
342597702	ZINC000590801457	ref	6.26	-13.99	0	267.26	1.848	1	3	3	O=C(NCc1cccc([N+](=O)[O-])c1)N1CC[C@H](F)C1
365621136	ZINC000121829723	mid	9.23	-34.9	1	278.4	2.412	1	2	7	CCC[C@H]1C[C@H]1NC(=O)N(C)CCCn1cc[nH+]c1C
365621142	ZINC000121826858	ref	4.0	-9.23	0	263.341	2.03	1	3	5	COc1ccc(CNC(=O)N(C)[C@H](C)C2CC2)cn1
365621153	ZINC000121827457	ref	5.16	-9.26	0	263.337	2.178	1	3	5	COCc1cccc(C(=O)NCC(=O)C(C)(C)C)c1
214189334	ZINC000278492351	low	10.55	-91.18	2	321.494	2.315	2	4	4	CC(C)[NH+]1CCC(Nc2cc(N3CCSCC3)nc[nH+]2)CC1
398246022	ZINC000390775442	ref	5.55	-55.98	1	221.279	2.402	2	1	6	FCCCC[NH2+]Cc1[nH]nc2ccccc12
342597703	ZINC000616981482	ref	4.59	-15.9	0	257.378	1.86	2	2	8	CCCC[C@@H](NC(N)=O)C(=O)N(CC)[C@H](C)CC
365621158	ZINC000121828808	ref	8.09	-44.56	1	293.798	2.363	2	2	6	C[NH+](C)CCNC(=O)CCn1ccc2cc(Cl)ccc21
365621165	ZINC000121828808	high	5.62	-8.83	0	293.798	2.363	1	3	6	CN(C)CCNC(=O)CCn1ccc2cc(Cl)ccc21
342597704	ZINC000616981483	ref	4.54	-15.93	0	257.378	1.86	2	2	8	CCCC[C@H](NC(N)=O)C(=O)N(CC)[C@H](C)CC
365621172	ZINC000121828876	ref	6.18	-6.77	0	250.342	2.287	1	2	4	C[C@@]1(C2CC2)NC(=O)N(CCC2CCCC2)C1=O
342597705	ZINC000590800315	ref	2.7	-9.62	0	293.323	1.553	2	5	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OC)nc1
398246026	ZINC000390775442	mid	5.56	-45.39	1	221.279	2.402	2	1	6	FCCCC[NH2+]Cc1n[nH]c2ccccc12
342597706	ZINC000616981708	ref	3.26	-13.05	0	298.408	1.903	1	3	5	CC[C@@H](C)N(CC)C(=O)c1ccc(S(N)(=O)=O)c(C)c1
365621182	ZINC000121831472	ref	6.43	-11.13	0	250.346	2.461	1	3	4	CC(C)[C@@H](C)N(C(=O)Nc1cnn(C)c1)C1CC1
398246029	ZINC000650439334	ref	4.56	-12.19	0	223.301	2.087	2	3	3	CSc1cccnc1NC(=O)NC1CC1
178291134	ZINC000236970809	ref	6.97	-47.57	-1	351.794	1.924	1	7	7	CC[C@@H](C(=O)N[C@@H](C)CC(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
214189336	ZINC000278493996	ref	4.11	-11.58	0	315.373	2.563	1	5	3	Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCOC[C@@H]3C)c12
282120035	ZINC000449149269	ref	6.09	-35.23	1	282.428	2.227	2	2	8	CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1(CC)CC
342081983	ZINC000625328064	high	4.39	-12.77	0	284.363	1.489	0	5	3	Cn1cc(CCN2CC[C@@]3(C2)OCc2ccccc23)nn1
178291140	ZINC000236979920	ref	7.36	-93.05	2	364.465	1.133	3	3	5	CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2C[NH2+]CCO2)CC1
178291144	ZINC000236979920	mid	6.01	-39.04	1	364.465	1.133	3	4	5	CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CNCCO2)CC1
178291146	ZINC000236979920	high	3.64	-10.18	0	364.465	1.133	2	5	5	CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CNCCO2)CC1
178291148	ZINC000236967487	ref	4.41	-55.57	1	366.853	1.297	2	6	10	CC[C@@H](C(=O)NCC[NH2+]CCOC)n1nnc(-c2ccc(Cl)cc2)n1
178291150	ZINC000236967487	high	2.99	-16.21	0	366.853	1.297	2	7	10	CC[C@@H](C(=O)NCCNCCOC)n1nnc(-c2ccc(Cl)cc2)n1
178291155	ZINC000236979967	ref	6.42	-38.88	1	366.506	1.807	3	4	5	CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CSCN2)CC1
136228520	ZINC000282817335	ref	9.86	-11.31	0	220.32	2.009	0	4	3	C=C(C)Cn1c(C)nnc1N1CC[C@@H](C)C1
342081984	ZINC000625330054	ref	4.04	-45.68	1	266.393	1.077	1	5	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)c1nnnn1C
136228521	ZINC000282811476	ref	5.81	-13.0	0	245.326	1.717	1	3	4	C#CCCCC(=O)N[C@@H]1CCCc2nn(C)cc21
178291159	ZINC000236979967	mid	7.82	-92.73	2	366.506	1.807	3	3	5	CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CSC[NH2+]2)CC1
342597707	ZINC000616982294	ref	6.87	-12.86	0	272.414	1.945	0	3	5	CCC(=O)N1CSC[C@@H]1C(=O)N(CC)[C@H](C)CC
178291162	ZINC000236979967	high	4.05	-6.03	0	366.506	1.807	2	5	5	CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CSCN2)CC1
178291163	ZINC000236985057	ref	3.76	-66.15	1	353.488	1.574	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1
178291166	ZINC000236974321	ref	7.84	-59.44	-1	354.353	1.933	1	4	6	CC[C@H](C)[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2F)C1)C(=O)[O-]
230233846	ZINC000331098817	ref	-1.41	-19.94	0	261.274	-1.433	3	6	5	COC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@](C)(O)CO)O1
230233852	ZINC000331118484	ref	-0.46	-11.86	0	271.317	-1.125	2	4	4	CC(=O)NCC(=O)NCC(=O)N1CCO[C@H](C)[C@@H]1C
230233858	ZINC000331094129	ref	-1.02	-11.43	0	280.346	-1.2	1	5	6	CCS(=O)(=O)N(C)CC(=O)NC[C@H]1COCCO1
185089780	ZINC000096077976	low	7.55	-109.3	2	291.395	1.408	2	2	4	CN(C)C(=O)C[N@H+]1CCC12CC[NH+](Cc1ccoc1)CC2
185089782	ZINC000096077976	high	2.16	-9.83	0	291.395	1.408	0	4	4	CN(C)C(=O)CN1CCC12CCN(Cc1ccoc1)CC2
185089784	ZINC000096077912	ref	10.65	-37.66	1	274.367	3.978	1	1	1	Cc1ccc([C@@H]2[NH2+]Cc3ccccc3-n3cccc32)cc1
185089785	ZINC000096077912	mid	9.29	-5.4	0	274.367	3.978	1	2	1	Cc1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1
342597708	ZINC000616981956	ref	6.45	-19.36	0	281.404	1.202	0	5	7	CC[C@H](C)N(CC)C(=O)CN(C)Cc1nnc(C)n1C
197596001	ZINC000162840874	ref	6.1	-8.72	0	300.362	2.177	2	4	3	CCc1cc(NC(=O)C(=O)Nc2cc(C)cc(C)c2)n(C)n1
342597709	ZINC000616982085	ref	3.36	-18.09	0	298.408	1.736	1	3	6	CC[C@H](C)N(CC)C(=O)c1cccc(CS(N)(=O)=O)c1
342597710	ZINC000590812918	ref	4.39	-50.38	1	277.368	1.698	2	2	3	Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c(=O)[nH]1
282120038	ZINC000533440908	low	7.45	-39.74	1	278.4	1.734	1	3	5	CCn1cc(C[N@H+](C)[C@@H]2CCCN(C(C)C)C2=O)cn1
342597711	ZINC000616982355	ref	6.46	-44.5	1	271.405	1.09	1	3	8	CC[C@H](C)N(CC)C(=O)CN(C)CC(=O)NC(C)C
282120039	ZINC000533440908	low	7.46	-39.42	1	278.4	1.734	1	3	5	CCn1cc(C[N@@H+](C)[C@@H]2CCCN(C(C)C)C2=O)cn1
185089790	ZINC000096078450	ref	4.17	-42.06	1	281.331	1.028	2	4	3	Fc1cccnc1NC[C@H]1CO[C@@]2(C[NH2+]CCOC2)C1
365621137	ZINC000354678649	ref	2.95	-48.45	1	279.315	1.022	3	2	5	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1
342597712	ZINC000616982355	low	6.46	-44.41	1	271.405	1.09	2	2	8	CC[C@H](C)N(CC)C(=O)C[N@H+](C)CC(=O)NC(C)C
197596013	ZINC000162842904	ref	5.98	-10.75	0	318.373	1.65	2	4	6	CCOC(=O)C(C)(C)NC(=O)c1ccc(C(=O)NC2CC2)cc1
365621144	ZINC000354678371	ref	4.8	-4.2	0	282.384	1.317	1	3	1	C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1C[C@H](C)CCC[C@@H]1C
365621151	ZINC000354677421	ref	4.7	-5.44	0	299.367	1.196	1	5	7	C/C=C/C[C@H](NC(=O)C1(OC)CCOCC1)C(=O)OCC
214189337	ZINC000053557234	ref	5.2	-26.33	0	340.404	2.439	1	4	5	O=C(NCCS(=O)(=O)c1ccccc1)c1cccc2cccnc12
342597713	ZINC000616982355	low	6.46	-44.5	1	271.405	1.09	2	2	8	CC[C@H](C)N(CC)C(=O)C[N@@H+](C)CC(=O)NC(C)C
365621157	ZINC000354678317	ref	4.0	-42.04	1	280.368	1.508	3	3	4	Cc1oc(C(C)C)cc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1
185089792	ZINC000096075986	ref	6.96	-40.84	1	274.368	1.55	1	4	4	COc1cc(N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)ncn1
342597714	ZINC000616982010	ref	6.46	-8.77	0	251.33	1.524	0	4	5	CC[C@@H](C)N(CC)C(=O)c1ccc(=O)n(CC)n1
365621163	ZINC000354678317	mid	4.01	-41.19	1	280.368	1.508	3	3	4	Cc1oc(C(C)C)cc1C(=O)NC[C@@]1(O)CC[N@@H+](C)C1
365621170	ZINC000354678317	high	1.35	-8.33	0	280.368	1.508	2	4	4	Cc1oc(C(C)C)cc1C(=O)NC[C@@]1(O)CCN(C)C1
342597715	ZINC000590804228	ref	1.98	-11.95	0	282.388	1.089	2	4	7	CCC[C@@H](CNC(=O)NC1CCN(CC#N)CC1)OC
342597716	ZINC000590800179	ref	4.53	-13.36	0	292.335	1.85	2	4	3	CCOC(=O)c1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1
365621173	ZINC000354677436	ref	4.38	-6.0	0	299.367	1.196	1	5	7	C/C=C\C[C@@H](NC(=O)C1(OC)CCOCC1)C(=O)OCC
343994306	ZINC000139351592	ref	2.82	-46.71	1	194.234	0.902	1	3	3	N[C@H](CN1CCCC1=O)c1ccco1
323004211	ZINC000126711139	mid	5.77	-45.1	-1	241.316	0.385	1	5	4	O=C([O-])[C@H]1CSCC[N@H+]1CCn1ccnc1
342597717	ZINC000590813005	ref	6.07	-20.06	0	289.335	1.777	1	5	5	Cc1cn2cc(NC(=O)COC[C@H]3CCCO3)ccc2n1
365621179	ZINC000354678548	ref	4.74	-11.99	0	261.387	1.617	0	3	7	CCN(CCC1CC1)S(=O)(=O)C[C@@H]1CCCO1
365621184	ZINC000354676365	ref	4.67	-26.34	0	281.352	1.494	1	2	3	O=C(N[C@H]1CC[S@](=O)C1)C1(c2cccc(F)c2)CC1
342597718	ZINC000590813005	low	6.51	-36.0	1	289.335	1.777	1	4	5	Cc1cn2cc(NC(=O)COC[C@H]3CCCO3)ccc2[nH+]1
342597719	ZINC000616981515	ref	3.38	-19.46	0	298.408	1.736	1	3	6	CC[C@H](C)N(CC)C(=O)c1ccc(CS(N)(=O)=O)cc1
365621189	ZINC000354677207	ref	5.51	-10.74	0	287.363	1.814	2	4	5	Cc1nn(-c2ccccc2)cc1CNC(=O)[C@H](O)C(C)C
342597720	ZINC000590802284	ref	5.24	-16.22	0	292.383	1.836	1	4	4	Cn1cc([C@@H]2CCCN2C(=O)NCC[C@@H]2CCCO2)cn1
214725044	ZINC000299567199	ref	0.37	-15.95	0	352.416	0.636	2	6	8	CCOc1ccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)cc1
342597721	ZINC000590800304	ref	2.83	-9.25	0	293.323	1.553	2	5	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cccnc1OC
342597722	ZINC000616981821	ref	9.15	-9.92	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1ccc(-n2ccnc2)nn1
342597723	ZINC000616981821	low	9.71	-38.02	1	273.34	1.923	0	4	5	CC[C@H](C)N(CC)C(=O)c1ccc(-n2cc[nH+]c2)nn1
349535580	ZINC000618816468	ref	5.14	-21.72	0	277.353	1.204	0	6	4	CSc1cccnc1C(=O)N(C)Cc1cn(C)nn1
365621196	ZINC000354676315	ref	5.85	-10.06	0	288.395	1.95	0	4	2	C[C@H]1C[C@H](C)N(C(=O)C2CCN(c3cnccn3)CC2)C1
166172911	ZINC000231669996	ref	5.31	-96.12	2	168.284	1.246	2	0	3	C=CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1
259308675	ZINC000306106672	ref	9.62	-42.13	1	249.423	3.789	1	1	4	Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCSC2)cc1
365621178	ZINC000625027314	ref	5.95	-12.93	0	315.41	2.197	0	3	6	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)N1CCC[C@@H]1C
365621185	ZINC000625025127	ref	7.7	-20.64	0	323.4	2.37	1	5	6	CCn1cc(C(=O)NCCc2ccn(-c3ccccc3)n2)c(C)n1
342081985	ZINC000625330054	mid	4.3	-46.6	1	266.393	1.077	1	5	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)c1nnnn1C
342081986	ZINC000625330289	ref	2.61	-9.42	0	264.391	1.12	1	3	9	CCC[C@@H](CNS(=O)(=O)N(C)C1CC1)OCC
290622966	ZINC000492524529	ref	3.54	-12.43	0	271.32	2.016	2	4	4	C[C@@H](NC(=O)/C=C/c1ccc(O)cc1)c1cnn(C)c1
342081987	ZINC000625327905	ref	1.81	-41.59	1	269.341	1.488	2	4	8	OCC[C@@H]([NH2+]CCOC1CCOCC1)c1ccco1
342081988	ZINC000625327905	mid	0.52	-9.81	0	269.341	1.488	2	5	8	OCC[C@@H](NCCOC1CCOCC1)c1ccco1
342081989	ZINC000625330786	ref	3.89	-7.84	0	267.417	1.413	1	2	6	CCN1CC[C@@H](N(CC)C[C@@H]2CCC[N@@H+]2CC)C1=O
342081990	ZINC000625330786	mid	6.8	-34.7	1	267.417	1.413	1	2	6	CCN1CC[C@@H](N(CC)C[C@@H]2CCC[N@H+]2CC)C1=O
168364986	ZINC000021819985	ref	7.86	-2.46	0	246.181	4.842	1	1	5	CCC(CC)CNc1ccc(Cl)c(Cl)c1
365621192	ZINC000625027034	ref	5.98	-12.24	0	308.344	2.338	1	2	4	CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@@H](C)C(F)(F)F)C1
342081991	ZINC000625330786	high	3.89	-7.84	0	267.417	1.413	0	3	6	CCN1CC[C@@H](N(CC)C[C@@H]2CCCN2CC)C1=O
342081992	ZINC000625330780	ref	5.89	-43.33	1	293.415	1.115	1	5	6	CCN(Cc1nnc2n1CCOC2)C[C@@H]1CCC[N@@H+]1CC
342081993	ZINC000625330780	mid	5.66	-45.64	1	293.415	1.115	1	5	6	CCN(Cc1nnc2n1CCOC2)C[C@@H]1CCC[N@H+]1CC
168364991	ZINC000353036759	ref	6.32	-4.08	0	236.359	3.119	1	3	8	CCC(CC)CNc1cc(CCOC)ccn1
342081994	ZINC000625330853	ref	8.87	-43.67	1	250.346	1.34	1	4	6	CCO[C@H](C[N@@H+]1CC[C@H](n2cncn2)C1)C1CC1
342081995	ZINC000625330853	mid	8.93	-45.63	1	250.346	1.34	1	4	6	CCO[C@H](C[N@H+]1CC[C@H](n2cncn2)C1)C1CC1
412491623	ZINC000349508533	ref	-2.02	-10.73	0	305.356	0.039	2	7	6	COCC[C@]1(NS(=O)(=O)c2c(N)noc2C)CCOC1
168364997	ZINC000353036759	mid	6.96	-29.66	1	236.359	3.119	1	2	8	CCC(CC)CNc1cc(CCOC)cc[nH+]1
398246024	ZINC000650859879	ref	2.16	-11.37	0	296.342	1.572	3	3	6	O=C(NC[C@@H]1CCOc2ccccc21)N[C@H](CO)CCF
342081996	ZINC000625330356	ref	6.08	-15.78	0	284.4	1.566	1	3	8	CCO[C@@H](C(=O)NCCCN1CCCCC1=O)C(C)C
168365001	ZINC000036964008	ref	7.57	-5.88	0	236.746	4.06	1	2	5	CCC(CC)CNc1ccc(C#N)c(Cl)c1
168365008	ZINC000161192010	ref	5.67	-32.62	1	212.362	3.23	1	2	6	CCC(CC)C[NH2+][C@H](C)c1cscn1
178291158	ZINC000015151400	ref	2.94	-6.01	0	248.322	2.859	2	3	0	Cc1cc2c(cc1O)[C@@]1(C)CC[C@@](O)(O2)C1(C)C
365621187	ZINC000617371206	ref	2.1	-11.86	0	253.302	0.581	2	4	5	COC[C@@H](NC(=O)c1cnc[nH]1)C1CCOCC1
168364981	ZINC000082694696	low	5.0	-100.17	2	193.225	1.363	1	1	2	C[C@@H]([NH3+])Cc1cn2cc(F)ccc2[nH+]1
342081997	ZINC000625330056	ref	5.01	-46.27	1	266.393	1.077	1	5	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)c1nnnn1C
178291170	ZINC000183093478	ref	5.98	-6.89	0	244.294	2.674	1	4	3	Cc1cc2c(cc1NCc1cccn1C)OCO2
168364984	ZINC000006036872	ref	4.65	-32.84	1	169.655	2.23	1	0	2	C[C@@H]([NH3+])Cc1ccccc1Cl
398246027	ZINC000651452578	ref	7.96	-7.05	0	250.386	3.007	1	1	1	C[C@H]1C[C@@H](C)CN(C(=O)NC2CC3(CCC3)C2)C1
398246033	ZINC000651452093	ref	7.79	-42.55	1	274.408	3.47	1	2	4	CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2cccnc2)C1
365621194	ZINC000617368141	ref	1.35	-18.37	0	286.372	0.461	2	4	8	CNC(=O)CCCC(=O)N[C@H](COC)C1CCOCC1
136228522	ZINC000283248856	ref	3.34	-19.93	0	213.302	0.378	0	2	0	CC#CC(=O)N1CC[S@](=O)[C@@H](C)[C@H]1C
342081998	ZINC000625330056	mid	5.72	-42.19	1	266.393	1.077	1	5	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)c1nnnn1C
342081999	ZINC000625330994	ref	-0.05	-12.11	0	299.377	1.415	1	6	6	CCOc1ccc(S(=O)(=O)NCc2ccns2)cn1
342082000	ZINC000625330600	ref	6.01	-30.93	1	284.444	1.988	1	3	9	CCN(CCOC[C@@H]1CCCO1)C[C@@H]1CCC[N@@H+]1CC
342082001	ZINC000625330600	mid	5.92	-30.94	1	284.444	1.988	1	3	9	CCN(CCOC[C@@H]1CCCO1)C[C@@H]1CCC[N@H+]1CC
398246039	ZINC000651448383	ref	4.31	-7.57	0	279.29	3.173	0	4	2	C[C@@H]1CN(c2nnc(C(F)F)o2)CCc2ccccc21
365621200	ZINC000617369161	ref	3.83	-11.01	0	267.329	0.591	1	5	5	COC[C@H](NC(=O)c1cn(C)cn1)C1CCOCC1
398246043	ZINC000651448511	ref	4.44	-7.07	0	271.364	3.359	0	4	2	CC(C)c1nnc(N2CCc3ccccc3[C@@H](C)C2)o1
168364988	ZINC000095930133	ref	0.71	-46.81	1	188.271	0.393	2	3	3	C[C@@H]([NH3+])C[C@@H](N)C(=O)OC(C)(C)C
168364990	ZINC000095930133	low	1.04	-117.14	2	188.271	0.393	2	2	3	C[C@@H]([NH3+])C[C@@H]([NH3+])C(=O)OC(C)(C)C
398246049	ZINC000651447941	ref	8.18	-5.2	0	273.405	3.267	0	4	2	CCc1nsc(N2CCc3ccccc3[C@@H](C)C2)n1
398246058	ZINC000651445248	ref	4.7	-9.49	0	285.347	3.308	0	5	3	CC1(C)C[C@@H](c2noc(/C=C\c3cccnc3)n2)CCO1
398246062	ZINC000651447656	ref	8.71	-12.54	0	290.37	3.191	0	4	1	C[C@@H]1CN(c2ccc3nccnc3n2)CCc2ccccc21
168364993	ZINC000071424357	ref	4.71	-54.73	1	198.197	1.624	1	2	3	C[C@@H]([NH3+])Cc1ccc(F)c([N+](=O)[O-])c1
168364995	ZINC000000164441	ref	0.3	-39.07	1	152.197	0.808	1	2	3	C[C@@H]([NH3+])COc1ccccn1
342082002	ZINC000625330600	mid	6.01	-30.93	1	284.444	1.988	1	3	9	CCN1CCC[C@H]1C[N@H+](CC)CCOC[C@@H]1CCCO1
168364983	ZINC000368500159	mid	5.98	-42.96	-1	339.802	3.024	1	4	7	CCC[C@@H](C)CC(=O)N[C@H](c1ccc(Cl)c(F)c1)c1nn[n-]n1
342082003	ZINC000625330600	mid	5.92	-30.94	1	284.444	1.988	1	3	9	CCN1CCC[C@H]1C[N@@H+](CC)CCOC[C@@H]1CCCO1
214189339	ZINC000053558525	ref	6.5	-12.71	0	343.836	2.078	1	6	4	COC(=O)c1sc(N2CCC(NC(=O)C3CC3)CC2)nc1Cl
342082004	ZINC000625330603	ref	5.93	-29.9	1	284.444	1.988	1	3	9	CCN(CCOC[C@H]1CCCO1)C[C@@H]1CCC[N@@H+]1CC
168364985	ZINC000368500159	mid	6.0	-10.83	0	339.802	3.024	2	4	7	CCC[C@@H](C)CC(=O)N[C@H](c1ccc(Cl)c(F)c1)c1nn[nH]n1
214189342	ZINC000053577226	ref	11.46	-11.38	0	342.406	3.38	0	6	5	c1ccc(-n2ncc3c(N(Cc4cccnc4)C4CC4)ncnc32)cc1
342082005	ZINC000625330603	mid	5.91	-30.18	1	284.444	1.988	1	3	9	CCN(CCOC[C@H]1CCCO1)C[C@@H]1CCC[N@H+]1CC
214189345	ZINC000053577226	low	11.95	-35.68	1	342.406	3.38	0	5	5	c1ccc(-n2ncc3c(N(Cc4cccnc4)C4CC4)[nH+]cnc32)cc1
342082006	ZINC000625330603	mid	5.93	-29.9	1	284.444	1.988	1	3	9	CCN1CCC[C@H]1C[N@H+](CC)CCOC[C@H]1CCCO1
342082007	ZINC000625330603	mid	5.91	-30.18	1	284.444	1.988	1	3	9	CCN1CCC[C@H]1C[N@@H+](CC)CCOC[C@H]1CCCO1
214189347	ZINC000053565219	ref	0.75	-13.23	0	336.392	0.103	2	5	4	Cc1ccc([C@H](CNC(=O)N2CCNC(=O)C2)N2CCOCC2)o1
342082008	ZINC000625330288	ref	2.32	-9.97	0	264.391	1.12	1	3	9	CCC[C@H](CNS(=O)(=O)N(C)C1CC1)OCC
342082009	ZINC000625327913	ref	4.31	-12.63	0	285.29	1.885	1	3	6	COC1CC(C(=O)NCCOc2ccc(F)cc2F)C1
342082010	ZINC000625328065	ref	7.01	-41.97	1	284.363	1.489	1	4	3	Cn1cc(CC[N@@H+]2CC[C@]3(C2)OCc2ccccc23)nn1
365621188	ZINC000121829024	ref	5.57	-8.95	0	288.395	2.148	2	3	5	CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCN(c2ccccn2)C1
342082011	ZINC000625328065	mid	7.03	-44.35	1	284.363	1.489	1	4	3	Cn1cc(CC[N@H+]2CC[C@]3(C2)OCc2ccccc23)nn1
342082012	ZINC000625328065	high	4.57	-12.12	0	284.363	1.489	0	5	3	Cn1cc(CCN2CC[C@]3(C2)OCc2ccccc23)nn1
365621193	ZINC000121829024	low	5.64	-36.18	1	288.395	2.148	2	2	5	CCC[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1
295666492	ZINC000447894928	ref	10.1	-8.24	0	304.459	3.382	0	2	1	CS[C@H]1CCCCN(C(=O)N2CCc3ccccc3C2)C1
323004212	ZINC000126711139	low	8.66	-75.08	1	241.316	0.385	1	4	4	O=C([O-])[C@H]1CSCC[N@@H+]1CCn1cc[nH+]c1
342597724	ZINC000590804393	ref	3.87	-11.23	0	278.4	1.852	2	3	4	C[C@H](NC(=O)NC1CCN(CC#N)CC1)C1CCCC1
342597725	ZINC000590800108	ref	7.52	-49.28	1	290.323	1.763	2	3	2	C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21
342597726	ZINC000590800108	mid	7.59	-49.05	1	290.323	1.763	2	3	2	C[N@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21
365621190	ZINC000336541039	ref	2.75	-15.71	0	289.36	2.285	2	4	1	O=C(Nc1ccc2ncsc2c1)N1C[C@@H](O)C2(CC2)C1
365621195	ZINC000336541067	ref	8.01	-15.26	0	293.432	2.297	0	2	3	Cc1cccc(CCC(=O)N2CC[C@@H](C)[S@@](=O)CC2)c1
342597727	ZINC000590800108	high	5.34	-10.61	0	290.323	1.763	1	4	2	CN1CC[C@@H]2CN(C(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21
342597728	ZINC000590800559	ref	4.34	-18.35	0	265.357	1.937	2	3	5	N#CC[C@@H]1CC[C@H](NC(=O)NCC[C@H]2CCCO2)C1
342597729	ZINC000616981867	ref	3.2	-16.27	0	295.383	1.402	2	3	4	CC[C@H](C)N(CC)C(=O)C1CCC2(CC1)NC(=O)NC2=O
342597730	ZINC000590812924	ref	4.39	-48.76	1	277.368	1.698	2	2	3	Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c(=O)[nH]1
342597731	ZINC000616982354	ref	6.34	-44.38	1	271.405	1.09	1	3	8	CC[C@@H](C)N(CC)C(=O)CN(C)CC(=O)NC(C)C
342597732	ZINC000616982354	low	6.34	-44.49	1	271.405	1.09	2	2	8	CC[C@@H](C)N(CC)C(=O)C[N@H+](C)CC(=O)NC(C)C
365621203	ZINC000336541707	ref	5.58	-22.63	0	293.379	2.181	0	2	1	C[C@@H]1CC[S@@](=O)CCN1C(=O)C1CCC(F)(F)CC1
178291169	ZINC000236971046	ref	3.28	-49.86	1	356.264	1.669	3	2	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1
365621207	ZINC000336541611	ref	7.76	-19.14	0	293.432	2.161	0	2	3	CCc1cccc(CC(=O)N2CC[C@@H](C)[S@](=O)CC2)c1
197596038	ZINC000162838355	ref	7.98	-21.66	0	322.166	2.024	1	5	2	O=C(Nc1nnc2n1CCCC2)c1ccncc1Br
342597733	ZINC000616982354	low	6.34	-44.38	1	271.405	1.09	2	2	8	CC[C@@H](C)N(CC)C(=O)C[N@@H+](C)CC(=O)NC(C)C
259308677	ZINC000306095698	ref	8.84	-4.76	0	243.375	4.003	1	2	2	C[C@H]1CSC[C@@H]1Nc1cccc2ccccc12
197596045	ZINC000162836976	ref	10.3	-9.25	0	302.422	2.486	0	4	3	CC1(CC(=O)N2CCN(c3ncccn3)CC2)CCCCC1
342597734	ZINC000590804279	ref	3.08	-11.25	0	264.373	1.486	2	3	5	C=CC(C)(C)CNC(=O)NC1CCN(CC#N)CC1
342597735	ZINC000590800188	ref	3.73	-9.72	0	283.259	1.721	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)Nc1ccc([N+](=O)[O-])cc1F
342597736	ZINC000616981868	ref	3.1	-16.03	0	295.383	1.402	2	3	4	CC[C@@H](C)N(CC)C(=O)C1CCC2(CC1)NC(=O)NC2=O
342597737	ZINC000616982296	ref	6.78	-14.4	0	272.414	1.945	0	3	5	CCC(=O)N1CSC[C@H]1C(=O)N(CC)[C@@H](C)CC
365621197	ZINC000121822027	ref	5.82	-9.49	0	264.373	2.059	1	3	2	Cc1c(CNC(=O)N2CC[C@H](C)C[C@@H]2C)cnn1C
365621205	ZINC000121825243	ref	8.95	-9.41	0	279.274	2.456	0	4	2	N#Cc1ccc(F)cc1Cn1cnc2ccccc2c1=O
365621211	ZINC000121826351	ref	6.75	-15.44	0	280.412	2.474	1	2	5	CC(=O)N1CCC[C@H]1C(=O)NCCCC1CCCCC1
365621219	ZINC000121826673	ref	3.31	-5.97	0	263.234	2.107	1	2	2	O[C@@H](CN1CCc2c(F)cccc2C1)C(F)(F)F
136228523	ZINC000282819192	ref	0.02	-13.98	0	235.239	0.126	3	4	3	COc1cccc(C(=O)NCC#CCO)c1O
365621226	ZINC000121826673	low	5.53	-45.84	1	263.234	2.107	2	1	2	O[C@@H](C[N@@H+]1CCc2c(F)cccc2C1)C(F)(F)F
365621231	ZINC000121826673	low	5.49	-45.56	1	263.234	2.107	2	1	2	O[C@@H](C[N@H+]1CCc2c(F)cccc2C1)C(F)(F)F
365621238	ZINC000121822774	ref	7.75	-41.96	1	296.411	2.399	2	2	5	C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCCS2)cc1F
365621243	ZINC000121822774	mid	5.43	-8.98	0	296.411	2.399	1	3	5	CN(C)Cc1ccc(CNC(=O)[C@@H]2CCCS2)cc1F
365621248	ZINC000121825305	ref	5.25	-14.25	0	298.342	2.389	1	4	3	Cc1ccc(O)c(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1
365621254	ZINC000121825305	low	5.7	-43.64	1	298.342	2.389	1	3	3	Cc1ccc(O)c(C(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)c1
178291173	ZINC000236971046	high	2.99	-10.03	0	356.264	1.669	3	3	7	CC[C@@H](C)[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1
349535583	ZINC000618814647	ref	5.02	-13.37	0	266.251	1.365	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(F)cc1F
365621258	ZINC000121825305	high	6.2	-60.71	-1	298.342	2.389	0	4	3	Cc1ccc([O-])c(C(=O)N2CC[C@@H](Oc3ccncc3)C2)c1
365638744	ZINC000625083815	ref	4.71	-20.23	0	303.284	2.115	2	3	6	C[C@H](CC(=O)NCCC(=O)Nc1ccccn1)C(F)(F)F
365638749	ZINC000625085262	ref	5.05	-12.83	0	308.451	2.009	0	5	3	C[C@@H]1CCCN(C(=O)C2CCN(Cc3cnns3)CC2)C1
178291175	ZINC000236972617	ref	3.18	-52.19	1	353.488	1.605	2	3	7	CCC[C@@H]([NH3+])C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
365638751	ZINC000625085262	low	7.41	-56.87	1	308.451	2.009	1	4	3	C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cnns3)CC2)C1
365638755	ZINC000625086503	ref	2.41	-23.05	0	315.354	2.445	2	4	3	Cc1cc(S(=O)(=O)Nc2ccc[nH]c2=O)c2ncccc2c1
365638759	ZINC000625084433	ref	8.34	-34.39	1	319.493	2.48	1	2	3	O=C1[C@@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1C1CCCCC1
365638764	ZINC000625083793	ref	6.97	-12.47	0	317.307	2.117	0	3	6	COCCN(CC(F)F)C(=O)[C@@H]1COc2cc(F)ccc2C1
365621199	ZINC000274310827	ref	2.11	-15.63	0	258.285	1.399	3	4	2	O=C(Nc1cncnc1)N[C@H]1CCCc2c[nH]nc21
365621202	ZINC000274310827	mid	2.02	-13.05	0	258.285	1.399	3	4	2	O=C(Nc1cncnc1)N[C@H]1CCCc2cn[nH]c21
178291179	ZINC000236972617	high	2.84	-13.14	0	353.488	1.605	2	4	7	CCC[C@@H](N)C(=O)NCc1cccc(S(=O)(=O)N2CCCCC2)c1
365621208	ZINC000274313469	ref	2.6	-10.98	0	294.336	1.223	1	8	5	Oc1ccc(-n2nnnc2SCCC2OCCO2)cc1
365621215	ZINC000274312643	ref	3.6	-11.44	0	290.363	1.308	2	3	4	C[C@H]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@@H]1C
365621220	ZINC000274312647	ref	3.49	-11.4	0	290.363	1.308	2	3	4	C[C@@H]1CCN(C(=O)CNC(=O)Cc2ccc(O)cc2)[C@@H]1C
365621225	ZINC000274311665	ref	2.0	-8.33	0	296.346	1.139	2	4	3	C[C@H]1CN(C(=O)Nc2cccc(F)n2)CCN1C[C@@H](C)O
365621232	ZINC000274311665	mid	3.95	-44.54	1	296.346	1.139	3	3	3	C[C@H]1CN(C(=O)Nc2cccc(F)n2)CC[N@H+]1C[C@@H](C)O
365621235	ZINC000274311665	mid	4.12	-43.05	1	296.346	1.139	3	3	3	C[C@H]1CN(C(=O)Nc2cccc(F)n2)CC[N@@H+]1C[C@@H](C)O
365621240	ZINC000274312251	ref	4.22	-14.41	0	279.34	1.879	1	4	6	CCOC(=O)NCCCC(=O)N(C)c1ccnc(C)c1
365621247	ZINC000353180629	ref	3.29	-39.82	1	256.371	1.735	1	4	5	CCO[C@@H]1COCC[C@H]1[NH2+]Cc1cnc(C)s1
365621252	ZINC000353180629	high	2.03	-5.49	0	256.371	1.735	1	5	5	CCO[C@@H]1COCC[C@H]1NCc1cnc(C)s1
342597738	ZINC000590800278	ref	7.38	-15.35	0	295.295	1.005	1	6	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])cn1C
365621257	ZINC000274310686	ref	5.18	-7.19	0	298.346	1.855	2	4	4	CCc1ccc([C@H](C)NC(=O)C(=O)Nc2cncnc2)cc1
365621263	ZINC000274309533	ref	4.6	-6.41	0	262.313	1.064	1	4	1	C[C@@H]1CCCN(C(=O)C(=O)Nc2cncnc2)CC1
342597739	ZINC000590800558	ref	4.36	-18.1	0	265.357	1.937	2	3	5	N#CC[C@@H]1CC[C@H](NC(=O)NCC[C@@H]2CCCO2)C1
365621267	ZINC000274313606	ref	4.75	-34.47	1	267.348	1.373	1	3	5	COCC[N@@H+]1CCN(Cc2cncc(F)c2)C[C@H]1C
365621269	ZINC000274313606	mid	4.21	-33.24	1	267.348	1.373	1	3	5	COCC[N@H+]1CCN(Cc2cncc(F)c2)C[C@H]1C
178291182	ZINC000236964860	ref	3.8	-53.0	1	355.504	1.707	2	3	9	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)cc1
365621273	ZINC000274313606	mid	2.23	-3.98	0	267.348	1.373	0	4	5	COCCN1CCN(Cc2cncc(F)c2)C[C@H]1C
342597740	ZINC000590804098	ref	4.26	-11.27	0	276.384	1.32	2	3	5	N#CCN1CCC(NC(=O)NC[C@@H]2C[C@H]2C2CC2)CC1
342597741	ZINC000590802287	ref	5.23	-16.1	0	292.383	1.836	1	4	4	Cn1cc([C@H]2CCCN2C(=O)NCC[C@H]2CCCO2)cn1
365621201	ZINC000354677685	ref	7.31	-23.88	0	268.28	1.091	1	6	4	O=C(CCc1cnccn1)Nc1nnc2ccccn12
365621210	ZINC000354678017	ref	3.0	-16.8	0	281.377	1.185	1	3	4	CO[C@](C)(C(=O)N[C@H]1CC[S@@](=O)C1)c1ccccc1
365621216	ZINC000354676206	ref	6.41	-12.12	0	259.284	1.977	1	3	4	C[C@@H](Cc1ccccc1F)NC(=O)c1cncnc1
365621224	ZINC000354679057	ref	2.57	-13.94	0	279.292	1.538	2	5	4	COC(=O)[C@H]1CC[C@@H]1C(=O)Nc1cc(O)cc(OC)c1
365621230	ZINC000354677527	ref	5.82	-13.0	0	267.292	1.363	1	5	3	Cc1ccn2cc(CNC(=O)c3cncnc3)nc2c1
365621236	ZINC000354677527	low	6.26	-35.97	1	267.292	1.363	1	4	3	Cc1ccn2cc(CNC(=O)c3cncnc3)[nH+]c2c1
365621241	ZINC000354676027	ref	3.4	-47.72	1	295.77	1.537	3	2	5	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1
365621246	ZINC000354675819	ref	7.73	-10.49	0	299.367	1.376	0	5	4	COC(=O)[C@@H](C)CC(=O)N1CC[C@H](C(=O)OC(C)(C)C)C1
365621253	ZINC000354676125	ref	2.2	-14.85	0	279.369	1.227	2	5	5	Cc1csc(CNC(=O)NCCc2ccn(C)n2)n1
365621261	ZINC000575443941	ref	4.71	-9.66	0	294.38	1.79	1	6	7	CSCC[C@@H](C(=O)NCc1nc(C)no1)n1cccc1
178291184	ZINC000236964860	high	3.14	-11.56	0	355.504	1.707	2	4	9	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CC(C)C)cc1
365621275	ZINC000354676126	ref	3.47	-14.77	0	256.375	1.015	2	4	7	CSCCCNC(=O)NCCc1ccn(C)n1
178291187	ZINC000236976018	ref	5.17	-40.36	1	364.515	1.816	2	4	6	CCCc1ncc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1
178291191	ZINC000236983532	ref	7.44	-92.95	2	364.465	1.133	3	3	5	CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2C[NH2+]CCO2)CC1
178291193	ZINC000236983532	mid	6.09	-37.91	1	364.465	1.133	3	4	5	CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CNCCO2)CC1
365621279	ZINC000354677302	ref	3.32	-14.7	0	296.318	1.515	2	4	6	Cn1cc(CNC(=O)NCCSCC(F)(F)F)cn1
398246031	ZINC000650858962	ref	3.66	-8.95	0	282.384	1.359	2	3	6	O=C(NCCOCC1CC1)N1CCC(C2(O)CC2)CC1
214189340	ZINC000278492529	ref	6.1	-14.82	0	316.405	2.8	2	4	6	COc1cc(C)c(NC(=O)NCCCc2cnn(C)c2)cc1C
365621283	ZINC000354675933	ref	5.42	-15.09	0	297.443	1.626	1	3	8	CCCN(CCC)C(=O)CN1CCC[C@H](NC(=O)CC)C1
365621285	ZINC000354675933	mid	7.55	-47.21	1	297.443	1.626	2	2	8	CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H](NC(=O)CC)C1
365621288	ZINC000354675933	mid	8.09	-46.74	1	297.443	1.626	2	2	8	CCCN(CCC)C(=O)C[N@H+]1CCC[C@H](NC(=O)CC)C1
214189341	ZINC000278492889	ref	2.47	-28.1	0	320.353	1.184	3	7	6	CCn1nnnc1-c1cccc(NC(=O)NOCC(C)(C)O)c1
214189343	ZINC000278492889	high	1.13	-65.93	-1	320.353	1.184	2	8	6	CCn1nnnc1-c1cccc(NC([O-])=NOCC(C)(C)O)c1
398246032	ZINC000179907718	high	6.68	-3.88	0	238.375	3.615	1	3	6	CC(C)CC[C@H](NCc1ccon1)C(C)(C)C
214189344	ZINC000278492889	high	1.83	-62.79	-1	320.353	1.184	2	7	6	CCn1nnnc1-c1cccc(NC(=O)[N-]OCC(C)(C)O)c1
342082013	ZINC000625330141	ref	4.2	-8.95	0	297.362	1.622	1	5	4	O=C(N[C@H]1CCN(c2ccccc2)C1)c1cn(C2CC2)nn1
214189346	ZINC000278493941	ref	7.69	-14.48	0	313.397	3.11	2	3	7	CCc1cccc(C)c1NC(=O)COc1ccccc1CCO
214189348	ZINC000278492009	ref	7.18	-42.79	1	308.319	3.429	1	2	10	CCC[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1cccnc1
342082014	ZINC000625330800	ref	5.71	-32.62	1	265.405	1.673	2	3	7	CCc1nnc(CN(CC)C[C@H]2CCC[N@@H+]2CC)[nH]1
398246034	ZINC000179906171	ref	7.58	-4.86	0	244.363	3.44	0	3	4	CN(C)c1ccccc1CSc1ccncc1
342082015	ZINC000625330800	mid	6.0	-35.51	1	265.405	1.673	2	3	7	CCc1nnc(CN(CC)C[C@H]2CCC[N@H+]2CC)[nH]1
342082016	ZINC000625330800	mid	5.71	-32.62	1	265.405	1.673	2	3	7	CCc1nc(CN(CC)C[C@H]2CCC[N@@H+]2CC)n[nH]1
214189349	ZINC000278492009	high	5.85	-10.02	0	308.319	3.429	1	3	10	CCC[C@H](NCCOCC(F)(F)C(F)F)c1cccnc1
214189351	ZINC000278493685	ref	2.73	-10.09	0	318.339	1.589	2	3	7	C[C@@H](C(=O)NC[C@@H](O)Cc1ccccc1)N(C)CC(F)(F)F
342082017	ZINC000625330800	mid	6.0	-35.51	1	265.405	1.673	2	3	7	CCc1nc(CN(CC)C[C@H]2CCC[N@H+]2CC)n[nH]1
214189353	ZINC000278492442	ref	4.42	-18.26	0	317.389	2.213	2	5	7	CC[C@@H](O)c1nccn1CC(=O)N[C@@H](C)c1ccccc1OC
214189355	ZINC000278493572	ref	9.53	-13.03	0	322.357	2.925	0	6	6	COc1cc(C(C)=O)ccc1OC(=O)CCC(=O)OC(C)(C)C
214189357	ZINC000278491969	ref	10.75	-48.7	1	324.472	3.233	1	3	4	Cc1cc(N2CCC[C@H]([NH2+]C3CC(c4ccccc4)C3)C2)n(C)n1
342082018	ZINC000625330854	ref	9.06	-45.7	1	250.346	1.34	1	4	6	CCO[C@@H](C[N@@H+]1CC[C@H](n2cncn2)C1)C1CC1
192038075	ZINC000418465558	ref	-0.29	-36.84	1	241.335	0.35	4	2	7	C/C=C/C[C@H](CO)NC(=O)N[C@H](C[NH3+])C1CC1
214189359	ZINC000278493739	ref	7.16	-7.15	0	308.447	2.851	1	4	7	COCCSCCCN1C[C@H](C)C(=O)Nc2ccccc21
342082019	ZINC000625330854	mid	9.19	-43.99	1	250.346	1.34	1	4	6	CCO[C@@H](C[N@H+]1CC[C@H](n2cncn2)C1)C1CC1
342082020	ZINC000625330512	ref	1.53	-12.88	0	291.38	1.715	1	6	3	CC(C)c1nnc(CN2CCc3n[nH]c(=O)cc3C2)s1
412491625	ZINC000349508533	mid	-1.3	-36.44	-1	305.356	0.039	1	7	6	COCC[C@]1([N-]S(=O)(=O)c2c(N)noc2C)CCOC1
365621209	ZINC000625024472	ref	6.89	-16.9	0	315.2	2.273	1	2	3	CNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(Cl)cc(Cl)c1
365621214	ZINC000625027080	ref	3.2	-14.0	0	320.361	2.002	0	4	5	C[C@H]1CN(S(=O)(=O)c2cccnc2OCC(F)F)C[C@@H]1C
365621218	ZINC000625026568	ref	2.15	-11.09	0	321.389	2.35	2	3	8	CCC[C@H](CCO)CNS(=O)(=O)c1ccc(C)c(F)c1F
299072340	ZINC000358087632	high	5.45	-14.06	0	315.299	1.892	1	6	7	C[C@H](NCCOCC(F)(F)F)c1ccc(-n2cnnn2)cc1
178291195	ZINC000236983532	high	3.72	-9.33	0	364.465	1.133	2	5	5	CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CNCCO2)CC1
365621222	ZINC000625026568	high	2.64	-46.41	-1	321.389	2.35	1	3	8	CCC[C@H](CCO)C[N-]S(=O)(=O)c1ccc(C)c(F)c1F
178291198	ZINC000236971779	ref	4.9	-59.81	1	350.488	1.729	2	4	9	CCn1nc(C)c(C[NH2+]CCS(=O)(=O)NCc2ccccc2)c1C
282120042	ZINC000533439312	ref	7.99	-48.51	1	299.378	1.96	2	4	7	C[N@H+](CCCn1c(=O)[nH]c2ccccc21)CCn1cccn1
282120046	ZINC000533439312	mid	7.99	-48.84	1	299.378	1.96	2	4	7	C[N@@H+](CCCn1c(=O)[nH]c2ccccc21)CCn1cccn1
136228524	ZINC000282819192	high	1.1	-59.47	-1	235.239	0.126	2	4	3	COc1cccc(C(=O)NCC#CCO)c1[O-]
398246036	ZINC000650439464	ref	-0.16	-9.64	0	248.229	1.848	1	4	6	CCOc1nc(C(=O)NCCC(C)(F)F)co1
136228525	ZINC000283246946	ref	5.77	-7.47	0	241.743	2.472	1	2	3	C#CC(C)(C)NC(=O)Cc1ccc(Cl)s1
290622972	ZINC000333976290	ref	8.04	-13.94	0	290.411	2.171	1	4	2	C[C@H]1CC[C@@](C)(C(=O)N[C@H]2CCc3ncnn3C2)C1(C)C
365621228	ZINC000625025920	ref	5.02	-15.47	0	301.346	2.093	1	5	4	COc1cccc2c1OCC[C@H]2NC(=O)[C@@H](C)n1cccn1
365621234	ZINC000625027354	ref	4.43	-10.49	0	301.383	2.233	1	3	8	CO[C@H](CS(=O)(=O)NCCC1CC1)c1ccc(F)cc1
365621242	ZINC000625027237	ref	6.9	-20.43	0	303.406	2.032	1	2	2	C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365621249	ZINC000625024929	ref	7.3	-17.76	0	307.438	2.36	1	2	3	CC[C@@H]1CC[C@@H](C)N(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365621255	ZINC000625025056	ref	2.18	-8.88	0	315.426	2.384	2	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](CCO)C(C)C
192038077	ZINC000418464251	ref	2.05	-46.54	1	242.367	0.332	3	1	6	CCC[NH2+]CCNC(=O)N1CC[C@H]([NH+](C)C)C1
365621264	ZINC000625025053	ref	2.16	-8.99	0	315.426	2.384	2	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](CCO)C(C)C
365621268	ZINC000625025503	ref	6.19	-45.05	1	304.381	2.039	1	3	5	C[C@H]1CN(CCNC(=O)CC2CCC(F)(F)CC2)CCO1
214189350	ZINC000053559031	ref	6.8	-14.59	0	338.415	1.924	1	7	5	C[C@@H](CNc1ccc2nnc(-c3ccccc3)n2n1)N1CCOCC1
214189352	ZINC000053559031	low	8.92	-56.68	1	338.415	1.924	2	6	5	C[C@@H](CNc1ccc2nnc(-c3ccccc3)n2n1)[NH+]1CCOCC1
214189354	ZINC000053565896	ref	9.3	-23.72	0	348.378	3.693	1	5	5	Cc1cccc(NC(=O)Cn2c(SC(F)F)nc3ccccc32)n1
365621206	ZINC000617367936	ref	2.82	-11.3	0	257.33	0.723	1	4	5	COC[C@@H](NC(=O)[C@H]1CCCO1)C1CCOCC1
214189356	ZINC000053580011	ref	8.84	-51.9	1	349.5	2.866	3	3	5	CC1CC[NH+](CCCNC(=S)Nc2ccc3c(c2)OCCO3)CC1
214189358	ZINC000053556962	ref	4.03	-26.65	0	329.381	1.767	2	4	5	O=C(NCCS(=O)(=O)c1ccccc1)c1ccc2[nH]cnc2c1
214189360	ZINC000053565420	ref	7.97	-18.5	0	325.434	2.447	1	5	5	Cc1cc(NC(=O)CSCC(=O)N2CCCCCCC2)no1
342597742	ZINC000616981566	ref	5.13	-16.32	0	292.343	1.434	1	6	7	CC[C@@H](C)N(CC)C(=O)CCc1nc(-c2nc[nH]n2)no1
342597743	ZINC000616982285	ref	4.1	-9.57	0	263.341	1.702	1	3	5	CC[C@@H](C)N(CC)C(=O)c1ccc(C(=O)NC)nc1
342597744	ZINC000616981611	ref	7.51	-16.8	0	276.344	1.056	1	6	5	CC[C@H](C)N(CC)C(=O)Cn1cnc2c(N)ncnc21
214189362	ZINC000053567782	ref	8.55	-40.36	1	332.669	4.402	1	1	5	C[C@@H](C[NH2+]C1CCCC1)Oc1ccc(Cl)cc1Br
214189364	ZINC000053557599	ref	3.45	-20.07	0	338.429	0.835	1	4	5	CC(=O)N1CCC[C@H](C(=O)NCCS(=O)(=O)c2ccccc2)C1
214189367	ZINC000053573300	ref	7.53	-11.65	0	332.407	4.302	1	5	5	Cc1cc(C)n(Cc2cccc(CNc3nc4ccccc4o3)c2)n1
342597745	ZINC000590801505	ref	3.91	-15.94	0	292.383	1.427	3	3	5	N#CC[C@@H]1CC[C@H](NC(=O)NCC(=O)NC2CCCC2)C1
214189370	ZINC000053583073	ref	9.31	-6.88	0	327.281	3.96	1	4	2	Fc1ccc2c(c1)[C@@H](Nc1nccc(C(F)(F)F)n1)CCCO2
214189372	ZINC000053566133	ref	8.26	-42.59	1	326.259	4.068	1	2	6	C[C@H](C[NH2+]Cc1cccs1)Oc1ccc(Br)cc1
214189374	ZINC000053554916	ref	3.64	-15.59	0	338.477	1.142	2	4	6	CC(C)NC(=O)CN1CCN(C(=O)NCCc2cccs2)CC1
295666493	ZINC000187523349	ref	6.1	-14.18	0	284.381	1.373	1	4	2	O=C(NC[C@@H]1CCCS1)N1CCC[C@]12CCOC2=O
214189380	ZINC000053578460	ref	3.7	-28.3	0	348.746	2.398	3	5	6	NC(=O)c1ccc(NCC(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1
342597746	ZINC000590804011	ref	3.67	-10.88	0	276.384	1.774	2	3	4	N#CCN1CCC(NC(=O)NCC2=CCCCC2)CC1
365621213	ZINC000617367073	ref	2.15	-6.95	0	271.357	0.871	2	4	7	C=C[C@](C)(O)CC(=O)N[C@@H](COC)C1CCOCC1
178291201	ZINC000236971779	mid	3.54	-15.09	0	350.488	1.729	2	5	9	CCn1nc(C)c(CNCCS(=O)(=O)NCc2ccccc2)c1C
365621212	ZINC000336541567	ref	7.55	-10.64	0	259.305	2.098	0	3	2	COC(=O)c1cccc(C(=O)N2C[C@@H]3CCC[C@@H]32)c1
178291203	ZINC000236971482	ref	5.97	-60.56	-1	371.231	1.938	2	4	8	CCC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)[O-]
365621217	ZINC000336541627	ref	1.78	-13.08	0	296.367	2.167	0	4	2	C[C@@H]1CN(Cc2nc3ccc(F)cc3o2)CC[S@](=O)C1
365621223	ZINC000336541761	ref	4.24	-11.35	0	255.358	2.026	0	2	2	C[C@H]1CN(Cc2ccccc2F)CC[S@@](=O)C1
178291206	ZINC000236984941	ref	4.65	-62.99	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1
365621227	ZINC000336541761	low	6.56	-51.37	1	255.358	2.026	1	1	2	C[C@H]1C[N@H+](Cc2ccccc2F)CC[S@@](=O)C1
178291210	ZINC000236978686	ref	4.12	-59.97	1	351.472	1.29	1	3	6	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CC[C@H]([NH3+])C2)cc1
349535586	ZINC000618815154	ref	6.61	-11.93	0	278.381	1.858	0	5	6	CN(Cc1cn(C)nn1)C(=O)CCCc1cccs1
178291214	ZINC000236977169	ref	3.41	-50.58	1	359.879	1.918	2	3	6	CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1Cl
178291218	ZINC000236984099	ref	4.94	-55.9	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1
365621233	ZINC000336541761	low	6.61	-49.69	1	255.358	2.026	1	1	2	C[C@H]1C[N@@H+](Cc2ccccc2F)CC[S@@](=O)C1
365621239	ZINC000336541697	ref	4.13	-41.31	1	289.354	2.495	1	3	2	C[N@@H+]1CC[C@@]2(CCN(Cc3nc4cc(F)ccc4o3)C2)C1
178291223	ZINC000236984099	high	3.7	-12.0	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1
365621245	ZINC000336541697	mid	4.14	-41.75	1	289.354	2.495	1	3	2	C[N@H+]1CC[C@@]2(CCN(Cc3nc4cc(F)ccc4o3)C2)C1
365621250	ZINC000336541697	low	6.65	-103.98	2	289.354	2.495	2	2	2	C[N@@H+]1CC[C@@]2(CC[NH+](Cc3nc4cc(F)ccc4o3)C2)C1
136228526	ZINC000230482666	ref	3.38	-16.46	0	219.248	0.314	2	5	1	C[C@@]1(O)CCN(c2ncnc3nc[nH]c23)C1
178291224	ZINC000236969406	ref	4.89	-55.55	1	353.488	1.459	1	3	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1C
349535590	ZINC000618815842	ref	6.84	-25.2	0	288.351	1.379	0	5	6	C[C@@H](OCc1ccccc1)C(=O)N(C)Cc1cn(C)nn1
192038079	ZINC000418464251	high	2.05	-46.54	1	242.367	0.332	2	2	6	CCC[NH2+]CCNC(=O)N1CC[C@H](N(C)C)C1
166172915	ZINC000231669996	mid	5.36	-96.48	2	168.284	1.246	2	0	3	C=CC[N@H+](C)[C@@H]1CCC[NH2+]CC1
282120044	ZINC000449149269	high	5.04	-6.89	0	282.428	2.227	2	3	8	CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)NC2CC2)C1(CC)CC
282120047	ZINC000449149396	ref	7.39	-35.52	1	296.455	2.33	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C
197596037	ZINC000290103460	ref	4.76	-6.92	0	282.771	2.691	1	4	4	COc1cc(Cl)c(NCN2CCC(=O)CC2)cc1C
365621221	ZINC000617368514	ref	2.32	-7.73	0	273.373	0.951	2	4	7	CC[C@H](C)[C@@H](O)C(=O)N[C@H](COC)C1CCOCC1
342082021	ZINC000625330695	ref	2.14	-14.07	0	280.368	1.652	2	4	6	CCN(Cc1cc(=O)c(O)co1)C[C@@H]1CCC[N@@H+]1CC
365621229	ZINC000617368097	ref	1.09	-14.56	0	284.356	0.213	2	4	5	COC[C@@H](NC(=O)[C@@H]1CCCC(=O)N1)C1CCOCC1
342082022	ZINC000625330695	mid	4.3	-46.88	1	280.368	1.652	2	4	6	CCN(Cc1cc(=O)c(O)co1)C[C@@H]1CCC[N@H+]1CC
365621237	ZINC000617369606	ref	-0.19	-53.24	-1	283.328	0.595	2	5	5	COC[C@@H](NC(=O)c1[nH]nc(C)c1[O-])C1CCOCC1
342082023	ZINC000625330695	high	2.14	-14.07	0	280.368	1.652	1	5	6	CCN(Cc1cc(=O)c(O)co1)C[C@@H]1CCCN1CC
365621244	ZINC000617369582	ref	3.32	-7.33	0	279.34	0.956	1	5	5	COC[C@H](NC(=O)c1cc(C)ncn1)C1CCOCC1
398246038	ZINC000650859943	ref	4.11	-11.91	0	292.379	1.965	2	3	5	C[C@@H](CCO)N(C)C(=O)NC[C@@H]1CCOc2ccccc21
365621251	ZINC000617367705	ref	2.13	-17.93	0	272.345	0.07	2	4	7	CCNC(=O)CC(=O)N[C@H](COC)C1CCOCC1
365621259	ZINC000617368566	ref	4.44	-14.03	0	282.344	0.397	1	6	6	COC[C@@H](NC(=O)[C@H](C)n1cncn1)C1CCOCC1
365621265	ZINC000617367516	ref	2.45	-8.89	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@H]1CCO[C@@H]1C)C1CCOCC1
365621271	ZINC000617367526	ref	3.11	-17.91	0	294.351	0.855	2	4	5	COC[C@H](NC(=O)c1c[nH]cc(C)c1=O)C1CCOCC1
168366254	ZINC000082890823	ref	-1.6	-47.08	1	192.218	1.208	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1nc2ccccc2o1
342082024	ZINC000625330944	ref	3.11	-42.16	1	284.425	1.842	3	3	6	Cc1ccsc1[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C
342082025	ZINC000625330944	mid	1.83	-10.95	0	284.425	1.842	3	4	6	Cc1ccsc1[C@H](CO)NCC(=O)NCC(C)(C)C
342082026	ZINC000625330507	ref	0.75	-9.6	0	287.323	1.391	1	6	3	O=c1cc2c(n[nH]1)CCN(Cc1noc(C3CCC3)n1)C2
342082027	ZINC000625330179	ref	2.13	-8.04	0	264.391	1.122	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCCC1)OCC
342082028	ZINC000625330795	ref	-0.01	-7.89	0	287.319	1.692	1	5	4	COc1nc(C(=O)N[C@H]2CCN(c3ccccc3)C2)co1
342082029	ZINC000625330998	ref	1.88	-15.17	0	279.402	1.29	1	4	9	CCC[C@H](CNS(=O)(=O)C[C@@H]1CCCO1)OCC
342082030	ZINC000625330296	ref	1.81	-13.4	0	290.41	1.379	1	5	7	COCC1(CS(=O)(=O)NCc2ccns2)CCC1
365621256	ZINC000336541697	low	6.66	-104.86	2	289.354	2.495	2	2	2	C[N@H+]1CC[C@@]2(CC[NH+](Cc3nc4cc(F)ccc4o3)C2)C1
365621260	ZINC000336541697	low	6.61	-104.63	2	289.354	2.495	2	2	2	C[NH+]1CC[C@@]2(CC[N@H+](Cc3nc4cc(F)ccc4o3)C2)C1
136228527	ZINC000230482666	mid	3.62	-12.67	0	219.248	0.314	2	5	1	C[C@@]1(O)CCN(c2ncnc3[nH]cnc23)C1
136228528	ZINC000134434772	ref	4.38	-12.75	0	237.303	1.109	1	3	1	C[C@H]1OCC[C@H]1NC(=O)N1CCC(C#N)CC1
342082031	ZINC000625330296	high	1.41	-42.13	-1	290.41	1.379	0	5	7	COCC1(CS(=O)(=O)[N-]Cc2ccns2)CCC1
365621262	ZINC000336541697	low	6.66	-104.86	2	289.354	2.495	2	2	2	C[NH+]1CC[C@@]2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)C1
342082032	ZINC000625330057	ref	4.75	-38.06	1	266.393	1.077	1	5	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)c1nnnn1C
214189361	ZINC000278493737	ref	6.67	-7.4	0	308.447	2.851	1	4	7	COCCSCCCN1C[C@@H](C)C(=O)Nc2ccccc21
214189363	ZINC000278492015	ref	5.33	-14.04	0	319.401	2.399	1	4	5	C[C@@H]1COCC[C@H]1NC(=O)c1cccc(OC[C@H]2CCCO2)c1
342082033	ZINC000625330057	mid	3.7	-45.4	1	266.393	1.077	1	5	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)c1nnnn1C
365621266	ZINC000336541674	ref	9.92	-12.44	0	284.363	2.494	1	4	3	Cc1cc(C(=O)N[C@@H]2CC[C@@H](C)C2)ccc1-n1cncn1
365621272	ZINC000336541382	ref	5.8	-18.83	0	290.388	2.151	1	2	1	C[C@@H]1CC[S@](=O)CCN1C(=O)c1cc2ccccc2[nH]1
365621277	ZINC000336541163	ref	7.38	-10.58	0	273.336	2.039	1	2	3	Cc1ccc(NC(=O)N2CC(=O)N(CC3CC3)C2)cc1
365621280	ZINC000336541752	ref	3.9	-12.45	0	272.801	2.078	0	3	2	C[C@H]1CC[S@@](=O)CCN1Cc1ccc(Cl)cn1
342082034	ZINC000625330198	ref	2.85	-13.6	0	262.4	1.999	1	4	7	CCC(CC)CS(=O)(=O)NCc1ccns1
342082035	ZINC000625330358	ref	1.63	-15.69	0	278.399	1.235	1	5	8	CCOC[C@@H](C)CS(=O)(=O)NCc1ccns1
342082036	ZINC000625330794	ref	-0.02	-8.04	0	287.319	1.692	1	5	4	COc1nc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)co1
365621284	ZINC000336541573	ref	5.83	-11.82	0	265.334	2.159	0	4	2	COC(=O)c1ccc(C(=O)N2C[C@@H]3CCC[C@H]32)s1
398246041	ZINC000036135936	ref	0.88	-44.17	1	229.324	-0.047	2	2	5	CC(C)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)C
432002760	ZINC000103074758	ref	9.27	-46.32	1	320.477	3.281	2	2	9	COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(C)C)C[NH+](C)C
365621286	ZINC000336541762	ref	4.59	-9.65	0	255.358	2.026	0	2	2	C[C@@H]1CN(Cc2ccccc2F)CC[S@](=O)C1
365621289	ZINC000336541762	low	6.42	-49.84	1	255.358	2.026	1	1	2	C[C@@H]1C[N@H+](Cc2ccccc2F)CC[S@](=O)C1
398246045	ZINC000036135936	high	0.58	-6.98	0	229.324	-0.047	2	3	5	CC(C)C[C@@H](N)C(=O)N[C@@H](C)C(=O)N(C)C
197596051	ZINC000162837241	ref	3.48	-20.75	0	313.423	1.755	1	5	6	CCCCn1ncc(NC(=O)C[C@H]2CCS(=O)(=O)C2)c1C
365621270	ZINC000625025503	low	6.15	-44.54	1	304.381	2.039	2	2	5	C[C@H]1C[N@H+](CCNC(=O)CC2CCC(F)(F)CC2)CCO1
365621274	ZINC000625025503	low	6.19	-45.05	1	304.381	2.039	2	2	5	C[C@H]1C[N@@H+](CCNC(=O)CC2CCC(F)(F)CC2)CCO1
365621278	ZINC000625023695	ref	5.34	-16.48	0	306.309	2.117	1	3	2	CNC(=O)[C@H]1CCCN1C(=O)c1csc(C(F)(F)F)c1
365621281	ZINC000625024109	ref	6.29	-20.66	0	313.401	2.127	2	2	3	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N[C@@H]1CCc2ccccc21
365621287	ZINC000625027005	ref	4.22	-12.66	0	317.279	2.379	1	2	6	O=S(=O)(CCc1c(F)cccc1F)NCCC(F)(F)F
282120048	ZINC000165035665	ref	5.04	-46.87	-1	317.382	2.303	1	4	7	CCC(CC)(CNS(=O)(=O)c1cc(C)ccc1F)C(=O)[O-]
365621291	ZINC000625023837	ref	5.79	-12.16	0	321.446	2.255	1	4	5	Cc1cc(C)cc(C[C@H](C)NS(=O)(=O)c2cnc(C)n2C)c1
365621295	ZINC000625024306	ref	7.76	-41.13	1	309.454	2.164	1	2	1	CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
365621297	ZINC000625024306	mid	7.9	-40.74	1	309.454	2.164	1	2	1	CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
342082037	ZINC000625330539	ref	4.14	-46.56	1	290.473	1.473	1	3	8	CCN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1CCC[N@@H+]1CC
214189366	ZINC000278492303	ref	7.05	-8.71	0	314.389	2.16	1	4	4	CCCc1c(NC(=O)C(=O)N(C)C)cnn1-c1ccccc1C
342082038	ZINC000625330539	mid	4.15	-46.89	1	290.473	1.473	1	3	8	CCN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1CCC[N@H+]1CC
342082039	ZINC000625330539	mid	4.7	-10.6	0	290.473	1.473	1	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O
342082040	ZINC000625330539	mid	4.15	-46.89	1	290.473	1.473	1	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H](C)CS(C)(=O)=O
342082041	ZINC000625330539	high	4.7	-10.6	0	290.473	1.473	0	4	8	CCN(C[C@@H](C)CS(C)(=O)=O)C[C@H]1CCCN1CC
342082042	ZINC000625331029	ref	2.53	-9.99	0	266.407	1.368	1	3	10	CCC[C@H](CNS(=O)(=O)N(CC)CC)OCC
342082043	ZINC000625330432	ref	-0.2	-7.52	0	281.356	1.111	0	6	6	COc1cncc(CN2CCO[C@H](COC(C)C)C2)n1
342082044	ZINC000625330598	ref	5.6	-33.2	1	284.444	1.988	1	3	9	CCN(CCOC[C@@H]1CCCO1)C[C@H]1CCC[N@@H+]1CC
342082045	ZINC000625330598	mid	5.77	-33.89	1	284.444	1.988	1	3	9	CCN(CCOC[C@@H]1CCCO1)C[C@H]1CCC[N@H+]1CC
342082046	ZINC000625330598	mid	5.6	-33.2	1	284.444	1.988	1	3	9	CCN1CCC[C@@H]1C[N@H+](CC)CCOC[C@@H]1CCCO1
342082047	ZINC000625330598	mid	5.77	-33.89	1	284.444	1.988	1	3	9	CCN1CCC[C@@H]1C[N@@H+](CC)CCOC[C@@H]1CCCO1
365621276	ZINC000617368301	ref	2.45	-12.62	0	289.372	0.597	1	5	10	COCCCOCC(=O)N[C@H](COC)C1CCOCC1
343994307	ZINC000599272844	low	5.28	-46.17	1	279.34	1.263	1	5	3	COC(=O)c1cnc(C[N@H+]2C[C@H](C)OC(C)(C)C2)cn1
365621282	ZINC000617368454	ref	2.65	-16.1	0	284.356	0.165	1	4	5	COC[C@H](NC(=O)[C@@H]1CCC(=O)N1C)C1CCOCC1
365621290	ZINC000617371139	ref	4.86	-10.45	0	281.356	0.831	1	5	7	COC[C@H](NC(=O)CCn1ccnc1)C1CCOCC1
365621294	ZINC000617371139	low	5.38	-37.24	1	281.356	0.831	1	4	7	COC[C@H](NC(=O)CCn1cc[nH+]c1)C1CCOCC1
365621298	ZINC000617370045	ref	3.96	-34.6	1	272.389	0.884	2	3	7	CC[C@H](C(=O)N[C@@H](COC)C1CCOCC1)[NH+](C)C
365621302	ZINC000617370045	high	1.83	-6.13	0	272.389	0.884	1	4	7	CC[C@H](C(=O)N[C@@H](COC)C1CCOCC1)N(C)C
365621307	ZINC000617370046	ref	4.04	-34.33	1	272.389	0.884	2	3	7	CC[C@@H](C(=O)N[C@@H](COC)C1CCOCC1)[NH+](C)C
365621310	ZINC000617370046	high	1.93	-6.32	0	272.389	0.884	1	4	7	CC[C@@H](C(=O)N[C@@H](COC)C1CCOCC1)N(C)C
365621315	ZINC000617367075	ref	2.06	-9.25	0	271.357	0.871	2	4	7	C=C[C@@](C)(O)CC(=O)N[C@H](COC)C1CCOCC1
365621321	ZINC000617369411	ref	-0.82	-21.46	0	295.339	0.285	3	4	6	COC[C@H](NC(=O)c1cc(C(N)=O)c[nH]1)C1CCOCC1
365621324	ZINC000617367815	ref	3.23	-14.5	0	294.351	0.557	1	5	5	COC[C@@H](NC(=O)c1cccc(=O)n1C)C1CCOCC1
365621330	ZINC000617370042	ref	4.01	-34.44	1	272.389	0.884	2	3	7	CC[C@H](C(=O)N[C@H](COC)C1CCOCC1)[NH+](C)C
365621333	ZINC000617370042	high	1.93	-6.19	0	272.389	0.884	1	4	7	CC[C@H](C(=O)N[C@H](COC)C1CCOCC1)N(C)C
365621337	ZINC000617368941	ref	-0.58	-9.73	0	296.323	0.55	2	5	6	COC[C@@H](NC(=O)c1ccc(C(N)=O)o1)C1CCOCC1
365621343	ZINC000617367979	ref	1.37	-10.35	0	280.324	0.959	2	5	5	COC[C@@H](NC(=O)c1ncccc1O)C1CCOCC1
342082048	ZINC000625327949	ref	5.34	-37.69	1	255.406	1.175	2	2	7	CN(CC[N@H+](C)C1CC1)CC(=O)NCC(C)(C)C
365621347	ZINC000617367979	mid	2.38	-51.99	-1	280.324	0.959	1	5	5	COC[C@@H](NC(=O)c1ncccc1[O-])C1CCOCC1
365621350	ZINC000617369581	ref	3.26	-7.29	0	279.34	0.956	1	5	5	COC[C@@H](NC(=O)c1cc(C)ncn1)C1CCOCC1
365621352	ZINC000617370955	ref	1.83	-13.08	0	275.345	0.207	1	5	9	COCCOCC(=O)N[C@H](COC)C1CCOCC1
365621355	ZINC000617369047	ref	3.39	-36.05	1	258.362	0.494	2	3	6	COC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CCOCC1
342082049	ZINC000625327949	mid	5.35	-37.59	1	255.406	1.175	2	2	7	CN(CC[N@@H+](C)C1CC1)CC(=O)NCC(C)(C)C
365621360	ZINC000617369047	mid	1.08	-7.76	0	258.362	0.494	1	4	6	COC[C@H](NC(=O)[C@H](C)N(C)C)C1CCOCC1
365621292	ZINC000336541762	low	6.51	-50.75	1	255.358	2.026	1	1	2	C[C@@H]1C[N@@H+](Cc2ccccc2F)CC[S@](=O)C1
214189368	ZINC000278493054	ref	2.84	-25.35	0	319.361	1.476	2	4	7	C[C@H](NC(=O)CCCC(N)=O)c1ccc(N2CCOC2=O)cc1
342597747	ZINC000616981962	ref	4.56	-11.61	0	274.32	1.831	1	3	4	CC[C@H](C)N(CC)C(=O)c1ccc2c(c1)C(=O)NC2=O
185089794	ZINC000096075986	mid	7.05	-40.19	1	274.368	1.55	1	4	4	COc1cc(N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)ncn1
214189369	ZINC000278492129	ref	8.59	-47.95	1	312.816	3.012	1	1	6	CCC(=O)N1CC[C@H]([NH2+]CCCc2c(F)cccc2Cl)C1
342597748	ZINC000616981962	high	2.75	-46.17	-1	274.32	1.831	0	3	4	CC[C@H](C)N(CC)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O
365621296	ZINC000336541587	ref	5.91	-12.59	0	271.426	2.038	0	2	1	C[C@H]1CCN(C(=O)C2C(C)(C)C2(C)C)CC[S@]1=O
199273143	ZINC000181263785	ref	5.31	-13.88	0	320.78	2.433	2	4	2	Cc1cc(NC(=O)N2CC[C@H](O)C2)nn1-c1ccccc1Cl
197596061	ZINC000290100373	ref	6.21	-10.92	0	289.379	3.09	1	4	5	CC(=O)N[C@@H](c1nc(CC2=CCCC2)no1)C1CCCC1
342597749	ZINC000616981485	ref	4.47	-15.85	0	257.378	1.86	2	2	8	CCCC[C@@H](NC(N)=O)C(=O)N(CC)[C@@H](C)CC
199273145	ZINC000181264527	ref	4.58	-10.62	0	303.387	2.332	2	4	3	O=C(Nc1nc(Cc2ccccc2)cs1)N1CC[C@@H](O)C1
214189371	ZINC000278492520	ref	8.06	-11.41	0	308.397	3.171	1	2	4	CC(C)N(Cc1ccccc1F)C(=O)N[C@H]1CCOC[C@H]1C
214189373	ZINC000278492189	ref	0.18	-12.14	0	311.329	2.151	3	4	5	C[C@H](CO)CNC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1
349535587	ZINC000093300984	ref	2.57	-9.87	0	287.319	0.726	2	4	1	C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1O
342597750	ZINC000590804230	ref	5.06	-10.29	0	290.411	1.852	2	3	5	N#CCN1CCC(NC(=O)N[C@@H](C2CCC2)C2CC2)CC1
185089795	ZINC000096075986	high	3.98	-5.4	0	274.368	1.55	0	5	4	COc1cc(N2CC[C@@]3(CCN3CC3CC3)C2)ncn1
349535591	ZINC000093301037	ref	1.93	-9.26	0	294.355	0.205	2	5	1	Cc1nn(C)c(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1C
282120049	ZINC000248951639	ref	3.96	-12.46	0	324.377	1.835	1	6	7	CC[C@@]1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1
190491886	ZINC000269406090	ref	4.26	-8.35	0	271.32	2.421	1	5	4	COc1cc2c(cc1CNc1cnccn1)O[C@@H](C)C2
342597751	ZINC000590800151	ref	3.58	-19.76	0	278.308	1.46	2	4	2	COC(=O)c1cccc(NC(=O)N2CC[C@@H](O)[C@H]2C)c1
199273147	ZINC000181261458	ref	4.82	-14.38	0	301.35	1.483	2	5	2	Cc1nc(C)n(-c2ccccc2NC(=O)N2CC[C@@H](O)C2)n1
365639399	ZINC000336555617	high	3.52	-5.87	0	252.383	2.31	0	4	3	Cc1csc(CN2CC[C@H]([C@H]3CCOC3)C2)n1
342082050	ZINC000625327949	high	3.05	-6.77	0	255.406	1.175	1	3	7	CN(CCN(C)C1CC1)CC(=O)NCC(C)(C)C
282120050	ZINC000533439312	high	5.68	-14.13	0	299.378	1.96	1	5	7	CN(CCCn1c(=O)[nH]c2ccccc21)CCn1cccn1
342082051	ZINC000625330693	ref	3.33	-14.12	0	280.368	1.652	2	4	6	CCN(Cc1cc(=O)c(O)co1)C[C@H]1CCC[N@@H+]1CC
230233865	ZINC000331125621	ref	1.26	-20.4	0	278.316	-1.325	1	7	4	C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CCN1CCO
282120057	ZINC000533443887	ref	5.7	-21.33	0	289.379	1.387	1	3	5	CCC(=O)N1CC[C@H](C(=O)N[C@@H](C)Cc2ccncc2)C1
282120063	ZINC000533444823	ref	3.49	-48.59	-1	276.34	1.324	1	3	3	O=C(N=c1ccc(C2CC2)n[n-]1)NCC1CCOCC1
342082052	ZINC000625330693	mid	4.09	-51.02	1	280.368	1.652	2	4	6	CCN(Cc1cc(=O)c(O)co1)C[C@H]1CCC[N@H+]1CC
342082053	ZINC000625330693	high	3.33	-14.12	0	280.368	1.652	1	5	6	CCN(Cc1cc(=O)c(O)co1)C[C@H]1CCCN1CC
342082054	ZINC000625330064	ref	7.79	-32.98	1	265.405	1.604	1	4	7	CCN(Cc1ncnn1CC)C[C@H]1CCC[N@@H+]1CC
342082055	ZINC000625330064	mid	7.22	-41.76	1	265.405	1.604	1	4	7	CCN(Cc1ncnn1CC)C[C@H]1CCC[N@H+]1CC
342082056	ZINC000625332432	ref	4.43	-9.15	0	274.328	1.376	0	7	4	c1ncn([C@H]2CCN(Cc3noc(C4CCC4)n3)C2)n1
342082057	ZINC000625330841	ref	6.03	-28.33	1	284.444	1.844	1	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H](OC)[C@H]1CCOC1
342082058	ZINC000625330841	mid	4.76	-32.58	1	284.444	1.844	1	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H](OC)[C@H]1CCOC1
343994308	ZINC000139351592	mid	2.82	-46.71	1	194.234	0.902	1	2	3	[NH3+][C@H](CN1CCCC1=O)c1ccco1
342082059	ZINC000625330841	mid	6.03	-28.33	1	284.444	1.844	1	3	8	CCN(C[C@H](OC)[C@H]1CCOC1)C[C@H]1CCC[N@@H+]1CC
342082060	ZINC000625330841	mid	4.76	-32.58	1	284.444	1.844	1	3	8	CCN(C[C@H](OC)[C@H]1CCOC1)C[C@H]1CCC[N@H+]1CC
230233869	ZINC000331125621	mid	3.39	-57.43	1	278.316	-1.325	2	6	4	C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[N@@H+]1CCO
230233874	ZINC000331125621	mid	3.58	-59.24	1	278.316	-1.325	2	6	4	C[C@H]1CN(C(=O)Cn2cnc(C#N)n2)CC[N@H+]1CCO
230233879	ZINC000331105549	ref	3.3	-20.33	0	255.278	-1.824	1	6	5	CCN(C)C(=O)CNC(=O)Cn1ncn(C)c1=O
230233888	ZINC000331059389	ref	0.86	-29.05	0	292.357	-1.262	0	6	5	CCS(=O)(=O)CC(=O)N1CCN(CC(=O)OC)CC1
230233894	ZINC000331132212	ref	-1.47	-18.03	0	292.286	-1.742	2	4	6	CN1CCN(CC(=O)NCC(=O)NCC(F)F)CC1=O
230233924	ZINC000331132254	ref	3.06	-22.72	0	281.272	-1.287	0	7	4	CCN1CN(C(=O)Cn2cc(C(=O)OC)nn2)CC1=O
230233930	ZINC000331094128	ref	-1.09	-11.81	0	280.346	-1.2	1	5	6	CCS(=O)(=O)N(C)CC(=O)NC[C@@H]1COCCO1
365621293	ZINC000354677491	ref	4.32	-47.43	1	289.379	1.5	3	2	5	Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1C
365621299	ZINC000354676569	ref	5.63	-35.48	1	295.427	1.235	2	2	4	CC[C@@]1(C)CCN(C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1
290622968	ZINC000492524955	ref	5.08	-10.22	0	258.243	2.472	1	2	4	Cc1ccc(/C=C/C(=O)NCCC(F)(F)F)nc1
214189375	ZINC000278492225	ref	9.24	-7.82	0	302.397	3.382	0	4	6	CCn1ncnc1CN(Cc1cccc(F)c1)C1CCCC1
197596069	ZINC000290101918	ref	3.2	-9.33	0	290.363	2.676	3	3	6	C=C[C@@H](CO)NC(=O)Nc1ccc(OC2CCCC2)cc1
349535593	ZINC000602431722	ref	10.32	-44.86	1	230.355	3.367	1	1	6	Cc1ccccc1C[N@@H+](C)C[C@@H](C)CCC#N
197596071	ZINC000290103041	ref	3.6	-14.48	0	281.352	1.278	2	4	9	COCCCOCC(=O)N[C@H](C)[C@H](O)c1ccccc1
290622970	ZINC000492525934	ref	6.3	-16.98	0	298.367	2.293	1	3	4	O=C(/C=C\c1ccsc1)N[C@@H]1CN(c2ccccc2)C1=O
282120051	ZINC000151570541	mid	8.4	-43.02	1	322.453	2.378	2	3	5	Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1
349535597	ZINC000602431722	mid	10.28	-45.36	1	230.355	3.367	1	1	6	Cc1ccccc1C[N@H+](C)C[C@@H](C)CCC#N
282120054	ZINC000151570541	high	5.72	-13.42	0	322.453	2.378	1	4	5	Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)C[C@H]1CCCN(C)C1
365621303	ZINC000354676569	high	3.61	-5.09	0	295.427	1.235	1	3	4	CC[C@@]1(C)CCN(C(=O)C(=O)NCC2(N(C)C)CCC2)C1
342597752	ZINC000590804392	ref	3.99	-11.22	0	278.4	1.852	2	3	4	C[C@@H](NC(=O)NC1CCN(CC#N)CC1)C1CCCC1
342597753	ZINC000590802286	ref	5.24	-15.71	0	292.383	1.836	1	4	4	Cn1cc([C@H]2CCCN2C(=O)NCC[C@@H]2CCCO2)cn1
398246042	ZINC000650858700	ref	7.19	-36.49	1	283.416	1.54	2	2	8	CN(CC[NH+]1CCCCC1)C(=O)NCCOCC1CC1
365621306	ZINC000354676809	ref	3.36	-48.93	1	265.357	1.934	2	3	5	C[C@H]([NH2+]Cc1cc(C(N)=O)no1)C1C(C)(C)C1(C)C
282120061	ZINC000151563189	ref	4.92	-8.44	0	323.82	2.349	2	3	5	O=C(NCC1(CO)CCOCC1)[C@@H]1C[C@@H]1c1ccccc1Cl
342597754	ZINC000616982284	ref	4.16	-9.29	0	263.341	1.702	1	3	5	CC[C@H](C)N(CC)C(=O)c1ccc(C(=O)NC)nc1
290622973	ZINC000492524664	ref	4.56	-9.86	0	260.337	2.026	1	3	4	C[C@H](NC(=O)/C=C\c1cccnc1)[C@H]1CCCOC1
192038081	ZINC000418461958	ref	4.01	-88.94	2	242.367	0.317	3	1	7	C[C@H](C[NH3+])CNC(=O)N(C)CC[N@H+](C)C1CC1
133428613	ZINC000306507357	ref	2.57	-8.08	0	183.251	1.105	1	2	3	C=CCNC(=O)[C@@]1(C)CCCOC1
365621311	ZINC000354676809	high	2.12	-6.24	0	265.357	1.934	2	4	5	C[C@H](NCc1cc(C(N)=O)no1)C1C(C)(C)C1(C)C
365621300	ZINC000336541141	ref	3.9	-10.54	0	298.342	2.247	1	4	2	Cc1nc(C(=O)N2C[C@H](O)C3(CC3)C2)c(-c2ccccc2)o1
398246044	ZINC000179906957	ref	9.0	-44.22	1	235.356	2.129	1	3	5	C[NH+](C)CCSCc1cnc2ccccn12
398246052	ZINC000179906957	low	9.49	-77.03	2	235.356	2.129	1	2	5	C[NH+](C)CCSCc1c[nH+]c2ccccn12
398246056	ZINC000179906957	high	6.52	-9.21	0	235.356	2.129	0	4	5	CN(C)CCSCc1cnc2ccccn12
343994309	ZINC000079926585	ref	5.57	-15.37	0	278.327	2.499	2	3	7	CC(=O)c1c(F)cccc1NCCCC(=O)NC1CC1
365621305	ZINC000336541491	ref	8.37	-41.83	1	272.396	2.25	1	3	3	C[NH+](C)[C@@H]1CCCN(Cc2cnc3ccccn23)CC1
178291235	ZINC000295549031	ref	2.27	-10.1	0	247.258	0.859	1	7	3	Cc1cc2c(cc1NCc1nnn(C)n1)OCO2
398246060	ZINC000350842900	ref	2.19	-8.38	0	249.376	1.519	1	3	5	COC[C@H](C)S(=O)(=O)N[C@H]1CCC(C)(C)C1
398246069	ZINC000350892409	ref	-0.35	-9.68	0	236.337	-0.114	1	3	4	CCN(CC)S(=O)(=O)N1C[C@@H](O)[C@H](C)C1
398246079	ZINC000179907355	ref	8.23	-9.7	0	249.329	3.899	1	1	2	Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@@H](C)C1
365621309	ZINC000336541491	low	10.23	-108.76	2	272.396	2.25	2	2	3	C[NH+](C)[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)CC1
398246083	ZINC000179907846	ref	5.93	-11.05	0	246.335	3.321	1	3	2	Cc1ccncc1NC(=O)c1csc(C)c1C
398246091	ZINC000179909420	ref	8.16	-36.59	1	244.363	3.09	1	2	2	C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cncs1
398246101	ZINC000179909420	mid	7.82	-37.75	1	244.363	3.09	1	2	2	C[C@H]1Cc2ccccc2C[N@H+]1Cc1cncs1
365621313	ZINC000336541491	low	10.27	-108.62	2	272.396	2.25	2	2	3	C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cnc3ccccn23)CC1
365621317	ZINC000336541426	ref	5.63	-35.88	1	253.415	2.368	1	3	3	Cc1cnc(CN2CCC[C@H]([NH+](C)C)CC2)s1
365621319	ZINC000336541426	low	7.67	-97.06	2	253.415	2.368	2	2	3	Cc1cnc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1
282120053	ZINC000449149287	ref	3.16	-41.84	1	288.269	2.49	3	2	4	C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(O)c(C(F)(F)F)c1
349535594	ZINC000618814616	ref	7.31	-18.46	0	284.363	1.814	0	4	4	Cc1ccccc1C1(C(=O)N(C)Cc2cn(C)nn2)CC1
398246104	ZINC000179909420	mid	5.33	-5.07	0	244.363	3.09	0	3	2	C[C@H]1Cc2ccccc2CN1Cc1cncs1
398246110	ZINC000179907367	ref	8.4	-9.64	0	249.329	3.899	1	1	2	Cc1cccc(F)c1NC(=O)[C@H]1CCC[C@@H](C)C1
398246116	ZINC000179907737	ref	7.52	-36.7	1	238.375	3.615	1	2	6	CC(C)CC[C@@H]([NH2+]Cc1ccon1)C(C)(C)C
365621323	ZINC000336541426	low	8.06	-96.15	2	253.415	2.368	2	2	3	Cc1cnc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1
349535595	ZINC000594970529	ref	7.82	-10.21	0	297.374	2.874	1	5	5	CC(C)(C)OC(=O)C(C)(C)n1cc(NCC2(F)CC2)cn1
214189376	ZINC000278492225	low	10.67	-44.8	1	302.397	3.382	1	3	6	CCn1ncnc1C[N@H+](Cc1cccc(F)c1)C1CCCC1
214189378	ZINC000278492225	low	11.57	-41.3	1	302.397	3.382	1	3	6	CCn1ncnc1C[N@@H+](Cc1cccc(F)c1)C1CCCC1
282120055	ZINC000165035665	high	4.92	-131.41	-2	317.382	2.303	0	4	7	CCC(CC)(C[N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-]
282120064	ZINC000424108471	ref	0.94	-11.32	0	280.39	0.928	2	4	6	CCC(CC)(CNS(N)(=O)=O)C(=O)OC(C)(C)C
349535601	ZINC000594972485	ref	8.21	-45.85	1	259.365	2.692	1	2	6	COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)[C@@H]1C
349535604	ZINC000594973983	ref	9.8	-45.45	1	275.392	2.633	1	2	6	COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCc1ccc(C)c(C)c1
190491893	ZINC000269403613	ref	6.34	-15.17	0	291.273	2.341	1	4	4	CC[C@H]1CC[C@H](C(=O)Nc2ccn(CC(F)(F)F)n2)O1
282120087	ZINC000424367729	ref	2.72	-51.1	-1	286.353	1.251	1	5	7	CCC(CC)(CNS(=O)(=O)c1ccccn1)C(=O)[O-]
282120090	ZINC000424367729	high	2.3	-130.02	-2	286.353	1.251	0	5	7	CCC(CC)(C[N-]S(=O)(=O)c1ccccn1)C(=O)[O-]
282120096	ZINC000192703300	ref	6.83	-39.04	1	286.416	1.811	1	3	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)N(C)C(C)C)C(=O)OC
214189383	ZINC000278492540	ref	7.01	-16.86	0	314.389	2.987	2	3	6	CCCCc1cc(NC(=O)c2ccc(N(C)C(C)=O)cc2)n[nH]1
214189384	ZINC000278492182	ref	3.45	-9.71	0	320.414	2.702	2	5	6	Cc1cc(C(=O)NC[C@H](O)c2ccc(OC(C)C)cc2)ns1
133428614	ZINC000306501496	ref	0.36	-7.76	0	172.203	0.305	1	3	3	N#CCCN1C[C@@H](F)C[C@@H]1CO
342082061	ZINC000127053864	ref	4.46	-43.64	1	272.343	1.592	1	3	7	FC(F)CN1CCC([NH2+]CCCn2cccn2)CC1
192038083	ZINC000418461958	mid	1.71	-51.0	1	242.367	0.317	3	1	7	C[C@H](C[NH3+])CNC(=O)N(C)CC[N@@H+](C)C1CC1
342082062	ZINC000625330903	ref	2.31	-14.48	0	255.355	1.471	1	3	10	CCC[C@H](CNS(=O)(=O)CCCF)OCC
342082063	ZINC000625330779	ref	6.64	-34.43	1	293.415	1.115	1	5	6	CCN(Cc1nnc2n1CCOC2)C[C@H]1CCC[N@@H+]1CC
342082064	ZINC000625330779	mid	5.46	-42.6	1	293.415	1.115	1	5	6	CCN(Cc1nnc2n1CCOC2)C[C@H]1CCC[N@H+]1CC
342082065	ZINC000625328015	ref	1.09	-7.32	0	279.34	1.328	0	6	3	C1CC(c2nc(CN3CCO[C@@]4(CCOC4)C3)no2)C1
342082066	ZINC000625330534	ref	4.52	-46.62	1	290.473	1.473	1	3	8	CCN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1CCC[N@@H+]1CC
342082067	ZINC000625330534	mid	4.13	-43.76	1	290.473	1.473	1	3	8	CCN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1CCC[N@H+]1CC
342082068	ZINC000625330534	mid	2.59	-10.84	0	290.473	1.473	1	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@H](C)CS(C)(=O)=O
185089801	ZINC000096077115	ref	4.34	-33.44	1	277.368	1.018	1	3	2	CN1CCN(C)C2(CC[NH+](Cc3ccoc3)CC2)C1=O
365621301	ZINC000625024306	mid	4.87	-6.65	0	309.454	2.164	0	3	1	CC[C@@H]1CN2CCCC[C@H]2CN1C(=O)N1C[C@H](C)O[C@H](C)C1
342597755	ZINC000616982295	ref	6.72	-14.54	0	272.414	1.945	0	3	5	CCC(=O)N1CSC[C@H]1C(=O)N(CC)[C@H](C)CC
365621304	ZINC000625023688	ref	6.11	-26.67	0	300.28	2.114	1	2	3	CNC(=O)[C@H]1CCCN1C(=O)c1cccc(C(F)F)c1F
365621308	ZINC000625026453	ref	8.0	-17.9	0	319.449	2.361	1	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1CCC[C@H](C2CCC2)C1
342597756	ZINC000590800033	ref	4.03	-15.9	0	284.275	1.89	3	4	2	Cc1cc(NC(=O)Nc2ccc3[nH]c(=O)ccc3c2)no1
365621312	ZINC000625024420	ref	0.82	-10.11	0	308.334	2.42	1	6	8	COc1nc(C(=O)N[C@@H](COCC(C)C)c2ccco2)co1
342597757	ZINC000590813050	ref	6.14	-47.27	1	278.4	1.489	1	3	4	Cc1cc(C)n(CC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n1
282120056	ZINC000449148960	ref	6.62	-40.62	1	260.381	2.223	2	1	5	CCC(CC)NC(=O)[C@]1(c2ccccc2)CC[NH2+]C1
342597758	ZINC000590804036	ref	3.45	-11.2	0	264.373	1.32	2	3	5	CC[C@@H]1C[C@H]1CNC(=O)NC1CCN(CC#N)CC1
365621316	ZINC000625027239	ref	6.89	-18.72	0	303.406	2.032	1	2	2	C=C1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1CCN(C2CCC2)C1=O
282120060	ZINC000449149118	ref	7.73	-40.03	1	269.385	2.123	1	3	6	COC(=O)COC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1
342597759	ZINC000590800199	ref	4.9	-6.97	0	270.354	1.775	1	5	5	CCc1cnc(C(=O)N[C@@H](C)C(=O)OC(C)C)s1
282120067	ZINC000449148964	ref	7.53	-35.8	1	258.431	2.117	1	2	8	CCSCC[C@H](C)N(C)C(=O)[C@@H](C)[NH2+]C1CC1
282120072	ZINC000449148964	high	6.48	-8.0	0	258.431	2.117	1	3	8	CCSCC[C@H](C)N(C)C(=O)[C@@H](C)NC1CC1
282120076	ZINC000449149398	ref	5.73	-37.52	1	296.455	2.33	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C
178291229	ZINC000236969406	mid	3.61	-17.56	0	353.488	1.459	1	4	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN[C@@H](C)C2)ccc1C
282120078	ZINC000449149286	ref	3.15	-41.95	1	288.269	2.49	3	2	4	C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(O)c(C(F)(F)F)c1
212169399	ZINC000335491656	ref	0.05	-9.32	0	270.235	0.543	3	3	2	O=C(Nc1cccc(F)c1F)C(=O)N[C@@H]1CC[C@H]1O
365621320	ZINC000625027703	ref	5.69	-15.58	0	309.366	2.003	0	4	3	Cc1ncc(S(=O)(=O)N2CC[C@H]2c2cccc(F)c2)n1C
365621327	ZINC000625024105	ref	6.29	-21.02	0	313.401	2.127	2	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CCc2ccccc21
342597760	ZINC000616982297	ref	6.77	-12.57	0	272.414	1.945	0	3	5	CCC(=O)N1CSC[C@@H]1C(=O)N(CC)[C@@H](C)CC
178291231	ZINC000236983715	ref	7.44	-92.72	2	364.465	1.133	3	3	5	CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2C[NH2+]CCO2)CC1
178291234	ZINC000236983715	mid	6.09	-38.35	1	364.465	1.133	3	4	5	CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CNCCO2)CC1
178291237	ZINC000236983715	high	3.72	-10.19	0	364.465	1.133	2	5	5	CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CNCCO2)CC1
178291239	ZINC000236983695	ref	5.98	-47.3	1	367.515	1.789	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1
282123564	ZINC000533474558	ref	3.22	-12.47	0	251.33	1.064	1	4	3	C[C@H](O)[C@H]1CCCN(C(=O)[C@H](C)n2cccn2)C1
342597761	ZINC000616982084	ref	3.2	-20.03	0	298.408	1.736	1	3	6	CC[C@@H](C)N(CC)C(=O)c1cccc(CS(N)(=O)=O)c1
178291241	ZINC000236974221	ref	4.68	-53.62	1	353.488	1.882	2	3	6	CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)[C@H]2CC[NH2+]C2)c1
185089802	ZINC000096077115	mid	2.01	-8.09	0	277.368	1.018	0	4	2	CN1CCN(C)C2(CCN(Cc3ccoc3)CC2)C1=O
412491627	ZINC000615018968	ref	3.62	-14.75	0	305.342	-0.12	3	7	5	CC(C)(C)n1cc(C(=O)C(=O)NCCc2nc(N)n[nH]2)cn1
178291244	ZINC000236978182	ref	4.93	-52.16	1	365.499	1.68	1	3	7	CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH3+])cc1
412491629	ZINC000579850609	ref	4.79	-10.93	0	310.358	-0.556	2	8	6	COC[C@@H](NC(=O)c1nc(N)nc(N(C)C)n1)[C@@H]1CCCO1
178291247	ZINC000236967378	ref	3.5	-61.32	1	355.504	1.964	2	3	9	CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC([NH3+])(CC)CC)c1
214189386	ZINC000278492060	ref	7.82	-10.95	0	321.398	3.15	0	6	7	COC[C@H](OC(=O)[C@@H](C)Oc1cccc(C)c1)c1nccs1
214189387	ZINC000278493223	ref	5.57	-43.62	1	321.425	1.119	2	4	7	CCOCC[N@@H+]1CCN(C(=O)NCc2cccnn2)C[C@H]1CC
230233880	ZINC000413467420	ref	6.3	-6.44	0	315.602	3.404	1	4	3	C[C@H](Nc1ncc(Cl)cc1Br)c1ccn(C)n1
230233889	ZINC000413467056	ref	3.6	-9.72	0	324.372	3.185	2	4	6	CC[C@@H](CNC(=O)N[C@H](C)c1nnc(C)s1)CC(F)(F)F
166172918	ZINC000231669996	mid	2.87	-38.08	1	168.284	1.246	1	1	3	C=CCN(C)[C@@H]1CCC[NH2+]CC1
230233905	ZINC000413463122	ref	6.79	-12.0	0	322.474	3.037	2	3	7	CSCCCCCNC(=O)N1C[C@H](O)C[C@@H]1c1ccccc1
230233915	ZINC000413462436	ref	4.13	-7.73	0	310.463	3.22	3	3	5	CC[C@H](NC(=O)N[C@@H]1CCCc2sccc21)[C@H](O)C(C)C
230233921	ZINC000413466444	ref	9.34	-13.35	0	323.4	3.047	1	5	5	Cc1ccccc1-n1nccc1NC(=O)C[C@@H](C)c1cnn(C)c1
230233931	ZINC000413465493	ref	7.22	-8.32	0	308.466	3.461	2	2	7	O=C(NCCC[C@@H]1CCCCO1)NC[C@H]1CCC[C@H]1C1CC1
342082069	ZINC000625330534	mid	4.13	-43.76	1	290.473	1.473	1	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H](C)CS(C)(=O)=O
214189388	ZINC000278493223	mid	5.43	-45.2	1	321.425	1.119	2	4	7	CCOCC[N@H+]1CCN(C(=O)NCc2cccnn2)C[C@H]1CC
214189389	ZINC000278493223	mid	3.15	-13.29	0	321.425	1.119	1	5	7	CCOCCN1CCN(C(=O)NCc2cccnn2)C[C@H]1CC
214189390	ZINC000278492093	ref	10.17	-46.31	1	301.459	3.315	1	3	7	C[C@H](CC[NH2+]CCc1cn2c(n1)SCC2)c1ccccc1
282120058	ZINC000248951639	mid	6.01	-52.22	1	324.377	1.835	2	5	7	CC[C@@]1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1
190491894	ZINC000269406854	ref	7.34	-10.13	0	295.339	2.357	1	5	4	COC(=O)C[C@H]1CCCN1C(=O)Nc1cc(C(C)C)on1
214189392	ZINC000278491904	ref	6.84	-16.89	0	323.374	1.87	0	6	2	CC1(C)CCN(c2ccc(C#N)cc2[N+](=O)[O-])CCS1(=O)=O
342082070	ZINC000625330534	high	2.59	-10.84	0	290.473	1.473	0	4	8	CCN(C[C@H](C)CS(C)(=O)=O)C[C@@H]1CCCN1CC
214189393	ZINC000278492444	ref	4.41	-15.92	0	317.389	2.213	2	5	7	CC[C@H](O)c1nccn1CC(=O)N[C@@H](C)c1ccccc1OC
295666495	ZINC000418733420	ref	4.83	-60.1	1	295.399	1.896	2	2	5	CS[C@H]1CCCCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1
398246046	ZINC000650858700	high	4.78	-8.93	0	283.416	1.54	1	3	8	CN(CCN1CCCCC1)C(=O)NCCOCC1CC1
295666499	ZINC000332720920	ref	6.58	-8.72	0	325.478	2.115	2	3	2	CS[C@H]1CCCCN(C(=O)N[C@@H]2CCC(=O)NC23CCC3)C1
342082071	ZINC000625332422	ref	4.55	-9.57	0	274.328	1.376	0	7	4	c1ncn([C@@H]2CCN(Cc3noc(C4CCC4)n3)C2)n1
295666500	ZINC000128416645	ref	8.22	-7.12	0	272.458	3.348	1	2	2	CS[C@H]1CCCCN(C(=O)N[C@@H](C)C(C)(C)C)C1
349535596	ZINC000093299690	ref	1.2	-6.92	0	277.324	0.558	2	4	1	Cc1ncccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1
342082072	ZINC000625330772	ref	4.18	-35.36	1	258.406	1.454	1	3	9	CCN(C[C@H](COC)OC)C[C@H]1CCC[N@@H+]1CC
349535599	ZINC000093300010	ref	2.63	-9.1	0	287.319	0.726	2	4	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1O
342082073	ZINC000625330772	mid	3.97	-35.02	1	258.406	1.454	1	3	9	CCN(C[C@H](COC)OC)C[C@H]1CCC[N@H+]1CC
214189397	ZINC000278492448	ref	4.4	-15.85	0	317.389	2.213	2	5	7	CC[C@H](O)c1nccn1CC(=O)N[C@H](C)c1ccccc1OC
342082074	ZINC000625330772	mid	4.18	-35.36	1	258.406	1.454	1	3	9	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H](COC)OC
342082075	ZINC000625330772	mid	3.97	-35.02	1	258.406	1.454	1	3	9	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H](COC)OC
342082076	ZINC000625327877	ref	4.92	-43.3	1	275.414	1.31	1	3	6	CCO[C@H](C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1)C1CC1
282120066	ZINC000248951639	mid	5.99	-52.3	1	324.377	1.835	2	5	7	CC[C@@]1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1
282120073	ZINC000248952013	ref	1.23	-11.94	0	322.405	1.495	2	5	7	CCOc1ccc(NC(=O)CCN2C[C@H](C)O[C@@H](CO)C2)cc1
197596086	ZINC000290100824	ref	7.0	-10.21	0	295.81	3.204	1	2	6	C[C@@H](NC(=O)CCCc1ccccc1Cl)[C@@H]1CCOC1
282120077	ZINC000248952013	mid	3.46	-50.02	1	322.405	1.495	3	4	7	CCOc1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@@H](CO)C2)cc1
282120080	ZINC000248952013	mid	3.48	-48.86	1	322.405	1.495	3	4	7	CCOc1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@@H](CO)C2)cc1
282120086	ZINC000248951168	ref	1.66	-14.93	0	320.389	1.299	2	5	6	CC(=O)c1ccc(NC(=O)CCN2C[C@@H](CO)O[C@H](C)C2)cc1
187169751	ZINC000125098010	high	4.99	-8.87	0	282.334	2.279	1	2	3	C[C@H](C(=O)NC1CCN(C)CC1)c1c(F)cccc1F
282120094	ZINC000248951168	low	3.67	-54.54	1	320.389	1.299	3	4	6	CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H](CO)O[C@H](C)C2)cc1
282120099	ZINC000248951168	low	3.69	-53.49	1	320.389	1.299	3	4	6	CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@@H](CO)O[C@H](C)C2)cc1
282120103	ZINC000248948342	ref	7.44	-37.37	1	308.397	1.877	2	2	6	CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO
342597762	ZINC000590813101	ref	6.45	-46.82	1	292.427	1.568	1	3	4	Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1
365621314	ZINC000354676215	ref	2.41	-10.63	0	251.326	1.567	3	3	6	CC(C)[C@@H](O)C(=O)Nc1cccc(CCCO)c1
365621318	ZINC000354676207	ref	6.61	-8.04	0	259.284	1.977	1	3	4	C[C@H](Cc1ccccc1F)NC(=O)c1cncnc1
365621322	ZINC000354678510	ref	3.43	-16.11	0	275.414	1.465	1	3	7	CC(C)C[C@H](C)OCCC(=O)N[C@H]1CC[S@@](=O)C1
185089804	ZINC000096076012	ref	0.28	-19.66	0	291.355	-0.543	1	5	3	CNC(=O)CN1CC[C@]12CCN(C(=O)c1ccn(C)n1)C2
299072341	ZINC000358088121	ref	3.21	-44.39	1	301.456	1.05	4	3	6	CSC[C@@](C)(O)CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1
365621325	ZINC000354678890	ref	5.0	-9.73	0	257.284	1.905	1	3	5	Cc1nn(CC(F)F)c(C)c1C(=O)NCC1CC1
365621329	ZINC000367178710	ref	6.84	-10.28	0	290.294	1.895	1	3	3	CCOC(=O)C1(F)CN(C(=O)c2cc3ccccc3[nH]2)C1
365621334	ZINC000354678579	ref	1.24	-16.28	0	292.32	1.1	2	5	4	CS(=O)(=O)Nc1cccc(NC(=O)c2cncnc2)c1
365621339	ZINC000354675900	ref	6.31	-35.22	1	295.427	1.234	2	2	4	C[C@H]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1
342597763	ZINC000590800279	ref	5.51	-8.43	0	282.365	1.777	1	5	4	CCc1cnc(C(=O)N[C@H]2CCC[C@H]2C(=O)OC)s1
342597764	ZINC000590804215	ref	1.72	-12.04	0	282.388	1.089	2	4	7	CCC[C@H](CNC(=O)NC1CCN(CC#N)CC1)OC
365621326	ZINC000336541045	ref	5.72	-14.3	0	274.711	2.126	1	4	3	Cn1nccc1CC(=O)Nc1ccc(C#N)cc1Cl
349535598	ZINC000618815265	ref	5.17	-22.07	0	291.38	1.594	0	6	5	CCSc1ccc(C(=O)N(C)Cc2cn(C)nn2)cn1
365621328	ZINC000336541258	ref	6.18	-12.14	0	283.393	2.134	0	3	2	CCc1oc(C(=O)N2CC[C@@H](C)[S@@](=O)CC2)cc1C
365621332	ZINC000336541140	ref	3.7	-12.09	0	298.342	2.247	1	4	2	Cc1nc(C(=O)N2C[C@@H](O)C3(CC3)C2)c(-c2ccccc2)o1
185089805	ZINC000096076012	low	3.35	-46.92	1	291.355	-0.543	2	4	3	CNC(=O)C[N@@H+]1CC[C@]12CCN(C(=O)c1ccn(C)n1)C2
342597765	ZINC000590813102	ref	6.47	-46.34	1	292.427	1.568	1	3	4	Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1
349535602	ZINC000618815281	ref	7.26	-14.36	0	288.326	1.658	0	4	4	CN(Cc1cn(C)nn1)C(=O)[C@H]1C[C@]1(F)c1ccccc1
349535607	ZINC000618814562	ref	3.62	-10.71	0	265.704	1.136	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1cncc(Cl)c1
197596098	ZINC000290100662	ref	5.42	-11.12	0	285.369	1.212	1	6	7	CCCC(=O)CSc1n[nH]c(=O)n1C[C@@H]1CCCO1
342597766	ZINC000616981961	ref	4.42	-11.99	0	274.32	1.831	1	3	4	CC[C@@H](C)N(CC)C(=O)c1ccc2c(c1)C(=O)NC2=O
349535610	ZINC000618814763	ref	7.29	-25.35	0	288.351	1.415	0	5	6	CCc1cccc(OCC(=O)N(C)Cc2cn(C)nn2)c1
342597767	ZINC000616981961	high	2.61	-46.81	-1	274.32	1.831	0	3	4	CC[C@@H](C)N(CC)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O
342597768	ZINC000616981709	ref	3.42	-13.72	0	298.408	1.903	1	3	5	CC[C@H](C)N(CC)C(=O)c1ccc(S(N)(=O)=O)c(C)c1
365621335	ZINC000336540981	ref	5.72	-7.33	0	281.396	2.219	0	3	2	CC(C)[C@H]1OCC[C@@H]1C(=O)N1CCOC2(CCCC2)C1
342597769	ZINC000616982009	ref	6.59	-8.72	0	251.33	1.524	0	4	5	CC[C@H](C)N(CC)C(=O)c1ccc(=O)n(CC)n1
365621340	ZINC000336541306	ref	5.94	-18.62	0	297.445	2.22	0	3	1	C[C@@H]1CC[S@](=O)CCN1C(=O)c1cc2c(s1)CCC2
349535614	ZINC000618816089	ref	4.75	-22.33	0	298.346	1.075	2	3	2	CN1CC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1=O
342600582	ZINC000616999945	ref	4.65	-9.61	0	283.331	1.956	0	5	3	CO[C@H]1CN(c2cc(C#N)nc3ccccc23)C[C@H]1OC
349535619	ZINC000618816056	ref	6.03	-11.43	0	288.351	1.38	0	5	7	CN(Cc1cn(C)nn1)C(=O)CCOCc1ccccc1
342600583	ZINC000590851836	ref	5.12	-56.43	-1	297.376	1.655	1	4	7	CCC[C@@H](CNC(=O)c1ccc([S@@](C)=O)cc1)C(=O)[O-]
349535621	ZINC000618815164	ref	6.39	-15.69	0	294.742	1.506	0	5	5	CN(Cc1cn(C)nn1)C(=O)COc1ccccc1Cl
178291250	ZINC000236968069	ref	3.43	-63.67	1	373.906	1.934	1	3	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC([NH3+])CC2)ccc1Cl
178291252	ZINC000236979668	ref	7.36	-93.1	2	364.465	1.133	3	3	5	CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2C[NH2+]CCO2)CC1
365621331	ZINC000625024419	ref	0.82	-10.1	0	308.334	2.42	1	6	8	COc1nc(C(=O)N[C@H](COCC(C)C)c2ccco2)co1
178291255	ZINC000236979668	mid	6.01	-38.67	1	364.465	1.133	3	4	5	CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CNCCO2)CC1
178291257	ZINC000236979668	high	3.64	-9.47	0	364.465	1.133	2	5	5	CCN1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2CNCCO2)CC1
178291260	ZINC000236982884	ref	6.0	-53.06	1	367.515	1.789	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(C[NH2+]C)CC2)cc1
365621336	ZINC000625024672	ref	2.35	-11.25	0	321.389	2.349	2	3	7	CC[C@@H](C[C@@H](C)CO)NS(=O)(=O)c1ccc(C)c(F)c1F
365621338	ZINC000625024672	high	2.38	-47.09	-1	321.389	2.349	1	3	7	CC[C@@H](C[C@@H](C)CO)[N-]S(=O)(=O)c1ccc(C)c(F)c1F
365621342	ZINC000625026456	ref	8.04	-18.63	0	319.449	2.361	1	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1CCC[C@@H](C2CCC2)C1
365621346	ZINC000625025923	ref	5.0	-16.11	0	301.346	2.093	1	5	4	COc1cccc2c1OCC[C@@H]2NC(=O)[C@@H](C)n1cccn1
365621349	ZINC000625027041	ref	5.98	-12.12	0	308.344	2.338	1	2	4	CC(C)C(=O)N[C@@H]1CCCN(C(=O)C[C@H](C)C(F)(F)F)C1
365621351	ZINC000625025645	ref	8.01	-17.55	0	319.449	2.361	1	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1CCC(C2CCC2)CC1
365621354	ZINC000625027135	ref	3.87	-9.69	0	315.357	2.158	0	3	2	CC1(C)C[C@H](S(=O)(=O)N2CCC(C(F)(F)F)CC2)CO1
365621358	ZINC000625024498	ref	5.93	-12.31	0	322.409	2.303	1	7	10	CCCN(C)c1nnc(-c2ccc(CO)o2)n1CCCOCC
178291262	ZINC000236971593	ref	4.12	-57.91	1	361.895	1.71	2	3	9	CC[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC)CC)c1
178291263	ZINC000236983245	ref	7.48	-38.52	1	362.47	1.923	2	4	8	CCOc1ccc(C[C@@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C(=O)OC)cc1
398246047	ZINC000649444122	ref	7.26	-7.5	0	230.311	3.021	0	3	2	COc1c(C)cc(-c2cnn(C)c2C)cc1C
365621362	ZINC000625027035	ref	5.98	-12.1	0	308.344	2.338	1	2	4	CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@@H](C)C(F)(F)F)C1
398249328	ZINC000651462590	ref	4.89	-43.12	1	283.437	3.109	2	3	7	C[C@H](CCCCO)[NH2+][C@H]1CCO[C@H](c2cccs2)C1
365621365	ZINC000625027037	ref	5.98	-12.24	0	308.344	2.338	1	2	4	CC(C)C(=O)N[C@H]1CCCN(C(=O)C[C@H](C)C(F)(F)F)C1
398249522	ZINC000097163155	ref	3.66	-10.73	0	244.25	2.119	0	4	2	O=C(c1coc(-c2ccccc2)n1)N1CCCO1
185089807	ZINC000096076012	low	3.42	-41.59	1	291.355	-0.543	2	4	3	CNC(=O)C[N@H+]1CC[C@]12CCN(C(=O)c1ccn(C)n1)C2
214189398	ZINC000337635146	ref	5.96	-34.15	1	281.4	0.937	1	2	2	C[C@H]1CC[C@@H](C)[N@@H+]1[C@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
365621341	ZINC000354675900	high	4.77	-4.18	0	295.427	1.234	1	3	4	C[C@H]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C1
365621345	ZINC000354677963	ref	5.58	-20.53	0	280.324	1.565	1	5	5	CCOC1CC(C(=O)Nc2cc(C(=O)OC)n(C)c2)C1
342597770	ZINC000616984447	ref	5.92	-14.71	0	295.383	1.354	1	3	6	CC[C@H](C)N(CC)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O
365621356	ZINC000354677492	ref	4.33	-47.39	1	289.379	1.5	3	2	5	Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1C
197596097	ZINC000162846965	ref	7.13	-15.95	0	303.402	2.175	1	3	4	O=C(COc1ccc2c(c1)CCCC2)N1CCC[C@@H](CO)C1
365621361	ZINC000354676391	ref	7.56	-13.57	0	278.396	1.94	1	2	5	CN(CC1CC1)C(=O)C1CCC(NC(=O)C2CC2)CC1
282120068	ZINC000249201516	ref	5.9	-43.26	1	281.4	1.147	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]3OCCC[C@@H]23)C1
365621364	ZINC000354675934	ref	5.38	-15.02	0	297.443	1.626	1	3	8	CCCN(CCC)C(=O)CN1CCC[C@@H](NC(=O)CC)C1
365621368	ZINC000354675934	mid	8.09	-46.78	1	297.443	1.626	2	2	8	CCCN(CCC)C(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC)C1
214189405	ZINC000337635146	mid	5.52	-33.99	1	281.4	0.937	1	2	2	C[C@H]1CC[C@@H](C)[N@H+]1[C@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
365621372	ZINC000354675934	mid	7.55	-47.34	1	297.443	1.626	2	2	8	CCCN(CCC)C(=O)C[N@H+]1CCC[C@@H](NC(=O)CC)C1
342597771	ZINC000616983230	ref	1.15	-9.21	0	254.249	1.916	3	4	2	O=C(Nc1ccc(O)c2ccccc12)c1cn[nH]n1
214189407	ZINC000337635146	high	4.15	-9.19	0	281.4	0.937	0	3	2	C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
365621376	ZINC000354677653	ref	5.78	-41.23	1	272.389	1.468	2	3	9	CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)C(=O)OCC
365621379	ZINC000354679119	ref	3.12	-39.42	1	271.401	1.401	3	3	6	OCCOC1CC[NH+](C[C@H](O)C2CCCCC2)CC1
365621385	ZINC000354676587	ref	4.19	-4.98	0	282.384	1.173	1	3	1	C[C@H]1C[C@@H](C)CN(C(=O)C(=O)N[C@@H]2CCO[C@@H]2C)[C@H]1C
365621387	ZINC000354678332	ref	1.78	-10.16	0	285.384	1.193	1	4	4	CCC1(O)CCN(C(=O)C2(COC)CCOCC2)CC1
185089809	ZINC000096078071	ref	2.86	-15.79	0	297.384	0.405	1	6	3	CN(C)C(=O)NC[C@H]1CC2(CO1)CN(c1nncs1)C2
349535600	ZINC000258939878	ref	8.41	-46.45	1	214.312	2.697	1	1	4	Cc1ccc(C[NH2+]CC2(C#N)CC2)c(C)c1
365621390	ZINC000354676952	ref	5.58	-44.37	1	297.443	1.529	2	2	9	CCC(CC)CN(CC)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365621344	ZINC000336541158	ref	5.33	-11.9	0	254.293	2.154	2	3	3	O=C(Nc1cncnc1)N[C@@H]1C[C@H]1c1ccccc1
342597772	ZINC000616983230	high	1.03	-37.95	-1	254.249	1.916	2	4	2	O=C(Nc1ccc(O)c2ccccc12)c1cnn[n-]1
365621348	ZINC000336541054	ref	4.26	-11.51	0	285.384	2.225	0	3	3	CS(=O)(=O)[C@H]1CCCCN(Cc2cccc(F)c2)C1
365621353	ZINC000336541054	low	6.22	-48.71	1	285.384	2.225	1	2	3	CS(=O)(=O)[C@H]1CCCC[N@H+](Cc2cccc(F)c2)C1
365621357	ZINC000336541054	low	6.16	-48.24	1	285.384	2.225	1	2	3	CS(=O)(=O)[C@H]1CCCC[N@@H+](Cc2cccc(F)c2)C1
282120069	ZINC000533444823	low	2.94	-14.55	0	276.34	1.324	2	3	3	O=C(N=c1ccc(C2CC2)n[nH]1)NCC1CCOCC1
342597773	ZINC000616983230	high	0.96	-37.81	-1	254.249	1.916	2	4	2	O=C(Nc1ccc(O)c2ccccc12)c1c[n-]nn1
214189399	ZINC000278492470	ref	7.85	-27.07	0	315.329	1.942	1	5	5	Cc1ccn(CC(=O)N[C@H](C)c2ccccc2[N+](=O)[O-])c(=O)c1
282120074	ZINC000533443674	ref	4.06	-6.88	0	255.358	1.733	1	3	6	COCCC1(C(=O)N[C@@H]2C[C@H](OC)C2(C)C)CC1
365621359	ZINC000336541652	ref	6.29	-9.64	0	261.369	2.306	1	2	2	CN(C(=O)[C@H]1CCc2c[nH]nc2C1)C1(C)CCCC1
365621363	ZINC000336540984	ref	5.43	-13.68	0	271.426	2.326	0	2	1	C[C@H]1CCN(C(=O)C2(C)CCCCC2)CC[S@]1=O
365621367	ZINC000336541116	ref	5.79	-10.36	0	279.409	2.163	1	4	2	CNC(=O)c1cccnc1N1CCSC(C)(C)CC1
342597774	ZINC000616983230	high	1.13	-38.14	-1	254.249	1.916	2	4	2	O=C(Nc1ccc(O)c2ccccc12)c1cn[n-]n1
365621371	ZINC000336540987	ref	5.79	-15.38	0	271.426	2.326	0	2	1	C[C@@H]1CCN(C(=O)C2(C)CCCCC2)CC[S@@]1=O
342597775	ZINC000308376747	ref	2.75	-7.76	0	286.257	1.414	1	5	2	CCc1nc(C#N)cc(N2CC[C@@](O)(C(F)(F)F)C2)n1
342597776	ZINC000616984449	ref	6.66	-13.31	0	295.383	1.354	1	3	6	CC[C@H](C)N(CC)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
365621374	ZINC000336541307	ref	5.94	-21.05	0	297.445	2.22	0	3	1	C[C@@H]1CC[S@@](=O)CCN1C(=O)c1cc2c(s1)CCC2
282120079	ZINC000533444382	ref	5.52	-13.71	0	291.376	1.794	1	4	4	Cn1cnc2cc(S(=O)(=O)NC3(C4CC4)CC3)ccc21
365621378	ZINC000336541425	ref	5.99	-34.61	1	253.415	2.368	1	3	3	Cc1cnc(CN2CCC[C@@H]([NH+](C)C)CC2)s1
365621381	ZINC000336541425	low	7.71	-96.21	2	253.415	2.368	2	2	3	Cc1cnc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1
365621383	ZINC000336541425	low	8.11	-96.4	2	253.415	2.368	2	2	3	Cc1cnc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1
342597777	ZINC000616983547	ref	5.74	-9.87	0	270.373	1.128	0	3	7	CC[C@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(CCOC)C1
398246050	ZINC000390772755	ref	8.27	-43.92	1	237.343	2.908	1	1	4	Fc1cc(C2CC2)ccc1C[NH2+]C1CSC1
365621366	ZINC000617370322	ref	2.3	-13.58	0	281.356	0.818	2	4	6	COC[C@H](NC(=O)Cc1cc(C)[nH]n1)C1CCOCC1
365621370	ZINC000617370322	mid	2.19	-13.05	0	281.356	0.818	2	4	6	COC[C@H](NC(=O)Cc1cc(C)n[nH]1)C1CCOCC1
365621375	ZINC000617370940	ref	1.46	-9.41	0	286.372	0.461	2	4	8	CCNC(=O)CCC(=O)N[C@@H](COC)C1CCOCC1
282120070	ZINC000151563058	ref	4.99	-12.01	0	323.82	2.349	2	3	5	O=C(NCC1(CO)CCOCC1)[C@H]1C[C@@H]1c1ccccc1Cl
365621382	ZINC000617367561	ref	-0.67	-9.19	0	254.286	0.846	1	5	5	COC[C@H](NC(=O)c1cnco1)C1CCOCC1
365621384	ZINC000617367893	ref	-0.63	-16.76	0	296.323	0.55	2	5	6	COC[C@@H](NC(=O)c1coc(C(N)=O)c1)C1CCOCC1
365621389	ZINC000617369692	ref	2.39	-11.1	0	279.34	0.956	1	5	5	COC[C@H](NC(=O)c1ccnnc1C)C1CCOCC1
282120082	ZINC000151564467	ref	3.34	-12.08	0	305.334	2.424	1	6	7	CCOC(=O)NCCCc1nc(-c2ccc(OC)cc2)no1
365621391	ZINC000617368517	ref	2.39	-7.5	0	273.373	0.951	2	4	7	CC[C@H](C)[C@@H](O)C(=O)N[C@@H](COC)C1CCOCC1
365621394	ZINC000617368305	ref	2.93	-8.0	0	283.368	0.971	1	4	5	COC[C@H](NC(=O)[C@H]1C[C@]12CCOC2)C1CCOCC1
365621397	ZINC000617368569	ref	4.44	-14.58	0	282.344	0.397	1	6	6	COC[C@@H](NC(=O)[C@@H](C)n1cncn1)C1CCOCC1
342082077	ZINC000625327877	mid	4.55	-45.07	1	275.414	1.31	1	3	6	CCO[C@H](C[N@H+]1CCC[C@H](S(C)(=O)=O)C1)C1CC1
185089810	ZINC000096078141	ref	4.64	-43.11	1	297.349	1.611	2	3	3	OCC[N@@H+]1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1
365621399	ZINC000617367513	ref	2.16	-10.35	0	271.357	0.969	1	4	5	COC[C@H](NC(=O)[C@H]1CCO[C@H]1C)C1CCOCC1
365621401	ZINC000617368516	ref	2.27	-7.46	0	273.373	0.951	2	4	7	CC[C@H](C)[C@H](O)C(=O)N[C@H](COC)C1CCOCC1
214189401	ZINC000278493235	ref	0.25	-45.91	-1	309.351	1.057	1	6	5	CCn1cc(S(=O)(=O)[N-]c2cnccc2NC(C)=O)cn1
346818902	ZINC000601316999	high	6.55	-6.98	0	283.419	2.465	0	3	3	N#CCCN1CCN([C@H]2CCCc3ccccc3C2)CC1
133428616	ZINC000306497687	ref	4.33	-7.49	0	187.189	1.027	1	1	2	CC#CCNC(=O)[C@@H]1[C@@H](C)C1(F)F
346818911	ZINC000601317060	ref	3.2	-9.32	0	276.409	2.052	0	5	3	N#CCCN1CCN([C@H]2CCCc3scnc32)CC1
346818916	ZINC000601317060	low	5.4	-39.97	1	276.409	2.052	1	4	3	N#CCCN1CC[NH+]([C@H]2CCCc3scnc32)CC1
346818921	ZINC000601316599	ref	6.13	-14.04	0	287.768	2.427	0	4	2	COC(=O)[C@@]1(C)CCN(C(=O)c2cscc2Cl)C1
346818925	ZINC000601316477	ref	5.95	-10.44	0	280.375	2.077	0	4	3	N#CCCN1CCN([C@@H]2CCc3ccc(C#N)cc32)CC1
365621369	ZINC000625027769	ref	7.52	-43.34	1	304.434	2.011	1	3	6	Cc1ccccc1C[C@@H](C)C(=O)NCCN1CCO[C@H](C)C1
342082078	ZINC000625327877	mid	2.51	-11.83	0	275.414	1.31	0	4	6	CCO[C@H](CN1CCC[C@H](S(C)(=O)=O)C1)C1CC1
214189402	ZINC000278493235	low	0.34	-17.92	0	309.351	1.057	2	6	5	CCn1cc(S(=O)(=O)Nc2cnccc2NC(C)=O)cn1
214189403	ZINC000278493455	ref	5.44	-8.88	0	304.398	2.184	0	7	5	CCn1ncnc1CN1CCC[C@@H](c2noc(C(C)C)n2)C1
214189404	ZINC000278493455	low	7.23	-41.63	1	304.398	2.184	1	6	5	CCn1ncnc1C[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1
214189406	ZINC000278493455	low	7.61	-43.31	1	304.398	2.184	1	6	5	CCn1ncnc1C[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1
214189408	ZINC000278493512	ref	5.29	-19.6	0	322.311	1.911	1	4	4	COc1c(F)ccc(F)c1C(=O)NCc1ccc(C)n(C)c1=O
214189410	ZINC000278492241	ref	-2.29	-56.67	-1	307.291	1.284	0	8	4	O=S(=O)([N-]c1nnc(C2CC2)o1)c1cccc2nonc12
214189411	ZINC000278492241	low	-1.67	-13.63	0	307.291	1.284	1	8	4	O=S(=O)(Nc1nnc(C2CC2)o1)c1cccc2nonc12
214189413	ZINC000278492631	ref	2.68	-41.82	-1	319.386	2.314	1	4	1	C[C@H]1CCCN(C(=O)C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1
214189415	ZINC000278493750	ref	6.39	-17.2	0	316.401	3.035	2	3	5	CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
214189417	ZINC000278492088	ref	-1.03	-5.69	0	316.195	1.786	3	4	5	OCC[C@@]1(NCc2cc(O)ccc2Br)CCOC1
214189418	ZINC000278492088	mid	0.02	-37.97	1	316.195	1.786	3	3	5	OCC[C@@]1([NH2+]Cc2cc(O)ccc2Br)CCOC1
342082079	ZINC000625330941	ref	3.12	-42.31	1	284.425	1.842	3	3	6	Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C
342082080	ZINC000625330941	mid	1.96	-11.38	0	284.425	1.842	3	4	6	Cc1ccsc1[C@@H](CO)NCC(=O)NCC(C)(C)C
282123565	ZINC000533473630	ref	-0.83	-9.71	0	273.358	1.224	3	5	6	CCc1ncsc1NC(=O)NC[C@](C)(O)COC
214189422	ZINC000278492013	ref	5.83	-13.73	0	319.401	2.399	1	4	5	C[C@@H]1COCC[C@@H]1NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
214189423	ZINC000278492986	ref	3.84	-17.98	0	301.408	2.45	0	5	8	COc1ccnc(CS(=O)(=O)CCCC(C)C)c1OC
342082081	ZINC000625330835	ref	8.89	-77.87	2	264.417	1.769	1	3	7	CCN(CCc1cncn1C)C[C@@H]1CCC[N@@H+]1CC
214189425	ZINC000278493590	ref	8.19	-14.22	0	324.808	3.073	0	4	5	CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cccnc1Cl
342082082	ZINC000625330835	mid	8.72	-78.63	2	264.417	1.769	1	3	7	CCN(CCc1cncn1C)C[C@@H]1CCC[N@H+]1CC
342082083	ZINC000625330835	mid	8.3	-39.65	1	264.417	1.769	1	2	7	CCN(CCc1c[nH+]cn1C)C[C@@H]1CCC[N@@H+]1CC
365621373	ZINC000625027769	low	7.55	-43.85	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1
365621377	ZINC000625027769	low	7.52	-43.34	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1
349535603	ZINC000093301036	ref	1.8	-8.44	0	294.355	0.205	2	5	1	Cc1nn(C)c(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)c1C
365621380	ZINC000625027291	ref	5.04	-11.08	0	318.377	2.35	1	6	8	CC(C)COC[C@@H](NC(=O)c1cn(C2CC2)nn1)c1ccco1
197596110	ZINC000290102569	ref	1.71	-13.79	0	293.435	1.137	0	4	2	C[C@@H]1CN(S(=O)(=O)c2ccsc2)CC[S@](=O)C1
214189409	ZINC000337633599	ref	1.31	-21.7	0	289.361	-0.84	1	8	9	CN(CCOCCO)C(=O)CCSc1nnnn1C
365638746	ZINC000172918474	ref	4.27	-15.28	0	273.292	1.517	0	5	2	Cc1noc(-c2ccccc2C(=O)N2CCOCC2)n1
365638752	ZINC000172926959	ref	7.57	-26.52	0	260.322	1.548	0	6	2	Cc1nnc(Cn2ccc(=O)c3sccc32)n1C
365638757	ZINC000189264616	ref	3.08	-16.78	0	263.771	1.606	0	3	1	O=C(c1csc(Cl)c1)N1CCS(=O)CC1
197596111	ZINC000290101861	ref	5.58	-17.64	0	285.294	1.894	1	3	1	C[C@H]1CN(C(=O)Nc2ccc(=O)n(C)c2)CCC1(F)F
342082084	ZINC000625330835	mid	8.26	-39.73	1	264.417	1.769	1	2	7	CCN(CCc1c[nH+]cn1C)C[C@@H]1CCC[N@H+]1CC
342082085	ZINC000625330835	high	8.3	-39.65	1	264.417	1.769	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)CCc1cncn1C
365638761	ZINC000172918290	ref	4.06	-9.83	0	279.336	1.574	0	4	6	COCCCOc1cccc(C(=O)N2CCOCC2)c1
365638767	ZINC000172918414	ref	4.68	-11.14	0	265.357	1.074	0	4	3	Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N1CCOCC1
365638776	ZINC000172917269	ref	3.75	-13.59	0	278.377	1.419	2	3	5	C[C@H](CNC(=O)[C@@H]1CNC(=O)C1)Sc1ccccc1
365638780	ZINC000172922123	ref	6.47	-13.65	0	295.774	1.881	1	5	6	CCn1nc(C)c(C(=O)NCCCn2ccnc2)c1Cl
342082086	ZINC000625330835	high	8.26	-39.73	1	264.417	1.769	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)CCc1cncn1C
197596115	ZINC000290101147	ref	3.45	-44.92	1	251.326	1.76	1	3	5	COc1ccc([C@@H](C)[NH2+][C@H]2COC[C@@H]2OC)cc1
300269987	ZINC000352730543	low	6.53	-48.94	1	281.421	2.423	1	2	3	C[C@H]1C[N@@H+](Cc2ccc([S@](C)=O)cc2)CC(C)(C)O1
197596116	ZINC000290101147	high	2.48	-6.2	0	251.326	1.76	1	4	5	COc1ccc([C@@H](C)N[C@H]2COC[C@@H]2OC)cc1
342082087	ZINC000625330537	ref	3.52	-47.42	1	290.473	1.473	1	3	8	CCN(C[C@H](C)CS(C)(=O)=O)C[C@H]1CCC[N@@H+]1CC
342082088	ZINC000625330537	mid	3.86	-46.99	1	290.473	1.473	1	3	8	CCN(C[C@H](C)CS(C)(=O)=O)C[C@H]1CCC[N@H+]1CC
342082089	ZINC000625330537	mid	3.45	-11.04	0	290.473	1.473	1	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H](C)CS(C)(=O)=O
365621386	ZINC000336541650	ref	6.31	-9.32	0	261.369	2.306	1	2	2	CN(C(=O)[C@@H]1CCc2c[nH]nc2C1)C1(C)CCCC1
365621388	ZINC000336541041	ref	4.47	-10.76	0	293.36	2.438	0	3	3	CSc1ccccc1S(=O)(=O)N1CCC(F)(F)C1
365638747	ZINC000274371168	ref	2.2	-13.65	0	279.315	1.45	3	2	4	CC1CC(NC(=O)N[C@H](C(N)=O)c2ccc(F)cc2)C1
178291268	ZINC000236978452	ref	8.52	-86.22	2	353.466	1.958	3	2	7	C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1
178291270	ZINC000236978452	mid	7.14	-42.36	1	353.466	1.958	3	3	7	C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1
365638756	ZINC000274368135	ref	3.38	-35.86	1	258.312	1.369	3	2	8	CC[N@H+](CCO)CCNCc1cccc(F)c1F
178291274	ZINC000236978452	high	4.62	-9.5	0	353.466	1.958	2	4	7	CN(C)CCOc1cccc(CNC(=O)[C@@H]2Cc3ccccc3CN2)c1
178291277	ZINC000236973626	ref	6.24	-60.16	-1	351.428	1.904	2	6	7	CCC[C@H](NC(=O)CCc1nc(=O)c2c(C)c(C)sc2[nH]1)C(=O)[O-]
365638763	ZINC000274368135	mid	3.4	-35.99	1	258.312	1.369	3	2	8	CC[N@@H+](CCO)CCNCc1cccc(F)c1F
365638769	ZINC000274368135	mid	2.66	-44.09	1	258.312	1.369	2	2	8	CCN(CCO)CC[NH2+]Cc1cccc(F)c1F
178291280	ZINC000236970418	ref	7.06	-41.49	1	373.497	1.735	2	3	7	CCOc1ccc(CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1
365638772	ZINC000274368135	high	1.28	-7.7	0	258.312	1.369	2	3	8	CCN(CCO)CCNCc1cccc(F)c1F
282120071	ZINC000329470641	low	4.32	-53.02	1	336.44	0.202	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C)CC2
365638775	ZINC000274370894	ref	2.94	-6.72	0	263.316	1.464	1	3	4	O=C(NC1CC1)[C@@H]1CCCN1Cc1cncc(F)c1
282120075	ZINC000329470641	high	2.15	-14.7	0	336.44	0.202	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)CC2
178291284	ZINC000236982384	ref	2.97	-49.28	1	365.249	1.124	2	4	7	CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCC[NH2+]C)c1
178291288	ZINC000236966477	ref	5.61	-56.47	1	364.465	1.354	2	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
365638786	ZINC000274370894	low	5.84	-40.86	1	263.316	1.464	2	2	4	O=C(NC1CC1)[C@@H]1CCC[N@H+]1Cc1cncc(F)c1
365638789	ZINC000274370894	low	5.25	-39.61	1	263.316	1.464	2	2	4	O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cncc(F)c1
365638793	ZINC000274368400	ref	0.87	-11.43	0	288.294	1.683	3	3	6	COc1cccc([C@@H](C)NC(=O)NCC(F)(F)CO)c1
365638799	ZINC000274371346	ref	4.21	-18.13	0	299.338	1.375	2	6	3	O=C(Nc1cncnc1)N1CCC(Nc2cccnn2)CC1
342082090	ZINC000625330537	mid	3.86	-46.99	1	290.473	1.473	1	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H](C)CS(C)(=O)=O
342082091	ZINC000625330537	high	3.45	-11.04	0	290.473	1.473	0	4	8	CCN(C[C@H](C)CS(C)(=O)=O)C[C@H]1CCCN1CC
365621392	ZINC000354678373	ref	4.89	-4.43	0	282.384	1.317	1	3	1	C[C@H]1CCC[C@@H](C)CN1C(=O)C(=O)N[C@@H]1CCO[C@@H]1C
365621393	ZINC000354676953	ref	5.59	-44.29	1	297.443	1.529	2	2	9	CCC(CC)CN(CC)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
214189414	ZINC000337635932	ref	3.56	-15.96	0	278.356	0.85	2	4	4	O=C(NCCc1cn2c(n1)CCCC2)N[C@@H]1CCOC1
365621395	ZINC000354677157	ref	4.09	-12.64	0	289.326	1.777	1	4	7	COC[C@@H](C)CNC(=O)c1c(C)nn(CC(F)F)c1C
365621396	ZINC000354678141	ref	5.14	-36.17	1	251.355	1.823	1	4	6	COc1ccsc1C[NH2+]CCc1ccn(C)n1
342082092	ZINC000032448981	ref	2.89	-17.02	0	280.349	1.436	2	4	7	CC(=O)c1ccc(NC(=O)CCSCC(N)=O)cc1
342082093	ZINC000625331000	ref	2.06	-12.09	0	279.402	1.29	1	4	9	CCC[C@@H](CNS(=O)(=O)C[C@H]1CCCO1)OCC
342082094	ZINC000625330838	ref	5.21	-32.63	1	284.444	1.844	1	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@H](OC)[C@H]1CCOC1
342082095	ZINC000625330838	mid	5.05	-31.75	1	284.444	1.844	1	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H](OC)[C@H]1CCOC1
342082096	ZINC000625330838	mid	5.21	-32.63	1	284.444	1.844	1	3	8	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H](OC)[C@H]1CCOC1
342082097	ZINC000625330838	mid	5.05	-31.75	1	284.444	1.844	1	3	8	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H](OC)[C@H]1CCOC1
342082098	ZINC000625330877	ref	2.52	-16.57	0	290.385	1.608	1	5	9	CCC[C@H](CNS(=O)(=O)Cc1cc(C)on1)OCC
365621398	ZINC000354678141	high	3.77	-8.57	0	251.355	1.823	1	5	6	COc1ccsc1CNCCc1ccn(C)n1
365621400	ZINC000354678015	ref	4.59	-9.14	0	252.277	1.888	2	3	3	O=C(NCc1cc2ccccc2[nH]1)c1cncnc1
342082099	ZINC000625330877	high	2.16	-49.18	-1	290.385	1.608	0	5	9	CCC[C@H](C[N-]S(=O)(=O)Cc1cc(C)on1)OCC
178305145	ZINC000237283332	ref	8.06	-50.04	1	365.528	1.735	2	6	7	CSCC[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1nnc2ccccn12
178305151	ZINC000237283332	high	6.83	-13.45	0	365.528	1.735	2	7	7	CSCC[C@@H](NC(=O)C[C@@H]1CSCCN1)c1nnc2ccccn12
178305153	ZINC000237276036	ref	6.3	-47.03	1	357.454	1.789	1	3	4	COc1ccc(N2C[C@@H](C(=O)N(C)C3C[C@@H]4CC[C@H](C3)[NH2+]4)CC2=O)cc1
259308679	ZINC000394148202	ref	8.65	-41.89	1	247.382	3.166	1	1	6	CC1(C)OCC[C@H]1[NH2+]CCCCc1ccccc1
342082100	ZINC000625330055	ref	5.25	-37.32	1	266.393	1.077	1	5	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)c1nnnn1C
398249524	ZINC000369100000	ref	-0.55	-55.23	1	236.293	-1.171	2	5	4	CCS(=O)(=O)N[C@@H]1CN[C@@H](C(=O)OC)C1
197596118	ZINC000290102294	ref	3.98	-7.43	0	289.404	3.192	0	5	4	COc1cncc(CN2CCC[C@H]2c2csc(C)n2)c1
365621402	ZINC000354678262	ref	4.72	-5.69	0	297.395	1.631	2	4	4	COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21)[C@H](C)O
365621404	ZINC000354678026	ref	2.89	-14.41	0	281.377	1.185	1	3	4	CO[C@](C)(C(=O)N[C@@H]1CC[S@](=O)C1)c1ccccc1
365621405	ZINC000354677881	ref	5.6	-51.09	1	279.384	1.799	2	3	6	CCC[C@H]([NH2+]C(C)C)C(=O)Nc1cn(C)c(=O)cc1C
365621407	ZINC000354677881	high	4.67	-14.66	0	279.384	1.799	2	4	6	CCC[C@H](NC(C)C)C(=O)Nc1cn(C)c(=O)cc1C
197596119	ZINC000290102294	low	6.55	-33.75	1	289.404	3.192	1	4	4	COc1cncc(C[N@@H+]2CCC[C@H]2c2csc(C)n2)c1
197596120	ZINC000290102294	low	6.34	-33.65	1	289.404	3.192	1	4	4	COc1cncc(C[N@H+]2CCC[C@H]2c2csc(C)n2)c1
365621409	ZINC000354675893	ref	6.32	-35.2	1	295.427	1.234	2	2	4	C[C@@H]1CC[C@H](N(C)C(=O)C(=O)NCC2([NH+](C)C)CCC2)C1
365621410	ZINC000354675893	high	4.78	-4.18	0	295.427	1.234	1	3	4	C[C@@H]1CC[C@H](N(C)C(=O)C(=O)NCC2(N(C)C)CCC2)C1
342597778	ZINC000616984177	ref	4.36	-14.33	0	261.387	1.458	0	3	5	CC[C@H](C)N(CC)C(=O)C[C@H]1CCS(=O)(=O)C1
342597779	ZINC000616983361	ref	1.2	-12.18	0	274.342	1.188	1	4	5	CC[C@H](C)N(CC)C(=O)c1ccc(S(N)(=O)=O)o1
342597780	ZINC000616983480	ref	3.98	-9.55	0	281.356	1.726	2	3	7	CC[C@H](C)N(CC)C(=O)CNC(=O)NCc1ccco1
222609174	ZINC000222563816	ref	11.49	-14.59	0	398.938	4.767	0	4	4	Cc1cc(CN(C(=O)c2ccc3nc(Cl)n(C)c3c2)C2CCCC2)c(C)n1C
365621412	ZINC000354676367	ref	4.76	-18.61	0	281.352	1.494	1	2	3	O=C(N[C@H]1CC[S@@](=O)C1)C1(c2cccc(F)c2)CC1
365621414	ZINC000354678275	ref	5.53	-45.32	1	295.427	1.305	3	2	7	CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC[N@H+]1CC=C(C)CC1
299072342	ZINC000046968855	ref	6.73	-10.51	0	346.258	3.173	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1Cl)C(=O)N(C)C
290622971	ZINC000362376561	ref	7.19	-15.82	0	340.383	2.619	1	5	4	CNC(=O)[C@]1(C)CCN(c2ccc([N+](=O)[O-])c(-c3ccccc3)n2)C1
365621416	ZINC000354678275	mid	5.53	-45.33	1	295.427	1.305	3	2	7	CC[C@H](C)[C@H](NC(C)=O)C(=O)NCC[N@@H+]1CC=C(C)CC1
342597781	ZINC000616983540	ref	6.31	-11.07	0	254.374	1.94	1	2	8	CC[C@@H](C)N(CC)C(=O)CCCNC(=O)C1CC1
295666497	ZINC000130997045	ref	9.26	-15.67	0	349.456	2.823	1	5	5	O=C(NC[C@@H]1CCCS1)C1CCN(c2ccccc2[N+](=O)[O-])CC1
342597782	ZINC000616983703	ref	6.11	-15.69	0	271.39	1.339	0	6	7	CC[C@H](C)N(CC)C(=O)CCSc1nnnn1C
342597783	ZINC000616983132	ref	8.49	-22.58	0	261.329	1.314	0	5	5	CC[C@@H](C)N(CC)C(=O)Cc1nc2ncccn2n1
365621403	ZINC000617368568	ref	4.49	-14.07	0	282.344	0.397	1	6	6	COC[C@H](NC(=O)[C@@H](C)n1cncn1)C1CCOCC1
365621406	ZINC000617367570	ref	2.66	-8.62	0	265.313	0.648	1	5	5	COC[C@H](NC(=O)c1cncnc1)C1CCOCC1
365621408	ZINC000617369339	ref	1.76	-8.48	0	298.339	0.992	1	6	7	COCc1cc(C(=O)N[C@@H](COC)C2CCOCC2)no1
365621411	ZINC000617368455	ref	2.26	-15.28	0	284.356	0.165	1	4	5	COC[C@@H](NC(=O)[C@H]1CCC(=O)N1C)C1CCOCC1
365621413	ZINC000617370044	ref	4.01	-34.88	1	272.389	0.884	2	3	7	CC[C@@H](C(=O)N[C@H](COC)C1CCOCC1)[NH+](C)C
365621415	ZINC000617370044	high	1.92	-6.15	0	272.389	0.884	1	4	7	CC[C@@H](C(=O)N[C@H](COC)C1CCOCC1)N(C)C
365621417	ZINC000617369046	ref	3.38	-36.51	1	258.362	0.494	2	3	6	COC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CCOCC1
365621419	ZINC000617369046	mid	1.02	-7.64	0	258.362	0.494	1	4	6	COC[C@@H](NC(=O)[C@H](C)N(C)C)C1CCOCC1
365621421	ZINC000617371207	ref	2.16	-11.96	0	253.302	0.581	2	4	5	COC[C@H](NC(=O)c1cnc[nH]1)C1CCOCC1
365638762	ZINC000617440069	mid	4.32	-18.85	0	293.356	0.619	2	7	4	Cc1n[nH]c(SCC(=O)N[C@H]2C[C@@H](C)n3ncnc32)n1
342082101	ZINC000625330055	mid	4.22	-35.61	1	266.393	1.077	1	5	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)c1nnnn1C
342082102	ZINC000625330505	ref	2.93	-14.56	0	290.41	1.378	1	5	8	CCO[C@@H](CS(=O)(=O)NCc1ccns1)C1CC1
342082103	ZINC000625330505	high	2.54	-41.4	-1	290.41	1.378	0	5	8	CCO[C@@H](CS(=O)(=O)[N-]Cc1ccns1)C1CC1
365638768	ZINC000617442045	ref	4.96	-24.03	0	283.295	0.985	2	6	2	C[C@H]1C[C@H](NC(=O)c2cnc3[nH]cnc3c2)c2ncnn21
365638770	ZINC000617440197	ref	5.22	-20.37	0	297.322	0.996	1	7	2	C[C@H]1C[C@H](NC(=O)c2cnc3c(cnn3C)c2)c2ncnn21
365638773	ZINC000617442376	ref	1.31	-62.09	-1	262.273	0.451	2	6	2	Cc1n[nH]c(C(=O)N[C@@H]2C[C@@H](C)n3ncnc32)c1[O-]
365638774	ZINC000617440068	ref	4.25	-22.43	0	293.356	0.619	2	7	4	Cc1nc(SCC(=O)N[C@@H]2C[C@H](C)n3ncnc32)n[nH]1
185089811	ZINC000096078141	mid	4.64	-45.37	1	297.349	1.611	2	3	3	OCC[N@H+]1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1
342082104	ZINC000625330650	ref	3.75	-9.56	0	298.408	1.304	1	3	6	CCN(CC)S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
342082105	ZINC000625330770	ref	4.59	-33.77	1	258.406	1.454	1	3	9	CCN(C[C@@H](COC)OC)C[C@H]1CCC[N@@H+]1CC
342082106	ZINC000625330770	mid	4.1	-33.82	1	258.406	1.454	1	3	9	CCN(C[C@@H](COC)OC)C[C@H]1CCC[N@H+]1CC
342082107	ZINC000625330770	mid	4.59	-33.77	1	258.406	1.454	1	3	9	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H](COC)OC
342082108	ZINC000625330770	mid	4.1	-33.82	1	258.406	1.454	1	3	9	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H](COC)OC
214189416	ZINC000337635932	low	3.97	-35.09	1	278.356	0.85	2	3	4	O=C(NCCc1cn2c([nH+]1)CCCC2)N[C@@H]1CCOC1
361822769	ZINC000640340777	mid	5.1	-47.9	-1	277.349	1.971	0	3	0	C[C@H]1COCCN1C(=O)N=c1[n-]sc2ccccc12
398246051	ZINC000650858898	ref	7.39	-42.86	1	297.443	1.927	2	2	4	CC(C)O[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1
214189426	ZINC000337636081	ref	5.73	-6.47	0	284.306	3.284	2	2	3	COc1c(F)cc(F)cc1NC(=O)N[C@H]1CCC[C@H]1C
214189430	ZINC000337634956	ref	6.47	-6.12	0	277.318	3.085	0	3	5	CCN(Cc1cnc(C)nc1)Cc1c(F)cccc1F
214189432	ZINC000337634416	ref	2.03	-16.9	0	272.251	0.776	2	4	4	Cc1cc(O)cc(=O)n1CC(=O)NC1(C(F)F)CC1
214189437	ZINC000337632771	ref	1.08	-21.86	0	287.36	-0.04	2	4	7	COCCOCCNC(=O)N1CCC[C@H](NC(C)=O)C1
214189441	ZINC000337632535	ref	7.67	-7.85	0	275.274	3.193	2	2	3	C[C@H]1CCC[C@H]1CC(=O)Nc1nc(C(F)(F)F)c[nH]1
342082109	ZINC000625330173	ref	1.5	-8.89	0	267.391	1.147	1	4	11	CCC[C@@H](CNS(=O)(=O)CCOCC)OCC
342082110	ZINC000625327908	ref	1.81	-38.49	1	269.341	1.488	2	4	8	OCC[C@H]([NH2+]CCOC1CCOCC1)c1ccco1
214189442	ZINC000337632535	mid	7.59	-6.93	0	275.274	3.193	2	2	3	C[C@H]1CCC[C@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1
214189445	ZINC000337633435	ref	5.38	-8.24	0	285.428	2.45	1	3	9	CC[C@@H](CC1CCCCC1)C(=O)N(C)CCOCCO
343994313	ZINC000599271618	ref	3.13	-7.5	0	279.34	1.264	0	6	5	COC(=O)c1cnc(CN(C)C[C@H]2CCCCO2)cn1
214189450	ZINC000337635191	ref	0.5	-12.07	0	285.25	0.431	3	4	5	O=C(CNC(=O)c1ncccc1O)NC1(C(F)F)CC1
214189452	ZINC000337635191	mid	1.5	-50.25	-1	285.25	0.431	2	4	5	O=C(CNC(=O)c1ncccc1[O-])NC1(C(F)F)CC1
214189455	ZINC000337635547	ref	1.79	-16.52	0	270.333	-0.158	2	5	8	Cc1nccn1CCNC(=O)N(C)CCOCCO
214189458	ZINC000337635547	mid	2.27	-38.36	1	270.333	-0.158	2	4	8	Cc1[nH+]ccn1CCNC(=O)N(C)CCOCCO
214189460	ZINC000337632912	ref	0.11	-11.49	0	263.313	0.042	3	3	8	COC[C@@H](C)CNC(=O)N[C@@H](C)C(=O)NCCF
214189463	ZINC000337634310	ref	-2.18	-11.09	0	298.343	0.37	4	5	7	C[C@H](O)CC(C)(C)CNC(=O)NCc1cc(C(N)=O)no1
214189468	ZINC000337632819	ref	1.99	-15.21	0	286.372	0.453	2	4	7	CN(CCOCCO)C(=O)NC[C@H]1CC12CCOCC2
214189472	ZINC000337636065	ref	7.98	-10.14	0	291.391	2.272	0	3	6	CC[C@H](C)OCC(=O)N1CCOC[C@@H]1Cc1ccccc1
214189475	ZINC000337634888	ref	7.58	-13.62	0	283.318	2.284	0	2	6	CCc1cccc(CC(=O)N2CC(OCC(F)F)C2)c1
178291296	ZINC000180221527	ref	0.41	-10.14	0	222.244	1.009	2	4	3	Cc1cc2c(cc1N[C@@H](C)C(N)=O)OCO2
365621418	ZINC000354678275	mid	5.09	-16.73	0	295.427	1.305	2	3	7	CC[C@H](C)[C@H](NC(C)=O)C(=O)NCCN1CC=C(C)CC1
365621420	ZINC000354678705	ref	3.01	-8.02	0	277.299	1.765	2	4	6	CCc1cccc(F)c1CNCc1cc(C(N)=O)no1
365621422	ZINC000354678705	low	3.76	-51.0	1	277.299	1.765	2	3	6	CCc1cccc(F)c1C[NH2+]Cc1cc(C(N)=O)no1
365621423	ZINC000354678211	ref	3.03	-15.91	0	293.396	1.788	2	5	5	Cc1csc([C@H](C)NC(=O)NCCc2ccn(C)n2)n1
365621424	ZINC000354676313	ref	5.7	-10.0	0	288.395	1.95	0	4	2	C[C@H]1C[C@@H](C)CN1C(=O)C1CCN(c2cnccn2)CC1
365621425	ZINC000354678803	ref	3.75	-14.83	0	298.305	1.184	1	4	7	CCOC(=O)[C@@H](C)CNC(=O)[C@@H](C)N(C)CC(F)(F)F
365621426	ZINC000354677658	ref	4.01	-17.36	0	295.335	1.395	2	5	7	CCOC(=O)[C@@H](C)CNC(=O)[C@@H](OC)c1ccc(O)cc1
343994314	ZINC000139350101	ref	4.68	-5.27	0	112.172	1.621	0	1	1	CC(=O)[C@]1(C)C[C@H]1C
365621427	ZINC000354676623	ref	9.2	-46.84	1	282.453	1.93	1	2	5	C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCSC2)C1
365621428	ZINC000354676623	mid	9.26	-47.26	1	282.453	1.93	1	2	5	C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2CCSC2)C1
365621429	ZINC000354676806	ref	3.57	-47.28	1	265.357	1.934	2	3	5	C[C@@H]([NH2+]Cc1cc(C(N)=O)no1)C1C(C)(C)C1(C)C
178291291	ZINC000236966477	high	5.28	-19.46	0	364.465	1.354	2	4	7	CC[C@@H](C)[C@@H](N)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
197596132	ZINC000290101420	ref	0.52	-11.6	0	290.41	0.98	2	4	5	CCNS(=O)(=O)NC[C@]1(C)OCCc2sccc21
365621430	ZINC000354676806	high	2.43	-6.36	0	265.357	1.934	2	4	5	C[C@@H](NCc1cc(C(N)=O)no1)C1C(C)(C)C1(C)C
365621431	ZINC000354678269	ref	5.58	-44.06	1	295.427	1.305	3	2	7	CC[C@H](C)[C@@H](NC(C)=O)C(=O)NCC[N@H+]1CC=C(C)CC1
365621432	ZINC000354678269	mid	5.58	-44.07	1	295.427	1.305	3	2	7	CC[C@H](C)[C@@H](NC(C)=O)C(=O)NCC[N@@H+]1CC=C(C)CC1
178291294	ZINC000236966893	ref	4.8	-51.1	1	355.504	1.75	2	3	9	CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@@H](C)C[NH2+]C)cc1
178291295	ZINC000236964773	ref	3.77	-51.13	1	355.504	1.707	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc1
365621433	ZINC000354678269	mid	3.45	-12.27	0	295.427	1.305	2	3	7	CC[C@H](C)[C@@H](NC(C)=O)C(=O)NCCN1CC=C(C)CC1
365621434	ZINC000354678807	ref	3.76	-14.78	0	298.305	1.184	1	4	7	CCOC(=O)[C@H](C)CNC(=O)[C@@H](C)N(C)CC(F)(F)F
346818903	ZINC000611565820	ref	5.82	-13.9	0	286.278	1.763	1	3	3	CCc1[nH]c(C(=O)N2CC(F)(F)C2)c(C)c1C(=O)OC
365638766	ZINC000625087703	ref	7.18	-16.52	0	312.454	2.202	1	3	8	CCCC(=O)NC[C@H]1CCCN(C(=O)[C@H](OCC)C(C)C)C1
398246053	ZINC000390772755	mid	6.81	-4.93	0	237.343	2.908	1	2	4	Fc1cc(C2CC2)ccc1CNC1CSC1
295666501	ZINC000160209566	ref	5.56	-13.81	0	346.518	2.025	1	4	2	O=C(NC[C@@H]1CCCS1(=O)=O)N1CCSC2(CCCCC2)C1
343994315	ZINC000622825077	ref	6.15	-6.94	0	239.359	2.498	1	2	6	CC[C@@H]1CCC[C@@H]1NC(=O)C1(CCOC)CC1
365621435	ZINC000172811438	ref	5.5	-13.32	0	276.336	1.718	2	3	5	CCO[C@H]1C[C@H]1C(=O)Nc1ccc(C)cc1C(=O)NC
365621436	ZINC000565282134	ref	6.07	-7.1	0	276.365	1.451	0	6	1	N#Cc1cc(N2CCSC3(CCOCC3)C2)ncn1
365621437	ZINC000172813078	ref	2.57	-11.54	0	251.315	1.624	1	6	3	CCn1nc(C)c(NC(=O)c2csnn2)c1C
365621438	ZINC000172816778	ref	5.48	-16.42	0	275.356	1.825	1	5	5	CCn1nc(C)c(NC(=O)CCc2cnn(C)c2)c1C
365621439	ZINC000172810345	ref	4.87	-41.57	1	256.375	1.843	2	4	6	CC[N@H+](CC(=O)Nc1nncs1)[C@H](C)C(C)C
365621440	ZINC000172810345	mid	5.08	-42.76	1	256.375	1.843	2	4	6	CC[N@@H+](CC(=O)Nc1nncs1)[C@H](C)C(C)C
342082111	ZINC000625327908	mid	0.71	-6.85	0	269.341	1.488	2	5	8	OCC[C@H](NCCOC1CCOCC1)c1ccco1
342082112	ZINC000625330784	ref	3.66	-7.96	0	267.417	1.413	1	2	6	CCN1CC[C@H](N(CC)C[C@@H]2CCC[N@@H+]2CC)C1=O
342082113	ZINC000625330784	mid	6.27	-29.78	1	267.417	1.413	1	2	6	CCN1CC[C@H](N(CC)C[C@@H]2CCC[N@H+]2CC)C1=O
342082114	ZINC000625330784	high	3.66	-7.96	0	267.417	1.413	0	3	6	CCN1CC[C@H](N(CC)C[C@@H]2CCCN2CC)C1=O
342082115	ZINC000625330836	ref	9.63	-78.75	2	264.417	1.769	1	3	7	CCN(CCc1cncn1C)C[C@H]1CCC[N@@H+]1CC
342082116	ZINC000625330836	mid	8.44	-76.83	2	264.417	1.769	1	3	7	CCN(CCc1cncn1C)C[C@H]1CCC[N@H+]1CC
342082117	ZINC000625330836	mid	7.92	-43.57	1	264.417	1.769	1	2	7	CCN(CCc1c[nH+]cn1C)C[C@H]1CCC[N@@H+]1CC
342082118	ZINC000625330836	mid	7.63	-43.68	1	264.417	1.769	1	2	7	CCN(CCc1c[nH+]cn1C)C[C@H]1CCC[N@H+]1CC
342082119	ZINC000625330836	high	7.92	-43.57	1	264.417	1.769	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)CCc1cncn1C
342082120	ZINC000625330836	high	7.63	-43.68	1	264.417	1.769	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCc1cncn1C
342082121	ZINC000625331002	ref	1.98	-15.26	0	279.402	1.29	1	4	9	CCC[C@H](CNS(=O)(=O)C[C@H]1CCCO1)OCC
342082122	ZINC000625330487	ref	2.22	-46.22	1	265.357	1.921	1	4	4	COc1cncc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)n1
342082123	ZINC000625330487	high	1.08	-6.7	0	265.357	1.921	1	5	4	COc1cncc(CN[C@@H]2CC(C)(C)OC2(C)C)n1
342082124	ZINC000625330503	ref	2.5	-14.22	0	290.41	1.378	1	5	8	CCO[C@H](CS(=O)(=O)NCc1ccns1)C1CC1
342082125	ZINC000625330503	high	2.12	-41.59	-1	290.41	1.378	0	5	8	CCO[C@H](CS(=O)(=O)[N-]Cc1ccns1)C1CC1
365621441	ZINC000172810345	high	3.31	-14.91	0	256.375	1.843	1	5	6	CCN(CC(=O)Nc1nncs1)[C@H](C)C(C)C
178291297	ZINC000236964773	high	3.44	-12.57	0	355.504	1.707	2	4	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H](N)C(C)(C)C)cc1
178291298	ZINC000236967013	ref	4.8	-51.18	1	355.504	1.75	2	3	9	CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)[C@H](C)C[NH2+]C)cc1
178291299	ZINC000236968156	ref	6.59	-54.69	-1	351.794	1.781	1	7	7	CC[C@@H](C(=O)NC[C@@H](C)C(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
178291301	ZINC000236985231	ref	4.65	-60.99	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1
178291303	ZINC000236970636	ref	8.38	-57.61	0	352.456	1.806	1	4	5	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H]([NH+]2CCCC2)C1
178291305	ZINC000236970636	mid	6.0	-51.81	-1	352.456	1.806	0	5	5	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CC[C@@H](N2CCCC2)C1
365621442	ZINC000172816513	ref	6.06	-15.61	0	299.396	1.755	1	6	7	CCn1nc(C)c(NC(=O)CCSCC(=O)OC)c1C
178291307	ZINC000236971243	ref	4.77	-56.99	1	367.515	1.755	2	3	7	CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)ccc1C
178291308	ZINC000236969457	ref	2.57	-64.72	1	359.879	1.544	1	3	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1Cl
282120081	ZINC000123549489	ref	7.78	-14.57	0	314.418	2.635	1	7	2	Cc1nc(N[C@H]2CCc3nc(C)nn3C2)c2c(C)csc2n1
299072343	ZINC000358088121	mid	3.28	-44.31	1	301.456	1.05	4	3	6	CSC[C@@](C)(O)CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1
299072345	ZINC000358088121	high	0.78	-8.37	0	301.456	1.05	3	4	6	CSC[C@@](C)(O)CNC(=O)N[C@H](C)C1=CCN(C)CC1
365621444	ZINC000172804433	ref	4.44	-47.99	1	262.309	1.078	2	3	3	O=C1O[C@@H](C[N@H+]2CC[C@H](O)C2)CN1c1ccccc1
282120095	ZINC000266363325	ref	6.17	-13.55	0	269.308	2.155	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1nccc3occc13)CC2
365621445	ZINC000172804433	mid	4.47	-48.26	1	262.309	1.078	2	3	3	O=C1O[C@@H](C[N@@H+]2CC[C@H](O)C2)CN1c1ccccc1
365621446	ZINC000172804433	high	1.98	-13.08	0	262.309	1.078	1	4	3	O=C1O[C@@H](CN2CC[C@H](O)C2)CN1c1ccccc1
178291310	ZINC000236982981	ref	3.12	-54.85	1	373.525	1.627	3	5	9	CC[NH2+]CCNC(=O)c1sccc1S(=O)(=O)NCc1cccs1
365621448	ZINC000172811432	ref	4.26	-10.33	0	276.336	1.718	2	3	5	CCO[C@@H]1C[C@H]1C(=O)Nc1ccc(C)cc1C(=O)NC
349535605	ZINC000093299741	ref	1.09	-5.72	0	268.338	0.916	2	4	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1O
365621450	ZINC000172815855	ref	3.84	-17.05	0	251.286	1.347	1	5	3	CCn1nc(C)c(NC(=O)C2=COCCO2)c1C
342597784	ZINC000590813167	ref	5.35	-19.8	0	290.348	1.557	1	5	4	Cc1ccnc(NC(=O)CN(C)C(=O)c2cscn2)c1
342597785	ZINC000590813144	ref	3.78	-49.49	1	263.341	1.39	2	2	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1
398249525	ZINC000100412137	ref	9.5	-11.65	0	225.292	3.152	0	4	8	CCCCCCCCn1ccc([N+](=O)[O-])n1
342597786	ZINC000590807324	ref	2.09	-37.69	1	288.351	1.687	2	4	6	CC[N@H+](C)[C@@H](C(=O)NCc1nnc(C)o1)c1ccccc1
185089813	ZINC000096078141	high	2.65	-7.61	0	297.349	1.611	1	4	3	OCCN1CCC(F)(F)[C@]2(CCN(c3cccnc3)C2)C1
361822776	ZINC000629301438	ref	5.34	-40.8	-1	263.359	1.3	0	4	6	CC[C@H](C(=O)[O-])N(C)S(=O)(=O)C1(C(C)C)CC1
361822781	ZINC000629301402	ref	6.45	-56.32	-1	277.386	1.547	0	4	7	CC(C)CN(CC(=O)[O-])S(=O)(=O)C1(C(C)C)CC1
342597787	ZINC000590807324	mid	2.08	-38.2	1	288.351	1.687	2	4	6	CC[N@@H+](C)[C@@H](C(=O)NCc1nnc(C)o1)c1ccccc1
361822787	ZINC000634170647	ref	2.74	-7.64	0	252.339	1.437	1	4	2	Cc1nscc1C(=O)N1C[C@H](O)C[C@@H]1C1CC1
342597788	ZINC000590807324	mid	-0.23	-10.32	0	288.351	1.687	1	5	6	CCN(C)[C@@H](C(=O)NCc1nnc(C)o1)c1ccccc1
361822792	ZINC000629299159	ref	6.72	-56.1	-1	289.397	1.69	0	4	4	CC(C)C1(S(=O)(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])CC1
342597789	ZINC000590807485	ref	3.68	-14.5	0	289.335	1.944	2	4	3	CCOc1ccc(C#N)cc1NC(=O)N1CC[C@@H](O)[C@H]1C
361822795	ZINC000640340722	ref	2.8	-50.29	-1	278.381	1.79	3	2	3	C[C@@H](CNC(=O)N=c1[nH]sc2ccccc12)[NH+](C)C
361822801	ZINC000640340722	mid	5.14	-54.31	0	278.381	1.79	2	2	3	C[C@@H](CNC(=O)N=c1[n-]sc2ccccc12)[NH+](C)C
361822806	ZINC000640340722	high	2.8	-50.29	-1	278.381	1.79	1	3	3	C[C@@H](CNC(=O)N=c1[n-]sc2ccccc12)N(C)C
361822810	ZINC000629301354	ref	5.57	-57.49	-1	261.343	1.077	0	4	7	C=CCN(CC(=O)[O-])S(=O)(=O)C1(C(C)C)CC1
361822816	ZINC000634170638	ref	2.78	-10.02	0	252.339	1.437	1	4	2	Cc1nscc1C(=O)N1C[C@H](O)C[C@H]1C1CC1
361822822	ZINC000439617822	ref	5.47	-39.49	1	295.427	1.583	3	2	6	C=C(C)C[NH+]1CCC(NC(=O)N(CCO)C2CCC2)CC1
361822829	ZINC000439617822	high	3.23	-9.81	0	295.427	1.583	2	3	6	C=C(C)CN1CCC(NC(=O)N(CCO)C2CCC2)CC1
361822835	ZINC000572485412	ref	5.7	-10.29	0	263.341	1.664	1	4	5	COCC1(CC(=O)Nc2c3c(nn2C)CCC3)CC1
361822840	ZINC000439624038	ref	4.52	-43.17	1	283.397	1.873	2	4	5	CO[C@@H]1C[C@H]([NH2+][C@@H](C)C(=O)Nc2nccs2)C1(C)C
361822848	ZINC000439624038	high	3.44	-14.25	0	283.397	1.873	2	5	5	CO[C@@H]1C[C@H](N[C@@H](C)C(=O)Nc2nccs2)C1(C)C
361822853	ZINC000629299157	ref	6.49	-55.7	-1	289.397	1.69	0	4	4	CC(C)C1(S(=O)(=O)N2CC[C@@H](C)C[C@H]2C(=O)[O-])CC1
398246055	ZINC000650858898	mid	6.95	-43.45	1	297.443	1.927	2	2	4	CC(C)O[C@H]1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)C1
398246059	ZINC000650858898	high	4.79	-8.1	0	297.443	1.927	1	3	4	CC(C)O[C@H]1CCCN(C(=O)NC[C@@H]2CCCN(C)C2)C1
398246064	ZINC000650858151	ref	3.16	-38.74	1	266.345	1.302	2	3	5	CN(CC[NH+]1CCCCC1)C(=O)NCc1cocn1
398246068	ZINC000650858151	high	0.75	-11.59	0	266.345	1.302	1	4	5	CN(CCN1CCCCC1)C(=O)NCc1cocn1
398246071	ZINC000650858889	ref	2.85	-12.74	0	285.413	1.715	2	4	6	Cc1nc(C)c(CCNC(=O)N(C)[C@@H](C)CCO)s1
398246075	ZINC000650859482	ref	5.81	-40.16	1	283.416	1.443	3	2	7	C[C@H](COCC1CC1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1
214189419	ZINC000293639517	ref	2.41	-19.32	0	355.372	0.359	2	6	8	CC(=O)C1(C(=O)NCCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1
365621443	ZINC000623046909	ref	2.87	-16.24	0	304.394	1.3	2	3	3	C[C@@H](CC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)NC(N)=O
365621447	ZINC000623046148	ref	4.1	-15.21	0	317.38	1.091	1	3	5	CN1CCN(CC(=O)N[C@H](C(F)F)C2CCCCC2)CC1=O
398246077	ZINC000650859482	mid	5.37	-40.72	1	283.416	1.443	3	2	7	C[C@H](COCC1CC1)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1
365621449	ZINC000623047170	ref	6.74	-8.51	0	301.346	1.475	0	5	5	COCCn1nc(C(=O)N(C)c2ccccc2C)ccc1=O
398246081	ZINC000650859482	high	3.41	-6.82	0	283.416	1.443	2	3	7	C[C@H](COCC1CC1)NC(=O)NC[C@@H]1CCCN(C)C1
178291318	ZINC000180426543	ref	4.76	-10.19	0	246.27	1.464	1	6	3	Cc1cc2c(cc1NCc1ncnn1C)OCO2
214189424	ZINC000293648537	ref	2.54	-23.37	0	374.441	0.796	3	4	4	Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCCNC(=O)[C@@H]1CC(C)C
398246084	ZINC000650858923	ref	4.97	-7.98	0	270.373	1.623	1	3	7	CCN(C(=O)NCCOCC1CC1)[C@@H]1CCCOC1
398246089	ZINC000650859467	ref	6.79	-46.06	1	287.354	1.769	2	1	2	C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CC3(F)F)C1
398246092	ZINC000650859467	mid	7.23	-45.51	1	287.354	1.769	2	1	2	C[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CC3(F)F)C1
398246094	ZINC000650859467	high	4.85	-10.62	0	287.354	1.769	1	2	2	CN1CCC[C@@H](CNC(=O)N2CC[C@@]3(C2)CC3(F)F)C1
398246098	ZINC000650859179	ref	0.91	-12.14	0	289.376	1.322	3	4	7	Cc1nc(C)c(CCNC(=O)N[C@@H](CO)CCF)s1
398246102	ZINC000650858897	ref	6.95	-43.64	1	297.443	1.927	2	2	4	CC(C)O[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)C1
398246107	ZINC000650858897	mid	7.38	-43.03	1	297.443	1.927	2	2	4	CC(C)O[C@H]1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C)C2)C1
398246108	ZINC000650858897	high	4.8	-8.13	0	297.443	1.927	1	3	4	CC(C)O[C@H]1CCCN(C(=O)NC[C@H]2CCCN(C)C2)C1
197596154	ZINC000290103114	ref	7.44	-10.27	0	280.331	3.109	0	5	3	CCn1cc(-c2nc(-c3ccc4c(c3)CCC4)no2)cn1
342597790	ZINC000590807323	ref	2.07	-39.44	1	288.351	1.687	2	4	6	CC[N@H+](C)[C@H](C(=O)NCc1nnc(C)o1)c1ccccc1
342597791	ZINC000590807323	mid	2.09	-39.02	1	288.351	1.687	2	4	6	CC[N@@H+](C)[C@H](C(=O)NCc1nnc(C)o1)c1ccccc1
365621451	ZINC000623047823	ref	5.98	-11.69	0	304.39	1.721	1	3	4	Cc1ccccc1N(C)C(=O)CCC(=O)N1CCC(O)CC1
365621454	ZINC000623046392	ref	4.45	-19.27	0	309.378	1.894	1	3	6	O=C(CS(=O)(=O)C1CC1)N[C@H](C(F)F)C1CCCCC1
282120083	ZINC000449149384	ref	7.64	-53.05	-1	292.379	2.41	1	4	7	CC(C)(C)CC[C@@H](NC(=O)CCc1ccncc1)C(=O)[O-]
365621456	ZINC000623047195	ref	5.92	-13.76	0	315.417	1.77	1	3	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H]1CCC(=O)NC1
365621458	ZINC000623046908	ref	2.87	-15.37	0	304.394	1.3	2	3	3	C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H](C)NC(N)=O
365621461	ZINC000623049190	ref	2.51	-14.48	0	321.337	1.392	2	7	5	CCc1cc(NC(=O)NC[C@@H]2CC[C@H](c3nc(C)no3)O2)no1
282120088	ZINC000449149321	ref	6.18	-52.47	-1	298.427	2.255	2	3	6	C[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
365621464	ZINC000623049189	ref	-0.76	-19.24	0	307.31	1.716	2	7	4	Cc1noc([C@H]2CC[C@@H](CNC(=O)Nc3ncc(C)o3)O2)n1
365621467	ZINC000623048949	ref	1.78	-18.02	0	320.353	1.462	2	7	4	Cc1cc(NC(=O)NC[C@@H]2CC[C@H](c3nc(C)no3)O2)n(C)n1
282120091	ZINC000449149321	mid	7.95	-54.32	0	298.427	2.255	2	3	6	C[C@H]1CC[C@@H](C)[N@H+]1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
365621470	ZINC000623045233	ref	1.78	-16.69	0	312.382	1.254	2	3	6	C[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C(F)F)C1CCCCC1
365621471	ZINC000623046015	ref	3.91	-47.16	-1	318.393	1.874	1	4	5	CN=c1[n-]nc(CC(=O)N[C@H](C(F)F)C2CCCCC2)s1
365621473	ZINC000623046015	low	4.01	-12.44	0	318.393	1.874	2	4	5	CN=c1[nH]nc(CC(=O)N[C@H](C(F)F)C2CCCCC2)s1
365621475	ZINC000623046998	ref	2.73	-12.24	0	313.357	1.974	2	4	1	C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(O)cc(=O)[nH]1
365621476	ZINC000623046825	ref	6.31	-10.1	0	301.39	1.332	0	3	1	C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1CCN(C)C1=O
365621478	ZINC000623046942	ref	5.21	-14.96	0	321.402	1.85	1	3	4	Cc1ccccc1N(C)C(=O)c1cc(S(=O)(=O)N(C)C)c[nH]1
342597792	ZINC000590807323	mid	-0.28	-10.35	0	288.351	1.687	1	5	6	CCN(C)[C@H](C(=O)NCc1nnc(C)o1)c1ccccc1
365621480	ZINC000623046940	ref	7.88	-19.4	0	301.371	1.934	0	5	2	Cc1ccccc1N(C)C(=O)c1cnc2n(c1=O)CCS2
398246057	ZINC000076748369	ref	10.34	-42.3	1	242.366	3.907	1	1	4	N#CCCC[N@@H+]1CCCCC[C@H]1c1ccccc1
282120084	ZINC000533444427	ref	5.09	-50.69	-1	297.362	1.844	1	3	4	Cc1ccc(CCNC(=O)N=c2ccc(C3CC3)n[n-]2)cn1
282120089	ZINC000533444427	low	4.46	-16.87	0	297.362	1.844	2	3	4	Cc1ccc(CCNC(=O)N=c2ccc(C3CC3)n[nH]2)cn1
365621452	ZINC000172815873	ref	4.84	-47.18	1	290.392	1.887	2	4	6	C[NH+](C)CCCNC(=O)c1cnc(-c2ccncc2)s1
365621453	ZINC000172807735	ref	3.28	-18.59	0	283.378	1.662	1	6	5	CS(=O)(=O)CCNc1nc(-c2ccccc2)ns1
282120092	ZINC000533443168	ref	4.67	-15.58	0	264.329	1.046	1	5	5	COCCC1(C(=O)N[C@@H]2CCCn3ncnc32)CC1
365621455	ZINC000172805710	ref	5.92	-40.14	1	292.383	1.482	2	4	4	Cc1cc(NC(=O)CCN2CC[N@@H+]3CCCC[C@@H]3C2)no1
178291312	ZINC000236982981	high	2.73	-78.11	0	373.525	1.627	2	5	9	CC[NH2+]CCNC(=O)c1sccc1S(=O)(=O)[N-]Cc1cccs1
342082126	ZINC000625330785	ref	4.63	-8.63	0	267.417	1.413	1	2	6	CCN1CC[C@H](N(CC)C[C@H]2CCC[N@@H+]2CC)C1=O
365621457	ZINC000172805710	mid	5.64	-40.06	1	292.383	1.482	2	4	4	Cc1cc(NC(=O)CCN2CC[N@H+]3CCCC[C@@H]3C2)no1
365621459	ZINC000172805710	mid	5.82	-45.0	1	292.383	1.482	2	4	4	Cc1cc(NC(=O)CC[N@@H+]2CCN3CCCC[C@@H]3C2)no1
192038085	ZINC000418461958	high	1.71	-51.0	1	242.367	0.317	2	2	7	C[C@H](C[NH3+])CNC(=O)N(C)CCN(C)C1CC1
365621460	ZINC000172805710	mid	5.35	-46.57	1	292.383	1.482	2	4	4	Cc1cc(NC(=O)CC[N@H+]2CCN3CCCC[C@@H]3C2)no1
365621462	ZINC000172805710	high	3.39	-8.61	0	292.383	1.482	1	5	4	Cc1cc(NC(=O)CCN2CCN3CCCC[C@@H]3C2)no1
365621463	ZINC000172811472	ref	4.26	-16.84	0	276.336	1.754	1	3	5	COC[C@@H]1CCCN(C(=O)c2ccc(NC=O)cc2)C1
343994317	ZINC000139316139	ref	3.31	-39.52	1	191.234	1.485	1	3	3	Cc1ccc([C@@H]([NH3+])Cn2cccn2)o1
365621465	ZINC000172812480	ref	6.18	-37.17	1	291.395	1.678	3	2	5	CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(C)cc1=O
365621466	ZINC000172812480	mid	3.91	-15.16	0	291.395	1.678	3	2	5	CC[C@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c(C)cc1=O
282120098	ZINC000533443675	ref	4.24	-7.8	0	255.358	1.733	1	3	6	COCCC1(C(=O)N[C@H]2C[C@H](OC)C2(C)C)CC1
365621468	ZINC000172812480	high	3.91	-15.16	0	291.395	1.678	2	3	5	CC[C@H]1CCCCN1CCNC(=O)c1c[nH]c(C)cc1=O
136228529	ZINC000282815694	ref	-0.64	-13.9	0	245.242	-0.911	2	6	2	Cn1nnc2cc(C(=O)NCC#CCO)cnc21
365621469	ZINC000172814253	ref	3.48	-18.4	0	255.318	1.121	1	5	7	CCn1nc(C)c(NC(=O)COCCOC)c1C
365621472	ZINC000172811426	ref	4.25	-10.18	0	276.336	1.718	2	3	5	CCO[C@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1C(=O)NC
365621474	ZINC000172819568	ref	3.25	-17.2	0	269.37	1.304	1	4	6	CCCc1ncc(C(=O)NCCC(=O)N(C)C)s1
343994318	ZINC000599271618	mid	5.11	-45.31	1	279.34	1.264	1	5	5	COC(=O)c1cnc(C[N@H+](C)C[C@H]2CCCCO2)cn1
365621477	ZINC000565289211	ref	4.48	-13.86	0	285.347	1.48	2	4	6	N#Cc1ccncc1C(=O)N[C@H](C1CC1)[C@@H](CO)C1CC1
365621479	ZINC000172818406	ref	2.94	-8.62	0	267.325	1.615	1	4	8	COCCC(=O)NC[C@@H](C)Oc1cccc(OC)c1
343994322	ZINC000599271618	mid	5.55	-44.11	1	279.34	1.264	1	5	5	COC(=O)c1cnc(C[N@@H+](C)C[C@H]2CCCCO2)cn1
349535606	ZINC000258939878	mid	7.03	-7.44	0	214.312	2.697	1	2	4	Cc1ccc(CNCC2(C#N)CC2)c(C)c1
365621482	ZINC000567750811	ref	3.31	-12.06	0	293.363	1.928	3	4	6	COc1cccc(C(=O)N[C@H](C2CC2)C(C)(C)CO)c1O
185089815	ZINC000096077973	ref	6.16	-39.73	1	294.42	2.075	1	3	4	COCC[N@@H+]1CCC12CCN(C(=O)c1ccsc1)CC2
365621485	ZINC000567750811	high	4.38	-58.6	-1	293.363	1.928	2	4	6	COc1cccc(C(=O)N[C@H](C2CC2)C(C)(C)CO)c1[O-]
282120085	ZINC000130259487	ref	8.08	-84.92	2	296.459	1.452	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1
282120101	ZINC000187800708	ref	8.73	-43.0	1	305.397	2.406	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(F)ccc32)C1
282120116	ZINC000130404228	ref	9.61	-41.62	1	315.461	3.002	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)c3ccccc32)C1
197596166	ZINC000290102740	ref	-0.29	-9.19	0	276.383	0.59	2	4	4	CNS(=O)(=O)NC[C@@]1(C)OCCc2sccc21
197596167	ZINC000290102232	ref	7.57	-26.16	0	278.396	2.552	1	3	8	CCCCCNC(=O)CCCn1c(C)cc(=O)cc1C
342082127	ZINC000625330785	mid	5.7	-29.22	1	267.417	1.413	1	2	6	CCN1CC[C@H](N(CC)C[C@H]2CCC[N@H+]2CC)C1=O
342082128	ZINC000625330785	high	4.63	-8.63	0	267.417	1.413	0	3	6	CCN1CC[C@H](N(CC)C[C@H]2CCCN2CC)C1=O
342082129	ZINC000625330851	ref	8.94	-44.41	1	250.346	1.34	1	4	6	CCO[C@H](C[N@@H+]1CC[C@@H](n2cncn2)C1)C1CC1
342082130	ZINC000625330851	mid	8.81	-45.27	1	250.346	1.34	1	4	6	CCO[C@H](C[N@H+]1CC[C@@H](n2cncn2)C1)C1CC1
342082131	ZINC000625328017	ref	1.08	-6.28	0	279.34	1.328	0	6	3	C1CC(c2nc(CN3CCO[C@]4(CCOC4)C3)no2)C1
342082132	ZINC000625330852	ref	9.09	-45.6	1	250.346	1.34	1	4	6	CCO[C@@H](C[N@@H+]1CC[C@@H](n2cncn2)C1)C1CC1
342082133	ZINC000625330852	mid	9.06	-44.19	1	250.346	1.34	1	4	6	CCO[C@@H](C[N@H+]1CC[C@@H](n2cncn2)C1)C1CC1
214189427	ZINC000278492439	ref	7.73	-8.96	0	302.378	2.339	1	6	6	C[C@H](CCc1ccco1)Nc1cc(N2CCOCC2)ncn1
214189429	ZINC000278492439	low	8.21	-34.9	1	302.378	2.339	1	5	6	C[C@H](CCc1ccco1)Nc1cc(N2CCOCC2)nc[nH+]1
214189431	ZINC000278492439	low	8.08	-33.73	1	302.378	2.339	1	5	6	C[C@H](CCc1ccco1)Nc1cc(N2CCOCC2)[nH+]cn1
214189434	ZINC000278491910	ref	6.4	-42.5	1	305.422	1.875	2	3	6	CCc1ccnc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)c1
214189435	ZINC000278491910	mid	6.37	-40.9	1	305.422	1.875	2	3	6	CCc1ccnc(C(=O)NCCC[N@H+]2CCCO[C@H](C)C2)c1
349535608	ZINC000594973439	ref	8.26	-44.47	1	285.428	2.759	1	3	7	COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@H]1C
214189436	ZINC000278491910	high	4.18	-8.39	0	305.422	1.875	1	4	6	CCc1ccnc(C(=O)NCCCN2CCCO[C@H](C)C2)c1
349535613	ZINC000594971104	ref	9.76	-45.72	1	273.376	2.502	1	2	4	COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C
349535617	ZINC000594971329	ref	4.09	-8.32	0	294.392	2.52	1	5	8	CSCc1cnc(CNCCO[C@H]2CC2(F)F)s1
349535623	ZINC000594971329	mid	5.52	-45.11	1	294.392	2.52	1	4	8	CSCc1cnc(C[NH2+]CCO[C@H]2CC2(F)F)s1
342597793	ZINC000590804837	ref	6.17	-44.47	1	293.367	1.853	3	3	5	COC(=O)c1cccc(NC(=O)NC[C@H](C)[NH+](C)C)c1C
398246061	ZINC000076748369	mid	9.86	-43.78	1	242.366	3.907	1	1	4	N#CCCC[N@H+]1CCCCC[C@H]1c1ccccc1
349535625	ZINC000594970147	ref	3.77	-52.38	1	292.857	2.576	1	3	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1
349535629	ZINC000594970147	mid	2.59	-13.19	0	292.857	2.576	1	4	4	C[S@](=O)[C@H]1CCC[C@@H](NCc2ncc(Cl)s2)C1
398246065	ZINC000390775249	ref	0.71	-43.95	1	210.281	0.734	1	4	2	Cc1noc([C@H](C)N2CCC[NH2+]CC2)n1
214189438	ZINC000278492048	ref	9.7	-11.6	0	304.35	2.724	1	5	5	CCOC[C@@H]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)C1
214189440	ZINC000278492253	ref	8.3	-17.69	0	318.417	3.042	1	3	5	CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C)cc(OC)c1C
282120093	ZINC000449149321	high	6.18	-52.47	-1	298.427	2.255	1	4	6	C[C@H]1CC[C@@H](C)N1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
192038087	ZINC000418429933	ref	4.25	-49.06	1	241.379	1.944	2	1	5	CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC1(C)C
230233935	ZINC000331067912	ref	1.59	-23.63	0	285.344	-1.046	2	4	6	CCN1CCN(CC(=O)NC[C@@](C)(O)CC)C(=O)C1=O
349535633	ZINC000594972482	ref	7.85	-44.78	1	259.365	2.692	1	2	6	COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCC(C)(C)F)[C@@H]1C
230233939	ZINC000331130873	ref	-0.22	-10.6	0	287.36	-1.075	1	5	6	CO[C@H]1CN(CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1OC
365621481	ZINC000623046993	ref	7.2	-10.92	0	315.417	1.864	0	3	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@H]1CCC(=O)N1C
282120097	ZINC000151581347	ref	4.99	-14.81	0	318.323	2.313	2	2	6	NC(=O)c1ccc(CNC(=O)CCc2ccc(F)cc2F)cc1
365621483	ZINC000623046939	ref	5.27	-16.96	0	322.372	1.834	1	5	1	C[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccnc2n[nH]nc12
343994319	ZINC000079926672	ref	3.57	-14.33	0	284.772	2.139	2	5	6	N#Cc1c(Cl)nsc1NCCCC(=O)NC1CC1
365621484	ZINC000623045673	ref	5.33	-16.22	0	317.336	1.211	1	3	5	CN1CC(=O)N(CC(=O)N[C@H](C(F)F)C2CCCCC2)C1=O
365621487	ZINC000623047151	ref	5.53	-43.6	-1	300.362	1.606	0	4	1	C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(=O)n(C)[n-]1
185089817	ZINC000096077973	mid	6.21	-40.38	1	294.42	2.075	1	3	4	COCC[N@H+]1CCC12CCN(C(=O)c1ccsc1)CC2
349535609	ZINC000602431809	ref	11.1	-44.65	1	244.382	3.838	1	1	8	CCC[N@@H+](Cc1ccccc1)C[C@@H](C)CCC#N
365621489	ZINC000623049840	ref	2.35	-16.3	0	321.312	1.954	2	6	4	Cc1noc([C@@H]2CC[C@H](CNC(=O)Nc3cc(F)ccn3)O2)n1
343994326	ZINC000079921121	ref	3.92	-48.01	1	290.363	2.219	2	4	8	COC[C@@](C)(CCO)[NH2+]Cc1cc(-c2ccccc2)no1
365621491	ZINC000623047196	ref	5.92	-13.92	0	315.417	1.77	1	3	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@H]1CCC(=O)NC1
343994333	ZINC000079921121	mid	2.74	-8.4	0	290.363	2.219	2	5	8	COC[C@@](C)(CCO)NCc1cc(-c2ccccc2)no1
342082134	ZINC000625330178	ref	2.05	-10.32	0	264.391	1.122	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCCC1)OCC
349535612	ZINC000602431809	mid	11.09	-45.29	1	244.382	3.838	1	1	8	CCC[N@H+](Cc1ccccc1)C[C@@H](C)CCC#N
365621494	ZINC000623048859	ref	0.8	-42.57	-1	323.403	1.103	2	5	4	CSc1nc(=NC(=O)c2ccc(CNC(N)=O)cc2)s[n-]1
343994337	ZINC000079923888	ref	5.85	-10.92	0	278.352	2.125	1	3	7	COc1ccc(OCCNC(=O)N(C)CC2CC2)cc1
365621496	ZINC000623045548	ref	4.89	-13.93	0	303.353	1.732	2	2	5	O=C(CN1CCCNC1=O)N[C@H](C(F)F)C1CCCCC1
342082135	ZINC000625330787	ref	4.63	-9.64	0	267.417	1.413	1	2	6	CCN1CC[C@@H](N(CC)C[C@H]2CCC[N@@H+]2CC)C1=O
342082136	ZINC000625330787	mid	5.84	-39.1	1	267.417	1.413	1	2	6	CCN1CC[C@@H](N(CC)C[C@H]2CCC[N@H+]2CC)C1=O
342082137	ZINC000625330787	high	4.63	-9.64	0	267.417	1.413	0	3	6	CCN1CC[C@@H](N(CC)C[C@H]2CCCN2CC)C1=O
342082138	ZINC000625330429	ref	0.58	-7.65	0	281.356	1.111	0	6	6	COc1cncc(CN2CCO[C@@H](COC(C)C)C2)n1
342082139	ZINC000625330489	ref	2.43	-46.42	1	265.357	1.921	1	4	4	COc1cncc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)n1
282120100	ZINC000449148962	ref	7.46	-37.16	1	258.431	2.117	1	2	8	CCSCC[C@@H](C)N(C)C(=O)[C@H](C)[NH2+]C1CC1
214189428	ZINC000293640455	ref	1.19	-21.35	0	359.395	0.969	0	5	2	C[C@@H]1[C@@H](C)[S@@](=O)CCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F
214189433	ZINC000293636387	ref	6.66	-17.59	0	361.402	0.902	2	7	7	COc1ccccc1OC[C@@H](C)CNC(=O)C(=O)Nc1nc(C)n(C)n1
214189439	ZINC000293645773	ref	7.02	-16.22	0	354.357	0.878	2	6	7	CC[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@H](O)c1c(F)cccc1F
214189443	ZINC000293649032	ref	6.44	-21.78	0	374.393	0.925	2	6	9	COC(=O)[C@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)OC
214189447	ZINC000293648847	ref	7.52	-14.17	0	362.434	0.456	1	6	1	CC(=O)N1CCN(C(=O)C(=O)Nc2nc(C)n(C)n2)CC12CCCCC2
214189453	ZINC000293644771	ref	2.63	-17.62	0	352.456	0.975	2	4	8	C[C@H](c1ccccc1)[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(N)=O
214189456	ZINC000293641792	ref	4.62	-19.24	0	353.488	0.839	0	4	5	Cc1cccc(CN(C)C(=O)CN2CCN(S(C)(=O)=O)CC2)c1C
214189461	ZINC000293640611	ref	3.25	-21.22	0	370.475	0.473	0	6	5	CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
342597794	ZINC000590804837	high	4.01	-8.36	0	293.367	1.853	2	4	5	COC(=O)c1cccc(NC(=O)NC[C@H](C)N(C)C)c1C
197596177	ZINC000290102579	ref	1.88	-15.36	0	293.435	1.137	0	4	2	C[C@H]1CN(S(=O)(=O)c2ccsc2)CC[S@@](=O)C1
342597795	ZINC000616984446	ref	5.79	-14.73	0	295.383	1.354	1	3	6	CC[C@@H](C)N(CC)C(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O
342597796	ZINC000590806611	ref	6.54	-11.89	0	272.32	1.473	1	3	4	CCOC(=O)C1(CNC(=O)N2CC[C@@H](F)C2)CCC1
342597797	ZINC000616982499	ref	1.36	-13.63	0	290.41	1.656	1	4	5	CC[C@H](C)N(CC)C(=O)c1ccc(S(N)(=O)=O)s1
214189464	ZINC000293646661	ref	3.98	-17.18	0	374.376	0.646	2	7	2	O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CC[C@@H](O)C12CCCC2
342597798	ZINC000616982758	ref	8.99	-11.8	0	270.402	1.943	0	5	6	CC[C@H](C)N(CC)C(=O)[C@H](C)Sc1nncn1C
342597799	ZINC000590804731	ref	2.46	-11.19	0	250.346	1.24	2	3	5	CC/C=C\CNC(=O)NC1CCN(CC#N)CC1
197596183	ZINC000290101944	ref	7.39	-9.68	0	295.81	3.348	1	2	6	O=C(CCCc1ccccc1Cl)NC[C@@H]1CCCCO1
342597800	ZINC000590804744	ref	2.1	-11.77	0	296.415	1.335	2	4	7	CC[C@H](C)[C@H](CNC(=O)NC1CCN(CC#N)CC1)OC
342597801	ZINC000616982760	ref	8.87	-11.85	0	270.402	1.943	0	5	6	CC[C@@H](C)N(CC)C(=O)[C@H](C)Sc1nncn1C
342597802	ZINC000616983630	ref	6.85	-15.64	0	268.357	1.563	0	3	7	CC[C@@H](C)N(CC)C(=O)CCCN1C(=O)CCC1=O
178291314	ZINC000236975932	ref	5.22	-40.39	1	364.515	1.816	2	4	6	CCCc1ncc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1
365621486	ZINC000172814341	ref	5.02	-20.55	0	296.371	1.937	1	5	6	CCn1nc(C)c(NC(=O)CCCN(C)C(=O)OC)c1C
365621488	ZINC000172804227	ref	4.88	-38.35	1	291.37	1.522	2	2	3	NC(=O)[C@H](c1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1
365621490	ZINC000172804227	mid	3.85	-31.95	1	291.37	1.522	2	2	3	NC(=O)[C@H](c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1
365621492	ZINC000172804227	mid	1.62	-7.55	0	291.37	1.522	1	3	3	NC(=O)[C@H](c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1
365621493	ZINC000172813438	ref	2.67	-20.81	0	299.396	1.065	2	5	6	CC(C)Nc1ncccc1C(=O)N[C@@H](C)CS(C)(=O)=O
365621495	ZINC000172805565	ref	3.44	-9.34	0	272.37	1.381	0	6	7	COCCN(CC(=O)OC)Cc1sc(C)nc1C
365621499	ZINC000172814481	ref	4.06	-12.04	0	251.33	1.885	1	4	3	CCn1nc(C)c(NC(=O)[C@@H]2CCCOC2)c1C
185089819	ZINC000096077973	high	3.25	-8.64	0	294.42	2.075	0	4	4	COCCN1CCC12CCN(C(=O)c1ccsc1)CC2
178291317	ZINC000236985199	ref	4.29	-62.61	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1
365621502	ZINC000172811049	ref	2.56	-14.54	0	285.325	1.231	1	5	3	C[C@H]1CCCN1c1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]
299072344	ZINC000341617534	ref	5.57	-10.03	0	254.374	2.241	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)[C@H]1CCOC1
365621505	ZINC000581415689	ref	5.57	-19.74	0	253.252	1.986	1	2	3	C[C@@H](CC(F)F)C(=O)N=c1cc2ccccn2[nH]1
365621508	ZINC000581415689	high	5.64	-51.2	-1	253.252	1.986	0	2	3	C[C@@H](CC(F)F)C(=O)N=c1cc2ccccn2[n-]1
365621511	ZINC000172818712	ref	3.2	-13.96	0	269.345	1.511	1	5	8	CCn1nc(C)c(NC(=O)CCOCCOC)c1C
365621518	ZINC000172813471	ref	7.8	-16.3	0	299.374	1.948	0	4	6	O=C(Cn1cccn1)N1CC[C@H](COCc2ccccc2)C1
178291319	ZINC000236984194	ref	4.92	-53.11	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1
178291320	ZINC000236984194	high	3.68	-11.46	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2C[C@H](C)NC[C@H]2C)cc1
365621521	ZINC000541114053	ref	5.2	-19.4	0	260.322	1.139	1	5	2	N#Cc1c(N[C@H]2CC[S@](=O)C2)nc2ccccn12
192038089	ZINC000418464343	ref	1.99	-37.4	1	244.383	0.707	3	1	8	CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[NH+](C)C
259308708	ZINC000306303170	ref	5.93	-3.12	0	242.12	2.617	1	3	4	C=C(CC)CNc1ncncc1Br
365621528	ZINC000565289197	ref	5.33	-12.3	0	274.295	1.74	1	3	3	N#Cc1ccc(CNC(=O)[C@H]2C[C@@]23CCOC3)cc1F
214189446	ZINC000278492058	ref	7.82	-10.83	0	321.398	3.15	0	6	7	COC[C@H](OC(=O)[C@H](C)Oc1cccc(C)c1)c1nccs1
214189449	ZINC000278493034	ref	10.39	-10.9	0	323.462	3.367	0	6	9	C=CCn1c(SCCCCC2(C)OCCO2)nnc1C1CC1
282120102	ZINC000533434745	ref	4.42	-13.55	0	284.363	1.861	2	3	6	CN(Cc1cc[nH]n1)[C@@H](C(=O)NC1CC1)c1ccccc1
214189451	ZINC000278492506	ref	5.15	-15.29	0	309.362	1.733	1	5	8	CNC(=O)COc1ccc(OCCO[C@H]2CCCCO2)cc1
214189454	ZINC000278492821	ref	3.0	-57.33	1	306.478	1.369	2	4	7	O=S(=O)(NCC[NH2+]C[C@H]1CCSC1)c1cccs1
342597803	ZINC000616983847	ref	6.98	-16.63	0	294.399	1.549	0	4	7	CC[C@@H](C)N(CC)C(=O)CN(C)C(=O)[C@H](C)n1cccn1
214189457	ZINC000278492821	high	2.61	-46.01	0	306.478	1.369	1	4	7	O=S(=O)([N-]CC[NH2+]C[C@H]1CCSC1)c1cccs1
214189459	ZINC000278491985	ref	9.82	-47.37	1	316.424	3.269	1	3	5	CC[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cccc(F)c1
365621497	ZINC000576540709	ref	-0.6	-10.24	0	225.248	0.416	3	4	4	C[C@H](NC(=O)N[C@@H]1C[C@H]1CO)c1ccon1
214189462	ZINC000278493969	ref	3.98	-15.2	0	301.433	1.384	0	3	2	Cc1ccc(S(=O)(=O)N2CC[S@@](=O)C[C@H](C)C2)cc1
214189465	ZINC000278491903	ref	7.8	-12.4	0	306.793	2.836	1	3	3	C[C@@H]1COCC[C@@H]1NC(=O)Cn1ccc2ccc(Cl)cc21
342597804	ZINC000616983029	ref	3.43	-18.54	0	278.418	1.351	1	3	6	CC[C@@H](C)N(CC)C(=O)CS(=O)(=O)NC(C)(C)C
342597805	ZINC000590804883	ref	2.69	-10.68	0	278.308	1.426	3	4	3	COC(=O)c1cccc(NC(=O)N[C@@H]2C[C@H](O)C2)c1C
342597806	ZINC000616982705	ref	3.93	-17.53	0	276.402	1.059	0	3	6	CC[C@@H](C)N(CC)C(=O)CCN1CCCS1(=O)=O
214189466	ZINC000278492907	ref	8.12	-46.95	1	319.434	1.593	1	6	5	Cn1nnnc1SC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1
214189467	ZINC000278492907	mid	7.71	-46.23	1	319.434	1.593	1	6	5	Cn1nnnc1SC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1
342597807	ZINC000590805250	ref	3.99	-12.03	0	292.335	1.628	2	4	3	COC(=O)c1cccc(NC(=O)N2CC(C)(CO)C2)c1C
214189470	ZINC000278492907	high	6.07	-8.69	0	319.434	1.593	0	7	5	Cn1nnnc1SC[C@@H]1CN(Cc2ccccc2)CCCO1
342597808	ZINC000616983647	ref	5.64	-22.37	0	275.414	1.991	0	3	6	CC[C@H](C)N(CC)C(=O)CS(=O)(=O)C1CCCC1
342597809	ZINC000590806610	ref	6.47	-11.15	0	272.32	1.473	1	3	4	CCOC(=O)C1(CNC(=O)N2CC[C@H](F)C2)CCC1
342597810	ZINC000616984175	ref	4.26	-15.26	0	261.387	1.458	0	3	5	CC[C@@H](C)N(CC)C(=O)C[C@@H]1CCS(=O)(=O)C1
342597811	ZINC000590804787	ref	2.28	-14.32	0	298.726	1.771	3	4	3	COC(=O)c1cc(NC(=O)N[C@@H]2C[C@H](O)C2)ccc1Cl
178291321	ZINC000236983828	ref	5.86	-37.83	1	353.488	1.541	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1
214189469	ZINC000293646577	ref	3.3	-17.05	0	361.398	0.345	1	5	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1
214189473	ZINC000293648682	ref	7.83	-46.65	1	355.442	0.879	2	4	2	C[C@H]1NC(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)=NN(c2ccccc2)C1=O
214189477	ZINC000293648682	mid	7.83	-46.25	1	355.442	0.879	2	4	2	C[C@H]1NC(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)=NN(c2ccccc2)C1=O
214189480	ZINC000293637778	ref	2.5	-15.32	0	372.443	0.622	1	6	8	CNC(=O)[C@H](C)CN(C)S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1
214189482	ZINC000293636328	ref	0.98	-15.99	0	368.455	0.837	3	5	5	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O
214189486	ZINC000293648513	ref	1.58	-14.1	0	355.778	0.633	2	5	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC
178291322	ZINC000236973597	ref	8.38	-40.1	1	356.47	1.686	1	4	8	CCOC[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1
178291324	ZINC000236973597	mid	8.06	-11.05	0	356.47	1.686	1	5	8	CCOC[C@@H]1CCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1
178291326	ZINC000236973597	low	8.92	-113.68	2	356.47	1.686	1	3	8	CCOC[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1
214189493	ZINC000293649052	ref	5.46	-15.07	0	361.402	0.963	2	7	6	COc1ccc([C@H](OC)[C@@H](C)NC(=O)C(=O)Nc2nc(C)n(C)n2)cc1
214189498	ZINC000293639831	ref	3.04	-10.73	0	350.375	0.051	2	7	2	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@@H](O)C12CCCC2
214189503	ZINC000293641024	ref	1.93	-17.72	0	358.402	0.577	3	7	4	Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@@H]2C)c1
214189510	ZINC000293644965	ref	-0.46	-15.98	0	370.471	0.395	3	5	5	Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@H](O)C[C@@H]2C)[C@H](C)O)cc1
214189515	ZINC000293637147	ref	5.28	-17.86	0	373.413	0.637	1	7	4	COC(=O)c1ccc(C(=O)N[C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)n1C
214189520	ZINC000293644664	ref	6.59	-12.63	0	354.382	0.936	1	6	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1
214189522	ZINC000293648615	ref	3.93	-12.3	0	367.377	0.828	3	5	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(F)c1C(=O)OC)C(C)C
214189528	ZINC000293642793	ref	2.36	-15.52	0	353.444	0.712	1	4	2	C[C@@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)Cc2ccccc2O1
349535611	ZINC000093295002	ref	2.1	-11.0	0	284.268	0.208	1	7	6	CCOC(=O)C(NC(=O)c1ocnc1C)C(=O)OCC
365621498	ZINC000623045235	ref	1.85	-13.76	0	312.382	1.254	2	3	6	C[C@H](NS(C)(=O)=O)C(=O)N[C@H](C(F)F)C1CCCCC1
365621500	ZINC000623046826	ref	6.41	-12.12	0	301.39	1.332	0	3	1	C[C@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1CCN(C)C1=O
365621503	ZINC000623045234	ref	1.87	-14.29	0	312.382	1.254	2	3	6	C[C@H](NS(C)(=O)=O)C(=O)N[C@@H](C(F)F)C1CCCCC1
342597812	ZINC000590804579	ref	3.21	-10.91	0	292.408	1.844	2	4	4	Cc1csc(CNC(=O)NC2CCN(CC#N)CC2)c1
365621504	ZINC000623049982	ref	1.14	-22.49	0	320.353	1.058	2	6	4	CCn1ccc(=NC(=O)NC[C@@H]2CC[C@H](c3nc(C)no3)O2)[nH]1
365621507	ZINC000623047822	ref	4.52	-14.25	0	303.362	1.726	2	3	5	Cc1ccccc1N(C)C(=O)CCC[C@@]1(C)NC(=O)NC1=O
365621510	ZINC000623045097	ref	1.81	-17.78	0	312.382	1.256	2	3	7	CCS(=O)(=O)NCC(=O)N[C@H](C(F)F)C1CCCCC1
342597813	ZINC000616983477	ref	3.86	-9.62	0	281.356	1.726	2	3	7	CC[C@@H](C)N(CC)C(=O)CNC(=O)NCc1ccco1
282120104	ZINC000449148962	high	6.38	-7.24	0	258.431	2.117	1	3	8	CCSCC[C@@H](C)N(C)C(=O)[C@H](C)NC1CC1
365621513	ZINC000623049741	ref	0.83	-12.25	0	322.287	1.848	2	5	4	Cc1noc([C@H]2CC[C@@H](CNC(=O)N[C@H](C)C(F)(F)F)O2)n1
365621517	ZINC000623046137	ref	5.14	-12.45	0	315.364	1.654	2	4	6	Cn1cc(C[C@@H](O)C(=O)N[C@@H](C(F)F)C2CCCCC2)cn1
197596196	ZINC000290103175	ref	2.7	-68.33	1	278.312	-0.211	2	5	4	CO[C@H](C[NH3+])C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
365621520	ZINC000623046138	ref	4.87	-14.56	0	315.364	1.654	2	4	6	Cn1cc(C[C@@H](O)C(=O)N[C@H](C(F)F)C2CCCCC2)cn1
365621523	ZINC000623045672	ref	5.59	-14.04	0	317.336	1.211	1	3	5	CN1CC(=O)N(CC(=O)N[C@@H](C(F)F)C2CCCCC2)C1=O
365621526	ZINC000623050844	ref	4.65	-40.43	1	300.406	1.499	2	4	8	CN(CC[N@H+](C)CCO)Cc1cnc(-c2ccccc2)nc1
197596197	ZINC000290103175	high	2.44	-19.0	0	278.312	-0.211	2	6	4	CO[C@H](CN)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C
342597814	ZINC000616983246	ref	2.29	-11.59	0	288.369	1.448	1	4	6	CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)NC)o1
365621529	ZINC000623050844	mid	4.64	-40.29	1	300.406	1.499	2	4	8	CN(CC[N@@H+](C)CCO)Cc1cnc(-c2ccccc2)nc1
192038091	ZINC000418464343	high	1.99	-37.4	1	244.383	0.707	2	2	8	CCCC[C@@H](C[NH3+])NC(=O)N(C)CCN(C)C
365621531	ZINC000623050844	high	2.26	-8.31	0	300.406	1.499	1	5	8	CN(CCO)CCN(C)Cc1cnc(-c2ccccc2)nc1
365621535	ZINC000623048566	ref	-1.05	-13.31	0	310.379	1.13	2	6	6	CCc1noc(CN[C@@H](C)c2cccc(S(N)(=O)=O)c2)n1
282120109	ZINC000449148957	ref	5.83	-35.0	1	295.471	2.096	2	1	4	CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C
365621501	ZINC000576536665	ref	2.96	-7.89	0	220.232	0.157	0	6	2	CO[C@H]1CN(c2cc(C#N)ncn2)CCO1
178291329	ZINC000236982247	ref	1.85	-53.01	1	365.249	1.253	2	4	7	CCOC(=O)c1cc(Br)cc(S(=O)(=O)NCCC[NH3+])c1
365621506	ZINC000343699836	ref	3.54	-8.57	0	248.355	2.346	1	5	5	CCc1nnc(CN[C@@H](C)c2ccncc2)s1
365621512	ZINC000343699836	low	4.67	-48.65	1	248.355	2.346	1	4	5	CCc1nnc(C[NH2+][C@@H](C)c2ccncc2)s1
365621515	ZINC000576536715	ref	2.32	-9.44	0	245.286	0.583	1	5	3	N#Cc1cc(N2CCCC[C@H]2CC(N)=O)ncn1
365621519	ZINC000576534455	ref	-1.27	-11.15	0	234.255	0.023	3	3	3	NC(=O)CNC(=O)[C@H]1CCc2cccc(O)c21
365621527	ZINC000343700777	ref	5.67	-36.58	1	227.304	0.642	2	3	4	COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](C2CC2)C1
365621534	ZINC000343700777	mid	5.7	-36.89	1	227.304	0.642	2	3	4	COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](C2CC2)C1
365621538	ZINC000576540452	ref	2.06	-8.24	0	223.272	1.261	2	3	4	CCc1oc(C(=O)N[C@@H]2C[C@H]2CO)cc1C
282120105	ZINC000248948342	mid	7.09	-33.08	1	308.397	1.877	2	2	6	CCN(Cc1cccc(F)c1)C(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO
282120110	ZINC000248948342	high	4.63	-11.18	0	308.397	1.877	1	3	6	CCN(Cc1cccc(F)c1)C(=O)CN1CC[C@@H](C)[C@H]1CO
282120115	ZINC000248950987	ref	3.3	-11.59	0	301.33	1.28	1	5	5	COC(=O)C[C@@H]1CSCCN1C[C@@H](O)CC(F)(F)F
365621547	ZINC000343700778	ref	5.91	-32.9	1	227.304	0.642	2	3	4	COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H](C2CC2)C1
365621549	ZINC000343700778	mid	5.66	-36.61	1	227.304	0.642	2	3	4	COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H](C2CC2)C1
365621553	ZINC000576540798	ref	3.52	-7.31	0	214.215	1.775	1	2	3	Cc1ccncc1C(=O)NCC(C)(F)F
178291330	ZINC000236969697	ref	2.19	-50.19	1	361.895	1.756	3	3	7	CC[NH2+]CCNC(=O)c1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl
178291333	ZINC000236974688	ref	4.53	-51.9	1	353.488	1.964	2	3	6	CCN(CC)S(=O)(=O)c1cc(NC(=O)C2CC[NH2+]CC2)ccc1C
365621557	ZINC000576541514	ref	1.88	-6.89	0	227.304	0.975	2	3	4	CCO[C@@H]1C[C@@H]1NC(=O)C1(O)CCCCC1
365621562	ZINC000576535921	ref	7.05	-7.71	0	249.354	3.624	1	2	5	CCOc1cc(NC(=O)[C@H](C)C(C)C)ccc1C
365621567	ZINC000175905828	ref	4.16	-14.43	0	208.261	0.783	0	3	2	C[C@H](C(=O)N1CCOC[C@@H]1C#N)C1CC1
349535615	ZINC000093300303	ref	2.22	-6.87	0	262.309	0.854	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@@H]1O
365621576	ZINC000576534428	ref	4.37	-7.99	0	239.315	2.387	1	3	5	CCc1occc1C(=O)NCCOC(C)(C)C
365621582	ZINC000576534358	ref	4.7	-36.28	1	243.391	2.187	2	2	7	CC(C)CO[C@H]1C[C@@H]([NH2+]CC[C@H](C)O)C1(C)C
365621585	ZINC000576540477	ref	-1.22	-26.66	0	210.237	-0.585	2	4	2	C[C@H](C(=O)NC(N)=O)N1CC(C)(C#N)C1
178291335	ZINC000236981882	ref	6.38	-46.52	1	361.446	1.037	2	5	6	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N(C)[C@H](C)C[NH3+])cc(C(C)C)nc21
178291336	ZINC000236967970	ref	5.45	-46.68	1	363.155	1.539	2	3	6	CC[NH2+]CCNC(=O)c1cc([N+](=O)[O-])ccc1I
214189471	ZINC000278492543	ref	3.14	-7.64	0	312.089	1.934	2	3	4	O=C(CNc1ncccc1Br)NCC(F)(F)F
178291338	ZINC000236965815	ref	3.02	-51.85	1	356.492	1.697	3	4	10	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)CCC[NH2+]C)c1
214189474	ZINC000278492582	ref	5.69	-18.2	0	309.163	1.716	1	2	4	C#CCN(C(=O)Cc1cc[nH]c(=O)c1Br)C1CC1
178291341	ZINC000236966262	ref	4.22	-52.48	1	367.515	1.577	2	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
214189476	ZINC000278492190	ref	0.17	-12.17	0	311.329	2.151	3	4	5	C[C@@H](CO)CNC(=O)N[C@H](C)c1nc(C(F)(F)F)cs1
178291342	ZINC000236966262	high	3.89	-14.41	0	367.515	1.577	2	4	7	CC[C@@H](C)[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
214189478	ZINC000278493402	ref	4.17	-13.02	0	314.389	3.041	1	5	7	CCN(CC)C(=O)c1ccc(CNc2nnc(C3CC3)o2)cc1
214189481	ZINC000278492130	ref	9.94	-12.21	0	322.412	3.347	1	4	3	Cc1cncc(/C=C/C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)c1
214189484	ZINC000278492451	ref	5.86	-17.31	0	309.343	1.897	0	6	6	CC(=O)OCCCS(=O)(=O)Oc1cccc2cccnc12
178291344	ZINC000236983743	ref	6.52	-38.26	1	366.506	1.807	3	4	5	CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CSCN2)CC1
178291346	ZINC000236983743	mid	7.91	-93.25	2	366.506	1.807	3	3	5	CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CSC[NH2+]2)CC1
214189487	ZINC000278492069	ref	3.49	-12.98	0	302.33	2.13	2	5	4	CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(=O)n(C)c1
214189488	ZINC000278493938	ref	5.27	-11.98	0	302.33	2.75	2	5	7	COc1cc(CCO)ccc1NCc1ccccc1[N+](=O)[O-]
214189489	ZINC000278492265	ref	9.46	-13.39	0	322.416	2.78	1	6	5	Cc1cccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1
178291348	ZINC000236983743	high	4.16	-6.15	0	366.506	1.807	2	5	5	CCN1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CSCN2)CC1
178291350	ZINC000236985090	ref	3.34	-62.29	1	353.488	1.574	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1
214189490	ZINC000278492089	ref	-0.98	-5.94	0	316.195	1.786	3	4	5	OCC[C@]1(NCc2cc(O)ccc2Br)CCOC1
168366257	ZINC000082890823	high	-2.62	-6.73	0	192.218	1.208	2	4	2	C[C@@H](N)[C@@H](O)c1nc2ccccc2o1
214189491	ZINC000278492089	mid	0.05	-37.4	1	316.195	1.786	3	3	5	OCC[C@]1([NH2+]Cc2cc(O)ccc2Br)CCOC1
342597815	ZINC000616983246	mid	1.83	-38.94	-1	288.369	1.448	0	4	6	CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)o1
342597816	ZINC000616983153	ref	7.79	-15.97	0	250.342	1.885	0	3	6	CC[C@H](C)N(CC)C(=O)CCn1ccccc1=O
214189479	ZINC000337633257	ref	7.11	-10.56	0	291.301	3.338	1	3	4	CN(C)c1cc(C(=O)Nc2cccc(C(F)F)c2)ccn1
214189483	ZINC000337632914	ref	0.11	-11.47	0	263.313	0.042	3	3	8	COC[C@H](C)CNC(=O)N[C@H](C)C(=O)NCCF
214189485	ZINC000337635027	ref	1.72	-13.81	0	297.399	0.977	3	3	4	CN(CC1(O)CCCC1)C(=O)NC1CCC(C(N)=O)CC1
398246066	ZINC000651448587	ref	10.19	-7.13	0	267.376	3.26	0	3	1	Cc1cc(C)nc(N2CCc3ccccc3[C@@H](C)C2)n1
398246072	ZINC000651452111	ref	7.33	-41.11	1	274.408	3.326	1	2	5	CC(C)[C@H]([NH2+][C@H]1CCO[C@@H](c2cccnc2)C1)C1CC1
398246073	ZINC000651452095	ref	7.8	-42.88	1	274.408	3.47	1	2	4	CC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2cccnc2)C1
306234495	ZINC000557851038	ref	6.25	-16.28	0	330.432	1.586	1	3	4	Cc1ccc(CCNC(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cn1
342597817	ZINC000616982495	ref	6.81	-28.15	0	290.367	1.521	1	4	5	CC[C@@H](C)N(CC)C(=O)Cc1c(C)[nH]c2ccnn2c1=O
342597818	ZINC000590804743	ref	2.39	-11.91	0	296.415	1.335	2	4	7	CC[C@H](C)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)OC
306234496	ZINC000557844505	ref	5.72	-14.59	0	333.325	1.806	0	6	3	N#Cc1ccc(S(=O)(=O)N2CCc3c(cccc3[N+](=O)[O-])C2)o1
214189513	ZINC000337636995	ref	4.04	-17.54	0	285.303	2.105	1	5	4	COc1ccc2occ(C(=O)NCc3cnn(C)c3)c2c1
398246078	ZINC000651445884	ref	4.53	-10.77	0	291.376	3.369	0	6	3	CC1(C)C[C@H](c2noc(/C=C\c3cscn3)n2)CCO1
342597819	ZINC000616983045	ref	0.8	-66.71	-1	290.323	1.697	1	4	4	CC[C@@H](C)N(CC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
342597820	ZINC000616983045	low	2.63	-22.6	0	290.323	1.697	2	4	4	CC[C@@H](C)N(CC)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
342597821	ZINC000616983846	ref	6.98	-20.73	0	294.399	1.549	0	4	7	CC[C@@H](C)N(CC)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1
185089820	ZINC000096075997	ref	8.01	-38.87	1	271.364	1.782	1	2	3	O=C(c1ccccn1)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
214189518	ZINC000337636897	ref	7.18	-7.62	0	287.407	2.491	2	3	6	C[C@@H]1CCC[C@H]1CNC(=O)c1ccc(NCC2CC2)nc1
168366260	ZINC000020445942	ref	0.3	-42.06	1	143.215	0.428	1	3	2	C[C@@H]([NH3+])Cc1csnn1
178291340	ZINC000295510442	ref	4.86	-5.79	0	249.31	2.702	1	4	2	Cc1cc2c(cc1N[C@@H]1C[C@@H](C)O[C@@H]1C)OCO2
343994320	ZINC000139316139	mid	2.93	-6.27	0	191.234	1.485	1	4	3	Cc1ccc([C@@H](N)Cn2cccn2)o1
342597822	ZINC000590805231	ref	3.13	-12.0	0	292.335	1.817	3	4	3	COC(=O)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2O)c1C
197596202	ZINC000290103470	ref	9.72	-51.78	1	299.418	2.808	2	2	8	CCCC[N@H+](C)C[C@H](C)NC(=O)/C=C/c1ccccc1C#N
282120106	ZINC000192703300	high	5.89	-9.09	0	286.416	1.811	1	4	8	CCC(CC)(CN[C@@H](C)C(=O)N(C)C(C)C)C(=O)OC
342597823	ZINC000590804746	ref	2.41	-11.74	0	296.415	1.335	2	4	7	CC[C@@H](C)[C@@H](CNC(=O)NC1CCN(CC#N)CC1)OC
342597824	ZINC000616984257	ref	5.74	-8.49	0	281.356	1.15	0	5	7	CC[C@H](C)N(CC)C(=O)c1ccc(=O)n(CCOC)n1
342597825	ZINC000616982759	ref	9.12	-11.5	0	270.402	1.943	0	5	6	CC[C@H](C)N(CC)C(=O)[C@@H](C)Sc1nncn1C
197596204	ZINC000290103470	mid	9.72	-52.22	1	299.418	2.808	2	2	8	CCCC[N@@H+](C)C[C@H](C)NC(=O)/C=C/c1ccccc1C#N
342597826	ZINC000616983261	ref	7.36	-14.68	0	290.371	1.436	1	5	6	CC[C@@H](C)N(CC)C(=O)CN(C)c1ncnc2nc[nH]c12
349535616	ZINC000602431394	ref	7.44	-40.77	1	243.347	1.687	1	3	6	CCC[C@@H](C[NH+]1CCC(C(=O)OC)CC1)OC
349535620	ZINC000602431394	high	5.45	-5.12	0	243.347	1.687	0	4	6	CCC[C@@H](CN1CCC(C(=O)OC)CC1)OC
349535624	ZINC000602431445	ref	5.25	-45.19	1	233.315	1.079	2	2	2	N#CC1(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)CCC1
349535628	ZINC000602431233	ref	6.91	-33.67	1	243.347	1.686	1	3	5	CC[C@@](C)(C[N@@H+]1CCC[C@@H](C(=O)OC)C1)OC
349535630	ZINC000602431233	mid	7.3	-36.33	1	243.347	1.686	1	3	5	CC[C@@](C)(C[N@H+]1CCC[C@@H](C(=O)OC)C1)OC
349535634	ZINC000602431493	ref	6.94	-45.07	1	210.321	2.037	1	2	5	COC1CC[NH+](C[C@@H](C)CCC#N)CC1
349535637	ZINC000602431554	ref	2.12	-51.95	1	209.293	0.876	1	2	3	CCC(C#N)(CC)C(=O)N1CC[C@H]([NH3+])C1
214189492	ZINC000278492533	ref	4.16	-10.58	0	314.819	2.571	2	4	4	O=C(NCc1csc(=O)[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1
398246070	ZINC000390775823	ref	2.84	-36.99	1	223.345	1.327	1	3	2	c1ncc(CN2CC[C@@H]3CC[NH2+][C@@H]3C2)s1
349535640	ZINC000602431540	ref	8.61	-42.71	1	231.343	3.091	2	1	5	C[C@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccc[nH]1
349535643	ZINC000602431540	mid	8.31	-40.94	1	231.343	3.091	2	1	5	C[C@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc[nH]1
349535646	ZINC000602431543	ref	10.37	-49.21	1	248.345	3.758	1	1	6	C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)CCC#N
349535650	ZINC000602431543	mid	10.37	-48.47	1	248.345	3.758	1	1	6	C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)CCC#N
349535652	ZINC000258930347	ref	4.55	-16.6	0	217.228	1.457	1	5	3	Cn1c(=O)oc2cc(NCCC#N)ccc21
349535657	ZINC000258944954	ref	10.26	-36.16	0	239.359	2.753	1	2	6	C[N@H+](CCC1CCCCC1)CC1(C(=O)[O-])CC1
229487804	ZINC000310089010	ref	7.84	-6.15	0	238.302	3.53	0	2	6	FCCCCCOc1ccc2c(c1)CCCO2
214189495	ZINC000053603072	ref	7.28	-16.78	0	339.386	2.536	1	2	3	C[C@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccc(F)c(F)c1
214189502	ZINC000053607339	ref	1.39	-18.81	0	346.456	1.852	2	5	8	CC(C)CN(CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
214189505	ZINC000053607339	low	3.3	-43.85	1	346.456	1.852	3	4	8	CC(C)C[N@H+](CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
214189508	ZINC000053607339	low	3.04	-48.59	1	346.456	1.852	3	4	8	CC(C)C[N@@H+](CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
398246074	ZINC000036136546	ref	5.32	-41.0	1	245.326	1.497	1	2	2	O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccncc1
214189517	ZINC000053607800	ref	8.08	-21.43	0	338.835	2.855	1	3	5	C[C@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(Cl)cc1C(N)=O
214189524	ZINC000053609498	ref	5.71	-13.66	0	326.4	1.834	0	5	5	O=C(Cc1ccccc1)N1CCN(Cc2noc(C3CC3)n2)CC1
214189529	ZINC000053604429	ref	5.19	-8.46	0	329.4	3.301	0	6	6	COc1ccc([C@H]2CCCN2Cc2noc(C3CC3)n2)c(OC)c1
398246082	ZINC000650439178	ref	1.1	-13.46	0	241.316	1.307	3	4	5	CSc1cccnc1NC(=O)NCCCO
214189535	ZINC000053602069	ref	6.2	-6.01	0	328.721	3.824	2	3	2	O[C@H]1Cc2ccccc2[C@H]1Nc1ncc(C(F)(F)F)cc1Cl
398246086	ZINC000076748370	ref	9.87	-43.82	1	242.366	3.907	1	1	4	N#CCCC[N@@H+]1CCCCC[C@@H]1c1ccccc1
214189545	ZINC000053602037	ref	7.82	-14.26	0	349.316	2.522	2	6	2	Cc1cc(N[C@@H]2c3ccccc3C[C@@H]2O)n2nc(C(F)(F)F)nc2n1
398246088	ZINC000076748370	mid	10.34	-42.28	1	242.366	3.907	1	1	4	N#CCCC[N@H+]1CCCCC[C@@H]1c1ccccc1
214189551	ZINC000053608564	ref	6.83	-11.99	0	343.406	2.745	0	6	6	CCCCc1nc(CN2CCN(c3cccc(F)c3C#N)CC2)no1
259308709	ZINC000322992802	ref	4.36	-27.81	1	208.305	2.617	1	2	5	CC[C@](C)(CNc1cc[nH+]c(C)c1)OC
398246093	ZINC000650439469	ref	2.52	-15.81	0	247.216	2.306	2	2	4	CC(F)(F)CCNC(=O)c1ccc(O)c(F)c1
342082140	ZINC000625330489	high	1.53	-6.06	0	265.357	1.921	1	5	4	COc1cncc(CN[C@H]2CC(C)(C)OC2(C)C)n1
342082141	ZINC000625330842	ref	8.33	-78.34	2	264.417	1.998	1	3	7	CCN(CCn1ccnc1C)C[C@@H]1CCC[N@@H+]1CC
398246095	ZINC000650439469	mid	3.28	-48.4	-1	247.216	2.306	1	2	4	CC(F)(F)CCNC(=O)c1ccc([O-])c(F)c1
349535618	ZINC000093300813	ref	2.33	-9.0	0	294.355	0.15	2	5	2	CCc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)n(C)n1
398246099	ZINC000650439481	ref	3.85	-11.78	0	231.246	1.678	1	3	5	CCn1nccc1C(=O)NCCC(C)(F)F
398249526	ZINC000381273171	ref	3.58	-105.54	2	228.38	1.907	2	1	6	CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)OC
214189497	ZINC000278492151	ref	7.71	-55.74	1	320.776	3.38	2	3	6	Cc1ccc([C@H](O)C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)cc1
365621509	ZINC000641590068	ref	1.37	-13.71	0	294.376	1.162	1	5	2	Cc1nc([C@@H]2CCOC2)sc1C(=O)N1C[C@H]2C[C@@]2(O)C1
185089822	ZINC000096075997	mid	8.04	-39.98	1	271.364	1.782	1	2	3	O=C(c1ccccn1)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
365621514	ZINC000641590135	ref	3.15	-9.13	0	253.323	1.517	1	4	2	CSc1cc(C)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)o1
342597827	ZINC000616983261	mid	7.55	-14.21	0	290.371	1.436	1	5	6	CC[C@@H](C)N(CC)C(=O)CN(C)c1ncnc2[nH]cnc12
342597828	ZINC000616983028	ref	3.55	-18.43	0	278.418	1.351	1	3	6	CC[C@H](C)N(CC)C(=O)CS(=O)(=O)NC(C)(C)C
342597829	ZINC000616983631	ref	6.97	-15.68	0	268.357	1.563	0	3	7	CC[C@H](C)N(CC)C(=O)CCCN1C(=O)CCC1=O
342597830	ZINC000616984237	ref	7.88	-15.85	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1ccc(-n2cnnn2)cc1
365621516	ZINC000641590213	ref	1.92	-13.92	0	254.236	1.226	1	3	2	O=C(c1ccc(C(F)F)nc1)N1C[C@@H]2C[C@]2(O)C1
365621522	ZINC000641589980	ref	3.85	-13.11	0	253.248	1.48	1	2	1	Cc1cc(F)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(F)c1
365621524	ZINC000641589763	ref	5.02	-14.64	0	261.321	1.105	1	3	4	Cc1ccc(COCC(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
185089823	ZINC000096075997	high	5.03	-10.06	0	271.364	1.782	0	3	3	O=C(c1ccccn1)N1CC[C@]2(CCN2CC2CC2)C1
365621525	ZINC000641589818	ref	4.85	-11.98	0	273.332	1.284	1	3	2	O=C(C[C@@H]1OCCc2ccccc21)N1C[C@@H]2C[C@]2(O)C1
365621530	ZINC000641590137	ref	3.15	-9.18	0	253.323	1.517	1	4	2	CSc1cc(C)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)o1
365621533	ZINC000641590559	ref	5.56	-9.34	0	259.349	1.767	1	2	3	Cc1ccccc1C[C@H](C)C(=O)N1C[C@H]2C[C@@]2(O)C1
342597831	ZINC000616983548	ref	5.56	-11.21	0	270.373	1.128	0	3	7	CC[C@H](C)N(CC)C(=O)[C@H]1CC(=O)N(CCOC)C1
342597832	ZINC000616983359	ref	1.08	-12.24	0	274.342	1.188	1	4	5	CC[C@@H](C)N(CC)C(=O)c1ccc(S(N)(=O)=O)o1
342597833	ZINC000616983549	ref	5.56	-10.24	0	270.373	1.128	0	3	7	CC[C@@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(CCOC)C1
342597834	ZINC000616983050	ref	0.71	-67.53	-1	290.323	1.697	1	4	4	CC[C@H](C)N(CC)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
342597835	ZINC000616983050	low	2.52	-23.48	0	290.323	1.697	2	4	4	CC[C@H](C)N(CC)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
365621537	ZINC000641589987	ref	5.98	-6.52	0	275.352	1.74	0	5	2	c1nc(C2CC2)cc(N2CCO[C@@]3(CCCOC3)C2)n1
342597836	ZINC000616983541	ref	6.43	-11.09	0	254.374	1.94	1	2	8	CC[C@H](C)N(CC)C(=O)CCCNC(=O)C1CC1
342597837	ZINC000616983546	ref	5.57	-11.01	0	270.373	1.128	0	3	7	CC[C@@H](C)N(CC)C(=O)[C@H]1CC(=O)N(CCOC)C1
365621532	ZINC000172811516	ref	2.55	-10.61	0	252.314	1.79	0	4	3	COC[C@@H]1CCCN(C(=O)c2oc(C)nc2C)C1
365621536	ZINC000172811418	ref	5.51	-13.45	0	276.336	1.718	2	3	5	CCO[C@@H]1C[C@@H]1C(=O)Nc1ccc(C)cc1C(=O)NC
178291352	ZINC000236973853	ref	3.65	-42.51	1	355.276	1.857	3	2	6	CC[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)Cc1cccc(Br)c1
365621539	ZINC000172813563	ref	5.11	-29.35	0	297.376	1.442	1	4	6	CCS(=O)(=O)C[C@@H](C)NC(=O)c1ccccc1C(C)=O
398246076	ZINC000645407077	ref	2.96	-11.07	0	244.298	1.154	2	5	4	CC#CC[C@H](CO)Nc1ccnc2c1cnn2C
178291354	ZINC000236981966	ref	8.15	-47.7	-1	359.426	1.958	1	6	9	CCOc1ccc(C[C@@H](CNC(=O)Cn2nc(C)cc2C)C(=O)[O-])cc1
178291356	ZINC000236972168	ref	6.35	-62.09	-1	365.455	1.819	1	6	7	CCc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCc1c(C)nn(C)c1C
178291358	ZINC000236985355	ref	3.64	-55.9	1	353.488	1.574	2	3	8	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1
365621543	ZINC000330572307	ref	3.3	-14.7	0	253.258	1.222	2	4	4	O=C(NC[C@H]1CCCCO1)c1cc([N+](=O)[O-])c[nH]1
365621550	ZINC000172806957	ref	5.28	-46.92	1	275.304	1.786	2	4	3	COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](O)C3)ccc2o1
365621556	ZINC000172806957	mid	5.39	-45.4	1	275.304	1.786	2	4	3	COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](O)C3)ccc2o1
365621558	ZINC000172806957	high	2.74	-8.19	0	275.304	1.786	1	5	3	COC(=O)c1cc2cc(CN3CC[C@@H](O)C3)ccc2o1
365621563	ZINC000567750810	ref	2.86	-12.11	0	293.363	1.928	3	4	6	COc1cccc(C(=O)N[C@@H](C2CC2)C(C)(C)CO)c1O
398246080	ZINC000639101394	ref	2.17	-40.81	1	244.335	0.104	1	3	6	CO[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1CCOC1
365621564	ZINC000567750810	high	3.92	-58.73	-1	293.363	1.928	2	4	6	COc1cccc(C(=O)N[C@@H](C2CC2)C(C)(C)CO)c1[O-]
178291360	ZINC000236985104	ref	5.14	-54.12	1	360.502	1.584	2	3	9	CCCN(CCC)C(=O)c1cccc(C(=O)NCCN2CC[NH2+]CC2)c1
398246090	ZINC000639101394	high	1.07	-10.03	0	244.335	0.104	1	4	6	CO[C@H](CN[C@@H](C)C(=O)N(C)C)[C@@H]1CCOC1
398246097	ZINC000191989734	ref	7.94	-8.65	0	234.299	2.577	0	4	7	C=CCC(CC=C)C(=O)Oc1cnn(CC)c1
214189499	ZINC000278492151	mid	6.34	-8.77	0	320.776	3.38	2	4	6	Cc1ccc([C@H](O)CNCc2ccc([N+](=O)[O-])cc2Cl)cc1
349535622	ZINC000093299651	ref	2.34	-7.26	0	280.299	0.993	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1O
365621568	ZINC000565289209	ref	4.38	-13.22	0	285.347	1.48	2	4	6	N#Cc1ccncc1C(=O)N[C@@H](C1CC1)[C@@H](CO)C1CC1
398246106	ZINC000457184069	ref	2.03	-17.67	0	240.307	0.925	1	3	4	C[C@@H](CC(C)(C)C)NC(=O)CN1CN=NC1=O
282120107	ZINC000151585668	ref	1.86	-14.54	0	304.35	2.17	1	6	6	Cc1noc(C)c1CCNC(=O)/C=C/c1nnc(C(C)C)o1
365621540	ZINC000623049073	ref	2.27	-13.52	0	324.381	1.417	1	6	3	Cc1noc([C@H]2CC[C@@H](CNC(=O)N3C[C@@H](C)O[C@H](C)C3)O2)n1
349535626	ZINC000618814383	ref	6.97	-21.92	0	284.323	1.043	0	6	3	Cc1ccn2cc(C(=O)N(C)Cc3cn(C)nn3)nc2c1
365621542	ZINC000623046149	ref	4.11	-16.31	0	317.38	1.091	1	3	5	CN1CCN(CC(=O)N[C@@H](C(F)F)C2CCCCC2)CC1=O
365621544	ZINC000623045891	ref	5.78	-35.31	-1	324.331	1.966	1	4	4	O=C(N[C@@H](C(F)F)C1CCCCC1)c1c[n-]n2c(=O)ccnc12
365621548	ZINC000623046994	ref	7.44	-10.53	0	315.417	1.864	0	3	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)C[C@@H]1CCC(=O)N1C
398246085	ZINC000651452574	ref	9.37	-10.37	0	270.376	3.48	1	1	1	C[C@H]1Cc2ccccc2N1C(=O)NC1CC2(CCC2)C1
365621552	ZINC000623049361	ref	2.06	-17.19	0	320.353	1.636	2	7	5	CCn1nccc1NC(=O)NC[C@@H]1CC[C@H](c2nc(C)no2)O1
178291359	ZINC000295510445	ref	4.87	-6.1	0	249.31	2.702	1	4	2	Cc1cc2c(cc1N[C@@H]1C[C@H](C)O[C@@H]1C)OCO2
343994321	ZINC000084190609	ref	6.62	-10.71	0	248.351	2.928	1	3	2	CC1(C)CCC[C@@H]1NC(=O)c1cc(C#N)cs1
365621555	ZINC000623045892	ref	5.53	-40.75	-1	324.331	1.966	1	4	4	O=C(N[C@H](C(F)F)C1CCCCC1)c1c[n-]n2c(=O)ccnc12
365621559	ZINC000623045232	ref	1.79	-17.7	0	312.382	1.254	2	3	6	C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C(F)F)C1CCCCC1
190491920	ZINC000269403942	ref	7.72	-11.12	0	269.348	2.733	0	3	3	Cc1cccnc1C(=O)N(C)c1ccccc1N(C)C
365621561	ZINC000623048897	ref	1.14	-19.03	0	320.353	1.636	2	7	5	CCn1cc(NC(=O)NC[C@@H]2CC[C@H](c3nc(C)no3)O2)cn1
398246087	ZINC000651448794	ref	3.95	-8.24	0	290.367	3.085	1	5	4	CCCc1cc(-c2nc([C@H]3CCOC(C)(C)C3)no2)n[nH]1
365621565	ZINC000623047638	ref	3.76	-19.47	0	310.419	1.077	0	4	4	Cc1ccccc1N(C)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1
349535631	ZINC000106892976	ref	3.1	-14.9	0	298.364	1.092	1	5	4	COC(=O)C1CCC(NS(=O)(=O)c2cccnc2)CC1
365621570	ZINC000623046827	ref	3.27	-14.71	0	312.373	1.594	2	3	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)c1c[nH]c(C(N)=O)c1
365621573	ZINC000623047732	ref	9.35	-14.24	0	310.361	1.77	1	6	4	Cc1ccccc1N(C)C(=O)CCn1cnc2c(N)ncnc21
365621577	ZINC000623046115	ref	3.13	-16.9	0	318.364	1.298	2	3	4	CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](C(F)F)C1CCCCC1
343994330	ZINC000625559105	ref	2.74	-9.84	0	203.307	1.448	1	2	7	C=CCCCS(=O)(=O)NC/C=C/C
214189500	ZINC000278492517	ref	7.63	-11.67	0	308.397	3.171	1	2	4	CC(C)N(Cc1ccccc1F)C(=O)N[C@H]1CCOC[C@@H]1C
365621541	ZINC000641590292	ref	2.23	-15.41	0	257.293	1.078	2	3	1	Cc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c2[nH]ncc2c1
365621545	ZINC000641590292	mid	2.25	-22.78	0	257.293	1.078	2	3	1	Cc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c2n[nH]cc2c1
197596215	ZINC000290101912	ref	3.83	-13.79	0	280.324	0.959	1	5	3	Cc1noc(C)c1CNC(=O)[C@@H]1OC[C@@H]2COCC[C@@H]21
197596217	ZINC000290103423	ref	4.32	-9.75	0	287.367	1.682	2	5	6	CC(C)[C@H](CNC(=O)c1cn(C)nn1)Nc1ccccc1
365621546	ZINC000641590312	ref	3.43	-12.75	0	284.315	1.857	1	4	2	Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
214189504	ZINC000278493643	ref	8.2	-11.32	0	310.419	2.79	0	5	5	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1scnc1C
185089825	ZINC000096076569	ref	4.73	-39.73	1	280.372	0.251	2	4	2	Cc1nc[nH]c1CN1CCO[C@@]2(COCC[N@@H+](C)C2)C1
365621551	ZINC000641589770	ref	3.46	-12.72	0	259.305	1.146	1	3	1	O=C([C@@H]1CCOc2ccccc21)N1C[C@@H]2C[C@]2(O)C1
282120108	ZINC000533443891	ref	5.67	-22.6	0	289.379	1.387	1	3	5	CCC(=O)N1CC[C@@H](C(=O)N[C@H](C)Cc2ccncc2)C1
282120114	ZINC000533443676	ref	4.71	-6.73	0	255.358	1.733	1	3	6	COCCC1(C(=O)N[C@H]2C[C@@H](OC)C2(C)C)CC1
295666504	ZINC000426736245	ref	8.54	-6.99	0	268.426	2.712	1	2	2	CS[C@H]1CCCCN(C(=O)N[C@H]2[C@H]3CCC[C@H]32)C1
342082142	ZINC000625330842	mid	8.15	-76.7	2	264.417	1.998	1	3	7	CCN(CCn1ccnc1C)C[C@@H]1CCC[N@H+]1CC
282120118	ZINC000533442266	ref	6.28	-49.91	1	295.427	1.091	2	2	5	CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1
192038092	ZINC000418465557	ref	-0.17	-51.11	1	241.335	0.35	4	2	7	C/C=C\C[C@H](CO)NC(=O)N[C@@H](C[NH3+])C1CC1
214189507	ZINC000278493951	ref	4.13	-7.99	0	305.765	2.326	1	4	5	CN(C(=O)c1cnc(Cl)cn1)[C@@H](CCO)c1ccccc1
282120124	ZINC000533442266	mid	6.23	-50.66	1	295.427	1.091	2	2	5	CCC(=O)N1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1
342082143	ZINC000625330842	mid	7.78	-43.82	1	264.417	1.998	1	2	7	CCN(CCn1cc[nH+]c1C)C[C@@H]1CCC[N@@H+]1CC
342082144	ZINC000625330842	mid	7.72	-43.67	1	264.417	1.998	1	2	7	CCN(CCn1cc[nH+]c1C)C[C@@H]1CCC[N@H+]1CC
342082145	ZINC000625330842	high	7.78	-43.82	1	264.417	1.998	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)CCn1ccnc1C
342082146	ZINC000625330842	high	7.72	-43.67	1	264.417	1.998	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)CCn1ccnc1C
342082147	ZINC000625330140	ref	4.2	-9.12	0	297.362	1.622	1	5	4	O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cn(C2CC2)nn1
214189511	ZINC000278492187	ref	0.17	-12.13	0	311.329	2.151	3	4	5	C[C@H](CO)CNC(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1
214189514	ZINC000278493867	ref	6.59	-6.6	0	313.195	2.433	0	4	2	Brc1cccnc1N1CCC(C2OCCO2)CC1
214189516	ZINC000278492275	ref	5.53	-20.95	0	302.378	1.481	1	5	4	Cc1ccc(CNC(=O)c2cn(C)nc2C(C)C)c(=O)n1C
214189519	ZINC000278491907	ref	5.97	-44.37	1	320.437	2.915	1	4	3	C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cnccn1
398246096	ZINC000651447710	ref	8.7	-4.22	0	273.767	3.296	0	3	1	C[C@H]1CN(c2ncncc2Cl)CCc2ccccc21
398246100	ZINC000651445455	ref	8.18	-10.73	0	267.332	3.476	0	4	3	Cc1c(CN(C)c2cnccn2)oc2c(C)cccc12
398246103	ZINC000651447657	ref	7.9	-12.58	0	290.37	3.191	0	4	1	C[C@H]1CN(c2ccc3nccnc3n2)CCc2ccccc21
398246111	ZINC000651445882	ref	3.96	-8.25	0	291.376	3.369	0	6	3	CC1(C)C[C@@H](c2noc(/C=C/c3cscn3)n2)CCO1
342082148	ZINC000625327879	ref	5.23	-44.82	1	275.414	1.31	1	3	6	CCO[C@@H](C[N@@H+]1CCC[C@H](S(C)(=O)=O)C1)C1CC1
342082149	ZINC000625327879	mid	4.66	-44.14	1	275.414	1.31	1	3	6	CCO[C@@H](C[N@H+]1CCC[C@H](S(C)(=O)=O)C1)C1CC1
398246115	ZINC000651448111	ref	6.71	-5.21	0	271.364	3.359	0	4	2	CC(C)c1noc(N2CCc3ccccc3[C@@H](C)C2)n1
214189521	ZINC000278491907	high	4.8	-7.32	0	320.437	2.915	1	5	3	C[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C)C1)c1cnccn1
214189525	ZINC000278492717	ref	9.43	-8.52	0	321.218	3.425	1	1	3	C#CCN(CC)C(=O)Nc1cc2c(cc1Br)CCC2
214189527	ZINC000278493746	ref	6.25	-17.24	0	316.401	3.035	2	3	5	CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1ccc(NC(=O)C2CC2)cc1
214189531	ZINC000278493081	ref	5.05	-18.37	0	303.189	2.607	1	2	6	CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CCCC(N)=O
342082150	ZINC000625327879	mid	2.6	-11.76	0	275.414	1.31	0	4	6	CCO[C@@H](CN1CCC[C@H](S(C)(=O)=O)C1)C1CC1
342082151	ZINC000625330574	ref	4.52	-11.14	0	295.404	1.847	1	3	5	O=S(=O)(CC1CCC1)NC[C@@H]1Cc2ccccc2CO1
178291382	ZINC000272680512	ref	5.26	-6.97	0	245.278	3.237	1	4	3	Cc1cc2c(cc1NCc1occc1C)OCO2
214189534	ZINC000278493986	ref	5.4	-50.0	1	314.842	1.951	2	5	5	C[N@H+](CCCO)C1CCN(c2nc(Cl)c(C#N)s2)CC1
178291388	ZINC000272730577	ref	4.24	-9.6	0	245.282	2.069	1	5	3	Cc1cc2c(cc1NCc1ccn(C)n1)OCO2
349535627	ZINC000093301034	ref	1.84	-8.71	0	294.355	0.205	2	5	1	Cc1nn(C)c(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)c1C
349535632	ZINC000093293685	ref	5.02	-45.59	1	280.376	0.346	3	4	5	CC1CC[NH+](CCNC(=O)NCc2ncn(C)n2)CC1
349535635	ZINC000618816369	ref	2.95	-11.75	0	273.336	1.616	3	3	4	C[C@H](CCO)NC(=O)N[C@H]1CCc2cc(C#N)ccc21
342597838	ZINC000616984256	ref	5.61	-8.55	0	281.356	1.15	0	5	7	CC[C@@H](C)N(CC)C(=O)c1ccc(=O)n(CCOC)n1
187169752	ZINC000125096948	ref	8.22	-38.06	1	276.384	2.338	2	2	2	Cc1cccc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)n1
365621554	ZINC000641589900	ref	3.1	-15.66	0	277.711	1.194	1	4	1	O=C(c1cnn2cccc(Cl)c12)N1C[C@H]2C[C@@]2(O)C1
365621560	ZINC000479709161	ref	2.9	-9.13	0	281.381	1.27	2	4	6	CCc1nc(C)c(C(=O)NCC(=O)NCC2CC2)s1
342597839	ZINC000590806618	ref	4.3	-13.91	0	273.336	1.784	2	3	2	C[C@@H](NC(=O)N1CC[C@@H](O)[C@H]1C)c1ccc(C#N)cc1
342597840	ZINC000616984066	ref	5.67	-10.82	0	294.307	1.902	1	5	5	CC[C@]1(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CCOC1
342597841	ZINC000616984174	ref	4.24	-14.41	0	261.387	1.458	0	3	5	CC[C@@H](C)N(CC)C(=O)C[C@H]1CCS(=O)(=O)C1
342597842	ZINC000616984067	ref	5.61	-10.82	0	294.307	1.902	1	5	5	CC[C@@]1(NC(=O)c2cc([N+](=O)[O-])ccc2OC)CCOC1
342597843	ZINC000616983231	ref	7.15	-15.37	0	280.368	1.755	0	4	7	CC[C@H](C)N(CC)C(=O)c1ccc(=O)n(CCOC)c1
299072346	ZINC000358087214	ref	0.21	-12.89	0	307.272	1.468	2	4	7	COc1ncccc1CCNC(=O)NCCOC(F)(F)F
197596243	ZINC000290101315	ref	5.83	-15.44	0	274.324	1.599	0	5	5	CC(=O)N(C)CCc1noc(/C=C/c2ccn(C)c2)n1
342597844	ZINC000616983822	ref	5.08	-21.89	0	263.403	1.704	0	3	7	CC[C@@H](C)N(CC)C(=O)CS(=O)(=O)CC(C)C
365621566	ZINC000641590038	ref	1.5	-12.69	0	253.323	1.101	1	4	3	COCc1csc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
342597845	ZINC000590806582	ref	7.25	-50.82	1	290.411	1.852	3	2	5	N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1
214189523	ZINC000337634435	ref	8.55	-18.14	0	299.374	2.306	1	2	5	C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc[nH]1
365621569	ZINC000641590274	ref	5.49	-16.0	0	298.346	1.036	1	5	3	CCc1nc(C(=O)N2C[C@@H]3C[C@]3(O)C2)nn1-c1ccccc1
342597846	ZINC000590806582	mid	7.4	-51.44	1	290.411	1.852	3	2	5	N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)C1
342597847	ZINC000590806582	high	4.91	-14.94	0	290.411	1.852	2	3	5	N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(CC3CC3)C2)C1
342597848	ZINC000616982757	ref	8.91	-11.51	0	270.402	1.943	0	5	6	CC[C@@H](C)N(CC)C(=O)[C@@H](C)Sc1nncn1C
349535639	ZINC000618815782	ref	5.54	-19.61	0	259.313	1.045	0	5	4	CCc1cccc(C(=O)N(C)Cc2cn(C)nn2)n1
365621572	ZINC000641589975	ref	1.63	-12.33	0	253.323	1.101	1	4	3	COCc1sccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365621571	ZINC000172816340	ref	2.43	-17.05	0	282.344	1.595	2	5	6	CCn1nc(C)c(NC(=O)CCCNC(=O)OC)c1C
365621574	ZINC000172806926	ref	4.45	-47.52	1	262.309	1.078	2	3	3	O=C1O[C@H](C[N@H+]2CC[C@@H](O)C2)CN1c1ccccc1
365621578	ZINC000172806926	mid	4.38	-49.44	1	262.309	1.078	2	3	3	O=C1O[C@H](C[N@@H+]2CC[C@@H](O)C2)CN1c1ccccc1
365621580	ZINC000172806926	high	1.9	-12.49	0	262.309	1.078	1	4	3	O=C1O[C@H](CN2CC[C@@H](O)C2)CN1c1ccccc1
365621583	ZINC000172804870	ref	2.51	-21.32	0	264.325	1.203	2	3	7	CNC(=O)c1cccc(C(=O)NCCCCOC)c1
365621587	ZINC000172818400	ref	2.87	-8.72	0	267.325	1.615	1	4	8	COCCC(=O)NC[C@H](C)Oc1cccc(OC)c1
178291363	ZINC000236982792	ref	5.02	-53.23	1	353.488	1.541	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1
365621592	ZINC000158193512	ref	3.45	-60.77	1	293.758	1.38	2	4	5	Cc1ccc(Cl)cc1NC(=O)Cn1cc(CC[NH3+])nn1
178291364	ZINC000236970574	ref	5.53	-52.04	1	351.451	1.219	2	6	7	CCOC(=O)[C@H](NC(=O)c1nnn(C2CC[NH2+]CC2)c1C)[C@H](C)CC
365621601	ZINC000172810768	ref	5.3	-11.29	0	292.335	1.636	2	4	6	CCOC(=O)CCC(=O)Nc1ccc(C)cc1C(=O)NC
178291366	ZINC000236982007	ref	5.63	-60.73	1	353.413	1.548	1	3	4	CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1
178291367	ZINC000236982007	mid	4.27	-11.7	0	353.413	1.548	1	4	4	CC[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)[C@@H]2CNCCO2)CC1
365621604	ZINC000172805304	ref	0.75	-23.78	0	293.352	1.03	2	6	6	CCCc1ncc(C(=O)Nc2cnn(CC(N)=O)c2)s1
178291369	ZINC000236982007	low	7.92	-122.04	2	353.413	1.548	2	2	4	CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1
190491929	ZINC000269407018	ref	3.69	-7.54	0	260.293	3.064	2	4	3	Cc1cc(NC(=O)c2cc(C(C)C)no2)ccc1O
346818906	ZINC000067770106	ref	6.65	-8.39	0	275.377	2.681	0	4	4	CCc1nc(CN(C)C(=O)c2cccc(C)n2)cs1
346818913	ZINC000067769448	ref	4.66	-11.63	0	257.249	2.612	0	6	4	Cc1nc(-c2ccc(OCc3ccno3)cc2)no1
346818922	ZINC000067767943	ref	5.38	-10.8	0	284.724	2.557	0	6	4	COC(=O)c1cccc(OCc2nnsc2Cl)c1
346818929	ZINC000067762644	ref	6.51	-10.12	0	270.398	2.829	1	4	7	CCCCS[C@@H](C)C(=O)NCc1c(C)noc1C
346818933	ZINC000067768054	ref	6.31	-8.39	0	298.751	2.947	0	6	5	CCOC(=O)c1ccc(OCc2nnsc2Cl)cc1
346818941	ZINC000067761356	ref	6.49	-9.27	0	253.346	2.621	1	3	5	CCC[C@@H](C)N(C)C(=O)NCc1c(C)noc1C
346818948	ZINC000067762052	ref	7.21	-6.68	0	298.333	2.796	1	2	4	CCN(C(=O)C(=O)Nc1cccc(F)c1F)[C@H](C)C(C)C
214189526	ZINC000337636497	ref	3.88	-48.77	1	275.393	0.367	3	3	10	CCN(CCOCCO)C(=O)N[C@H](C)CC[NH+](C)C
365621575	ZINC000641589812	ref	5.27	-11.96	0	271.36	1.874	1	2	1	C[C@]1(C(=O)N2C[C@@H]3C[C@]3(O)C2)CCCc2ccccc21
259308710	ZINC000322996850	ref	4.01	-6.3	0	209.293	2.012	1	4	5	CC[C@](C)(CNc1ccnc(C)n1)OC
214189530	ZINC000337632727	ref	7.28	-16.14	0	264.325	2.186	1	4	4	CCOC(=O)c1cc(NC(=O)[C@@H]2CC2(C)C)cn1C
282120111	ZINC000424368155	ref	6.03	-48.09	-1	343.445	2.481	1	5	8	CCC(CC)(CNS(=O)(=O)c1cc(C)cc(C)c1OC)C(=O)[O-]
214189539	ZINC000337633373	ref	3.14	-8.75	0	262.338	2.165	1	5	3	Cc1ncc(NC(=O)c2cc(N(C)C)ccn2)s1
178291372	ZINC000236984972	ref	4.29	-64.41	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1
178291374	ZINC000236966393	ref	4.11	-49.8	1	355.504	1.878	2	3	8	CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C)cc1
185089826	ZINC000096076569	mid	4.9	-40.22	1	280.372	0.251	2	4	2	Cc1nc[nH]c1CN1CCO[C@@]2(COCC[N@H+](C)C2)C1
214189543	ZINC000337635981	ref	4.33	-15.51	0	281.368	2.085	1	2	5	C[C@H](CC[S@@](C)=O)NC(=O)[C@@H]1CCCC(F)(F)C1
282120121	ZINC000336854663	ref	6.02	-64.22	-1	330.362	1.764	1	6	8	CCC(CC)(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]
282120131	ZINC000336854663	high	5.74	-131.53	-2	330.362	1.764	0	6	8	CCC(CC)(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)[O-]
282120138	ZINC000424366960	ref	6.4	-88.17	0	342.461	1.917	2	4	9	CCC(CC)(CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C(=O)[O-]
214189556	ZINC000337635054	ref	-0.24	-18.08	0	293.314	0.957	3	3	6	CC(C)(CNC(=O)N[C@H]1CCC[C@@H]1OC(F)F)C(N)=O
214189560	ZINC000337632532	ref	7.67	-7.87	0	275.274	3.193	2	2	3	C[C@@H]1CCC[C@@H]1CC(=O)Nc1nc(C(F)(F)F)c[nH]1
192038094	ZINC000418464611	ref	1.62	-50.92	1	243.351	0.84	3	2	6	CCC[C@@]1(NC(=O)NC[C@@H](C)C[NH3+])CCOC1
214189563	ZINC000337632532	mid	7.59	-6.89	0	275.274	3.193	2	2	3	C[C@@H]1CCC[C@@H]1CC(=O)Nc1ncc(C(F)(F)F)[nH]1
214189567	ZINC000337632630	ref	8.19	-13.6	0	299.418	3.196	1	3	6	CCC(C)(C)c1ccc(CNC(=O)Cn2cc(C)cn2)cc1
282120143	ZINC000424366960	high	3.96	-54.57	-1	342.461	1.917	1	5	9	CCC(CC)(CNS(=O)(=O)c1ccc(CN(C)C)cc1)C(=O)[O-]
214189575	ZINC000337636189	ref	1.16	-17.18	0	297.355	0.385	2	5	8	CCN(CCOCCO)C(=O)c1c[nH]nc1[C@@H]1CCOC1
349535636	ZINC000594973011	ref	7.74	-49.06	1	265.426	2.662	1	3	8	CCc1ncc(C[NH2+]CCC2(CSC)CC2)cn1
214189583	ZINC000337633840	ref	-2.38	-9.86	0	270.289	-0.002	3	5	7	CC[C@@H](COC)NC(=O)NCc1cc(C(N)=O)no1
178291376	ZINC000236966393	high	3.81	-11.54	0	355.504	1.878	2	4	8	CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)[C@@H](N)C(C)C)cc1
210256514	ZINC000272862582	ref	6.75	-46.96	1	320.393	1.346	2	3	6	CN(CC[NH+](C)C)C(=O)NCc1ccc(N2CCOC2=O)cc1
210256516	ZINC000272862582	high	4.28	-18.33	0	320.393	1.346	1	4	6	CN(C)CCN(C)C(=O)NCc1ccc(N2CCOC2=O)cc1
185089828	ZINC000096076569	mid	2.96	-8.01	0	280.372	0.251	1	5	2	Cc1nc[nH]c1CN1CCO[C@@]2(COCCN(C)C2)C1
178291377	ZINC000236971203	ref	3.26	-51.48	1	356.264	1.669	3	2	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1
178291379	ZINC000236971203	high	2.98	-11.58	0	356.264	1.669	3	3	7	CC[C@@H](C)[C@@H](N)C(=O)NCCNC(=O)c1cccc(Br)c1
178291380	ZINC000236970512	ref	5.77	-56.55	1	357.414	1.237	2	6	6	CCOC(=O)[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1
178291383	ZINC000236968732	ref	6.79	-55.17	-1	365.449	1.952	1	5	7	CC[C@H](C)[C@H](NC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1)C(=O)[O-]
210256523	ZINC000272862854	ref	6.56	-15.81	0	314.267	1.539	2	4	4	C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nn1cn[nH]c1=O
210256525	ZINC000272862004	ref	8.69	-12.41	0	319.401	3.17	0	4	4	COC1(C(=O)Oc2ccc(N(C)C(=O)C(C)(C)C)cc2)CCC1
282120112	ZINC000071874927	ref	8.05	-12.52	0	298.325	2.096	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1ncnc3cccc(F)c13)CC2
210256529	ZINC000272862453	ref	6.51	-21.36	0	309.369	1.975	1	3	4	O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cccc2cnccc12
210256466	ZINC000019524602	low	8.83	-57.06	1	397.479	1.997	1	7	5	CCn1cc(C[N@@H+]2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c(C)n1
178291384	ZINC000236968732	low	9.03	-67.68	0	365.449	1.952	2	4	7	CC[C@H](C)[C@H](NC(=O)[C@H](C)[NH+]1CCN(c2ccc(F)cc2)CC1)C(=O)[O-]
210256230	ZINC000428366637	low	3.8	-46.28	1	331.376	0.254	2	6	5	COc1cc(OC)c2ncnc(N3CC[NH+](CC(N)=O)CC3)c2c1
168365003	ZINC000368498720	ref	5.71	-13.44	0	338.835	3.061	1	3	3	COc1cccc(Cl)c1CNC(=O)N1CC[C@]2(CCCOC2)C1
178291385	ZINC000236982693	ref	4.78	-54.69	1	361.421	1.979	2	5	6	CCOc1ccc(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1F
178291387	ZINC000236968490	ref	5.49	-52.75	1	353.488	1.461	1	3	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCC[NH2+]CC2)ccc1C
342082152	ZINC000625330839	ref	6.6	-28.38	1	284.444	1.844	1	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H](OC)[C@@H]1CCOC1
342082153	ZINC000625330839	mid	5.56	-33.29	1	284.444	1.844	1	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H](OC)[C@@H]1CCOC1
342597849	ZINC000616983229	ref	7.24	-15.04	0	280.368	1.755	0	4	7	CC[C@@H](C)N(CC)C(=O)c1ccc(=O)n(CCOC)c1
168365002	ZINC000037466624	ref	1.35	-38.71	1	129.203	0.903	1	1	2	C[C@@H]([NH3+])C[C@H]1CCCO1
342597850	ZINC000616983130	ref	8.62	-22.57	0	261.329	1.314	0	5	5	CC[C@H](C)N(CC)C(=O)Cc1nc2ncccn2n1
365621579	ZINC000623047029	ref	7.71	-21.46	0	301.394	1.527	0	5	5	Cc1ccccc1N(C)C(=O)CN(C)Cc1nnc(C)n1C
168365005	ZINC000044460951	ref	3.66	-40.19	1	193.246	1.564	1	2	2	C[C@@H]([NH3+])C[C@@H]1COc2ccccc2O1
168365009	ZINC000076087901	ref	5.98	-37.0	1	193.294	1.577	1	2	2	C[C@@H]([NH3+])C[C@H]1CCCc2c1ncn2C
342597851	ZINC000590813143	ref	3.78	-53.01	1	263.341	1.39	2	2	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccc(=O)[nH]c2)C1
197596249	ZINC000162862085	ref	3.6	-68.74	-1	319.336	1.562	1	5	3	O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC[C@H](CO)C1
342597852	ZINC000590804745	ref	2.08	-11.73	0	296.415	1.335	2	4	7	CC[C@@H](C)[C@H](CNC(=O)NC1CCN(CC#N)CC1)OC
168365011	ZINC000076087901	mid	6.18	-97.08	2	193.294	1.577	1	1	2	C[C@@H]([NH3+])C[C@H]1CCCc2c1[nH+]cn2C
168365013	ZINC000044410440	ref	4.58	-77.51	0	179.219	1.275	1	2	3	C[C@@H]([NH3+])Cc1ccc(C(=O)[O-])cc1
342597853	ZINC000616982494	ref	6.93	-27.96	0	290.367	1.521	1	4	5	CC[C@H](C)N(CC)C(=O)Cc1c(C)[nH]c2ccnn2c1=O
342597854	ZINC000590807327	ref	4.45	-14.8	0	291.395	1.274	1	3	7	CCNC(=O)CN(C)C(=O)[C@H](c1ccccc1)N(C)CC
342597855	ZINC000590807327	mid	6.7	-39.32	1	291.395	1.274	2	2	7	CCNC(=O)CN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC
185089830	ZINC000096076569	low	5.2	-85.55	2	280.372	0.251	2	3	2	Cc1[nH+]c[nH]c1CN1CCO[C@@]2(COCC[N@@H+](C)C2)C1
365621584	ZINC000623047639	ref	4.02	-19.98	0	310.419	1.077	0	4	4	Cc1ccccc1N(C)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1
349535638	ZINC000093293685	high	2.64	-12.92	0	280.376	0.346	2	5	5	CC1CCN(CCNC(=O)NCc2ncn(C)n2)CC1
342597856	ZINC000590807327	mid	6.63	-40.09	1	291.395	1.274	2	2	7	CCNC(=O)CN(C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC
185089831	ZINC000096076569	low	5.37	-84.41	2	280.372	0.251	2	3	2	Cc1[nH+]c[nH]c1CN1CCO[C@@]2(COCC[N@H+](C)C2)C1
201705207	ZINC000006909466	low	8.79	-101.27	2	329.444	2.318	2	3	9	O[C@@H](C[NH2+]CCCn1cc[nH+]c1)CO[C@@H]1CCCc2ccccc21
178291389	ZINC000236968490	high	4.2	-17.65	0	353.488	1.461	1	4	5	CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCCNCC2)ccc1C
168365016	ZINC000040410298	ref	0.96	-116.63	2	158.245	0.102	2	1	4	C[C@@H]([NH3+])C[NH2+]C[C@H]1CCCO1
342597857	ZINC000616983848	ref	7.09	-20.54	0	294.399	1.549	0	4	7	CC[C@H](C)N(CC)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1
282120113	ZINC000449148957	mid	7.87	-91.19	2	295.471	2.096	2	1	4	CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C
365621581	ZINC000641589873	ref	2.14	-11.78	0	287.36	1.081	0	4	3	CN(C)S(=O)(=O)[C@H]1CCCN(c2ccncc2F)C1
178291390	ZINC000236970752	ref	4.51	-46.15	1	352.91	1.952	2	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
365621586	ZINC000641589873	low	2.61	-44.07	1	287.36	1.081	0	3	3	CN(C)S(=O)(=O)[C@H]1CCCN(c2cc[nH+]cc2F)C1
365621590	ZINC000641590177	ref	5.02	-11.91	0	285.299	1.308	1	4	1	Cc1c(C(=O)N2C[C@H]3C[C@@]3(O)C2)oc(=O)c2ccccc12
178291392	ZINC000236970752	mid	6.9	-107.11	2	352.91	1.952	3	2	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1
398246105	ZINC000390776255	ref	7.12	-39.74	1	246.354	1.782	1	2	5	CC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C1
178291394	ZINC000236970752	high	4.23	-7.46	0	352.91	1.952	2	4	7	CC[C@@H](C)[C@@H](N)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
178291396	ZINC000236978695	ref	5.32	-55.02	-1	350.156	1.848	2	3	5	CC[C@H](C)[C@H](NC(=O)c1cc(I)c[nH]1)C(=O)[O-]
178291397	ZINC000236983368	ref	6.35	-92.51	2	350.511	1.607	3	4	6	Cc1c(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)nnn1C1CC[NH2+]CC1
365621596	ZINC000479707322	ref	2.8	-16.41	0	288.351	1.136	3	3	4	CC(C)(C)NC(=O)CNC(=O)Cc1ccc2c[nH]nc2c1
365621606	ZINC000641589768	ref	3.47	-12.85	0	259.305	1.146	1	3	1	O=C([C@@H]1CCOc2ccccc21)N1C[C@H]2C[C@@]2(O)C1
178291399	ZINC000236971414	ref	4.78	-57.21	1	367.515	1.755	2	3	7	CCN(CC)S(=O)(=O)c1cc(C(=O)NC[C@H]2CCC[NH2+]C2)ccc1C
178291401	ZINC000236965206	ref	5.85	-52.7	-1	363.151	1.893	1	4	5	CC[C@@H](NC(=O)c1ccc(OC)cc1I)C(=O)[O-]
178291402	ZINC000236983397	ref	5.98	-53.43	1	367.515	1.789	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1
214189532	ZINC000293639895	ref	7.88	-23.57	0	371.397	0.65	1	7	6	Cn1cnn(CCC(=O)Nc2ccc(CN3C(=O)CCCC3=O)cc2)c1=O
365621610	ZINC000641589817	ref	4.84	-12.67	0	273.332	1.284	1	3	2	O=C(C[C@@H]1OCCc2ccccc21)N1C[C@H]2C[C@@]2(O)C1
214189537	ZINC000293644550	ref	2.93	-19.16	0	353.448	0.632	0	7	4	Cc1cc(C)n(C[C@H]2CN(S(=O)(=O)c3cnn(C)c3C)CCO2)n1
178291404	ZINC000236979642	ref	8.3	-46.93	-1	359.426	1.811	1	6	10	CCOc1ccc(C[C@@H](CNC(=O)CCc2cnn(C)c2)C(=O)[O-])cc1
178291407	ZINC000236983575	ref	5.92	-39.31	1	353.488	1.541	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1
365621615	ZINC000641590553	ref	3.83	-13.98	0	265.284	1.106	1	3	3	CO[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccc(F)cc1
342597858	ZINC000616982498	ref	1.24	-13.77	0	290.41	1.656	1	4	5	CC[C@@H](C)N(CC)C(=O)c1ccc(S(N)(=O)=O)s1
342597859	ZINC000616983849	ref	7.11	-16.5	0	294.399	1.549	0	4	7	CC[C@H](C)N(CC)C(=O)CN(C)C(=O)[C@H](C)n1cccn1
365621588	ZINC000623045206	ref	0.31	-45.45	-1	302.281	1.227	2	4	4	O=C(N[C@@H](C(F)F)C1CCCCC1)c1n[nH]c(=O)[n-]c1=O
282120117	ZINC000449148957	high	5.83	-35.0	1	295.471	2.096	1	2	4	CC[C@@H]1CN2CCC[C@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C
342597860	ZINC000616983139	ref	5.12	-16.71	0	278.352	1.811	1	3	7	CC[C@H](C)N(CC)C(=O)c1cccc(OCC(N)=O)c1
342597861	ZINC000590804732	ref	2.61	-11.15	0	250.346	1.24	2	3	5	CC/C=C/CNC(=O)NC1CCN(CC#N)CC1
214189536	ZINC000278493986	mid	5.4	-50.14	1	314.842	1.951	2	5	5	C[N@@H+](CCCO)C1CCN(c2nc(Cl)c(C#N)s2)CC1
299072347	ZINC000270395986	ref	4.98	-10.47	0	250.346	2.301	2	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1cn[nH]c1
342597862	ZINC000616983702	ref	5.99	-15.76	0	271.39	1.339	0	6	7	CC[C@@H](C)N(CC)C(=O)CCSc1nnnn1C
214189541	ZINC000278493586	ref	9.1	-15.22	0	324.808	3.073	0	4	5	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cccnc1Cl
214189544	ZINC000278492593	ref	5.62	-13.22	0	315.417	1.883	2	3	7	O=C(CCCNC(=O)C1CC1)NCc1ccc2c(n1)CCCC2
282120120	ZINC000449149395	ref	6.09	-37.85	1	296.455	2.33	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C
342597863	ZINC000616982706	ref	4.05	-17.4	0	276.402	1.059	0	3	6	CC[C@H](C)N(CC)C(=O)CCN1CCCS1(=O)=O
342597864	ZINC000616983152	ref	7.66	-16.1	0	250.342	1.885	0	3	6	CC[C@@H](C)N(CC)C(=O)CCn1ccccc1=O
342597865	ZINC000616983260	ref	7.48	-14.57	0	290.371	1.436	1	5	6	CC[C@H](C)N(CC)C(=O)CN(C)c1ncnc2nc[nH]c12
197596268	ZINC000290103802	ref	6.38	-10.08	0	284.363	1.956	1	4	4	Cn1cc(C(=O)N[C@@H]2CC[C@@H](Cc3ccccc3)C2)nn1
214189546	ZINC000278491972	ref	8.72	-7.43	0	300.402	2.726	0	3	3	CN(C)c1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCCC2=O)c1
398246109	ZINC000390776255	mid	7.2	-39.29	1	246.354	1.782	1	2	5	CC(=O)CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1
197596270	ZINC000290101487	ref	9.63	-16.06	0	285.355	1.915	1	7	3	Cc1nn(C)c(C)c1Nc1nnc(-c2cccn2C)n1C
342597866	ZINC000616983260	mid	7.67	-14.08	0	290.371	1.436	1	5	6	CC[C@H](C)N(CC)C(=O)CN(C)c1ncnc2[nH]cnc12
214189549	ZINC000278492547	ref	7.04	-13.5	0	308.378	2.891	1	4	7	CCCN(CC(=O)Nc1ccccc1OC)C(=O)OC(C)C
342597867	ZINC000590804416	ref	2.4	-10.93	0	250.346	1.24	2	3	5	C=C(CC)CNC(=O)NC1CCN(CC#N)CC1
398246112	ZINC000390776255	high	4.28	-6.75	0	246.354	1.782	0	3	5	CC(=O)CN(C)[C@H]1CCN(Cc2ccccc2)C1
398246114	ZINC000036135923	ref	1.37	-44.03	1	229.324	-0.047	2	2	5	CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)C
398246118	ZINC000036135923	high	0.99	-8.84	0	229.324	-0.047	2	3	5	CC[C@@H](C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N(C)C
398246121	ZINC000036136129	ref	5.32	-39.24	1	245.326	1.497	1	2	2	O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1cccnc1
398246126	ZINC000076747726	ref	9.77	-40.96	1	241.338	2.714	1	2	5	C[N@@H+](Cc1cnn(-c2ccccc2)c1)CC1CC1
398246129	ZINC000076747726	mid	9.8	-41.16	1	241.338	2.714	1	2	5	C[N@H+](Cc1cnn(-c2ccccc2)c1)CC1CC1
398246130	ZINC000076747726	high	7.44	-6.27	0	241.338	2.714	0	3	5	CN(Cc1cnn(-c2ccccc2)c1)CC1CC1
398246135	ZINC000650439477	ref	7.24	-11.24	0	249.345	3.754	1	1	9	CC[C@H](C)CCCCC(=O)NCCC(C)(F)F
342597868	ZINC000590807337	ref	2.04	-12.88	0	299.33	1.419	2	4	4	CNC(=O)c1ccc(C(=O)N(C)Cc2cccc(O)c2)cn1
361822825	ZINC000616604902	high	2.88	-8.53	0	272.389	1.7	1	4	3	CN(C(=O)OC(C)(C)C)[C@H]1CCCCN(CCO)C1
178291398	ZINC000133987279	ref	-1.13	-11.57	0	215.23	0.371	1	4	1	Cc1cc2c(cc1S(N)(=O)=O)OCO2
398246138	ZINC000390772724	ref	3.28	-87.06	2	201.314	0.052	3	1	7	CC[NH2+]CCCNC(=O)[C@H](C)[NH+](C)C
398246140	ZINC000390772724	mid	0.94	-45.13	1	201.314	0.052	2	2	7	CC[NH2+]CCCNC(=O)[C@H](C)N(C)C
398246144	ZINC000036136544	ref	5.41	-41.62	1	245.326	1.497	1	2	2	O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccncc1
282952223	ZINC000413500645	ref	8.28	-7.22	0	277.368	2.976	0	4	2	FCC1CN(c2ncnc3sc4c(c23)CCCC4)C1
214189542	ZINC000293646229	ref	8.66	-15.87	0	357.414	0.922	1	6	6	Cc1nc(NC(=O)C(=O)N2CC(OCCCc3ccccc3)C2)nn1C
361822831	ZINC000531822278	ref	3.21	-14.32	0	294.395	1.353	2	3	3	NC(=O)[C@@H]1CCCCC[C@H]1NC(=O)[C@H]1CC12CCOCC2
361822837	ZINC000531822014	ref	6.12	-38.9	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)s1
361822839	ZINC000531822014	mid	6.11	-37.88	1	279.409	1.918	2	3	4	CCc1ncc(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)s1
361822845	ZINC000531822014	mid	3.68	-7.51	0	279.409	1.918	1	4	4	CCc1ncc(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)s1
361822850	ZINC000531821726	ref	5.65	-13.29	0	259.313	1.385	0	5	2	CC[C@H]1C[C@H](C)CN1C(=O)c1ccc2nnnn2c1
361822854	ZINC000616604678	ref	3.62	-14.22	0	257.293	1.55	0	4	1	CC(=O)N1CCOC[C@H]1c1cccc2nnccc12
361822862	ZINC000339742098	ref	7.75	-40.02	1	277.393	1.728	1	4	5	Cn1c(=O)c(CSCC[NH+](C)C)nc2ccccc21
178291409	ZINC000236984240	ref	3.52	-56.07	1	353.488	1.718	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1
210256470	ZINC000019526648	ref	10.39	-39.23	1	377.532	4.663	2	2	7	CC[N@H+](Cc1ccccc1)C1CCN(Cc2cc3cc(OC)ccc3[nH]2)CC1
365621589	ZINC000576540680	ref	2.43	-9.66	0	229.226	1.706	2	2	4	CC(F)(F)CNC(=O)Cc1ccc(O)cc1
214189548	ZINC000293644962	ref	-0.89	-16.93	0	370.471	0.395	3	5	5	Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N2CC[C@H](O)C[C@@H]2C)[C@@H](C)O)cc1
210256477	ZINC000019526648	mid	9.94	-38.61	1	377.532	4.663	2	2	7	CC[N@@H+](Cc1ccccc1)C1CCN(Cc2cc3cc(OC)ccc3[nH]2)CC1
210256481	ZINC000019526648	low	12.79	-118.99	2	377.532	4.663	3	1	7	CC[N@H+](Cc1ccccc1)C1CC[NH+](Cc2cc3cc(OC)ccc3[nH]2)CC1
210256484	ZINC000019526648	low	12.34	-115.21	2	377.532	4.663	3	1	7	CC[N@@H+](Cc1ccccc1)C1CC[NH+](Cc2cc3cc(OC)ccc3[nH]2)CC1
342597869	ZINC000616984176	ref	4.38	-15.23	0	261.387	1.458	0	3	5	CC[C@H](C)N(CC)C(=O)C[C@@H]1CCS(=O)(=O)C1
210256488	ZINC000019522391	ref	8.6	-16.57	0	389.381	3.335	0	5	3	CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4ccncc4)C3)cc2n1
342597870	ZINC000616983434	ref	8.77	-16.06	0	287.367	1.852	0	5	6	CC[C@@H](C)N(CC)C(=O)Cc1ccc(-n2cnnn2)cc1
210256495	ZINC000019525244	ref	10.02	-14.54	0	392.528	4.838	0	5	5	CCCc1cc(C(=O)N2CCC[C@@H]2c2nc(C)ncc2-c2ccncc2)cs1
210256500	ZINC000019524955	ref	6.08	-12.33	0	384.48	1.807	0	6	5	CCn1cc(CN2CCN(C(=O)[C@H]3COc4ccc(OC)cc4C3)CC2)cn1
210256505	ZINC000019524955	low	8.49	-51.84	1	384.48	1.807	1	5	5	CCn1cc(C[NH+]2CCN(C(=O)[C@H]3COc4ccc(OC)cc4C3)CC2)cn1
210256509	ZINC000019524428	ref	9.75	-65.11	-1	398.488	3.156	0	5	4	CCn1c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)nc2ccccc21
342597871	ZINC000616983138	ref	4.97	-21.84	0	278.352	1.811	1	3	7	CC[C@@H](C)N(CC)C(=O)c1cccc(OCC(N)=O)c1
214189552	ZINC000293636885	ref	5.4	-26.58	0	363.439	0.946	0	5	5	CN(C(=O)Cn1cc(C=O)c2ccccc21)[C@H]1CCN(S(C)(=O)=O)C1
342597872	ZINC000616984448	ref	6.52	-13.4	0	295.383	1.354	1	3	6	CC[C@@H](C)N(CC)C(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O
342597873	ZINC000616983823	ref	5.21	-21.8	0	263.403	1.704	0	3	7	CC[C@H](C)N(CC)C(=O)CS(=O)(=O)CC(C)C
342597874	ZINC000590807328	ref	4.63	-13.18	0	291.395	1.274	1	3	7	CCNC(=O)CN(C)C(=O)[C@@H](c1ccccc1)N(C)CC
168365004	ZINC000368498903	ref	5.41	-14.56	0	335.839	3.083	1	6	5	COc1ncc([C@@H](C)N[C@H](C)c2nnc3n2CCCC3)cc1Cl
342597875	ZINC000590807328	mid	6.68	-34.68	1	291.395	1.274	2	2	7	CCNC(=O)CN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC
365621591	ZINC000121836360	ref	8.19	-15.2	0	274.295	2.435	0	3	4	COc1cccnc1N(C)C(=O)Cc1cccc(F)c1
365621602	ZINC000121842188	ref	3.49	-6.79	0	260.366	2.457	1	5	3	Nc1ccnc(CN2CCC[C@@H]2c2cccs2)n1
168365006	ZINC000368498903	low	6.43	-51.04	1	335.839	3.083	1	5	5	COc1ncc([C@@H](C)[NH2+][C@H](C)c2nnc3n2CCCC3)cc1Cl
178291411	ZINC000236978967	ref	6.6	-42.45	1	363.527	1.825	1	4	6	CCOc1ccc(CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cc1
365621611	ZINC000121842188	mid	5.69	-28.35	1	260.366	2.457	2	4	3	Nc1ccnc(C[N@@H+]2CCC[C@@H]2c2cccs2)n1
365621614	ZINC000121842188	mid	6.53	-28.51	1	260.366	2.457	2	4	3	Nc1ccnc(C[N@H+]2CCC[C@@H]2c2cccs2)n1
365621622	ZINC000121840893	ref	8.34	-7.68	0	263.337	2.234	0	3	6	CCN(Cc1ccccc1)C(=O)[C@@H](C)CC(=O)OC
365621627	ZINC000121836208	ref	2.94	-6.66	0	265.353	2.0	2	3	7	CCC[C@](C)(O)C(=O)NCc1ccc(COC)cc1
365621634	ZINC000121836586	ref	7.86	-9.53	0	269.41	2.3	0	3	4	O=C(C1CCC1)N(C[C@H]1CCCO1)[C@H]1CCSC1
365621642	ZINC000121836430	ref	5.61	-8.43	0	298.427	2.404	1	3	6	CC[C@@H]1CN(C(=O)NCC2(CCOC)CCCC2)CCO1
185089835	ZINC000096075988	ref	8.2	-43.57	1	258.369	1.85	1	3	3	Cc1ccc(N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)nn1
185089837	ZINC000096075988	mid	8.29	-43.46	1	258.369	1.85	1	3	3	Cc1ccc(N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)nn1
342597876	ZINC000590807328	mid	6.76	-33.82	1	291.395	1.274	2	2	7	CCNC(=O)CN(C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC
342597877	ZINC000616984236	ref	7.73	-12.93	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1ccc(-n2cnnn2)cc1
342597878	ZINC000590806398	ref	2.36	-15.5	0	294.399	1.089	2	4	5	CCN1CCO[C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597879	ZINC000590806398	mid	4.77	-50.25	1	294.399	1.089	3	3	5	CC[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
259308711	ZINC000322996850	low	4.46	-30.57	1	209.293	2.012	1	3	5	CC[C@](C)(CNc1cc[nH+]c(C)n1)OC
342597880	ZINC000590806398	mid	4.66	-46.51	1	294.399	1.089	3	3	5	CC[N@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597881	ZINC000590806396	ref	2.55	-15.03	0	294.399	1.089	2	4	5	CCN1CCO[C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597882	ZINC000590806396	mid	4.4	-50.03	1	294.399	1.089	3	3	5	CC[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
178291413	ZINC000236978967	low	8.99	-103.95	2	363.527	1.825	2	3	6	CCOc1ccc(C[NH+]2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cc1
259308712	ZINC000312488641	ref	5.2	-43.24	1	241.306	2.349	1	2	7	CC[C@H](C[NH2+]Cc1cc(F)cc(OC)c1)OC
178291415	ZINC000236978967	high	5.55	-11.54	0	363.527	1.825	1	5	6	CCOc1ccc(CN2CCN(C(=O)C[C@H]3CSCCN3)CC2)cc1
398246113	ZINC000650858803	ref	5.66	-11.25	0	274.311	1.854	1	2	5	O=C(NCCOCC1CC1)N1CC[C@@]2(C1)CC2(F)F
214189554	ZINC000278491905	ref	7.81	-12.45	0	306.793	2.836	1	3	3	C[C@H]1COCC[C@H]1NC(=O)Cn1ccc2ccc(Cl)cc21
398249329	ZINC000651463408	ref	4.17	-11.23	0	292.354	3.156	2	4	8	CCCOc1cccc2c(N[C@@H](CO)CCF)ccnc12
398249330	ZINC000651463408	low	4.65	-30.17	1	292.354	3.156	2	3	8	CCCOc1cccc2c(N[C@@H](CO)CCF)cc[nH+]c12
168365007	ZINC000368497904	ref	5.68	-51.43	1	333.482	3.018	2	4	5	O=C1CC[C@@H]([NH2+]Cc2csc(-c3ccsc3)n2)[C@H](C2CC2)N1
168365010	ZINC000368497904	mid	4.52	-8.03	0	333.482	3.018	2	5	5	O=C1CC[C@@H](NCc2csc(-c3ccsc3)n2)[C@H](C2CC2)N1
168365577	ZINC000368505755	low	8.35	-46.76	1	340.448	3.361	2	2	3	C[N@@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4CC3)c2C1
214189555	ZINC000278493647	ref	7.49	-10.09	0	310.419	2.79	0	5	5	CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1scnc1C
168365579	ZINC000368505755	low	8.35	-46.66	1	340.448	3.361	2	2	3	C[N@H+]1Cc2cccc(NS(=O)(=O)C3=Cc4ccccc4CC3)c2C1
168366265	ZINC000043291454	ref	5.05	-27.09	1	198.354	2.234	2	1	2	C[C@@H](N)[C@@H]([NH+]1CCCCC1)C(C)(C)C
214189557	ZINC000278493508	ref	7.2	-11.58	0	301.39	3.087	1	4	6	Cc1ccc(NC(=O)CCc2ccnn2C)cc1OC(C)C
214189561	ZINC000278493459	ref	5.11	-9.1	0	304.398	2.184	0	7	5	CCn1ncnc1CN1CCC[C@H](c2noc(C(C)C)n2)C1
214189565	ZINC000278493459	low	7.73	-42.08	1	304.398	2.184	1	6	5	CCn1ncnc1C[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1
214189566	ZINC000278493459	low	7.1	-43.05	1	304.398	2.184	1	6	5	CCn1ncnc1C[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1
214189570	ZINC000278492195	ref	3.72	-20.81	0	302.33	1.338	2	5	4	COc1ccc(C(=O)NCc2ccc(C)n(C)c2=O)c(O)c1
398249331	ZINC000651462588	ref	4.69	-42.61	1	283.437	3.109	2	3	7	C[C@H](CCCCO)[NH2+][C@@H]1CCO[C@H](c2cccs2)C1
192038096	ZINC000418428750	ref	3.69	-48.84	1	241.379	1.945	2	1	4	CCC1(CC)CCN(C(=O)NCC(C)(C)[NH3+])C1
178305154	ZINC000073198506	ref	3.37	-33.14	1	229.287	1.05	2	4	2	Cc1cc2nn(CC3=[NH+]CCN3)nc2cc1C
365621593	ZINC000623045206	low	2.13	-10.75	0	302.281	1.227	3	4	4	O=C(N[C@@H](C(F)F)C1CCCCC1)c1n[nH]c(=O)[nH]c1=O
365621594	ZINC000623046407	ref	1.33	-20.04	0	310.366	1.008	2	3	4	O=C(N[C@@H](C(F)F)C1CCCCC1)[C@H]1CCS(=O)(=O)N1
365621598	ZINC000623046118	ref	3.13	-16.37	0	318.364	1.298	2	3	4	CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](C(F)F)C1CCCCC1
365621600	ZINC000623046316	ref	3.0	-19.34	0	312.382	1.208	1	3	6	CN(C)S(=O)(=O)CC(=O)N[C@@H](C(F)F)C1CCCCC1
365621605	ZINC000623047821	ref	4.57	-14.31	0	303.362	1.726	2	3	5	Cc1ccccc1N(C)C(=O)CCC[C@]1(C)NC(=O)NC1=O
185089838	ZINC000096075988	high	5.22	-8.8	0	258.369	1.85	0	4	3	Cc1ccc(N2CC[C@@]3(CCN3CC3CC3)C2)nn1
190491931	ZINC000269402106	ref	6.46	-7.12	0	296.314	3.162	1	5	5	CC(C)OC(=O)[C@@H](C)CNc1nc(C(F)(F)F)cs1
342597883	ZINC000590806396	mid	4.82	-49.74	1	294.399	1.089	3	3	5	CC[N@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597884	ZINC000616983247	ref	2.42	-11.57	0	288.369	1.448	1	4	6	CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)NC)o1
185089840	ZINC000096075941	ref	2.63	-36.86	1	291.395	1.387	1	4	6	COCC[N@@H+]1CC[C@@]12CCN(Cc1ccc(OC)nc1)C2
342597885	ZINC000616983247	mid	1.96	-38.91	-1	288.369	1.448	0	4	6	CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)[N-]C)o1
197596282	ZINC000162853369	ref	5.88	-8.14	0	322.449	3.195	2	3	7	CCN(CC(C)(C)O)C(=O)N[C@H](c1ccc(OC)cc1)C(C)C
342597886	ZINC000590806619	ref	4.31	-13.85	0	273.336	1.784	2	3	2	C[C@H](NC(=O)N1CC[C@@H](O)[C@H]1C)c1ccc(C#N)cc1
282120119	ZINC000151575119	ref	8.12	-41.26	1	323.481	2.014	2	2	8	CCC(CC)C(=O)N1CCC(NC(=O)C[N@H+](CC)C2CC2)CC1
282120126	ZINC000151575119	mid	8.04	-41.72	1	323.481	2.014	2	2	8	CCC(CC)C(=O)N1CCC(NC(=O)C[N@@H+](CC)C2CC2)CC1
365621612	ZINC000623048911	ref	1.59	-25.77	0	318.333	1.559	2	6	5	CC(=O)c1c[nH]c(C(=O)NC[C@@H]2CC[C@H](c3nc(C)no3)O2)c1
282120132	ZINC000151575119	mid	5.94	-13.29	0	323.481	2.014	1	3	8	CCC(CC)C(=O)N1CCC(NC(=O)CN(CC)C2CC2)CC1
365621619	ZINC000623046139	ref	5.16	-11.35	0	315.364	1.654	2	4	6	Cn1cc(C[C@H](O)C(=O)N[C@@H](C(F)F)C2CCCCC2)cn1
365621623	ZINC000623047385	ref	8.12	-18.55	0	303.362	1.632	0	3	5	Cc1ccccc1N(C)C(=O)CCCN1C(=O)CN(C)C1=O
365621630	ZINC000623046410	ref	1.32	-19.6	0	310.366	1.008	2	3	4	O=C(N[C@H](C(F)F)C1CCCCC1)[C@H]1CCS(=O)(=O)N1
293078805	ZINC000561317600	mid	4.62	-33.81	1	256.39	1.24	3	2	5	CC1C[NH+]([C@H](C)C(=O)N[C@H](CO)CC(C)(C)C)C1
342597887	ZINC000590806581	ref	7.24	-50.4	1	290.411	1.852	3	2	5	N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1
210256512	ZINC000019524428	low	9.89	-23.21	0	398.488	3.156	1	5	4	CCn1c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)nc2ccccc21
210256515	ZINC000019523754	ref	6.61	-13.78	0	382.468	2.909	1	7	6	CCn1nc(C)c([C@H](C)NC(=O)c2nnn(-c3cccc(OC)c3)c2C)c1C
210256519	ZINC000019524120	ref	11.39	-9.31	0	396.922	4.917	0	4	7	CCn1nc(C(C)C)cc1C(=O)N(Cc1ccc(Cl)cc1)Cc1cccnc1
210256528	ZINC000019526473	ref	5.03	-11.93	0	396.561	0.825	1	6	9	CCN(CC)S(=O)(=O)NCCc1cc(N2CCN(C)CC2)nc(C2CC2)n1
210256530	ZINC000019526473	mid	7.4	-47.14	1	396.561	0.825	2	5	9	CCN(CC)S(=O)(=O)NCCc1cc(N2CC[NH+](C)CC2)nc(C2CC2)n1
210256537	ZINC000019524580	ref	1.76	-19.3	0	397.545	-0.025	0	7	6	CCn1cc(CN2CCN(CC(=O)N(C)[C@H]3CCS(=O)(=O)C3)CC2)c(C)n1
365621595	ZINC000576541508	ref	1.73	-9.82	0	227.304	0.975	2	3	4	CCO[C@@H]1C[C@H]1NC(=O)C1(O)CCCCC1
365621599	ZINC000576538788	ref	4.02	-45.93	1	234.343	2.31	2	1	5	CC(C)C(C)(C)[NH2+]Cc1ccc(C(N)=O)cc1
365621603	ZINC000576535581	ref	7.82	-4.51	0	241.325	3.561	1	1	6	Cc1cccc(CC[C@H](C)NCC(C)(F)F)c1
365621608	ZINC000576535581	mid	8.99	-40.27	1	241.325	3.561	1	0	6	Cc1cccc(CC[C@H](C)[NH2+]CC(C)(F)F)c1
210256544	ZINC000019522118	ref	3.39	-16.19	0	383.477	3.479	0	7	4	CCc1cc(C(=O)N2CCC(c3nnc(-c4cnc(C)cn4)o3)CC2)cs1
210256506	ZINC000428368265	high	4.25	-49.9	-1	329.422	0.732	0	5	9	CCCN(C)S(=O)(=O)[N-][C@H](Cc1ccccn1)C(=O)OCC
432002763	ZINC000103074758	high	7.26	-8.87	0	320.477	3.281	1	3	9	COc1ccccc1[C@@H](C)CC(=O)N[C@H](CC(C)C)CN(C)C
214189558	ZINC000053602453	ref	2.51	-9.07	0	344.415	2.24	0	7	5	CC(C)c1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)no1
214189562	ZINC000053602453	low	4.76	-44.99	1	344.415	2.24	1	6	5	CC(C)c1nc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)no1
210256517	ZINC000428348247	ref	3.13	-16.95	0	328.438	0.902	3	4	6	CCS[C@H]1CCCC[C@H]1NC(=O)NCCN1C(=O)CNC1=O
259308713	ZINC000312488641	high	3.78	-4.54	0	241.306	2.349	1	3	7	CC[C@H](CNCc1cc(F)cc(OC)c1)OC
342082154	ZINC000625330839	mid	6.6	-28.38	1	284.444	1.844	1	3	8	CCN(C[C@H](OC)[C@@H]1CCOC1)C[C@H]1CCC[N@@H+]1CC
342082155	ZINC000625330839	mid	5.56	-33.29	1	284.444	1.844	1	3	8	CCN(C[C@H](OC)[C@@H]1CCOC1)C[C@H]1CCC[N@H+]1CC
192038099	ZINC000418429530	ref	1.64	-46.57	1	215.341	1.602	3	1	5	CCC(C)(CC)NC(=O)NCC(C)(C)[NH3+]
365621613	ZINC000343699812	ref	2.46	-35.14	1	229.364	1.488	3	2	3	CC1(CO)CC[NH+](C[C@H](O)C(C)(C)C)CC1
398246117	ZINC000191995356	ref	2.09	-13.7	0	245.325	1.01	0	4	4	C#CCN(C)S(=O)(=O)c1sccc1OC
365621597	ZINC000274316222	ref	6.33	-14.55	0	285.34	1.107	0	5	8	COC(=O)CCN(CC(OC)OC)C(=O)C=C1CCC1
398246122	ZINC000645406941	ref	7.18	-116.91	2	238.375	1.628	1	2	4	CC1(C)OCC[C@H]1[NH2+][C@@H]1CCN(CC2CC2)C1
365621607	ZINC000274318035	ref	6.36	-14.38	0	285.34	1.129	0	5	9	C/C=C/C=C/C(=O)N(CCC(=O)OC)CC(OC)OC
282120122	ZINC000248950987	mid	4.83	-49.25	1	301.33	1.28	2	4	5	COC(=O)C[C@@H]1CSCC[N@@H+]1C[C@@H](O)CC(F)(F)F
365621616	ZINC000274315941	ref	4.31	-9.28	0	297.376	1.689	0	4	4	CN(C1CC1)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1
365621625	ZINC000274317529	ref	4.81	-13.13	0	260.34	1.621	1	6	5	COC(=O)c1cnc(NC(=O)CCSC)s1
398246125	ZINC000645406941	low	7.01	-115.74	2	238.375	1.628	2	1	4	CC1(C)OCC[C@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1
398246127	ZINC000645406941	low	7.18	-116.91	2	238.375	1.628	2	1	4	CC1(C)OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1
365621632	ZINC000274314535	ref	4.45	-11.32	0	292.335	1.943	2	5	5	CC[C@@H](Nc1cc2c(cc1OC)CCC(=O)N2)C(=O)OC
365621643	ZINC000274315261	ref	4.08	-13.14	0	266.301	1.33	2	5	6	CC(C)OC(=O)CCCNC(=O)Nc1cncnc1
398246132	ZINC000645406944	ref	7.13	-115.81	2	238.375	1.628	1	2	4	CC1(C)OCC[C@@H]1[NH2+][C@H]1CCN(CC2CC2)C1
398246134	ZINC000645406944	low	7.04	-116.02	2	238.375	1.628	2	1	4	CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1
299072348	ZINC000358088564	ref	1.49	-11.25	0	318.333	1.509	1	7	5	COc1cc(NC(=O)c2cn([C@H]3CCOC3)nn2)cc(OC)c1
365621657	ZINC000274317509	ref	2.57	-13.01	0	271.338	1.343	1	4	7	CCOc1ccc(S(=O)(=O)NCC(=O)CC)cc1
365621666	ZINC000274313924	ref	4.76	-42.01	1	296.798	1.781	3	2	6	C[NH+](C)C/C=C/C(=O)NC[C@@](C)(O)c1ccccc1Cl
365621670	ZINC000274313924	high	2.3	-9.12	0	296.798	1.781	2	3	6	CN(C)C/C=C/C(=O)NC[C@@](C)(O)c1ccccc1Cl
343994325	ZINC000139307524	ref	2.87	-6.31	0	182.267	1.095	1	2	1	C[C@@H]1N[C@H](C)N(C2CCCC2)C1=O
398246137	ZINC000645406944	low	7.13	-115.81	2	238.375	1.628	2	1	4	CC1(C)OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1
185089841	ZINC000096075941	mid	2.66	-36.82	1	291.395	1.387	1	4	6	COCC[N@H+]1CC[C@@]12CCN(Cc1ccc(OC)nc1)C2
365621681	ZINC000274314679	ref	4.5	-11.64	0	269.366	1.869	1	3	5	CCC(=O)CNS(=O)(=O)c1c(C)cc(C)cc1C
259308714	ZINC000306315933	ref	1.8	-8.93	0	248.298	1.375	2	3	4	CC(C)(C)OC(=O)NCCNC(=O)C(C)(C)F
365621695	ZINC000274318362	ref	1.58	-9.43	0	293.392	1.663	1	6	4	C[C@@H](O)C[C@H]1COCCN1Cc1cccc2nsnc12
398246141	ZINC000191994319	ref	2.27	-9.5	0	219.306	0.308	0	3	7	C#CCN(C)S(=O)(=O)CCCCOC
214189559	ZINC000293643244	ref	1.56	-19.35	0	358.46	0.004	2	5	11	COCCCS(=O)(=O)NCC(=O)N(C)C[C@H](O)Cc1ccccc1
214189564	ZINC000293644460	ref	3.06	-18.23	0	370.768	0.806	2	5	4	O=C1CN(CC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)C(=O)N1
214189569	ZINC000293644460	high	1.22	-49.59	-1	370.768	0.806	1	5	4	O=C1CN(CC(=O)Nc2cc(F)c(Cl)cc2N2CCOCC2)C(=O)[N-]1
197596280	ZINC000290101834	ref	4.69	-6.88	0	254.305	2.679	2	2	4	CO[C@H](C)[C@@H](C)NC(=O)Nc1cccc(C)c1F
214189573	ZINC000293636733	ref	2.8	-13.72	0	374.397	0.423	2	5	2	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCC[C@H]3C(=O)N(C)C[C@H]32)c1
342597888	ZINC000590806581	mid	7.4	-51.4	1	290.411	1.852	3	2	5	N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)C1
342597889	ZINC000590806581	high	4.92	-14.56	0	290.411	1.852	2	3	5	N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(CC3CC3)C2)C1
199273148	ZINC000294964713	ref	5.63	-41.45	1	259.397	2.147	1	2	5	Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1
197596283	ZINC000290100537	ref	3.37	-7.67	0	271.32	2.861	1	4	4	COc1ccc(NC(=O)c2ccc(C(C)C)cn2)cn1
214189578	ZINC000293639973	ref	2.96	-16.82	0	364.398	0.931	2	6	5	COCc1cc(NC(=O)[C@]2(O)CCCN(C(C)=O)C2)cc(C(=O)OC)c1
214189581	ZINC000293638029	ref	8.4	-15.53	0	355.394	0.907	0	6	2	C[C@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)Cc2ccccc2O1
214189588	ZINC000293639783	ref	2.5	-16.98	0	372.429	0.542	3	6	7	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cnn(Cc2ccncc2)c1)C(C)C
342597890	ZINC000616983646	ref	5.52	-22.35	0	275.414	1.991	0	3	6	CC[C@@H](C)N(CC)C(=O)CS(=O)(=O)C1CCCC1
342597891	ZINC000616983435	ref	8.89	-16.0	0	287.367	1.852	0	5	6	CC[C@H](C)N(CC)C(=O)Cc1ccc(-n2cnnn2)cc1
342600584	ZINC000616999509	ref	8.23	-76.42	2	295.471	1.955	3	1	4	C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1
342600585	ZINC000616999509	mid	8.23	-76.79	2	295.471	1.955	3	1	4	C[NH+]1CCC(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1
342600586	ZINC000616999509	high	5.85	-36.97	1	295.471	1.955	2	2	4	CN1CCC(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1
342600587	ZINC000616999509	high	5.85	-37.53	1	295.471	1.955	2	2	4	CN1CCC(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1
199273150	ZINC000294964713	low	8.18	-111.91	2	259.397	2.147	2	1	5	Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1
199273152	ZINC000294964713	low	7.97	-111.51	2	259.397	2.147	2	1	5	Cc1cccnc1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1
349535641	ZINC000594973011	high	6.38	-5.51	0	265.426	2.662	1	4	8	CCc1ncc(CNCCC2(CSC)CC2)cn1
342082156	ZINC000625330353	ref	6.11	-15.94	0	284.4	1.566	1	3	8	CCO[C@H](C(=O)NCCCN1CCCCC1=O)C(C)C
342082157	ZINC000625330885	ref	2.59	-13.95	0	290.385	1.608	1	5	9	CCC[C@@H](CNS(=O)(=O)Cc1cc(C)on1)OCC
342082158	ZINC000625330885	high	2.21	-48.37	-1	290.385	1.608	0	5	9	CCC[C@@H](C[N-]S(=O)(=O)Cc1cc(C)on1)OCC
342082159	ZINC000625330601	ref	5.52	-31.74	1	284.444	1.988	1	3	9	CCN(CCOC[C@H]1CCCO1)C[C@H]1CCC[N@@H+]1CC
342082160	ZINC000625330601	mid	5.77	-32.25	1	284.444	1.988	1	3	9	CCN(CCOC[C@H]1CCCO1)C[C@H]1CCC[N@H+]1CC
342082161	ZINC000625330601	mid	5.52	-31.74	1	284.444	1.988	1	3	9	CCN1CCC[C@@H]1C[N@H+](CC)CCOC[C@H]1CCCO1
342082162	ZINC000625330601	mid	5.77	-32.25	1	284.444	1.988	1	3	9	CCN1CCC[C@@H]1C[N@@H+](CC)CCOC[C@H]1CCCO1
342082163	ZINC000625330801	ref	5.59	-35.38	1	265.405	1.673	2	3	7	CCc1nnc(CN(CC)C[C@@H]2CCC[N@@H+]2CC)[nH]1
342082164	ZINC000625330801	mid	6.71	-29.74	1	265.405	1.673	2	3	7	CCc1nnc(CN(CC)C[C@@H]2CCC[N@H+]2CC)[nH]1
342082165	ZINC000625330801	mid	5.59	-35.38	1	265.405	1.673	2	3	7	CCc1nc(CN(CC)C[C@@H]2CCC[N@@H+]2CC)n[nH]1
342082166	ZINC000625330801	mid	6.71	-29.74	1	265.405	1.673	2	3	7	CCc1nc(CN(CC)C[C@@H]2CCC[N@H+]2CC)n[nH]1
342082167	ZINC000625330377	ref	1.73	-15.51	0	252.336	1.312	1	4	7	O=S(=O)(CCCCF)NCc1ccns1
185089843	ZINC000096075941	mid	1.97	-44.57	1	291.395	1.387	1	4	6	COCCN1CC[C@@]12CC[N@H+](Cc1ccc(OC)nc1)C2
185089844	ZINC000096075941	mid	2.07	-44.35	1	291.395	1.387	1	4	6	COCCN1CC[C@@]12CC[N@@H+](Cc1ccc(OC)nc1)C2
185089846	ZINC000096075941	high	-0.39	-5.33	0	291.395	1.387	0	5	6	COCCN1CC[C@@]12CCN(Cc1ccc(OC)nc1)C2
342082168	ZINC000625330840	ref	5.79	-32.96	1	284.444	1.844	1	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@H](OC)[C@@H]1CCOC1
342082169	ZINC000625330840	mid	5.76	-34.39	1	284.444	1.844	1	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H](OC)[C@@H]1CCOC1
342082170	ZINC000625330840	mid	5.79	-32.96	1	284.444	1.844	1	3	8	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H](OC)[C@@H]1CCOC1
342082171	ZINC000625330840	mid	5.76	-34.39	1	284.444	1.844	1	3	8	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H](OC)[C@@H]1CCOC1
342082172	ZINC000625331001	ref	1.96	-11.6	0	279.402	1.29	1	4	9	CCC[C@@H](CNS(=O)(=O)C[C@@H]1CCCO1)OCC
342082173	ZINC000625328043	ref	2.66	-37.47	1	250.346	1.011	1	4	7	COc1cncc(CN(C)CC[N@H+](C)C2CC2)n1
342082174	ZINC000625328043	mid	2.68	-37.51	1	250.346	1.011	1	4	7	COc1cncc(CN(C)CC[N@@H+](C)C2CC2)n1
342082175	ZINC000625328043	high	0.38	-4.63	0	250.346	1.011	0	5	7	COc1cncc(CN(C)CCN(C)C2CC2)n1
342597892	ZINC000590808202	ref	5.9	-9.72	0	268.357	1.817	2	3	5	COC(=O)C1(CNC(=O)N[C@@H](C)C2CC2)CCCC1
197596295	ZINC000162862346	ref	6.35	-19.69	0	301.354	1.536	1	6	3	CCc1ncc(NC(=O)N2CCC[C@@H]2c2nncn2C)cn1
342597893	ZINC000590808652	ref	6.31	-42.68	1	289.423	1.89	2	2	5	CCN(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1
214189568	ZINC000053597751	ref	10.7	-19.63	0	347.484	3.059	0	5	5	CCc1cc2c(=O)n(CC(=O)N(C)CC3CCCCC3)cnc2s1
342597894	ZINC000590808652	mid	6.84	-45.44	1	289.423	1.89	2	2	5	CCN(C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1
299072350	ZINC000347438018	ref	5.06	-15.15	0	342.436	2.494	1	3	5	C[C@@H](c1ccc(F)cc1)N(C)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1
210256527	ZINC000428369419	ref	1.56	-26.39	0	326.422	0.346	2	4	5	C[C@H](Cc1ccncc1)NC(=O)N1CC[C@@H](NS(C)(=O)=O)C1
214189576	ZINC000053603630	ref	4.37	-9.68	0	327.384	3.055	0	6	4	c1cc2c(cc1[C@@H]1CCCN1Cc1noc(C3CC3)n1)OCCO2
214189582	ZINC000053596443	ref	3.68	-23.51	0	325.324	2.1	2	5	5	O=C(NCCOc1ccc2c(c1)OCO2)c1cccc2c[nH]nc12
342597895	ZINC000590808652	mid	8.68	-88.15	2	289.423	1.89	3	1	5	CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](C)C1)c1ccccc1
349535642	ZINC000093301291	ref	1.38	-7.53	0	267.285	0.151	2	5	1	Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)no1
432002764	ZINC000061873498	ref	5.29	-9.37	0	310.151	3.208	1	4	3	CC(C)c1cc(NC(=O)c2ccc(Br)cn2)on1
432002769	ZINC000061888668	ref	6.69	-15.2	0	311.154	3.01	1	2	2	N#C[C@H]1CCC[C@@H]1NC(=O)c1cc(Br)ccc1F
432002772	ZINC000062252071	ref	6.85	-12.97	0	303.337	3.283	1	3	5	CCOc1cc(F)ccc1NC(=O)N(C)Cc1ccccn1
214189587	ZINC000053609367	ref	5.35	-12.98	0	328.416	2.08	0	5	5	CC(C)c1nc(CN2CCN(C(=O)Cc3ccccc3)CC2)no1
214189591	ZINC000053603519	ref	6.4	-15.32	0	327.375	2.582	2	2	4	C[C@@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(F)c(F)c1
210256552	ZINC000428343710	ref	0.84	-20.66	0	347.481	0.964	3	4	8	CC1(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CCC1
190597609	ZINC000270093974	ref	5.15	-10.72	0	287.363	2.46	2	3	6	COCCCNC(=O)c1[nH]c(-c2cccc(C)c2)nc1C
190491933	ZINC000269405105	ref	7.59	-12.71	0	292.774	2.151	1	6	4	CCc1c(Cl)nc(C)nc1NCc1nnc2n1CCC2
342597896	ZINC000590808652	mid	8.71	-88.11	2	289.423	1.89	3	1	5	CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](C)C1)c1ccccc1
342597897	ZINC000590808652	mid	8.71	-88.11	2	289.423	1.89	3	1	5	CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1
342082176	ZINC000625327962	ref	4.29	-13.08	0	285.29	1.885	1	3	6	COC1CC(C(=O)NCCOc2ccc(F)c(F)c2)C1
365621609	ZINC000172807057	ref	5.11	-22.36	0	293.367	1.062	2	3	7	CCN(CC)C(=O)CCCNC(=O)c1c[nH]c(C)cc1=O
365621617	ZINC000172814486	ref	4.06	-12.17	0	251.33	1.885	1	4	3	CCn1nc(C)c(NC(=O)[C@H]2CCCOC2)c1C
365621621	ZINC000564780113	ref	1.54	-8.56	0	289.339	1.754	1	6	5	COc1cncc(C(=O)N[C@H](C)c2cnn(C(C)C)c2)n1
365621629	ZINC000172804232	ref	4.78	-40.48	1	291.37	1.522	2	2	3	NC(=O)[C@@H](c1ccc(F)cc1)N1CC[N@@H+]2CCCC[C@@H]2C1
365621631	ZINC000172804232	mid	4.72	-37.37	1	291.37	1.522	2	2	3	NC(=O)[C@@H](c1ccc(F)cc1)N1CC[N@H+]2CCCC[C@@H]2C1
365621633	ZINC000172804232	mid	2.46	-8.15	0	291.37	1.522	1	3	3	NC(=O)[C@@H](c1ccc(F)cc1)N1CCN2CCCC[C@@H]2C1
168365012	ZINC000161192010	high	5.79	-2.42	0	212.362	3.23	1	3	6	CCC(CC)CN[C@H](C)c1cscn1
197596296	ZINC000290100664	ref	5.38	-13.48	0	285.369	1.212	1	6	7	CCCC(=O)CSc1n[nH]c(=O)n1C[C@H]1CCCO1
197596298	ZINC000290100409	ref	8.71	-12.46	0	251.282	2.979	0	4	6	CCC(C)(C)C(=O)COc1ccc([N+](=O)[O-])cc1
197596300	ZINC000290102390	ref	4.94	-8.22	0	273.336	2.92	0	5	6	C=C[C@@](C)(CCOC)c1nc(-c2ccc(C)nc2)no1
365621638	ZINC000172811210	ref	2.02	-17.27	0	298.408	1.951	2	3	5	CCC(C)(CC)NC(=O)c1ccc(C)c(S(N)(=O)=O)c1
168365014	ZINC000021520330	ref	7.84	-1.99	0	225.763	4.497	1	1	5	CCC(CC)CNc1ccc(C)c(Cl)c1
365621644	ZINC000172810338	ref	5.26	-42.16	1	256.375	1.843	2	4	6	CC[N@H+](CC(=O)Nc1nncs1)[C@@H](C)C(C)C
365621649	ZINC000172810338	mid	5.21	-43.97	1	256.375	1.843	2	4	6	CC[N@@H+](CC(=O)Nc1nncs1)[C@@H](C)C(C)C
365621652	ZINC000172810338	high	3.06	-15.49	0	256.375	1.843	1	5	6	CCN(CC(=O)Nc1nncs1)[C@@H](C)C(C)C
365621658	ZINC000172806972	ref	2.65	-12.75	0	281.356	1.67	1	4	7	CCN(CC)C(=O)CCCNC(=O)c1oc(C)nc1C
168365017	ZINC000122612519	ref	6.22	-5.52	0	203.289	2.801	1	3	5	CCC(CC)CNc1ccc(C#N)cn1
365621663	ZINC000172808018	ref	3.66	-38.99	1	255.749	1.238	2	3	3	C[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1
168365019	ZINC000129199408	ref	7.41	-39.97	1	220.36	3.477	1	1	6	CCC(CC)C[NH2+][C@H](C)c1cnccc1C
168366268	ZINC000043291454	mid	4.08	-40.52	1	198.354	2.234	1	1	2	C[C@@H]([NH3+])[C@@H](N1CCCCC1)C(C)(C)C
365621671	ZINC000172808018	mid	1.28	-5.47	0	255.749	1.238	1	4	3	C[C@@H](O)CN1CCN(c2ccc(Cl)cn2)CC1
342082177	ZINC000625330535	ref	4.4	-44.2	1	290.473	1.473	1	3	8	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@@H](C)CS(C)(=O)=O
342082178	ZINC000625330535	mid	4.42	-45.1	1	290.473	1.473	1	3	8	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@@H](C)CS(C)(=O)=O
214189572	ZINC000278492195	high	4.73	-71.36	-1	302.33	1.338	1	5	4	COc1ccc(C(=O)NCc2ccc(C)n(C)c2=O)c([O-])c1
168365018	ZINC000040410298	mid	0.62	-35.08	1	158.245	0.102	2	2	4	C[C@@H](N)C[NH2+]C[C@H]1CCCO1
214189574	ZINC000278492143	ref	7.59	-42.39	1	320.477	3.055	3	2	8	CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H](CO)C(C)(C)C)cc1
214189577	ZINC000278492143	mid	7.63	-42.51	1	320.477	3.055	3	2	8	CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](CO)C(C)(C)C)cc1
342597898	ZINC000590808652	mid	9.24	-92.57	2	289.423	1.89	3	1	5	CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1
214189580	ZINC000278493771	ref	7.04	-11.93	0	322.409	1.157	1	6	6	CCOC(=O)CCC(=O)N[C@@H]1CCCN(c2cc(C)nn2C)C1
342597899	ZINC000590808652	high	4.34	-8.32	0	289.423	1.89	1	3	5	CCN(C)[C@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1
168365020	ZINC000040410298	mid	-0.27	-35.65	1	158.245	0.102	2	2	4	C[C@@H]([NH3+])CNC[C@H]1CCCO1
168365021	ZINC000044460953	ref	3.31	-44.36	1	193.246	1.564	1	2	2	C[C@@H]([NH3+])C[C@H]1COc2ccccc2O1
342597900	ZINC000590808231	ref	4.64	-10.2	0	296.367	1.362	2	4	5	C=C[C@@H]1OCC[C@H]1NC(=O)NCC1(C(=O)OC)CCCC1
214189584	ZINC000278492101	ref	5.8	-48.25	1	324.38	1.648	2	3	7	O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H](CO)c1ccccc1
342597901	ZINC000590809421	ref	6.25	-20.88	0	299.33	1.929	2	3	5	CC(=O)c1cccc(OCC(=O)N=c2cc(C3CC3)[nH][nH]2)c1
136228530	ZINC000282824681	ref	4.02	-11.05	0	245.322	1.385	2	2	3	Cc1ccc(C(C)(C)C(=O)NCC#CCO)cc1
214189586	ZINC000278492019	ref	5.74	-13.79	0	319.401	2.399	1	4	5	C[C@@H]1COCC[C@@H]1NC(=O)c1cccc(OC[C@H]2CCCO2)c1
214189590	ZINC000278492041	ref	7.72	-13.34	0	322.342	2.525	0	7	7	COC[C@@H](OC(=O)Cc1ccc([N+](=O)[O-])cc1)c1nccs1
342597902	ZINC000590808747	ref	6.5	-47.54	1	291.395	1.94	2	3	5	CC(C)COc1ncccc1C(=O)N[C@@H]1CCC[N@H+](C)C1
342597903	ZINC000590808747	mid	7.01	-50.82	1	291.395	1.94	2	3	5	CC(C)COc1ncccc1C(=O)N[C@@H]1CCC[N@@H+](C)C1
214189594	ZINC000278492509	ref	5.15	-16.17	0	309.362	1.733	1	5	8	CNC(=O)COc1ccc(OCCO[C@@H]2CCCCO2)cc1
214189598	ZINC000278492062	ref	7.83	-10.65	0	321.398	3.15	0	6	7	COC[C@@H](OC(=O)[C@@H](C)Oc1cccc(C)c1)c1nccs1
342597904	ZINC000590808747	mid	4.14	-13.53	0	291.395	1.94	1	4	5	CC(C)COc1ncccc1C(=O)N[C@@H]1CCCN(C)C1
342597905	ZINC000590808014	ref	4.31	-10.98	0	298.383	1.275	2	4	3	COC(=O)C1(CNC(=O)N2CCC[C@H](O)[C@H]2C)CCCC1
168365023	ZINC000039048562	ref	1.89	-39.23	1	150.225	1.159	2	1	2	C[C@@H]([NH3+])Cc1cccc(N)c1
178291434	ZINC000192709317	ref	4.46	-6.07	0	249.31	2.561	1	4	2	Cc1cc2c(cc1N[C@@H]1CCOC[C@H]1C)OCO2
398246119	ZINC000179907737	high	6.74	-3.86	0	238.375	3.615	1	3	6	CC(C)CC[C@@H](NCc1ccon1)C(C)(C)C
365621618	ZINC000576535922	ref	7.04	-7.8	0	249.354	3.624	1	2	5	CCOc1cc(NC(=O)[C@@H](C)C(C)C)ccc1C
398246123	ZINC000578151852	ref	6.32	-5.33	0	241.331	1.88	1	3	6	CCOC(=O)C(C)(C)CC(=O)N[C@H](C)C1CC1
398246131	ZINC000350783303	ref	5.9	-47.04	1	245.326	2.622	1	3	5	CCc1ccc(-c2noc([C@@H](C)C[NH2+]C)n2)cc1
398246142	ZINC000578151882	ref	5.21	-5.79	0	205.248	2.192	1	1	4	CC[C@@H](NC(=O)C1CC(C)C1)C(F)F
178291443	ZINC000180221762	ref	3.54	-15.34	0	248.282	1.366	1	4	2	Cc1cc2c(cc1N[C@@H]1CCN(C)C1=O)OCO2
398246145	ZINC000615410927	ref	6.66	-9.6	0	247.338	2.671	0	2	4	CCOC1CN(C(=O)c2cccc(C(C)C)c2)C1
365621626	ZINC000343692146	ref	7.21	-42.3	1	244.338	1.955	2	2	4	CC[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1O
398246154	ZINC000350892408	ref	-0.33	-9.57	0	236.337	-0.114	1	3	4	CCN(CC)S(=O)(=O)N1C[C@H](C)[C@@H](O)C1
398246158	ZINC000179929273	ref	7.38	-7.86	0	225.357	3.235	0	2	3	CC[C@H](C)N(C)C(=O)c1csc(C)c1C
398246163	ZINC000350858288	ref	-1.72	-15.93	0	236.275	0.119	3	4	6	CNC(=O)CCCNc1ccnc(C(N)=O)c1
398246167	ZINC000179907336	ref	8.17	-9.7	0	249.329	3.899	1	1	2	Cc1cccc(F)c1NC(=O)[C@H]1CCC[C@H](C)C1
168365022	ZINC000083344525	ref	8.25	-1.55	0	205.345	4.152	1	1	5	CCC(CC)CNc1c(C)cccc1C
168365025	ZINC000336753663	ref	2.02	-39.37	1	215.337	1.554	2	2	7	CCC(CC)C[NH2+][C@]1(CCO)CCOC1
398246171	ZINC000179905453	ref	9.27	-47.82	1	238.419	4.121	1	1	8	CC(C)CC[C@@H]([NH2+]CCCCC#N)C(C)(C)C
365621635	ZINC000343692146	mid	6.99	-41.55	1	244.338	1.955	2	2	4	CC[C@@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1O
178291461	ZINC000180216450	ref	1.27	-14.57	0	234.255	1.024	2	4	2	Cc1cc2c(cc1N[C@@H]1CCNC1=O)OCO2
398246177	ZINC000179909402	ref	7.9	-37.95	1	244.363	3.09	1	2	2	C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cncs1
398246180	ZINC000179909402	mid	8.09	-36.69	1	244.363	3.09	1	2	2	C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cncs1
342082179	ZINC000625330535	mid	3.67	-11.49	0	290.473	1.473	1	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H](C)CS(C)(=O)=O
342082180	ZINC000625330535	mid	4.42	-45.1	1	290.473	1.473	1	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H](C)CS(C)(=O)=O
168365026	ZINC000302455299	ref	6.69	-50.19	1	238.375	2.166	1	1	5	CCC(CC)C[NH2+][C@H]1CC(=O)N2CCCC[C@H]12
365621639	ZINC000576534209	ref	3.79	-41.56	1	224.308	0.541	3	2	6	CC[N@H+](C)CCNC(=O)NCC1(C#N)CC1
398246186	ZINC000179909402	mid	5.89	-4.9	0	244.363	3.09	0	3	2	C[C@@H]1Cc2ccccc2CN1Cc1cncs1
168365024	ZINC000044461569	ref	2.65	-68.55	1	152.197	0.21	1	1	2	C[C@@H]([NH3+])Cc1cc[n+]([O-])cc1
210256559	ZINC000428334282	ref	1.7	-51.59	1	346.387	0.489	4	4	3	C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)[C@H](C)C1
214189585	ZINC000337636177	ref	7.76	-9.48	0	257.337	2.377	1	3	4	CC(=O)N[C@@H](Cn1ccnc1)c1ccc(C)cc1C
398246120	ZINC000651448130	ref	8.75	-8.37	0	297.402	3.098	0	4	3	COCc1nc(C)cc(N2CCc3ccccc3[C@H](C)C2)n1
299072354	ZINC000358088622	ref	4.06	-52.1	1	305.378	1.233	2	3	6	COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1
210256562	ZINC000428334282	mid	2.03	-52.08	1	346.387	0.489	4	4	3	C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)[C@H](C)C1
214189589	ZINC000337636177	low	8.28	-37.12	1	257.337	2.377	1	2	4	CC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C
299072355	ZINC000358088622	high	3.11	-12.85	0	305.378	1.233	2	4	6	COc1cccc(NC(=O)C[C@@H](C)N[C@H]2CC(=O)N(C)C2)c1
214189592	ZINC000337632878	ref	7.13	-14.71	0	285.343	3.169	0	3	2	COc1ccc2occ(C(=O)N3C[C@H]4[C@@H](C3)C4(C)C)c2c1
214189595	ZINC000337635344	ref	7.2	-9.65	0	261.369	2.196	1	3	6	CC[C@@H](C)N(C)C(=O)c1ccc(NCC2CC2)nc1
214189602	ZINC000337635819	ref	0.01	-20.46	0	286.357	-0.143	3	4	5	CS(=O)(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cnc[nH]1
210256565	ZINC000428334282	mid	-0.65	-10.57	0	346.387	0.489	3	5	3	C[C@@H](O)CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)[C@H](C)C1
210256568	ZINC000428334282	high	-2.47	-46.25	-1	346.387	0.489	2	5	3	C[C@@H](O)CN1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)[C@H](C)C1
210256571	ZINC000428334317	ref	1.94	-51.75	1	346.387	0.489	4	4	3	C[C@H]1C[N@H+](C[C@@H](C)O)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
210256576	ZINC000428334317	mid	1.7	-52.49	1	346.387	0.489	4	4	3	C[C@H]1C[N@@H+](C[C@@H](C)O)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
197596314	ZINC000290102754	ref	4.41	-13.41	0	283.324	1.458	1	5	7	CC[C@@H](COC)NC(=O)c1c(C)coc1CC(=O)OC
210256579	ZINC000428334317	mid	-0.52	-11.58	0	346.387	0.489	3	5	3	C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
342597906	ZINC000364840772	ref	6.07	-39.3	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1
299072356	ZINC000358087028	ref	4.93	-40.69	1	306.406	1.859	2	3	8	CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1
342597907	ZINC000364840772	mid	6.43	-39.1	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1
342597908	ZINC000364840772	high	4.07	-8.11	0	280.412	1.768	0	3	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]2CCN(C)[C@@H]2C1
299072353	ZINC000176499634	ref	5.72	-7.56	0	267.398	3.034	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1nccs1
365621620	ZINC000641589974	ref	3.85	-13.16	0	253.248	1.48	1	2	1	Cc1cc(F)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(F)c1
365621624	ZINC000641590112	ref	3.34	-5.12	0	253.302	1.777	1	5	1	Fc1ccc2nc(N3CCOCCN3)sc2c1
365621628	ZINC000641590268	ref	5.5	-15.98	0	298.346	1.036	1	5	3	CCc1nc(C(=O)N2C[C@H]3C[C@@]3(O)C2)nn1-c1ccccc1
365621636	ZINC000641589844	ref	4.71	-12.5	0	253.342	1.175	1	3	3	C[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@H]2C[C@@]2(O)C1
197596315	ZINC000290102422	ref	3.61	-6.5	0	286.335	2.829	0	6	5	CC1(C)C[C@@H]1c1noc(-c2cnc(OCC3CC3)cn2)n1
365621640	ZINC000641590560	ref	5.37	-9.25	0	259.349	1.767	1	2	3	Cc1ccccc1C[C@H](C)C(=O)N1C[C@@H]2C[C@]2(O)C1
282120123	ZINC000449149373	ref	6.52	-56.86	-1	279.336	2.402	2	4	5	CC(C)(C)CC[C@@H](NC(=O)c1ccccc1O)C(=O)[O-]
342597909	ZINC000590809029	ref	6.13	-12.92	0	287.367	1.992	2	3	2	Cn1nc(C(C)(C)C)cc1C(=O)N=c1cc(C2CC2)[nH][nH]1
342597910	ZINC000590808057	ref	5.32	-13.83	0	294.351	1.637	2	4	6	CCN(C(=O)Nc1ccc(CC(=O)OC)cc1)[C@@H](C)CO
342597911	ZINC000590807788	ref	8.15	-48.06	1	298.39	1.965	2	2	2	C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cccc(C#N)c1
342597912	ZINC000590807788	mid	8.18	-46.4	1	298.39	1.965	2	2	2	C[C@@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc(C#N)c1
342597913	ZINC000590807788	high	5.92	-12.0	0	298.39	1.965	1	3	2	C[C@@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1cccc(C#N)c1
342597914	ZINC000590808396	ref	5.74	-49.96	1	264.373	1.462	3	2	3	C[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597915	ZINC000590808396	mid	6.28	-52.93	1	264.373	1.462	3	2	3	C[N@H+]1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597916	ZINC000590808396	high	3.39	-16.32	0	264.373	1.462	2	3	3	CN1CCC[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597917	ZINC000364840914	ref	7.4	-39.52	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1
342597918	ZINC000364840914	mid	6.56	-39.24	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1
342597919	ZINC000590808749	ref	5.88	-44.99	1	280.393	1.645	2	3	2	C[N@@H+]1CCC[C@@H](NC(=O)c2cc3c(s2)CCOC3)C1
342597920	ZINC000590808749	mid	5.34	-43.23	1	280.393	1.645	2	3	2	C[N@H+]1CCC[C@@H](NC(=O)c2cc3c(s2)CCOC3)C1
342597921	ZINC000590808749	mid	2.99	-9.04	0	280.393	1.645	1	4	2	CN1CCC[C@@H](NC(=O)c2cc3c(s2)CCOC3)C1
342600588	ZINC000616999444	ref	4.0	-35.52	1	270.417	1.63	3	2	4	CC(C)[C@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365621637	ZINC000623050240	ref	2.41	-13.34	0	302.334	1.146	1	6	4	CCc1noc(CN2C[C@H](C(=O)NC)Oc3ccccc32)n1
342082181	ZINC000625330535	high	3.67	-11.49	0	290.473	1.473	0	4	8	CCN(C[C@@H]1CCCN1CC)C[C@@H](C)CS(C)(=O)=O
365621641	ZINC000623046966	ref	4.34	-18.21	0	315.373	1.726	2	3	2	Cc1ccccc1N(C)C(=O)C1CCC2(CC1)NC(=O)NC2=O
342082182	ZINC000625330769	ref	4.71	-33.79	1	258.406	1.454	1	3	9	CCN(C[C@@H](COC)OC)C[C@@H]1CCC[N@@H+]1CC
342082183	ZINC000625330769	mid	4.37	-31.57	1	258.406	1.454	1	3	9	CCN(C[C@@H](COC)OC)C[C@@H]1CCC[N@H+]1CC
342082184	ZINC000625330769	mid	4.71	-33.79	1	258.406	1.454	1	3	9	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H](COC)OC
342082185	ZINC000625330769	mid	4.37	-31.57	1	258.406	1.454	1	3	9	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H](COC)OC
342082186	ZINC000625330065	ref	6.77	-42.39	1	265.405	1.604	1	4	7	CCN(Cc1ncnn1CC)C[C@@H]1CCC[N@@H+]1CC
365621646	ZINC000623045207	ref	0.32	-39.75	-1	302.281	1.227	2	4	4	O=C(N[C@H](C(F)F)C1CCCCC1)c1n[nH]c(=O)[n-]c1=O
342082187	ZINC000625330065	mid	7.93	-39.01	1	265.405	1.604	1	4	7	CCN(Cc1ncnn1CC)C[C@@H]1CCC[N@H+]1CC
342082188	ZINC000625330230	ref	4.22	-15.06	0	294.401	1.73	1	4	4	O=S(=O)(NCc1ccns1)C1Cc2ccccc2C1
342088472	ZINC000121512382	ref	5.31	-13.63	0	299.334	1.363	2	4	4	C=CCN(C)C(=O)C(=O)Nc1cccc(-c2n[nH]c(C)n2)c1
365621651	ZINC000623045207	low	1.84	-12.99	0	302.281	1.227	3	4	4	O=C(N[C@H](C(F)F)C1CCCCC1)c1n[nH]c(=O)[nH]c1=O
365621656	ZINC000623046466	ref	6.71	-14.94	0	313.352	1.295	2	5	4	O=C(N[C@H](C(F)F)C1CCCCC1)c1nc2n(n1)CCCN2
365621661	ZINC000623047065	ref	5.36	-9.01	0	314.389	1.968	0	5	3	COCn1ccc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)n1
342088473	ZINC000121428111	ref	6.77	-13.03	0	285.347	1.393	1	4	4	Cn1cncc1CCNC(=O)[C@@H]1OCCc2ccccc21
342088474	ZINC000121428111	low	7.29	-36.92	1	285.347	1.393	1	3	4	Cn1c[nH+]cc1CCNC(=O)[C@@H]1OCCc2ccccc21
365621667	ZINC000623045261	ref	5.19	-8.66	0	315.32	1.674	2	4	4	Cc1cc(NC(=O)C(=O)N[C@H](C(F)F)C2CCCCC2)no1
365621672	ZINC000623049742	ref	0.83	-11.9	0	322.287	1.848	2	5	4	Cc1noc([C@H]2CC[C@@H](CNC(=O)N[C@@H](C)C(F)(F)F)O2)n1
342088475	ZINC000121527612	ref	5.76	-16.5	0	253.346	1.284	1	4	8	CC(C)OCCCC(=O)NCCc1cncn1C
342088476	ZINC000121527612	low	6.27	-40.59	1	253.346	1.284	1	3	8	CC(C)OCCCC(=O)NCCc1c[nH+]cn1C
342088477	ZINC000121510988	ref	6.11	-15.91	0	251.33	1.038	1	4	5	Cn1cncc1CCNC(=O)C[C@@H]1CCCCO1
365621645	ZINC000641589862	ref	5.4	-9.62	0	294.354	1.86	1	3	2	O=C(N1C[C@@H]2C[C@]2(O)C1)C1(c2nccc3ccccc23)CC1
365621650	ZINC000641590175	ref	5.02	-11.05	0	285.299	1.308	1	4	1	Cc1c(C(=O)N2C[C@@H]3C[C@]3(O)C2)oc(=O)c2ccccc12
365621654	ZINC000641589903	ref	3.15	-15.82	0	277.711	1.194	1	4	1	O=C(c1cnn2cccc(Cl)c12)N1C[C@@H]2C[C@]2(O)C1
365621660	ZINC000641589765	ref	5.01	-14.64	0	261.321	1.105	1	3	4	Cc1ccc(COCC(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
365621664	ZINC000479708551	ref	4.69	-12.15	0	285.347	1.941	2	3	5	C[C@@H](Cc1ccccc1)C(=O)Nc1cc(C(N)=O)n(C)c1
365621674	ZINC000641589874	ref	1.9	-13.55	0	287.36	1.081	0	4	3	CN(C)S(=O)(=O)[C@@H]1CCCN(c2ccncc2F)C1
197596320	ZINC000162853580	ref	6.83	-8.42	0	308.422	2.158	1	3	3	O=C(NCC1(C2CC2)CCC1)N1CCOC2(CCOCC2)C1
365621679	ZINC000641589874	low	2.36	-44.53	1	287.36	1.081	0	3	3	CN(C)S(=O)(=O)[C@@H]1CCCN(c2cc[nH+]cc2F)C1
365621687	ZINC000641590555	ref	3.74	-12.41	0	265.284	1.106	1	3	3	CO[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccc(F)cc1
365621693	ZINC000641590184	ref	6.54	-8.53	0	255.325	1.812	0	5	2	Cc1cncnc1N1CC=C(c2ccnn2C)CC1
365621700	ZINC000641590154	ref	1.71	-11.46	0	284.315	1.45	1	4	2	COc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c2ccccc2n1
398249528	ZINC000390796977	ref	2.06	-8.22	0	238.312	1.411	2	4	2	C[C@H]1SCC[C@H]1NC(=O)c1cncc(O)c1
365621705	ZINC000641590320	ref	3.77	-14.18	0	271.238	1.97	1	2	2	O=C(c1cc(C(F)F)ccc1F)N1C[C@H]2C[C@@]2(O)C1
365621711	ZINC000641590193	ref	2.85	-11.14	0	285.702	1.694	1	3	2	COc1cc(F)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)c(Cl)c1
365621720	ZINC000641589989	ref	5.98	-6.76	0	275.352	1.74	0	5	2	c1nc(C2CC2)cc(N2CCO[C@]3(CCCOC3)C2)n1
342597922	ZINC000590807798	ref	3.14	-12.95	0	288.351	1.443	3	3	5	CC[C@@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C(=O)NC
365621725	ZINC000641589775	ref	5.59	-39.09	1	274.364	1.1	2	2	4	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)[N@H+](C)Cc1ccccc1
365621730	ZINC000641589775	mid	5.58	-40.56	1	274.364	1.1	2	2	4	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)[N@@H+](C)Cc1ccccc1
342597923	ZINC000590809296	ref	6.43	-19.86	0	281.319	1.917	2	3	2	Cc1ccn2cc(C(=O)N=c3cc(C4CC4)[nH][nH]3)nc2c1
365621733	ZINC000641589775	mid	3.15	-11.06	0	274.364	1.1	1	3	4	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)N(C)Cc1ccccc1
365621739	ZINC000641589814	ref	5.33	-11.41	0	271.36	1.874	1	2	1	C[C@]1(C(=O)N2C[C@H]3C[C@@]3(O)C2)CCCc2ccccc21
365621745	ZINC000641589846	ref	4.7	-12.46	0	253.342	1.175	1	3	3	C[C@@H]1CCCC[C@@H]1OCC(=O)N1C[C@@H]2C[C@]2(O)C1
210256584	ZINC000428334317	high	-2.33	-46.09	-1	346.387	0.489	2	5	3	C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
398246124	ZINC000651449165	ref	7.18	-11.43	0	272.348	3.404	1	3	4	CC[C@H](C#N)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1
210256518	ZINC000004714115	ref	9.19	-23.15	0	347.403	2.784	1	5	3	O=C1C(=NN=c2[nH]ccs2)C(c2ccccc2)=NN1c1ccccc1
210256521	ZINC000004713225	ref	8.87	-5.3	0	342.609	3.958	0	2	1	O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1
210256526	ZINC000004713322	ref	8.67	-7.31	0	334.424	2.201	1	7	8	CCCCCCn1c(N=NC(C)CC)nc2c1c(=O)[nH]c(=O)n2C
342597924	ZINC000590808255	ref	5.73	-9.15	0	268.357	1.985	2	3	6	C=C(CC)CNC(=O)NCC1(C(=O)OC)CCCC1
210256531	ZINC000004712267	ref	11.3	-57.14	-1	348.402	4.557	1	5	4	Cc1cccc(-n2c(C)cc(/C=N/c3ccc(O)c(C(=O)[O-])c3)c2C)c1
210256536	ZINC000004710604	ref	7.52	-15.41	0	348.387	3.5	0	5	2	S=C1N=NC(c2ccc3c(c2)OCO3)N1c1cccc2ncccc12
342597925	ZINC000590808302	ref	4.63	-10.85	0	298.383	1.444	2	4	4	COC(=O)C1(CNC(=O)N[C@@H]2COCC2(C)C)CCCC1
342597926	ZINC000364841043	ref	2.99	-9.0	0	296.411	1.148	0	4	6	C=C[C@@](C)(CCOC)C(=O)N1CCN([C@@H]2CCOC2)CC1
136228531	ZINC000283244660	ref	10.38	-11.63	0	243.35	2.798	0	1	4	CC#CC(=O)N(C)[C@H](CC)Cc1ccc(C)cc1
342597927	ZINC000364841043	low	5.39	-45.46	1	296.411	1.148	1	3	6	C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1
136228532	ZINC000230376175	ref	0.07	-47.92	1	229.28	-0.582	4	3	2	C[C@@]1(O)CCC[N@H+](CC(=O)NC(N)=O)CC1
342597928	ZINC000590809046	ref	4.36	-13.85	0	259.313	1.257	2	3	3	CCc1c(C(=O)N=c2cc(C3CC3)[nH][nH]2)cnn1C
210256541	ZINC000004711796	ref	11.64	-9.09	0	333.456	4.844	0	2	2	Cc1ccc([C@@H]2c3ccsc3CCN2C(=O)c2ccccc2)cc1
299072357	ZINC000080009850	ref	6.22	-11.01	0	311.813	2.519	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)c1ccccc1Cl)C(=O)N(C)C
214189593	ZINC000293640210	ref	2.04	-19.9	0	353.36	0.41	1	8	7	CCn1ncc(C(=O)NCCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)n1
136228533	ZINC000230376175	mid	0.29	-48.33	1	229.28	-0.582	4	3	2	C[C@@]1(O)CCC[N@@H+](CC(=O)NC(N)=O)CC1
259308715	ZINC000187712893	ref	4.11	-56.13	1	239.319	-0.182	2	2	3	CCC[C@@H](C)[N@@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1
342597929	ZINC000590808177	ref	4.79	-11.76	0	298.383	1.586	2	4	5	COC(=O)C1(CNC(=O)N[C@@H]2CCC[C@H]2OC)CCCC1
342597930	ZINC000590808371	ref	6.49	-50.12	1	290.342	1.591	3	2	3	C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1
214189596	ZINC000293636121	ref	-0.71	-49.99	-1	359.308	0.247	1	5	3	C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1nccnc1C(N)=O
214189600	ZINC000293636121	mid	1.02	-15.41	0	359.308	0.247	2	5	3	C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1nccnc1C(N)=O
197596333	ZINC000162857043	ref	7.43	-15.08	0	321.396	2.539	1	2	4	CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@@H](C)c1ccc(F)cc1
342597931	ZINC000590808371	mid	5.96	-47.97	1	290.342	1.591	3	2	3	C[N@H+]1CCC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1
214189604	ZINC000293643376	ref	-0.49	-14.71	0	360.407	0.347	2	5	6	CC[C@H](O)CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F
342597932	ZINC000590808371	high	3.6	-12.96	0	290.342	1.591	2	3	3	CN1CCC[C@@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1
342597933	ZINC000590809094	ref	4.3	-12.57	0	290.367	1.342	3	2	4	C[C@@H](NC(=O)C1CCCC1)C(=O)N=c1cc(C2CC2)[nH][nH]1
349535644	ZINC000618815846	ref	6.83	-11.02	0	294.305	1.685	0	4	5	CN(Cc1cn(C)nn1)C(=O)CCc1cc(F)ccc1F
185089848	ZINC000096076008	ref	8.04	-39.88	1	274.368	1.12	1	3	3	Cn1ccnc1C(=O)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
342597934	ZINC000590808806	ref	6.0	-55.27	1	289.379	1.212	2	2	3	CN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)c1
342597935	ZINC000590808806	mid	6.51	-59.37	1	289.379	1.212	2	2	3	CN(C)C(=O)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1
343995008	ZINC000625564105	ref	9.5	-32.22	1	201.313	3.219	1	0	2	C[C@H]1C[C@H]1C[N@@H+]1Cc2ccccc2[C@H]1C
349535648	ZINC000618816528	ref	7.91	-21.28	0	284.363	1.886	0	4	4	Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)Cc2cn(C)nn2)cc1
349535655	ZINC000618815910	ref	4.75	-20.32	0	260.288	1.455	0	4	6	CC[C@@H](CC(F)F)C(=O)N(C)Cc1cn(C)nn1
185089850	ZINC000096076008	mid	8.13	-38.9	1	274.368	1.12	1	3	3	Cn1ccnc1C(=O)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
349535659	ZINC000618814374	ref	4.47	-14.32	0	296.277	1.689	0	5	5	CN(Cc1cn(C)nn1)C(=O)c1cccc(OC(F)F)c1
349535664	ZINC000618815274	ref	6.43	-9.66	0	264.373	1.846	0	4	3	CN(Cc1cn(C)nn1)C(=O)C1CC(C(C)(C)C)C1
349535670	ZINC000618814395	ref	5.08	-10.19	0	299.256	1.501	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(C(F)(F)F)cn1
124847202	ZINC000013987582	ref	11.79	-20.03	0	475.618	4.948	2	6	6	C[C@@H]1CCC[C@@H](NC(=O)NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)[C@@H]1C
349535676	ZINC000618814689	ref	4.39	-9.89	0	270.745	1.802	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Cl)s1
349535681	ZINC000618815900	ref	4.93	-22.9	0	260.288	1.455	0	4	6	CC[C@H](CC(F)F)C(=O)N(C)Cc1cn(C)nn1
398246128	ZINC000651452112	ref	7.74	-40.06	1	274.408	3.326	1	2	5	CC(C)[C@H]([NH2+][C@@H]1CCO[C@H](c2cccnc2)C1)C1CC1
214189597	ZINC000053609175	ref	0.63	-15.04	0	346.456	1.996	2	5	9	CCCCN(CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
178291474	ZINC000192342643	ref	1.15	-9.49	0	232.239	2.324	1	5	3	Cc1cc2c(cc1NCc1cocn1)OCO2
365621647	ZINC000576534209	mid	3.78	-41.52	1	224.308	0.541	3	2	6	CC[N@@H+](C)CCNC(=O)NCC1(C#N)CC1
398246133	ZINC000651447693	ref	7.12	-6.9	0	294.358	3.092	0	5	1	Cc1noc2ncnc(N3CCc4ccccc4[C@@H](C)C3)c12
365621653	ZINC000576534209	high	1.46	-9.72	0	224.308	0.541	2	3	6	CCN(C)CCNC(=O)NCC1(C#N)CC1
365621659	ZINC000576552094	ref	2.91	-9.78	0	245.388	1.653	2	3	6	CSCC(=O)N[C@@H](C(C)C)C1(CO)CCC1
365621668	ZINC000343696883	ref	1.44	-38.04	1	231.292	-0.387	3	4	4	CC[C@@H]1C[N@H+](C[C@@](C)(O)C(=O)OC)C[C@H]1O
398246136	ZINC000651452042	ref	5.83	-44.06	1	272.348	3.246	1	3	4	C[C@H]([NH2+][C@@H]1CCO[C@H](c2cccnc2)C1)c1ccoc1
178291482	ZINC000006070419	ref	3.32	-8.12	0	246.306	2.53	2	3	1	Cc1cc2c(cc1O)[C@@](C)(O)C(=O)C=C2C(C)C
365621680	ZINC000343696883	mid	1.56	-39.65	1	231.292	-0.387	3	4	4	CC[C@@H]1C[N@@H+](C[C@@](C)(O)C(=O)OC)C[C@H]1O
178291485	ZINC000003122376	ref	7.5	-3.06	0	246.394	4.397	1	1	1	Cc1cc2c(cc1[C@H](C)O)C(C)(C)CCC2(C)C
365621686	ZINC000343696883	high	-0.74	-6.31	0	231.292	-0.387	2	5	4	CC[C@@H]1CN(C[C@@](C)(O)C(=O)OC)C[C@H]1O
214189599	ZINC000053609175	low	3.44	-43.71	1	346.456	1.996	3	4	9	CCCC[N@H+](CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
365621690	ZINC000576534312	ref	3.52	-11.98	0	244.298	1.493	2	3	4	Cc1cccnc1CNC(=O)NCC1(C#N)CC1
365621698	ZINC000576538343	ref	5.75	-8.91	0	246.314	1.343	1	3	1	C[C@H]1CC[C@H]1NC(=O)N1CCc2cncnc2C1
398246139	ZINC000651452042	high	4.82	-6.69	0	272.348	3.246	1	4	4	C[C@H](N[C@@H]1CCO[C@H](c2cccnc2)C1)c1ccoc1
398246143	ZINC000651452411	ref	8.52	-12.95	0	287.407	3.204	1	2	2	Cn1cccc1[C@H]1CCCN1C(=O)NC1CC2(CCC2)C1
214189603	ZINC000053609175	low	2.83	-41.32	1	346.456	1.996	3	4	9	CCCC[N@@H+](CC(N)=O)Cc1csc(-c2ccc(C(N)=O)cc2)n1
178291492	ZINC000272699469	ref	2.93	-11.28	0	246.27	1.464	1	6	3	Cc1cc2c(cc1NCc1cnnn1C)OCO2
398246147	ZINC000651448256	ref	9.1	-5.81	0	256.324	3.387	0	2	1	C[C@@H]1CN(c2ncccc2F)CCc2ccccc21
259308717	ZINC000187712893	mid	4.07	-53.78	1	239.319	-0.182	2	2	3	CCC[C@@H](C)[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1
365621703	ZINC000576535580	ref	7.97	-4.29	0	241.325	3.561	1	1	6	Cc1cccc(CC[C@@H](C)NCC(C)(F)F)c1
210256553	ZINC000004713728	ref	9.39	-11.69	0	344.754	3.034	0	4	2	CN1C(=O)C(=Cc2ccc(-c3ccccc3Cl)o2)C(=O)N(C)C1=O
349535645	ZINC000594970366	ref	9.42	-31.74	1	274.364	2.877	1	3	5	COC(=O)[C@@H]1C[C@H]1[C@H](C)Nc1[nH+]ccc(C)c1C1CC1
210256555	ZINC000004709873	ref	7.33	-11.43	0	349.308	4.215	1	3	3	COc1cc2c(cc1OC)/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)N2
190491936	ZINC000269407525	ref	5.99	-9.08	0	284.45	3.14	1	4	4	CC(C)c1ncc(C(=O)NCC2CCSCC2)s1
210256560	ZINC000004713166	ref	9.52	-7.31	0	343.217	4.896	0	4	4	Clc1cc(N=NCc2ccccc2Cl)nc(-c2ccccc2)n1
210256566	ZINC000004713867	ref	10.36	-8.64	0	330.478	3.696	0	4	5	C=CCN1C(=O)/C(=C\C=C/c2ccc(N(C)C)cc2)SC1=S
349535649	ZINC000594970366	mid	9.06	-7.86	0	274.364	2.877	1	4	5	COC(=O)[C@@H]1C[C@H]1[C@H](C)Nc1nccc(C)c1C1CC1
349535653	ZINC000594973603	ref	7.47	-46.07	1	292.285	2.987	1	3	6	C[C@@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(C#N)o1
190491939	ZINC000269403951	ref	8.48	-18.31	0	276.315	2.242	1	3	5	CC(C)CN(Cc1ccccc1F)C(=O)c1nc[nH]n1
210256572	ZINC000004712317	ref	9.32	-9.11	0	338.823	4.803	1	5	4	N#CC(=NNc1ccccc1Cl)c1nc(-c2ccccc2)cs1
282120125	ZINC000248950987	mid	5.27	-55.02	1	301.33	1.28	2	4	5	COC(=O)C[C@@H]1CSCC[N@H+]1C[C@@H](O)CC(F)(F)F
210256575	ZINC000004712006	ref	8.8	-4.07	0	348.162	4.821	1	2	3	O=C(C1=C(Nc2ccc(Br)cc2)CCCC1)C(F)(F)F
137823082	ZINC000408015992	ref	6.23	-38.6	1	293.411	0.988	2	2	1	C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1
282120130	ZINC000248948630	ref	6.79	-39.11	1	302.418	1.664	2	2	4	C[C@H]1CC[N@H+](CCC(=O)N2CCc3ccccc3C2)[C@H]1CO
185089851	ZINC000096076008	high	5.0	-7.81	0	274.368	1.12	0	4	3	Cn1ccnc1C(=O)N1CC[C@@]2(CCN2CC2CC2)C1
282120134	ZINC000248948630	mid	6.94	-39.51	1	302.418	1.664	2	2	4	C[C@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)[C@H]1CO
342082189	ZINC000625331776	ref	6.75	-40.82	1	281.404	1.442	1	5	7	CCN(Cc1nc(N(C)C)no1)C[C@@H]1CCC[N@@H+]1CC
214189601	ZINC000278492928	ref	2.09	-12.32	0	302.334	1.192	2	5	6	CCn1cc(NC(=O)Cc2cccc(OC)c2)c(C(N)=O)n1
210256581	ZINC000004710392	ref	9.22	-10.67	0	330.384	3.207	2	5	6	CCOC(=O)C=C(Nc1ccc2c(C)c(C)[nH]c2c1)C(=O)OCC
342082190	ZINC000625331776	mid	6.49	-37.01	1	281.404	1.442	1	5	7	CCN(Cc1nc(N(C)C)no1)C[C@@H]1CCC[N@H+]1CC
342082191	ZINC000625331776	high	4.38	-5.73	0	281.404	1.442	0	6	7	CCN(Cc1nc(N(C)C)no1)C[C@@H]1CCCN1CC
365621648	ZINC000121838453	ref	6.31	-36.23	1	290.407	2.411	2	2	6	CC[C@H](CNC(=O)[C@H]1CCCC[NH2+]1)Oc1ccccc1C
342597936	ZINC000590808806	mid	3.65	-13.39	0	289.379	1.212	1	3	3	CN1CCC[C@@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1
365621655	ZINC000121838453	high	4.94	-6.78	0	290.407	2.411	2	3	6	CC[C@H](CNC(=O)[C@H]1CCCCN1)Oc1ccccc1C
349535647	ZINC000093300306	ref	2.32	-7.08	0	262.309	0.854	2	3	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@H]1O
342597937	ZINC000590808843	ref	5.0	-17.07	0	296.392	1.371	0	4	4	CCN(CC(=O)N(C)C)C(=O)c1cc2c(s1)CCOC2
365621662	ZINC000121834590	ref	6.9	-35.62	1	291.439	2.057	1	3	8	CCC[C@@H]1CN(CCc2ccncc2)CC[N@@H+]1CCOC
342597938	ZINC000590808982	ref	4.22	-15.76	0	259.309	1.854	2	3	1	Cc1ccc(C#N)cc1NC(=O)N1CC[C@@H](O)[C@H]1C
365621665	ZINC000121834590	mid	6.76	-35.06	1	291.439	2.057	1	3	8	CCC[C@@H]1CN(CCc2ccncc2)CC[N@H+]1CCOC
365621669	ZINC000121834590	mid	7.65	-41.2	1	291.439	2.057	1	3	8	CCC[C@@H]1C[N@H+](CCc2ccncc2)CCN1CCOC
282120127	ZINC000374936997	ref	6.41	-46.56	1	308.426	0.733	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@H]23)C1
342597939	ZINC000590807796	ref	3.14	-13.09	0	288.351	1.443	3	3	5	CC[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)NC
282120151	ZINC000362078682	ref	8.63	-40.99	1	293.455	2.548	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3CCC[C@H]3C2)C1
282120164	ZINC000335979988	ref	7.19	-40.79	1	253.39	1.768	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC2(C)C)C1
365621673	ZINC000121834590	mid	6.53	-42.69	1	291.439	2.057	1	3	8	CCC[C@@H]1C[N@@H+](CCc2ccncc2)CCN1CCOC
342597940	ZINC000590808929	ref	4.24	-29.64	0	276.317	1.761	2	4	2	O=C(Nc1c[nH]ccc1=O)c1cc2c(s1)CCOC2
323004213	ZINC000126711139	low	8.15	-72.0	1	241.316	0.385	1	4	4	O=C([O-])[C@H]1CSCC[N@H+]1CCn1cc[nH+]c1
342597941	ZINC000590808654	ref	6.3	-41.25	1	289.423	1.89	2	2	5	CCN(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1
212169693	ZINC000335491015	ref	4.47	-10.61	0	279.302	2.338	1	2	2	CC1(O)CC(C(=O)N2CCC[C@H](CC(F)(F)F)C2)C1
212169696	ZINC000335491654	ref	5.39	-12.8	0	259.227	2.015	0	2	3	COc1c(F)ccc(F)c1C(=O)N1CC(CF)C1
212169700	ZINC000335491787	ref	6.31	-13.98	0	275.377	3.065	1	3	2	Cc1scc(C(=O)N2CCC[C@@H]2c2ncc[nH]2)c1C
342597942	ZINC000590808654	mid	6.81	-44.4	1	289.423	1.89	2	2	5	CCN(C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1
342597943	ZINC000590808654	mid	8.7	-85.86	2	289.423	1.89	3	1	5	CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C)C1)c1ccccc1
219048453	ZINC000350683873	ref	10.71	-45.12	1	283.419	3.486	1	2	7	Cc1ncc(C[N@@H+](CCc2ccccc2)CC(C)C)cn1
342082192	ZINC000625332091	ref	1.14	-8.96	0	284.322	1.394	2	3	6	CCN(CC(=O)NCC(C)(C)C)C[C@@H](O)C(F)(F)F
342082193	ZINC000625332091	low	3.54	-41.12	1	284.322	1.394	3	2	6	CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H](O)C(F)(F)F
219048454	ZINC000350683873	mid	10.67	-45.84	1	283.419	3.486	1	2	7	Cc1ncc(C[N@H+](CCc2ccccc2)CC(C)C)cn1
342082194	ZINC000625332091	low	3.55	-41.6	1	284.322	1.394	3	2	6	CC[N@H+](CC(=O)NCC(C)(C)C)C[C@@H](O)C(F)(F)F
342082195	ZINC000625331162	ref	2.36	-10.37	0	299.392	1.082	1	4	6	COC[C@H](C)S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
342082196	ZINC000625332271	ref	2.05	-4.77	0	277.368	1.876	0	5	6	COc1cncc(CN2CCC[C@H](OCC3CC3)C2)n1
168365027	ZINC000062567599	ref	4.65	-43.45	1	191.274	1.901	1	1	2	C[C@@H]([NH3+])Cc1ccc2c(c1)CCCO2
219048456	ZINC000350682378	ref	8.74	-40.75	1	268.445	3.049	2	1	8	CC[NH+](CC)CCC[C@H](C)NC(=O)C1CC(C)(C)C1
349535651	ZINC000093299692	ref	1.34	-7.42	0	277.324	0.558	2	4	1	Cc1ncccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](O)C1
219048458	ZINC000350682891	ref	5.72	-13.04	0	268.313	2.202	1	5	8	CCOc1cc(N(C)CCCCO)ccc1[N+](=O)[O-]
219048460	ZINC000350695009	ref	8.49	-7.43	0	285.453	3.08	0	3	5	CCS[C@H]1CCCCN(C(=O)CC[C@H]2CCCO2)C1
168365029	ZINC000033861506	ref	-3.09	-50.6	1	183.207	0.693	4	3	2	C[C@@H]([NH3+])Cc1cc(O)c(O)c(O)c1
190491944	ZINC000269403222	ref	5.11	-10.74	0	299.37	2.419	2	3	7	C[C@H](O)CNC(=O)c1cccc(OCCc2ccccc2)c1
168365031	ZINC000044461011	ref	2.6	-45.61	1	170.643	1.625	1	1	2	C[C@@H]([NH3+])Cc1ccc(Cl)nc1
342082197	ZINC000625332271	mid	4.49	-39.01	1	277.368	1.876	1	4	6	COc1cncc(C[N@@H+]2CCC[C@H](OCC3CC3)C2)n1
398246146	ZINC000036135858	ref	0.22	-42.62	1	215.297	-0.437	2	2	4	CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)C
168365032	ZINC000335394239	ref	1.02	-88.31	2	185.315	0.311	3	1	3	C[C@@H]([NH3+])CN[C@H]1CC[NH2+]CC1(C)C
219048462	ZINC000350693455	ref	6.59	-7.48	0	288.395	2.467	2	4	6	Nc1nc(C2CC2)ncc1C(=O)NCCCC1CCCC1
342082198	ZINC000625332271	mid	5.36	-37.64	1	277.368	1.876	1	4	6	COc1cncc(C[N@H+]2CCC[C@H](OCC3CC3)C2)n1
178291493	ZINC000082783712	ref	4.57	-5.07	0	270.126	1.809	1	3	1	COC(=O)[C@@H]1NCCc2c(Br)cccc21
342082199	ZINC000625331349	ref	5.19	-32.9	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@H]1CCCO1)C[C@H]1CCC[N@@H+]1CC
342082200	ZINC000625331349	mid	4.05	-38.48	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@H]1CCCO1)C[C@H]1CCC[N@H+]1CC
342082201	ZINC000625331349	high	3.2	-6.89	0	297.443	1.088	1	4	8	CCN(CC(=O)NC[C@H]1CCCO1)C[C@H]1CCCN1CC
342597944	ZINC000590808654	mid	8.68	-85.98	2	289.423	1.89	3	1	5	CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C)C1)c1ccccc1
306234497	ZINC000557851441	ref	3.62	-19.11	0	338.371	1.887	3	4	2	C[C@H](NC(=O)N1CCc2n[nH]c(=O)cc2C1)c1ccc2n[nH]cc2c1
168365028	ZINC000037771742	ref	8.68	-30.61	1	241.325	4.052	1	0	6	CCC(CC)C[NH2+][C@H](C)c1c(F)cccc1F
185089853	ZINC000096076578	ref	6.37	-40.41	1	296.392	0.921	1	4	1	C[N@@H+]1CCOC[C@@]2(CN(C(=O)c3cccs3)CCO2)C1
306234498	ZINC000557851495	ref	2.62	-22.5	0	338.414	1.332	2	6	6	O=C(CNS(=O)(=O)c1ccccc1)Nc1nnc(C2CC2)s1
342597945	ZINC000590808654	mid	8.68	-85.98	2	289.423	1.89	3	1	5	CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C)C1)c1ccccc1
210256589	ZINC000004713130	ref	9.53	-9.23	0	326.791	3.379	0	6	4	Cc1cc(C)n(-c2cc(N=NCc3cccc(Cl)c3)ncn2)n1
168365030	ZINC000037771742	high	7.79	-2.9	0	241.325	4.052	1	1	6	CCC(CC)CN[C@H](C)c1c(F)cccc1F
342597946	ZINC000590808654	mid	9.2	-92.02	2	289.423	1.89	3	1	5	CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C)C1)c1ccccc1
342597947	ZINC000590808654	high	4.28	-8.6	0	289.423	1.89	1	3	5	CCN(C)[C@@H](C(=O)N[C@@H]1CCCN(C)C1)c1ccccc1
168365033	ZINC000308951751	ref	4.03	-33.87	1	215.337	1.552	2	2	7	CCC(CC)C[NH2+][C@H](CO)[C@@H]1CCCO1
197596361	ZINC000162852883	ref	7.43	-9.78	0	300.333	2.859	0	3	3	COc1ccccc1[C@@H]1CCN(C(=O)c2cccc(F)n2)C1
168365036	ZINC000336727163	ref	3.87	-40.54	1	241.297	2.714	2	1	7	CCC(CC)C[NH2+][C@H](CC)[C@@H](O)C(F)(F)F
342597948	ZINC000590808033	ref	5.74	-9.92	0	268.357	1.985	2	3	6	C=C(C)CCNC(=O)NCC1(C(=O)OC)CCCC1
365621675	ZINC000121834590	high	4.6	-4.76	0	291.439	2.057	0	4	8	CCC[C@@H]1CN(CCc2ccncc2)CCN1CCOC
342597949	ZINC000590808029	ref	5.11	-10.48	0	298.383	1.444	2	4	7	COC(=O)C1(CNC(=O)NC[C@H](OC)C2CC2)CCCC1
210256595	ZINC000004710207	ref	7.64	-8.67	0	348.229	3.112	0	6	4	Brc1ccc(CSc2nnnn2-c2cccnc2)cc1
214189605	ZINC000278492854	ref	2.9	-13.4	0	322.283	3.428	0	5	6	Fc1cccc(Cc2nnc(SCOCC(F)(F)F)o2)c1
342597950	ZINC000590808805	ref	6.51	-59.24	1	289.379	1.212	2	2	3	CN(C)C(=O)c1cccc(C(=O)N[C@H]2CCC[N@H+](C)C2)c1
342597951	ZINC000590808805	mid	6.0	-55.06	1	289.379	1.212	2	2	3	CN(C)C(=O)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1
168365040	ZINC000037059150	ref	8.06	-6.35	0	236.315	3.751	1	3	6	CCC(CC)CNc1ccc(C)c([N+](=O)[O-])c1
342597952	ZINC000590808805	mid	3.65	-13.3	0	289.379	1.212	1	3	3	CN1CCC[C@H](NC(=O)c2cccc(C(=O)N(C)C)c2)C1
365621676	ZINC000172814229	ref	3.25	-12.84	0	259.313	1.871	1	5	3	CCn1nc(C)c(NC(=O)c2cnc(C)cn2)c1C
282120128	ZINC000449149373	high	7.46	-126.97	-2	279.336	2.402	1	4	5	CC(C)(C)CC[C@@H](NC(=O)c1ccccc1[O-])C(=O)[O-]
282120135	ZINC000449149298	ref	6.19	-40.14	1	277.412	2.153	2	2	6	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)Cc1ccncc1
282120140	ZINC000449149121	ref	7.56	-40.17	1	269.385	2.123	1	3	6	COC(=O)COC[C@H](C)[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1
365621684	ZINC000172810894	ref	1.87	-13.15	0	298.364	1.109	1	5	3	COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC[C@@H]1C
365621694	ZINC000172811877	ref	3.35	-8.35	0	263.341	1.446	1	4	5	COCCNC(=O)c1ccc(N2CCC[C@H]2C)nc1
214189606	ZINC000053602027	ref	7.09	-9.55	0	338.285	3.684	2	4	3	O=[N+]([O-])c1cc(C(F)(F)F)ccc1N[C@@H]1c2ccccc2C[C@@H]1O
365621701	ZINC000172804747	ref	4.75	-12.19	0	281.4	1.758	1	4	8	COCCCCNC(=O)[C@@H](C)Cc1c(C)nn(C)c1C
365621709	ZINC000172811510	ref	2.45	-10.56	0	252.314	1.79	0	4	3	COC[C@H]1CCCN(C(=O)c2oc(C)nc2C)C1
342082202	ZINC000625331327	ref	3.98	-10.03	0	281.377	1.6	1	3	4	CC1(S(=O)(=O)NC[C@@H]2Cc3ccccc3CO2)CC1
222609175	ZINC000170625852	ref	6.05	-53.19	-1	364.405	3.373	1	7	2	Cc1cc([O-])c(C2=Nc3ccccc3N[C@H](c3cnn(C)c3C)C2)c(=O)o1
365621715	ZINC000172813466	ref	7.81	-16.62	0	299.374	1.948	0	4	6	O=C(Cn1cccn1)N1CC[C@@H](COCc2ccccc2)C1
365621723	ZINC000172811955	ref	5.91	-18.44	0	292.383	1.861	1	4	4	CCn1nc(C)c(NC(=O)CN2CCCCCC2=O)c1C
342082203	ZINC000625331530	ref	2.68	-12.75	0	299.392	1.082	1	4	6	CO[C@H](C)CS(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
365621736	ZINC000172812551	ref	4.78	-42.47	1	264.373	1.333	3	2	6	CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc[nH]n1
342082204	ZINC000625331089	ref	1.85	-12.95	0	272.351	1.831	1	5	4	Cc1cc(S(=O)(=O)NCc2ccns2)c(C)o1
365621742	ZINC000172812551	mid	2.48	-14.0	0	264.373	1.333	3	2	6	CC[C@H]1CCCC[N@H+]1CCNC(=O)Cc1cc[nH]n1
365621748	ZINC000172812551	high	2.48	-14.0	0	264.373	1.333	2	3	6	CC[C@H]1CCCCN1CCNC(=O)Cc1cc[nH]n1
365621752	ZINC000172811679	ref	4.57	-19.25	0	264.329	1.081	1	4	4	CCn1nc(C)c(NC(=O)CN2CCCC2=O)c1C
214189611	ZINC000053587701	ref	6.77	-40.0	1	336.657	3.414	1	2	7	COCC[NH2+]C[C@H](C)Oc1c(C)cc(Br)cc1Cl
282120145	ZINC000449149397	ref	6.25	-39.03	1	296.455	2.33	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C
365621767	ZINC000172815082	ref	3.17	-10.35	0	275.333	1.677	0	5	2	O=C(c1cnc(-c2ccncc2)s1)N1CCOCC1
398246148	ZINC000645406964	ref	6.7	-106.68	2	240.391	1.874	1	2	6	COC(C)(C)[C@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1
398246150	ZINC000645406964	low	6.57	-106.0	2	240.391	1.874	2	1	6	COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1
398246153	ZINC000645406964	low	6.7	-106.68	2	240.391	1.874	2	1	6	COC(C)(C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1
210256599	ZINC000004709930	ref	9.4	-16.97	0	342.786	2.859	1	5	5	COc1ccc(CNC(=O)c2ccc(-n3cnnc3)cc2Cl)cc1
210256604	ZINC000004713162	ref	9.17	-7.67	0	326.762	4.382	0	4	4	Fc1ccc(CN=Nc2cc(Cl)nc(-c3ccccc3)n2)cc1
398246157	ZINC000417636705	ref	0.54	-52.46	1	243.351	0.696	3	2	5	CC(C)[C@H]([NH3+])CNC(=O)NC[C@]1(C)CCOC1
210256534	ZINC000272862813	ref	3.61	-16.69	0	318.373	1.457	2	4	5	CC1(C(=O)NCc2cccc(NC(=O)[C@H]3CCCO3)c2)COC1
398246164	ZINC000457184230	ref	6.04	-8.31	0	242.269	2.088	1	2	4	C[C@H]1C[C@@]1(C#N)C(=O)NCCC1CC(F)(F)C1
398246172	ZINC000457184228	ref	5.93	-8.65	0	242.269	2.088	1	2	4	C[C@@H]1C[C@@]1(C#N)C(=O)NCCC1CC(F)(F)C1
210256540	ZINC000272862382	ref	7.2	-38.8	1	311.378	1.447	1	5	11	COCC[NH+](CCOC)CCOc1ccccc1C(=O)OC
210256542	ZINC000272862382	high	5.96	-10.72	0	311.378	1.447	0	6	11	COCCN(CCOC)CCOc1ccccc1C(=O)OC
210256547	ZINC000272863637	ref	6.08	-9.92	0	313.397	2.305	2	3	7	C[C@@](O)(CC(=O)N(CCO)Cc1ccccc1)c1ccccc1
398246176	ZINC000645406942	ref	6.93	-117.36	2	238.375	1.628	1	2	4	CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCN(CC2CC2)C1
178291510	ZINC000183092416	ref	3.24	-9.79	0	231.255	2.059	2	4	3	Cc1cc2c(cc1NCc1ncc[nH]1)OCO2
210256549	ZINC000272862982	ref	7.56	-19.34	0	316.39	1.223	1	7	6	C[C@@H](Cn1cccn1)NC(=O)CSc1nnc2ccccn12
214189608	ZINC000293645851	ref	3.81	-8.33	0	365.434	0.955	2	7	7	CCOC1(CNC(=O)C(=O)Nc2c(OC)ncnc2N(C)C)CCCC1
361822826	ZINC000351631101	ref	6.27	-10.87	0	259.349	1.944	1	2	4	O=C(C[C@@H]1CCOC1)NCC1Cc2ccccc2C1
214189613	ZINC000293646165	ref	3.77	-10.2	0	361.398	0.404	1	5	5	COCCN1CN(C(=O)C(=O)Nc2ccc([C@H]3CCOC3)cc2)CC1=O
259308719	ZINC000187712893	mid	1.89	-13.84	0	239.319	-0.182	1	3	3	CCC[C@@H](C)N1CCN2C(=O)C(=O)NC[C@@H]2C1
178291511	ZINC000183092416	low	4.07	-39.45	1	231.255	2.059	2	3	3	Cc1cc2c(cc1NCc1[nH]cc[nH+]1)OCO2
210256558	ZINC000272862131	ref	7.42	-11.75	0	314.451	3.14	1	4	9	CC[C@H](CSC)N(C)C(=O)N[C@H](CCOC)c1ccco1
361822834	ZINC000351630888	ref	3.02	-9.53	0	283.416	1.753	2	3	8	C=CCCCCNC(=O)NCCN1CCOC(C)(C)C1
365621677	ZINC000623044983	ref	6.38	-16.74	0	302.374	1.463	1	3	2	C[C@H]1c2ccccc2CN1C(=O)CN1CCCC[C@@H](O)C1=O
365621685	ZINC000623046467	ref	6.96	-11.25	0	313.352	1.295	2	5	4	O=C(N[C@@H](C(F)F)C1CCCCC1)c1nc2n(n1)CCCN2
365621689	ZINC000623044984	ref	5.74	-13.38	0	302.374	1.463	1	3	2	C[C@H]1c2ccccc2CN1C(=O)CN1CCCC[C@H](O)C1=O
365621696	ZINC000623048942	ref	3.06	-16.77	0	321.425	1.129	2	4	6	CCCCCNC(=O)N1C[C@H](c2cnn(C)c2C)[C@@H](C(N)=O)C1
365621706	ZINC000623049952	ref	1.54	-16.07	0	320.353	1.462	2	7	4	Cc1noc([C@H]2CC[C@@H](CNC(=O)Nc3c(C)cnn3C)O2)n1
365621716	ZINC000623046686	ref	1.96	-44.73	-1	320.365	1.933	2	4	6	O=C(CSc1n[nH]c(=O)[n-]1)N[C@H](C(F)F)C1CCCCC1
365621724	ZINC000623046686	low	3.42	-11.03	0	320.365	1.933	3	4	6	O=C(CSc1n[nH]c(=O)[nH]1)N[C@H](C(F)F)C1CCCCC1
365621731	ZINC000623045433	ref	1.85	-16.6	0	312.382	1.256	2	3	7	CS(=O)(=O)NCCC(=O)N[C@@H](C(F)F)C1CCCCC1
365621740	ZINC000623046391	ref	4.48	-21.4	0	309.378	1.894	1	3	6	O=C(CS(=O)(=O)C1CC1)N[C@@H](C(F)F)C1CCCCC1
365621747	ZINC000623047046	ref	8.39	-18.1	0	314.389	1.874	0	4	5	Cc1ccccc1N(C)C(=O)CN(C)C(=O)[C@H](C)n1cccn1
342082205	ZINC000625331954	ref	2.8	-7.96	0	278.418	1.51	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCC[C@H]1C)OCC
365621753	ZINC000623047390	ref	9.1	-46.27	1	303.406	1.368	1	2	5	Cc1ccccc1N(C)C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1
365621761	ZINC000623047390	high	6.64	-13.18	0	303.406	1.368	0	3	5	Cc1ccccc1N(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1
282123671	ZINC000449156703	ref	1.75	-40.16	1	266.366	2.03	2	4	6	CS[C@H](CO)[C@@H](C)[NH2+]Cc1cc2cccnc2o1
365621766	ZINC000623045096	ref	2.06	-15.58	0	312.382	1.256	2	3	7	CCS(=O)(=O)NCC(=O)N[C@@H](C(F)F)C1CCCCC1
398246149	ZINC000036135858	high	0.38	-7.59	0	215.297	-0.437	2	3	4	CC(C)[C@@H](N)C(=O)N[C@@H](C)C(=O)N(C)C
342082206	ZINC000625331177	ref	0.73	-12.46	0	276.383	1.13	1	5	4	C[C@H]1C[C@H](S(=O)(=O)NCc2ccns2)CCO1
259308721	ZINC000306317745	ref	1.23	-45.08	-1	201.222	-0.262	2	4	2	O=C([O-])C(=O)N[C@@H]1CC[C@@H](CO)CC1
282123676	ZINC000449156703	high	1.9	-10.79	0	266.366	2.03	2	5	6	CS[C@H](CO)[C@@H](C)NCc1cc2cccnc2o1
342082207	ZINC000625332092	ref	1.42	-8.6	0	284.322	1.394	2	3	6	CCN(CC(=O)NCC(C)(C)C)C[C@H](O)C(F)(F)F
342082208	ZINC000625332092	low	3.79	-41.95	1	284.322	1.394	3	2	6	CC[N@@H+](CC(=O)NCC(C)(C)C)C[C@H](O)C(F)(F)F
342082209	ZINC000625332092	low	3.29	-41.89	1	284.322	1.394	3	2	6	CC[N@H+](CC(=O)NCC(C)(C)C)C[C@H](O)C(F)(F)F
342082210	ZINC000625331302	ref	3.35	-13.48	0	287.356	1.407	1	3	6	O=S(=O)(CCCF)NC[C@@H]1Cc2ccccc2CO1
210256561	ZINC000272862384	ref	2.68	-11.49	0	324.421	2.598	3	4	7	COCC[C@H](NC(=O)NC[C@@]1(C)CCCC[C@H]1O)c1ccco1
210256567	ZINC000272862759	ref	7.43	-8.3	0	317.412	2.395	0	5	5	CC(C)Cn1cc(CN2CCN(c3ncccc3F)CC2)cn1
210256573	ZINC000272862759	low	9.78	-39.54	1	317.412	2.395	1	4	5	CC(C)Cn1cc(C[NH+]2CCN(c3ncccc3F)CC2)cn1
210256577	ZINC000272863155	ref	6.15	-12.8	0	305.418	2.557	1	3	6	COc1cc(CC(=O)N2CCC(CCCO)CC2)ccc1C
365621678	ZINC000625029304	ref	7.37	-19.75	0	313.401	2.426	1	2	2	C[C@@H]1c2ccccc2CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
210256582	ZINC000272863681	ref	7.74	-12.99	0	306.406	2.979	1	3	8	C=CCN(CCc1ccco1)C(=O)NCC[C@H]1CCCCO1
342082211	ZINC000625331178	ref	1.05	-15.58	0	276.383	1.13	1	5	4	C[C@H]1C[C@@H](S(=O)(=O)NCc2ccns2)CCO1
214189609	ZINC000278492515	ref	1.68	-11.55	0	306.284	2.357	3	3	4	COc1cc(C)c(NC(=O)NC[C@H](O)C(F)(F)F)cc1C
210256590	ZINC000272863005	ref	6.5	-22.83	0	319.321	1.065	2	7	5	C[C@H](O)C(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1
214189612	ZINC000278493266	ref	9.88	-108.19	2	320.502	3.381	2	2	7	COc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)ccc1SC
282120129	ZINC000328941156	ref	4.79	-17.08	0	318.406	2.261	2	6	3	Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]c1scnc1C1CC1)CC2
210256593	ZINC000272862009	ref	6.55	-19.99	0	315.377	2.196	1	6	5	CC[C@@H]1C[C@@H](CC(=O)Nc2cccc(-n3cnnn3)c2)CCO1
210256598	ZINC000272862141	ref	4.64	-8.9	0	322.43	2.923	2	4	7	COC[C@H](CNC(=O)N[C@@H](C)c1cc2ccccc2s1)OC
342082212	ZINC000625331391	ref	4.03	-12.86	0	295.437	1.604	0	7	4	Cn1cc(CCN2CCSC[C@@H]2c2nccs2)nn1
365621688	ZINC000625028598	ref	7.25	-19.55	0	305.422	2.138	1	2	4	C=CC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
342082213	ZINC000625331391	low	5.99	-41.17	1	295.437	1.604	1	6	4	Cn1cc(CC[N@@H+]2CCSC[C@@H]2c2nccs2)nn1
136228534	ZINC000230376175	mid	-2.38	-18.47	0	229.28	-0.582	3	4	2	C[C@@]1(O)CCCN(CC(=O)NC(N)=O)CC1
185089854	ZINC000096076578	mid	5.79	-39.49	1	296.392	0.921	1	4	1	C[N@H+]1CCOC[C@@]2(CN(C(=O)c3cccs3)CCO2)C1
365621699	ZINC000625029302	ref	7.36	-19.83	0	313.401	2.426	1	2	2	C[C@H]1c2ccccc2CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
214189617	ZINC000278493823	ref	7.28	-9.65	0	307.35	1.572	1	5	5	C[C@H]1COCC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-]
210256601	ZINC000272862302	ref	7.36	-18.98	0	304.777	3.378	2	3	4	C[C@](O)(CC(=O)Nc1ccc2cccc(Cl)c2n1)C1CC1
210256606	ZINC000272862936	ref	4.66	-8.07	0	317.389	2.269	1	6	5	CCc1cc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)nc(C)n1
210256611	ZINC000272862936	low	5.04	-32.53	1	317.389	2.269	1	5	5	CCc1cc(N2CCOC[C@H]2C[C@@H](O)c2ccco2)nc(C)[nH+]1
210256613	ZINC000272862158	ref	0.82	-14.51	0	310.35	1.094	2	5	8	COc1ccc(C[C@H](C)C(=O)NCCOC(N)=O)cc1OC
214189610	ZINC000337634570	ref	0.12	-17.51	0	256.274	-0.208	1	3	5	CN(C)S(=O)(=O)CC(=O)NC1(C(F)F)CC1
365621682	ZINC000336542055	ref	6.36	-36.89	1	276.405	2.216	1	2	2	[NH3+]C[C@@H]1CCCN1C(=O)[C@H]1CCSc2ccccc21
342082214	ZINC000625331391	low	6.08	-41.81	1	295.437	1.604	1	6	4	Cn1cc(CC[N@H+]2CCSC[C@@H]2c2nccs2)nn1
210256617	ZINC000272863658	ref	6.96	-45.83	1	311.426	1.525	3	3	7	CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1
342082215	ZINC000625331190	ref	7.45	-7.87	0	267.369	1.481	0	4	7	CCO[C@H](CN1CCO[C@H](C(=O)C2CC2)C1)C1CC1
214189615	ZINC000337633785	ref	3.93	-13.76	0	258.268	2.295	2	2	4	O=C(N[C@@H]1CCCC[C@@H]1OC(F)F)c1cc[nH]c1
214189619	ZINC000337634138	ref	5.57	-20.54	0	299.461	2.193	1	3	8	C[C@@H](SCc1ccccc1)C(=O)NCCC[S@](C)=O
214189627	ZINC000337635323	ref	5.61	-10.54	0	283.356	3.263	1	4	4	O=C(CCc1ccccn1)Nc1ccc2scnc2c1
342082216	ZINC000625331190	mid	8.5	-43.41	1	267.369	1.481	1	3	7	CCO[C@H](C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)C1CC1
342082217	ZINC000625331190	mid	8.42	-38.55	1	267.369	1.481	1	3	7	CCO[C@H](C[N@H+]1CCO[C@H](C(=O)C2CC2)C1)C1CC1
342082218	ZINC000625331452	ref	5.36	-15.5	0	269.304	1.908	2	3	2	Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)[nH]cn1)CC2
214189631	ZINC000337633775	ref	3.5	-13.35	0	258.268	2.295	2	2	4	O=C(N[C@@H]1CCCC[C@H]1OC(F)F)c1cc[nH]c1
342082219	ZINC000625331452	high	4.21	-41.84	-1	269.304	1.908	1	3	2	Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(=O)[n-]cn1)CC2
342082220	ZINC000625331527	ref	2.45	-12.09	0	299.392	1.082	1	4	6	CO[C@@H](C)CS(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
365621692	ZINC000336542385	ref	5.53	-8.96	0	254.289	2.259	0	3	1	O=C(c1cccnc1)N1CCOCc2ccccc21
210256538	ZINC000000641308	ref	8.17	-10.61	0	359.809	3.447	1	4	3	O=C1c2ccccc2[C@@](O)(c2ccc(Cl)cc2)N1O[C@@H]1CCCCO1
365621702	ZINC000336542506	ref	4.92	-16.68	0	290.697	2.416	2	2	2	O=C(Nc1ccc(Cl)c(F)c1)N1C[C@H](F)C[C@H]1CO
214189636	ZINC000337636400	ref	6.25	-12.01	0	292.379	2.235	1	4	7	CCCCOCC(=O)N[C@H]1CCCO[C@H]1c1ccncc1
342082221	ZINC000625332158	ref	5.18	-40.81	1	253.342	1.378	1	3	4	O=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCOC1CCOCC1
365621683	ZINC000121832001	ref	9.25	-43.75	1	289.423	2.485	2	1	5	CCN(CC)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1
185089855	ZINC000096076578	high	3.46	-8.77	0	296.392	0.921	0	5	1	CN1CCOC[C@]2(C1)CN(C(=O)c1cccs1)CCO2
365621691	ZINC000121832001	mid	9.36	-42.53	1	289.423	2.485	2	1	5	CCN(CC)C(=O)NC[C@H](C)[N@H+]1CCc2ccccc2C1
365621697	ZINC000121832001	mid	7.17	-8.62	0	289.423	2.485	1	2	5	CCN(CC)C(=O)NC[C@H](C)N1CCc2ccccc2C1
365621708	ZINC000121833956	ref	7.2	-11.37	0	277.368	2.009	0	4	4	Cc1nn(C)c(C)c1C(=O)C(=O)N(C(C)C)C1CCC1
185089858	ZINC000096075909	ref	7.74	-47.22	1	283.375	2.478	2	1	2	CC[N@@H+]1CC[C@@]12CCN(C(=O)c1cc3ccccc3[nH]1)C2
185089859	ZINC000096075909	mid	7.76	-47.26	1	283.375	2.478	2	1	2	CC[N@H+]1CC[C@@]12CCN(C(=O)c1cc3ccccc3[nH]1)C2
214189616	ZINC000293642607	ref	2.56	-10.64	0	364.398	0.931	2	6	4	COCc1cc(NC(=O)C(=O)N2CCC[C@@](C)(O)C2)cc(C(=O)OC)c1
365621717	ZINC000121836567	ref	5.61	-8.41	0	298.427	2.404	1	3	6	CC[C@H]1CN(C(=O)NCC2(CCOC)CCCC2)CCO1
343994327	ZINC000599271414	ref	8.13	-9.51	0	285.384	1.992	0	4	9	CCC[C@@H](OCC)C(=O)N(C[C@H](C)C(=O)OC)C1CC1
282120133	ZINC000533444630	ref	3.32	-47.85	-1	289.383	1.239	2	2	3	C[N@@H+]1CCC[C@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1
185089861	ZINC000096075909	high	4.62	-8.55	0	283.375	2.478	1	2	2	CCN1CC[C@@]12CCN(C(=O)c1cc3ccccc3[nH]1)C2
349535654	ZINC000093293739	ref	5.05	-44.48	1	280.376	0.346	3	4	5	C[C@H]1CCC[N@H+](CCNC(=O)NCc2ncn(C)n2)C1
214189620	ZINC000293648804	ref	3.28	-14.68	0	358.391	0.82	1	5	4	COC(=O)c1cc(S(=O)(=O)N[C@@H]2CCC(=O)N(C)C2)c(F)cc1C
342082222	ZINC000625332158	mid	5.55	-41.19	1	253.342	1.378	1	3	4	O=C1C[C@@H]2CC[C@H](C1)[N@H+]2CCOC1CCOCC1
365621727	ZINC000121839792	ref	4.14	-10.76	0	260.268	2.159	1	3	4	COc1cc(C(=O)NCc2ccccn2)ccc1F
365621738	ZINC000121838650	ref	7.12	-13.84	0	282.343	2.428	1	3	7	O=C(COC/C=C/c1ccccc1)NCc1ccccn1
185089863	ZINC000096075918	ref	6.11	-52.83	1	285.351	1.04	1	4	2	CC[N@@H+]1CC[C@]12CCN(C(=O)c1cnn3cccnc13)C2
342082223	ZINC000625332158	high	3.29	-6.68	0	253.342	1.378	0	4	4	O=C1C[C@@H]2CC[C@H](C1)N2CCOC1CCOCC1
342082224	ZINC000625331549	ref	4.53	-29.88	1	269.433	1.125	1	3	7	CCN(CCN1CCOCC1)C[C@H]1CCC[N@@H+]1CC
342082225	ZINC000625331549	mid	3.32	-33.22	1	269.433	1.125	1	3	7	CCN(CCN1CCOCC1)C[C@H]1CCC[N@H+]1CC
214189618	ZINC000053603567	ref	4.55	-6.16	0	332.835	2.918	0	5	5	Clc1ccc(CN2CCN(Cc3noc(C4CC4)n3)CC2)cc1
398246151	ZINC000651452300	ref	9.35	-9.09	0	288.391	3.169	1	2	4	COc1ccccc1CN(C)C(=O)NC1CC2(CCC2)C1
365621704	ZINC000625027892	ref	7.65	-12.09	0	318.425	2.187	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@@H](C)[C@H](C)C1
398246156	ZINC000651447744	ref	9.85	-5.85	0	267.376	3.205	0	3	2	CCc1cc(N2CCc3ccccc3[C@@H](C)C2)ncn1
365621713	ZINC000625030255	ref	2.04	-10.45	0	313.41	2.138	2	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@H]1CCC[C@@H]1O
365621722	ZINC000625029626	ref	6.33	-14.5	0	305.403	2.11	0	4	3	Cc1ncc(S(=O)(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)n1C
365621728	ZINC000625029096	ref	5.06	-13.2	0	324.465	2.249	2	3	6	C[C@@H]1O[C@H](C)[C@H](C(=O)NCCNC(=O)CC2CCCCC2)[C@H]1C
342082226	ZINC000625331549	low	6.96	-91.85	2	269.433	1.125	2	2	7	CCN(CC[NH+]1CCOCC1)C[C@H]1CCC[N@@H+]1CC
398246160	ZINC000651448131	ref	7.97	-8.54	0	297.402	3.098	0	4	3	COCc1nc(C)cc(N2CCc3ccccc3[C@@H](C)C2)n1
365621737	ZINC000625028599	ref	7.28	-18.84	0	305.422	2.138	1	2	4	C=CC[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365621749	ZINC000625031880	ref	6.7	-19.34	0	307.438	2.362	1	2	4	CCC1(CC)CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365621762	ZINC000625029100	ref	5.13	-11.42	0	324.465	2.249	2	3	6	C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCNC(=O)CC2CCCCC2)[C@H]1C
214189621	ZINC000053603567	low	6.99	-43.34	1	332.835	2.918	1	4	5	Clc1ccc(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)cc1
214189624	ZINC000053604831	ref	4.04	-12.67	0	347.463	1.467	0	6	5	O=C(CN1CCN(Cc2noc(C3CC3)n2)CC1)N1CCCCCC1
365621771	ZINC000625027893	ref	6.39	-10.18	0	317.476	2.367	0	4	9	CCO[C@H](CS(=O)(=O)N(C)CCc1cccs1)C1CC1
365621790	ZINC000625030752	ref	7.61	-17.21	0	307.438	2.36	1	2	2	C[C@H]1CCC[C@@H](C)CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
365621799	ZINC000625030949	ref	6.64	-13.48	0	305.374	2.45	1	4	6	COc1cccc2c1OCC[C@H]2NC(=O)[C@H](C)OCC1CC1
365621808	ZINC000625029092	ref	5.05	-10.66	0	324.465	2.249	2	3	6	C[C@@H]1O[C@H](C)[C@@H](C(=O)NCCNC(=O)CC2CCCCC2)[C@@H]1C
398246162	ZINC000651447724	ref	9.27	-9.3	0	279.387	3.132	0	3	1	C[C@H]1CN(c2cc3c(nn2)CCC3)CCc2ccccc21
365621813	ZINC000625030086	ref	4.15	-10.7	0	321.389	2.098	1	3	8	CO[C@H](CNS(=O)(=O)CCc1c(F)cccc1F)C(C)C
365621821	ZINC000625029000	ref	7.44	-15.41	0	305.378	2.315	1	5	8	Cc1cncn1CC(=O)N[C@@H](COCC(C)C)c1ccco1
365621707	ZINC000274318362	low	3.23	-38.24	1	293.392	1.663	2	5	4	C[C@@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc2nsnc12
365621712	ZINC000274318362	low	3.18	-38.46	1	293.392	1.663	2	5	4	C[C@@H](O)C[C@H]1COCC[N@H+]1Cc1cccc2nsnc12
365621719	ZINC000274313931	ref	6.11	-60.06	1	297.362	1.297	2	3	2	O=C(c1cccc(-c2nc[nH]n2)c1)N1CC[C@@]2(CC[NH2+]C2)C1
365621726	ZINC000274313931	mid	6.43	-64.78	1	297.362	1.297	2	3	2	O=C(c1cccc(-c2nnc[nH]2)c1)N1CC[C@@]2(CC[NH2+]C2)C1
349535656	ZINC000594973603	mid	6.21	-9.26	0	292.285	2.987	1	4	6	C[C@@H](COc1c(F)cccc1F)NCc1ccc(C#N)o1
365621734	ZINC000274317647	ref	3.34	-14.38	0	290.348	1.617	1	6	5	CCC(=O)CNC(=O)c1sc(-c2ncccn2)nc1C
365621743	ZINC000274318095	ref	4.14	-16.22	0	291.376	1.902	2	3	4	CN(C)C(=O)NCCNC(=O)c1cccc2ccsc12
365621755	ZINC000274316115	ref	0.7	-8.15	0	291.33	1.23	0	6	4	Cc1nc(CN2CCN(Cc3cncc(F)c3)CC2)no1
365621776	ZINC000274316633	ref	5.49	-15.32	0	293.327	1.173	1	5	2	CCOC(=O)N1CCCN(C(=O)Nc2cncnc2)CC1
365621788	ZINC000274316870	ref	5.86	-17.0	0	276.34	1.452	1	4	3	CC(C)C(=O)N1CCCC[C@H]1C(=O)Nc1cncnc1
214189622	ZINC000278492428	ref	4.37	-6.9	0	318.398	2.381	2	4	2	C[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1csc2ccccc12
365621802	ZINC000274314803	ref	7.08	-44.62	1	291.37	1.959	2	2	5	O=C(NCC1CC1)[C@H]1CCC[N@@H+](Cc2cncc(F)c2)C1
398246152	ZINC000449203603	ref	3.04	-37.91	1	241.375	1.942	2	2	4	C[C@H]([NH2+]C[C@@]1(O)CCOC1)[C@H]1CCCC[C@H]1C
398246155	ZINC000650439126	ref	6.17	-13.64	0	237.328	2.431	1	3	2	CSc1cccnc1NC(=O)N1CCCC1
398246159	ZINC000036136128	ref	5.4	-39.39	1	245.326	1.497	1	2	2	O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]1c1cccnc1
342082227	ZINC000625331549	low	5.74	-86.84	2	269.433	1.125	2	2	7	CCN(CC[NH+]1CCOCC1)C[C@H]1CCC[N@H+]1CC
342082228	ZINC000608875914	ref	6.92	-15.28	0	274.32	1.861	1	4	5	COC(=O)CCCNC(=O)c1cccc2c1ccn2C
342082229	ZINC000625331917	ref	3.5	-11.95	0	263.403	1.911	1	3	9	CCC[C@H](CNS(=O)(=O)CC1CCC1)OCC
342082230	ZINC000625331773	ref	2.41	-8.82	0	297.362	1.527	2	5	4	CNc1cnc(C(=O)N[C@@H]2CCN(c3ccccc3)C2)cn1
342082231	ZINC000625332161	ref	2.13	-13.05	0	298.393	1.083	1	6	5	CN(C)c1ccc(S(=O)(=O)NCc2ccns2)cn1
342082232	ZINC000625332022	ref	1.91	-11.13	0	272.37	1.565	1	4	8	CCC[C@H](CNS(=O)(=O)c1cccnc1)OCC
342082233	ZINC000625331788	ref	4.36	-47.97	1	281.444	1.709	2	2	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H]1CCNC(=O)CC1
349535658	ZINC000093293739	mid	5.03	-45.0	1	280.376	0.346	3	4	5	C[C@H]1CCC[N@@H+](CCNC(=O)NCc2ncn(C)n2)C1
342082234	ZINC000625331788	mid	4.71	-48.04	1	281.444	1.709	2	2	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H]1CCNC(=O)CC1
342082235	ZINC000625331788	mid	6.69	-41.8	1	281.444	1.709	2	2	6	CCN(C[C@@H]1CCNC(=O)CC1)C[C@H]1CCC[N@@H+]1CC
342082236	ZINC000625331788	mid	5.62	-44.19	1	281.444	1.709	2	2	6	CCN(C[C@@H]1CCNC(=O)CC1)C[C@H]1CCC[N@H+]1CC
214189623	ZINC000293648804	high	3.1	-40.15	-1	358.391	0.82	0	5	4	COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCC(=O)N(C)C2)c(F)cc1C
342082237	ZINC000625331956	ref	2.97	-7.76	0	278.418	1.51	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCC[C@@H]1C)OCC
342082238	ZINC000625331993	ref	4.78	-37.77	1	295.349	1.327	2	2	5	C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](C)C(F)(F)F
342082239	ZINC000625331993	mid	2.41	-5.28	0	295.349	1.327	1	3	5	C[C@H](CN1CCN(C)CC1)NC(=O)C[C@@H](C)C(F)(F)F
398246161	ZINC000036135328	ref	5.61	-82.84	2	239.363	0.681	2	1	3	CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[NH2+]2)CC1
342082240	ZINC000625331993	mid	4.71	-41.88	1	295.349	1.327	2	2	5	C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H](C)C(F)(F)F
349535660	ZINC000093293739	high	2.81	-13.01	0	280.376	0.346	2	5	5	C[C@H]1CCCN(CCNC(=O)NCc2ncn(C)n2)C1
349535663	ZINC000093299987	ref	1.5	-6.93	0	292.335	0.863	2	4	2	COc1cccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)c1
349535669	ZINC000093299556	ref	1.18	-7.71	0	277.324	0.558	2	4	1	Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)cn1
214189626	ZINC000293642964	ref	1.97	-17.98	0	358.402	0.577	3	7	4	Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)c1
349535674	ZINC000093289670	ref	2.79	-9.59	0	254.355	0.737	1	4	4	CN(CCc1cccs1)C(=O)[C@@H]1COCCN1
214189630	ZINC000293641795	ref	3.09	-13.71	0	350.419	0.764	2	6	5	COCCCn1ccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)n1
349535677	ZINC000093289670	mid	4.04	-38.73	1	254.355	0.737	1	3	4	CN(CCc1cccs1)C(=O)[C@@H]1COCC[NH2+]1
349535685	ZINC000093295041	ref	-3.1	-16.51	0	295.32	0.56	2	5	4	Cc1ncoc1C(=O)NCc1cccc(S(N)(=O)=O)c1
349535689	ZINC000093301401	ref	2.29	-6.79	0	280.299	0.993	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@@H]1O
349535695	ZINC000093299195	ref	2.56	-8.17	0	294.355	0.461	2	5	3	CCCn1nccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](O)C1
349535701	ZINC000093300173	ref	2.45	-7.6	0	294.355	0.632	2	5	2	CC(C)n1nccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1
349535705	ZINC000093299197	ref	2.51	-7.46	0	294.355	0.461	2	5	3	CCCn1nccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](O)C1
282120136	ZINC000151583208	ref	3.26	-11.93	0	311.426	2.491	3	4	7	CC[C@H](C)[C@@](C)(O)CNC(=O)NC[C@@H](C)c1c(C)noc1C
197596379	ZINC000162856635	ref	3.19	-9.96	0	320.418	2.687	2	6	7	CCNc1ncc(C(=O)NCc2ccnc(OC(C)C)c2)s1
282120152	ZINC000151563109	ref	4.99	-11.68	0	323.82	2.349	2	3	5	O=C(NCC1(CO)CCOCC1)[C@@H]1C[C@H]1c1ccccc1Cl
365621710	ZINC000576535580	mid	9.0	-40.33	1	241.325	3.561	1	0	6	Cc1cccc(CC[C@@H](C)[NH2+]CC(C)(F)F)c1
342597953	ZINC000493119637	ref	5.41	-12.89	0	271.364	1.968	1	3	5	Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)CN(C)C)cc1
210256543	ZINC000000642643	ref	7.29	-16.6	0	360.381	2.081	1	9	3	COc1cccc(-n2nc3c(-n4ncc(C#N)c4N)nnc(C)c3c2C)c1
365621718	ZINC000175908142	ref	-0.78	-17.03	0	216.237	1.054	2	2	2	C[S@](=O)c1ccc(NC(N)=O)cc1F
214189625	ZINC000278493085	ref	4.12	-26.45	0	305.256	1.715	2	4	5	CCCNC(=O)NC(=O)COc1ccnc(C(F)(F)F)c1
197596383	ZINC000162862122	ref	7.69	-10.95	0	312.395	1.762	0	6	5	Cc1nn(CCC(=O)N(C)[C@@H]2CCSC2)c(C)c1[N+](=O)[O-]
342597954	ZINC000493119637	low	7.56	-52.25	1	271.364	1.968	2	2	5	Cc1ccc(/C=C\C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1
365621729	ZINC000576536012	ref	10.32	-35.15	1	241.378	3.351	1	0	3	CC1(C)CC[C@@H]1[NH2+]C[C@H]1[C@H]2c3ccccc3C[C@H]21
365621735	ZINC000576534295	ref	6.22	-10.51	0	246.31	1.927	1	3	4	COc1cc(C)cnc1C(=O)N[C@@H]1C[C@H]1C1CC1
342597955	ZINC000590809062	ref	5.42	-13.28	0	285.282	1.977	3	2	2	O=C(N=c1cc(C2CC2)[nH][nH]1)c1cc(F)cc2nc[nH]c12
365621744	ZINC000576581754	ref	-1.03	-50.17	1	243.351	-0.048	2	3	7	C[C@H]1COCCN1CCNC(=O)CCCC[NH3+]
210256548	ZINC000000645419	ref	10.04	-7.51	0	370.836	5.207	1	5	6	CCOC(=O)c1cnc2ccc(OCC)cc2c1Nc1cccc(Cl)c1
349535661	ZINC000258944954	mid	10.18	-39.44	0	239.359	2.753	1	2	6	C[N@@H+](CCC1CCCCC1)CC1(C(=O)[O-])CC1
282120159	ZINC000151579276	ref	5.32	-15.23	0	306.353	2.403	1	3	4	CN(CC(F)F)C(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C
365621756	ZINC000576581754	low	1.5	-91.66	2	243.351	-0.048	3	2	7	C[C@H]1COCC[N@@H+]1CCNC(=O)CCCC[NH3+]
178291525	ZINC000192709309	ref	4.46	-6.07	0	249.31	2.561	1	4	2	Cc1cc2c(cc1N[C@H]1CCOC[C@@H]1C)OCO2
342597956	ZINC000590809062	mid	5.4	-19.05	0	285.282	1.977	3	2	2	O=C(N=c1cc(C2CC2)[nH][nH]1)c1cc(F)cc2[nH]cnc12
342597957	ZINC000590809084	ref	6.32	-24.95	0	268.28	1.004	2	4	2	O=C(N=c1cc(C2CC2)[nH][nH]1)c1cn2cccnc2n1
342597958	ZINC000590809444	ref	6.73	-45.43	1	278.4	1.708	3	2	4	CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
398246165	ZINC000036135328	high	3.25	-36.54	1	239.363	0.681	1	2	3	CCN1CCC(N(C)C(=O)[C@H]2CCC[NH2+]2)CC1
398246168	ZINC000650439125	ref	4.5	-12.51	0	225.317	2.333	2	3	3	CSc1cccnc1NC(=O)NC(C)C
185089864	ZINC000096075918	mid	6.18	-52.57	1	285.351	1.04	1	4	2	CC[N@H+]1CC[C@]12CCN(C(=O)c1cnn3cccnc13)C2
282120137	ZINC000533444630	mid	5.26	-63.75	0	289.383	1.239	2	2	3	C[N@H+]1CCC[C@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1
398246170	ZINC000650439168	ref	3.7	-12.5	0	211.29	1.945	2	3	3	CCNC(=O)Nc1ncccc1SC
398246173	ZINC000650439444	ref	5.18	-19.99	0	249.301	2.543	1	2	7	CC(=O)C(C)(C)CCC(=O)NCCC(C)(F)F
398246175	ZINC000650439061	ref	5.21	-11.97	0	239.344	2.581	2	3	4	CSc1cccnc1NC(=O)NCC(C)C
398246179	ZINC000650439473	ref	5.18	-11.29	0	221.291	2.974	1	1	6	CCC(C)(CC)C(=O)NCCC(C)(F)F
365621714	ZINC000336542402	ref	5.61	-7.36	0	293.363	2.17	0	4	2	CCc1oc(C(=O)N2CCO[C@]3(CCO[C@H]3C)C2)cc1C
365621721	ZINC000336542144	ref	8.79	-39.11	1	250.386	2.285	1	1	3	C[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1
136228535	ZINC000283608250	ref	5.49	-11.45	0	234.303	1.64	1	3	3	C#CCN(C)C(=O)Nc1cn(C)nc1C(C)C
365621732	ZINC000336542329	ref	7.81	-35.02	1	264.413	2.413	1	1	3	CCC1CCC(N(C)C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1
365621741	ZINC000336542289	ref	3.34	-9.19	0	285.702	2.284	1	3	3	O=C(NC[C@@H]1CCCC1=O)c1cc(F)c([O-])c(Cl)c1
136228536	ZINC000283623504	ref	5.61	-12.33	0	231.299	1.447	1	2	1	CC#CC(=O)N1CCC[C@@H](c2cc(C)n[nH]2)C1
214189628	ZINC000278492084	ref	5.39	-45.95	1	315.816	2.79	2	2	7	OCC1(C[NH2+]CCCc2c(F)cccc2Cl)CCOCC1
185089866	ZINC000096075918	high	3.08	-20.27	0	285.351	1.04	0	5	2	CCN1CC[C@]12CCN(C(=O)c1cnn3cccnc13)C2
365621754	ZINC000336542289	low	3.34	-9.19	0	285.702	2.284	2	3	3	O=C(NC[C@@H]1CCCC1=O)c1cc(F)c(O)c(Cl)c1
214189632	ZINC000278493821	ref	7.71	-9.45	0	307.35	1.572	1	5	5	C[C@@H]1COCC[C@@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-]
185089868	ZINC000096076170	ref	5.91	-40.42	1	275.396	1.626	1	3	2	C[N@@H+]1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1
365621763	ZINC000336541798	ref	7.59	-18.96	0	293.432	2.161	0	2	3	CCc1ccc(CC(=O)N2CC[S@](=O)CC[C@@H]2C)cc1
342082241	ZINC000625331415	ref	2.72	-12.33	0	299.318	1.706	1	4	7	CCCCS(=O)(=O)NC[C@H](n1cccn1)C(F)(F)F
136228537	ZINC000283623504	mid	5.5	-13.66	0	231.299	1.447	1	2	1	CC#CC(=O)N1CCC[C@@H](c2cc(C)[nH]n2)C1
365621778	ZINC000336542244	ref	4.59	-10.78	0	276.361	2.265	0	3	2	C[C@H]1CCN(S(=O)(=O)c2cnc3ccccc3c2)C1
398246182	ZINC000650439439	ref	5.65	-11.34	0	235.318	3.364	1	1	7	CCC(CC)(CC)C(=O)NCCC(C)(F)F
398246166	ZINC000651448066	ref	9.78	-6.41	0	267.376	3.26	0	3	1	Cc1cc(N2CCc3ccccc3[C@H](C)C2)nc(C)n1
210256551	ZINC000000645419	low	10.45	-38.75	1	370.836	5.207	1	4	6	CCOC(=O)c1c[nH+]c2ccc(OCC)cc2c1Nc1cccc(Cl)c1
365621746	ZINC000617371677	ref	2.97	-12.74	0	281.356	0.9	1	5	5	COC[C@H](NC(=O)c1cn(C)nc1C)C1CCOCC1
210256556	ZINC000000645116	ref	4.82	-7.06	0	355.257	4.206	0	5	4	CC(C)(C)C(=O)CSc1nnc(-c2ccc(Br)cc2)o1
214189629	ZINC000053604831	low	6.19	-41.64	1	347.463	1.467	1	5	5	O=C(C[NH+]1CCN(Cc2noc(C3CC3)n2)CC1)N1CCCCCC1
214189633	ZINC000053607798	ref	7.56	-21.21	0	338.835	2.855	1	3	5	C[C@@H]1CCCC[C@@H]1N(C)C(=O)COc1ccc(Cl)cc1C(N)=O
365621758	ZINC000617372908	ref	4.18	-35.57	1	272.389	0.884	2	3	7	COC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCOCC1
214189637	ZINC000053608623	ref	0.41	-12.68	0	330.454	1.487	1	6	7	CCCS(=O)(=O)NC1CCN(Cc2noc(C(C)C)n2)CC1
365621789	ZINC000617372908	mid	4.17	-35.54	1	272.389	0.884	2	3	7	COC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1CCOCC1
398246169	ZINC000651448066	mid	10.18	-30.25	1	267.376	3.26	0	2	1	Cc1cc(N2CCc3ccccc3[C@H](C)C2)nc(C)[nH+]1
342597959	ZINC000590809444	mid	6.69	-46.88	1	278.4	1.708	3	2	4	CC[N@H+]1C[C@H](C)[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597960	ZINC000590809444	high	4.1	-15.44	0	278.4	1.708	2	3	4	CCN1C[C@H](C)[C@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
365621791	ZINC000617372908	high	1.96	-7.52	0	272.389	0.884	1	4	7	COC[C@@H](NC(=O)CN(C)C(C)C)C1CCOCC1
210256563	ZINC000000642106	ref	8.77	-57.57	-1	364.386	3.371	1	8	4	O=C([O-])c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O
342597961	ZINC000590813296	ref	4.14	-13.08	0	292.335	1.769	2	4	2	COC(=O)c1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1C
342597962	ZINC000590808015	ref	4.32	-10.92	0	298.383	1.275	2	4	3	COC(=O)C1(CNC(=O)N2CCC[C@@H](O)[C@@H]2C)CCCC1
259308724	ZINC000517750953	ref	8.85	-62.02	0	239.34	2.821	1	3	6	CCC[N@H+](Cc1csc(C(=O)[O-])c1)C1CC1
168365039	ZINC000211931389	ref	4.31	-42.3	1	175.231	2.323	1	1	2	C[C@@H]([NH3+])Cc1ccc2cocc2c1
342597963	ZINC000590807548	ref	3.68	-20.1	0	288.351	1.443	3	3	5	CNC(=O)C[C@@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1
197596394	ZINC000290103596	ref	12.29	-10.62	0	260.385	2.968	0	4	4	C=CCn1c(C2CC2)nnc1N1CCC[C@H](C)CC1
365621798	ZINC000617371622	ref	3.15	-10.83	0	257.33	0.747	1	4	8	C=CCOCC(=O)N[C@H](COC)C1CCOCC1
342597964	ZINC000590809443	ref	6.74	-47.23	1	278.4	1.708	3	2	4	CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342082242	ZINC000625331415	high	2.44	-40.12	-1	299.318	1.706	0	4	7	CCCCS(=O)(=O)[N-]C[C@H](n1cccn1)C(F)(F)F
342082243	ZINC000625332302	ref	2.28	-13.98	0	286.382	1.146	1	6	5	CCn1cc(S(=O)(=O)NCc2ccns2)nc1C
343994329	ZINC000139307524	low	4.22	-45.78	1	182.267	1.095	1	1	1	C[C@@H]1[NH2+][C@H](C)N(C2CCCC2)C1=O
361822841	ZINC000351630888	low	4.96	-43.72	1	283.416	1.753	3	2	8	C=CCCCCNC(=O)NCC[N@@H+]1CCOC(C)(C)C1
185089869	ZINC000096076170	mid	5.89	-37.39	1	275.396	1.626	1	3	2	C[N@H+]1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1
185089871	ZINC000096076170	mid	6.15	-35.31	1	275.396	1.626	1	3	2	CN1CCOC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)C1
343994332	ZINC000139317847	ref	3.87	-5.99	0	196.294	1.343	1	2	2	CC(C)[C@@H]1NCN(C2CCCC2)C1=O
343994335	ZINC000139317847	low	5.33	-47.49	1	196.294	1.343	1	1	2	CC(C)[C@@H]1[NH2+]CN(C2CCCC2)C1=O
346818908	ZINC000611565220	ref	1.88	-19.57	0	291.376	1.565	1	5	5	COc1nc(C)cc(NCc2ccc([S@](C)=O)cc2)n1
343994338	ZINC000139307418	ref	3.11	-6.1	0	182.267	1.095	1	2	1	C[C@H]1N[C@H](C)C(=O)N1C1CCCC1
342082244	ZINC000625332302	high	1.73	-50.82	-1	286.382	1.146	0	6	5	CCn1cc(S(=O)(=O)[N-]Cc2ccns2)nc1C
342082245	ZINC000625331414	ref	2.75	-12.36	0	299.318	1.706	1	4	7	CCCCS(=O)(=O)NC[C@@H](n1cccn1)C(F)(F)F
346818914	ZINC000611565526	ref	5.6	-50.59	1	263.341	1.402	3	2	6	CCC[N@H+](CC(=O)NC(N)=O)Cc1ccc(C)cc1
185089872	ZINC000096076170	mid	5.72	-35.85	1	275.396	1.626	1	3	2	CN1CCOC[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)C1
168365041	ZINC000044460695	ref	4.39	-48.26	1	186.258	2.125	1	1	2	C[C@@H]([NH3+])Cc1ccc2ncccc2c1
185089874	ZINC000096076170	low	7.56	-98.17	2	275.396	1.626	2	2	2	C[N@@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccn3)C2)C1
342082246	ZINC000625331414	high	2.43	-40.12	-1	299.318	1.706	0	4	7	CCCCS(=O)(=O)[N-]C[C@@H](n1cccn1)C(F)(F)F
185089875	ZINC000096076170	low	7.79	-94.76	2	275.396	1.626	2	2	2	C[N@H+]1CCOC[C@@]2(CCC[NH+](Cc3ccccn3)C2)C1
342082247	ZINC000625332177	ref	0.63	-12.8	0	289.407	1.695	1	6	4	Cc1nc(C)c(S(=O)(=O)NCc2ccns2)s1
342082248	ZINC000625332177	high	0.43	-40.71	-1	289.407	1.695	0	6	4	Cc1nc(C)c(S(=O)(=O)[N-]Cc2ccns2)s1
343994342	ZINC000139323867	ref	2.77	-6.29	0	155.241	1.703	1	1	2	CCC1(CC)CCC(=O)NC1
361822847	ZINC000351630888	low	4.97	-43.7	1	283.416	1.753	3	2	8	C=CCCCCNC(=O)NCC[N@H+]1CCOC(C)(C)C1
343994348	ZINC000139390196	ref	3.11	-8.86	0	163.22	1.277	1	1	3	CCc1ccccc1CC(N)=O
361822852	ZINC000351630152	ref	0.64	-9.54	0	256.346	1.039	3	3	7	C/C=C/C[C@H](CO)NC(=O)NCC[C@@H]1CCOC1
342597965	ZINC000590809443	mid	6.79	-47.69	1	278.4	1.708	3	2	4	CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
214189634	ZINC000278492890	ref	3.7	-16.19	0	303.286	1.525	1	6	9	COC[C@@H](C)OC[C@@H](O)COc1ccc([N+](=O)[O-])c(F)c1
342597966	ZINC000590809443	high	4.32	-14.98	0	278.4	1.708	2	3	4	CCN1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
214189638	ZINC000278493971	ref	3.41	-14.06	0	301.433	1.384	0	3	2	Cc1ccc(S(=O)(=O)N2CC[S@](=O)C[C@H](C)C2)cc1
398246174	ZINC000651452651	ref	7.66	-6.8	0	290.329	3.303	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@H](C(F)(F)F)C1
342597967	ZINC000590808032	ref	4.42	-10.73	0	296.367	1.366	2	4	5	COC(=O)C1(CNC(=O)NCC2=CCOCC2)CCCC1
137823083	ZINC000408015992	mid	6.23	-36.34	1	293.411	0.988	2	2	1	C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1
210256569	ZINC000000640974	ref	10.32	-9.74	0	370.836	4.011	1	3	4	CCOC(=O)C1=C(c2ccccc2)N(C)C(=O)N[C@H]1c1ccccc1Cl
342597968	ZINC000590809145	ref	3.06	-15.46	0	284.275	1.808	3	3	2	O=C(N=c1cc(C2CC2)[nH][nH]1)c1ccc2[nH]c(=O)oc2c1
214189641	ZINC000278493416	ref	3.59	-9.27	0	319.38	2.158	3	4	7	CCOC1CC(O)(CN[C@@H](c2ccc(F)cc2)c2ncc[nH]2)C1
210256578	ZINC000000644476	ref	10.62	-15.36	0	370.408	4.302	1	3	4	CCc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1
214189643	ZINC000278493416	mid	4.66	-47.65	1	319.38	2.158	3	3	7	CCOC1CC(O)(C[NH2+][C@@H](c2ccc(F)cc2)c2ncc[nH]2)C1
210256583	ZINC000000645447	ref	9.92	-7.48	0	370.836	5.126	1	5	5	CCOC(=O)c1cnc2ccc(Cl)cc2c1Nc1cc(C)ccc1OC
210256588	ZINC000000640965	ref	8.0	-5.61	0	350.032	5.944	2	1	2	O=C(Nc1cc(Cl)ccc1Cl)Nc1cccc(Cl)c1Cl
342597969	ZINC000590809101	ref	1.82	-17.71	0	276.321	1.7	3	4	4	NC(=O)c1csc(C(=O)Nc2cc(C3CC3)[nH]n2)c1
210256592	ZINC000000645141	ref	5.16	-13.81	0	359.838	4.511	1	5	6	O=C(CCSc1nnc(-c2ccccc2)o1)Nc1ccccc1Cl
210256597	ZINC000000643491	ref	6.37	-10.53	0	355.39	2.783	1	5	4	CC1(C(=O)NCc2ccc3c(c2)OCO3)COC(c2ccccc2)OC1
342597970	ZINC000194589804	ref	5.19	-16.47	0	279.365	1.377	0	5	6	COCC[S@@](=O)Cc1nnc(-c2ccccc2)n1C
210256236	ZINC000428330192	ref	-1.0	-13.28	0	349.412	0.771	3	5	3	CC1(C)[C@@H](O)C[C@H]1NC(=O)c1nccc2c(S(N)(=O)=O)cccc12
342597971	ZINC000590809380	ref	4.76	-15.36	0	273.34	1.241	2	3	3	Cc1nn(C)c(C)c1CC(=O)N=c1cc(C2CC2)[nH][nH]1
365621750	ZINC000121842862	ref	7.2	-13.28	0	282.343	2.428	1	3	7	O=C(COC/C=C/c1ccccc1)NCc1ccncc1
178291530	ZINC000236989188	ref	5.29	-49.73	1	350.438	1.615	3	2	6	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC[NH2+]CC1
365621774	ZINC000121832529	ref	6.56	-15.13	0	254.293	2.04	0	5	2	c1ccc2c(CN3CCn4cnnc4C3)coc2c1
214189635	ZINC000293638953	ref	2.89	-23.14	0	371.371	0.429	0	7	4	CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@H]1CCN(S(C)(=O)=O)C1
365621784	ZINC000121833479	ref	3.58	-9.65	0	293.411	2.229	2	4	5	Cc1c(C(=O)NCC2(CCO)CCC2)cnn1C(C)(C)C
365621794	ZINC000121840447	ref	2.66	-8.51	0	252.314	2.127	2	3	3	Cc1ccc([C@@H](C)NC(=O)N[C@]2(C)CCOC2)o1
365621809	ZINC000121832163	ref	6.58	-14.12	0	271.32	2.379	0	4	3	COc1cccnc1N(C)C(=O)c1ccc(C)nc1C
214189640	ZINC000293638605	ref	2.46	-11.42	0	363.386	0.748	0	6	5	COC(=O)c1cc(S(=O)(=O)N2CCN(CC(F)F)CC2)cnc1C
365621818	ZINC000121835131	ref	5.88	-32.8	1	288.395	2.291	1	4	7	C[C@@H](Cn1cccn1)[NH2+]C[C@@H](c1ccco1)N1CCCC1
349535662	ZINC000621244342	ref	5.04	-8.55	0	282.29	2.095	2	2	4	Cc1ccc(NC(=O)C(=O)NCC[C@H]2CC2(F)F)cc1
178291535	ZINC000236989188	high	3.99	-8.93	0	350.438	1.615	3	3	6	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCCNCC1
349535668	ZINC000621246992	ref	6.97	-47.12	1	275.396	2.271	2	2	5	CCCC(=O)NC1CC[NH+](Cc2ccnc(C)c2)CC1
349535672	ZINC000621246992	mid	4.62	-9.02	0	275.396	2.271	1	3	5	CCCC(=O)NC1CCN(Cc2ccnc(C)c2)CC1
178291537	ZINC000236999881	ref	5.65	-55.15	-1	363.233	1.562	1	5	6	CC[C@H](NC(=O)CN(C)C(=O)c1ccc(Br)s1)C(=O)[O-]
349535678	ZINC000621246083	ref	2.92	-91.19	2	266.389	2.048	2	3	6	CC(C)C[C@@H]([NH3+])c1noc(CC[C@@H]2CCC[NH2+]C2)n1
190491956	ZINC000269402478	ref	8.5	-8.53	0	272.392	3.298	0	2	3	Cc1cncc(/C=C/C(=O)N2CCC(C(C)C)CC2)c1
214189647	ZINC000293638632	ref	2.57	-15.31	0	353.444	0.927	1	6	8	Cc1c(S(=O)(=O)N(C)C[C@H](O)COCc2ccccc2)cnn1C
178291544	ZINC000236989384	ref	7.35	-39.91	1	360.502	1.845	2	3	5	CCn1c(C)cc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C
365621825	ZINC000121835131	high	4.74	-7.16	0	288.395	2.291	1	5	7	C[C@@H](Cn1cccn1)NC[C@@H](c1ccco1)N1CCCC1
349535683	ZINC000621246083	mid	2.62	-43.01	1	266.389	2.048	2	4	6	CC(C)C[C@@H](N)c1noc(CC[C@@H]2CCC[NH2+]C2)n1
365621832	ZINC000121840159	ref	6.51	-12.12	0	293.374	2.051	0	5	3	c1ccc(N2CCN(Cc3cnc4ccccn34)CC2)nc1
342597972	ZINC000364840771	ref	6.4	-36.31	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1
342597973	ZINC000364840771	mid	6.1	-36.7	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1
197596401	ZINC000290101132	ref	2.65	-9.16	0	290.697	2.946	3	2	5	C=C[C@@H](CO)NC(=O)Nc1cc(C(F)F)ccc1Cl
210256602	ZINC000000643492	ref	8.68	-18.7	0	360.413	3.554	2	3	6	COc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1
210256610	ZINC000000640901	ref	7.45	-9.25	0	350.212	4.685	1	3	3	COc1ccccc1NC(=O)Oc1cc(C)c(C)cc1Br
210256616	ZINC000000641631	ref	8.33	-7.58	0	364.195	4.155	1	4	3	COC(=O)c1ccc(OC(=O)Nc2ccc(C)cc2Br)cc1
365621751	ZINC000641590192	ref	2.84	-11.28	0	285.702	1.694	1	3	2	COc1cc(F)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(Cl)c1
342597974	ZINC000364840771	high	3.94	-7.63	0	280.412	1.768	0	3	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@@H]2CCN(C)[C@H]2C1
398246178	ZINC000651447576	ref	10.45	-9.45	0	298.415	3.265	0	5	1	Cc1cn2nc(N3CCc4ccccc4[C@@H](C)C3)sc2n1
398246183	ZINC000651448141	ref	10.3	-4.07	0	273.767	3.296	0	3	1	C[C@@H]1CN(c2ncc(Cl)cn2)CCc2ccccc21
210256621	ZINC000000646731	ref	5.15	-21.01	0	359.238	4.34	2	5	3	O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc([C@H]2CCCO2)s1
342597975	ZINC000590807549	ref	3.68	-20.71	0	288.351	1.443	3	3	5	CNC(=O)C[C@@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1
342597976	ZINC000590807795	ref	3.14	-12.94	0	288.351	1.443	3	3	5	CC[C@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(=O)NC
210256627	ZINC000000642845	ref	11.52	-10.13	0	371.439	4.48	0	7	3	COC(=O)c1cc2c3cc(C(=O)OC)sc3n(-c3ccccc3)c2s1
210256632	ZINC000000644995	ref	5.27	-16.69	0	367.43	3.443	2	4	5	Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccncc3)cc2)cc1
398246190	ZINC000651445968	ref	6.73	-9.05	0	289.766	3.002	1	3	1	C[C@@H]1CN(c2cn[nH]c(=O)c2Cl)CCc2ccccc21
197596408	ZINC000290102945	ref	7.76	-8.17	0	294.439	3.478	1	3	7	CCOCC(C)(C)CNC(=O)c1cc(C)n(C(C)C)c1C
342597977	ZINC000364840910	ref	6.87	-37.96	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1
342597978	ZINC000364840910	mid	7.19	-37.89	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1
342597979	ZINC000590807614	ref	6.15	-48.3	1	274.368	1.869	3	2	5	C[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)[NH+](C)C
342597980	ZINC000590807614	high	3.94	-11.24	0	274.368	1.869	2	3	5	C[C@@H](CNC(=O)N[C@H](C)c1cccc(C#N)c1)N(C)C
214189644	ZINC000053589274	ref	5.16	-53.19	1	325.455	2.363	1	4	8	CS(=O)(=O)c1cccc(OCC[NH2+]CCc2ccsc2)c1
214189650	ZINC000053600798	ref	5.8	-14.26	0	340.358	2.178	2	5	5	Cc1nc(C(=O)NC[C@@H](O)c2ccccc2)nn1-c1ccc(F)cc1
178291548	ZINC000237001149	ref	2.82	-57.0	1	367.496	1.566	3	4	9	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)NCc2cccs2)c1
178291553	ZINC000237001217	ref	9.25	-77.1	-1	361.373	1.909	1	6	6	CC[C@H](C)[C@H](NC(=O)c1nn(-c2ccccc2F)c(C)cc1=O)C(=O)[O-]
343994331	ZINC000599272067	ref	3.72	-8.26	0	298.364	1.565	0	6	6	COC(=O)[C@H](C)CN(C(=O)c1cc(OC)ns1)C1CC1
343994340	ZINC000599271250	ref	4.76	-44.68	1	296.411	1.559	2	4	6	C[N@@H+](C[C@@H]1CCCCO1)C[C@H](O)CC1(C#N)CCOCC1
178291557	ZINC000236991597	ref	5.61	-60.29	1	367.457	1.545	2	6	6	CCn1c(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)nc2ccccc21
178291564	ZINC000236986075	ref	4.76	-53.35	1	367.515	1.836	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H](C[NH3+])C2)c1
178291571	ZINC000236985842	ref	4.7	-47.43	1	367.515	1.979	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@H]2C[NH3+])c1
178291575	ZINC000236995146	ref	4.28	-53.13	1	353.488	1.447	2	3	7	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)cc1
178291581	ZINC000236989350	ref	7.34	-40.13	1	360.502	1.845	2	3	5	CCn1c(C)cc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C
168365042	ZINC000302794730	ref	5.96	-7.44	0	207.321	2.942	1	3	5	CCC(CC)CNc1cc(C)c(C)nn1
282120139	ZINC000248950949	ref	3.22	-13.12	0	314.385	1.86	2	4	4	C[C@@H]1CN(CC(=O)Nc2cccc3ccccc23)C[C@@H](CO)O1
282120142	ZINC000248951985	ref	1.88	-8.9	0	315.797	1.939	1	5	5	COc1cc(CN2C[C@@H](CO)O[C@H](C)C2)cc(Cl)c1OC
178291585	ZINC000236997155	ref	4.73	-60.54	1	367.515	1.964	2	3	10	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1
365621757	ZINC000641589777	ref	5.56	-40.65	1	274.364	1.1	2	2	4	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)[N@H+](C)Cc1ccccc1
365621760	ZINC000641589777	mid	5.54	-41.81	1	274.364	1.1	2	2	4	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)[N@@H+](C)Cc1ccccc1
178291592	ZINC000236997633	ref	3.23	-56.11	1	353.488	1.461	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1
365621764	ZINC000641589777	mid	3.32	-11.32	0	274.364	1.1	1	3	4	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)N(C)Cc1ccccc1
365621768	ZINC000641590155	ref	1.72	-11.46	0	284.315	1.45	1	4	2	COc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c2ccccc2n1
342082249	ZINC000625332274	ref	7.57	-41.64	1	298.39	1.879	1	4	3	Cn1cc(CC[N@@H+]2CCC[C@@]3(C2)OCc2ccccc23)nn1
343994334	ZINC000625559364	ref	1.66	-9.94	0	233.333	1.051	1	3	6	C/C=C\CNS(=O)(=O)CC[C@H]1CCCO1
349535665	ZINC000258951271	ref	6.31	-34.59	1	235.371	2.658	2	1	6	Cc1ccc(C)c(C[NH2+]C[C@H](CO)C(C)C)c1
349535671	ZINC000258931700	ref	6.73	-9.18	0	241.237	2.297	0	2	4	CC(=O)CCC(=O)N(C)c1ccc(F)c(F)c1
349535675	ZINC000258937831	ref	6.65	-66.79	1	210.227	2.011	1	1	5	N#CCC[NH2+]CCc1ccc(F)c(F)c1
361822843	ZINC000035780106	ref	4.96	-8.73	0	259.309	2.286	1	5	4	CCn1cc(NCc2ccc3c(c2)OCCO3)cn1
361822858	ZINC000035782401	ref	3.7	-9.75	0	268.744	2.172	1	3	1	C[C@H]1CO[C@H](C)CN1C(=O)c1ccc(N)cc1Cl
190491961	ZINC000269407146	ref	7.85	-16.98	0	299.374	3.077	1	4	4	CC[C@@H]1CC[C@H](C(=O)Nc2cnn(-c3ccccc3)c2C)O1
342082250	ZINC000625332274	mid	7.92	-41.76	1	298.39	1.879	1	4	3	Cn1cc(CC[N@H+]2CCC[C@@]3(C2)OCc2ccccc23)nn1
361822869	ZINC000035891343	ref	9.18	-51.17	-1	273.332	2.113	0	3	3	O=C([O-])[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)C2CC2)C1
361822874	ZINC000035973245	ref	6.48	-47.82	1	296.374	2.478	3	2	4	O=C(Nc1cccnc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1
361822881	ZINC000035973245	mid	6.62	-49.02	1	296.374	2.478	3	2	4	O=C(Nc1cccnc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1
361822886	ZINC000035973245	high	4.17	-9.93	0	296.374	2.478	2	3	4	O=C(Nc1cccnc1)N[C@H]1CCN(Cc2ccccc2)C1
361822893	ZINC000035897998	ref	6.83	-44.8	1	296.436	2.02	0	3	4	CCCN1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
361822902	ZINC000035897998	low	6.83	-44.8	1	296.436	2.02	1	2	4	CCC[NH+]1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
361822909	ZINC000035837880	ref	4.37	-4.9	0	265.11	2.321	1	3	2	O[C@H](c1ccccc1)c1ncncc1Br
361822916	ZINC000035781483	ref	6.44	-10.23	0	257.253	2.426	1	6	4	CCn1cc(Nc2ccc([N+](=O)[O-])cc2C#N)cn1
361822930	ZINC000035785982	ref	3.79	-10.37	0	269.256	2.413	1	4	1	O=C1COc2ccc(-c3ccc4c(c3)OCO4)cc2N1
361822942	ZINC000035792855	ref	3.35	-9.38	0	264.369	2.246	2	2	7	CC(C)COc1ccc([C@@H](C)[NH2+][C@H](C)C(N)=O)cc1
361822949	ZINC000035792855	high	3.35	-9.38	0	264.369	2.246	2	3	7	CC(C)COc1ccc([C@@H](C)N[C@H](C)C(N)=O)cc1
361822957	ZINC000035784615	ref	5.32	-7.5	0	260.337	2.046	0	4	4	C[C@H]1CN(CCOc2cccc(C#N)c2)[C@H](C)CO1
361822965	ZINC000035784615	mid	7.08	-41.82	1	260.337	2.046	1	3	4	C[C@H]1C[N@H+](CCOc2cccc(C#N)c2)[C@H](C)CO1
365621759	ZINC000576581754	low	1.33	-92.64	2	243.351	-0.048	3	2	7	C[C@H]1COCC[N@H+]1CCNC(=O)CCCC[NH3+]
365621765	ZINC000576536773	ref	3.59	-7.75	0	248.286	0.588	0	6	3	COC[C@H]1CN(c2cc(C#N)ncn2)C[C@@H](C)O1
365621779	ZINC000576538347	ref	5.62	-9.07	0	246.314	1.343	1	3	1	C[C@H]1CC[C@@H]1NC(=O)N1CCc2cncnc2C1
432002765	ZINC000103085136	ref	8.49	-17.24	0	302.418	3.087	1	2	7	CCCN(CCC)C(=O)c1cccc(C(=O)N[C@@H]2C[C@@H]2C)c1
365621787	ZINC000576538597	ref	2.34	-8.79	0	239.344	1.732	1	4	3	Cc1csc(NC(=O)CN2CC(C)(C)C2)n1
214189645	ZINC000337634948	ref	7.63	-17.15	0	299.374	2.216	0	4	4	C[C@@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)n1cccn1
342597981	ZINC000590808896	ref	4.93	-43.73	0	285.303	1.329	2	3	3	CN(C)C(=O)c1cccc(C(=O)Nc2c[nH]ccc2=O)c1
342597982	ZINC000590809445	ref	6.38	-47.38	1	278.4	1.708	3	2	4	CC[N@@H+]1C[C@H](C)[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
365621792	ZINC000576537133	ref	5.22	-9.37	0	238.306	2.663	1	2	6	CC[C@@H](C)CCC(=O)NCc1ncccc1F
365621804	ZINC000343706741	ref	4.38	-45.55	1	214.334	1.09	2	3	5	N#CCCCC[N@H+]1CCSC[C@@H]1CO
365621816	ZINC000343706741	mid	4.32	-46.69	1	214.334	1.09	2	3	5	N#CCCCC[N@@H+]1CCSC[C@@H]1CO
214189649	ZINC000337634011	ref	8.16	-8.84	0	283.253	3.171	2	2	3	C[C@@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)c1ccccc1
365621820	ZINC000343706741	high	2.3	-9.82	0	214.334	1.09	1	4	5	N#CCCCCN1CCSC[C@@H]1CO
214189652	ZINC000337634011	mid	8.08	-8.08	0	283.253	3.171	2	2	3	C[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1
185089877	ZINC000096076170	low	7.84	-101.47	2	275.396	1.626	2	2	2	C[NH+]1CCOC[C@@]2(CCC[N@H+](Cc3ccccn3)C2)C1
365621830	ZINC000175898389	ref	3.9	-20.03	0	217.253	1.406	1	4	2	N#Cc1csc(C(=O)NC2(C#N)CC2)c1
342597983	ZINC000590809445	mid	6.24	-45.95	1	278.4	1.708	3	2	4	CC[N@H+]1C[C@H](C)[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
342597984	ZINC000590809445	high	3.93	-14.68	0	278.4	1.708	2	3	4	CCN1C[C@H](C)[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
185089879	ZINC000096076170	low	7.57	-98.2	2	275.396	1.626	2	2	2	C[NH+]1CCOC[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)C1
365621845	ZINC000576534200	ref	5.22	-14.2	0	230.271	1.815	2	3	3	Cc1cccnc1NC(=O)NCC1(C#N)CC1
214189654	ZINC000337635820	ref	0.36	-19.85	0	286.357	-0.143	3	4	5	CS(=O)(=O)NC[C@@H]1CCC[C@@H]1NC(=O)c1cnc[nH]1
365621853	ZINC000343691222	ref	2.21	-35.46	1	215.337	1.096	3	2	3	CC[C@@H]1C[N@H+](C[C@@H](O)C(C)(C)C)C[C@H]1O
342597985	ZINC000590808163	ref	4.6	-9.49	0	278.299	1.674	2	3	5	COC(=O)C1(CNC(=O)NCC(C)(F)F)CCCC1
342597986	ZINC000590808026	ref	4.94	-9.47	0	298.383	1.586	2	4	4	COC(=O)C1(CNC(=O)N[C@@H]2CCOC2(C)C)CCCC1
342082251	ZINC000625332274	high	5.62	-12.63	0	298.39	1.879	0	5	3	Cn1cc(CCN2CCC[C@@]3(C2)OCc2ccccc23)nn1
210256550	ZINC000019522476	ref	7.87	-17.19	0	383.448	2.4	1	5	5	CCc1cc(=O)[nH]c([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1
342082252	ZINC000625331771	ref	5.5	-45.74	1	265.405	1.604	1	4	7	CCN(Cc1cnnn1CC)C[C@@H]1CCC[N@@H+]1CC
365621769	ZINC000354681001	ref	5.25	-12.38	0	266.345	1.113	0	5	6	CCO[C@@H](CC(=O)N1CC(n2ccnn2)C1)C(C)C
365621796	ZINC000354680759	ref	2.66	-10.5	0	297.321	1.931	3	2	5	CC[C@H](CC(F)(F)F)NC(=O)NCC(=O)NC(C)(C)C
365621810	ZINC000354681506	ref	3.92	-19.66	0	291.825	1.971	1	3	4	O=C(CCc1cc(Cl)cs1)N[C@@H]1CC[S@@](=O)C1
365621824	ZINC000354681486	ref	5.91	-16.0	0	284.363	1.818	2	3	5	Cn1ccc(CCNC(=O)N[C@@H]2C[C@H]2c2ccccc2)n1
365621839	ZINC000354680026	ref	4.43	-12.61	0	293.392	1.504	1	4	6	CCc1ccc(S(=O)(=O)NCCc2ccn(C)n2)cc1
210256557	ZINC000019522476	high	6.79	-53.85	-1	383.448	2.4	0	5	5	CCc1cc(=O)[n-]c([C@@H]2CCCN(C(=O)CCc3ccc4c(c3)OCO4)C2)n1
365621852	ZINC000354680449	ref	1.47	-12.73	0	281.352	1.747	3	4	8	CC[C@H](O)CCCNC(=O)[C@H](OC)c1ccc(O)cc1
342082253	ZINC000625331771	mid	5.43	-41.05	1	265.405	1.604	1	4	7	CCN(Cc1cnnn1CC)C[C@@H]1CCC[N@H+]1CC
365621862	ZINC000354679736	ref	3.08	-12.3	0	261.362	1.047	1	4	10	CCCC(=O)N(C)C[C@@H](O)COCCOC(C)C
365621876	ZINC000354680269	ref	4.16	-10.74	0	287.319	1.432	1	5	7	COCCOc1cccc(CNC(=O)c2cncnc2)c1
365621897	ZINC000354679494	ref	3.72	-11.85	0	282.34	1.283	1	4	8	CC(C)OCCCN(C)C(=O)CNC(=O)c1ccco1
210256564	ZINC000019523155	ref	7.79	-19.02	0	397.479	1.895	1	7	6	CCc1nc(C)cc(N2CCN(CC(=O)Nc3cccc(C(=O)OC)c3)CC2)n1
342082254	ZINC000625331935	ref	3.09	-8.82	0	278.418	1.512	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCCCC1)OCC
214189646	ZINC000278492155	ref	4.64	-43.27	1	307.434	2.887	2	3	10	CCCCCOc1ccc(C[NH2+][C@@]2(CCO)CCOC2)cc1
210256570	ZINC000019523155	mid	8.31	-38.23	1	397.479	1.895	1	6	6	CCc1nc(N2CCN(CC(=O)Nc3cccc(C(=O)OC)c3)CC2)cc(C)[nH+]1
210256238	ZINC000428371002	ref	5.54	-18.94	0	342.403	0.804	1	5	4	C[C@H](Cc1ccncc1)NC(=O)N1CCN(c2cnn(C)c2)C(=O)C1
259308726	ZINC000517750953	mid	8.83	-60.95	0	239.34	2.821	1	3	6	CCC[N@@H+](Cc1csc(C(=O)[O-])c1)C1CC1
365621916	ZINC000354679185	ref	5.64	-41.08	1	288.391	1.363	3	2	5	C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2C[C@H]2c2ccccc2)C1
398246181	ZINC000645406942	low	6.77	-116.46	2	238.375	1.628	2	1	4	CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](CC2CC2)C1
219048461	ZINC000097696305	ref	6.94	-12.38	0	326.396	2.656	0	4	6	COc1ccc(CN(Cc2ccccn2)C(=O)[C@@H]2CCOC2)cc1
342082255	ZINC000625331344	ref	5.15	-31.65	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCC[N@@H+]1CC
398246184	ZINC000645406942	low	6.93	-117.36	2	238.375	1.628	2	1	4	CC1(C)OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1
214189648	ZINC000278492155	high	3.84	-5.53	0	307.434	2.887	2	4	10	CCCCCOc1ccc(CN[C@@]2(CCO)CCOC2)cc1
178291552	ZINC000013798325	ref	7.03	-9.15	0	224.263	3.04	1	3	1	Cc1cc2c(cc1O)ncn2-c1ccccc1
219048463	ZINC000097695273	ref	5.58	-11.65	0	342.428	3.013	2	6	4	Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(C3CC3)cs2)n[nH]1
432002767	ZINC000129207364	ref	5.23	-15.07	0	324.714	3.441	0	3	1	C[C@H]1CN(C(=O)c2ccc(F)c(Cl)c2F)c2cccnc2O1
219048465	ZINC000097695273	mid	5.55	-11.42	0	342.428	3.013	2	6	4	Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2nc(C3CC3)cs2)[nH]n1
178291558	ZINC000013798325	low	7.5	-31.53	1	224.263	3.04	1	2	1	Cc1cc2c(cc1O)[nH+]cn2-c1ccccc1
219048468	ZINC000097696166	ref	11.24	-46.03	1	347.466	3.863	2	3	4	Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@H](c3ccncn3)C2)c1
219048470	ZINC000097696166	mid	10.44	-41.02	1	347.466	3.863	2	3	4	Cc1ccc(C)c(-c2n[nH]cc2C[N@H+]2CCC[C@H](c3ccncn3)C2)c1
219048473	ZINC000097696166	high	9.75	-10.1	0	347.466	3.863	1	4	4	Cc1ccc(C)c(-c2n[nH]cc2CN2CCC[C@H](c3ccncn3)C2)c1
219048476	ZINC000097696325	ref	3.25	-20.08	0	325.372	0.6	2	5	3	N#Cc1cccc(C(=O)N2CCN(Cc3c[nH]cn3)C[C@@H](O)C2)c1
214189651	ZINC000278493691	ref	5.26	-11.77	0	321.384	3.234	1	6	5	c1ccc(-n2nc(CNc3nnc(C4CC4)o3)c3c2CCC3)cc1
342082256	ZINC000625331344	mid	4.0	-38.02	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCC[N@H+]1CC
342082257	ZINC000625331344	high	3.15	-7.09	0	297.443	1.088	1	4	8	CCN(CC(=O)NC[C@@H]1CCCO1)C[C@H]1CCCN1CC
342082258	ZINC000625331992	ref	2.24	-8.79	0	281.418	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)CCOC(C)C)OCC
342082259	ZINC000625331947	ref	0.61	-10.17	0	252.38	1.024	2	3	9	CCC[C@H](CNS(=O)(=O)NC(C)C)OCC
342082260	ZINC000625331998	ref	4.81	-38.19	1	295.349	1.327	2	2	5	C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](C)C(F)(F)F
342082261	ZINC000625331998	mid	2.43	-5.58	0	295.349	1.327	1	3	5	C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@H](C)C(F)(F)F
365621770	ZINC000641590211	ref	1.93	-14.54	0	254.236	1.226	1	3	2	O=C(c1ccc(C(F)F)nc1)N1C[C@H]2C[C@@]2(O)C1
342082262	ZINC000625331998	mid	4.81	-41.93	1	295.349	1.327	2	2	5	C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H](C)C(F)(F)F
342082263	ZINC000625331881	ref	4.35	-7.64	0	292.445	1.758	1	3	11	CCC[C@@H](CNS(=O)(=O)N(CC)CC1CC1)OCC
365621772	ZINC000641590067	ref	1.34	-13.48	0	294.376	1.162	1	5	2	Cc1nc([C@@H]2CCOC2)sc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365621773	ZINC000641589979	ref	1.63	-12.91	0	253.323	1.101	1	4	3	COCc1sccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
342082264	ZINC000625331460	ref	3.93	-11.15	0	294.156	1.451	0	5	2	Brc1cnccc1CN1CCn2ncnc2C1
365621775	ZINC000641590039	ref	1.48	-12.25	0	253.323	1.101	1	4	3	COCc1csc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365621777	ZINC000641590289	ref	2.22	-14.79	0	257.293	1.078	2	3	1	Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c2[nH]ncc2c1
365621785	ZINC000641590289	mid	2.25	-22.08	0	257.293	1.078	2	3	1	Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c2n[nH]cc2c1
342082265	ZINC000625331460	low	6.91	-51.36	1	294.156	1.451	1	4	2	Brc1cnccc1C[N@@H+]1CCn2ncnc2C1
342082266	ZINC000625331460	low	6.94	-51.25	1	294.156	1.451	1	4	2	Brc1cnccc1C[N@H+]1CCn2ncnc2C1
365638777	ZINC000625084585	ref	5.31	-9.77	0	322.371	2.431	0	3	5	CCCN(CC(F)(F)F)C(=O)CN1CCO[C@@H]2CCCC[C@H]21
214189653	ZINC000293640460	ref	1.45	-21.6	0	359.395	0.969	0	5	2	C[C@H]1[C@@H](C)N(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC[S@]1=O
365638783	ZINC000625086981	ref	6.37	-40.32	1	304.434	2.143	3	2	6	CCNC(=O)C[N@H+](C)CC1(O)CCC(c2ccccc2)CC1
282120141	ZINC000533444630	low	5.17	-45.19	1	289.383	1.239	3	2	3	C[N@@H+]1CCC[C@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1
282120144	ZINC000533444630	low	4.73	-45.85	1	289.383	1.239	3	2	3	C[N@H+]1CCC[C@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1
365638785	ZINC000625086981	mid	6.38	-40.28	1	304.434	2.143	3	2	6	CCNC(=O)C[N@@H+](C)CC1(O)CCC(c2ccccc2)CC1
365638788	ZINC000625086981	mid	4.68	-10.44	0	304.434	2.143	2	3	6	CCNC(=O)CN(C)CC1(O)CCC(c2ccccc2)CC1
365638792	ZINC000625086103	ref	7.72	-40.34	1	323.403	2.061	1	2	7	CCCN(CC(F)(F)F)C(=O)CN1CCC(C[NH+](C)C)CC1
259308727	ZINC000517750953	high	6.77	-48.1	-1	239.34	2.821	0	4	6	CCCN(Cc1csc(C(=O)[O-])c1)C1CC1
342082267	ZINC000625331781	ref	5.89	-40.06	1	250.39	1.726	1	3	6	CCN(Cc1ccnn1C)C[C@@H]1CCC[N@@H+]1CC
342082268	ZINC000625331781	mid	5.82	-36.72	1	250.39	1.726	1	3	6	CCN(Cc1ccnn1C)C[C@@H]1CCC[N@H+]1CC
210256574	ZINC000019524781	ref	11.1	-12.39	0	376.5	4.022	1	3	4	CCn1cc(CC(=O)N2CCC(O)(c3ccccc3C)CC2)c2ccccc21
210256580	ZINC000019524186	ref	9.18	-18.64	0	388.475	3.656	1	5	3	CCn1c(C)nc2cc(C(=O)N3CCC(c4cc5nccnc5[nH]4)CC3)ccc21
214189655	ZINC000293645292	ref	4.5	-46.71	1	351.422	0.398	3	3	7	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CNC(=O)Cc1cccc(F)c1
342597987	ZINC000364841040	ref	2.58	-11.47	0	296.411	1.148	0	4	6	C=C[C@](C)(CCOC)C(=O)N1CCN([C@@H]2CCOC2)CC1
210256586	ZINC000019526934	ref	7.05	-18.94	0	399.495	1.303	0	5	3	CCN1C[C@H](C(=O)N2CCCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O
214189660	ZINC000293645292	mid	4.73	-46.01	1	351.422	0.398	3	3	7	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CNC(=O)Cc1cccc(F)c1
342597988	ZINC000364841040	low	4.96	-46.85	1	296.411	1.148	1	3	6	C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1
210256591	ZINC000019524104	ref	8.88	-12.17	0	393.491	3.043	1	6	6	CCn1nc2c(c1C(=O)N[C@H](c1cccc(OC)c1)c1nccn1C)CCCC2
365621780	ZINC000623049074	ref	2.27	-13.59	0	324.381	1.417	1	6	3	Cc1noc([C@H]2CC[C@@H](CNC(=O)N3C[C@H](C)O[C@@H](C)C3)O2)n1
342597989	ZINC000590808141	ref	5.22	-12.19	0	274.336	1.767	2	3	6	COC(=O)C1(CNC(=O)NCC[C@H](C)F)CCCC1
365621786	ZINC000623046317	ref	2.97	-17.3	0	312.382	1.208	1	3	6	CN(C)S(=O)(=O)CC(=O)N[C@H](C(F)F)C1CCCCC1
342597990	ZINC000364840917	ref	7.17	-37.62	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1
210256596	ZINC000019524104	low	10.09	-34.98	1	393.491	3.043	1	5	6	CCn1nc2c(c1C(=O)N[C@H](c1cccc(OC)c1)c1[nH+]ccn1C)CCCC2
210256603	ZINC000019524485	ref	11.1	-17.15	0	397.454	3.6	1	6	6	CCn1cc(CCC(=O)N2CCc3onc(Nc4ccccc4F)c3C2)c(C)n1
210256608	ZINC000019526854	ref	9.2	-47.88	1	398.511	1.177	1	5	6	CCN1C[C@H](C(=O)N2CC[C@H](c3nn(CC[NH+](C)C)c4ncccc34)C2)CC1=O
282120146	ZINC000272913727	ref	8.14	-13.07	0	298.394	1.991	1	6	2	Cc1nc2c(c(N[C@H]3CCc4nc(C)nn4C3)n1)CCCC2
282120155	ZINC000272913727	low	8.54	-35.24	1	298.394	1.991	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1nc(C)[nH+]c3c1CCCC3)CC2
282120161	ZINC000292646282	ref	7.26	-11.3	0	302.769	2.242	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1nc(C)c(C#N)cc1Cl)CC2
342597991	ZINC000364840917	mid	6.87	-37.91	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1
398246185	ZINC000650439331	ref	4.11	-11.21	0	239.294	2.423	2	2	4	CCCNC(=O)Nc1cc(F)cc(N(C)C)c1
398246189	ZINC000076747740	ref	4.73	-5.07	0	215.247	2.12	0	3	5	CN(Cc1nccn1C(F)F)CC1CC1
398246192	ZINC000076747740	mid	6.95	-37.37	1	215.247	2.12	1	2	5	C[N@@H+](Cc1nccn1C(F)F)CC1CC1
349535666	ZINC000594970665	ref	8.91	-54.82	1	252.317	2.969	1	2	3	C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc(C#N)o1
398246193	ZINC000076747740	mid	7.12	-34.21	1	215.247	2.12	1	2	5	C[N@H+](Cc1nccn1C(F)F)CC1CC1
342082269	ZINC000625331176	ref	0.79	-15.38	0	276.383	1.13	1	5	4	C[C@@H]1C[C@@H](S(=O)(=O)NCc2ccns2)CCO1
349535667	ZINC000594970665	high	7.92	-6.21	0	252.317	2.969	1	3	3	C[C@H]1c2ccccc2C[C@H]1NCc1ccc(C#N)o1
349535673	ZINC000594970135	ref	8.14	-49.49	1	266.348	2.624	1	3	6	C=CCC[NH2+]Cc1cn(C)nc1-c1ccc(C#N)cc1
342082270	ZINC000625331346	ref	4.4	-38.88	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCC[N@@H+]1CC
365621781	ZINC000336542377	ref	7.27	-43.89	1	250.386	2.166	1	1	3	CC(C)N(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CCCC1
398246197	ZINC000076746753	ref	5.53	-15.44	0	245.326	1.981	1	3	7	Cc1cccc(N(CCCC#N)CCC(N)=O)c1
365621783	ZINC000336542553	ref	3.66	-10.94	0	276.336	2.074	2	3	3	CCOc1ccc(NC(=O)N2C[C@H](O)C3(CC3)C2)cc1
214189656	ZINC000053605552	ref	5.14	-11.04	0	342.443	2.807	1	5	7	CCCCc1nc(CN2CCC(NC(=O)c3ccccc3)CC2)no1
398246201	ZINC000650439471	ref	0.61	-10.56	0	218.203	1.758	1	3	4	Cc1nc(C(=O)NCCC(C)(F)F)co1
185089880	ZINC000096076170	high	4.18	-5.71	0	275.396	1.626	0	4	2	CN1CCOC[C@@]2(CCCN(Cc3ccccn3)C2)C1
398246204	ZINC000036135933	ref	-0.38	-48.21	1	201.27	-0.682	2	2	5	C[C@@H](NC(=O)CCC[NH3+])C(=O)N(C)C
398246206	ZINC000157377714	ref	4.23	-2.75	0	241.132	2.69	0	2	1	C[C@@H]1CCN(c2cncc(Br)c2)C1
349535679	ZINC000594972818	ref	5.11	-8.57	0	285.372	2.714	1	5	5	N#Cc1csc(CN[C@@H]2C[C@@H](Oc3ccccc3)C2)n1
365621797	ZINC000336542471	ref	6.27	-41.67	1	297.402	2.46	2	2	3	C[C@H]1CN(CC(=O)Nc2cccc3ccccc23)C[C@H](C)[NH2+]1
349535682	ZINC000594972818	mid	6.39	-51.73	1	285.372	2.714	1	4	5	N#Cc1csc(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2)n1
398246209	ZINC000390776462	ref	-1.92	-17.6	0	238.276	-0.596	2	6	3	Cn1cc(CN=c2[nH]c(C(N)=O)cs2)nn1
398246210	ZINC000390776462	mid	-2.31	-42.27	-1	238.276	-0.596	1	6	3	Cn1cc(CN=c2[n-]c(C(N)=O)cs2)nn1
398246214	ZINC000650439107	ref	4.22	-11.04	0	237.278	2.176	2	2	3	CN(C)c1cc(F)cc(NC(=O)NC2CC2)c1
398246216	ZINC000335860192	ref	2.13	-9.92	0	231.317	0.591	0	3	2	O=S(=O)(C1COC1)N1CCCC2(CC2)C1
365621793	ZINC000623049072	ref	2.11	-13.91	0	324.381	1.417	1	6	3	Cc1noc([C@H]2CC[C@@H](CNC(=O)N3C[C@H](C)O[C@H](C)C3)O2)n1
342597992	ZINC000194589789	ref	5.19	-28.94	0	279.365	1.377	0	5	6	COCC[S@](=O)Cc1nnc(-c2ccccc2)n1C
342597993	ZINC000590808655	ref	6.88	-44.94	1	289.423	1.89	2	2	5	CCN(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1
365621801	ZINC000623046117	ref	3.11	-15.25	0	318.364	1.298	2	3	4	CC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@H](C(F)F)C1CCCCC1
365621806	ZINC000623046140	ref	4.88	-12.15	0	315.364	1.654	2	4	6	Cn1cc(C[C@H](O)C(=O)N[C@H](C(F)F)C2CCCCC2)cn1
197596431	ZINC000162851220	ref	3.29	-17.78	0	316.105	2.423	2	3	3	O=c1[nH]ncc(NCc2ccc(F)c(F)c2)c1Br
398246188	ZINC000179909259	ref	6.61	-5.89	0	239.322	2.423	0	3	2	C[C@@H]1Cc2ccccc2CN1Cc1cncnc1
365621812	ZINC000623046408	ref	1.31	-20.61	0	310.366	1.008	2	3	4	O=C(N[C@H](C(F)F)C1CCCCC1)[C@@H]1CCS(=O)(=O)N1
365621819	ZINC000623047369	ref	4.98	-6.78	0	311.389	1.678	1	5	1	Cc1ncc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c(N)n1
365621828	ZINC000623047389	ref	9.02	-42.1	1	303.406	1.368	1	2	5	Cc1ccccc1N(C)C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1
342597994	ZINC000590808655	mid	6.35	-42.28	1	289.423	1.89	2	2	5	CCN(C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1
365621833	ZINC000623047389	high	6.56	-12.61	0	303.406	1.368	0	3	5	Cc1ccccc1N(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1
365621841	ZINC000623050241	ref	2.29	-12.95	0	302.334	1.146	1	6	4	CCc1noc(CN2C[C@@H](C(=O)NC)Oc3ccccc32)n1
349535680	ZINC000258937831	mid	5.3	-10.49	0	210.227	2.011	1	2	5	N#CCCNCCc1ccc(F)c(F)c1
282120147	ZINC000533444630	high	3.32	-47.85	-1	289.383	1.239	1	3	3	CN1CCC[C@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1
365621849	ZINC000623047047	ref	8.38	-22.26	0	314.389	1.874	0	4	5	Cc1ccccc1N(C)C(=O)CN(C)C(=O)[C@@H](C)n1cccn1
299072358	ZINC000358087028	high	3.88	-11.93	0	306.406	1.859	2	4	8	CNC(=O)C[C@@H](C)NCc1ccc(OC[C@@H]2CCCO2)cc1
342597995	ZINC000590808655	mid	8.7	-88.09	2	289.423	1.89	3	1	5	CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1
342597996	ZINC000590808655	mid	8.67	-88.09	2	289.423	1.89	3	1	5	CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1
342597997	ZINC000590808655	mid	9.2	-92.74	2	289.423	1.89	3	1	5	CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1
299072359	ZINC000358088324	ref	3.51	-10.06	0	307.394	1.016	2	4	6	CCCN(CC(C)(C)O)C(=O)C(=O)NCc1ncccc1C
342597998	ZINC000590808655	mid	8.67	-88.09	2	289.423	1.89	3	1	5	CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1
342597999	ZINC000590808655	high	4.28	-8.58	0	289.423	1.89	1	3	5	CCN(C)[C@@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1
342598000	ZINC000590808016	ref	4.48	-11.96	0	298.383	1.275	2	4	3	COC(=O)C1(CNC(=O)N2CCC[C@H](O)[C@@H]2C)CCCC1
342598001	ZINC000590808303	ref	4.62	-10.87	0	298.383	1.444	2	4	4	COC(=O)C1(CNC(=O)N[C@H]2COCC2(C)C)CCCC1
365621795	ZINC000172807544	ref	4.38	-41.46	1	269.776	1.994	3	3	5	O[C@H](CNc1ccc(Cl)cn1)C[NH+]1CCCCC1
365621800	ZINC000172807544	high	2.04	-5.29	0	269.776	1.994	2	4	5	O[C@H](CNc1ccc(Cl)cn1)CN1CCCCC1
365621805	ZINC000172804020	ref	4.92	-10.29	0	269.366	1.458	1	4	5	C[C@@H](CNC(=O)[C@H]1COCCO1)Cc1cccs1
365621822	ZINC000330570061	ref	5.62	-16.76	0	250.258	1.167	1	5	3	Cn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C=CCCC2)n1
282120148	ZINC000248948626	ref	7.13	-38.7	1	302.418	1.664	2	2	4	C[C@@H]1CC[N@H+](CCC(=O)N2CCc3ccccc3C2)[C@H]1CO
398246191	ZINC000645406962	ref	6.85	-105.44	2	240.391	1.874	1	2	6	COC(C)(C)[C@H](C)[NH2+][C@H]1CCN(CC2CC2)C1
365621835	ZINC000172811884	ref	2.85	-7.58	0	263.341	1.446	1	4	5	COCCNC(=O)c1ccc(N2CCC[C@@H]2C)nc1
365621842	ZINC000172810887	ref	2.28	-12.81	0	298.364	1.109	1	5	3	COC(=O)c1cc(S(N)(=O)=O)ccc1N1CCC[C@H]1C
342598002	ZINC000493119643	ref	5.43	-12.63	0	271.364	1.968	1	3	5	Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)CN(C)C)cc1
342598003	ZINC000493119643	low	7.61	-53.79	1	271.364	1.968	2	2	5	Cc1ccc(/C=C/C(=O)N[C@](C)(C#N)C[NH+](C)C)cc1
342598004	ZINC000590807789	ref	8.14	-47.08	1	298.39	1.965	2	2	2	C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cccc(C#N)c1
342598005	ZINC000590807789	mid	8.19	-45.66	1	298.39	1.965	2	2	2	C[C@H](NC(=O)N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1)c1cccc(C#N)c1
365621848	ZINC000172813569	ref	5.01	-25.88	0	297.376	1.442	1	4	6	CCS(=O)(=O)C[C@H](C)NC(=O)c1ccccc1C(C)=O
365621854	ZINC000172818474	ref	3.8	-13.63	0	280.372	1.765	2	4	7	CCCNC(=O)CCC(=O)Nc1c(C)nn(CC)c1C
365621860	ZINC000565289199	ref	5.49	-13.25	0	274.295	1.74	1	3	3	N#Cc1ccc(CNC(=O)[C@@H]2C[C@@]23CCOC3)cc1F
349535684	ZINC000258967558	ref	7.08	-8.6	0	216.202	3.555	0	1	2	CC(=O)c1ccc([C@H](C)C(F)(F)F)cc1
365621868	ZINC000172808012	ref	3.66	-38.27	1	255.749	1.238	2	3	3	C[C@H](O)C[NH+]1CCN(c2ccc(Cl)cn2)CC1
365621875	ZINC000172808012	mid	1.37	-5.21	0	255.749	1.238	1	4	3	C[C@H](O)CN1CCN(c2ccc(Cl)cn2)CC1
398246196	ZINC000645406962	low	6.76	-105.86	2	240.391	1.874	2	1	6	COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1
342082271	ZINC000625331346	mid	4.19	-36.43	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCC[N@H+]1CC
185089882	ZINC000096075946	ref	4.2	-36.01	1	278.4	1.025	1	4	5	COCC[N@@H+]1CC[C@@]12CCN(Cc1cc(C)n(C)n1)C2
136228538	ZINC000282810101	ref	2.81	-12.91	0	247.294	0.957	2	3	6	O=C(CCCOc1ccccc1)NCC#CCO
136228539	ZINC000191488793	ref	2.63	-39.65	1	239.34	1.814	2	3	4	COc1ccc2c(c1)[C@@H]([NH2+]CCO)CCS2
210256614	ZINC000019526854	high	6.75	-17.89	0	398.511	1.177	0	6	6	CCN1C[C@H](C(=O)N2CC[C@H](c3nn(CCN(C)C)c4ncccc34)C2)CC1=O
342082272	ZINC000625331346	high	2.02	-6.69	0	297.443	1.088	1	4	8	CCN(CC(=O)NC[C@@H]1CCCO1)C[C@@H]1CCCN1CC
210256620	ZINC000019525815	ref	10.34	-15.06	0	379.508	3.882	1	4	6	CCCc1nccc(-c2c[nH]nc2C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)n1
342082273	ZINC000625331918	ref	3.57	-8.9	0	263.403	1.911	1	3	9	CCC[C@@H](CNS(=O)(=O)CC1CCC1)OCC
342082274	ZINC000625331988	ref	3.62	-8.98	0	280.434	1.758	1	3	11	CCCCN(C)S(=O)(=O)NC[C@H](CCC)OCC
342082275	ZINC000625331111	ref	1.2	-14.44	0	274.289	1.515	1	4	5	O=S(=O)(CCC(F)(F)F)NCc1ccns1
342082276	ZINC000625331111	high	0.81	-34.88	-1	274.289	1.515	0	4	5	O=S(=O)(CCC(F)(F)F)[N-]Cc1ccns1
342082277	ZINC000625331312	ref	4.83	-38.12	1	286.416	1.417	2	3	6	C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CCOC1CCOCC1
342082278	ZINC000625331312	mid	5.09	-35.84	1	286.416	1.417	2	3	6	C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOC1CCOCC1
342082279	ZINC000625331312	mid	2.86	-6.86	0	286.416	1.417	1	4	6	C[C@H](C(=O)NC(C)(C)C)N(C)CCOC1CCOCC1
282120149	ZINC000449149569	ref	3.66	-10.41	0	285.347	2.17	2	4	5	Cc1cccc(O[C@@H](C)CNC(=O)c2ccc(N)cn2)c1
342082280	ZINC000625332317	ref	4.89	-47.52	1	288.457	1.682	1	2	4	C[C@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CC1CC(C)(C)C1
342082281	ZINC000625331272	ref	4.26	-38.39	1	266.389	1.938	1	4	7	CCc1noc(CN(CC)C[C@@H]2CCC[N@@H+]2CC)n1
222609177	ZINC000222559117	ref	0.19	-22.81	0	389.499	0.513	2	5	5	CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CCCN(S(C)(=O)=O)C2)c1
342082282	ZINC000625331272	mid	5.37	-33.13	1	266.389	1.938	1	4	7	CCc1noc(CN(CC)C[C@@H]2CCC[N@H+]2CC)n1
342082283	ZINC000625331272	high	1.92	-5.04	0	266.389	1.938	0	5	7	CCc1noc(CN(CC)C[C@@H]2CCCN2CC)n1
342082284	ZINC000625332273	ref	2.86	-4.76	0	277.368	1.876	0	5	6	COc1cncc(CN2CCC[C@@H](OCC3CC3)C2)n1
185089884	ZINC000096075946	mid	4.22	-36.75	1	278.4	1.025	1	4	5	COCC[N@H+]1CC[C@@]12CCN(Cc1cc(C)n(C)n1)C2
166172921	ZINC000013824189	ref	7.45	-9.74	0	196.319	1.697	1	1	5	C=CCN(CC=C)C(=S)NC1CC1
349535686	ZINC000618816368	ref	3.08	-11.97	0	273.336	1.616	3	3	4	C[C@H](CCO)NC(=O)N[C@@H]1CCc2cc(C#N)ccc21
214189658	ZINC000337632565	ref	7.58	-8.05	0	260.337	3.099	1	3	4	CC[C@H](C)C[C@@H](C)n1c(=O)[nH]c2ccccc2c1=O
398246194	ZINC000651447790	ref	10.05	-8.36	0	292.386	3.204	0	4	1	Cc1cc2c(N3CCc4ccccc4[C@H](C)C3)nccn2n1
398246199	ZINC000651452627	ref	8.04	-8.79	0	288.391	3.169	1	2	4	COc1cccc(CN(C)C(=O)NC2CC3(CCC3)C2)c1
398246203	ZINC000651452520	ref	9.42	-8.91	0	272.392	3.469	1	1	3	Cc1ccc(CN(C)C(=O)NC2CC3(CCC3)C2)cc1
398246207	ZINC000651445883	ref	3.96	-8.24	0	291.376	3.369	0	6	3	CC1(C)C[C@H](c2noc(/C=C/c3cscn3)n2)CCO1
342082285	ZINC000625332273	mid	4.7	-38.58	1	277.368	1.876	1	4	6	COc1cncc(C[N@@H+]2CCC[C@@H](OCC3CC3)C2)n1
299072360	ZINC000271713542	ref	8.96	-17.57	0	305.378	3.486	1	3	5	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccccc1[N+](=O)[O-]
342082286	ZINC000625332273	mid	5.15	-39.29	1	277.368	1.876	1	4	6	COc1cncc(C[N@H+]2CCC[C@@H](OCC3CC3)C2)n1
214189663	ZINC000337635341	ref	7.29	-10.01	0	273.38	2.196	1	3	5	CN(C(=O)c1ccc(NCC2CC2)nc1)[C@H]1CC1(C)C
214189666	ZINC000337636083	ref	5.29	-6.7	0	284.306	3.284	2	2	3	COc1c(F)cc(F)cc1NC(=O)N[C@H]1CCC[C@@H]1C
398246211	ZINC000651449166	ref	7.2	-12.16	0	272.348	3.404	1	3	4	CC[C@@H](C#N)C(=O)Nc1ccc(C(=O)C(C)(C)C)cc1
214189669	ZINC000337632827	ref	10.52	-36.87	1	288.435	3.123	1	1	5	CC[NH+](CC)CC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C
214189673	ZINC000337632827	high	8.48	-8.33	0	288.435	3.123	0	2	5	CCN(CC)CC(=O)N1CC[C@@H](c2ccccc2)C[C@@H]1C
214189677	ZINC000337633384	ref	6.24	-24.02	0	288.355	0.551	1	5	4	Cn1cc2c(=NCCCN3CCCCC3=O)ncnc-2[nH]1
214189680	ZINC000337634457	ref	0.08	-18.98	0	257.334	0.238	3	3	7	CNC(=O)CCNC(=O)NCC1(COC)CCC1
178291609	ZINC000180221773	ref	3.55	-14.39	0	248.282	1.366	1	4	2	Cc1cc2c(cc1N[C@H]1CCN(C)C1=O)OCO2
214189684	ZINC000337637004	ref	6.7	-8.19	0	282.334	3.023	2	1	5	Cc1ccccc1C[C@@H](C)NC(=O)NC1(C(F)F)CC1
342082287	ZINC000625331315	ref	4.79	-37.52	1	286.416	1.417	2	3	6	C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CCOC1CCOCC1
342082288	ZINC000625331315	mid	5.12	-33.5	1	286.416	1.417	2	3	6	C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CCOC1CCOCC1
342082289	ZINC000625331315	mid	2.59	-10.29	0	286.416	1.417	1	4	6	C[C@@H](C(=O)NC(C)(C)C)N(C)CCOC1CCOCC1
342082290	ZINC000625332000	ref	4.78	-38.29	1	295.349	1.327	2	2	5	C[C@@H](CC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C(F)(F)F
299072361	ZINC000358088475	ref	5.11	-31.39	1	318.469	1.417	2	5	6	CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)C1
349535687	ZINC000594973393	ref	7.28	-47.59	1	274.339	2.912	1	2	5	C=CCC1([NH2+]Cc2ccc(C#N)cc2F)CCOCC1
365621803	ZINC000336542574	ref	6.89	-51.06	1	266.772	2.359	1	1	3	CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(Cl)c2)C1
349535691	ZINC000594973393	high	6.56	-6.47	0	274.339	2.912	1	3	5	C=CCC1(NCc2ccc(C#N)cc2F)CCOCC1
190491970	ZINC000269407507	ref	10.32	-54.9	1	269.392	3.489	1	2	8	C=CCC[C@H]([NH2+]CCn1ccnc1C)c1ccccc1
190491971	ZINC000269407507	mid	10.81	-103.84	2	269.392	3.489	1	1	8	C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1
349535696	ZINC000594970363	ref	9.25	-24.35	1	274.364	2.877	1	3	5	COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1[nH+]ccc(C)c1C1CC1
365621811	ZINC000336542574	high	5.71	-9.13	0	266.772	2.359	1	2	3	CC(=O)N1CC[C@H](NCc2ccc(C)c(Cl)c2)C1
349535700	ZINC000594970363	mid	8.92	-9.3	0	274.364	2.877	1	4	5	COC(=O)[C@@H]1C[C@@H]1[C@H](C)Nc1nccc(C)c1C1CC1
185089885	ZINC000096075946	high	1.18	-7.38	0	278.4	1.025	0	5	5	COCCN1CC[C@@]12CCN(Cc1cc(C)n(C)n1)C2
190491974	ZINC000269406813	ref	7.38	-13.66	0	261.321	2.076	1	3	5	COC(=O)C[C@@H](C)NC(=O)/C=C/c1ccc(C)cc1
349535704	ZINC000594973988	ref	9.81	-40.89	1	275.392	2.633	1	2	6	COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCc1ccc(C)c(C)c1
185089887	ZINC000096078483	ref	1.35	-42.32	1	264.329	0.284	2	5	3	c1cnc(NC[C@@H]2CO[C@]3(C[NH2+]CCOC3)C2)cn1
365621817	ZINC000336541934	ref	5.66	-16.58	0	273.442	2.428	0	2	3	CC(C)CC(C)(C)C(=O)N1CC[C@@H](C)[S@](=O)CC1
365621829	ZINC000336541888	ref	3.25	-13.3	0	259.309	2.187	3	2	2	C[C@@H]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
365621838	ZINC000336542609	ref	6.84	-103.1	2	287.407	2.089	3	1	3	C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1
185089889	ZINC000096076576	ref	4.7	-41.24	1	292.339	-0.35	1	5	1	C[N@@H+]1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1
365621851	ZINC000336542609	mid	4.62	-46.14	1	287.407	2.089	2	2	3	C[C@@H](C(=O)Nc1ccccc1)N1CCC2(CC[NH2+]C2)CC1
190491977	ZINC000269402692	ref	5.16	-15.78	0	275.352	1.508	0	3	3	CC(C)c1ccc(C(=O)N(C)[C@@H]2CCN(C)C2=O)cn1
282120150	ZINC000321435681	ref	3.68	-53.42	-1	345.417	1.873	1	6	9	CCC(CC)(CNS(=O)(=O)c1cc(OC)ccc1OC)C(=O)[O-]
365621857	ZINC000336542453	ref	5.48	-19.72	0	275.348	2.266	1	3	2	CC(=O)c1cccc(C(=O)N2CCC[C@@](C)(O)CC2)c1
168366270	ZINC000043291454	low	5.37	-109.55	2	198.354	2.234	2	0	2	C[C@@H]([NH3+])[C@@H]([NH+]1CCCCC1)C(C)(C)C
365621807	ZINC000617373116	ref	2.6	-7.52	0	279.34	0.956	1	5	5	COC[C@@H](NC(=O)c1ccnc(C)n1)C1CCOCC1
365621815	ZINC000617373269	ref	-0.83	-21.31	0	295.339	0.285	3	4	6	COC[C@H](NC(=O)c1c[nH]c(C(N)=O)c1)C1CCOCC1
365621826	ZINC000617372896	ref	1.53	-9.19	0	284.356	0.07	2	4	7	COC[C@@H](NC(=O)CNC(=O)C1CC1)C1CCOCC1
342598006	ZINC000590807789	high	5.93	-11.87	0	298.39	1.965	1	3	2	C[C@H](NC(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)c1cccc(C#N)c1
365621836	ZINC000617372669	ref	-0.08	-18.09	0	272.345	0.2	2	4	8	COC[C@H](NC(=O)CCCC(N)=O)C1CCOCC1
365621846	ZINC000617372538	ref	3.37	-12.28	0	294.351	0.557	1	5	5	COC[C@@H](NC(=O)c1ccc(=O)n(C)c1)C1CCOCC1
365621856	ZINC000617371782	ref	3.03	-13.22	0	281.356	0.52	1	5	6	COC[C@@H](NC(=O)Cc1cnn(C)c1)C1CCOCC1
365621864	ZINC000617372463	ref	1.57	-8.88	0	257.33	0.581	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCOC1)C1CCOCC1
365621874	ZINC000617371391	ref	-0.84	-8.98	0	254.286	0.846	1	5	5	COC[C@@H](NC(=O)c1cocn1)C1CCOCC1
365621886	ZINC000617372746	ref	2.17	-9.25	0	295.339	0.161	1	6	6	COC[C@@H](NC(=O)C(=O)c1cnn(C)c1)C1CCOCC1
282120153	ZINC000248948626	mid	6.61	-43.56	1	302.418	1.664	2	2	4	C[C@@H]1CC[N@@H+](CCC(=O)N2CCc3ccccc3C2)[C@H]1CO
342598007	ZINC000590808397	ref	6.28	-53.0	1	264.373	1.462	3	2	3	C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
365621899	ZINC000617371607	ref	3.89	-14.2	0	298.383	0.413	1	4	7	COC[C@H](NC(=O)CN(C)C(=O)C1CC1)C1CCOCC1
398246195	ZINC000179909259	mid	8.56	-43.52	1	239.322	2.423	1	2	2	C[C@@H]1Cc2ccccc2C[N@@H+]1Cc1cncnc1
342598008	ZINC000590808397	mid	5.75	-50.39	1	264.373	1.462	3	2	3	C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
365621909	ZINC000617371981	ref	2.47	-7.18	0	271.357	0.971	1	4	5	COC[C@H](NC(=O)[C@@H]1CCCOC1)C1CCOCC1
365621919	ZINC000617373520	ref	2.14	-10.06	0	259.346	0.971	1	4	8	COCCCC(=O)N[C@@H](COC)C1CCOCC1
349535688	ZINC000621244152	ref	4.15	-12.21	0	298.289	2.26	2	3	5	O=C(NCC[C@H]1CC1(F)F)NCc1ccc2c(c1)OCO2
365621934	ZINC000617371982	ref	2.42	-7.14	0	271.357	0.971	1	4	5	COC[C@@H](NC(=O)[C@H]1CCCOC1)C1CCOCC1
192339910	ZINC000421444355	ref	9.2	-9.17	0	243.35	3.456	0	1	2	Cc1cc(C)cc(N(C)C(=O)[C@]23CCC[C@H]2C3)c1
365621944	ZINC000617373670	ref	1.6	-12.01	0	267.329	0.89	2	4	5	COC[C@@H](NC(=O)c1c[nH]nc1C)C1CCOCC1
365621953	ZINC000617371312	ref	3.63	-16.22	0	294.351	0.557	1	5	5	COC[C@@H](NC(=O)c1cccn(C)c1=O)C1CCOCC1
342598009	ZINC000590808397	high	3.39	-16.22	0	264.373	1.462	2	3	3	CN1CCC[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)C1
214189661	ZINC000053586189	ref	8.6	-40.32	1	330.241	4.278	1	1	5	C[C@H](C[NH2+]C1CCCCC1)Oc1ccc(Br)cc1F
365621814	ZINC000274314803	mid	7.2	-40.62	1	291.37	1.959	2	2	5	O=C(NCC1CC1)[C@H]1CCC[N@H+](Cc2cncc(F)c2)C1
210256626	ZINC000019523133	ref	10.62	-16.06	0	380.492	2.564	0	5	4	CCc1nc(C)cc(N2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)n1
365621823	ZINC000274314803	mid	4.85	-7.67	0	291.37	1.959	1	3	5	O=C(NCC1CC1)[C@H]1CCCN(Cc2cncc(F)c2)C1
365621831	ZINC000274318360	ref	2.15	-9.3	0	293.392	1.663	1	6	4	C[C@H](O)C[C@@H]1COCCN1Cc1cccc2nsnc12
210256631	ZINC000019523133	mid	11.14	-40.57	1	380.492	2.564	0	4	4	CCc1nc(N2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)cc(C)[nH+]1
365621837	ZINC000274318360	low	3.08	-38.19	1	293.392	1.663	2	5	4	C[C@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccc2nsnc12
342598010	ZINC000364840769	ref	6.13	-38.59	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1
197596456	ZINC000290100789	ref	1.72	-13.45	0	291.282	1.353	1	5	4	COc1ccc(CNC(=O)c2cc3n(n2)CCO3)cc1F
398246198	ZINC000179909259	mid	8.81	-42.23	1	239.322	2.423	1	2	2	C[C@@H]1Cc2ccccc2C[N@H+]1Cc1cncnc1
282120154	ZINC000449149322	ref	8.0	-58.22	0	298.427	2.255	2	3	6	C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
365621843	ZINC000274318360	low	3.3	-39.48	1	293.392	1.663	2	5	4	C[C@H](O)C[C@@H]1COCC[N@H+]1Cc1cccc2nsnc12
323004214	ZINC000126711139	high	5.77	-45.1	-1	241.316	0.385	0	6	4	O=C([O-])[C@H]1CSCCN1CCn1ccnc1
210256634	ZINC000019523617	ref	7.82	-13.56	0	396.491	2.613	1	6	5	CCc1nccn1CC1(O)CCN(C(=O)c2cc3cc(OC)ccc3n2C)CC1
398246202	ZINC000350890949	ref	4.52	-11.23	0	243.347	1.733	1	3	4	C[C@@H]1C[C@H](CNC(=O)COC(C)(C)C)CCO1
210256750	ZINC000000642778	ref	6.1	-7.55	0	370.044	3.537	1	2	3	O=C(NCc1ccncc1)c1cc(Br)ccc1Br
210256605	ZINC000428367189	ref	5.87	-56.66	1	339.461	0.453	1	4	4	CSC[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O
210256607	ZINC000428372846	ref	3.52	-14.13	0	336.417	0.831	0	5	4	CC(C)CN1CCN(S(=O)(=O)c2cccnc2C#N)[C@@H](C)C1=O
210256612	ZINC000428362709	ref	-0.19	-14.48	0	327.406	0.829	2	5	6	CC(C)(O)CN(C(=O)c1cncc(NS(C)(=O)=O)c1)C1CC1
349535690	ZINC000258967956	ref	6.75	-44.76	1	206.314	2.45	1	2	4	Cc1ccsc1C[NH2+]CC1(C#N)CC1
365621827	ZINC000625029000	mid	7.95	-37.87	1	305.378	2.315	1	4	8	Cc1c[nH+]cn1CC(=O)N[C@@H](COCC(C)C)c1ccco1
136228540	ZINC000191488793	high	1.42	-7.43	0	239.34	1.814	2	4	4	COc1ccc2c(c1)[C@@H](NCCO)CCS2
342598011	ZINC000364840769	mid	6.43	-38.33	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1
342598012	ZINC000364840769	high	3.91	-10.3	0	280.412	1.768	0	3	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CCN(C)[C@@H]2C1
178291596	ZINC000236989595	ref	4.55	-49.37	1	364.465	1.909	4	2	8	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1
342598013	ZINC000590807800	ref	4.64	-11.42	0	291.351	1.58	2	4	7	COCC(COC)NC(=O)N[C@@H](C)c1cccc(C#N)c1
342598014	ZINC000590809008	ref	2.75	-15.0	0	275.308	1.554	2	4	2	COc1ccc(C#N)cc1NC(=O)N1CC[C@@H](O)[C@H]1C
342598015	ZINC000590808750	ref	5.34	-43.08	1	280.393	1.645	2	3	2	C[N@@H+]1CCC[C@H](NC(=O)c2cc3c(s2)CCOC3)C1
214189662	ZINC000278492588	ref	5.4	-10.41	0	312.36	2.585	2	2	6	O=C(NCCCCCCO)N1CCc2c(F)ccc(F)c2C1
342598016	ZINC000590808750	mid	5.88	-44.93	1	280.393	1.645	2	3	2	C[N@H+]1CCC[C@H](NC(=O)c2cc3c(s2)CCOC3)C1
342598017	ZINC000590808750	mid	2.99	-9.04	0	280.393	1.645	1	4	2	CN1CCC[C@H](NC(=O)c2cc3c(s2)CCOC3)C1
365621834	ZINC000625028815	ref	5.97	-9.72	0	301.452	2.157	1	3	10	CCO[C@H](CS(=O)(=O)NCC(C1CC1)C1CC1)C1CC1
365621844	ZINC000625028609	ref	6.91	-21.0	0	305.422	2.112	1	2	2	CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365621855	ZINC000625030940	ref	5.81	-10.81	0	313.357	2.301	1	5	4	CCc1ncncc1C(=O)N[C@@H]1CCOc2c(OC)cccc21
365621863	ZINC000625027771	ref	5.09	-8.32	0	304.434	2.011	1	3	6	Cc1ccccc1C[C@H](C)C(=O)NCCN1CCO[C@H](C)C1
365621867	ZINC000625027771	low	7.54	-43.91	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@H](C)C(=O)NCC[N@@H+]1CCO[C@H](C)C1
365621873	ZINC000625027771	low	7.5	-43.45	1	304.434	2.011	2	2	6	Cc1ccccc1C[C@H](C)C(=O)NCC[N@H+]1CCO[C@H](C)C1
214189665	ZINC000278492620	ref	5.24	-12.86	0	315.822	2.379	0	3	2	CS(=O)(=O)[C@H]1CCCCN(C(=O)c2ccc(Cl)cc2)C1
185089890	ZINC000096076576	mid	4.1	-40.26	1	292.339	-0.35	1	5	1	C[N@H+]1CCOC[C@@]2(CN(C(=O)c3cnccn3)CCO2)C1
342598018	ZINC000590808042	ref	5.77	-9.39	0	268.357	1.985	2	3	6	CC/C=C\CNC(=O)NCC1(C(=O)OC)CCCC1
365621881	ZINC000625028211	ref	4.15	-16.07	0	322.405	2.024	2	4	8	CC(C)COC[C@H](NC(=O)[C@H](C)[C@@H]1CCC(=O)N1)c1ccco1
398246200	ZINC000645406962	low	6.85	-105.44	2	240.391	1.874	2	1	6	COC(C)(C)[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1
210256619	ZINC000428362709	high	-0.17	-45.0	-1	327.406	0.829	1	5	6	CC(C)(O)CN(C(=O)c1cncc([N-]S(C)(=O)=O)c1)C1CC1
210256624	ZINC000428369189	ref	1.67	-15.78	0	328.39	0.189	2	5	6	COC(=O)CCN(C)S(=O)(=O)N[C@@H]1Cc2cccc(O)c2C1
349535692	ZINC000618814758	ref	6.8	-11.85	0	270.336	1.576	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1ccc2c(c1)CCC2
214189664	ZINC000293645292	high	3.1	-12.94	0	351.422	0.398	2	4	7	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CNC(=O)Cc1cccc(F)c1
214189668	ZINC000293639967	ref	2.95	-20.73	0	364.398	0.931	2	6	5	COCc1cc(NC(=O)[C@@]2(O)CCCN(C(C)=O)C2)cc(C(=O)OC)c1
342082291	ZINC000625332000	mid	2.41	-5.24	0	295.349	1.327	1	3	5	C[C@@H](CC(=O)N[C@H](C)CN1CCN(C)CC1)C(F)(F)F
214189671	ZINC000293642565	ref	2.83	-23.2	0	371.434	0.438	1	4	6	CN(C(=O)CCNC(=O)c1ccc(F)cc1)[C@@H]1CCN(S(C)(=O)=O)C1
214189676	ZINC000293646403	ref	4.19	-23.52	0	359.426	0.941	2	4	4	C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)C1
349535698	ZINC000618815357	ref	4.95	-11.38	0	259.313	1.293	1	4	4	CN(Cc1cn(C)nn1)C(=O)c1[nH]ccc1C1CC1
349535702	ZINC000618816531	ref	6.98	-11.79	0	270.336	1.965	0	4	4	CN(Cc1cn(C)nn1)C(=O)c1cccc(C2CC2)c1
349535706	ZINC000618815280	ref	7.25	-14.45	0	288.326	1.658	0	4	4	CN(Cc1cn(C)nn1)C(=O)[C@@H]1C[C@@]1(F)c1ccccc1
210256629	ZINC000428367192	ref	5.94	-57.16	1	339.461	0.453	1	4	4	CSC[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1C(=O)[C@H]2CCCC[C@H]2C1=O
365621840	ZINC000121840159	low	8.89	-46.19	1	293.374	2.051	1	4	3	c1ccc(N2CC[NH+](Cc3cnc4ccccn34)CC2)nc1
349535712	ZINC000618815445	ref	6.01	-24.08	0	275.356	1.614	1	4	5	CC(C)Cc1c[nH]c(C(=O)N(C)Cc2cn(C)nn2)c1
349535715	ZINC000618815244	ref	4.47	-14.28	0	296.277	1.689	0	5	5	CN(Cc1cn(C)nn1)C(=O)c1ccc(OC(F)F)cc1
349535721	ZINC000618814604	ref	6.42	-20.06	0	290.371	1.184	0	6	6	CCc1nccn1[C@@H](C)CC(=O)N(C)Cc1cn(C)nn1
342082292	ZINC000625332000	mid	4.71	-42.13	1	295.349	1.327	2	2	5	C[C@@H](CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)C(F)(F)F
190491985	ZINC000269402791	ref	4.09	-17.79	0	288.347	2.364	1	4	4	Cc1cccc2oc(CCNC(=O)[C@H]3CCCCO3)nc12
349535726	ZINC000618814604	mid	6.88	-41.48	1	290.371	1.184	0	5	6	CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)Cc1cn(C)nn1
342082293	ZINC000625331353	ref	4.44	-39.31	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCC[N@@H+]1CC
349535730	ZINC000618816520	ref	7.92	-20.66	0	284.363	1.886	0	4	4	Cc1ccc([C@H]2C[C@@H]2C(=O)N(C)Cc2cn(C)nn2)cc1
365621847	ZINC000121837713	ref	7.16	-10.86	0	276.384	2.059	1	3	5	Cc1c(CNC(=O)N(C)C(C2CC2)C2CC2)cnn1C
365621866	ZINC000121840201	ref	6.06	-7.29	0	251.326	2.401	0	3	2	CCc1oc(C(=O)N2CCOC(C)(C)C2)cc1C
214189667	ZINC000053607066	ref	4.74	-11.54	0	330.363	2.044	0	5	4	O=C(c1ccc(F)cc1)N1CCN(Cc2noc(C3CC3)n2)CC1
185089891	ZINC000096076576	high	1.8	-10.23	0	292.339	-0.35	0	6	1	CN1CCOC[C@]2(C1)CN(C(=O)c1cnccn1)CCO2
365621877	ZINC000121841489	ref	3.64	-6.92	0	282.391	2.183	0	4	4	C[C@H]1CN(Cc2ccncc2)CCN1Cc1ccncc1
365621888	ZINC000121841489	mid	6.36	-44.49	1	282.391	2.183	1	3	4	C[C@H]1C[N@H+](Cc2ccncc2)CCN1Cc1ccncc1
365621894	ZINC000121841489	mid	5.91	-42.9	1	282.391	2.183	1	3	4	C[C@H]1C[N@@H+](Cc2ccncc2)CCN1Cc1ccncc1
168365043	ZINC000083278677	ref	4.59	-45.54	1	193.221	2.462	1	1	2	C[C@@H]([NH3+])Cc1cc2cc(F)ccc2o1
214189674	ZINC000053602948	ref	4.45	-12.87	0	346.431	2.881	1	6	10	CCCCc1nc(CN(CC)CC(=O)Nc2ccccc2OC)no1
365621900	ZINC000121841489	mid	6.37	-42.23	1	282.391	2.183	1	3	4	C[C@H]1CN(Cc2ccncc2)CC[N@@H+]1Cc1ccncc1
342082294	ZINC000625331353	mid	4.23	-35.36	1	297.443	1.088	2	3	8	CCN(CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCC[N@H+]1CC
185089893	ZINC000096078448	ref	3.55	-39.34	1	281.331	1.028	2	4	3	Fc1cccnc1NC[C@H]1CO[C@]2(C[NH2+]CCOC2)C1
185089895	ZINC000096078724	ref	3.74	-10.27	0	294.351	0.648	0	5	2	Cc1ccc(CN2CCOC[C@@]3(C2)CN(C)C(=O)CO3)o1
365621906	ZINC000121841489	mid	6.46	-42.99	1	282.391	2.183	1	3	4	C[C@H]1CN(Cc2ccncc2)CC[N@H+]1Cc1ccncc1
398246205	ZINC000019412397	ref	7.8	-62.71	-1	247.294	1.993	0	3	2	Cc1ccc(C)c(C(=O)N2CCC[C@H]2C(=O)[O-])c1
365621913	ZINC000121835809	ref	5.97	-46.25	1	290.407	2.173	3	2	6	CC1CC[NH+](CCCNC(=O)Cc2ccc(O)cc2)CC1
185089896	ZINC000096078724	mid	5.86	-46.32	1	294.351	0.648	1	4	2	Cc1ccc(C[N@H+]2CCOC[C@]3(CN(C)C(=O)CO3)C2)o1
299072362	ZINC000358088475	low	5.58	-89.66	2	318.469	1.417	2	4	6	CCN1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1
214189689	ZINC000053593534	ref	4.43	-10.32	0	328.463	1.842	1	7	4	CNc1nnc(SCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1
398246212	ZINC000417635883	ref	2.56	-51.72	1	227.352	1.602	3	1	5	C[C@@H](CC[NH3+])NC(=O)N[C@@H](C)C1CCCC1
168365045	ZINC000044461730	ref	2.14	-45.65	1	187.189	1.56	2	1	2	C[C@@H]([NH3+])Cc1cc(F)cc(F)c1O
398246218	ZINC000645407068	ref	4.53	-8.55	0	241.241	1.6	2	4	5	CC#CC[C@H](CO)Nc1ncc(C(F)F)cn1
168365046	ZINC000020557349	ref	7.72	-37.52	1	221.344	3.683	1	1	5	CCC(CC)C[NH2+][C@H]1CCCc2occc21
214189670	ZINC000278493420	ref	3.72	-8.09	0	319.38	2.158	3	4	7	CCOC1CC(O)(CN[C@H](c2ccc(F)cc2)c2ncc[nH]2)C1
214189672	ZINC000278493420	mid	4.66	-46.62	1	319.38	2.158	3	3	7	CCOC1CC(O)(C[NH2+][C@H](c2ccc(F)cc2)c2ncc[nH]2)C1
214189675	ZINC000278492900	ref	4.02	-12.05	0	316.361	1.582	2	5	7	CCc1ccc(OCC(=O)Nc2cn(CC)nc2C(N)=O)cc1
168365049	ZINC000125430641	ref	6.42	-33.97	1	226.389	3.538	1	2	6	CCC(CC)C[NH2+][C@H](C)c1ncc(C)s1
178291606	ZINC000236991225	ref	3.64	-54.22	1	356.488	1.691	1	4	9	CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1
178291607	ZINC000236991225	high	3.32	-18.75	0	356.488	1.691	1	5	9	CC[C@H](C)[C@H](N)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1
214189678	ZINC000278492066	ref	7.47	-9.05	0	316.445	2.99	2	2	4	C[C@@H](NC(=O)C(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1
178291612	ZINC000236997505	ref	3.83	-53.45	1	367.515	1.851	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1
178291620	ZINC000236992747	ref	3.13	-57.88	1	373.544	1.565	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC[C@H]([NH3+])C2)s1
178291624	ZINC000236995307	ref	4.84	-52.86	1	367.515	1.693	2	3	7	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)cc1
178291627	ZINC000236990694	ref	4.65	-47.92	1	357.252	1.614	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Br)cn1
214189681	ZINC000278492699	ref	7.41	-16.13	0	315.348	3.406	1	4	4	Cc1ccc(NCc2ccc(F)nc2C)cc1N1CCOC1=O
178291633	ZINC000236990694	high	4.33	-18.01	0	357.252	1.614	2	4	6	CC[C@H](C)[C@H](N)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1
210256633	ZINC000428339074	ref	3.1	-27.28	0	329.466	0.986	2	3	4	CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCCN(C)C2=O)C1
299072363	ZINC000358088475	low	8.27	-173.95	3	318.469	1.417	3	3	6	CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1
365621850	ZINC000274317206	ref	2.38	-13.88	0	281.308	1.081	1	5	7	C[C@@H](Oc1cccc(OCCC2OCCO2)c1)C(N)=O
398246208	ZINC000350827510	ref	-4.54	-41.65	-1	234.219	-0.962	3	5	4	NC(=O)c1cc(NCc2n[nH]c(=O)[n-]2)ccn1
398246213	ZINC000350827510	low	-3.39	-17.33	0	234.219	-0.962	4	5	4	NC(=O)c1cc(NCc2n[nH]c(=O)[nH]2)ccn1
398246217	ZINC000179905442	ref	6.27	-38.67	1	240.391	2.4	2	1	7	CCC[C@H](C)C[N@@H+]1CCC[C@H](CCC(N)=O)C1
210256642	ZINC000428330217	ref	0.76	-44.48	-1	349.4	0.673	1	4	4	CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)[N-]CC(F)(F)F
365621858	ZINC000623046014	ref	4.16	-43.45	-1	318.393	1.874	1	4	5	CN=c1[n-]nc(CC(=O)N[C@@H](C(F)F)C2CCCCC2)s1
365621861	ZINC000623046014	low	4.26	-11.43	0	318.393	1.874	2	4	5	CN=c1[nH]nc(CC(=O)N[C@@H](C(F)F)C2CCCCC2)s1
365621869	ZINC000623046780	ref	8.19	-13.5	0	315.417	1.722	0	3	3	C[C@H]1CN(C)c2ccccc2CN1C(=O)CN(C)C(=O)C1CC1
342082295	ZINC000625331353	high	2.06	-6.39	0	297.443	1.088	1	4	8	CCN(CC(=O)NC[C@H]1CCCO1)C[C@@H]1CCCN1CC
342082296	ZINC000625331787	ref	4.97	-48.11	1	281.444	1.709	2	2	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H]1CCNC(=O)CC1
185089898	ZINC000096078724	mid	5.28	-38.68	1	294.351	0.648	1	4	2	Cc1ccc(C[N@@H+]2CCOC[C@]3(CN(C)C(=O)CO3)C2)o1
365621882	ZINC000623046794	ref	4.42	-8.38	0	316.449	1.101	0	4	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)CN1CCN(C)CC1
342082297	ZINC000625331787	mid	4.97	-47.68	1	281.444	1.709	2	2	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H]1CCNC(=O)CC1
365621889	ZINC000623046794	mid	6.79	-38.86	1	316.449	1.101	1	3	2	C[C@H]1CN(C)c2ccccc2CN1C(=O)CN1CC[NH+](C)CC1
342082298	ZINC000625331787	mid	6.32	-39.46	1	281.444	1.709	2	2	6	CCN(C[C@H]1CCNC(=O)CC1)C[C@H]1CCC[N@@H+]1CC
365621898	ZINC000623045434	ref	1.82	-14.7	0	312.382	1.256	2	3	7	CS(=O)(=O)NCCC(=O)N[C@H](C(F)F)C1CCCCC1
342082299	ZINC000625331787	mid	5.58	-39.66	1	281.444	1.709	2	2	6	CCN(C[C@H]1CCNC(=O)CC1)C[C@H]1CCC[N@H+]1CC
365621905	ZINC000623048565	ref	-1.07	-12.98	0	310.379	1.13	2	6	6	CCc1noc(CN[C@H](C)c2cccc(S(N)(=O)=O)c2)n1
365621914	ZINC000623046685	ref	2.2	-41.28	-1	320.365	1.933	2	4	6	O=C(CSc1n[nH]c(=O)[n-]1)N[C@@H](C(F)F)C1CCCCC1
299072364	ZINC000425597500	ref	2.87	-17.82	0	304.334	1.4	1	3	4	C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)N[C@@H](C)C(F)(F)F
299072368	ZINC000341097556	ref	5.73	-30.14	0	343.405	1.73	1	5	6	C[C@H](NC(=O)N(C)[C@@H](C)CS(C)(=O)=O)c1ccccc1[N+](=O)[O-]
299072372	ZINC000357762196	ref	5.75	-47.29	1	345.509	1.324	2	3	5	C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1
342082300	ZINC000625331786	ref	5.3	-46.42	1	281.444	1.709	2	2	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H]1CCNC(=O)CC1
342082301	ZINC000625331786	mid	4.96	-44.25	1	281.444	1.709	2	2	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H]1CCNC(=O)CC1
342082302	ZINC000625331786	mid	5.97	-43.25	1	281.444	1.709	2	2	6	CCN(C[C@@H]1CCNC(=O)CC1)C[C@@H]1CCC[N@@H+]1CC
365621920	ZINC000623046685	low	3.45	-12.2	0	320.365	1.933	3	4	6	O=C(CSc1n[nH]c(=O)[nH]1)N[C@@H](C(F)F)C1CCCCC1
323004215	ZINC000561573160	ref	7.38	-6.91	0	225.376	3.508	1	1	5	C[C@H]1CC[C@@H]1NC(=O)CCCCC(C)(C)C
365621859	ZINC000274317205	ref	2.38	-13.86	0	281.308	1.081	1	5	7	C[C@H](Oc1cccc(OCCC2OCCO2)c1)C(N)=O
365621871	ZINC000274314740	ref	4.49	-9.07	0	274.729	1.752	0	6	2	COC(=O)c1sc(N2CCC(=O)CC2)nc1Cl
365621883	ZINC000274318325	ref	5.87	-18.69	0	293.319	1.831	0	5	6	CON(C)C(=O)CCCC(=O)c1ccc2c(c1)OCCO2
365621893	ZINC000274317900	ref	4.07	-37.71	1	289.423	1.621	2	2	6	CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C
365621907	ZINC000274317900	low	6.82	-112.59	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C
365621912	ZINC000274317900	low	6.89	-107.08	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C
365621922	ZINC000274313973	ref	3.95	-14.88	0	278.377	1.91	2	3	2	O=C1CCC[C@@H](C(=O)N[C@H]2CCCc3sccc32)N1
365621929	ZINC000274316240	ref	7.16	-60.17	1	298.39	1.557	1	3	2	Cc1nc2ccccc2n1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1
398246215	ZINC000651445540	ref	11.41	-9.29	0	267.332	3.476	0	4	3	Cc1c(CN(C)c2ncccn2)oc2c(C)cccc12
282120156	ZINC000533443381	ref	2.27	-23.64	0	251.286	1.18	1	4	3	CCC(=O)N1CC[C@@H](C(=O)Nc2ncc(C)o2)C1
282120160	ZINC000533443167	ref	4.72	-14.43	0	264.329	1.046	1	5	5	COCCC1(C(=O)N[C@H]2CCCn3ncnc32)CC1
282120169	ZINC000533444838	ref	4.29	-56.62	-1	286.339	1.183	1	4	4	C[C@H](Cn1cccn1)NC(=O)N=c1ccc(C2CC2)n[n-]1
365621939	ZINC000274316240	low	7.59	-86.96	2	298.39	1.557	1	2	2	Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1
282120174	ZINC000533444838	low	3.69	-20.9	0	286.339	1.183	2	4	4	C[C@H](Cn1cccn1)NC(=O)N=c1ccc(C2CC2)n[nH]1
365621947	ZINC000274315337	ref	4.48	-7.81	0	252.314	1.996	1	4	4	CC(C)O[C@@H]1C[C@@H](NC(=O)c2ccon2)C1(C)C
365621963	ZINC000274316147	ref	5.1	-11.82	0	296.33	1.898	1	5	3	O=C1CCN(c2ccc(C(=O)Nc3ccccc3)nn2)CC1
365621973	ZINC000274318609	ref	3.49	-10.82	0	278.308	1.553	2	5	4	COC(=O)[C@H](C)Nc1cc2c(cc1OC)CCC(=O)N2
282120179	ZINC000533444073	ref	4.78	-13.23	0	282.384	1.322	1	3	8	COCCC1(C(=O)NCCCN2CCCCC2=O)CC1
365621986	ZINC000274318054	ref	6.44	-20.54	0	292.379	1.557	1	4	5	CC(C)O[C@H]1C[C@H](NC(=O)Cn2ccccc2=O)C1(C)C
365621998	ZINC000274318357	ref	7.75	-8.61	0	279.384	1.974	0	5	3	Cn1cncc1CN1CCC[C@@H](C(=O)OC(C)(C)C)C1
365622003	ZINC000274318357	mid	9.5	-41.19	1	279.384	1.974	1	4	3	Cn1cncc1C[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1
365622008	ZINC000274318357	mid	10.0	-41.9	1	279.384	1.974	1	4	3	Cn1cncc1C[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1
365621865	ZINC000336542081	ref	5.8	-8.61	0	266.385	2.387	1	2	2	C[C@H]1CC2(CCC2)CN1C(=O)NC[C@@]1(C)CCOC1
365621870	ZINC000336541926	ref	5.94	-11.54	0	270.254	2.279	1	2	3	O=C1[C@@H](Nc2ccc(F)c(F)c2F)CCN1C1CC1
365621879	ZINC000336541890	ref	3.22	-13.38	0	259.309	2.187	3	2	2	C[C@H]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
398246219	ZINC000651447793	ref	8.37	-5.22	0	259.378	3.013	0	4	1	Cc1nsc(N2CCc3ccccc3[C@H](C)C2)n1
214189682	ZINC000293639696	ref	-0.87	-23.45	0	351.451	0.939	3	5	7	CNC(=O)NCCC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1
398246223	ZINC000651452094	ref	7.98	-43.99	1	274.408	3.47	1	2	4	CC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](c2cccnc2)C1
398246227	ZINC000651447575	ref	10.45	-9.51	0	298.415	3.265	0	5	1	Cc1cn2nc(N3CCc4ccccc4[C@H](C)C3)sc2n1
222609179	ZINC000170625852	mid	5.28	-25.76	0	364.405	3.373	2	7	2	Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3cnn(C)c3C)C2)c(=O)o1
199273149	ZINC000181262644	ref	10.88	-8.73	0	312.417	2.722	0	4	2	C[C@@H](C(=O)N1CCc2ccc(C(C)(C)C)cc2C1)n1cncn1
398246230	ZINC000651448110	ref	7.67	-5.03	0	271.364	3.359	0	4	2	CC(C)c1noc(N2CCc3ccccc3[C@H](C)C2)n1
365621887	ZINC000336542410	ref	8.01	-44.88	1	258.365	2.266	1	1	2	Cc1cc(C)cc(N(C)C(=O)[C@@H]2C[C@]23CC[NH2+]C3)c1
365621895	ZINC000336542572	ref	3.71	-12.3	0	260.272	2.246	2	3	3	Cc1cccc(NC(=O)NCc2cccnn2)c1F
365621904	ZINC000336542150	ref	8.78	-39.12	1	250.386	2.285	1	1	3	C[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1
365621917	ZINC000336542608	ref	4.14	-13.04	0	270.288	2.35	2	4	2	O=C1CC[C@@H](C(=O)Nc2ccccc2O)n2cccc21
365621923	ZINC000336542608	high	4.91	-41.47	-1	270.288	2.35	1	4	2	O=C1CC[C@@H](C(=O)Nc2ccccc2[O-])n2cccc21
365621930	ZINC000336541927	ref	5.92	-10.77	0	270.254	2.279	1	2	3	O=C1[C@H](Nc2ccc(F)c(F)c2F)CCN1C1CC1
365621937	ZINC000336542566	ref	8.31	-7.45	0	261.369	2.451	0	4	3	CC(C)[C@@H]1CCCN(c2nccn(C3CC3)c2=O)C1
365621951	ZINC000336542374	ref	3.54	-9.18	0	286.253	2.092	2	2	1	O=C(Nc1ccc(F)c(F)c1F)N1C[C@@H](O)C2(CC2)C1
342082303	ZINC000625331786	mid	6.09	-39.18	1	281.444	1.709	2	2	6	CCN(C[C@@H]1CCNC(=O)CC1)C[C@@H]1CCC[N@H+]1CC
365621958	ZINC000336542332	ref	7.81	-37.42	1	270.376	2.417	1	1	3	O=C([C@H]1CC[NH2+]1)N(C1CC1)[C@H]1CCCc2ccccc21
365621967	ZINC000336541874	ref	9.64	-94.39	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1
210256645	ZINC000428330217	low	1.11	-19.17	0	349.4	0.673	2	4	4	CC(C)(C)NC(=O)[C@H]1CSCN1S(=O)(=O)NCC(F)(F)F
214189686	ZINC000293639696	mid	1.55	-58.16	1	351.451	0.939	4	4	7	CNC(=O)NCCC(=O)NCC1CC[NH+](Cc2nc(C)c(C)o2)CC1
210256650	ZINC000428363279	ref	4.31	-14.55	0	325.409	0.859	2	4	7	CC(C)(O)CN(C(=O)CCCN1C(=O)NC(C)(C)C1=O)C1CC1
210256655	ZINC000428339071	ref	2.68	-31.13	0	329.466	0.986	2	3	4	CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCCN(C)C2=O)C1
210256660	ZINC000428342010	ref	1.02	-17.3	0	347.481	0.964	3	4	9	CCC1(CNC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1
210256666	ZINC000428369367	ref	-3.68	-16.43	0	330.454	0.513	1	6	6	Cc1nc(C(C)C)oc1CN1CCN(CCS(N)(=O)=O)CC1
210256671	ZINC000428369367	low	-0.91	-52.0	1	330.454	0.513	2	5	6	Cc1nc(C(C)C)oc1C[NH+]1CCN(CCS(N)(=O)=O)CC1
210256674	ZINC000428342185	ref	2.29	-13.23	0	342.417	0.547	1	6	7	COC(=O)[C@H]1CCC[C@@H]1S(=O)(=O)N(CCO)Cc1cccnc1
342082304	ZINC000625331522	ref	6.49	-37.05	1	278.404	1.314	1	5	7	CCN(Cc1nnnn1C1CC1)C[C@H]1CCC[N@@H+]1CC
210256679	ZINC000428356202	ref	2.74	-15.72	0	349.391	0.057	3	6	6	Cn1c(=O)[nH]c(=O)c2nc(CCC(=O)N(CC(C)(C)O)C3CC3)[nH]c21
343994339	ZINC000129383324	ref	5.86	-9.27	0	207.273	2.221	0	2	2	C[C@@H]1CC[C@@H](C)N1C(=O)Cc1ccoc1
343994344	ZINC000073769182	ref	1.35	-10.83	0	249.336	-0.653	0	3	4	CN(C)C(=O)CN(C)S(=O)(=O)N1CCCC1
210256694	ZINC000428372447	ref	-0.76	-16.81	0	349.478	0.36	3	4	9	CCc1cccc(S(=O)(=O)NCCNS(=O)(=O)NC(C)C)c1
210256699	ZINC000428331577	ref	-0.65	-45.37	-1	343.331	0.246	1	6	6	COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)[N-]CC(F)(F)F
365621872	ZINC000343691222	mid	2.02	-36.35	1	215.337	1.096	3	2	3	CC[C@@H]1C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@H]1O
214189690	ZINC000293640614	ref	3.31	-18.76	0	370.475	0.473	0	6	5	CCn1ccnc1[C@@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1
136228541	ZINC000182561829	ref	4.05	-21.93	0	244.36	1.137	1	2	7	C=CCN(CC=C)C(=O)N[C@H](C)C[S@@](C)=O
342082305	ZINC000625331522	mid	5.3	-44.76	1	278.404	1.314	1	5	7	CCN(Cc1nnnn1C1CC1)C[C@H]1CCC[N@H+]1CC
210256702	ZINC000428331577	low	0.06	-13.7	0	343.331	0.246	2	6	6	COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)NCC(F)(F)F
166172927	ZINC000038416041	ref	5.08	-5.65	0	171.24	2.039	0	2	2	C=CCN(C)C(=O)OC(C)(C)C
214189696	ZINC000293637699	ref	2.66	-18.49	0	362.386	0.347	3	6	5	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)oc(=O)n2C)C(C)C
343994350	ZINC000129384384	ref	5.26	-39.46	1	238.375	2.293	1	1	4	CC[C@@H]([NH3+])C(=O)N(C1CCC(C)CC1)C1CC1
365621878	ZINC000576541507	ref	2.09	-5.37	0	229.32	0.903	0	4	5	C[C@@H]1COCCN1CCOC[C@H]1CCCO1
282120157	ZINC000449149322	high	6.33	-55.59	-1	298.427	2.255	1	4	6	C[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
282120163	ZINC000449148963	ref	7.47	-37.32	1	258.431	2.117	1	2	8	CCSCC[C@H](C)N(C)C(=O)[C@H](C)[NH2+]C1CC1
365621885	ZINC000576541507	mid	3.79	-30.64	1	229.32	0.903	1	3	5	C[C@@H]1COCC[N@@H+]1CCOC[C@H]1CCCO1
365621892	ZINC000576541507	mid	4.28	-30.11	1	229.32	0.903	1	3	5	C[C@@H]1COCC[N@H+]1CCOC[C@H]1CCCO1
365621901	ZINC000175898568	ref	2.63	-10.6	0	228.317	1.861	0	4	3	CO[C@@H](C)c1nc(C)c(C(=O)N(C)C)s1
365621910	ZINC000576536545	ref	6.7	-7.32	0	247.338	2.5	0	2	3	CCc1ccccc1C(=O)N(C)C1CCOCC1
365621918	ZINC000175908124	ref	-0.67	-19.78	0	216.237	1.054	2	2	2	C[S@@](=O)c1ccc(NC(N)=O)cc1F
365621925	ZINC000576538281	ref	3.34	-19.55	0	246.27	1.092	2	4	4	C[C@H](CC#N)NC(=O)c1cc(=O)[nH]c(C2CC2)n1
365621933	ZINC000576538281	high	2.2	-51.33	-1	246.27	1.092	1	4	4	C[C@H](CC#N)NC(=O)c1cc(=O)[n-]c(C2CC2)n1
365621942	ZINC000576540476	ref	-1.18	-27.23	0	210.237	-0.585	2	4	2	C[C@@H](C(=O)NC(N)=O)N1CC(C)(C#N)C1
365621948	ZINC000576538345	ref	5.94	-8.85	0	246.314	1.343	1	3	1	C[C@@H]1CC[C@@H]1NC(=O)N1CCc2cncnc2C1
365621957	ZINC000343692147	ref	6.7	-43.09	1	244.338	1.955	2	2	4	CC[C@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@@H]1O
342082306	ZINC000625331525	ref	5.74	-45.88	1	278.404	1.314	1	5	7	CCN(Cc1nnnn1C1CC1)C[C@@H]1CCC[N@@H+]1CC
365621962	ZINC000343692147	mid	6.68	-43.3	1	244.338	1.955	2	2	4	CC[C@H]1C[N@@H+](Cc2ccc(CC#N)cc2)C[C@@H]1O
365621971	ZINC000576535026	ref	2.63	-14.08	0	234.263	0.469	3	4	4	C[C@@H](NC(=O)NCC1(C#N)CC1)c1nc[nH]n1
299072365	ZINC000358088475	low	8.34	-174.21	3	318.469	1.417	3	3	6	CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1
299072366	ZINC000358087290	ref	5.67	-12.42	0	308.765	1.55	0	3	3	COC1CN(C(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)C1
168365047	ZINC000044461730	high	2.51	-28.06	0	187.189	1.56	1	1	2	C[C@@H]([NH3+])Cc1cc(F)cc(F)c1[O-]
299072367	ZINC000358087030	ref	4.84	-41.94	1	306.406	1.859	2	3	8	CNC(=O)C[C@H](C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1
259308730	ZINC000020549296	ref	7.09	-32.37	1	242.451	3.377	1	1	8	CC(C)CC(CC(C)C)[NH2+]CC(C)(C)N(C)C
365621978	ZINC000576535026	mid	3.12	-15.26	0	234.263	0.469	3	4	4	C[C@@H](NC(=O)NCC1(C#N)CC1)c1nnc[nH]1
365621989	ZINC000175910412	ref	8.54	-11.41	0	242.326	2.425	0	4	7	C=CCCn1nnnc1CCCc1ccccc1
365622005	ZINC000576540554	ref	1.42	-9.23	0	209.245	0.709	2	3	5	O=C(CCc1ccco1)N[C@@H]1C[C@H]1CO
219048464	ZINC000286550721	ref	5.75	-11.38	0	317.393	2.124	1	6	6	CC(C)Oc1ccc(C(=O)N[C@H](c2nncn2C)C(C)C)cn1
219048467	ZINC000286550516	ref	9.04	-12.66	0	302.374	2.852	1	4	5	C[C@H](Cn1ccc2ccccc21)C(=O)NO[C@H]1CCCCO1
342082307	ZINC000625331525	mid	5.46	-48.15	1	278.404	1.314	1	5	7	CCN(Cc1nnnn1C1CC1)C[C@@H]1CCC[N@H+]1CC
342082308	ZINC000625331880	ref	4.06	-10.21	0	292.445	1.758	1	3	11	CCC[C@H](CNS(=O)(=O)N(CC)CC1CC1)OCC
219048472	ZINC000286550516	mid	8.48	-49.27	-1	302.374	2.852	0	4	5	C[C@H](Cn1ccc2ccccc21)C(=O)[N-]O[C@H]1CCCCO1
342082309	ZINC000625331270	ref	4.43	-37.0	1	266.389	1.938	1	4	7	CCc1noc(CN(CC)C[C@H]2CCC[N@@H+]2CC)n1
219048475	ZINC000286548930	ref	6.04	-22.61	0	319.38	2.151	1	2	2	Cc1cccc(C(=O)N2CC[C@H]3[C@@H](C2)NC(=O)N3C(C)C)c1F
259308733	ZINC000020549296	low	9.18	-109.87	2	242.451	3.377	2	0	8	CC(C)CC(CC(C)C)[NH2+]CC(C)(C)[NH+](C)C
219048480	ZINC000286549201	ref	4.55	-17.21	0	316.335	0.967	1	6	8	CC(=O)OCCCS(=O)(=O)NCc1ccccc1[N+](=O)[O-]
299072369	ZINC000358087030	high	3.61	-11.36	0	306.406	1.859	2	4	8	CNC(=O)C[C@H](C)NCc1ccc(OC[C@H]2CCCO2)cc1
342082310	ZINC000625331270	mid	4.66	-39.3	1	266.389	1.938	1	4	7	CCc1noc(CN(CC)C[C@H]2CCC[N@H+]2CC)n1
219048486	ZINC000286548879	ref	2.14	-16.03	0	319.409	0.406	2	5	5	CNc1ccc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)cn1
342082311	ZINC000625331270	high	2.49	-4.47	0	266.389	1.938	0	5	7	CCc1noc(CN(CC)C[C@H]2CCCN2CC)n1
219048490	ZINC000286548879	mid	4.33	-47.75	1	319.409	0.406	3	4	5	CNc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)cn1
342082312	ZINC000625331946	ref	0.7	-7.67	0	252.38	1.024	2	3	9	CCC[C@@H](CNS(=O)(=O)NC(C)C)OCC
342082313	ZINC000625331192	ref	7.04	-7.6	0	267.369	1.481	0	4	7	CCO[C@H](CN1CCO[C@@H](C(=O)C2CC2)C1)C1CC1
342082314	ZINC000625331192	mid	8.23	-38.66	1	267.369	1.481	1	3	7	CCO[C@H](C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)C1CC1
212170037	ZINC000335492976	ref	5.64	-8.42	0	251.301	2.431	1	2	2	Cc1c(F)cccc1C(=O)N[C@H]1CCOC1(C)C
342082315	ZINC000625331192	mid	8.56	-43.57	1	267.369	1.481	1	3	7	CCO[C@H](C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)C1CC1
212170045	ZINC000335492661	ref	4.66	-22.32	0	280.303	0.343	0	4	2	Cn1cc(N2CCN(C(=O)[C@]3(C)C[C@@H]3F)CC2=O)cn1
212170049	ZINC000335492637	ref	3.01	-13.69	0	265.284	2.461	2	3	3	C[C@@H](O)C(C)(C)NC(=O)c1coc2ccc(F)cc12
212170053	ZINC000335492878	ref	5.5	-39.12	1	252.308	2.151	2	1	3	Fc1ccc(F)c2c1CC[C@@H]2NC[C@H]1CC[NH2+]C1
365621880	ZINC000172804436	ref	4.45	-50.44	1	262.309	1.078	2	3	3	O=C1O[C@H](C[N@H+]2CC[C@H](O)C2)CN1c1ccccc1
342082316	ZINC000625331189	ref	6.14	-7.59	0	267.369	1.481	0	4	7	CCO[C@@H](CN1CCO[C@H](C(=O)C2CC2)C1)C1CC1
365621884	ZINC000172804436	mid	4.43	-49.75	1	262.309	1.078	2	3	3	O=C1O[C@H](C[N@@H+]2CC[C@H](O)C2)CN1c1ccccc1
365621890	ZINC000172804436	high	1.95	-16.39	0	262.309	1.078	1	4	3	O=C1O[C@H](CN2CC[C@H](O)C2)CN1c1ccccc1
365621896	ZINC000172812474	ref	6.39	-37.3	1	291.395	1.678	3	2	5	CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]c(C)cc1=O
365621902	ZINC000172812474	mid	4.86	-14.97	0	291.395	1.678	3	2	5	CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1c[nH]c(C)cc1=O
365621908	ZINC000172812474	high	4.86	-14.97	0	291.395	1.678	2	3	5	CC[C@@H]1CCCCN1CCNC(=O)c1c[nH]c(C)cc1=O
365621915	ZINC000172804564	ref	6.37	-36.23	1	287.407	1.473	2	2	4	O=C(CN1CC[N@@H+]2CCCC[C@@H]2C1)NCc1ccccc1
365621924	ZINC000172804564	mid	6.25	-35.48	1	287.407	1.473	2	2	4	O=C(CN1CC[N@H+]2CCCC[C@@H]2C1)NCc1ccccc1
365621928	ZINC000172804564	mid	4.01	-7.78	0	287.407	1.473	1	3	4	O=C(CN1CCN2CCCC[C@@H]2C1)NCc1ccccc1
365621936	ZINC000172804462	ref	5.4	-46.23	1	275.304	1.786	2	4	3	COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](O)C3)ccc2o1
398246220	ZINC000191986189	ref	7.07	-9.69	0	222.288	2.411	0	4	5	C=C[C@](C)(CC)C(=O)Oc1cnn(CC)c1
365621943	ZINC000172804462	mid	5.39	-46.72	1	275.304	1.786	2	4	3	COC(=O)c1cc2cc(C[N@H+]3CC[C@H](O)C3)ccc2o1
365621946	ZINC000172804462	high	2.96	-9.08	0	275.304	1.786	1	5	3	COC(=O)c1cc2cc(CN3CC[C@H](O)C3)ccc2o1
214189687	ZINC000337634892	ref	3.76	-8.5	0	287.356	0.577	1	5	9	CCOC(=O)C1(C(=O)N(CC)CCOCCO)CCC1
398246226	ZINC000285151069	ref	2.19	-13.57	0	235.287	0.703	2	2	5	CN(CCC(N)=O)C(=O)NCc1ccccc1
365621955	ZINC000172811499	ref	5.96	-44.0	1	278.352	1.714	2	3	5	C[N@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)O
214189691	ZINC000337633625	ref	0.92	-13.18	0	292.339	0.608	3	4	6	O=C(CC1CCCC1)NCCNC(=O)c1ccc(=O)[nH]n1
365621961	ZINC000172811499	mid	4.12	-11.4	0	278.352	1.714	2	3	5	C[N@@H+](C[C@@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)O
136228542	ZINC000283275762	ref	5.39	-10.54	0	244.285	1.198	0	2	3	CC#CC(=O)N1CCN(CC(F)F)[C@H](CC)C1
214189693	ZINC000337636235	ref	9.22	-9.62	0	281.425	2.433	0	4	5	CSCC[C@@H](C)N(C)C(=O)c1cn2c(n1)CCCC2
365621968	ZINC000172811499	high	4.12	-11.4	0	278.352	1.714	1	4	5	CN(C[C@@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)O
214189688	ZINC000278492522	ref	7.63	-11.52	0	308.397	3.171	1	2	4	CC(C)N(Cc1ccccc1F)C(=O)N[C@@H]1CCOC[C@H]1C
210256609	ZINC000004711872	ref	6.47	-51.27	1	327.787	1.51	2	2	5	C[NH+](C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1
214189692	ZINC000278492127	ref	8.59	-47.88	1	312.816	3.012	1	1	6	CCC(=O)N1CC[C@@H]([NH2+]CCCc2c(F)cccc2Cl)C1
214189695	ZINC000278493918	ref	4.45	-8.09	0	317.776	2.946	1	4	3	COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cnc(Cl)cn1
214189697	ZINC000278493178	ref	6.61	-16.27	0	302.353	2.736	1	3	5	CC(C)N(Cc1ccccc1F)C(=O)NCc1cccnn1
178291638	ZINC000236986416	ref	2.73	-56.5	1	355.504	1.504	3	3	9	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
214189701	ZINC000278493824	ref	7.08	-10.83	0	318.461	3.435	2	2	7	Cc1ccc([C@H]2C[C@H](C)N(C(=O)NCCCCCCO)C2)cc1
282120158	ZINC000248949746	ref	3.67	-12.18	0	316.329	1.228	1	4	3	C[C@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1CO
178291644	ZINC000236986416	high	2.51	-15.32	0	355.504	1.504	3	4	9	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1CS(=O)(=O)NC(C)C
210256615	ZINC000004711872	high	4.0	-15.59	0	327.787	1.51	1	3	5	CN(C)CCNC(=O)[C@H]1CC(=O)N(c2ccc(F)c(Cl)c2)C1
214189709	ZINC000278492964	ref	5.1	-8.77	0	323.368	1.867	2	4	4	CC(C)O[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(F)cn2)C1(C)C
210256618	ZINC000004710104	ref	11.11	-19.91	0	345.427	4.665	1	4	4	Cc1ccnc(NC(=O)c2ccccc2Sc2ccccc2C#N)c1
214189710	ZINC000278493822	ref	7.71	-9.44	0	307.35	1.572	1	5	5	C[C@H]1COCC[C@H]1NC(=O)CN(C)c1ccccc1[N+](=O)[O-]
178291648	ZINC000236992727	ref	6.96	-50.84	1	357.462	1.359	3	6	8	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1
214189714	ZINC000278492853	ref	8.53	-40.11	1	303.431	2.793	2	3	5	c1ccc(C[N@@H+]2CCCO[C@@H](CSc3ncc[nH]3)C2)cc1
214189716	ZINC000278492853	mid	8.34	-42.73	1	303.431	2.793	2	3	5	c1ccc(C[N@H+]2CCCO[C@@H](CSc3ncc[nH]3)C2)cc1
398246221	ZINC000179905442	mid	6.22	-35.68	1	240.391	2.4	2	1	7	CCC[C@H](C)C[N@H+]1CCC[C@H](CCC(N)=O)C1
210256628	ZINC000004711941	ref	9.16	-47.69	1	349.519	2.55	2	2	6	O=C(NCCC[NH+]1CCCCC1)[C@H]1CC(=O)N(C2CCCCCC2)C1
210256635	ZINC000004710525	ref	11.13	-15.58	0	340.426	5.108	1	3	1	Cc1ccccc1[C@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21
214189718	ZINC000278492853	high	6.32	-6.91	0	303.431	2.793	1	4	5	c1ccc(CN2CCCO[C@@H](CSc3ncc[nH]3)C2)cc1
210256641	ZINC000004713302	ref	10.2	-57.31	-1	341.407	3.584	1	4	7	COc1ccccc1NC(=O)[C@@H](CC(=O)[O-])Cc1cc(C)cc(C)c1
210256648	ZINC000004712072	ref	11.0	-6.03	0	340.224	4.686	1	3	4	Brc1ccc(-n2cccc2C=NNc2ccccc2)cc1
210256654	ZINC000004713941	ref	12.47	-12.56	0	331.44	5.496	0	3	3	CCN1/C(=C/C(=O)c2ccccc2)Sc2ccc3ccccc3c21
210256658	ZINC000004714230	ref	8.08	-4.54	0	347.196	4.42	1	2	6	CCCCCCOC(=O)Nc1ccccc1I
210256663	ZINC000004713652	ref	1.98	-11.43	0	329.441	1.552	3	4	7	CC(C)C[C@@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O
210256665	ZINC000004714211	ref	8.21	-6.56	0	342.852	2.458	1	6	6	CCCCSc1nc2c(c(=O)[nH]c(=O)n2C)n1C/C=C(/C)Cl
168365048	ZINC000044679426	ref	2.55	-88.89	2	183.299	0.16	3	1	4	C[C@@H]([NH3+])CN[C@@H]1CC[N@@H+](C2CC2)C1
210256670	ZINC000004714152	ref	10.59	-64.61	-1	336.347	4.12	1	5	3	O=C([O-])c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21
398246222	ZINC000390775824	ref	2.52	-37.75	1	223.345	1.327	1	3	2	c1ncc(CN2CC[C@H]3CC[NH2+][C@H]3C2)s1
210256675	ZINC000004714252	ref	11.17	-65.96	-1	340.291	2.407	0	6	5	O=C([O-])C[C@@H](c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O
210256680	ZINC000004710593	ref	10.39	-15.67	0	327.438	3.694	1	7	2	Cc1ccc(NC2=Nn3c(nnc3-c3cccs3)SC2)cc1
210256686	ZINC000004712918	ref	9.33	-7.55	0	329.183	4.125	1	3	4	CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-]
214189698	ZINC000337632546	ref	3.27	-13.64	0	283.356	3.007	2	4	4	NC(=O)c1ccc(CNc2ccc3scnc3c2)cc1
282120162	ZINC000321624495	ref	2.81	-58.05	-1	342.417	1.215	2	5	8	CCC(CC)(CNS(=O)(=O)c1ccc(C(=O)NC)cc1)C(=O)[O-]
214189702	ZINC000337632656	ref	10.25	-15.8	0	293.33	2.477	1	5	4	CCc1cccnc1NC(=O)c1ccc(-n2cncn2)cc1
398246225	ZINC000650439139	ref	5.47	-12.31	0	239.344	2.724	2	3	4	CC[C@H](C)NC(=O)Nc1ncccc1SC
365621891	ZINC000625031742	ref	9.09	-10.83	0	304.434	2.428	0	2	3	O=C(CC1CCCCC1)N1CCN(C(=O)C23CC(C2)C3)CC1
398246228	ZINC000157379075	ref	5.63	-40.39	1	238.375	2.071	2	1	2	CC1CCC(C)(NC(=O)[C@@H]2CCC[NH2+]C2)CC1
398246231	ZINC000157377813	ref	6.35	-41.67	1	236.359	1.777	1	1	2	O=C([C@@H]1CCC[NH2+]C1)N1CCC[C@@H]1C1CCC1
178291656	ZINC000066346194	ref	1.83	-11.73	0	211.286	1.367	1	3	1	Cc1cc2c(cc1S(C)(=O)=O)CCN2
398246234	ZINC000390771419	ref	3.1	-87.39	2	211.353	0.527	2	1	4	C[NH2+]C[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1
398246239	ZINC000390771419	low	5.34	-176.31	3	211.353	0.527	3	0	4	C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1
342082317	ZINC000625331189	mid	8.8	-44.0	1	267.369	1.481	1	3	7	CCO[C@@H](C[N@@H+]1CCO[C@H](C(=O)C2CC2)C1)C1CC1
365621903	ZINC000625031890	ref	6.28	-17.51	0	319.449	2.408	2	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1
365621911	ZINC000625028208	ref	4.18	-14.62	0	322.405	2.024	2	4	8	CC(C)COC[C@H](NC(=O)[C@H](C)[C@H]1CCC(=O)N1)c1ccco1
365621921	ZINC000625027889	ref	6.81	-10.11	0	317.476	2.367	0	4	9	CCO[C@@H](CS(=O)(=O)N(C)CCc1cccs1)C1CC1
365621932	ZINC000625029624	ref	6.12	-15.82	0	305.403	2.11	0	4	3	Cc1ncc(S(=O)(=O)N2C[C@@H](C)[C@H]2c2ccccc2)n1C
365621940	ZINC000625030945	ref	6.64	-13.46	0	305.374	2.45	1	4	6	COc1cccc2c1OCC[C@H]2NC(=O)[C@@H](C)OCC1CC1
365621950	ZINC000625029303	ref	7.35	-18.84	0	313.401	2.426	1	2	2	C[C@H]1c2ccccc2CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
365621960	ZINC000625030082	ref	4.12	-13.09	0	321.389	2.098	1	3	8	CO[C@@H](CNS(=O)(=O)CCc1c(F)cccc1F)C(C)C
365621969	ZINC000625029837	ref	5.34	-10.99	0	301.383	2.327	0	3	5	CO[C@@H](CS(=O)(=O)N1CCC[C@H]1C)c1ccc(F)cc1
342082318	ZINC000625331189	mid	8.38	-39.08	1	267.369	1.481	1	3	7	CCO[C@@H](C[N@H+]1CCO[C@H](C(=O)C2CC2)C1)C1CC1
342082319	ZINC000625331774	ref	2.42	-8.69	0	297.362	1.527	2	5	4	CNc1cnc(C(=O)N[C@H]2CCN(c3ccccc3)C2)cn1
178291655	ZINC000082783711	ref	4.69	-6.39	0	270.126	1.809	1	3	1	COC(=O)[C@H]1NCCc2c(Br)cccc21
365621977	ZINC000625028596	ref	7.29	-20.17	0	305.422	2.138	1	2	4	C=CC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365621984	ZINC000625029627	ref	6.22	-14.89	0	305.403	2.11	0	4	3	Cc1ncc(S(=O)(=O)N2C[C@H](C)[C@H]2c2ccccc2)n1C
342082320	ZINC000625331164	ref	2.33	-10.39	0	299.392	1.082	1	4	6	COC[C@@H](C)S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
365621991	ZINC000625029904	ref	3.25	-10.82	0	318.377	2.255	2	6	8	CNc1cnc(C(=O)N[C@H](COCC(C)C)c2ccco2)cn1
365621999	ZINC000625031353	ref	7.57	-11.53	0	318.425	2.331	1	6	8	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CC[C@@H](CC)C1
365622010	ZINC000625028494	ref	4.15	-18.17	0	304.39	2.077	2	3	3	Cc1cccc(O)c1C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1
185091464	ZINC000096081156	ref	2.53	-12.46	0	294.376	0.9	1	3	3	CCc1ccc(S(=O)(=O)N2CC[C@H]3NC(=O)C[C@@H]32)cc1
342082321	ZINC000625331667	ref	6.91	-18.05	0	269.304	1.942	1	3	1	C[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)[nH]cn1
342082322	ZINC000625331667	high	5.75	-42.34	-1	269.304	1.942	0	3	1	C[C@@H]1c2ccccc2CCN1C(=O)c1cc(=O)[n-]cn1
342598019	ZINC000590809247	ref	5.07	-11.99	0	256.309	1.675	2	2	4	O=C(CCc1cccnc1)N=c1cc(C2CC2)[nH][nH]1
342598020	ZINC000590808203	ref	5.8	-9.57	0	268.357	1.817	2	3	5	COC(=O)C1(CNC(=O)N[C@H](C)C2CC2)CCCC1
365621926	ZINC000354679185	mid	5.55	-41.61	1	288.391	1.363	3	2	5	C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2C[C@H]2c2ccccc2)C1
178291649	ZINC000237000929	ref	7.17	-67.39	-1	363.389	1.724	3	4	8	CCC[C@H](NC(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)C(=O)[O-]
365621935	ZINC000354679185	high	3.02	-8.43	0	288.391	1.363	2	3	5	CN1CC[C@](O)(CNC(=O)C[C@H]2C[C@H]2c2ccccc2)C1
365621952	ZINC000354679059	ref	2.56	-14.65	0	279.292	1.538	2	5	4	COC(=O)[C@@H]1CC[C@H]1C(=O)Nc1cc(O)cc(OC)c1
365621959	ZINC000354679409	ref	3.14	-12.05	0	288.335	1.864	2	3	8	COC[C@H](C)CNC(=O)NCCSCC(F)(F)F
365621970	ZINC000354680451	ref	1.44	-12.36	0	281.352	1.747	3	4	8	CC[C@@H](O)CCCNC(=O)[C@@H](OC)c1ccc(O)cc1
365621975	ZINC000367178991	ref	4.96	-44.22	1	282.413	1.92	1	5	4	CO[C@H](C)c1nsc(N2CC[C@@H]([NH+]3CCCC3)C2)n1
178291653	ZINC000236997585	ref	5.12	-55.66	1	367.515	1.979	2	3	8	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1
365621985	ZINC000367178991	high	2.58	-6.51	0	282.413	1.92	0	6	4	CO[C@H](C)c1nsc(N2CC[C@@H](N3CCCC3)C2)n1
365621993	ZINC000354679363	ref	7.71	-49.82	1	286.383	1.629	1	5	4	CC(C)[NH2+]C1CCN(c2nnnn2-c2ccccc2)CC1
365622009	ZINC000354680169	ref	2.9	-15.31	0	294.42	1.144	1	3	5	C[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)N(C)Cc1ccccc1
178291657	ZINC000237001549	ref	1.78	-53.91	1	359.517	1.391	2	4	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
365622017	ZINC000354680169	mid	5.14	-47.67	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)[N@H+](C)Cc1ccccc1
214189699	ZINC000053608840	ref	7.22	-44.69	1	330.144	3.443	1	2	7	C[N@H+](CCCOCC(F)(F)F)Cc1ccc(Br)o1
214189700	ZINC000053608840	mid	7.28	-44.7	1	330.144	3.443	1	2	7	C[N@@H+](CCCOCC(F)(F)F)Cc1ccc(Br)o1
178291661	ZINC000237001549	high	1.45	-15.33	0	359.517	1.391	2	5	6	CC[C@H](C)[C@H](N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
178291664	ZINC000237000411	ref	7.02	-89.11	2	353.47	1.54	3	3	6	CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])c3ccccc3)cn2)CC1
365622022	ZINC000354680169	mid	5.13	-48.8	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@@H]1CC[S@](=O)C1)[N@@H+](C)Cc1ccccc1
214189704	ZINC000053608840	high	4.96	-6.94	0	330.144	3.443	0	3	7	CN(CCCOCC(F)(F)F)Cc1ccc(Br)o1
365622025	ZINC000354681414	ref	1.48	-13.66	0	290.41	1.512	1	4	4	CC(C)[C@H](C)N(C)C(=O)c1ccc(S(N)(=O)=O)s1
342598021	ZINC000364840915	ref	6.56	-39.13	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1
299072370	ZINC000358088478	ref	3.84	-40.01	1	318.469	1.417	2	5	6	CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)C1
365621927	ZINC000623049355	ref	0.5	-16.43	0	318.337	1.518	2	7	4	Cc1noc([C@@H]2CC[C@H](CNC(=O)Nc3ccnnc3C)O2)n1
282120165	ZINC000248954712	ref	6.0	-22.59	0	309.435	1.905	0	4	5	CC[C@@H]1CCCCN1C(=O)[C@@H](C)[S@](=O)Cc1ncccn1
365621938	ZINC000623045547	ref	4.9	-14.87	0	303.353	1.732	2	2	5	O=C(CN1CCCNC1=O)N[C@@H](C(F)F)C1CCCCC1
365621949	ZINC000623045260	ref	5.43	-6.26	0	315.32	1.674	2	4	4	Cc1cc(NC(=O)C(=O)N[C@@H](C(F)F)C2CCCCC2)no1
342598022	ZINC000364840915	mid	7.41	-39.41	1	251.374	1.831	2	1	3	C=C(C)CN(C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1
342598023	ZINC000364840770	ref	6.61	-34.68	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1
342598024	ZINC000364840770	mid	6.57	-34.99	1	280.412	1.768	1	2	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1
342598025	ZINC000364840770	high	4.09	-11.05	0	280.412	1.768	0	3	5	C=C[C@](C)(CCOC)C(=O)N1CC[C@H]2CCN(C)[C@H]2C1
197596477	ZINC000290102884	ref	7.23	-43.36	1	294.826	2.777	2	1	6	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCc1ccc(Cl)cc1
342598026	ZINC000590808289	ref	4.85	-9.62	0	298.383	1.446	2	4	6	CCC1(CNC(=O)NCC2(C(=O)OC)CCCC2)COC1
342598027	ZINC000364841041	ref	2.9	-10.35	0	296.411	1.148	0	4	6	C=C[C@](C)(CCOC)C(=O)N1CCN([C@H]2CCOC2)CC1
365621956	ZINC000623046409	ref	1.33	-22.42	0	310.366	1.008	2	3	4	O=C(N[C@@H](C(F)F)C1CCCCC1)[C@@H]1CCS(=O)(=O)N1
365621965	ZINC000623046816	ref	3.98	-56.49	-1	300.362	1.904	1	4	1	Cc1[nH]nc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1[O-]
365621972	ZINC000623046816	low	3.2	-10.99	0	300.362	1.904	2	4	1	Cc1[nH]nc(C(=O)N2Cc3ccccc3N(C)C[C@@H]2C)c1O
365621982	ZINC000623048881	ref	1.73	-14.86	0	307.31	1.138	2	7	4	Cc1noc([C@H]2CC[C@@H](CNC(=O)Nc3cc(C)on3)O2)n1
342598028	ZINC000364841041	low	5.03	-47.31	1	296.411	1.148	1	3	6	C=C[C@](C)(CCOC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1
342598029	ZINC000590809139	ref	3.03	-12.15	0	273.296	1.652	3	4	3	Cc1n[nH]c(=O)c(C(=O)Nc2cc(C3CC3)[nH]n2)c1C
199273155	ZINC000181260439	ref	7.51	-11.89	0	309.41	2.482	1	5	7	CCC(CC)n1nc(C)cc1C(=O)NCC(C)(C)C(=O)OC
342598030	ZINC000590807550	ref	3.68	-20.17	0	288.351	1.443	3	3	5	CNC(=O)C[C@H](C)NC(=O)N[C@@H](C)c1cccc(C#N)c1
323004216	ZINC000126728548	ref	8.92	-47.07	1	230.355	3.147	1	1	6	CC[C@H](Cc1ccccc1)[NH2+]CC(C)(C)C#N
398246224	ZINC000350869405	ref	2.83	-7.02	0	233.315	1.593	2	3	4	CC[C@H]1CCC[C@H]1Nc1ccnc(C(N)=O)c1
398246229	ZINC000179907592	ref	3.85	-7.3	0	230.333	2.495	0	5	7	CC[C@H](C)CSCc1nc(COC)no1
398246232	ZINC000350869410	ref	2.57	-7.0	0	233.315	1.593	2	3	4	CC[C@H]1CCC[C@@H]1Nc1ccnc(C(N)=O)c1
398246235	ZINC000179907539	ref	6.72	-43.79	1	246.42	1.834	2	2	9	CC[C@@H](C)CSCC(=O)NCCC[NH+](C)C
398246238	ZINC000179907551	ref	6.73	-43.77	1	246.42	1.834	2	2	9	CC[C@H](C)CSCC(=O)NCCC[NH+](C)C
214189703	ZINC000293649222	ref	3.43	-20.37	0	358.42	0.684	2	8	9	COC(=O)[C@H](CNC(=O)CCC(=O)Nc1nnc(C(C)C)s1)OC
398246240	ZINC000350760179	ref	1.39	-12.68	0	231.19	1.661	1	5	2	Fc1ccc(-c2noc(-c3cc[nH]n3)n2)nc1
398246249	ZINC000350892407	ref	-0.14	-10.33	0	236.337	-0.114	1	3	4	CCN(CC)S(=O)(=O)N1C[C@H](C)[C@H](O)C1
398246255	ZINC000179908341	ref	6.07	-15.72	0	239.278	2.701	2	2	3	CCc1cccc(NC(=O)c2c[nH]c(C#N)c2)c1
398246261	ZINC000179908612	ref	5.64	-10.6	0	247.685	2.691	1	3	2	Cc1cncc(C(=O)Nc2ncccc2Cl)c1
214189707	ZINC000293641815	ref	2.62	-19.77	0	374.441	0.794	4	4	7	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(C(=O)NC2CC2)c1)C(C)C
214189712	ZINC000293645794	ref	5.44	-17.24	0	354.357	0.878	2	6	7	CC[C@H](NC(=O)CCn1ncn(C)c1=O)[C@H](O)c1c(F)cccc1F
398246266	ZINC000350898141	ref	-1.65	-10.29	0	237.321	-0.336	1	4	4	COC[C@H](C)S(=O)(=O)N1C[C@H](C)[C@@H](O)C1
398246275	ZINC000179907575	ref	3.85	-7.28	0	230.333	2.495	0	5	7	CC[C@@H](C)CSCc1nc(COC)no1
365621931	ZINC000121831832	ref	9.32	-42.77	1	289.423	2.485	2	1	5	CCN(CC)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1
365621941	ZINC000121831832	mid	9.26	-43.65	1	289.423	2.485	2	1	5	CCN(CC)C(=O)NC[C@@H](C)[N@H+]1CCc2ccccc2C1
398246278	ZINC000153455599	ref	6.42	-16.85	0	247.048	1.539	0	4	2	CCn1cc(Br)cc([N+](=O)[O-])c1=O
398246289	ZINC000350863577	ref	2.89	-15.68	0	237.303	0.95	1	4	5	CC(C)(C)OCC(=O)NCCc1cnccn1
365621945	ZINC000121831832	mid	7.22	-8.16	0	289.423	2.485	1	2	5	CCN(CC)C(=O)NC[C@@H](C)N1CCc2ccccc2C1
168365050	ZINC000044679426	mid	2.43	-87.25	2	183.299	0.16	3	1	4	C[C@@H]([NH3+])CN[C@@H]1CC[N@H+](C2CC2)C1
168365052	ZINC000044679426	mid	1.23	-122.23	2	183.299	0.16	2	1	4	C[C@@H]([NH3+])C[NH2+][C@@H]1CCN(C2CC2)C1
349535970	ZINC000258988730	mid	5.72	-9.78	0	227.311	2.522	2	2	5	Cc1[nH]c2ccccc2c1CCNCCC#N
343994343	ZINC000599271250	mid	4.48	-46.25	1	296.411	1.559	2	4	6	C[N@H+](C[C@@H]1CCCCO1)C[C@H](O)CC1(C#N)CCOCC1
398246295	ZINC000179907318	ref	8.39	-9.78	0	249.329	3.899	1	1	2	Cc1cccc(F)c1NC(=O)[C@@H]1CCC[C@H](C)C1
343994345	ZINC000079928586	ref	3.09	-8.83	0	259.309	2.114	1	5	7	COCCOc1ccc(CNc2ccccn2)cn1
365621954	ZINC000121832618	ref	5.45	-17.75	0	286.375	2.217	2	2	5	C=CC(=O)NCCC(=O)N[C@H]1CC(C)(C)c2ccccc21
365621966	ZINC000121842885	ref	2.74	-10.12	0	297.42	2.133	2	3	4	Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H](O)C2)cc1C
365621979	ZINC000121836216	ref	5.94	-41.6	1	290.407	2.268	2	2	6	CC[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)Oc1cccc(C)c1
365621987	ZINC000121836456	ref	3.82	-14.18	0	292.379	2.105	2	3	8	CC(C)C[C@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1
365621996	ZINC000121840611	ref	2.66	-8.6	0	252.314	2.127	2	3	3	Cc1ccc([C@H](C)NC(=O)N[C@]2(C)CCOC2)o1
365622004	ZINC000121840017	ref	1.73	-6.51	0	277.151	2.279	2	3	4	CC[C@](C)(O)CNC(=O)c1cc(Cl)ncc1Cl
342082323	ZINC000625331775	ref	7.47	-35.16	1	281.404	1.442	1	5	7	CCN(Cc1nc(N(C)C)no1)C[C@H]1CCC[N@@H+]1CC
365622018	ZINC000121835586	ref	1.38	-6.55	0	277.151	2.279	2	3	4	CC[C@](C)(CO)NC(=O)c1cc(Cl)ncc1Cl
365622032	ZINC000121832611	ref	5.54	-13.76	0	295.383	2.159	2	4	6	Cc1[nH]nc(C(C)C)c1C(=O)NC[C@@H](C)C(=O)OC(C)C
342082324	ZINC000625331775	mid	6.34	-39.69	1	281.404	1.442	1	5	7	CCN(Cc1nc(N(C)C)no1)C[C@H]1CCC[N@H+]1CC
365622038	ZINC000121832611	mid	5.54	-13.22	0	295.383	2.159	2	4	6	Cc1n[nH]c(C(C)C)c1C(=O)NC[C@@H](C)C(=O)OC(C)C
197596494	ZINC000162855284	ref	8.4	-16.77	0	319.434	2.593	1	6	6	CCS[C@H](C(=O)Nc1cncc(-c2nncn2C)c1)C(C)C
197596496	ZINC000162858239	ref	8.45	-6.51	0	314.429	3.396	2	2	5	O=C(NCC1(C2CC2)CCC1)N[C@@H]1CCO[C@@H]1c1ccccc1
342082325	ZINC000625331775	high	5.46	-6.21	0	281.404	1.442	0	6	7	CCN(Cc1nc(N(C)C)no1)C[C@H]1CCCN1CC
342082326	ZINC000625332043	ref	7.34	-37.43	1	264.373	1.249	1	4	6	Cn1cc(CC[N@@H+]2CCC[C@@H](OCC3CC3)C2)nn1
342082327	ZINC000625332043	mid	7.13	-42.07	1	264.373	1.249	1	4	6	Cn1cc(CC[N@H+]2CCC[C@@H](OCC3CC3)C2)nn1
342082328	ZINC000625332043	high	4.89	-10.86	0	264.373	1.249	0	5	6	Cn1cc(CCN2CCC[C@@H](OCC3CC3)C2)nn1
342082329	ZINC000625331769	ref	5.42	-43.22	1	265.405	1.604	1	4	7	CCN(Cc1cnnn1CC)C[C@H]1CCC[N@@H+]1CC
342082330	ZINC000625331769	mid	5.11	-45.13	1	265.405	1.604	1	4	7	CCN(Cc1cnnn1CC)C[C@H]1CCC[N@H+]1CC
342082331	ZINC000032481611	ref	2.19	-12.47	0	295.335	1.956	2	5	5	COc1cc(NC(=O)C2(O)CCCC2)cc(OC)c1OC
342082332	ZINC000625331546	ref	3.78	-32.95	1	269.433	1.125	1	3	7	CCN(CCN1CCOCC1)C[C@@H]1CCC[N@@H+]1CC
210256689	ZINC000004712222	ref	10.67	-10.17	0	331.165	4.553	0	3	2	CC1=C/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1
214189706	ZINC000337637149	ref	9.31	-10.86	0	297.345	3.226	0	2	4	CC[C@@H](C)OCC(=O)N1CCc2c(F)cc(F)cc2[C@@H]1C
214189711	ZINC000337632868	ref	6.33	-15.31	0	273.332	3.36	1	3	5	CCC[C@@H]1C[C@H]1NC(=O)c1coc2ccc(OC)cc12
342082333	ZINC000625331546	mid	3.59	-31.1	1	269.433	1.125	1	3	7	CCN(CCN1CCOCC1)C[C@@H]1CCC[N@H+]1CC
342082334	ZINC000625331546	low	6.23	-89.19	2	269.433	1.125	2	2	7	CCN(CC[NH+]1CCOCC1)C[C@@H]1CCC[N@@H+]1CC
342082335	ZINC000625331546	low	6.03	-90.75	2	269.433	1.125	2	2	7	CCN(CC[NH+]1CCOCC1)C[C@@H]1CCC[N@H+]1CC
342082336	ZINC000625331785	ref	5.25	-44.42	1	281.444	1.709	2	2	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@H]1CCNC(=O)CC1
342082337	ZINC000625331785	mid	5.26	-43.61	1	281.444	1.709	2	2	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H]1CCNC(=O)CC1
342082338	ZINC000625331785	mid	5.57	-39.33	1	281.444	1.709	2	2	6	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H]1CCNC(=O)CC1
342082339	ZINC000625331785	mid	6.54	-37.5	1	281.444	1.709	2	2	6	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H]1CCNC(=O)CC1
214189715	ZINC000337634298	ref	-2.44	-15.79	0	290.323	-0.144	5	3	6	NC(=O)N[C@H](CO)C(=O)NCCc1cccc2[nH]ccc12
210256695	ZINC000004714047	ref	10.58	-7.45	0	342.192	4.102	0	3	2	Cc1ccccc1C1=N/C(=C\c2cccc(Br)c2)C(=O)O1
343994346	ZINC000599271250	high	2.02	-10.7	0	296.411	1.559	1	5	6	CN(C[C@@H]1CCCCO1)C[C@H](O)CC1(C#N)CCOCC1
210256757	ZINC000000642822	ref	6.45	-13.72	0	356.245	2.624	1	4	1	CC(=O)NC1=NN(C(C)=O)[C@](C)(c2cccc(Br)c2)S1
210256257	ZINC000004712795	ref	7.37	-22.81	0	328.332	2.168	2	7	4	Cc1[nH]nc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1[N+](=O)[O-]
214189720	ZINC000337635717	ref	2.52	-9.93	0	283.372	0.866	2	3	4	CN(C(=O)CNC(=O)N[C@H]1CCOC1)C1CCCCC1
210256270	ZINC000004712167	ref	5.4	-46.28	1	347.525	1.286	2	3	10	CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[NH+](CC)CC)C1
210256279	ZINC000004714579	ref	12.72	-12.93	0	338.419	1.913	0	8	5	c1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccn1
342082340	ZINC000625331375	ref	2.8	-10.07	0	264.716	1.653	1	5	2	Oc1ccc(Cl)c(CN2CCn3ncnc3C2)c1
349535693	ZINC000621246052	ref	4.17	-97.61	2	286.379	2.127	2	3	5	[NH3+]Cc1ccc(-c2noc(CC[C@H]3CCC[NH2+]C3)n2)cc1
342082341	ZINC000625331375	high	3.57	-41.59	-1	264.716	1.653	0	5	2	[O-]c1ccc(Cl)c(CN2CCn3ncnc3C2)c1
214189724	ZINC000337634504	ref	0.98	-14.16	0	260.334	0.206	2	4	7	CN(CCOCCO)C(=O)NC[C@H]1CCCCO1
282120166	ZINC000449148963	high	6.34	-7.3	0	258.431	2.117	1	3	8	CCSCC[C@H](C)N(C)C(=O)[C@H](C)NC1CC1
178291667	ZINC000237000411	mid	6.7	-43.13	1	353.47	1.54	3	4	6	CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](N)c3ccccc3)cn2)CC1
365621964	ZINC000617371736	ref	2.6	-14.17	0	268.313	0.775	1	5	6	COC[C@@H](NC(=O)Cc1ccon1)C1CCOCC1
178291671	ZINC000237000411	high	4.33	-9.39	0	353.47	1.54	2	5	6	CCN1CCN(c2ccc(CNC(=O)[C@H](N)c3ccccc3)cn2)CC1
178291672	ZINC000236987382	ref	3.89	-52.63	1	353.488	1.493	2	3	8	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]([NH3+])C2CC2)c1
365621974	ZINC000617373568	ref	5.99	-20.69	0	264.325	0.876	0	4	4	CCOC1CCN(C(=O)Cn2ccccc2=O)CC1
178291679	ZINC000237000864	ref	7.19	-58.57	-1	356.18	1.116	1	7	5	CC[C@H](C)[C@H](NC(=O)c1nc2ncc(Br)cn2n1)C(=O)[O-]
365621983	ZINC000617371307	ref	2.34	-7.27	0	259.346	0.971	1	4	8	CCOCCC(=O)N[C@@H](COC)C1CCOCC1
178291682	ZINC000236996565	ref	3.99	-62.05	1	353.488	1.67	1	3	7	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1
282120171	ZINC000449149267	ref	6.11	-34.98	1	282.428	2.227	2	2	8	CCO[C@@H]1C[C@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1(CC)CC
282120175	ZINC000449149267	high	4.98	-5.69	0	282.428	2.227	2	3	8	CCO[C@@H]1C[C@H](NC(=O)[C@H](C)NC2CC2)C1(CC)CC
282120181	ZINC000449149297	ref	6.26	-41.62	1	277.412	2.153	2	2	6	C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)Cc1ccncc1
398246233	ZINC000651447692	ref	7.77	-6.94	0	294.358	3.092	0	5	1	Cc1noc2ncnc(N3CCc4ccccc4[C@H](C)C3)c12
178291686	ZINC000237002033	ref	5.91	-56.04	1	357.414	1.594	1	6	5	CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cn(C2CC[NH2+]CC2)nn1
282120185	ZINC000449148961	ref	7.54	-35.76	1	258.431	2.117	1	2	8	CCSCC[C@@H](C)N(C)C(=O)[C@@H](C)[NH2+]C1CC1
178291691	ZINC000236986954	ref	5.78	-46.82	1	367.515	1.848	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1
178291696	ZINC000236986954	high	4.51	-10.39	0	367.515	1.848	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)NC[C@@H]2C)c1
282120189	ZINC000449148961	high	6.49	-8.02	0	258.431	2.117	1	3	8	CCSCC[C@@H](C)N(C)C(=O)[C@@H](C)NC1CC1
365621994	ZINC000617373613	ref	3.43	-10.41	0	259.346	0.971	1	4	8	CCCOCC(=O)N[C@@H](COC)C1CCOCC1
365622001	ZINC000617373474	ref	1.05	-9.57	0	253.302	0.581	2	4	5	COC[C@H](NC(=O)c1cn[nH]c1)C1CCOCC1
282120195	ZINC000449149268	ref	6.05	-37.15	1	282.428	2.227	2	2	8	CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)[NH2+]C2CC2)C1(CC)CC
365622011	ZINC000617373394	ref	0.93	-7.7	0	271.342	0.709	1	6	5	COC[C@@H](NC(=O)c1csnn1)C1CCOCC1
398246236	ZINC000070244294	ref	1.74	-12.6	0	236.271	0.284	2	3	5	Cc1ccc(OCC(=O)NCC(N)=O)c(C)c1
398246243	ZINC000645406898	ref	5.82	-5.93	0	247.342	2.323	0	4	1	Cc1nccc(N2C[C@@H](C)OC3(CCCC3)C2)n1
365621976	ZINC000336541874	mid	9.57	-94.3	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1
342598031	ZINC000590809051	ref	5.93	-16.35	0	290.367	1.44	2	2	3	O=C(CN1CCCCCCC1=O)N=c1cc(C2CC2)[nH][nH]1
365621981	ZINC000336541874	mid	9.56	-95.43	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1
365621988	ZINC000336541874	mid	9.57	-94.3	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1
365621990	ZINC000336541874	mid	6.9	-34.63	1	273.424	2.28	1	2	3	CN(C)c1ccccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1
365621997	ZINC000336541874	mid	6.91	-34.86	1	273.424	2.28	1	2	3	CN(C)c1ccccc1CN1CC[C@@]2(CC[N@@H+](C)C2)C1
365622002	ZINC000336541874	mid	7.0	-32.94	1	273.424	2.28	1	2	3	CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3N(C)C)C2)C1
342598032	ZINC000590807956	ref	3.07	-12.03	0	298.383	1.18	3	4	5	COC(=O)C1(CNC(=O)N[C@H]2CC[C@@H](CO)C2)CCCC1
342598033	ZINC000590809276	ref	4.48	-15.5	0	259.313	1.161	2	3	3	Cc1cc(C)n(CC(=O)N=c2cc(C3CC3)[nH][nH]2)n1
342598034	ZINC000590809044	ref	3.96	-12.03	0	299.256	1.714	2	3	2	Cn1ncc(C(=O)N=c2cc(C3CC3)[nH][nH]2)c1C(F)(F)F
342598035	ZINC000364841042	ref	3.33	-8.41	0	296.411	1.148	0	4	6	C=C[C@@](C)(CCOC)C(=O)N1CCN([C@H]2CCOC2)CC1
365622007	ZINC000336541874	mid	6.93	-33.18	1	273.424	2.28	1	2	3	CN1CC[C@@]2(CC[N@H+](Cc3ccccc3N(C)C)C2)C1
365622013	ZINC000336542600	ref	5.51	-37.64	1	252.745	2.221	1	1	3	C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC[NH2+]1
222609180	ZINC000222555407	ref	11.29	-12.9	0	386.923	4.215	1	2	8	CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1
398246245	ZINC000645406898	low	6.26	-34.1	1	247.342	2.323	0	3	1	Cc1nc(N2C[C@@H](C)OC3(CCCC3)C2)cc[nH+]1
342598036	ZINC000364841042	low	5.46	-46.03	1	296.411	1.148	1	3	6	C=C[C@@](C)(CCOC)C(=O)N1CC[NH+]([C@H]2CCOC2)CC1
342598037	ZINC000590809137	ref	3.83	-13.23	0	281.266	1.632	2	3	3	Cn1ncc(C(=O)N=c2cc(C3CC3)[nH][nH]2)c1C(F)F
342598038	ZINC000590808142	ref	5.22	-11.89	0	274.336	1.767	2	3	6	COC(=O)C1(CNC(=O)NCC[C@@H](C)F)CCCC1
342598039	ZINC000590808017	ref	4.51	-11.75	0	298.383	1.275	2	4	3	COC(=O)C1(CNC(=O)N2CCC[C@@H](O)[C@H]2C)CCCC1
342598040	ZINC000590809095	ref	4.3	-12.55	0	290.367	1.342	3	2	4	C[C@H](NC(=O)C1CCCC1)C(=O)N=c1cc(C2CC2)[nH][nH]1
365621980	ZINC000565286363	ref	1.79	-8.45	0	267.285	1.128	2	5	6	CC(C)(CO)CCNC(=O)c1ccc([N+](=O)[O-])cn1
365621995	ZINC000581415688	ref	5.59	-20.03	0	253.252	1.986	1	2	3	C[C@H](CC(F)F)C(=O)N=c1cc2ccccn2[nH]1
365622000	ZINC000581415688	high	5.66	-51.79	-1	253.252	1.986	0	2	3	C[C@H](CC(F)F)C(=O)N=c1cc2ccccn2[n-]1
365622006	ZINC000172804008	ref	4.92	-10.35	0	269.366	1.458	1	4	5	C[C@@H](CNC(=O)[C@@H]1COCCO1)Cc1cccs1
365622015	ZINC000172811479	ref	4.27	-19.15	0	276.336	1.754	1	3	5	COC[C@H]1CCCN(C(=O)c2ccc(NC=O)cc2)C1
365622021	ZINC000172805399	ref	3.45	-22.96	0	280.372	1.913	2	4	9	CCCCCC[C@H](C)C(=O)Nc1cnn(CC(N)=O)c1
342598041	ZINC000590808027	ref	4.93	-9.82	0	298.383	1.586	2	4	4	COC(=O)C1(CNC(=O)N[C@H]2CCOC2(C)C)CCCC1
342598042	ZINC000590809138	ref	5.33	-10.79	0	259.231	1.99	2	1	2	O=C(N=c1cc(C2CC2)[nH][nH]1)C1(C(F)(F)F)CC1
342598043	ZINC000590808043	ref	5.93	-9.26	0	268.357	1.985	2	3	6	CC/C=C/CNC(=O)NCC1(C(=O)OC)CCCC1
342598044	ZINC000590807797	ref	3.14	-13.17	0	288.351	1.443	3	3	5	CC[C@H](NC(=O)N[C@H](C)c1cccc(C#N)c1)C(=O)NC
342598045	ZINC000590808653	ref	6.84	-44.91	1	289.423	1.89	2	2	5	CCN(C)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1
342598046	ZINC000590808653	mid	6.31	-41.81	1	289.423	1.89	2	2	5	CCN(C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1
342598047	ZINC000590808653	mid	8.68	-85.95	2	289.423	1.89	3	1	5	CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1
282120167	ZINC000151579003	ref	4.96	-16.39	0	305.301	2.263	1	7	2	Cc1cc(C)n2ncc(-c3noc(-c4ccc(C#N)[nH]4)n3)c2n1
282120173	ZINC000151562987	ref	4.91	-8.75	0	323.82	2.349	2	3	5	O=C(NCC1(CO)CCOCC1)[C@H]1C[C@H]1c1ccccc1Cl
365622029	ZINC000565289201	ref	5.47	-12.32	0	274.295	1.74	1	3	3	N#Cc1ccc(CNC(=O)[C@@H]2C[C@]23CCOC3)cc1F
365622037	ZINC000172803554	ref	6.59	-14.48	0	287.359	1.92	1	3	2	CC1(C)[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)[C@@H]2CCO[C@@H]21
365622044	ZINC000172804014	ref	4.92	-10.27	0	269.366	1.458	1	4	5	C[C@H](CNC(=O)[C@H]1COCCO1)Cc1cccs1
365622055	ZINC000172807540	ref	4.44	-41.46	1	269.776	1.994	3	3	5	O[C@@H](CNc1ccc(Cl)cn1)C[NH+]1CCCCC1
299072371	ZINC000358088478	low	4.31	-94.87	2	318.469	1.417	2	4	6	CCN1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1
197596516	ZINC000290101894	ref	-1.41	-16.32	0	296.327	0.734	3	5	6	COc1ncc(NC(=O)N[C@H](C)[C@H](C)OC)cc1C(N)=O
342598048	ZINC000590808653	mid	8.7	-85.85	2	289.423	1.89	3	1	5	CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](C)C1)c1ccccc1
297220779	ZINC000443374769	ref	6.43	-10.0	0	322.371	2.91	2	2	3	C[C@@H]1CCN(C(=O)N[C@H](C2CCCCC2)C(F)(F)F)[C@@H]1CO
219048474	ZINC000350683801	ref	5.83	-7.44	0	263.263	2.013	1	4	5	Cc1cc(C(F)(F)F)nc(N(C)CCCCO)n1
398246237	ZINC000651448384	ref	3.34	-7.71	0	279.29	3.173	0	4	2	C[C@H]1CN(c2nnc(C(F)F)o2)CCc2ccccc21
219048482	ZINC000350695922	ref	7.41	-9.9	0	284.363	3.101	2	3	3	Cc1ccnn1-c1ccccc1NC(=O)N[C@H]1CC[C@H]1C
219048484	ZINC000350686853	ref	2.95	-13.48	0	297.289	3.035	2	4	2	Cc1ccc(O)c(NC(=O)c2cc3nccnc3cc2F)c1
342082342	ZINC000625332829	ref	6.6	-14.89	0	284.363	1.587	1	4	4	Cc1cncn1CC(=O)N[C@H]1CCN(c2ccccc2)C1
342082343	ZINC000625332829	mid	7.11	-37.69	1	284.363	1.587	1	3	4	Cc1c[nH+]cn1CC(=O)N[C@H]1CCN(c2ccccc2)C1
342082344	ZINC000625331451	ref	5.37	-15.59	0	269.304	1.908	2	3	2	Cc1ccc2c(c1)[C@H](NC(=O)c1cc(=O)[nH]cn1)CC2
342082345	ZINC000625331451	high	4.22	-41.93	-1	269.304	1.908	1	3	2	Cc1ccc2c(c1)[C@H](NC(=O)c1cc(=O)[n-]cn1)CC2
342082346	ZINC000625332157	ref	3.84	-14.43	0	282.39	1.805	1	4	6	O=S(=O)(CCc1ccccc1)NCc1ccns1
342082347	ZINC000625331989	ref	2.17	-11.12	0	281.418	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)CCOC(C)C)OCC
342082348	ZINC000625332024	ref	1.99	-9.97	0	272.37	1.565	1	4	8	CCC[C@@H](CNS(=O)(=O)c1cccnc1)OCC
342082349	ZINC000046660623	ref	3.51	-7.68	0	265.313	1.791	2	4	5	CCOC(=O)N[C@H](C(=O)Nc1ccccn1)C(C)C
342082350	ZINC000046660624	ref	3.58	-7.55	0	265.313	1.791	2	4	5	CCOC(=O)N[C@@H](C(=O)Nc1ccccn1)C(C)C
342082351	ZINC000625331934	ref	2.81	-9.4	0	278.418	1.512	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCCCC1)OCC
342082352	ZINC000625331782	ref	5.78	-38.11	1	250.39	1.726	1	3	6	CCN(Cc1ccnn1C)C[C@H]1CCC[N@@H+]1CC
342082353	ZINC000625331782	mid	5.54	-39.62	1	250.39	1.726	1	3	6	CCN(Cc1ccnn1C)C[C@H]1CCC[N@H+]1CC
219048487	ZINC000350683886	ref	4.32	-6.33	0	283.759	2.224	2	3	5	CC[C@H](C)[C@@H](NC(C)=O)C(=O)Nc1ccc(Cl)cn1
212170058	ZINC000335492878	mid	6.63	-106.41	2	252.308	2.151	2	0	3	Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1
342082354	ZINC000625331986	ref	3.35	-9.69	0	280.434	1.758	1	3	11	CCCCN(C)S(=O)(=O)NC[C@@H](CCC)OCC
136228543	ZINC000283271934	ref	3.64	-11.54	0	217.268	1.464	2	2	4	CC#CC(=O)NCCCc1ccc(O)cc1
136228544	ZINC000191583486	ref	2.55	-11.84	0	241.335	0.411	1	3	5	CC[C@@H](C)NC(=O)[C@@H](C)N1CC(=O)N(CC)C1
212170062	ZINC000335493137	ref	5.09	-9.61	0	253.248	2.282	1	2	2	C[C@]1(C(=O)N[C@@H]2COc3ccccc32)CC1(F)F
219048477	ZINC000097696325	mid	3.56	-19.18	0	325.372	0.6	2	5	3	N#Cc1cccc(C(=O)N2CCN(Cc3cnc[nH]3)C[C@@H](O)C2)c1
219048479	ZINC000097696325	low	4.08	-50.52	1	325.372	0.6	2	4	3	N#Cc1cccc(C(=O)N2CCN(Cc3c[nH+]c[nH]3)C[C@@H](O)C2)c1
219048481	ZINC000097696122	ref	9.09	-6.86	0	336.794	3.683	0	3	6	CCN(Cc1c(F)cccc1Cl)C(=O)c1cccc(COC)n1
365621992	ZINC000623046116	ref	3.11	-15.06	0	318.364	1.298	2	3	4	CC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@H](C(F)F)C1CCCCC1
282120168	ZINC000248954654	ref	4.78	-46.29	1	302.44	1.055	1	3	5	O=S(=O)([C@H]1CC[N@H+](CC[C@H]2CCCO2)C1)N1CCCC1
282120172	ZINC000248954654	mid	4.81	-46.61	1	302.44	1.055	1	3	5	O=S(=O)([C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1)N1CCCC1
365638779	ZINC000617440068	mid	4.65	-20.83	0	293.356	0.619	2	7	4	Cc1nnc(SCC(=O)N[C@@H]2C[C@H](C)n3ncnc32)[nH]1
342598049	ZINC000590808653	mid	9.24	-91.89	2	289.423	1.89	3	1	5	CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](C)C1)c1ccccc1
197596510	ZINC000162857417	ref	9.01	-49.08	-1	311.407	2.291	0	7	7	O=C([O-])CSc1nnc(CC[C@H]2CCCCO2)n1C1CC1
342598050	ZINC000590808653	mid	8.7	-85.85	2	289.423	1.89	3	1	5	CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)C1)c1ccccc1
214189717	ZINC000293640000	ref	5.76	-21.33	0	365.407	0.618	0	6	2	COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1ccc2c(c1)CCCC2=O
365638781	ZINC000617440068	mid	4.32	-18.84	0	293.356	0.619	2	7	4	Cc1n[nH]c(SCC(=O)N[C@@H]2C[C@H](C)n3ncnc32)n1
365638784	ZINC000617442108	ref	4.0	-16.83	0	275.316	0.715	1	7	4	CCCn1cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)nn1
365638790	ZINC000617441629	ref	4.69	-23.62	0	273.296	0.711	2	5	2	Cc1c[nH]cc(C(=O)N[C@H]2C[C@H](C)n3ncnc32)c1=O
365638794	ZINC000617442042	ref	4.96	-24.0	0	283.295	0.985	2	6	2	C[C@@H]1C[C@@H](NC(=O)c2cnc3[nH]cnc3c2)c2ncnn21
219048483	ZINC000097694736	ref	5.05	-18.26	0	343.431	3.128	4	3	6	CCC(=O)Nc1cc(NC(=O)N[C@H](C)Cc2cc(C)n[nH]2)ccc1C
219048485	ZINC000097694736	mid	5.04	-18.33	0	343.431	3.128	4	3	6	CCC(=O)Nc1cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)ccc1C
365638797	ZINC000617441456	ref	3.39	-25.78	0	283.295	0.985	2	6	2	C[C@@H]1C[C@H](NC(=O)c2cccc3n[nH]nc23)c2ncnn21
365638800	ZINC000617441456	low	3.38	-29.49	0	283.295	0.985	2	6	2	C[C@@H]1C[C@H](NC(=O)c2cccc3[nH]nnc23)c2ncnn21
282120177	ZINC000248954654	high	2.25	-10.54	0	302.44	1.055	0	4	5	O=S(=O)([C@H]1CCN(CC[C@H]2CCCO2)C1)N1CCCC1
365622012	ZINC000625028494	high	4.93	-61.91	-1	304.39	2.077	1	3	3	Cc1cccc([O-])c1C(=O)N1CCC[C@@H](NC(=O)C(C)C)C1
197596514	ZINC000162854833	ref	7.12	-12.5	0	305.296	3.189	1	3	7	COc1ccccc1[C@@H](C)CC(=O)NOCCC(F)(F)F
197596515	ZINC000162854833	high	6.54	-45.1	-1	305.296	3.189	0	3	7	COc1ccccc1[C@@H](C)CC(=O)[N-]OCCC(F)(F)F
342598051	ZINC000590808653	high	4.34	-8.43	0	289.423	1.89	1	3	5	CCN(C)[C@H](C(=O)N[C@H]1CCCN(C)C1)c1ccccc1
365622020	ZINC000625031887	ref	6.7	-16.77	0	319.449	2.408	2	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1
365622026	ZINC000625030756	ref	7.17	-19.07	0	307.438	2.36	1	2	2	C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365622035	ZINC000625031029	ref	6.42	-10.78	0	311.451	2.319	0	4	3	Cc1ncc(S(=O)(=O)N2CCC(C3CCCC3)CC2)n1C
365622045	ZINC000625031025	ref	5.31	-13.68	0	315.41	2.103	1	3	9	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NCCC1CC1
178291697	ZINC000014918331	ref	4.1	-5.2	0	234.339	3.308	2	2	1	Cc1cc2c(cc1O)[C@H](C)C[C@@H](O)[C@H]2C(C)C
197596520	ZINC000162850790	ref	8.42	-53.3	1	314.433	2.789	1	4	5	Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C)C3CCOCC3)cn2)n1
365622049	ZINC000625031674	ref	7.03	-19.25	0	305.422	2.114	1	2	2	C[C@@H]1CC2(CCC2)CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365622053	ZINC000625028814	ref	6.39	-10.15	0	301.452	2.157	1	3	10	CCO[C@@H](CS(=O)(=O)NCC(C1CC1)C1CC1)C1CC1
342598052	ZINC000590807615	ref	6.14	-48.84	1	274.368	1.869	3	2	5	C[C@H](NC(=O)NC[C@H](C)[NH+](C)C)c1cccc(C#N)c1
365622058	ZINC000625029829	ref	6.74	-8.47	0	321.508	2.205	0	4	7	CCO[C@@H](CS(=O)(=O)N1CCS[C@H](C(C)C)C1)C1CC1
365622069	ZINC000625030947	ref	6.63	-13.52	0	305.374	2.45	1	4	6	COc1cccc2c1OCC[C@@H]2NC(=O)[C@@H](C)OCC1CC1
342598053	ZINC000590807615	high	3.94	-11.1	0	274.368	1.869	2	3	5	C[C@H](NC(=O)NC[C@H](C)N(C)C)c1cccc(C#N)c1
214189721	ZINC000293648826	ref	5.71	-44.67	1	351.403	0.578	2	5	7	COCc1cc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc(C(=O)OC)c1
365622077	ZINC000625031672	ref	7.02	-18.42	0	305.422	2.114	1	2	2	C[C@@H]1CC2(CCC2)CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
214189725	ZINC000293648826	high	3.24	-10.34	0	351.403	0.578	1	6	7	COCc1cc(NC(=O)C(=O)N(C)CCN(C)C)cc(C(=O)OC)c1
197596526	ZINC000162856108	ref	5.25	-6.63	0	300.196	2.738	1	2	5	COCC(C)(C)C(=O)NCc1ccccc1Br
365622084	ZINC000625029098	ref	4.79	-12.37	0	324.465	2.249	2	3	6	C[C@@H]1O[C@H](C)[C@H](C(=O)NCCNC(=O)CC2CCCCC2)[C@@H]1C
219048488	ZINC000097695664	ref	7.04	-9.8	0	329.227	3.347	2	2	3	CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CC1(Cl)Cl
299072373	ZINC000358088478	low	7.0	-191.03	3	318.469	1.417	3	3	6	CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1
365622014	ZINC000274314425	ref	2.82	-9.75	0	271.338	1.156	0	4	3	CN(C)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1
219048494	ZINC000097695132	ref	3.92	-9.56	0	349.46	1.978	1	7	6	C[C@@H]1CN(Cc2csc(NC(=O)CCn3cccn3)n2)C[C@@H](C)O1
185089900	ZINC000096075910	ref	7.64	-46.82	1	283.375	2.478	2	1	2	CC[N@@H+]1CC[C@]12CCN(C(=O)c1cc3ccccc3[nH]1)C2
219048495	ZINC000097695381	ref	10.82	-11.6	0	325.387	3.313	1	3	6	C[C@H](Cc1ccccc1F)NC(=O)CCn1cnc2ccccc21
178291700	ZINC000236997327	ref	4.92	-61.93	1	367.515	1.964	2	3	10	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1
178291705	ZINC000236986512	ref	4.57	-40.31	1	353.488	1.589	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2C[NH3+])c1
365622027	ZINC000274318437	ref	0.53	-10.74	0	295.335	1.013	2	5	4	COc1ccc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c(O)c1
178291711	ZINC000236990186	ref	5.25	-62.09	1	367.515	1.503	2	3	10	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@@H](C[NH3+])C2CC2)cc1
178291716	ZINC000236986872	ref	6.33	-92.42	2	350.511	1.607	3	4	6	Cc1c(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)nnn1C1CC[NH2+]CC1
365622033	ZINC000274318437	high	1.5	-59.15	-1	295.335	1.013	1	5	4	COc1ccc(C(=O)N2CCOC[C@H]2C[C@H](C)O)c([O-])c1
365622041	ZINC000274317910	ref	4.86	-36.23	1	289.423	1.621	2	2	6	CNC(=O)C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C
178291721	ZINC000236998803	ref	8.24	-87.01	2	359.518	1.619	3	3	7	CC[NH+]1CCN(c2ccc(CNC(=O)CCC3CC[NH2+]CC3)cn2)CC1
365622051	ZINC000274317910	low	7.34	-101.95	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C
178291728	ZINC000236998803	mid	5.87	-45.91	1	359.518	1.619	2	4	7	CCN1CCN(c2ccc(CNC(=O)CCC3CC[NH2+]CC3)cn2)CC1
343994349	ZINC000599271325	ref	4.68	-12.94	0	254.721	1.742	1	4	4	CC(C)C[C@@H](C#N)NC(=O)c1nn(C)cc1Cl
306234499	ZINC000557853552	ref	8.14	-46.31	1	348.472	1.821	1	4	3	C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
185089902	ZINC000096075910	mid	7.71	-46.65	1	283.375	2.478	2	1	2	CC[N@H+]1CC[C@]12CCN(C(=O)c1cc3ccccc3[nH]1)C2
306234500	ZINC000557853552	high	6.39	-14.55	0	348.472	1.821	0	5	3	C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
365622016	ZINC000576540414	ref	10.8	-34.44	1	243.394	3.826	1	0	4	C=C(C)C[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1
365622024	ZINC000576540414	mid	11.39	-34.16	1	243.394	3.826	1	0	4	C=C(C)C[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1
398246241	ZINC000651448280	ref	5.7	-7.18	0	269.348	3.113	0	4	2	C[C@@H]1CN(c2nnc(C3CC3)o2)CCc2ccccc21
365622031	ZINC000576536182	ref	4.49	-6.5	0	248.326	2.78	1	3	6	Cc1oc(C2CC2)nc1C(=O)NCCCC1CC1
398246244	ZINC000651452845	ref	7.76	-42.88	1	279.33	3.275	1	1	3	C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCc2c(F)cc(F)cc21
342598054	ZINC000590808372	ref	5.96	-48.45	1	290.342	1.591	3	2	3	C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1
398246247	ZINC000651452845	high	6.82	-3.4	0	279.33	3.275	1	2	3	C=C[C@@H]1OCCC[C@H]1N[C@@H]1CCc2c(F)cc(F)cc21
282120170	ZINC000424367225	ref	2.03	-60.36	-1	349.434	1.271	2	7	8	CCC(CC)(CNS(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]
282120178	ZINC000424367225	high	1.78	-124.07	-2	349.434	1.271	1	7	8	CCC(CC)(C[N-]S(=O)(=O)c1cnc(NC(C)=O)s1)C(=O)[O-]
398246250	ZINC000651448281	ref	4.73	-7.42	0	269.348	3.113	0	4	2	C[C@H]1CN(c2nnc(C3CC3)o2)CCc2ccccc21
282120183	ZINC000424396077	ref	5.69	-57.05	-1	336.413	2.404	1	5	7	CCC(CC)(CNS(=O)(=O)c1cccc2cccnc12)C(=O)[O-]
365622040	ZINC000576580417	ref	0.71	-6.12	0	231.292	0.067	2	4	5	COC[C@@H](NC(=O)C(C)(C)O)[C@H]1CCCO1
365622056	ZINC000576536772	ref	3.8	-7.74	0	248.286	0.588	0	6	3	COC[C@@H]1CN(c2cc(C#N)ncn2)C[C@@H](C)O1
342598055	ZINC000590808372	mid	6.49	-50.27	1	290.342	1.591	3	2	3	C[N@H+]1CCC[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1
398246254	ZINC000651447848	ref	9.57	-8.44	0	292.382	3.377	0	3	1	C[C@H]1CN(c2ccc3c(n2)CCC3=O)CCc2ccccc21
219048489	ZINC000350691293	ref	6.49	-10.88	0	280.412	2.186	1	2	6	CC(C)[C@@H]1N(C(=O)CCCNC(=O)C2CC2)CC1(C)C
342598056	ZINC000590808372	high	3.6	-12.96	0	290.342	1.591	2	3	3	CN1CCC[C@H](NC(=O)NCc2ccc(C#N)c(F)c2)C1
342598057	ZINC000590808028	ref	5.03	-10.35	0	298.383	1.444	2	4	7	COC(=O)C1(CNC(=O)NC[C@@H](OC)C2CC2)CCCC1
342598058	ZINC000590809098	ref	2.81	-13.4	0	281.366	1.291	2	5	4	O=C(CSc1nncs1)N=c1cc(C2CC2)[nH][nH]1
342598059	ZINC000590807799	ref	4.64	-11.66	0	291.351	1.58	2	4	7	COCC(COC)NC(=O)N[C@H](C)c1cccc(C#N)c1
259308735	ZINC000306284244	ref	3.52	-4.76	0	229.32	2.47	1	3	3	COC1(CNC(=O)OC(C)(C)C)CCCC1
365622063	ZINC000576536774	ref	3.59	-7.76	0	248.286	0.588	0	6	3	COC[C@@H]1CN(c2cc(C#N)ncn2)C[C@H](C)O1
365622019	ZINC000617373046	ref	3.4	-14.95	0	281.356	0.749	1	5	6	COC[C@H](NC(=O)Cn1cc(C)cn1)C1CCOCC1
365622030	ZINC000617373472	ref	1.0	-9.54	0	253.302	0.581	2	4	5	COC[C@@H](NC(=O)c1cn[nH]c1)C1CCOCC1
365622036	ZINC000617371980	ref	2.42	-7.21	0	271.357	0.971	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCCOC1)C1CCOCC1
365622046	ZINC000617372692	ref	1.61	-8.6	0	267.329	0.89	2	4	5	COC[C@@H](NC(=O)c1cc(C)n[nH]1)C1CCOCC1
365622052	ZINC000617371883	ref	2.03	-7.03	0	259.346	0.827	1	4	7	COC[C@@H](NC(=O)[C@H](C)COC)C1CCOCC1
365622061	ZINC000617372189	ref	4.75	-15.72	0	272.37	0.547	0	4	4	CCOC1CCN(C(=O)CN2CSCC2=O)CC1
214189722	ZINC000278492054	ref	6.04	-12.58	0	303.337	2.166	1	4	3	C[C@@H]1COCC[C@H]1NC(=O)c1ccn(-c2ccccc2F)n1
398246242	ZINC000390771419	low	5.29	-180.3	3	211.353	0.527	3	0	4	C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1
398246246	ZINC000036136443	ref	7.13	-38.22	1	244.338	2.102	1	1	2	O=C([C@H]1CCC[NH2+]1)N1CCC[C@@H]1c1ccccc1
398246248	ZINC000650439159	ref	2.76	-12.97	0	241.316	1.571	2	4	5	COCCNC(=O)Nc1ncccc1SC
398246251	ZINC000036136441	ref	7.2	-38.83	1	244.338	2.102	1	1	2	O=C([C@H]1CCC[NH2+]1)N1CCC[C@H]1c1ccccc1
398246253	ZINC000408149788	ref	0.42	-8.78	0	241.335	0.112	2	3	3	CN1CCC[C@H]1C(=O)NCC(=O)NC(C)(C)C
365622072	ZINC000617371360	ref	1.68	-13.6	0	267.329	0.51	2	4	6	COC[C@@H](NC(=O)Cc1cc[nH]n1)C1CCOCC1
398246257	ZINC000408149788	mid	2.89	-33.85	1	241.335	0.112	3	2	3	C[N@@H+]1CCC[C@H]1C(=O)NCC(=O)NC(C)(C)C
201705213	ZINC000225419561	ref	8.7	-7.78	0	322.364	3.842	1	4	5	CO[C@](C)(C(=O)Nc1cc(-c2ccccc2)on1)c1ccccc1
398246259	ZINC000408149788	mid	2.37	-35.46	1	241.335	0.112	3	2	3	C[N@H+]1CCC[C@H]1C(=O)NCC(=O)NC(C)(C)C
214190512	ZINC000293659962	ref	5.88	-20.07	0	355.358	0.527	2	6	4	CCCN1C(=O)c2ccccc2N2C(=O)CC[C@]12C(=O)Nc1nn[nH]n1
365622082	ZINC000617373375	ref	2.84	-10.88	0	281.356	0.9	1	5	5	COC[C@@H](NC(=O)c1cc(C)n(C)n1)C1CCOCC1
365622089	ZINC000617371940	ref	-0.05	-7.54	0	295.339	0.657	1	6	6	COC[C@@H](NC(=O)c1ccc(OC)nn1)C1CCOCC1
398246262	ZINC000650439461	ref	6.17	-10.7	0	233.302	2.974	1	1	5	C[C@H](C(=O)NCCC(C)(F)F)C1CCCC1
398246265	ZINC000390773082	ref	7.08	-12.61	0	220.28	0.145	1	6	4	CCc1nn(C)cc1CNc1ncn(C)n1
365622099	ZINC000617373612	ref	3.38	-10.38	0	259.346	0.971	1	4	8	CCCOCC(=O)N[C@H](COC)C1CCOCC1
365622109	ZINC000617373397	ref	1.81	-8.85	0	254.286	0.846	1	5	5	COC[C@@H](NC(=O)c1ccon1)C1CCOCC1
219048492	ZINC000286548806	ref	6.52	-17.56	0	305.403	2.916	1	5	6	Cc1noc(-c2ccccc2C(=O)NCCSC(C)C)n1
219048497	ZINC000286548523	ref	3.12	-16.54	0	305.371	1.873	1	4	9	COc1ccc(CNS(=O)(=O)CCCCF)cc1OC
219048502	ZINC000286550804	ref	4.04	-12.29	0	313.81	2.421	1	4	4	Cc1nn(C)cc1S(=O)(=O)N[C@@H](C)c1cccc(Cl)c1
219048507	ZINC000286549196	ref	5.76	-19.12	0	319.756	1.012	1	7	5	CN(C)C(=O)c1cnc(NCCn2cnc(C#N)n2)c(Cl)c1
346818910	ZINC000589953624	ref	8.61	-11.23	0	275.392	3.276	1	2	4	C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)N[C@@H]1C[C@H]1C
219048515	ZINC000286549215	ref	9.04	-9.32	0	322.767	3.152	0	2	2	O=C1[C@H]2CCCCN2C(=O)N1[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1
365622023	ZINC000336542472	ref	5.97	-40.47	1	297.402	2.46	2	2	3	C[C@H]1CN(CC(=O)Nc2cccc3ccccc23)C[C@@H](C)[NH2+]1
212170273	ZINC000335492961	ref	7.02	-12.29	0	279.409	2.425	1	3	3	Cc1ccncc1CN(C)C(=O)N[C@H]1CS[C@@H](C)C1
133427862	ZINC000306446233	ref	4.07	-5.34	0	164.252	1.941	0	2	1	C=C1CCN(C(C)(C)C#N)CC1
365622028	ZINC000336541889	ref	3.21	-13.22	0	259.309	2.187	3	2	2	C[C@H]1CC[C@@H](NC(=O)c2ccc3[nH]c(=O)[nH]c3c2)C1
219048518	ZINC000286550072	ref	4.9	-20.86	0	324.381	1.908	0	6	3	Cc1noc([C@H]2CCCN2C(=O)CN(C)C(=O)OC(C)(C)C)n1
219048520	ZINC000286549280	ref	4.23	-11.18	0	323.347	2.523	2	4	4	Cc1c([C@H](C)NC(=O)N[C@@H](C)c2c(F)cncc2F)cnn1C
219048524	ZINC000286549645	ref	1.68	-12.33	0	322.405	1.434	3	4	8	O=C(NCCOCc1ccccc1)NCCC1(O)CCOCC1
343994353	ZINC000139380459	ref	2.75	-7.61	0	196.206	1.637	1	3	1	O=c1[nH]nc(-c2ccccc2F)s1
219048533	ZINC000286550058	ref	10.41	-12.2	0	314.429	3.26	0	3	6	CO[C@@H](C)CN(C)C(=O)c1cc(C)n(Cc2ccccc2)c1C
219048538	ZINC000286550791	ref	3.8	-10.36	0	320.393	0.382	2	5	5	Cc1cnn(CCNC(=O)C(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1
219048541	ZINC000286550179	ref	5.58	-11.46	0	312.377	1.653	3	7	5	CCc1ccc([C@H](O)CNc2nc(N)c3cnn(C)c3n2)cc1
343994356	ZINC000139380459	mid	1.92	-43.78	-1	196.206	1.637	0	3	1	O=c1[n-]nc(-c2ccccc2F)s1
290623004	ZINC000287633555	ref	4.48	-23.65	0	274.328	0.395	1	6	2	CNC(=O)[C@]1(C)CCN(c2ccc3nc(C)nn3n2)C1
185089903	ZINC000096075910	high	4.61	-10.36	0	283.375	2.478	1	2	2	CCN1CC[C@]12CCN(C(=O)c1cc3ccccc3[nH]1)C2
212170276	ZINC000335492481	ref	8.02	-15.69	0	258.296	2.018	0	2	3	N#Cc1cccc(C2(C(=O)N3CC(CF)C3)CC2)c1
346818918	ZINC000589953425	ref	8.17	-9.11	0	263.768	3.286	1	1	3	C[C@H]1C[C@H]1NC(=O)C1(c2cccc(Cl)c2)CCC1
365622034	ZINC000336542367	ref	6.41	-12.75	0	281.396	2.411	0	3	3	CN(CC1CCOCC1)C(=O)[C@@H]1CCCCCC(=O)C1
365622043	ZINC000336542250	ref	5.64	-51.19	-1	267.712	2.145	2	3	3	O=C(NC[C@H]1CCCC1=O)c1cc(Cl)ccc1O
365622047	ZINC000336542250	mid	5.64	-51.19	-1	267.712	2.145	1	3	3	O=C(NC[C@H]1CCCC1=O)c1cc(Cl)ccc1[O-]
365622050	ZINC000336542363	ref	3.64	-7.32	0	288.269	2.483	2	2	2	CC[C@@]1(O)CCN(C(=O)Nc2ccc(F)c(F)c2F)C1
365622057	ZINC000336541936	ref	5.87	-14.01	0	273.442	2.428	0	2	3	CC(C)CC(C)(C)C(=O)N1CC[C@@H](C)[S@@](=O)CC1
365622065	ZINC000336542409	ref	7.99	-37.51	1	258.365	2.266	1	1	2	Cc1cc(C)cc(N(C)C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c1
365622073	ZINC000336542452	ref	5.57	-16.91	0	275.348	2.266	1	3	2	CC(=O)c1cccc(C(=O)N2CCC[C@](C)(O)CC2)c1
365622080	ZINC000336542508	ref	4.95	-12.7	0	290.697	2.416	2	2	2	O=C(Nc1ccc(Cl)c(F)c1)N1C[C@H](F)C[C@@H]1CO
365622086	ZINC000336542149	ref	8.78	-38.45	1	250.386	2.285	1	1	3	C[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2C=CCC2)CC1
349535694	ZINC000258967956	mid	5.37	-7.07	0	206.314	2.45	1	3	4	Cc1ccsc1CNCC1(C#N)CC1
365622092	ZINC000336542576	ref	4.52	-19.78	0	297.314	2.454	2	4	3	Cc1cc(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)co1
365622098	ZINC000336542573	ref	6.87	-52.45	1	266.772	2.359	1	1	3	CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)c(Cl)c2)C1
365622103	ZINC000336542573	high	5.69	-12.04	0	266.772	2.359	1	2	3	CC(=O)N1CC[C@@H](NCc2ccc(C)c(Cl)c2)C1
365622110	ZINC000336542479	ref	8.07	-44.78	1	256.349	2.25	1	1	2	C=Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)cc1
365622124	ZINC000336542479	mid	6.3	-8.89	0	256.349	2.25	0	2	2	C=Cc1ccc(C(=O)N2CCN3CCC2CC3)cc1
365622130	ZINC000336542474	ref	3.65	-9.98	0	288.269	2.483	2	2	3	O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@@H]1CCO
365622135	ZINC000336541933	ref	5.57	-12.36	0	273.442	2.428	0	2	3	CC(C)CC(C)(C)C(=O)N1CC[C@H](C)[S@](=O)CC1
365622143	ZINC000336542134	ref	6.31	-115.84	2	278.787	2.007	1	3	3	Cn1c(CN2CC[C@@H](C[NH3+])C2)nc2cc(Cl)ccc21
259308737	ZINC000306288913	ref	7.84	-3.22	0	202.269	3.713	0	1	3	CC(C)CSc1cc(F)ccc1F
342088478	ZINC000121510988	low	6.63	-39.54	1	251.33	1.038	1	3	5	Cn1c[nH+]cc1CCNC(=O)C[C@@H]1CCCCO1
342088479	ZINC000121507455	ref	-0.41	-4.73	0	295.223	1.545	2	3	3	O[C@@H](C1CCN(C[C@@H](O)C(F)(F)F)CC1)C(F)(F)F
342088480	ZINC000121507455	mid	1.84	-44.42	1	295.223	1.545	3	2	3	O[C@@H](C1CC[NH+](C[C@@H](O)C(F)(F)F)CC1)C(F)(F)F
342088481	ZINC000121472010	ref	4.67	-50.5	1	288.351	1.511	3	3	4	C[C@@]1(C(=O)Nc2ccc(NC(=O)C3CC3)nc2)CCC[NH2+]1
365622039	ZINC000354682038	ref	4.43	-7.57	0	282.384	1.176	1	3	5	COC1CCC(CNC(=O)C2(C(=O)N(C)C)CC2)CC1
365622048	ZINC000367178998	ref	5.15	-42.02	1	292.404	1.53	1	3	2	CSc1ccc(C)c(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)c1
365622054	ZINC000354679685	ref	4.13	-39.7	1	291.395	1.391	3	3	4	CC(C)c1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)nc1
365622064	ZINC000354679685	high	1.76	-7.33	0	291.395	1.391	2	4	4	CC(C)c1ccc(C(=O)NCC2(O)CCN(C)CC2)nc1
365622070	ZINC000354679992	ref	7.95	-18.62	0	277.386	1.166	0	5	9	CCSCC[C@H](C)N(C)C(=O)COCC(=O)OC
365622078	ZINC000354681508	ref	3.84	-14.39	0	291.825	1.971	1	3	4	O=C(CCc1cc(Cl)cs1)N[C@@H]1CC[S@](=O)C1
365622088	ZINC000354681446	ref	6.07	-12.44	0	273.34	1.683	1	4	5	CCN(Cc1cn(C)nn1)C(=O)c1cc[nH]c1C1CC1
365622096	ZINC000367178994	ref	4.96	-43.94	1	282.413	1.92	1	5	4	CO[C@@H](C)c1nsc(N2CC[C@@H]([NH+]3CCCC3)C2)n1
365622102	ZINC000367178994	high	2.58	-6.34	0	282.413	1.92	0	6	4	CO[C@@H](C)c1nsc(N2CC[C@@H](N3CCCC3)C2)n1
365622111	ZINC000354680162	ref	2.92	-23.22	0	294.42	1.144	1	3	5	C[C@H](C(=O)N[C@H]1CC[S@](=O)C1)N(C)Cc1ccccc1
365622115	ZINC000354680162	mid	5.16	-53.96	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@H]1CC[S@](=O)C1)[N@H+](C)Cc1ccccc1
282120176	ZINC000329233010	ref	5.97	-19.33	0	346.435	0.76	1	5	2	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@H](C(=O)N3CCCC3)C1)CC2
282120192	ZINC000329233010	mid	5.98	-19.44	0	346.435	0.76	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](C(=O)N3CCCC3)C1)CC2
365622122	ZINC000354680162	mid	5.15	-55.04	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@H]1CC[S@](=O)C1)[N@@H+](C)Cc1ccccc1
282120197	ZINC000368087951	ref	6.59	-17.96	0	270.3	0.451	1	8	2	Cc1nc2n(n1)C[C@@H](Nc1cncc3nncn13)CC2
365622128	ZINC000354680175	ref	4.35	-14.09	0	279.384	1.89	2	3	5	COC1CCC(CNC(=O)Cc2c(C)n[nH]c2C)CC1
214189723	ZINC000053605826	ref	8.09	-38.45	1	328.46	3.12	1	4	7	CCCCc1nc(CN2CCC[N@H+](Cc3ccccc3)CC2)no1
214189726	ZINC000053605826	mid	8.13	-38.52	1	328.46	3.12	1	4	7	CCCCc1nc(CN2CCC[N@@H+](Cc3ccccc3)CC2)no1
365622138	ZINC000354681484	ref	6.11	-14.05	0	284.363	1.818	2	3	5	Cn1ccc(CCNC(=O)N[C@H]2C[C@H]2c2ccccc2)n1
365622144	ZINC000354679478	ref	4.45	-16.41	0	277.386	1.438	1	4	8	CCCC[C@@H](NS(=O)(=O)CC1CCC1)C(=O)OC
365622151	ZINC000354679478	high	4.18	-42.59	-1	277.386	1.438	0	4	8	CCCC[C@@H]([N-]S(=O)(=O)CC1CCC1)C(=O)OC
365622157	ZINC000354679461	ref	3.64	-12.36	0	296.342	1.278	1	3	7	CC[C@H](C(=O)N(C)[C@@H](COC)C(N)=O)c1ccc(F)cc1
365622042	ZINC000121833641	ref	5.17	-11.86	0	262.288	2.189	2	3	3	Cc1cc(NC(=O)NCc2cccc(F)c2)nn1C
365622060	ZINC000121832683	ref	3.19	-16.17	0	263.366	2.376	2	3	4	Cc1n[nH]c(C)c1CNc1cccc([S@](C)=O)c1
365622071	ZINC000121832411	ref	6.96	-25.84	0	262.353	2.41	1	2	5	O=C(NCCCC1CCCCC1)c1ccc[n+]([O-])c1
365622081	ZINC000121837923	ref	6.23	-36.61	1	290.407	2.411	2	2	6	CC[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)Oc1ccccc1C
365622090	ZINC000121837923	high	4.9	-7.81	0	290.407	2.411	2	3	6	CC[C@@H](CNC(=O)[C@@H]1CCCCN1)Oc1ccccc1C
365622094	ZINC000121833674	ref	7.75	-46.6	1	292.427	2.212	3	2	6	CCc1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[nH]n1
365622104	ZINC000121832759	ref	5.54	-13.67	0	295.383	2.159	2	4	6	Cc1[nH]nc(C(C)C)c1C(=O)NC[C@H](C)C(=O)OC(C)C
342598060	ZINC000590809035	ref	5.12	-13.35	0	271.324	1.422	2	3	3	CN(C)c1ncccc1C(=O)N=c1cc(C2CC2)[nH][nH]1
365622114	ZINC000121832759	mid	5.54	-13.1	0	295.383	2.159	2	4	6	Cc1n[nH]c(C(C)C)c1C(=O)NC[C@H](C)C(=O)OC(C)C
365622125	ZINC000121840060	ref	5.94	-42.34	1	290.407	2.268	2	2	6	CC[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)Oc1ccccc1C
365622133	ZINC000121831993	ref	7.5	-42.04	1	264.344	2.304	2	1	5	C[NH+](C)Cc1ccc(CNC(=O)C2(C)CC2)cc1F
365622139	ZINC000121831993	mid	5.03	-7.51	0	264.344	2.304	1	2	5	CN(C)Cc1ccc(CNC(=O)C2(C)CC2)cc1F
365622146	ZINC000121836861	ref	2.78	-16.55	0	293.392	2.087	1	5	5	COc1c(CNc2cccc([S@](C)=O)c2)c(C)nn1C
365622160	ZINC000121838889	ref	9.85	-34.21	1	264.413	2.223	1	1	5	CN(CC1CC[NH+](C)CC1)C(=O)C(C1CC1)C1CC1
365622170	ZINC000121838889	high	7.45	-7.29	0	264.413	2.223	0	2	5	CN1CCC(CN(C)C(=O)C(C2CC2)C2CC2)CC1
365622177	ZINC000121842837	ref	4.05	-12.84	0	284.315	2.429	2	3	4	Cc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1C(N)=O
365622186	ZINC000121833514	ref	5.43	-12.98	0	298.346	2.002	1	5	5	COc1ccc(-n2cc(CNC(=O)C=C3CCC3)nn2)cc1
365622196	ZINC000121836387	ref	7.61	-7.99	0	269.41	2.3	0	3	4	O=C(C1CCC1)N(C[C@@H]1CCCO1)[C@H]1CCSC1
365622204	ZINC000121833656	ref	5.65	-54.4	1	274.389	2.291	1	2	6	C[S@@](=O)C[C@H]([NH2+]Cc1ccncc1)c1ccccc1
349535972	ZINC000621499644	ref	7.55	-9.98	0	272.339	3.148	1	1	3	O=C(NCC[C@H]1CC1(F)F)N1C2CCCC1CCC2
365622208	ZINC000121833656	mid	4.55	-13.08	0	274.389	2.291	1	3	6	C[S@@](=O)C[C@H](NCc1ccncc1)c1ccccc1
365622215	ZINC000121833937	ref	8.5	-44.48	1	296.455	2.384	1	2	6	CCC(CC)CC(=O)N1CCC(C[NH+]2CCOCC2)CC1
343994352	ZINC000079928586	low	3.57	-35.46	1	259.309	2.114	1	4	7	COCCOc1ccc(CNc2cccc[nH+]2)cn1
398246252	ZINC000645407191	ref	6.74	-5.25	0	246.354	2.928	0	3	1	Cc1ccnc(N2C[C@@H](C)OC3(CCCC3)C2)c1
219048499	ZINC000350683023	ref	8.65	-23.93	1	278.4	2.067	1	4	5	CO[C@@H]1CC[C@@H](Nc2cc(C(C)C)[nH+]c(N(C)C)n2)C1
219048501	ZINC000350683023	mid	8.44	-6.86	0	278.4	2.067	1	5	5	CO[C@@H]1CC[C@@H](Nc2cc(C(C)C)nc(N(C)C)n2)C1
214189727	ZINC000293645758	ref	1.67	-71.83	1	374.441	0.04	2	5	6	O=C1COc2ccc(C[NH2+][C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2N1
214189730	ZINC000293645758	mid	0.49	-16.36	0	374.441	0.04	2	6	6	O=C1COc2ccc(CN[C@H]3CC(=O)N(CCN4CCOCC4)C3)cc2N1
282120180	ZINC000151581990	ref	6.29	-19.07	0	312.454	2.489	1	3	7	CCCNC(=O)CCCC(=O)N1CCC(OC(C)(C)C)CC1
219048506	ZINC000350684848	ref	7.64	-11.7	0	287.354	2.407	1	4	8	Cc1nc(NCCOCC(F)F)nc(C)c1CC(C)C
219048511	ZINC000350684300	ref	4.77	-7.82	0	255.321	2.103	1	4	2	C[C@@H]1C[C@H](O)CN1c1cncc(-c2ccccc2)n1
197596531	ZINC000162854589	ref	7.99	-42.81	1	320.234	3.27	1	2	4	Cc1c(C[NH2+]C2(c3cccc(Br)c3)CC2)cnn1C
342082355	ZINC000032464875	ref	8.35	-18.52	0	297.358	1.652	0	3	2	CC(=O)N1CCCN(C(=O)/C=C/c2ccccc2C#N)CC1
349535697	ZINC000621244683	ref	6.02	-9.64	0	274.364	2.149	1	2	3	CC1(c2ccccc2)CN(C(=O)NC[C@H]2CCCO2)C1
197596532	ZINC000162854589	mid	6.82	-7.3	0	320.234	3.27	1	3	4	Cc1c(CNC2(c3cccc(Br)c3)CC2)cnn1C
343994357	ZINC000079939975	ref	7.27	-41.86	1	282.428	2.04	2	2	8	CCC[C@@H]1C[C@H]1C(=O)NC1CC[NH+](CCCOC)CC1
219048513	ZINC000350686106	ref	6.93	-10.87	0	298.317	3.386	2	2	5	O=C(NCCc1ccc[nH]1)c1cc(F)ccc1-c1ccoc1
219048516	ZINC000350694745	ref	8.99	-8.42	0	290.363	3.41	0	3	3	Cc1ccc([N+](=O)[O-])cc1C(=O)N1CC(C)(C)[C@H]1C(C)C
219048519	ZINC000350690187	ref	5.71	-9.59	0	255.252	3.265	0	4	2	Cc1ccc(Oc2ncnc3cccc(F)c23)cn1
343994366	ZINC000079939975	high	4.91	-7.8	0	282.428	2.04	1	3	8	CCC[C@@H]1C[C@H]1C(=O)NC1CCN(CCCOC)CC1
219048525	ZINC000350688695	ref	8.55	-12.41	0	267.319	3.471	0	1	2	CC(C)[C@H]1N(C(=O)c2ccc(F)cc2F)CC1(C)C
342082356	ZINC000625331955	ref	2.89	-10.14	0	278.418	1.51	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCC[C@@H]1C)OCC
342082357	ZINC000625331109	ref	1.75	-8.26	0	257.359	1.164	0	6	5	CC(C)OC[C@@H]1CN(Cc2cnns2)CCO1
342082358	ZINC000625331996	ref	4.75	-39.02	1	295.349	1.327	2	2	5	C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](C)C(F)(F)F
365622059	ZINC000274317910	low	7.37	-102.58	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C
365622067	ZINC000274314505	ref	6.02	-47.56	1	276.34	1.604	1	5	4	Cc1c(-c2cc(C[N@H+](C)[C@@H]3CCOC3)on2)cnn1C
398246256	ZINC000645407191	mid	7.03	-29.73	1	246.354	2.928	0	2	1	Cc1cc[nH+]c(N2C[C@@H](C)OC3(CCCC3)C2)c1
398246260	ZINC000639101392	ref	1.87	-40.87	1	244.335	0.104	1	3	6	CO[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H]1CCOC1
398246264	ZINC000639101392	high	0.67	-11.37	0	244.335	0.104	1	4	6	CO[C@@H](CN[C@@H](C)C(=O)N(C)C)[C@H]1CCOC1
365622075	ZINC000274314505	mid	6.1	-46.36	1	276.34	1.604	1	5	4	Cc1c(-c2cc(C[N@@H+](C)[C@@H]3CCOC3)on2)cnn1C
342082359	ZINC000625331996	mid	2.38	-5.38	0	295.349	1.327	1	3	5	C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H](C)C(F)(F)F
342082360	ZINC000625331996	mid	4.81	-42.17	1	295.349	1.327	2	2	5	C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H](C)C(F)(F)F
342082361	ZINC000625331173	ref	0.98	-12.66	0	276.383	1.13	1	5	4	C[C@@H]1C[C@H](S(=O)(=O)NCc2ccns2)CCO1
342082362	ZINC000046660618	ref	3.21	-19.35	0	251.286	1.465	2	4	5	CCOC(=O)NCCC(=O)Nc1cc(C)ccn1
365622083	ZINC000274314505	mid	3.8	-9.72	0	276.34	1.604	0	6	4	Cc1c(-c2cc(CN(C)[C@@H]3CCOC3)on2)cnn1C
342082363	ZINC000625332107	ref	4.41	-16.86	0	298.774	1.206	1	4	5	Cn1cc(Cl)c(C(=O)NCCCN2CCCCC2=O)n1
342082364	ZINC000625331110	ref	2.0	-8.87	0	257.359	1.164	0	6	5	CC(C)OC[C@H]1CN(Cc2cnns2)CCO1
365622091	ZINC000274316356	ref	8.57	-21.44	0	291.282	1.604	1	5	3	Cn1c(NC(=O)C[C@@H]2COC(=O)C2)nc2ccc(F)cc21
365622105	ZINC000274317002	ref	5.73	-13.37	0	286.331	1.766	1	3	4	O=C1CCc2cc(C(=O)CCC(=O)N3CCC3)ccc2N1
412491635	ZINC000427781838	ref	0.81	-12.67	0	321.428	-0.393	1	8	5	COC[C@@H](C)S(=O)(=O)N1CCN(c2nc(N)ns2)CC1
398246271	ZINC000639101393	ref	2.47	-42.85	1	244.335	0.104	1	3	6	CO[C@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@H]1CCOC1
133427863	ZINC000306422945	ref	1.54	-7.81	0	163.18	0.163	2	2	2	CC#CCNC(=O)c1ccn[nH]1
398246273	ZINC000639101393	high	1.33	-10.06	0	244.335	0.104	1	4	6	CO[C@H](CN[C@@H](C)C(=O)N(C)C)[C@H]1CCOC1
365622118	ZINC000274317813	ref	6.21	-48.69	1	263.345	1.282	2	3	3	CC(C)C[NH+]1CCN(C(=O)Nc2cncnc2)CC1
342082365	ZINC000625332133	ref	1.7	-17.0	0	290.41	1.379	1	5	7	O=S(=O)(CCC[C@H]1CCOC1)NCc1ccns1
343995011	ZINC000625564105	mid	9.25	-32.63	1	201.313	3.219	1	0	2	C[C@H]1C[C@H]1C[N@H+]1Cc2ccccc2[C@H]1C
398246274	ZINC000336778962	ref	1.22	-6.13	0	223.276	1.214	1	5	4	C[C@@H]1OCC[C@H]1NCc1noc(C2CC2)n1
398246280	ZINC000336778962	low	2.35	-39.09	1	223.276	1.214	1	4	4	C[C@@H]1OCC[C@H]1[NH2+]Cc1noc(C2CC2)n1
185089906	ZINC000096075939	ref	4.05	-34.32	1	279.359	1.517	1	3	5	COCC[N@@H+]1CC[C@@]12CCN(Cc1ccncc1F)C2
214189728	ZINC000337635049	ref	0.16	-17.69	0	293.314	0.957	3	3	6	CC(C)(CNC(=O)N[C@H]1CCC[C@H]1OC(F)F)C(N)=O
185089908	ZINC000096075939	mid	4.08	-34.83	1	279.359	1.517	1	3	5	COCC[N@H+]1CC[C@@]12CCN(Cc1ccncc1F)C2
199273154	ZINC000294964392	ref	9.94	-11.46	0	295.337	3.084	1	5	4	CCn1cnc2c(NC[C@H]3CCCCC3(F)F)ncnc21
185089909	ZINC000096075939	high	1.03	-4.89	0	279.359	1.517	0	4	5	COCCN1CC[C@@]12CCN(Cc1ccncc1F)C2
349535699	ZINC000258951488	ref	7.21	-7.98	0	228.255	1.886	0	5	3	Cc1ccc(CN(C)c2cc(C#N)ncn2)o1
299072374	ZINC000358088478	low	7.06	-191.16	3	318.469	1.417	3	3	6	CC[N@H+]1C[C@H](C)[C@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1
349535707	ZINC000258999523	ref	2.92	-41.99	1	234.299	0.909	2	3	4	c1cc2c(cc1CCN[C@H]1CC[NH2+]C1)OCO2
349535719	ZINC000258999523	mid	4.09	-123.11	2	234.299	0.909	2	2	4	c1cc2c(cc1CC[NH2+][C@H]1CC[NH2+]C1)OCO2
185089913	ZINC000096075404	ref	7.87	-48.19	1	274.364	2.423	1	2	4	C=CCN1C(=O)CCC12CC[NH+](Cc1ccco1)CC2
197596536	ZINC000162858660	ref	3.06	-8.31	0	305.346	2.199	1	3	3	C[C@@H]1CC(NS(=O)(=O)c2ccc(F)cc2F)C[C@@H](C)O1
214189732	ZINC000337632909	ref	0.11	-11.51	0	263.313	0.042	3	3	8	COC[C@H](C)CNC(=O)N[C@@H](C)C(=O)NCCF
197596537	ZINC000162858660	high	2.84	-40.66	-1	305.346	2.199	0	3	3	C[C@@H]1CC([N-]S(=O)(=O)c2ccc(F)cc2F)C[C@@H](C)O1
349535724	ZINC000258984050	ref	5.46	-7.71	0	226.732	2.795	1	3	4	N#CC1(CNCc2ccc(Cl)s2)CC1
199273156	ZINC000294964374	ref	4.94	-13.98	0	275.348	1.135	2	3	8	C#CCO[C@H](C)C(=O)NC[C@@H](O)CCc1ccccc1
185089914	ZINC000096075404	mid	5.6	-9.48	0	274.364	2.423	0	3	4	C=CCN1C(=O)CCC12CCN(Cc1ccco1)CC2
214189735	ZINC000337634200	ref	1.05	-15.63	0	273.354	0.717	2	5	7	C[C@H](O)CN(C(=O)COc1ccsc1)[C@H](C)CO
214189739	ZINC000337634847	ref	8.39	-40.67	1	277.412	2.103	3	1	4	O=C(NCC1(C2CC2)CC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12
214189740	ZINC000337634847	mid	7.72	-38.86	1	277.412	2.103	3	1	4	O=C(NCC1(C2CC2)CC1)N[C@@H]1CC[N@H+]2CCCC[C@H]12
342082366	ZINC000625331665	ref	6.98	-17.91	0	269.304	1.942	1	3	1	C[C@H]1c2ccccc2CCN1C(=O)c1cc(=O)[nH]cn1
342082367	ZINC000625331665	high	5.83	-42.68	-1	269.304	1.942	0	3	1	C[C@H]1c2ccccc2CCN1C(=O)c1cc(=O)[n-]cn1
342082368	ZINC000625331957	ref	2.72	-10.51	0	278.418	1.51	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCC[C@H]1C)OCC
342082369	ZINC000625332134	ref	1.6	-16.39	0	290.41	1.379	1	5	7	O=S(=O)(CCC[C@@H]1CCOC1)NCc1ccns1
219048498	ZINC000097696258	ref	8.99	-13.74	0	334.383	1.449	1	6	3	O=C(c1ccnc(-n2cnnc2)c1)N1CCN[C@@H](c2ccccc2)C1
219048500	ZINC000097696258	mid	10.09	-61.23	1	334.383	1.449	1	5	3	O=C(c1ccnc(-n2cnnc2)c1)N1CC[NH2+][C@@H](c2ccccc2)C1
214189729	ZINC000053605826	high	6.36	-5.97	0	328.46	3.12	0	5	7	CCCCc1nc(CN2CCCN(Cc3ccccc3)CC2)no1
219048503	ZINC000097695016	ref	7.91	-17.26	0	344.44	2.791	1	5	5	CCCc1nnc(NC(=O)[C@@H]2CCN(c3ccc(C)cc3)C2=O)s1
219048505	ZINC000097696235	ref	5.82	-14.97	0	349.39	2.81	2	4	6	Cc1ccc(-c2ccc(C(=O)NCCNC(=O)c3cccnc3)cc2)o1
178291731	ZINC000236986042	ref	4.21	-50.1	1	373.906	1.854	2	3	7	CC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl
178291733	ZINC000236986921	ref	5.81	-54.8	1	367.515	1.848	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1
178291739	ZINC000236986921	high	4.68	-13.19	0	367.515	1.848	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)NC[C@H]2C)c1
178291742	ZINC000236995382	ref	5.46	-49.51	1	374.485	1.499	3	4	7	CCC[C@H](NC(=O)[C@@H]1C[NH2+]CCO1)C(=O)Nc1cccc(N2CCCC2)c1
178291744	ZINC000236995382	mid	4.11	-10.95	0	374.485	1.499	3	5	7	CCC[C@H](NC(=O)[C@@H]1CNCCO1)C(=O)Nc1cccc(N2CCCC2)c1
178291748	ZINC000236990933	ref	3.86	-56.57	1	373.906	1.854	2	3	7	CC[NH2+]CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1
178291753	ZINC000236985996	ref	3.36	-50.25	1	359.879	1.464	2	3	7	CC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl
178291757	ZINC000236993200	ref	6.42	-91.72	2	350.511	1.753	3	4	10	CCC[NH+](CCC)CCCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C
178291761	ZINC000236992878	ref	3.84	-50.04	1	373.544	1.437	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@]2(C)CC[NH2+]C2)s1
178291765	ZINC000236985634	ref	3.96	-53.87	1	353.488	1.589	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC([NH3+])CC2)c1
178291770	ZINC000236992402	ref	7.82	-51.87	1	355.446	1.252	3	6	6	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2
178291776	ZINC000236991608	ref	7.38	-50.77	1	359.478	1.685	2	6	9	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[C@@H]([NH3+])C(C)C
342598061	ZINC000590809105	ref	4.97	-13.92	0	293.758	1.814	2	3	3	Cc1nn(CC(=O)N=c2cc(C3CC3)[nH][nH]2)c(C)c1Cl
197596541	ZINC000162859380	ref	4.17	-15.78	0	319.361	2.104	2	5	5	COC[C@H](NC(=O)Nc1cn(C)c(=O)cc1C)c1ccc(C)o1
214189731	ZINC000053600870	ref	7.44	-10.23	0	337.419	2.988	2	3	7	O=C(CCC(=O)c1ccc2c(c1)CCC2)NC[C@@H](O)c1ccccc1
214189736	ZINC000053605751	ref	1.51	-11.3	0	343.453	0.651	0	6	7	CCN(CC)S(=O)(=O)N1CCN(Cc2noc(C3CC3)n2)CC1
185089917	ZINC000096075665	ref	7.05	-44.98	1	296.411	1.125	1	3	5	COCC(=O)N1CCC[C@@]2(C[C@@H](C[N@H+](C)C3CC3)CO2)C1
185089919	ZINC000096075665	mid	7.27	-45.32	1	296.411	1.125	1	3	5	COCC(=O)N1CCC[C@@]2(C[C@@H](C[N@@H+](C)C3CC3)CO2)C1
185089921	ZINC000096077977	ref	4.7	-48.13	1	291.395	1.408	1	3	4	CN(C)C(=O)CN1CCC12CC[NH+](Cc1ccco1)CC2
185089923	ZINC000096077977	mid	5.39	-36.21	1	291.395	1.408	1	3	4	CN(C)C(=O)C[N@@H+]1CCC12CCN(Cc1ccco1)CC2
349535703	ZINC000621244307	ref	3.81	-8.98	0	254.305	2.29	2	2	5	COc1ccc(F)c(CNC(=O)NCC(C)C)c1
349535708	ZINC000621246556	ref	7.69	-41.41	1	268.788	2.34	2	1	7	CNC(=O)C[N@H+](C)CCCCc1cccc(Cl)c1
349535711	ZINC000621246556	mid	7.7	-41.44	1	268.788	2.34	2	1	7	CNC(=O)C[N@@H+](C)CCCCc1cccc(Cl)c1
190491997	ZINC000269406812	ref	7.38	-13.65	0	261.321	2.076	1	3	5	COC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(C)cc1
342598062	ZINC000590808748	ref	7.01	-50.81	1	291.395	1.94	2	3	5	CC(C)COc1ncccc1C(=O)N[C@H]1CCC[N@H+](C)C1
349535714	ZINC000621246556	high	5.44	-9.17	0	268.788	2.34	1	2	7	CNC(=O)CN(C)CCCCc1cccc(Cl)c1
349535717	ZINC000621245433	ref	2.54	-3.21	0	271.158	2.449	0	3	3	COc1cc(CN2CCCC2)c(Br)cn1
349535720	ZINC000621245433	mid	4.92	-33.59	1	271.158	2.449	1	2	3	COc1cc(C[NH+]2CCCC2)c(Br)cn1
349535725	ZINC000621245254	ref	3.83	-10.83	0	266.316	2.308	2	2	2	C[C@H]1CCN(C(=O)Nc2cccc(F)c2)C[C@H]1CO
349535732	ZINC000621245630	ref	3.91	-7.23	0	274.393	2.169	0	5	3	Cc1cc(CN2CCN(c3nccs3)CC2)ccn1
342598063	ZINC000590808748	mid	6.5	-47.53	1	291.395	1.94	2	3	5	CC(C)COc1ncccc1C(=O)N[C@H]1CCC[N@@H+](C)C1
349535735	ZINC000621245630	low	6.36	-45.62	1	274.393	2.169	1	4	3	Cc1cc(C[NH+]2CCN(c3nccs3)CC2)ccn1
349535739	ZINC000621244392	ref	4.0	-14.91	0	258.272	2.07	2	3	5	CCn1cc(NC(=O)NCC[C@H]2CC2(F)F)cn1
349535743	ZINC000621244591	ref	4.34	-10.14	0	295.814	2.473	1	3	5	CCCNC(=O)C1CCN(Cc2cncc(Cl)c2)CC1
349535748	ZINC000621244591	mid	6.69	-52.34	1	295.814	2.473	2	2	5	CCCNC(=O)C1CC[NH+](Cc2cncc(Cl)c2)CC1
398246258	ZINC000651452577	ref	8.21	-6.87	0	250.386	3.007	1	1	1	C[C@H]1C[C@H](C)CN(C(=O)NC2CC3(CCC3)C2)C1
342082370	ZINC000625331495	ref	2.28	-6.48	0	295.408	1.583	0	6	3	COc1cncc(CN2CCSC3(CCOCC3)C2)n1
365622062	ZINC000172807540	high	2.2	-5.22	0	269.776	1.994	2	4	5	O[C@@H](CNc1ccc(Cl)cn1)CN1CCCCC1
342082371	ZINC000625331495	mid	3.21	-44.07	1	295.408	1.583	1	5	3	COc1cncc(C[N@@H+]2CCSC3(CCOCC3)C2)n1
342082372	ZINC000625331495	mid	3.97	-44.25	1	295.408	1.583	1	5	3	COc1cncc(C[N@H+]2CCSC3(CCOCC3)C2)n1
342082373	ZINC000022011401	ref	8.85	-41.67	1	257.33	1.357	1	4	9	CCOC(=O)CC[NH+](CCC(=O)OCC)C1CC1
342082374	ZINC000022011401	high	6.78	-7.36	0	257.33	1.357	0	5	9	CCOC(=O)CCN(CCC(=O)OCC)C1CC1
342082375	ZINC000625331399	ref	3.75	-12.03	0	295.437	1.604	0	7	4	Cn1cc(CCN2CCSC[C@H]2c2nccs2)nn1
342082376	ZINC000625331399	low	6.1	-38.66	1	295.437	1.604	1	6	4	Cn1cc(CC[N@@H+]2CCSC[C@H]2c2nccs2)nn1
398246263	ZINC000651446822	ref	8.01	-5.92	0	267.376	3.26	0	3	1	Cc1cnc(C)c(N2CCc3ccccc3[C@@H](C)C2)n1
365622068	ZINC000172811506	ref	5.9	-44.78	1	278.352	1.714	2	3	5	C[N@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)O
342082377	ZINC000625331399	low	5.99	-42.56	1	295.437	1.604	1	6	4	Cn1cc(CC[N@H+]2CCSC[C@H]2c2nccs2)nn1
342082378	ZINC000625332278	ref	7.93	-39.85	1	298.39	1.879	1	4	3	Cn1cc(CC[N@@H+]2CCC[C@]3(C2)OCc2ccccc23)nn1
342082379	ZINC000625332278	mid	7.81	-42.5	1	298.39	1.879	1	4	3	Cn1cc(CC[N@H+]2CCC[C@]3(C2)OCc2ccccc23)nn1
365622074	ZINC000172811506	mid	4.16	-14.64	0	278.352	1.714	2	3	5	C[N@@H+](C[C@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)O
365622079	ZINC000172811506	high	4.16	-14.64	0	278.352	1.714	1	4	5	CN(C[C@H]1CN(c2ccccc2)C(=O)O1)CC(C)(C)O
214189733	ZINC000293645758	low	4.1	-125.39	2	374.441	0.04	3	4	6	O=C1COc2ccc(C[NH2+][C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2N1
365622085	ZINC000172811331	ref	8.54	-10.85	0	275.356	1.863	1	5	1	C[C@@H]1CCCN1c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
365622095	ZINC000172806920	ref	4.44	-49.21	1	262.309	1.078	2	3	3	O=C1O[C@@H](C[N@H+]2CC[C@@H](O)C2)CN1c1ccccc1
365638782	ZINC000123487230	ref	6.99	-30.97	0	290.175	2.43	0	4	3	Cn1cnnc1C[S@](=O)c1ccc(Cl)c(Cl)c1
398246267	ZINC000651452276	ref	9.05	-6.95	0	250.386	3.151	1	1	5	CCCN(CC1CC1)C(=O)NC1CC2(CCC2)C1
342082380	ZINC000625332278	high	5.46	-11.67	0	298.39	1.879	0	5	3	Cn1cc(CCN2CCC[C@]3(C2)OCc2ccccc23)nn1
342082381	ZINC000625331191	ref	6.41	-7.67	0	267.369	1.481	0	4	7	CCO[C@@H](CN1CCO[C@@H](C(=O)C2CC2)C1)C1CC1
214189734	ZINC000293638026	ref	8.12	-16.13	0	355.394	0.907	0	6	2	C[C@@H]1CN(C(=O)/C=C/c2cn(C)c(=O)n(C)c2=O)Cc2ccccc2O1
214189737	ZINC000293642635	ref	1.62	-12.27	0	364.398	0.978	3	6	5	COCc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](O)CC2)cc(C(=O)OC)c1
219048508	ZINC000097694971	ref	9.95	-42.55	1	338.842	4.058	1	3	3	Clc1cccc2ccc(C[N@@H+]3CCC[C@@H](c4ccncn4)C3)nc12
342598064	ZINC000590808748	mid	4.14	-13.59	0	291.395	1.94	1	4	5	CC(C)COc1ncccc1C(=O)N[C@H]1CCCN(C)C1
342598065	ZINC000590807551	ref	3.68	-20.74	0	288.351	1.443	3	3	5	CNC(=O)C[C@H](C)NC(=O)N[C@H](C)c1cccc(C#N)c1
342598066	ZINC000079255420	ref	4.15	-12.07	0	255.362	1.198	2	2	6	CC(C)C(=O)NCCNC(=O)N(C)[C@@H](C)C1CC1
342600589	ZINC000616999444	mid	4.0	-35.94	1	270.417	1.63	3	2	4	CC(C)[C@](C)(O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600590	ZINC000616999832	ref	4.98	-38.81	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(C)CCOC2)C1
342600591	ZINC000616999832	mid	4.95	-38.29	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(C)CCOC2)C1
197596550	ZINC000162850970	ref	5.17	-44.61	1	303.406	2.282	3	2	8	CCCC[C@H](C[NH3+])NC(=O)c1cccc(NC(=O)C2CC2)c1
197596551	ZINC000162859020	ref	5.45	-40.43	1	304.434	2.786	2	2	6	CC[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)Oc1cccc(C)c1
342600592	ZINC000616999858	ref	4.45	-8.98	0	258.299	1.506	0	6	4	CO[C@H]1CN(c2ccsc2[N+](=O)[O-])C[C@H]1OC
214189741	ZINC000293636322	ref	1.01	-16.28	0	368.455	0.837	3	5	5	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O
219048510	ZINC000097694971	mid	10.96	-41.98	1	338.842	4.058	1	3	3	Clc1cccc2ccc(C[N@H+]3CCC[C@@H](c4ccncn4)C3)nc12
219048512	ZINC000097694971	mid	8.71	-9.76	0	338.842	4.058	0	4	3	Clc1cccc2ccc(CN3CCC[C@@H](c4ccncn4)C3)nc12
365622066	ZINC000576536013	ref	10.56	-39.27	1	241.378	3.351	1	0	3	CC1(C)CC[C@@H]1[NH2+]C[C@@H]1[C@H]2Cc3ccccc3[C@H]21
365622076	ZINC000576538295	ref	8.03	-37.23	1	224.348	1.753	1	1	6	CN(CCC[NH+](C)C)C(=O)C[C@H]1C=CCC1
365622087	ZINC000576581750	ref	-0.69	-49.41	1	243.351	-0.048	2	3	7	C[C@@H]1COCCN1CCNC(=O)CCCC[NH3+]
365622097	ZINC000576581750	low	1.33	-92.69	2	243.351	-0.048	3	2	7	C[C@@H]1COCC[N@@H+]1CCNC(=O)CCCC[NH3+]
365622107	ZINC000576581750	low	1.5	-91.68	2	243.351	-0.048	3	2	7	C[C@@H]1COCC[N@H+]1CCNC(=O)CCCC[NH3+]
343995013	ZINC000235537721	ref	5.24	-1.97	0	202.363	3.212	1	2	3	C[C@H](O)[C@@H](C)SC1CCCCCC1
365622113	ZINC000175905846	ref	4.14	-13.78	0	208.261	0.783	0	3	2	C[C@@H](C(=O)N1CCOC[C@@H]1C#N)C1CC1
365622093	ZINC000625029906	ref	3.25	-10.87	0	318.377	2.255	2	6	8	CNc1cnc(C(=O)N[C@@H](COCC(C)C)c2ccco2)cn1
342598067	ZINC000590810094	ref	4.53	-38.34	1	253.371	1.746	1	3	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cscn2)C1
342598068	ZINC000364848581	ref	3.54	-9.34	0	273.398	1.685	1	3	6	C=CCCS(=O)(=O)N[C@@H]1[C@H](C)[C@@H](OC)C12CCC2
197596555	ZINC000162852822	ref	5.58	-10.21	0	313.401	2.865	1	4	6	CC(C)Oc1cc(CNC(=O)c2ccc(N(C)C)cc2)ccn1
342598069	ZINC000590824835	ref	6.44	-41.32	1	289.383	1.877	2	3	2	Cc1ncc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1
197596557	ZINC000162855816	ref	7.09	-9.82	0	324.808	2.999	1	3	3	CCOC(=O)N1CCC(NC(=O)c2cc(Cl)ccc2C)CC1
197596558	ZINC000162861779	ref	4.51	-17.9	0	323.462	2.73	3	3	6	CC[C@@H](C)NC(=O)CCNC(=O)N[C@H]1CCCc2sccc21
214189738	ZINC000053608574	ref	4.58	-14.92	0	336.823	3.136	1	5	8	CCCCc1nc(CN(C)CC(=O)Nc2cccc(Cl)c2)no1
398246268	ZINC000390775825	ref	2.29	-39.9	1	223.345	1.327	1	3	2	c1ncc(CN2CC[C@H]3CC[NH2+][C@@H]3C2)s1
214189742	ZINC000053603512	ref	6.26	-12.85	0	344.459	3.408	1	5	8	CCCCc1nc(CN(C)CC(=O)Nc2c(C)cc(C)cc2C)no1
214189745	ZINC000053606797	ref	5.19	-11.21	0	346.818	2.558	0	5	4	O=C(c1ccc(Cl)cc1)N1CCN(Cc2noc(C3CC3)n2)CC1
214189749	ZINC000053604082	ref	1.81	-18.22	0	346.456	1.865	2	5	7	CC(C)NC(=O)CN(C)Cc1csc(-c2ccc(C(N)=O)cc2)n1
342598070	ZINC000590809527	ref	1.98	-27.53	0	299.29	1.512	3	4	2	Cc1oc2nc[nH]c(=O)c2c1C(=O)N=c1cc(C2CC2)[nH][nH]1
214189752	ZINC000053608890	ref	4.54	-15.36	0	346.799	2.931	1	6	5	NC(=O)c1cc(Cl)ccc1OCc1csc(-c2ncccn2)n1
214189757	ZINC000053597768	ref	10.36	-17.18	0	345.468	2.954	0	5	5	CCc1cc2c(=O)n(CC(=O)N(C3CCCC3)C3CC3)cnc2s1
214189760	ZINC000053609316	ref	5.15	-11.96	0	328.416	2.459	0	5	4	Cc1ccc(C(=O)N2CCN(Cc3noc(C(C)C)n3)CC2)cc1
214189764	ZINC000053602186	ref	2.78	-11.4	0	331.441	2.518	1	5	4	C[C@@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@@H](C)O1
214189767	ZINC000053602186	low	4.88	-42.89	1	331.441	2.518	2	4	4	C[C@@H]1C[NH+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@@H](C)O1
214189770	ZINC000053602043	ref	5.92	-14.09	0	335.289	2.213	2	6	2	O[C@H]1Cc2ccccc2[C@H]1Nc1ccc2nnc(C(F)(F)F)n2n1
342598071	ZINC000354472456	ref	5.0	-19.33	0	280.287	1.326	1	5	4	CNC(=O)c1cccc(C(=O)[C@H](C#N)c2ccncn2)c1
342598072	ZINC000354472456	high	4.45	-46.52	-1	280.287	1.326	1	5	3	CNC(=O)c1cccc(C([O-])=C(C#N)c2ccncn2)c1
342598073	ZINC000354472456	high	5.02	-19.55	0	280.287	1.326	1	5	4	CNC(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1
342598074	ZINC000590809863	ref	3.98	-14.58	0	294.298	1.053	2	4	7	CCOC(=O)COCCNC(=O)N[C@H]1CCC(F)(F)C1
365622100	ZINC000625028499	ref	5.7	-9.73	0	316.445	2.407	1	3	5	C[C@@H]1CN(CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1
342598075	ZINC000590813344	ref	5.0	-42.2	1	297.443	1.526	2	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1
365622108	ZINC000625028499	low	8.13	-45.22	1	316.445	2.407	2	2	5	C[C@@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1
365622112	ZINC000625028499	low	8.09	-44.92	1	316.445	2.407	2	2	5	C[C@@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1
365622119	ZINC000625028407	ref	5.33	-12.05	0	313.394	2.47	0	3	3	CC1(C)C[C@@H](S(=O)(=O)N2CC[C@H]2c2cccc(F)c2)CO1
365622129	ZINC000625030758	ref	7.64	-17.14	0	307.438	2.36	1	2	2	C[C@H]1CCC[C@@H](C)CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365622140	ZINC000625028496	ref	5.85	-9.87	0	316.445	2.407	1	3	5	C[C@H]1CN(CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1
365622147	ZINC000625028496	low	8.09	-44.86	1	316.445	2.407	2	2	5	C[C@H]1C[N@H+](CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1
365622154	ZINC000625028496	low	8.13	-45.32	1	316.445	2.407	2	2	5	C[C@H]1C[N@@H+](CCNC(=O)[C@@H]2CC[C@@H](c3ccccc3)C2)CCO1
365622163	ZINC000625028405	ref	5.37	-12.07	0	313.394	2.47	0	3	3	CC1(C)C[C@H](S(=O)(=O)N2CC[C@H]2c2cccc(F)c2)CO1
365622166	ZINC000625029842	ref	6.64	-9.77	0	321.508	2.205	0	4	7	CCO[C@@H](CS(=O)(=O)N1CCS[C@@H](C(C)C)C1)C1CC1
365622174	ZINC000625028410	ref	5.32	-11.94	0	313.394	2.47	0	3	3	CC1(C)C[C@@H](S(=O)(=O)N2CC[C@@H]2c2cccc(F)c2)CO1
365622182	ZINC000625029833	ref	4.8	-10.2	0	301.383	2.327	0	3	5	CO[C@H](CS(=O)(=O)N1CCC[C@H]1C)c1ccc(F)cc1
365622188	ZINC000625028495	ref	4.15	-18.7	0	304.39	2.077	2	3	3	Cc1cccc(O)c1C(=O)N1CCC[C@H](NC(=O)C(C)C)C1
365622195	ZINC000625028495	high	4.92	-67.8	-1	304.39	2.077	1	3	3	Cc1cccc([O-])c1C(=O)N1CCC[C@H](NC(=O)C(C)C)C1
365622201	ZINC000625028544	ref	3.03	-13.97	0	320.361	2.146	0	4	5	CC1(C)CCN(S(=O)(=O)c2cccnc2OCC(F)F)C1
398246270	ZINC000313440686	ref	6.63	-13.6	0	241.294	2.631	1	3	4	CC[C@](C)(C#N)C(=O)Nc1cccc(CC#N)c1
365622211	ZINC000625029628	ref	6.25	-15.34	0	305.403	2.11	0	4	3	Cc1ncc(S(=O)(=O)N2C[C@H](C)[C@@H]2c2ccccc2)n1C
365622101	ZINC000172806920	mid	4.42	-49.97	1	262.309	1.078	2	3	3	O=C1O[C@@H](C[N@@H+]2CC[C@@H](O)C2)CN1c1ccccc1
365622106	ZINC000172806920	high	1.85	-15.93	0	262.309	1.078	1	4	3	O=C1O[C@@H](CN2CC[C@@H](O)C2)CN1c1ccccc1
365622116	ZINC000172812546	ref	4.98	-43.84	1	264.373	1.333	3	2	6	CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1cc[nH]n1
365622121	ZINC000172812546	mid	3.46	-13.52	0	264.373	1.333	3	2	6	CC[C@@H]1CCCC[N@H+]1CCNC(=O)Cc1cc[nH]n1
365622126	ZINC000172812546	high	3.46	-13.52	0	264.373	1.333	2	3	6	CC[C@@H]1CCCCN1CCNC(=O)Cc1cc[nH]n1
365622134	ZINC000172813444	ref	2.75	-19.8	0	299.396	1.065	2	5	6	CC(C)Nc1ncccc1C(=O)N[C@H](C)CS(C)(=O)=O
365622142	ZINC000172811336	ref	8.52	-10.9	0	275.356	1.863	1	5	1	C[C@H]1CCCN1c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
365622148	ZINC000172813166	ref	5.08	-10.66	0	290.363	1.188	1	3	6	CC(=O)NCC(=O)N1CC[C@@H](COCc2ccccc2)C1
365622156	ZINC000172813160	ref	5.07	-10.64	0	290.363	1.188	1	3	6	CC(=O)NCC(=O)N1CC[C@H](COCc2ccccc2)C1
365622164	ZINC000172805491	ref	5.44	-39.86	1	278.356	1.092	2	4	3	Cc1cc(NC(=O)CN2CC[N@@H+]3CCCC[C@@H]3C2)no1
398246272	ZINC000651452442	ref	8.77	-12.02	0	276.355	3.3	1	1	3	CN(Cc1ccccc1F)C(=O)NC1CC2(CCC2)C1
365622172	ZINC000172805491	mid	5.32	-38.98	1	278.356	1.092	2	4	3	Cc1cc(NC(=O)CN2CC[N@H+]3CCCC[C@@H]3C2)no1
365622175	ZINC000172805491	mid	3.07	-9.05	0	278.356	1.092	1	5	3	Cc1cc(NC(=O)CN2CCN3CCCC[C@@H]3C2)no1
365622184	ZINC000172804005	ref	4.92	-10.21	0	269.366	1.458	1	4	5	C[C@H](CNC(=O)[C@@H]1COCCO1)Cc1cccs1
365622191	ZINC000172816923	ref	2.8	-12.68	0	251.315	1.624	1	6	3	CCn1nc(C)c(NC(=O)c2cnns2)c1C
365638787	ZINC000172922123	low	6.98	-41.03	1	295.774	1.881	1	4	6	CCn1nc(C)c(C(=O)NCCCn2cc[nH+]c2)c1Cl
365638791	ZINC000172920982	ref	6.73	-11.38	0	255.265	1.967	0	5	5	COC[C@@H](C)Sc1nncn1CC(F)(F)F
365638796	ZINC000172923772	ref	5.2	-43.46	1	272.78	1.546	2	3	6	CCn1nc(C)c(C(=O)NCCC[NH+](C)C)c1Cl
398246276	ZINC000651447607	ref	10.94	-6.46	0	267.376	3.26	0	3	1	Cc1cnc(N2CCc3ccccc3[C@H](C)C2)nc1C
219048514	ZINC000097695131	ref	3.93	-9.66	0	349.46	1.978	1	7	6	C[C@H]1CN(Cc2csc(NC(=O)CCn3cccn3)n2)C[C@H](C)O1
259308740	ZINC000187712372	ref	1.98	-15.6	0	240.303	0.148	1	3	2	CO[C@@H]1CN(C(=O)[C@H]2CCC(=O)N2)CC[C@@H]1C
365638801	ZINC000172926182	ref	7.03	-9.29	0	261.354	1.946	1	6	4	Nn1c(SCC2CCC2)nnc1-c1ccccn1
398246277	ZINC000076747173	ref	8.73	-44.37	1	211.255	2.807	1	0	4	C[N@@H+](Cc1ccc(F)c(F)c1)CC1CC1
219048517	ZINC000097696136	ref	6.51	-18.78	0	346.479	3.278	2	5	6	CCc1c(C)nn(CCNC(=O)Nc2c(C)nn(C(C)C)c2C)c1C
219048521	ZINC000097696124	ref	10.8	-47.02	1	339.483	3.465	1	3	8	COCCc1ncc(C[N@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cn1
219048523	ZINC000097696124	mid	10.54	-45.31	1	339.483	3.465	1	3	8	COCCc1ncc(C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cn1
349535709	ZINC000594970332	ref	7.6	-49.54	1	284.743	2.905	1	3	6	CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1
398246281	ZINC000076747173	mid	8.76	-44.47	1	211.255	2.807	1	0	4	C[N@H+](Cc1ccc(F)c(F)c1)CC1CC1
349535713	ZINC000594970332	mid	6.27	-7.04	0	284.743	2.905	1	4	6	CCO[C@@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2Cl)C1
349535716	ZINC000594972036	ref	8.57	-52.48	1	292.329	2.756	1	2	7	N#CC1(c2ccc(C[NH2+]CCO[C@H]3CC3(F)F)cc2)CC1
349535722	ZINC000594972036	high	7.14	-12.29	0	292.329	2.756	1	3	7	N#CC1(c2ccc(CNCCO[C@H]3CC3(F)F)cc2)CC1
349535728	ZINC000594973079	ref	7.44	-41.58	1	254.374	2.844	1	2	7	CSCC1(CC[NH2+]Cc2ccncc2F)CC1
349535733	ZINC000594973079	high	6.07	-4.68	0	254.374	2.844	1	3	7	CSCC1(CCNCc2ccncc2F)CC1
185089925	ZINC000096077977	mid	5.4	-37.39	1	291.395	1.408	1	3	4	CN(C)C(=O)C[N@H+]1CCC12CCN(Cc1ccco1)CC2
398246282	ZINC000076747173	high	6.4	-3.91	0	211.255	2.807	0	1	4	CN(Cc1ccc(F)c(F)c1)CC1CC1
398246285	ZINC000390773719	ref	2.02	-93.92	2	211.309	-0.003	3	1	2	CC1(NC(=O)[C@H]2CCC[NH2+]2)CC[NH2+]CC1
398246286	ZINC000036135940	ref	0.91	-44.74	1	229.324	-0.047	2	2	5	CC(C)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N(C)C
214189746	ZINC000337636736	ref	-2.18	-11.66	0	282.34	0.602	2	5	6	COc1cc(C(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc(C)n1
398246287	ZINC000036135940	high	0.62	-6.87	0	229.324	-0.047	2	3	5	CC(C)C[C@@H](N)C(=O)N[C@H](C)C(=O)N(C)C
398246290	ZINC000313440685	ref	6.63	-14.31	0	241.294	2.631	1	3	4	CC[C@@](C)(C#N)C(=O)Nc1cccc(CC#N)c1
342082382	ZINC000625331191	mid	8.63	-39.17	1	267.369	1.481	1	3	7	CCO[C@@H](C[N@@H+]1CCO[C@@H](C(=O)C2CC2)C1)C1CC1
178291769	ZINC000180216464	ref	1.27	-14.04	0	234.255	1.024	2	4	2	Cc1cc2c(cc1N[C@H]1CCNC1=O)OCO2
398246291	ZINC000390775248	ref	0.51	-39.64	1	210.281	0.734	1	4	2	Cc1noc([C@@H](C)N2CCC[NH2+]CC2)n1
178291779	ZINC000194607685	ref	4.95	-6.42	0	247.294	2.828	1	4	3	Cc1cc2c(cc1NC[C@@H]1CCC=CO1)OCO2
398249332	ZINC000651463811	ref	7.66	-8.4	0	266.348	3.143	1	4	4	CCc1cccc(CNc2ccnc3c2cnn3C)c1
365622117	ZINC000617371242	ref	4.1	-34.74	1	270.373	0.638	2	3	5	COC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCOCC1
365622123	ZINC000617371242	mid	3.48	-37.28	1	270.373	0.638	2	3	5	COC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCOCC1
365622127	ZINC000617371242	mid	1.84	-8.96	0	270.373	0.638	1	4	5	COC[C@H](NC(=O)[C@H]1CCCN1C)C1CCOCC1
365622132	ZINC000617373398	ref	1.86	-8.89	0	254.286	0.846	1	5	5	COC[C@H](NC(=O)c1ccon1)C1CCOCC1
365622141	ZINC000617373310	ref	3.82	-11.07	0	295.383	0.911	1	5	7	COC[C@@H](NC(=O)CCc1cnn(C)c1)C1CCOCC1
365622150	ZINC000617373268	ref	-0.89	-21.28	0	295.339	0.285	3	4	6	COC[C@@H](NC(=O)c1c[nH]c(C(N)=O)c1)C1CCOCC1
365622159	ZINC000617371882	ref	2.09	-7.16	0	259.346	0.827	1	4	7	COC[C@@H](C)C(=O)N[C@@H](COC)C1CCOCC1
365622169	ZINC000617371390	ref	-0.78	-9.01	0	254.286	0.846	1	5	5	COC[C@H](NC(=O)c1cocn1)C1CCOCC1
365622179	ZINC000617373309	ref	3.88	-11.18	0	295.383	0.911	1	5	7	COC[C@H](NC(=O)CCc1cnn(C)c1)C1CCOCC1
342598076	ZINC000590810227	ref	4.13	-42.87	1	283.416	1.136	2	2	5	CC(=O)N[C@@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C(C)C
342598077	ZINC000590810309	ref	6.63	-84.12	2	255.406	1.316	2	1	5	CC(C)[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1
342598078	ZINC000590810309	mid	6.62	-84.31	2	255.406	1.316	2	1	5	CC(C)[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1
342598079	ZINC000590810309	high	4.2	-39.16	1	255.406	1.316	1	2	5	CC(C)[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1
342598080	ZINC000590824417	ref	3.14	-20.62	0	282.25	1.713	1	4	4	N#CC1CN(C(=O)Nc2cccnc2OCC(F)F)C1
342598081	ZINC000590810225	ref	4.15	-42.42	1	283.416	1.136	2	2	5	CC(=O)N[C@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)C(C)C
342598082	ZINC000364848450	ref	3.37	-48.91	1	252.358	1.587	2	3	5	CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@H]21
365622192	ZINC000617371623	ref	3.21	-10.86	0	257.33	0.747	1	4	8	C=CCOCC(=O)N[C@@H](COC)C1CCOCC1
342598083	ZINC000590824834	ref	6.43	-41.38	1	289.383	1.877	2	3	2	Cc1ncc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1
342598084	ZINC000590813346	ref	5.02	-45.78	1	297.443	1.526	2	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1
342598085	ZINC000590809563	ref	5.26	-12.88	0	290.367	1.152	2	2	4	CC(C)CN1C[C@@H](C(=O)N=c2cc(C3CC3)[nH][nH]2)CC1=O
342598086	ZINC000364848580	ref	3.51	-9.91	0	273.398	1.685	1	3	6	C=CCCS(=O)(=O)N[C@@H]1[C@@H](C)[C@@H](OC)C12CCC2
342598087	ZINC000590810358	ref	5.04	-43.6	1	264.373	1.331	1	3	3	Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n(C)n1
365622203	ZINC000617373182	ref	1.52	-9.03	0	286.372	0.461	2	4	8	CCCC(=O)NCC(=O)N[C@H](COC)C1CCOCC1
365622120	ZINC000576568457	ref	4.45	-9.3	0	205.273	1.523	1	2	7	CO[C@@H](CC(C)C)C(=O)NCCCF
342082383	ZINC000625331191	mid	8.68	-43.4	1	267.369	1.481	1	3	7	CCO[C@@H](C[N@H+]1CCO[C@@H](C(=O)C2CC2)C1)C1CC1
342082384	ZINC000625332042	ref	7.13	-42.17	1	264.373	1.249	1	4	6	Cn1cc(CC[N@@H+]2CCC[C@H](OCC3CC3)C2)nn1
342082385	ZINC000625332042	mid	7.34	-38.75	1	264.373	1.249	1	4	6	Cn1cc(CC[N@H+]2CCC[C@H](OCC3CC3)C2)nn1
342082386	ZINC000625332042	high	4.73	-10.87	0	264.373	1.249	0	5	6	Cn1cc(CCN2CCC[C@H](OCC3CC3)C2)nn1
342088482	ZINC000121502762	ref	6.0	-49.93	1	276.384	1.497	1	3	2	Cc1cnn([C@@H]2CCCN(C(=O)[C@]3(C)CCC[NH2+]3)C2)c1
342088483	ZINC000621363520	ref	1.88	-44.7	1	280.368	1.357	2	4	7	CCOc1cncc(C[NH2+][C@@H](CO)[C@@H]2CCCOC2)c1
342088484	ZINC000621363520	high	0.87	-7.44	0	280.368	1.357	2	5	7	CCOc1cncc(CN[C@@H](CO)[C@@H]2CCCOC2)c1
342088485	ZINC000121503193	ref	5.38	-35.43	1	276.384	1.497	1	3	2	Cc1cnn([C@H]2CCCN(C(=O)[C@@]3(C)CCC[NH2+]3)C2)c1
342088486	ZINC000621363646	ref	5.21	-37.05	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1CO
342088487	ZINC000621363646	mid	5.45	-38.54	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@@H]1CO
365622137	ZINC000175905862	ref	4.46	-11.03	0	208.261	0.783	0	3	2	C[C@H](C(=O)N1CCOC[C@H]1C#N)C1CC1
342088488	ZINC000621363646	high	2.83	-6.31	0	277.364	1.777	1	4	3	C[C@@H]1CCN(C[C@@H]2COc3ccccc3O2)C[C@@H]1CO
342088489	ZINC000121466020	ref	7.72	-20.85	0	279.384	1.864	1	4	9	CC(=O)[C@H](C)CCCCC(=O)NCCc1cncn1C
365622145	ZINC000576541512	ref	1.73	-9.99	0	227.304	0.975	2	3	4	CCO[C@H]1C[C@@H]1NC(=O)C1(O)CCCCC1
185089927	ZINC000096077977	low	7.74	-106.77	2	291.395	1.408	2	2	4	CN(C)C(=O)C[N@@H+]1CCC12CC[NH+](Cc1ccco1)CC2
185089928	ZINC000096077977	low	7.75	-108.87	2	291.395	1.408	2	2	4	CN(C)C(=O)C[N@H+]1CCC12CC[NH+](Cc1ccco1)CC2
185089930	ZINC000096077977	high	2.3	-10.25	0	291.395	1.408	0	4	4	CN(C)C(=O)CN1CCC12CCN(Cc1ccco1)CC2
342088490	ZINC000121466020	low	8.23	-44.7	1	279.384	1.864	1	3	9	CC(=O)[C@H](C)CCCCC(=O)NCCc1c[nH+]cn1C
342088491	ZINC000121478908	ref	4.27	-8.06	0	284.262	1.871	1	3	5	C=CCN(C)C(=O)C(=O)Nc1ccccc1OC(F)F
365622155	ZINC000576535673	ref	4.71	-20.73	0	248.242	-0.837	0	7	3	Cn1cc(C(=O)Cn2c(=O)ccn(C)c2=O)cn1
133427864	ZINC000306451536	ref	3.95	-15.86	0	164.212	1.218	0	4	3	CC(C)(C#N)CCn1ccnn1
365622162	ZINC000576537132	ref	5.22	-9.38	0	238.306	2.663	1	2	6	CC[C@H](C)CCC(=O)NCc1ncccc1F
342598088	ZINC000616988929	ref	4.47	-38.51	1	276.384	1.635	2	3	3	Cc1cnc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
214189744	ZINC000293648691	ref	7.84	-46.64	1	355.442	0.879	2	4	2	C[C@H]1NC(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)=NN(c2ccccc2)C1=O
342598089	ZINC000616988929	mid	4.41	-38.16	1	276.384	1.635	2	3	3	Cc1cnc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
342598090	ZINC000590810226	ref	4.35	-42.43	1	283.416	1.136	2	2	5	CC(=O)N[C@@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C(C)C
342598091	ZINC000590809758	ref	3.73	-14.26	0	263.219	1.226	2	2	4	O=C(COCC(F)(F)F)N=c1cc(C2CC2)[nH][nH]1
342598092	ZINC000590824398	ref	4.28	-23.9	0	255.281	1.859	2	3	1	Cc1cc(NC(=O)N2CC(C#N)C2)cc2n[nH]cc12
282123675	ZINC000413697894	ref	2.42	-6.95	0	300.443	2.288	3	3	9	CCC(CC)(CO)CNC(=O)N[C@H](C)[C@](C)(OC)C1CC1
197596577	ZINC000162859748	ref	5.92	-7.38	0	302.418	2.774	3	2	6	C[C@@](O)(CNC(=O)NCC1(C2CC2)CCC1)c1ccccc1
342598093	ZINC000590824430	ref	4.03	-16.59	0	281.113	1.253	1	3	1	N#CC1CN(C(=O)Nc2ccncc2Br)C1
342598094	ZINC000590809572	ref	5.06	-14.43	0	290.367	1.294	2	2	2	CC(C)(C)N1C[C@@H](C(=O)N=c2cc(C3CC3)[nH][nH]2)CC1=O
342598095	ZINC000364848584	ref	3.38	-9.56	0	273.398	1.685	1	3	6	C=CCCS(=O)(=O)N[C@@H]1[C@@H](C)[C@H](OC)C12CCC2
342598096	ZINC000590809945	ref	6.13	-39.65	1	290.411	1.891	2	2	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1
342598097	ZINC000364848445	ref	3.19	-49.57	1	252.358	1.587	2	3	5	CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2O[C@H](CC#N)C[C@@H]21
219048526	ZINC000097696124	high	8.69	-6.09	0	339.483	3.465	0	4	8	COCCc1ncc(CN(C)C[C@@]2(c3ccccc3)CC2(C)C)cn1
214189747	ZINC000293648691	mid	7.85	-46.74	1	355.442	0.879	2	4	2	C[C@H]1NC(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)=NN(c2ccccc2)C1=O
214189748	ZINC000293639216	ref	1.65	-21.99	0	361.442	0.969	4	4	7	CC[C@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc1
214189751	ZINC000293642872	ref	4.72	-11.67	0	357.462	0.942	1	7	6	CCn1nc(C)c(C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)n1
219048527	ZINC000097696157	ref	6.64	-21.16	0	339.395	1.051	1	4	4	CCn1ccc(C(=O)N2CCNC(=O)[C@H]2Cc2ccccc2)cc1=O
365622131	ZINC000274317813	mid	4.15	-9.75	0	263.345	1.282	1	4	3	CC(C)CN1CCN(C(=O)Nc2cncnc2)CC1
349535710	ZINC000093291955	ref	3.65	-13.27	0	269.349	0.821	2	5	9	CCCCOCCCNC(=O)NCc1ncn(C)n1
342598098	ZINC000590824872	ref	4.21	-11.33	0	264.329	1.675	1	4	4	CCN(C[C@H]1CCOC1)C(=O)Nc1cnc(C)nc1
365622136	ZINC000274317467	ref	2.39	-12.39	0	272.308	1.915	3	4	4	COc1cc2c(cc1NCc1ncc[nH]1)NC(=O)CC2
365622152	ZINC000274317467	low	3.21	-39.17	1	272.308	1.915	3	3	4	COc1cc2c(cc1NCc1[nH]cc[nH+]1)NC(=O)CC2
365622158	ZINC000274315792	ref	4.97	-6.23	0	281.352	1.46	1	5	8	COC[C@H](CN[C@@H](C(=O)OC)c1ccccc1C)OC
178291781	ZINC000236988110	ref	4.09	-53.71	1	367.515	1.883	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1
178291785	ZINC000236993042	ref	6.24	-93.04	2	374.529	1.844	3	2	8	CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1)C(C)C
178291788	ZINC000236993042	mid	5.85	-92.65	2	374.529	1.844	3	2	8	CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1)C(C)C
178291791	ZINC000236991894	ref	5.92	-51.04	1	361.49	1.979	2	5	5	CCO[C@H]1C[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C12CCCC2
178291795	ZINC000236991054	ref	4.1	-56.54	1	373.544	1.437	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)C2CC[NH2+]CC2)s1
178291801	ZINC000236992686	ref	3.35	-52.61	1	359.517	1.047	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC[NH2+]C2)s1
178291807	ZINC000236995396	ref	5.22	-60.58	-1	357.204	1.548	2	4	7	CC[C@H](NC(=O)CCNC(=O)c1ccc(Br)cc1)C(=O)[O-]
178291810	ZINC000236995243	ref	4.86	-52.97	1	367.515	1.693	2	3	7	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1
178291815	ZINC000237001270	ref	4.3	-55.92	1	371.478	1.342	2	3	8	CC[NH2+]CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2F)CC1
365622171	ZINC000274317489	ref	2.14	-4.79	0	279.359	1.375	1	3	4	Fc1cncc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1
365622178	ZINC000274317489	mid	4.84	-45.79	1	279.359	1.375	1	3	4	Fc1cncc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)c1
365622185	ZINC000274317489	mid	4.48	-41.03	1	279.359	1.375	1	3	4	Fc1cncc(CN2CC[C@@H](C[NH+]3CCOCC3)C2)c1
365622193	ZINC000274317489	high	2.14	-4.79	0	279.359	1.375	0	4	4	Fc1cncc(CN2CC[C@@H](CN3CCOCC3)C2)c1
365622202	ZINC000274318434	ref	0.12	-11.0	0	295.335	1.013	2	5	4	COc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c(O)c1
365622210	ZINC000274318434	high	1.07	-58.19	-1	295.335	1.013	1	5	4	COc1ccc(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c([O-])c1
365622216	ZINC000274317487	ref	2.62	-4.83	0	279.359	1.375	1	3	4	Fc1cncc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1
365622220	ZINC000274317487	mid	5.08	-45.62	1	279.359	1.375	1	3	4	Fc1cncc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)c1
199273157	ZINC000181264879	ref	2.48	-42.74	1	313.423	1.243	2	4	9	CCOc1ccc(S(=O)(=O)NCC[N@H+](CC)C2CC2)cn1
398246279	ZINC000651452749	ref	8.81	-9.17	0	276.355	3.3	1	1	3	CN(Cc1ccc(F)cc1)C(=O)NC1CC2(CCC2)C1
343994354	ZINC000599272845	ref	3.23	-7.98	0	279.34	1.263	0	6	3	COC(=O)c1cnc(CN2C[C@@H](C)OC(C)(C)C2)cn1
365622149	ZINC000336542134	low	6.1	-117.71	2	278.787	2.007	2	2	3	Cn1c(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc2cc(Cl)ccc21
303960079	ZINC000412061043	ref	8.03	-21.96	0	347.39	1.96	1	5	5	COC(=O)[C@@H]1CC[C@H](C(=O)NCCc2nc3ccc(F)cc3n2C)C1
365622153	ZINC000336542134	low	6.1	-117.71	2	278.787	2.007	2	2	3	Cn1c(C[N@H+]2CC[C@@H](C[NH3+])C2)nc2cc(Cl)ccc21
365622161	ZINC000336541952	ref	5.92	-10.9	0	278.352	2.0	1	3	3	O=C(CN1C(=O)NC2(CCC2)C1=O)C1CCCCCC1
365622168	ZINC000336542075	ref	4.96	-14.14	0	273.348	2.308	0	2	2	C[C@H]1CC[S@@](=O)CCN1Cc1ccc(F)cc1F
365622176	ZINC000336541873	ref	9.62	-94.47	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1
199273159	ZINC000181264879	mid	2.49	-42.51	1	313.423	1.243	2	4	9	CCOc1ccc(S(=O)(=O)NCC[N@@H+](CC)C2CC2)cn1
342598099	ZINC000194625723	ref	3.56	-44.88	-1	299.739	1.904	1	5	6	O=C(COc1ccc(Cl)cc1)CSc1n[nH]c(=O)[n-]1
342598100	ZINC000194625723	low	4.76	-14.99	0	299.739	1.904	2	5	6	O=C(COc1ccc(Cl)cc1)CSc1n[nH]c(=O)[nH]1
342598101	ZINC000590824436	ref	4.32	-7.77	0	281.287	1.106	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccncc1F
342598102	ZINC000590809745	ref	4.35	-13.19	0	273.34	1.62	3	2	4	Cc1n[nH]c(C)c1CCC(=O)N=c1cc(C2CC2)[nH][nH]1
282120182	ZINC000248951633	ref	3.94	-13.23	0	324.377	1.835	1	6	7	CC[C@]1(C)CN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1
365622183	ZINC000336541873	mid	9.57	-95.7	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1
365622187	ZINC000336541873	mid	9.56	-95.42	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1
365622194	ZINC000336541873	mid	9.57	-95.7	2	273.424	2.28	2	1	3	CN(C)c1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1
199273160	ZINC000181264879	mid	0.4	-8.45	0	313.423	1.243	1	5	9	CCOc1ccc(S(=O)(=O)NCCN(CC)C2CC2)cn1
398249530	ZINC000381273171	high	2.34	-41.2	1	228.38	1.907	2	2	6	CC[C@H](C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)OC
342598103	ZINC000354472481	ref	5.02	-19.55	0	280.287	1.326	1	5	4	CNC(=O)c1cccc(C(=O)[C@@H](C#N)c2ccncn2)c1
342598104	ZINC000354472481	high	4.45	-46.52	-1	280.287	1.326	1	5	3	CNC(=O)c1cccc(C([O-])=C(C#N)c2ccncn2)c1
365622165	ZINC000354679481	ref	4.42	-8.71	0	277.386	1.438	1	4	8	CCCC[C@H](NS(=O)(=O)CC1CCC1)C(=O)OC
365622173	ZINC000354679481	high	4.2	-42.79	-1	277.386	1.438	0	4	8	CCCC[C@H]([N-]S(=O)(=O)CC1CCC1)C(=O)OC
365622181	ZINC000354680146	ref	3.0	-17.81	0	294.42	1.144	1	3	5	C[C@H](C(=O)N[C@H]1CC[S@@](=O)C1)N(C)Cc1ccccc1
365622190	ZINC000354680146	mid	5.24	-44.39	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@H]1CC[S@@](=O)C1)[N@H+](C)Cc1ccccc1
365622198	ZINC000354680146	mid	5.23	-45.82	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@H]1CC[S@@](=O)C1)[N@@H+](C)Cc1ccccc1
365622206	ZINC000354680713	ref	1.17	-10.84	0	297.321	1.349	2	3	6	CC[C@@H](CC(F)(F)F)NC(=O)NCCN1CCOCC1
365622217	ZINC000354680713	low	3.6	-43.72	1	297.321	1.349	3	2	6	CC[C@@H](CC(F)(F)F)NC(=O)NCC[NH+]1CCOCC1
365622224	ZINC000354680615	ref	5.64	-8.56	0	254.293	1.676	0	4	4	O=C(c1cncnc1)N(Cc1cccnc1)C1CC1
365622233	ZINC000354679532	ref	7.45	-13.99	0	280.393	1.952	0	4	4	CC1(C)CN(C(=O)COCc2cccnc2)CCS1
365622242	ZINC000354681223	ref	5.46	-8.1	0	278.352	1.529	1	4	5	COC1CCC(CNC(=O)C(=O)c2cccn2C)CC1
365622253	ZINC000354681394	ref	2.02	-7.67	0	270.373	1.406	3	3	6	COCC[C@@H](CO)NC(=O)N[C@@H]1CCC12CCCC2
365622261	ZINC000354681334	ref	7.66	-48.07	1	276.384	1.358	1	3	4	C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCCn1cccn1
365622268	ZINC000354681334	mid	7.43	-48.56	1	276.384	1.358	1	3	4	C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CCCn1cccn1
365622272	ZINC000354681381	ref	7.29	-18.36	0	289.397	1.357	1	5	7	CCS[C@@H]1CCCC[C@@H]1NC(=O)COCC(=O)OC
365622284	ZINC000354680374	ref	2.67	-13.69	0	286.319	1.618	2	3	6	O=C(NCCSCC(F)(F)F)NC[C@@H]1CCOC1
365622289	ZINC000354681070	ref	5.11	-9.36	0	290.363	1.682	1	3	4	COc1ccc(C(=O)NCC(=O)N2C[C@@H](C)C[C@@H]2C)cc1
365622300	ZINC000354680757	ref	4.52	-35.94	1	283.416	1.139	3	2	7	CC(C)CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1
365622308	ZINC000354680757	high	2.5	-4.55	0	283.416	1.139	2	3	7	CC(C)CCCNC(=O)C(=O)NCC1(N(C)C)CCC1
365622314	ZINC000354681375	ref	6.9	-19.02	0	289.397	1.357	1	5	7	CCS[C@@H]1CCCC[C@H]1NC(=O)COCC(=O)OC
365622321	ZINC000354679196	ref	5.86	-43.01	1	288.391	1.363	3	2	5	C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1
398246283	ZINC000529459555	ref	7.53	-9.34	0	249.354	3.341	0	2	3	Cc1cocc1C(=O)N1C[C@H](C(C)C)[C@H]1C(C)C
365622328	ZINC000354679196	mid	5.77	-43.53	1	288.391	1.363	3	2	5	C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1
365622332	ZINC000354679196	high	3.24	-10.8	0	288.391	1.363	2	3	5	CN1CC[C@](O)(CNC(=O)C[C@@H]2C[C@H]2c2ccccc2)C1
349535718	ZINC000093298277	ref	4.38	-35.21	1	268.357	0.786	2	3	3	COC(=O)C(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1
219048528	ZINC000350686874	ref	6.99	-6.38	0	257.337	2.352	1	4	6	CN(CCCCO)c1ncncc1-c1ccccc1
349535723	ZINC000093298277	mid	4.84	-37.79	1	268.357	0.786	2	3	3	COC(=O)C(C)(C)[C@@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1
342082387	ZINC000625329563	ref	4.99	-36.24	1	262.401	1.97	2	3	6	CCN(Cc1cccnc1N)C[C@@H]1CCC[N@@H+]1CC
190492017	ZINC000269400631	ref	4.04	-7.38	0	278.396	2.732	2	3	5	CC(C)c1ccc(C(=O)NC[C@@H](O)CC(C)(C)C)cn1
342082388	ZINC000625329563	mid	6.06	-31.91	1	262.401	1.97	2	3	6	CCN(Cc1cccnc1N)C[C@@H]1CCC[N@H+]1CC
349535727	ZINC000093298277	mid	2.27	-8.37	0	268.357	0.786	1	4	3	COC(=O)C(C)(C)[C@@H]1CCCN([C@@H]2CCNC2=O)C1
349535731	ZINC000093299086	ref	1.71	-8.3	0	295.339	0.713	2	5	2	CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@H](O)C1
219048531	ZINC000350682312	ref	4.16	-14.83	0	295.223	2.311	1	2	8	C[C@@H](C(=O)NCCOCC(F)(F)C(F)F)C(C)(F)F
349535736	ZINC000093300172	ref	2.48	-7.55	0	294.355	0.632	2	5	2	CC(C)n1nccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](O)C1
349535740	ZINC000093301292	ref	1.41	-7.57	0	267.285	0.151	2	5	1	Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)no1
190492023	ZINC000269405684	ref	2.22	-8.71	0	292.379	1.722	2	4	5	CC(C)c1ccc(C(=O)NC[C@H](O)C2CCOCC2)cn1
219048535	ZINC000350696408	ref	7.69	-9.86	0	298.39	3.491	2	3	3	Cc1ccnn1-c1ccccc1NC(=O)N[C@@H]1CCC1(C)C
349535745	ZINC000093289729	ref	2.33	-39.05	1	254.355	0.472	2	3	4	CN(CCc1cccs1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1
349535751	ZINC000093300314	ref	1.62	-8.03	0	292.335	0.863	2	4	2	COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)cc1
349535756	ZINC000093289732	ref	2.38	-42.85	1	254.355	0.472	2	3	4	CN(CCc1cccs1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1
343994355	ZINC000129384384	high	4.93	-6.83	0	238.375	2.293	1	2	4	CC[C@@H](N)C(=O)N(C1CCC(C)CC1)C1CC1
214189753	ZINC000337635873	ref	6.08	-8.09	0	278.327	2.377	2	2	2	Cc1cccc(F)c1NC(=O)C(=O)N[C@H]1CCC[C@H]1C
398249531	ZINC000100413415	ref	6.53	-36.65	1	226.408	3.031	1	1	8	CCCCCCCCCN1CC[NH2+]C[C@H]1C
349535763	ZINC000093292491	ref	3.2	-50.94	1	284.404	0.683	4	2	6	CC(C)NC(=O)CCNC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1
214189759	ZINC000337632808	ref	6.64	-39.69	1	299.484	2.303	3	2	5	CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCCS2)C1
214189762	ZINC000337632808	mid	7.11	-39.19	1	299.484	2.303	3	2	5	CC[N@H+]1CCC[C@@H](CNC(=O)NC[C@]2(C)CCCS2)C1
214189765	ZINC000337636175	ref	8.19	-9.48	0	276.355	3.002	1	1	2	Cc1cc(F)cc2c1CN(C(=O)NCC1CCC1)CC2
219048530	ZINC000097694968	ref	8.87	-41.48	1	332.831	3.575	2	2	6	O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(Cl)o1
178291789	ZINC000180417165	ref	4.34	-6.34	0	237.299	2.561	1	4	5	Cc1cc2c(cc1NCCOC(C)C)OCO2
398246284	ZINC000651452662	ref	8.04	-9.66	0	288.391	3.169	1	2	4	COc1ccc(CN(C)C(=O)NC2CC3(CCC3)C2)cc1
219048532	ZINC000097694968	mid	8.94	-41.98	1	332.831	3.575	2	2	6	O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(Cl)o1
342598105	ZINC000354472481	high	5.02	-19.55	0	280.287	1.326	1	5	4	CNC(=O)c1cccc(C(=O)C(C#N)c2ccncn2)c1
342598106	ZINC000590824896	ref	5.75	-15.58	0	265.357	1.747	1	3	4	CO[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)C1CC1
342598107	ZINC000590824717	ref	5.63	-10.61	0	280.328	1.366	2	5	4	CCn1nccc1NC(=O)N[C@H]1CCC[C@H]1C(=O)OC
342598108	ZINC000590824821	ref	4.25	-12.31	0	255.293	1.059	1	3	4	CO[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)C1CC1
219048534	ZINC000097696135	ref	3.88	-14.12	0	344.411	2.093	1	5	7	COc1ccccc1CCNC(=O)c1coc(CN2CCOCC2)c1
214189754	ZINC000293642872	low	7.1	-46.62	1	357.462	0.942	2	6	6	CCn1nc(C)c(C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1
214189756	ZINC000293649033	ref	5.55	-16.32	0	359.386	0.71	2	7	4	COc1cc2c(cc1CNC(=O)C(=O)Nc1nc(C)n(C)n1)O[C@H](C)C2
342598109	ZINC000590823920	ref	3.2	-21.04	0	286.372	1.971	2	2	6	C[C@@H](F)CCNC(=O)NCc1ccc([S@](C)=O)cc1
197596597	ZINC000290107441	ref	4.39	-9.5	0	297.424	1.757	1	4	6	CN(C)c1cccnc1CNS(=O)(=O)CC1CCCC1
201705217	ZINC000225416270	ref	2.33	-19.19	0	309.391	0.848	1	5	4	Cc1nc(CO[C@H]2CCN(C(=O)[C@H]3CCC(=O)N3)C2)cs1
306234501	ZINC000557847177	ref	6.53	-49.97	-1	341.429	1.919	0	5	6	COC[C@@H](C)N(C)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2
219048539	ZINC000097694830	ref	2.41	-50.11	1	347.463	0.274	2	5	3	CC(=O)N1CCC([N@@H+]2CCN(Cc3nccnc3C)C[C@@H](O)C2)CC1
219048542	ZINC000097694830	mid	2.33	-48.08	1	347.463	0.274	2	5	3	CC(=O)N1CCC([N@H+]2CCN(Cc3nccnc3C)C[C@@H](O)C2)CC1
219048545	ZINC000097694830	high	-0.53	-13.29	0	347.463	0.274	1	6	3	CC(=O)N1CCC(N2CCN(Cc3nccnc3C)C[C@@H](O)C2)CC1
365622167	ZINC000576539742	ref	5.87	-11.0	0	240.262	2.466	1	3	3	N#CC1(CNC(=O)c2cc3ccccc3o2)CC1
342598110	ZINC000590824752	ref	2.01	-10.77	0	252.318	1.722	2	4	4	Cc1ncc(NC(=O)NCCOC(C)(C)C)cn1
342598111	ZINC000590824819	ref	4.4	-11.58	0	255.293	1.059	1	3	4	CO[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)C1CC1
365622180	ZINC000576538294	ref	8.03	-37.66	1	224.348	1.753	1	1	6	CN(CCC[NH+](C)C)C(=O)C[C@@H]1C=CCC1
365622189	ZINC000343706742	ref	4.1	-49.66	1	214.334	1.09	2	3	5	N#CCCCC[N@H+]1CCSC[C@H]1CO
365622197	ZINC000343706742	mid	4.38	-45.52	1	214.334	1.09	2	3	5	N#CCCCC[N@@H+]1CCSC[C@H]1CO
365622200	ZINC000343706742	high	2.03	-10.14	0	214.334	1.09	1	4	5	N#CCCCCN1CCSC[C@H]1CO
342082389	ZINC000625329769	ref	2.71	-54.06	-1	289.401	1.212	1	5	8	CCC[C@@H](CNS(=O)(=O)c1cn(C)c(C)n1)OCC
342082390	ZINC000625329769	high	2.71	-54.06	-1	289.401	1.212	0	5	8	CCC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(C)n1)OCC
342082391	ZINC000625329755	ref	2.3	-12.63	0	281.418	1.393	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@@H](C)COC)OCC
365622207	ZINC000576540712	ref	-0.59	-10.24	0	225.248	0.416	3	4	4	C[C@@H](NC(=O)N[C@@H]1C[C@H]1CO)c1ccon1
342082392	ZINC000625333292	ref	5.3	-18.42	0	292.383	1.344	1	4	6	CCn1cc(C(=O)NCCCN2CCCCC2=O)c(C)n1
342082393	ZINC000625332319	ref	4.91	-52.31	1	288.457	1.682	1	2	4	C[C@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC1CC(C)(C)C1
342082394	ZINC000625329636	ref	3.65	-28.22	1	284.444	1.459	3	3	8	CCN(C[C@@H](O)CC1(O)CCC1)C[C@H]1CCC[N@@H+]1CC
365622214	ZINC000576534357	ref	4.76	-35.51	1	243.391	2.187	2	2	7	CC(C)CO[C@H]1C[C@H]([NH2+]CC[C@H](C)O)C1(C)C
365622223	ZINC000576539259	ref	6.07	-8.5	0	232.291	1.288	0	6	3	CCN(c1nccn2nnnc12)C1CCCC1
365622230	ZINC000576536716	ref	2.68	-9.53	0	245.286	0.583	1	5	3	N#Cc1cc(N2CCCC[C@@H]2CC(N)=O)ncn1
365622237	ZINC000343700780	ref	5.67	-37.04	1	227.304	0.642	2	3	4	COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](C2CC2)C1
365622241	ZINC000343700780	mid	5.94	-33.3	1	227.304	0.642	2	3	4	COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](C2CC2)C1
365622250	ZINC000175909358	ref	7.21	-12.58	0	216.288	1.868	0	4	5	CCn1nnnc1CCCc1ccccc1
365622259	ZINC000175905879	ref	4.44	-10.59	0	208.261	0.783	0	3	2	C[C@@H](C(=O)N1CCOC[C@H]1C#N)C1CC1
365622265	ZINC000576540319	ref	7.66	-7.17	0	242.326	2.085	1	4	4	CCc1cnccc1CNc1nc(C)cc(C)n1
365622271	ZINC000343700779	ref	5.91	-32.93	1	227.304	0.642	2	3	4	COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H](C2CC2)C1
349535729	ZINC000258984050	mid	6.83	-50.46	1	226.732	2.795	1	2	4	N#CC1(C[NH2+]Cc2ccc(Cl)s2)CC1
365622277	ZINC000343700779	mid	5.73	-37.05	1	227.304	0.642	2	3	4	COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H](C2CC2)C1
365622283	ZINC000576538346	ref	5.63	-9.07	0	246.314	1.343	1	3	1	C[C@@H]1CC[C@H]1NC(=O)N1CCc2cncnc2C1
365622290	ZINC000576534454	ref	-1.02	-11.24	0	234.255	0.023	3	3	3	NC(=O)CNC(=O)[C@@H]1CCc2cccc(O)c21
365622294	ZINC000576538177	ref	5.09	-7.86	0	235.331	1.906	1	4	4	COC1CCC(C)(CNc2cccnn2)CC1
214189758	ZINC000293649022	ref	6.51	-21.59	0	374.393	0.925	2	6	9	COC(=O)[C@@H](CNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)OC
214189761	ZINC000293649050	ref	6.1	-16.67	0	361.402	0.963	2	7	6	COc1ccc([C@H](OC)[C@H](C)NC(=O)C(=O)Nc2nc(C)n(C)n2)cc1
214189763	ZINC000293649152	ref	3.63	-10.96	0	364.333	0.609	2	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NCc1cc(F)ccc1OC
214189766	ZINC000293646180	ref	0.6	-14.82	0	353.35	0.375	2	5	4	COc1cc(NC(=O)C(=O)N2C[C@H](F)C[C@H]2C(N)=O)cc(OC)c1C
214189769	ZINC000293644645	ref	1.83	-20.49	0	353.444	0.21	1	4	6	CN(C(=O)CCc1ccccc1C(N)=O)[C@@H]1CCN(S(C)(=O)=O)C1
214189772	ZINC000293649031	ref	6.14	-40.81	1	365.434	0.382	3	6	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C
398246288	ZINC000651452410	ref	8.58	-13.06	0	287.407	3.204	1	2	2	Cn1cccc1[C@@H]1CCCN1C(=O)NC1CC2(CCC2)C1
398246293	ZINC000651447776	ref	8.7	-5.08	0	256.324	3.387	0	2	1	C[C@H]1CN(c2ccc(F)cn2)CCc2ccccc21
398246294	ZINC000651447940	ref	8.98	-5.0	0	273.405	3.267	0	4	2	CCc1nsc(N2CCc3ccccc3[C@H](C)C2)n1
214189774	ZINC000293649031	mid	6.0	-41.95	1	365.434	0.382	3	6	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H]1CCC[N@H+]1CC(C)C
214189776	ZINC000293649031	high	3.37	-9.63	0	365.434	0.382	2	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H]1CCCN1CC(C)C
214189777	ZINC000293636887	ref	5.47	-21.91	0	363.439	0.946	0	5	5	CN(C(=O)Cn1cc(C=O)c2ccccc21)[C@@H]1CCN(S(C)(=O)=O)C1
214189778	ZINC000293641021	ref	2.9	-27.12	0	356.477	0.714	0	6	3	Cc1c(S(=O)(=O)N2CCC(C3N=NC(=S)N3C)CC2)cnn1C
214189779	ZINC000293639654	ref	5.29	-16.02	0	373.409	0.911	1	5	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1
214189782	ZINC000293644671	ref	4.1	-18.2	0	373.435	0.291	0	7	6	Cc1nn(CCC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-]
398246298	ZINC000651448167	ref	10.14	-9.11	0	278.359	3.124	1	3	1	C[C@@H]1CN(c2ncnc3[nH]ccc23)CCc2ccccc21
398249532	ZINC000390796977	mid	2.82	-43.09	-1	238.312	1.411	1	4	2	C[C@H]1SCC[C@H]1NC(=O)c1cncc([O-])c1
178291808	ZINC000180424283	ref	5.71	-9.63	0	245.282	2.069	1	5	3	Cc1cc2c(cc1NCc1cncn1C)OCO2
214189784	ZINC000293636318	ref	0.54	-16.32	0	368.455	0.837	3	5	5	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O
178291812	ZINC000180424283	low	6.22	-39.78	1	245.282	2.069	1	4	3	Cc1cc2c(cc1NCc1c[nH+]cn1C)OCO2
197596598	ZINC000162851960	ref	5.25	-15.72	0	318.417	2.065	3	3	6	CCCNC(=O)C1(NC(=O)[C@@H](O)c2ccccc2)CCCCC1
197596610	ZINC000162862157	ref	2.25	-27.73	0	314.345	2.002	2	4	3	Cc1ccc(NC(=O)N[C@@H]2CCN(C)C2=O)cc1-c1ncco1
342082395	ZINC000625329636	mid	2.71	-32.24	1	284.444	1.459	3	3	8	CCN(C[C@@H](O)CC1(O)CCC1)C[C@H]1CCC[N@H+]1CC
219048537	ZINC000350694749	ref	3.98	-13.99	0	277.368	2.31	3	3	4	Cc1ccnc(NC(=O)NC[C@H]2CCC[C@@H](CO)C2)c1
219048540	ZINC000350684623	ref	5.89	-9.85	0	290.388	3.413	1	4	5	CCc1cccc(C)c1NC(=O)c1cnc(COC)s1
219048543	ZINC000350690059	ref	10.14	-16.51	0	297.402	3.379	0	3	3	CC(C)[C@H]1N(C(=O)c2ccccc2-n2cccn2)CC1(C)C
214189768	ZINC000337635375	ref	5.83	-19.69	0	272.352	3.237	2	3	6	CCCC[C@@H](C)C(=O)Nc1cccc(-c2c[nH]nn2)c1
219048547	ZINC000350685341	ref	0.71	-16.56	0	298.298	3.103	2	5	3	COc1ccc(O)c(NC(=O)c2ccc3oc(C)nc3c2)c1
214189771	ZINC000337635375	mid	5.78	-13.99	0	272.352	3.237	2	3	6	CCCC[C@@H](C)C(=O)Nc1cccc(-c2cn[nH]n2)c1
214189775	ZINC000337636382	ref	3.67	-9.85	0	254.33	0.227	1	3	4	CC[C@@H](C)[C@H](O)C(=O)N1CCN(C2CC2)C(=O)C1
219048552	ZINC000350689749	ref	9.48	-13.63	0	297.402	3.379	0	3	3	CC(C)[C@@H]1N(C(=O)c2ccccc2-n2cccn2)CC1(C)C
214189781	ZINC000337633292	ref	6.43	-43.74	1	276.336	2.075	1	3	5	COc1ccc2occ(C(=O)N(C)CC[NH+](C)C)c2c1
214189785	ZINC000337633292	high	3.96	-16.12	0	276.336	2.075	0	4	5	COc1ccc2occ(C(=O)N(C)CCN(C)C)c2c1
342082396	ZINC000625329636	mid	2.24	-34.88	1	284.444	1.459	3	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H](O)CC1(O)CCC1
342082397	ZINC000625329636	mid	2.52	-34.8	1	284.444	1.459	3	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H](O)CC1(O)CCC1
342082398	ZINC000625332824	ref	2.71	-12.54	0	297.302	1.316	1	4	6	O=S(=O)(CC1CC1)NC[C@H](n1cccn1)C(F)(F)F
342082399	ZINC000625332824	high	2.42	-41.06	-1	297.302	1.316	0	4	6	O=S(=O)(CC1CC1)[N-]C[C@H](n1cccn1)C(F)(F)F
342082400	ZINC000625329714	ref	2.52	-9.6	0	289.401	1.386	1	5	9	CCC[C@@H](CNS(=O)(=O)c1ccnn1CC)OCC
342082401	ZINC000625329859	ref	3.7	-15.11	0	290.363	1.833	2	3	5	Cc1cccc(O)c1C(=O)NCCCN1CCCCC1=O
342082402	ZINC000625329859	high	4.47	-59.3	-1	290.363	1.833	1	3	5	Cc1cccc([O-])c1C(=O)NCCCN1CCCCC1=O
342082403	ZINC000617965113	ref	4.56	-7.58	0	254.24	1.556	0	5	3	N#Cc1cc(N2CCC[C@H](OC(F)F)C2)ncn1
342082404	ZINC000625329934	ref	5.85	-4.43	0	271.401	1.927	1	3	8	CCO[C@H](C[N@@H+]1CCO[C@H](COC(C)C)C1)C1CC1
365622199	ZINC000336541873	mid	6.91	-35.55	1	273.424	2.28	1	2	3	CN(C)c1ccccc1CN1CC[C@]2(CC[N@H+](C)C2)C1
282120184	ZINC000251780632	ref	6.47	-43.54	1	295.427	1.537	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@@H]23)C1
282120201	ZINC000251541310	ref	9.92	-87.42	2	330.476	2.025	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C1
365622205	ZINC000336541873	mid	6.91	-35.55	1	273.424	2.28	1	2	3	CN(C)c1ccccc1CN1CC[C@]2(CC[N@@H+](C)C2)C1
365622209	ZINC000336541873	mid	6.99	-32.6	1	273.424	2.28	1	2	3	CN1CC[C@]2(CC[N@@H+](Cc3ccccc3N(C)C)C2)C1
365622213	ZINC000336541873	mid	6.93	-32.44	1	273.424	2.28	1	2	3	CN1CC[C@]2(CC[N@H+](Cc3ccccc3N(C)C)C2)C1
365622221	ZINC000336541771	ref	6.75	-18.97	0	257.337	2.341	1	3	3	C[C@H]1CC[C@@H](NC(=O)Cn2cc3ccccc3n2)C1
365622227	ZINC000336542404	ref	5.14	-7.65	0	293.363	2.17	0	4	2	CCc1oc(C(=O)N2CCO[C@]3(CCO[C@@H]3C)C2)cc1C
365622234	ZINC000336542497	ref	5.71	-12.02	0	265.382	2.043	0	4	2	Cc1cnc(N2CCC[C@H](N3CCCC3=O)C2)s1
365622240	ZINC000336542224	ref	5.36	-12.63	0	285.746	2.395	1	2	3	CC[C@]1(O)CCN(C(=O)Cc2ccc(Cl)c(F)c2)C1
365622247	ZINC000336542344	ref	7.01	-52.47	1	262.397	2.169	1	1	1	O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC2(CCCCC2)C1
365622254	ZINC000336542159	ref	7.09	-11.1	0	283.73	2.411	0	2	2	O=C(Cc1ccc(Cl)c(F)c1)N1C[C@@H]2CC[C@H](C1)O2
342082405	ZINC000625329934	mid	6.95	-37.27	1	271.401	1.927	1	3	8	CCO[C@H](C[N@H+]1CCO[C@H](COC(C)C)C1)C1CC1
342082406	ZINC000625329934	mid	5.85	-4.43	0	271.401	1.927	0	4	8	CCO[C@H](CN1CCO[C@H](COC(C)C)C1)C1CC1
342082407	ZINC000625329754	ref	2.02	-13.33	0	281.418	1.393	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@@H](C)COC)OCC
365622262	ZINC000336542496	ref	5.71	-12.01	0	265.382	2.043	0	4	2	Cc1cnc(N2CCC[C@@H](N3CCCC3=O)C2)s1
299072375	ZINC000459275778	ref	7.76	-9.2	0	306.381	2.953	1	2	3	CC(C)[C@@H]1C[C@H]1NC(=O)N1CCO[C@H](c2ccc(F)cc2)C1
365622269	ZINC000336542376	ref	7.41	-34.21	1	250.386	2.166	1	1	3	CC(C)N(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CCCC1
342082408	ZINC000625329638	ref	4.92	-29.15	1	284.444	1.459	3	3	8	CCN(C[C@H](O)CC1(O)CCC1)C[C@H]1CCC[N@@H+]1CC
342082409	ZINC000625329638	mid	3.49	-33.62	1	284.444	1.459	3	3	8	CCN(C[C@H](O)CC1(O)CCC1)C[C@H]1CCC[N@H+]1CC
365622273	ZINC000336542366	ref	6.49	-15.47	0	281.396	2.411	0	3	3	CN(CC1CCOCC1)C(=O)[C@H]1CCCCCC(=O)C1
365622279	ZINC000336541968	ref	6.89	-13.85	0	283.306	2.464	0	3	2	Cc1cc(C(=O)N2CC=C(c3ccccc3F)C2)cnn1
342082410	ZINC000625329638	mid	3.72	-34.94	1	284.444	1.459	3	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H](O)CC1(O)CCC1
365622212	ZINC000617372429	ref	2.84	-12.97	0	289.372	0.597	1	5	10	CCOCCOCC(=O)N[C@@H](COC)C1CCOCC1
365622219	ZINC000617373637	ref	3.32	-10.41	0	259.346	0.969	1	4	7	CCO[C@@H](C)C(=O)N[C@H](COC)C1CCOCC1
342082411	ZINC000625329638	mid	3.25	-35.17	1	284.444	1.459	3	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H](O)CC1(O)CCC1
342082412	ZINC000625329931	ref	4.84	-4.55	0	271.401	1.927	1	3	8	CCO[C@@H](C[N@@H+]1CCO[C@@H](COC(C)C)C1)C1CC1
214189773	ZINC000053606706	ref	5.07	-9.16	0	344.444	2.52	0	8	4	CC(C)c1nc(CN2CCN(c3ncnc4sccc34)CC2)no1
136228545	ZINC000191583823	ref	1.52	-9.08	0	216.281	0.006	1	3	6	CCN(C)C(=O)[C@@H](C)NC(=O)CCOC
342082413	ZINC000625329931	mid	7.11	-37.1	1	271.401	1.927	1	3	8	CCO[C@@H](C[N@H+]1CCO[C@@H](COC(C)C)C1)C1CC1
342082414	ZINC000625329931	mid	4.84	-4.55	0	271.401	1.927	0	4	8	CCO[C@@H](CN1CCO[C@@H](COC(C)C)C1)C1CC1
342082415	ZINC000625329756	ref	2.03	-13.43	0	281.418	1.393	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@H](C)COC)OCC
342082416	ZINC000625332857	ref	4.58	-34.24	1	256.39	1.208	1	3	6	CCN(C[C@H]1COCCO1)C[C@H]1CCC[N@@H+]1CC
365622231	ZINC000617371606	ref	3.84	-13.71	0	298.383	0.413	1	4	7	COC[C@@H](NC(=O)CN(C)C(=O)C1CC1)C1CCOCC1
342082417	ZINC000625332857	mid	4.05	-34.01	1	256.39	1.208	1	3	6	CCN(C[C@H]1COCCO1)C[C@H]1CCC[N@H+]1CC
342082418	ZINC000625332857	mid	4.58	-34.24	1	256.39	1.208	1	3	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H]1COCCO1
342082419	ZINC000625332857	mid	4.05	-34.01	1	256.39	1.208	1	3	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H]1COCCO1
342082420	ZINC000625329683	ref	1.77	-14.36	0	276.358	1.299	1	5	9	CCC[C@@H](CNS(=O)(=O)Cc1ccon1)OCC
214189780	ZINC000053597651	ref	10.98	-18.74	0	347.484	3.058	0	5	4	CCc1cc2c(=O)n(CC(=O)N(C)[C@H]3CCCC[C@@H]3C)cnc2s1
365622236	ZINC000617372473	ref	2.25	-8.69	0	267.329	0.591	1	5	5	COC[C@H](NC(=O)c1ccnn1C)C1CCOCC1
342082421	ZINC000625329683	high	1.82	-47.07	-1	276.358	1.299	0	5	9	CCC[C@@H](C[N-]S(=O)(=O)Cc1ccon1)OCC
365622245	ZINC000617373629	ref	4.21	-10.74	0	271.357	0.971	1	4	8	COC[C@H](NC(=O)COCC1CC1)C1CCOCC1
342082422	ZINC000625332909	ref	6.26	-36.69	1	294.447	1.734	1	5	6	CCN(Cc1nnnn1C(C)(C)C)C[C@H]1CCC[N@@H+]1CC
342082423	ZINC000625332909	mid	6.35	-47.48	1	294.447	1.734	1	5	6	CCN(Cc1nnnn1C(C)(C)C)C[C@H]1CCC[N@H+]1CC
365622251	ZINC000617371881	ref	2.09	-7.03	0	259.346	0.827	1	4	7	COC[C@H](C)C(=O)N[C@@H](COC)C1CCOCC1
365622218	ZINC000625029005	ref	7.44	-15.6	0	305.378	2.315	1	5	8	Cc1cncn1CC(=O)N[C@H](COCC(C)C)c1ccco1
214189783	ZINC000053604502	ref	2.32	-12.15	0	335.452	1.369	1	6	5	CC(C)(C)NC(=O)CN1CCCN(Cc2noc(C3CC3)n2)CC1
214189786	ZINC000053604502	mid	4.56	-39.31	1	335.452	1.369	2	5	5	CC(C)(C)NC(=O)C[N@@H+]1CCCN(Cc2noc(C3CC3)n2)CC1
342598112	ZINC000616989017	ref	5.72	-41.53	1	261.369	1.932	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccncc2)C1
365622225	ZINC000625029005	mid	7.95	-36.62	1	305.378	2.315	1	4	8	Cc1c[nH+]cn1CC(=O)N[C@H](COCC(C)C)c1ccco1
214189787	ZINC000053604502	mid	3.69	-37.52	1	335.452	1.369	2	5	5	CC(C)(C)NC(=O)C[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1
214189790	ZINC000053601329	ref	6.21	-45.09	1	336.436	0.698	3	3	6	CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1
398246292	ZINC000230767010	ref	7.82	-47.46	0	227.348	2.656	1	2	6	CC(C)C[C@H]1CCC[C@@H]([NH2+]CCC(=O)[O-])C1
398246296	ZINC000417635929	ref	4.58	-48.54	1	225.336	1.18	2	1	2	C[C@@H](NC(=O)N1CC[NH2+]CC1)C1CCCC1
365622229	ZINC000625030754	ref	7.16	-17.39	0	307.438	2.36	1	2	2	C[C@@H]1CCC[C@@H](C)N(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365622235	ZINC000625029192	ref	5.69	-7.42	0	308.466	2.43	1	3	7	C[C@H]1CN(CCNC(=O)CC(C2CCC2)C2CCC2)CCO1
365622244	ZINC000625029192	low	7.89	-41.05	1	308.466	2.43	2	2	7	C[C@H]1C[N@H+](CCNC(=O)CC(C2CCC2)C2CCC2)CCO1
349535734	ZINC000258935450	ref	3.24	-50.78	1	242.269	1.218	2	1	5	C[C@H](C[NH3+])C(=O)NCCc1ccc(F)cc1F
365622248	ZINC000625029192	low	7.92	-41.56	1	308.466	2.43	2	2	7	C[C@H]1C[N@@H+](CCNC(=O)CC(C2CCC2)C2CCC2)CCO1
398246299	ZINC000417635929	mid	3.28	-8.05	0	225.336	1.18	2	2	2	C[C@@H](NC(=O)N1CCNCC1)C1CCCC1
365622255	ZINC000625030946	ref	6.63	-13.52	0	305.374	2.45	1	4	6	COc1cccc2c1OCC[C@@H]2NC(=O)[C@H](C)OCC1CC1
365622260	ZINC000625031466	ref	8.13	-11.0	0	318.425	2.331	1	6	10	CCOCCCn1c(-c2cn[nH]c2)nnc1N(C)CCC1CC1
365622267	ZINC000625030256	ref	2.23	-9.48	0	313.41	2.138	2	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@@H]1CCC[C@@H]1O
365622275	ZINC000625028597	ref	7.23	-19.4	0	305.422	2.138	1	2	4	C=CC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365622280	ZINC000625027881	ref	7.2	-11.45	0	318.425	2.187	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@@H](C)[C@@H](C)C1
349535741	ZINC000602431407	ref	5.81	-48.31	1	247.342	1.281	1	2	2	C[NH2+]C1CCN(C(=O)C2(C#N)CC3(CC3)C2)CC1
398246301	ZINC000645407090	ref	3.3	-31.26	1	204.273	0.998	2	2	4	CC#CC[C@H](CO)Nc1cc[nH+]cc1C
219048544	ZINC000286550179	low	5.96	-36.75	1	312.377	1.653	3	6	5	CCc1ccc([C@H](O)CNc2nc3c(cnn3C)c(N)[nH+]2)cc1
342598113	ZINC000616989017	mid	5.69	-40.96	1	261.369	1.932	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccncc2)C1
219048546	ZINC000286549517	ref	4.95	-12.22	0	302.378	2.09	2	4	7	CCn1cc(CNC(=O)NCCOc2ccc(C)cc2)cn1
219048550	ZINC000286550726	ref	5.76	-11.37	0	317.393	2.124	1	6	6	CC(C)Oc1ccc(C(=O)N[C@@H](c2nncn2C)C(C)C)cn1
219048556	ZINC000286550651	ref	6.82	-12.06	0	320.418	2.076	1	6	4	CC(C)[C@@H](NC(=O)c1cc2c(s1)CCOC2)c1nncn1C
219048559	ZINC000286549341	ref	6.07	-10.6	0	319.361	2.208	1	5	4	CCOC1CC2(CCN(C(=O)c3cc([N+](=O)[O-])ccc3N)C2)C1
219048562	ZINC000286548771	ref	4.97	-14.33	0	306.366	1.887	1	5	5	CCCC[C@@H]1NC(=O)N(c2cc([C@H]3CCCO3)nn2C)C1=O
342598114	ZINC000590824869	ref	2.63	-12.05	0	257.297	1.81	2	4	3	Cc1cccc(CNC(=O)Nc2cnc(C)nc2)n1
342598115	ZINC000590823922	ref	3.2	-20.59	0	286.372	1.971	2	2	6	C[C@H](F)CCNC(=O)NCc1ccc([S@](C)=O)cc1
342598116	ZINC000364848451	ref	3.39	-49.31	1	252.358	1.587	2	3	5	CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@H]21
342598117	ZINC000590809862	ref	4.02	-14.2	0	294.298	1.053	2	4	7	CCOC(=O)COCCNC(=O)N[C@@H]1CCC(F)(F)C1
342598118	ZINC000590824898	ref	5.65	-17.33	0	265.357	1.747	1	3	4	CO[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)C1CC1
290623005	ZINC000071825516	ref	6.75	-7.03	0	291.395	2.022	0	3	1	C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)C2=NN(C)C(=O)CC2)C1
342598119	ZINC000590813343	ref	5.04	-45.29	1	297.443	1.526	2	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)NC(=O)C(C)(C)C)C1
197596621	ZINC000290104801	ref	5.99	-13.04	0	299.37	2.937	2	3	6	CCOc1cccc(C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)c1
342598120	ZINC000590824873	ref	4.16	-13.32	0	264.329	1.675	1	4	4	CCN(C[C@@H]1CCOC1)C(=O)Nc1cnc(C)nc1
342598121	ZINC000590823919	ref	3.2	-21.06	0	286.372	1.971	2	2	6	C[C@H](F)CCNC(=O)NCc1ccc([S@@](C)=O)cc1
365622222	ZINC000121833937	mid	6.47	-7.81	0	296.455	2.384	0	3	6	CCC(CC)CC(=O)N1CCC(CN2CCOCC2)CC1
342598122	ZINC000194624775	ref	3.49	-57.51	1	288.388	1.414	1	3	7	C[C@H](CS(C)(=O)=O)N(CCC[NH3+])c1cccc(F)c1
342598123	ZINC000590823921	ref	3.2	-20.61	0	286.372	1.971	2	2	6	C[C@@H](F)CCNC(=O)NCc1ccc([S@@](C)=O)cc1
342598124	ZINC000616988962	ref	1.57	-7.8	0	290.146	1.761	2	3	3	O=C(NCc1cc(Cl)cc(Cl)c1)[C@@]1(O)CCOC1
342598125	ZINC000590810282	ref	5.12	-40.97	1	250.346	1.023	1	3	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2ccn(C)n2)C1
178291819	ZINC000237001270	high	4.23	-84.22	0	371.478	1.342	1	3	8	CC[NH2+]CC1CCN(C(=O)CC[N-]S(=O)(=O)c2ccccc2F)CC1
342598126	ZINC000590810189	ref	4.89	-43.25	1	264.373	1.575	2	2	4	CCc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)[nH]n1
178291821	ZINC000236987512	ref	5.0	-48.86	1	367.515	1.755	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H]2CCC[NH2+]C2)c1
219048548	ZINC000097694716	ref	4.78	-40.25	1	329.444	1.446	2	4	3	Cn1c(CN2CCC[N@@H+]([C@H]3COC[C@@H]3O)CC2)cc2ccccc21
219048549	ZINC000097694716	mid	4.9	-40.99	1	329.444	1.446	2	4	3	Cn1c(CN2CCC[N@H+]([C@H]3COC[C@@H]3O)CC2)cc2ccccc21
214189788	ZINC000337634309	ref	-2.21	-11.1	0	298.343	0.37	4	5	7	C[C@@H](O)CC(C)(C)CNC(=O)NCc1cc(C(N)=O)no1
178291825	ZINC000237000898	ref	4.61	-56.36	1	353.488	1.591	2	3	7	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1
178291829	ZINC000236995197	ref	5.08	-50.67	1	355.504	1.916	1	3	9	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)[C@H](C)C[NH3+])cc1
178291834	ZINC000237001089	ref	4.61	-53.7	1	371.478	1.342	2	3	8	CC[NH2+]CC1CCN(C(=O)CCNS(=O)(=O)c2ccc(F)cc2)CC1
219048551	ZINC000097694716	mid	5.19	-45.49	1	329.444	1.446	2	4	3	Cn1c(C[N@@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)cc2ccccc21
178291838	ZINC000236989732	ref	4.0	-55.86	1	353.488	1.509	2	3	7	CC[NH2+]CCNC(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
214189792	ZINC000337636183	ref	8.18	-9.52	0	257.337	2.377	1	3	4	CC(=O)N[C@H](Cn1ccnc1)c1ccc(C)cc1C
219048553	ZINC000097694716	mid	4.56	-44.72	1	329.444	1.446	2	4	3	Cn1c(C[N@H+]2CCCN([C@H]3COC[C@@H]3O)CC2)cc2ccccc21
214189794	ZINC000337636183	low	8.7	-38.73	1	257.337	2.377	1	2	4	CC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C
214189797	ZINC000337635972	ref	-1.2	-14.29	0	284.272	-0.474	3	6	7	COC(=O)CCCNC(=O)NCc1cc(C(N)=O)no1
219048555	ZINC000097694716	high	3.0	-7.32	0	329.444	1.446	1	5	3	Cn1c(CN2CCCN([C@H]3COC[C@@H]3O)CC2)cc2ccccc21
219048558	ZINC000097695126	ref	1.63	-8.63	0	339.446	1.856	1	8	4	C[C@H]1CN(Cc2csc(NC(=O)c3csnn3)n2)C[C@H](C)O1
214189799	ZINC000337634955	ref	7.15	-13.72	0	299.374	2.216	0	4	4	C[C@@H](C(=O)N(C)C[C@H]1OCCc2ccccc21)n1cccn1
219048560	ZINC000097695126	high	0.46	-42.25	-1	339.446	1.856	0	8	4	C[C@H]1CN(Cc2csc([N-]C(=O)c3csnn3)n2)C[C@H](C)O1
133427866	ZINC000306438183	ref	4.7	-16.72	0	164.208	0.911	0	2	1	N#CCC(=O)N1C[C@H]2CCC[C@H]21
398246297	ZINC000350783304	ref	5.9	-47.06	1	245.326	2.622	1	3	5	CCc1ccc(-c2noc([C@H](C)C[NH2+]C)n2)cc1
190492028	ZINC000269414388	ref	8.32	-16.86	0	274.324	2.32	1	4	2	Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2nc[nH]n2)o1
343994358	ZINC000625559265	ref	2.17	-11.46	0	233.333	1.051	1	3	5	C/C=C/CNS(=O)(=O)C[C@H]1CCCCO1
398246300	ZINC000179909273	ref	6.65	-5.88	0	239.322	2.423	0	3	2	C[C@H]1Cc2ccccc2CN1Cc1cncnc1
398246303	ZINC000179909273	mid	8.81	-42.22	1	239.322	2.423	1	2	2	C[C@H]1Cc2ccccc2C[N@@H+]1Cc1cncnc1
398246306	ZINC000179909273	mid	8.56	-43.53	1	239.322	2.423	1	2	2	C[C@H]1Cc2ccccc2C[N@H+]1Cc1cncnc1
361822855	ZINC000340554042	ref	3.9	-16.4	0	266.322	1.133	0	4	1	C[C@@H]1[C@@H](C)[S@@](=O)CCN1C(=O)c1ccc(C#N)o1
398246308	ZINC000179907035	ref	8.56	-35.0	1	238.4	2.547	1	2	6	CN(C)c1ccccc1CSCC[NH+](C)C
398246311	ZINC000179907035	high	6.08	-2.9	0	238.4	2.547	0	3	6	CN(C)CCSCc1ccccc1N(C)C
398246314	ZINC000179907141	ref	6.81	-37.51	1	242.407	2.515	1	1	6	CC(C)CC[C@@H]([NH2+]CC(=O)N(C)C)C(C)(C)C
361822861	ZINC000159730693	ref	4.13	-18.98	0	257.315	1.477	1	5	5	Cc1cc([N+](=O)[O-])cnc1NC[C@@H](C)[S@@](C)=O
178291839	ZINC000192709328	ref	4.8	-5.87	0	249.31	2.561	1	4	2	Cc1cc2c(cc1N[C@H]1CCOC[C@H]1C)OCO2
349535737	ZINC000594971254	ref	7.73	-9.63	0	279.384	2.782	1	5	5	CC(C)(C)OC(=O)C(C)(C)n1cc(NCC2CC2)cn1
349535744	ZINC000594971188	ref	7.3	-41.25	1	271.401	2.513	1	3	8	COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C[C@H](C)OC)C1
282952226	ZINC000451292736	ref	2.1	-10.88	0	277.43	2.037	2	3	8	C[C@@H](CCCO)NS(=O)(=O)CCC1CCCCC1
398246317	ZINC000350842902	ref	2.1	-8.13	0	249.376	1.519	1	3	5	COC[C@H](C)S(=O)(=O)N[C@@H]1CCC(C)(C)C1
349535750	ZINC000594970233	ref	8.7	-46.09	1	270.376	2.899	1	2	6	CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1
343994362	ZINC000625559075	ref	-2.57	-11.86	0	241.247	-0.11	1	5	4	COc1nc(C(=O)N[C@@H](C)C(=O)N(C)C)co1
361822868	ZINC000562824859	ref	7.97	-39.56	1	290.411	1.948	2	2	2	C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC1(C#N)CCC1
361822871	ZINC000562824859	mid	7.63	-42.22	1	290.411	1.948	2	2	2	C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)NCC1(C#N)CCC1
361822876	ZINC000562824859	mid	5.92	-8.93	0	290.411	1.948	1	3	2	C[C@H]1CN2CCCC[C@H]2CN1C(=O)NCC1(C#N)CCC1
361822883	ZINC000635537911	ref	0.61	-11.24	0	264.325	1.258	2	4	6	CCCOc1ccc(CNC(=O)[C@@H]2C[C@H](O)C2)cn1
361822888	ZINC000635538680	ref	3.41	-14.97	0	298.346	1.333	3	3	4	O=C(NC[C@H]1CCCNC1=O)c1ccccc1-c1cn[nH]c1
365622226	ZINC000274317487	mid	4.78	-40.16	1	279.359	1.375	1	3	4	Fc1cncc(CN2CC[C@H](C[NH+]3CCOCC3)C2)c1
342598127	ZINC000590810189	mid	5.1	-39.76	1	264.373	1.575	2	2	4	CCc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)n[nH]1
365622232	ZINC000274317487	high	2.62	-4.83	0	279.359	1.375	0	4	4	Fc1cncc(CN2CC[C@H](CN3CCOCC3)C2)c1
342598128	ZINC000590824087	ref	2.54	-15.2	0	291.351	1.562	3	3	5	CC(=O)N(C)c1ccc(NC(=O)NC[C@@H](O)C2CC2)cc1
342598129	ZINC000590824770	ref	0.19	-11.39	0	250.302	1.21	3	4	2	Cc1ncc(NC(=O)N[C@@H]2CCC[C@H](O)C2)cn1
365622239	ZINC000274316579	ref	5.03	-6.35	0	276.34	1.452	1	4	2	C[C@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2cncnc2)C1
365622246	ZINC000274317356	ref	3.8	-12.39	0	298.349	1.596	1	8	4	CCc1nnsc1C(=O)Nc1ncc(C(=O)OC)s1
365622252	ZINC000274317356	high	2.65	-32.88	-1	298.349	1.596	0	8	4	CCc1nnsc1C(=O)[N-]c1ncc(C(=O)OC)s1
365622257	ZINC000274318036	ref	5.08	-19.75	0	287.327	1.315	2	5	2	Cc1nnc([C@H]2CCCN(C(=O)Nc3cncnc3)C2)[nH]1
365622264	ZINC000274317307	ref	6.82	-19.75	0	294.424	1.973	1	4	4	CC[C@@H]1CCN(C(=O)NCCc2cn3c(n2)SCC3)C1
342598130	ZINC000616988751	ref	6.03	-10.03	0	294.301	1.848	1	2	3	O=C(NCC(=O)N1C2CCC1CC2)c1ccc(F)c(F)c1
365622276	ZINC000274317308	ref	6.82	-19.71	0	294.424	1.973	1	4	4	CC[C@H]1CCN(C(=O)NCCc2cn3c(n2)SCC3)C1
282120186	ZINC000533443889	ref	5.69	-20.86	0	289.379	1.387	1	3	5	CCC(=O)N1CC[C@H](C(=O)N[C@H](C)Cc2ccncc2)C1
342598131	ZINC000616988930	ref	4.48	-37.7	1	276.384	1.635	2	3	3	Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
282120190	ZINC000533443386	ref	2.3	-21.98	0	251.286	1.18	1	4	3	CCC(=O)N1CC[C@H](C(=O)Nc2ncc(C)o2)C1
365622281	ZINC000274318121	ref	3.39	-14.94	0	294.33	1.73	2	3	4	NC(=O)CCC1CCN(C(=O)Nc2cccc(F)n2)CC1
282120194	ZINC000533444639	ref	3.32	-47.86	-1	289.383	1.239	2	2	3	C[N@@H+]1CCC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1
342598132	ZINC000616988930	mid	4.48	-38.13	1	276.384	1.635	2	3	3	Cc1cnc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
342598133	ZINC000590824485	ref	7.66	-45.13	1	296.39	1.9	2	2	6	N#C[C@@]1(F)CCN(C(=O)NCCCCC[NH+]2CCCC2)C1
365622291	ZINC000274318359	ref	7.56	-7.79	0	279.384	1.974	0	5	3	Cn1cncc1CN1CCC[C@H](C(=O)OC(C)(C)C)C1
365622295	ZINC000274318359	mid	10.0	-41.32	1	279.384	1.974	1	4	3	Cn1cncc1C[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1
342598134	ZINC000590824476	ref	5.57	-23.59	0	288.307	1.554	1	5	3	CCOC(=O)c1cnc(C)c(NC(=O)N2CC(C#N)C2)c1
178291842	ZINC000236989029	ref	4.44	-54.93	1	364.465	1.991	3	2	7	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC(C[NH3+])CC1
214189789	ZINC000293643284	ref	2.34	-16.34	0	351.407	0.616	3	6	8	CCC(CC)(CNC(=O)CCc1nc2c(=O)[nH]c(=O)n(C)c2[nH]1)OC
214189791	ZINC000293644641	ref	3.47	-18.98	0	364.377	0.931	2	4	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1
219048554	ZINC000350692532	ref	5.61	-8.42	0	268.401	2.186	1	2	6	CCCNC(=O)CCC(=O)N1CC(C)(C)[C@H]1C(C)C
178291846	ZINC000236999924	ref	2.66	-77.68	0	353.469	1.888	2	4	8	CC[NH2+]CCNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1
178291849	ZINC000236999924	low	2.65	-54.08	1	353.469	1.888	3	4	8	CC[NH2+]CCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
178291851	ZINC000236994755	ref	7.25	-46.68	1	365.518	1.831	2	3	7	CC[C@H](OC1CCCC1)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178291855	ZINC000236986213	ref	4.95	-48.45	1	367.515	1.897	2	3	7	CC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)ccc1C
219048557	ZINC000350696421	ref	7.85	-9.69	0	287.425	2.176	0	4	6	COC(=O)CSCCC(=O)N1CC(C)(C)[C@H]1C(C)C
178291859	ZINC000236987078	ref	3.18	-42.3	1	355.504	1.753	3	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C
214189795	ZINC000293649219	ref	3.5	-20.81	0	358.42	0.684	2	8	9	COC(=O)[C@@H](CNC(=O)CCC(=O)Nc1nnc(C(C)C)s1)OC
290623007	ZINC000492525276	ref	5.43	-11.32	0	274.364	2.336	1	3	7	COCCC1(CNC(=O)/C=C\c2cnccc2C)CC1
219048561	ZINC000350686746	ref	6.57	-14.68	0	299.37	2.448	1	3	4	C[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CC[C@@H](CO)C1
219048574	ZINC000350693461	ref	5.1	-6.8	0	299.459	2.175	1	3	7	CCCN(CC(C)C)C(=O)NCC(C)(C)N1CCOCC1
178291862	ZINC000236987078	high	2.84	-10.97	0	355.504	1.753	3	4	7	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C
219048577	ZINC000350693461	low	7.04	-38.49	1	299.459	2.175	2	2	7	CCCN(CC(C)C)C(=O)NCC(C)(C)[NH+]1CCOCC1
178291866	ZINC000236992591	ref	4.36	-46.61	1	373.544	1.579	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCC[NH2+]2)s1
214189798	ZINC000293645309	ref	-0.96	-14.99	0	352.387	0.09	3	6	8	COc1ccc(C(=O)NCC(=O)NC[C@H]2CC[C@@H](CO)O2)cc1OC
219048579	ZINC000350683566	ref	3.15	-10.79	0	282.303	2.165	1	5	3	Cc1noc(CNC(=O)c2ccc3nccc(C)c3c2)n1
219048583	ZINC000350685370	ref	4.19	-5.22	0	255.337	2.008	2	4	6	CCC(O)(CC)CCNc1nc(C)nc(C)c1F
323004217	ZINC000126728548	high	8.11	-5.93	0	230.355	3.147	1	2	6	CC[C@H](Cc1ccccc1)NCC(C)(C)C#N
398246302	ZINC000651448167	mid	10.26	-30.25	1	278.359	3.124	1	2	1	C[C@@H]1CN(c2[nH+]cnc3[nH]ccc23)CCc2ccccc21
398246304	ZINC000651446821	ref	8.74	-5.9	0	267.376	3.26	0	3	1	Cc1cnc(C)c(N2CCc3ccccc3[C@H](C)C2)n1
197596632	ZINC000162850663	ref	2.67	-54.99	1	305.378	1.463	2	3	4	COc1cc(C(=O)N(C)C)ccc1NC(=O)[C@H]1CC[C@H]([NH3+])C1
282120187	ZINC000248951633	mid	6.0	-52.19	1	324.377	1.835	2	5	7	CC[C@]1(C)C[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1
214189800	ZINC000053596883	ref	6.58	-13.23	0	327.479	2.46	1	7	9	CCCNc1nnc(SCC(=O)N(CC)C[C@@H](C)C#N)s1
214189804	ZINC000053595006	ref	5.99	-20.01	0	330.388	0.902	0	6	2	Cc1nn(CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)c(=O)c(C#N)c1C
214189808	ZINC000053603937	ref	3.41	-9.62	0	346.406	2.413	0	6	6	COc1ccc(CN2CCN(Cc3noc(C4CC4)n3)CC2)cc1F
214189812	ZINC000053603937	low	5.84	-47.4	1	346.406	2.413	1	5	6	COc1ccc(C[NH+]2CCN(Cc3noc(C4CC4)n3)CC2)cc1F
214189815	ZINC000053601350	ref	7.86	-15.42	0	341.417	4.065	1	6	3	CC(=O)c1ccc(NC(=O)c2cc3c(nc4sccn43)s2)cc1
214189818	ZINC000053599151	ref	7.84	-21.09	0	346.39	3.551	2	4	3	Cc1c(C(=O)Nc2cnc(-c3ccccc3)nc2)[nH]c2c1C(=O)CCC2
214189822	ZINC000053597843	ref	9.42	-20.3	0	332.429	2.029	0	6	6	CCc1cc2c(=O)n(CC(=O)N(CC)C[C@H](C)C#N)cnc2s1
214189825	ZINC000053603116	ref	7.05	-13.63	0	341.358	2.51	1	3	3	CCOC(=O)N1CCN(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)CC1
214189827	ZINC000053600540	ref	7.37	-11.29	0	345.489	3.629	2	4	5	O=C(NC[C@H](O)c1ccccc1)c1ccc(C2SCCS2)cc1
214189831	ZINC000053601358	ref	4.43	-17.55	0	338.367	1.517	2	5	6	C[C@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(N)=O
214189836	ZINC000053609290	ref	4.8	-11.19	0	326.194	2.102	0	4	3	C[C@H](CC#N)N1CCN(C(=O)c2ccc(Br)o2)CC1
342082424	ZINC000625332888	ref	5.75	-32.01	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)c1nnc(C)[nH]1
214189838	ZINC000053595899	ref	5.0	-16.15	0	345.399	1.74	2	4	6	COC(=O)Nc1ccc(CNC(=O)[C@H]2CC(=O)N(CC3CC3)C2)cc1
342082425	ZINC000625332888	mid	4.68	-37.01	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)c1nnc(C)[nH]1
342082426	ZINC000625332888	mid	5.75	-32.01	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)c1n[nH]c(C)n1
342082427	ZINC000625332888	mid	4.68	-37.01	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)c1n[nH]c(C)n1
365622228	ZINC000121832385	ref	6.26	-8.82	0	296.317	2.135	1	2	2	O=C(NCC(F)F)N1CCO[C@]2(CCc3ccccc32)C1
365622238	ZINC000121840605	ref	4.5	-12.27	0	274.389	2.291	1	3	6	C[S@@](=O)C[C@H](NCc1ccccn1)c1ccccc1
219048563	ZINC000097696301	ref	7.77	-7.65	0	348.487	3.507	2	3	2	CC(C)(C)c1ccc(C(C)(C)C)c(NC(=O)N2CCOC[C@@H]2CO)c1
214189801	ZINC000293643241	ref	1.0	-21.17	0	358.46	0.004	2	5	11	COCCCS(=O)(=O)NCC(=O)N(C)C[C@@H](O)Cc1ccccc1
365622243	ZINC000121840605	mid	5.6	-46.18	1	274.389	2.291	1	2	6	C[S@@](=O)C[C@H]([NH2+]Cc1ccccn1)c1ccccc1
365622249	ZINC000121840248	ref	6.01	-41.71	1	290.407	2.268	2	2	6	CC[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)Oc1ccccc1C
219048564	ZINC000097694719	ref	7.11	-13.75	0	348.402	2.955	2	3	4	COc1cc2c(cc1CNC(=O)c1c[nH]c(=O)c3ccccc13)CCC2
219048566	ZINC000097694832	ref	5.33	-15.84	0	349.431	0.809	0	5	5	COCC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3ccco3)CC2)C1
219048568	ZINC000097694832	low	7.54	-48.58	1	349.431	0.809	1	4	5	COCC(=O)N1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccco3)CC2)C1
282120188	ZINC000248951633	mid	5.92	-52.45	1	324.377	1.835	2	5	7	CC[C@]1(C)C[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CCO1
282120196	ZINC000248948634	ref	3.11	-10.5	0	304.437	1.515	0	5	6	CCN(CCc1nccs1)S(=O)(=O)[C@H]1CCO[C@H]1C
219048570	ZINC000097696194	ref	3.67	-17.54	0	345.432	1.753	2	8	3	Cc1cc(C)n2nc(C)c(C(=O)NC(C)(C)c3nnc(N)s3)c2n1
282120200	ZINC000248949742	ref	3.79	-12.02	0	316.329	1.228	1	4	3	C[C@@H]1CCN(S(=O)(=O)c2c(F)cc(C#N)cc2F)[C@H]1CO
219048573	ZINC000097694835	ref	5.5	-15.24	0	347.444	1.689	1	7	5	Cc1nn(C)c(C)c1CN(CCO)C(=O)c1c(C)nc2sccn12
214189803	ZINC000293648641	ref	6.51	-15.98	0	353.306	0.893	1	6	5	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1
323004218	ZINC000156201847	ref	0.62	-20.95	0	216.306	0.076	2	2	5	C#CCNC(=O)NCC[C@H](C)[S@@](C)=O
342082428	ZINC000625332863	ref	4.7	-32.2	1	256.39	1.208	1	3	6	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@@H]1COCCO1
342082429	ZINC000625332863	mid	4.69	-32.43	1	256.39	1.208	1	3	6	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@@H]1COCCO1
342082430	ZINC000625332863	mid	4.7	-32.2	1	256.39	1.208	1	3	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H]1COCCO1
342082431	ZINC000625332863	mid	4.69	-32.43	1	256.39	1.208	1	3	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H]1COCCO1
342082432	ZINC000625329977	ref	7.16	-33.16	1	251.378	1.121	1	4	6	CCN(Cc1ncnn1C)C[C@H]1CCC[N@@H+]1CC
197596640	ZINC000162855812	ref	2.7	-12.34	0	320.389	1.044	2	4	6	CCOc1ccc(C(=O)NCC(=O)N2CC[C@H]([C@@H](C)O)C2)cc1
342598135	ZINC000194624760	ref	3.39	-64.05	1	288.388	1.414	1	3	7	C[C@@H](CS(C)(=O)=O)N(CCC[NH3+])c1cccc(F)c1
342598136	ZINC000590824874	ref	3.98	-44.89	1	263.345	1.248	3	3	4	CC[N@@H+]1CC[C@H](CNC(=O)Nc2cnc(C)nc2)C1
365622256	ZINC000121835597	ref	6.15	-40.2	1	288.395	2.291	1	4	7	C[C@H](Cn1cccn1)[NH2+]C[C@H](c1ccco1)N1CCCC1
365622263	ZINC000121835597	high	5.35	-8.78	0	288.395	2.291	1	5	7	C[C@H](Cn1cccn1)NC[C@H](c1ccco1)N1CCCC1
365622270	ZINC000121835428	ref	6.39	-32.15	1	288.395	2.291	1	4	7	C[C@@H](Cn1cccn1)[NH2+]C[C@H](c1ccco1)N1CCCC1
342598137	ZINC000590824874	mid	3.97	-44.58	1	263.345	1.248	3	3	4	CC[N@H+]1CC[C@H](CNC(=O)Nc2cnc(C)nc2)C1
342598138	ZINC000590824816	ref	4.43	-12.18	0	255.293	1.059	1	3	4	CO[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)C1CC1
365622278	ZINC000121835428	high	5.81	-6.86	0	288.395	2.291	1	5	7	C[C@@H](Cn1cccn1)NC[C@H](c1ccco1)N1CCCC1
214189802	ZINC000337635162	ref	5.46	-10.76	0	282.34	0.409	0	4	3	CCOC(=O)C1(C(=O)N2CC(=O)N(C)[C@H](C)C2)CCC1
342598139	ZINC000590813345	ref	5.05	-42.19	1	297.443	1.526	2	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H](C)NC(=O)C(C)(C)C)C1
365622285	ZINC000121831667	ref	5.75	-10.17	0	250.346	2.368	2	3	5	CC(C)CC1(CNC(=O)Nc2ccn(C)n2)CC1
365622292	ZINC000121836354	ref	2.91	-6.63	0	265.353	2.0	2	3	7	CCC[C@@](C)(O)C(=O)NCc1ccc(COC)cc1
365622297	ZINC000121836117	ref	7.93	-10.87	0	299.374	2.371	0	4	4	CN(CC1CCOCC1)C(=O)c1ccn(-c2ccccc2)n1
197596652	ZINC000162860012	ref	4.57	-9.91	0	301.321	2.038	2	3	4	CCc1ccc(NC(=O)C(=O)NCc2ccncc2)cc1F
197596655	ZINC000162860409	ref	4.55	-9.88	0	301.321	2.038	2	3	4	CCc1ccc(NC(=O)C(=O)NCc2cccnc2)cc1F
342598140	ZINC000364848449	ref	3.23	-49.84	1	252.358	1.587	2	3	5	CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2O[C@@H](CC#N)C[C@@H]21
342598141	ZINC000590810308	ref	6.65	-84.17	2	255.406	1.316	2	1	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1
342598142	ZINC000590810308	mid	6.64	-83.95	2	255.406	1.316	2	1	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1
365622305	ZINC000121832679	ref	5.62	-12.95	0	256.309	2.404	2	3	4	O=C(NCC1CC1)Nc1cnn(-c2ccccc2)c1
349535738	ZINC000618815785	ref	5.41	-10.79	0	264.716	1.741	0	4	3	CN(Cc1cn(C)nn1)C(=O)c1ccc(Cl)cc1
342598143	ZINC000590810308	high	4.21	-38.99	1	255.406	1.316	1	2	5	CC(C)[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1
342082433	ZINC000625329977	mid	5.98	-40.14	1	251.378	1.121	1	4	6	CCN(Cc1ncnn1C)C[C@H]1CCC[N@H+]1CC
214189805	ZINC000337634773	ref	1.79	-10.66	0	266.345	0.963	2	3	5	CCN(CC)CC(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1
342082434	ZINC000625333545	ref	1.37	-53.38	-1	291.395	1.066	3	3	4	Cc1cccc(O)c1C(=O)N[C@@H](C)CN1CC[NH+](C)CC1
365622258	ZINC000617371297	ref	3.36	-14.11	0	298.383	0.557	1	4	7	COC[C@H](NC(=O)CCN1CCCC1=O)C1CCOCC1
342082435	ZINC000625333545	mid	0.6	-8.45	0	291.395	1.066	2	4	4	Cc1cccc(O)c1C(=O)N[C@@H](C)CN1CCN(C)CC1
365622266	ZINC000617371983	ref	2.47	-7.26	0	271.357	0.971	1	4	5	COC[C@H](NC(=O)[C@H]1CCCOC1)C1CCOCC1
365622274	ZINC000617373628	ref	4.16	-10.74	0	271.357	0.971	1	4	8	COC[C@@H](NC(=O)COCC1CC1)C1CCOCC1
342082436	ZINC000625333545	high	1.37	-53.38	-1	291.395	1.066	1	4	4	Cc1cccc([O-])c1C(=O)N[C@@H](C)CN1CCN(C)CC1
365622282	ZINC000617372572	ref	2.88	-8.85	0	281.356	0.9	1	5	5	COC[C@@H](NC(=O)c1cc(C)nn1C)C1CCOCC1
342082437	ZINC000032493582	ref	5.85	-21.93	0	298.346	1.326	1	4	5	O=C(Cn1cccn1)NCc1ccc(N2CCCC2=O)cc1
342082438	ZINC000625329876	ref	2.72	-13.23	0	262.4	1.999	1	4	6	CCC(C)(C)CS(=O)(=O)NCc1ccns1
342082439	ZINC000608879798	ref	4.33	-17.49	0	256.309	1.779	2	4	5	CC[C@](C)(C#N)NC(=O)CNc1ccc(C#N)cc1
342082440	ZINC000625329588	ref	8.64	-36.61	1	251.378	1.084	1	4	7	CCN(CCn1cncn1)C[C@H]1CCC[N@@H+]1CC
343994359	ZINC000599272845	low	4.82	-46.64	1	279.34	1.263	1	5	3	COC(=O)c1cnc(C[N@@H+]2C[C@@H](C)OC(C)(C)C2)cn1
398246305	ZINC000645407372	ref	2.41	-10.28	0	246.27	1.112	2	6	4	CC#CC[C@@H](CO)Nc1ncnc2onc(C)c12
398246309	ZINC000645407371	ref	2.41	-10.28	0	246.27	1.112	2	6	4	CC#CC[C@H](CO)Nc1ncnc2onc(C)c12
343994364	ZINC000599272845	low	5.22	-45.96	1	279.34	1.263	1	5	3	COC(=O)c1cnc(C[N@H+]2C[C@@H](C)OC(C)(C)C2)cn1
343994369	ZINC000599272596	ref	7.81	-10.1	0	251.326	1.587	0	3	5	COC(=O)[C@H](C)CN(C(=O)C12CC(C1)C2)C1CC1
365622288	ZINC000617373457	ref	1.55	-8.88	0	289.372	0.597	1	5	10	COCCOCCC(=O)N[C@H](COC)C1CCOCC1
398246313	ZINC000285150961	ref	5.99	-3.99	0	206.289	3.236	0	3	4	C=C(C)CCc1noc(C2CCCC2)n1
342082441	ZINC000625329588	mid	7.42	-37.51	1	251.378	1.084	1	4	7	CCN(CCn1cncn1)C[C@H]1CCC[N@H+]1CC
349535742	ZINC000618815913	ref	3.54	-11.84	0	287.363	1.862	3	3	4	C[C@H](CO)[C@@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21
432002768	ZINC000103079266	ref	8.7	-41.25	1	318.461	3.037	2	2	7	COc1ccccc1[C@@H](C)CC(=O)NCCC1CC[NH+](C)CC1
398246307	ZINC000651452846	ref	7.57	-43.09	1	279.33	3.275	1	1	3	C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCc2c(F)cc(F)cc21
398246310	ZINC000651452846	high	6.54	-4.54	0	279.33	3.275	1	2	3	C=C[C@@H]1OCCC[C@H]1N[C@H]1CCc2c(F)cc(F)cc21
365622286	ZINC000625028610	ref	6.9	-19.1	0	305.422	2.112	1	2	2	CC1C[C@@H]2CC[C@H](C1)N2C(=O)N[C@H]1CCN(C2CCC2)C1=O
365622293	ZINC000625028205	ref	4.21	-15.54	0	322.405	2.024	2	4	8	CC(C)COC[C@H](NC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)c1ccco1
365622298	ZINC000625029844	ref	6.23	-9.79	0	321.508	2.205	0	4	7	CCO[C@H](CS(=O)(=O)N1CCS[C@@H](C(C)C)C1)C1CC1
365622303	ZINC000625031888	ref	6.28	-18.74	0	319.449	2.408	2	2	3	O=C(N[C@@H]1CC[C@@H]2CCC[C@@H]2C1)N[C@@H]1CCN(C2CCC2)C1=O
398246312	ZINC000651448586	ref	11.0	-6.61	0	267.376	3.26	0	3	1	Cc1cc(C)nc(N2CCc3ccccc3[C@H](C)C2)n1
365622310	ZINC000625031881	ref	6.7	-19.96	0	307.438	2.362	1	2	4	CCC1(CC)CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
398246315	ZINC000651452437	ref	7.96	-6.41	0	250.386	3.293	1	1	2	CC[C@@H]1CCCCN1C(=O)NC1CC2(CCC2)C1
365622317	ZINC000625029839	ref	6.3	-8.63	0	321.508	2.205	0	4	7	CCO[C@H](CS(=O)(=O)N1CCS[C@H](C(C)C)C1)C1CC1
398246318	ZINC000651447723	ref	10.06	-9.22	0	279.387	3.132	0	3	1	C[C@@H]1CN(c2cc3c(nn2)CCC3)CCc2ccccc21
398246322	ZINC000651452731	ref	8.75	-12.22	0	288.391	3.04	1	2	5	CN(CCOc1ccccc1)C(=O)NC1CC2(CCC2)C1
185089943	ZINC000096077108	ref	2.5	-30.01	1	274.368	0.478	2	3	2	CN1CCNC(=O)C12CC[NH+](Cc1ccccn1)CC2
185089944	ZINC000096077108	mid	0.12	-8.18	0	274.368	0.478	1	4	2	CN1CCNC(=O)C12CCN(Cc1ccccn1)CC2
398246325	ZINC000651452537	ref	7.85	-7.54	0	264.394	3.222	1	2	3	CN(Cc1cccs1)C(=O)NC1CC2(CCC2)C1
365622322	ZINC000625028236	ref	6.03	-18.83	0	305.422	2.162	2	2	3	O=C(NC1CCC2(CC1)CC2)N[C@@H]1CCN(C2CCC2)C1=O
398249535	ZINC000100413415	mid	7.5	-30.34	1	226.408	3.031	2	1	8	CCCCCCCCC[N@@H+]1CCNC[C@H]1C
185089947	ZINC000096077995	ref	10.31	-35.34	1	284.363	2.314	1	4	3	c1cnc(N2CCC23CC[NH+](Cc2ccoc2)CC3)nc1
365622330	ZINC000625029835	ref	5.61	-10.79	0	301.383	2.327	0	3	5	CO[C@@H](CS(=O)(=O)N1CCC[C@@H]1C)c1ccc(F)cc1
349535746	ZINC000602431337	ref	6.95	-42.36	1	241.331	1.44	1	3	5	COC(=O)C1CC[NH+](CCC[C@H]2CCO2)CC1
342082442	ZINC000625329719	ref	1.64	-12.89	0	279.402	1.288	1	4	8	CCC[C@H](CNS(=O)(=O)[C@H]1CCO[C@@H]1C)OCC
365622338	ZINC000625031330	ref	7.54	-10.94	0	316.409	2.251	1	6	7	C=C1CCN(c2nnc(-c3cn[nH]c3)n2CCCOCC)CC1
349535747	ZINC000618815459	ref	4.02	-14.36	0	281.266	1.42	0	5	4	CN(Cc1cn(C)nn1)C(=O)c1ccc(C(F)F)nc1
349535752	ZINC000618815084	ref	3.79	-11.99	0	266.297	1.762	2	4	6	CC(C)(O)CCC(=O)NCc1cccc([N+](=O)[O-])c1
349535760	ZINC000618815927	ref	3.27	-11.83	0	287.363	1.862	3	3	4	C[C@H](CO)[C@H](C)NC(=O)N[C@H]1CCc2cc(C#N)ccc21
290623008	ZINC000334976909	ref	5.36	-8.25	0	256.309	1.796	1	4	3	C[C@H]1CC[C@@H]1NC(=O)c1cn(-c2ccccc2)nn1
365622287	ZINC000336542179	ref	6.02	-10.21	0	295.386	2.429	1	3	3	Cc1ncccc1C(=O)NC[C@@H]1Cc2ccccc2N(C)C1
398246319	ZINC000179906147	ref	8.02	-10.86	0	241.319	3.022	0	4	3	c1ccn2c(CSc3ccncc3)cnc2c1
365622299	ZINC000336542327	ref	7.81	-41.88	1	264.413	2.413	1	1	3	CCC1CCC(N(C)C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1
282120191	ZINC000151565821	ref	7.07	-8.6	0	302.418	2.286	2	2	7	CC(=O)N[C@@H](C(=O)NCC1(Cc2ccccc2)CC1)C(C)C
365622304	ZINC000336542326	ref	7.71	-46.26	1	264.413	2.413	1	1	3	CCC1CCC(N(C)C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1
342598144	ZINC000590809624	ref	6.09	-14.55	0	273.336	1.418	2	3	4	CC(C)[C@@H](CC(=O)NC1=NCC(=O)N1)c1ccccc1
342598145	ZINC000590824768	ref	0.19	-11.39	0	250.302	1.21	3	4	2	Cc1ncc(NC(=O)N[C@H]2CCC[C@@H](O)C2)cn1
342598146	ZINC000590824900	ref	5.59	-16.78	0	265.357	1.747	1	3	4	CO[C@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)C1CC1
342598147	ZINC000590824761	ref	2.08	-13.25	0	292.261	1.876	2	4	6	Cc1ncc(NC(=O)NCCCOCC(F)(F)F)cn1
342598148	ZINC000590810188	ref	4.93	-43.34	1	264.373	1.575	2	2	4	CCc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)[nH]n1
342598149	ZINC000590810188	mid	5.05	-39.67	1	264.373	1.575	2	2	4	CCc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n[nH]1
197596658	ZINC000290104893	ref	3.5	-8.21	0	262.334	1.257	0	5	5	C#CCN(CC#C)Cc1ncc(C2OCCO2)s1
342598150	ZINC000590823990	ref	4.12	-15.73	0	265.357	1.239	2	2	2	O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@@H]1C1CC1
342598151	ZINC000590824845	ref	4.37	-14.55	0	284.323	1.474	1	5	1	Cc1ncc(NC(=O)N2CCc3nc(C)ncc3C2)cn1
214189806	ZINC000337634773	low	3.78	-29.27	1	266.345	0.963	3	2	5	CC[NH+](CC)CC(=O)N=c1cc([C@H]2CCCO2)[nH][nH]1
282120202	ZINC000151577751	ref	4.45	-16.85	0	313.442	2.02	2	3	6	CCCC[C@@H](NC(N)=O)C(=O)N1CCC(OC(C)(C)C)CC1
199273158	ZINC000294962333	ref	7.78	-14.54	0	287.281	2.487	0	2	3	C[C@@H]1CCO[C@@H]1C(=O)N(C)Cc1cc(F)c(F)c(F)c1
342598152	ZINC000590810349	ref	5.06	-43.67	1	264.373	1.331	1	3	3	Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)n(C)n1
178291869	ZINC000236992591	high	2.98	-15.67	0	373.544	1.579	2	5	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCCCN2)s1
178291874	ZINC000236995249	ref	3.85	-58.53	1	355.504	1.964	2	3	9	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1
365622296	ZINC000617372539	ref	3.42	-12.31	0	294.351	0.557	1	5	5	COC[C@H](NC(=O)c1ccc(=O)n(C)c1)C1CCOCC1
365622306	ZINC000617371676	ref	2.92	-12.67	0	281.356	0.9	1	5	5	COC[C@@H](NC(=O)c1cn(C)nc1C)C1CCOCC1
365622313	ZINC000617371296	ref	3.3	-13.63	0	298.383	0.557	1	4	7	COC[C@@H](NC(=O)CCN1CCCC1=O)C1CCOCC1
178291876	ZINC000236995668	ref	5.51	-55.8	1	372.469	1.812	2	4	6	CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1
178291879	ZINC000236995668	high	5.21	-19.68	0	372.469	1.812	2	5	6	CC[C@@H](C)[C@H](N)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1
365622319	ZINC000617372789	ref	1.21	-8.3	0	271.342	0.709	1	6	5	COC[C@H](NC(=O)c1cnns1)C1CCOCC1
365622327	ZINC000617373638	ref	3.37	-10.44	0	259.346	0.969	1	4	7	CCO[C@@H](C)C(=O)N[C@@H](COC)C1CCOCC1
342082443	ZINC000625332875	ref	5.97	-36.09	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)c1nnc(C)[nH]1
199273161	ZINC000294964251	ref	6.22	-42.37	1	299.758	2.253	2	3	7	CCC[NH2+][C@H](C)C(=O)NCc1cc([N+](=O)[O-])ccc1Cl
365622335	ZINC000617372461	ref	1.59	-8.24	0	257.33	0.581	1	4	5	COC[C@@H](NC(=O)[C@H]1CCOC1)C1CCOCC1
178291881	ZINC000236990406	ref	7.56	-112.92	2	368.437	1.665	3	4	7	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)cc21
178291884	ZINC000236990406	high	7.27	-42.95	1	368.437	1.665	3	5	7	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc21
178291887	ZINC000236990406	high	4.79	-14.26	0	368.437	1.665	2	6	7	CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@@H](N)Cc3ccccc3)cc21
412491637	ZINC000343336344	ref	5.6	-9.53	0	310.402	0.146	1	8	5	COC[C@@H]1CN(Cc2nc(N)nc(N(C)C)n2)CC(C)(C)O1
365622342	ZINC000617373183	ref	1.57	-9.08	0	286.372	0.461	2	4	8	CCCC(=O)NCC(=O)N[C@@H](COC)C1CCOCC1
398246323	ZINC000391601914	ref	1.33	-10.91	0	208.265	0.12	2	3	4	CCN1C[C@@H](NCc2cc[nH]n2)CC1=O
178291899	ZINC000236987856	ref	4.29	-51.13	1	353.488	1.507	2	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[NH2+]C2)c1
365622350	ZINC000617371880	ref	2.03	-7.11	0	259.346	0.827	1	4	7	COC[C@H](C)C(=O)N[C@H](COC)C1CCOCC1
398246326	ZINC000391601914	mid	2.56	-52.23	1	208.265	0.12	2	2	4	CCN1C[C@@H]([NH2+]Cc2cc[nH]n2)CC1=O
365622301	ZINC000274318359	mid	10.15	-41.12	1	279.384	1.974	1	4	3	Cn1cncc1C[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1
365622307	ZINC000274317527	ref	6.86	-12.76	0	283.274	1.577	1	3	5	COC(=O)C1(C(=O)NCCc2cccc(F)c2F)CC1
365622316	ZINC000274318435	ref	0.54	-9.74	0	295.335	1.013	2	5	4	COc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c(O)c1
365622320	ZINC000274318435	high	1.51	-59.7	-1	295.335	1.013	1	5	4	COc1ccc(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c([O-])c1
365622326	ZINC000274316866	ref	5.79	-16.59	0	276.34	1.452	1	4	3	CC(C)C(=O)N1CCCC[C@@H]1C(=O)Nc1cncnc1
365622334	ZINC000274317228	ref	4.86	-12.22	0	252.295	1.221	0	6	3	O=c1c2ccsc2ncn1CCC1OCCO1
342598153	ZINC000590824875	ref	3.93	-45.02	1	263.345	1.248	3	3	4	CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc(C)nc2)C1
342598154	ZINC000590824875	mid	3.98	-45.28	1	263.345	1.248	3	3	4	CC[N@H+]1CC[C@@H](CNC(=O)Nc2cnc(C)nc2)C1
342598155	ZINC000590823989	ref	5.01	-18.17	0	265.357	1.239	2	2	2	O=C1NCCCC[C@H]1NC(=O)N1CCC[C@H]1C1CC1
365622340	ZINC000274316590	ref	5.02	-6.53	0	276.34	1.452	1	4	2	C[C@@H]1CCC[C@@H](N(C)C(=O)C(=O)Nc2cncnc2)C1
365622348	ZINC000274318361	ref	0.32	-9.74	0	293.392	1.663	1	6	4	C[C@H](O)C[C@H]1COCCN1Cc1cccc2nsnc12
365622351	ZINC000274318361	low	2.83	-38.73	1	293.392	1.663	2	5	4	C[C@H](O)C[C@H]1COCC[N@@H+]1Cc1cccc2nsnc12
342598156	ZINC000590809766	ref	3.3	-20.49	0	287.323	1.003	3	3	3	Cc1nc(C)c(CC(=O)N=c2cc(C3CC3)[nH][nH]2)c(=O)[nH]1
197596675	ZINC000162855942	ref	2.9	-11.01	0	320.389	1.044	2	4	6	CCOc1ccc(C(=O)NCC(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1
342598157	ZINC000590809766	high	2.2	-60.22	-1	287.323	1.003	2	3	3	Cc1nc(C)c(CC(=O)N=c2cc(C3CC3)[nH][nH]2)c(=O)[n-]1
197596681	ZINC000162857343	ref	9.07	-13.29	0	321.377	2.184	0	5	5	CC(C)C[C@@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O
197596682	ZINC000162849950	ref	4.16	-54.99	1	314.476	2.202	1	3	4	[NH3+]CCc1ccc(S(=O)(=O)N2CC[C@@H]3CCCC[C@@H]32)s1
342598158	ZINC000590810095	ref	4.54	-38.58	1	253.371	1.746	1	3	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cscn2)C1
342598159	ZINC000590824892	ref	3.62	-15.35	0	298.35	1.562	2	5	2	Cc1ncc(NC(=O)N[C@H]2CCc3nc(C)ncc3C2)cn1
349535749	ZINC000602431337	high	4.6	-7.21	0	241.331	1.44	0	4	5	COC(=O)C1CCN(CCC[C@H]2CCO2)CC1
342598160	ZINC000590824379	ref	5.22	-23.15	0	261.329	1.835	1	4	3	Cc1c(NC(=O)N2CC(C#N)C2)cnn1CC(C)C
365622355	ZINC000274318361	low	2.75	-39.27	1	293.392	1.663	2	5	4	C[C@H](O)C[C@H]1COCC[N@H+]1Cc1cccc2nsnc12
342082444	ZINC000625332875	mid	6.67	-29.86	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)c1nnc(C)[nH]1
342082445	ZINC000625332875	mid	5.97	-36.09	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)c1n[nH]c(C)n1
342082446	ZINC000625332875	mid	6.67	-29.86	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)c1n[nH]c(C)n1
342082447	ZINC000625330005	ref	4.18	-12.04	0	294.395	1.955	1	4	7	CCN(Cc1cc(=O)c(OC)co1)C[C@@H]1CCC[N@@H+]1CC
342082448	ZINC000625330005	mid	6.35	-45.25	1	294.395	1.955	1	4	7	CCN(Cc1cc(=O)c(OC)co1)C[C@@H]1CCC[N@H+]1CC
185089948	ZINC000096077995	mid	8.08	-8.0	0	284.363	2.314	0	5	3	c1cnc(N2CCC23CCN(Cc2ccoc2)CC3)nc1
185089950	ZINC000096075920	ref	3.78	-34.22	1	261.369	1.76	1	3	4	CC[N@@H+]1CC[C@]12CCN(Cc1cccnc1OC)C2
185089952	ZINC000096075920	mid	3.75	-34.49	1	261.369	1.76	1	3	4	CC[N@H+]1CC[C@]12CCN(Cc1cccnc1OC)C2
185089954	ZINC000096075920	high	0.72	-4.8	0	261.369	1.76	0	4	4	CCN1CC[C@]12CCN(Cc1cccnc1OC)C2
342082449	ZINC000625330005	high	4.18	-12.04	0	294.395	1.955	0	5	7	CCN(Cc1cc(=O)c(OC)co1)C[C@@H]1CCCN1CC
342082450	ZINC000625329637	ref	2.33	-32.23	1	284.444	1.459	3	3	8	CCN(C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCC[N@@H+]1CC
342082451	ZINC000625329637	mid	3.46	-27.59	1	284.444	1.459	3	3	8	CCN(C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCC[N@H+]1CC
342082452	ZINC000625329637	mid	2.69	-32.55	1	284.444	1.459	3	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H](O)CC1(O)CCC1
342082453	ZINC000625329637	mid	2.65	-33.06	1	284.444	1.459	3	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H](O)CC1(O)CCC1
342082454	ZINC000625329895	ref	6.4	-15.4	0	282.384	1.32	1	3	8	CCO[C@H](C(=O)NCCCN1CCCCC1=O)C1CC1
219048567	ZINC000286548717	ref	3.71	-37.69	1	320.824	2.916	1	4	4	CC[N@@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1
342082455	ZINC000625329703	ref	2.97	-10.08	0	290.385	1.775	1	5	8	CCC[C@@H](CNS(=O)(=O)c1c(C)noc1C)OCC
342082456	ZINC000625329703	high	2.81	-37.37	-1	290.385	1.775	0	5	8	CCC[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)OCC
185089956	ZINC000096075992	ref	6.04	-42.45	1	272.352	1.177	1	3	3	O=C(c1cnccn1)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
185089958	ZINC000096075992	mid	6.12	-41.12	1	272.352	1.177	1	3	3	O=C(c1cnccn1)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
342082457	ZINC000625329608	ref	3.18	-16.03	0	284.319	1.191	2	4	3	O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc(=O)[nH]cn1
168365051	ZINC000125430641	high	5.21	-3.06	0	226.389	3.538	1	3	6	CCC(CC)CN[C@H](C)c1ncc(C)s1
349535753	ZINC000602431509	ref	7.64	-31.42	1	243.347	1.686	1	3	8	CCC[N@H+](CC(=O)OC)C[C@](C)(OC)C1CC1
349535755	ZINC000602431509	mid	7.51	-34.3	1	243.347	1.686	1	3	8	CCC[N@@H+](CC(=O)OC)C[C@](C)(OC)C1CC1
342082458	ZINC000625329608	high	2.03	-40.87	-1	284.319	1.191	1	4	3	O=C(N[C@H]1CCN(c2ccccc2)C1)c1cc(=O)[n-]cn1
342082459	ZINC000625329896	ref	6.53	-14.72	0	282.384	1.32	1	3	8	CCO[C@@H](C(=O)NCCCN1CCCCC1=O)C1CC1
342082460	ZINC000625332318	ref	4.88	-52.02	1	288.457	1.682	1	2	4	C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]CC1CC(C)(C)C1
214189807	ZINC000293636022	ref	-2.89	-71.35	-1	366.399	0.522	2	6	3	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
219048569	ZINC000286548717	mid	3.47	-35.91	1	320.824	2.916	1	4	4	CC[N@H+]1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1
214189810	ZINC000293636022	low	-1.08	-27.61	0	366.399	0.522	3	6	3	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
398246321	ZINC000179906147	low	8.51	-33.46	1	241.319	3.022	0	3	3	c1ccn2c(CSc3ccncc3)c[nH+]c2c1
398246324	ZINC000179907976	ref	4.87	-12.45	0	217.309	1.296	0	3	8	CCN(C(=O)COCCCOC)C(C)C
349535759	ZINC000602431509	mid	7.56	-5.33	0	243.347	1.686	0	4	8	CCCN(CC(=O)OC)C[C@](C)(OC)C1CC1
342082461	ZINC000625329715	ref	1.41	-13.13	0	279.402	1.288	1	4	8	CCC[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H]1C)OCC
398249333	ZINC000651465426	ref	6.41	-8.86	0	296.374	3.076	3	4	5	OCC1(CCNc2ncnc3[nH]c4ccccc4c23)CCC1
178291911	ZINC000029329014	ref	4.65	-6.99	0	240.302	3.48	2	2	0	Cc1cc2c(cc1O)CCc1c-2ccc(O)c1C
349535762	ZINC000602431544	ref	10.37	-48.5	1	248.345	3.758	1	1	6	C[C@@H](CCC#N)C[N@H+](C)[C@H](C)c1ccc(F)cc1
398249334	ZINC000651465426	low	6.81	-33.84	1	296.374	3.076	3	3	5	OCC1(CCNc2[nH+]cnc3[nH]c4ccccc4c23)CCC1
398249335	ZINC000651464418	ref	4.91	-45.72	-1	299.374	3.091	0	4	4	c1ccc([C@@H]2CC[C@@H](CN=c3[n-]c(C4CCC4)no3)O2)cc1
398249336	ZINC000651462589	ref	4.84	-43.1	1	283.437	3.109	2	3	7	C[C@H](CCCCO)[NH2+][C@@H]1CCO[C@@H](c2cccs2)C1
398249337	ZINC000651462332	ref	3.76	-10.97	0	296.436	3.276	2	4	3	Cc1nc(C)c(NC(=O)C2CCC(C(C)(C)O)CC2)s1
398249338	ZINC000651463698	ref	8.51	-40.5	1	281.346	3.355	1	1	5	CO[C@H](C1CC1)[C@@H](C)[NH2+][C@@H]1CCc2c(F)cc(F)cc21
398249339	ZINC000651463698	high	7.73	-2.99	0	281.346	3.355	1	2	5	CO[C@H](C1CC1)[C@@H](C)N[C@@H]1CCc2c(F)cc(F)cc21
349535767	ZINC000602431544	mid	10.37	-49.27	1	248.345	3.758	1	1	6	C[C@@H](CCC#N)C[N@@H+](C)[C@H](C)c1ccc(F)cc1
342598161	ZINC000590824820	ref	4.22	-12.13	0	255.293	1.059	1	3	4	CO[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)C1CC1
342598162	ZINC000590824902	ref	1.55	-11.49	0	263.326	1.872	2	5	3	Cc1ncc(NC(=O)NCc2csc(C)n2)cn1
342598163	ZINC000590824890	ref	3.62	-15.34	0	298.35	1.562	2	5	2	Cc1ncc(NC(=O)N[C@@H]2CCc3nc(C)ncc3C2)cn1
342598164	ZINC000590809625	ref	6.09	-14.6	0	273.336	1.418	2	3	4	CC(C)[C@H](CC(=O)NC1=NCC(=O)N1)c1ccccc1
398246327	ZINC000645407076	ref	2.96	-11.07	0	244.298	1.154	2	5	4	CC#CC[C@@H](CO)Nc1ccnc2c1cnn2C
398246329	ZINC000529459554	ref	7.74	-11.42	0	249.354	3.341	0	2	3	Cc1cocc1C(=O)N1C[C@H](C(C)C)[C@@H]1C(C)C
365622302	ZINC000576536771	ref	3.8	-7.73	0	248.286	0.588	0	6	3	COC[C@H]1CN(c2cc(C#N)ncn2)C[C@H](C)O1
365622311	ZINC000576535396	ref	6.35	-9.05	0	219.288	1.674	1	2	6	C=CCN(CC=C)C(=O)NCC1(C#N)CC1
365622323	ZINC000175898551	ref	2.64	-10.31	0	228.317	1.861	0	4	3	CO[C@H](C)c1nc(C)c(C(=O)N(C)C)s1
365622331	ZINC000576540693	ref	5.7	-6.34	0	219.275	2.728	1	1	5	CC(F)(F)CNC(=O)CCC1CCCC1
365622336	ZINC000576540142	ref	3.49	-17.73	0	248.257	1.569	2	2	4	O=C(Cc1cc2ccccc2[nH]c1=O)NCCF
349535754	ZINC000621247173	ref	4.49	-8.16	0	293.798	2.226	1	3	4	O=C(NC1CCN(Cc2cncc(Cl)c2)CC1)C1CC1
282120193	ZINC000192701969	ref	8.25	-7.32	0	307.39	2.47	1	5	8	CCC(CC)(CN[C@@H](C(=O)OC)c1ccccc1)C(=O)OC
282120206	ZINC000424363958	ref	4.2	-56.79	-1	349.43	1.704	1	7	8	CCC(CC)(CNS(=O)(=O)c1csc(C(=O)OC)c1)C(=O)[O-]
398246331	ZINC000230766013	ref	1.42	-57.84	-1	240.259	0.591	2	6	8	O=C([O-])c1cccc(NCCCOCCO)n1
398246333	ZINC000230766013	low	1.85	-37.75	0	240.259	0.591	2	5	8	O=C([O-])c1cccc(NCCCOCCO)[nH+]1
398246335	ZINC000645406943	ref	6.92	-116.47	2	238.375	1.628	1	2	4	CC1(C)OCC[C@H]1[NH2+][C@H]1CCN(CC2CC2)C1
342598165	ZINC000590823991	ref	4.24	-14.53	0	265.357	1.239	2	2	2	O=C1NCCCC[C@@H]1NC(=O)N1CCC[C@H]1C1CC1
365622341	ZINC000576540788	ref	5.95	-6.8	0	245.244	2.828	1	1	3	Cc1cc(C(=O)NCC(C)(F)F)cc(C)c1F
365622347	ZINC000576538291	ref	3.34	-19.57	0	246.27	1.092	2	4	4	C[C@@H](CC#N)NC(=O)c1cc(=O)[nH]c(C2CC2)n1
365622353	ZINC000576538291	high	2.2	-51.3	-1	246.27	1.092	1	4	4	C[C@@H](CC#N)NC(=O)c1cc(=O)[n-]c(C2CC2)n1
398246337	ZINC000645406943	low	6.79	-116.66	2	238.375	1.628	2	1	4	CC1(C)OCC[C@H]1[NH2+][C@H]1CC[N@H+](CC2CC2)C1
342598166	ZINC000616988521	ref	4.38	-16.97	0	275.135	1.746	2	2	4	CNC(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1
342598167	ZINC000364848582	ref	3.93	-9.71	0	273.398	1.685	1	3	6	C=CCCS(=O)(=O)N[C@@H]1[C@H](C)[C@H](OC)C12CCC2
365622309	ZINC000336542328	ref	7.61	-51.51	1	264.413	2.413	1	1	3	CCC1CCC(N(C)C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1
185089960	ZINC000096075992	high	3.0	-8.52	0	272.352	1.177	0	4	3	O=C(c1cnccn1)N1CC[C@@]2(CCN2CC2CC2)C1
290623009	ZINC000281995654	ref	3.99	-12.07	0	287.285	2.063	1	3	2	CNC(=O)[C@]1(C)CCN(c2ccc(C(F)(F)F)cn2)C1
197596670	ZINC000290107373	ref	8.26	-16.86	0	299.37	2.908	0	3	3	CCOC1CC(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)C1
342598168	ZINC000590809573	ref	5.02	-12.42	0	290.367	1.294	2	2	2	CC(C)(C)N1C[C@H](C(=O)N=c2cc(C3CC3)[nH][nH]2)CC1=O
197596674	ZINC000290104359	ref	2.95	-11.77	0	291.376	1.118	1	4	1	CN1CCN(C(=O)c2ccc3c(c2)SCC(=O)N3)CC1
197596676	ZINC000290104359	mid	5.3	-51.12	1	291.376	1.118	2	3	1	C[NH+]1CCN(C(=O)c2ccc3c(c2)SCC(=O)N3)CC1
342598169	ZINC000590824484	ref	5.66	-10.0	0	291.351	1.584	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C)ncc1C
365622315	ZINC000336542372	ref	4.78	-15.41	0	289.441	2.094	0	3	2	C[C@@H](C(=O)N1CCCC[C@H](S(C)(=O)=O)C1)C(C)(C)C
365622324	ZINC000336541797	ref	7.52	-14.69	0	293.432	2.161	0	2	3	CCc1ccc(CC(=O)N2CC[S@@](=O)CC[C@@H]2C)cc1
365622329	ZINC000336542146	ref	8.79	-38.47	1	250.386	2.285	1	1	3	C[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2C=CCC2)CC1
365622337	ZINC000336542243	ref	4.59	-10.85	0	276.361	2.265	0	3	2	C[C@@H]1CCN(S(=O)(=O)c2cnc3ccccc3c2)C1
342598170	ZINC000590824484	low	6.09	-32.6	1	291.351	1.584	2	3	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C)[nH+]cc1C
342598171	ZINC000590810283	ref	5.1	-40.96	1	250.346	1.023	1	3	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccn(C)n2)C1
197596683	ZINC000290107268	ref	5.31	-7.75	0	293.798	3.409	2	4	7	Cc1c(NCCCCCO)cnn1-c1ccc(Cl)cc1
290623013	ZINC000041550458	ref	1.17	-11.93	0	254.673	1.176	2	3	1	CNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O
290623018	ZINC000257248230	ref	-0.09	-15.92	0	291.373	-0.836	1	4	3	CNC(=O)[C@]1(C)CN(S(=O)(=O)N2CCCC2)CCO1
365622346	ZINC000336542040	ref	5.23	-11.03	0	253.729	2.386	1	2	2	O=C(CO)N1CCCC[C@H]1c1cccc(Cl)c1
365622357	ZINC000336541799	ref	7.57	-18.55	0	293.432	2.161	0	2	3	CCc1ccc(CC(=O)N2CC[S@@](=O)CC[C@H]2C)cc1
342598172	ZINC000590824102	ref	-0.23	-11.44	0	291.311	1.154	2	6	5	COc1ccc(NC(=O)NCc2nccn2C)c(OC)n1
365622362	ZINC000336542549	ref	7.05	-13.05	0	263.337	2.356	0	3	2	COCC(=O)N1CCOc2c1cccc2C(C)(C)C
365622368	ZINC000336542096	ref	5.61	-35.62	1	253.415	2.368	1	3	3	Cc1ncc(CN2CCC[C@@H]([NH+](C)C)CC2)s1
398246328	ZINC000651447608	ref	10.13	-6.99	0	267.376	3.26	0	3	1	Cc1cnc(N2CCc3ccccc3[C@@H](C)C2)nc1C
365622312	ZINC000121833513	ref	7.08	-46.17	1	292.427	2.212	3	2	6	CCc1cc(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[nH]n1
290623010	ZINC000492525901	ref	5.77	-8.32	0	274.364	2.475	1	3	3	Cc1ccc(/C=C/C(=O)NC2C[C@H](C)O[C@H](C)C2)nc1
398246330	ZINC000651445321	ref	8.9	-11.93	0	267.332	3.476	0	4	3	Cc1c(CN(C)c2cccnn2)oc2c(C)cccc12
398246332	ZINC000651452043	ref	6.03	-46.55	1	272.348	3.246	1	3	4	C[C@H]([NH2+][C@H]1CCO[C@H](c2cccnc2)C1)c1ccoc1
342082462	ZINC000625329978	ref	6.41	-40.82	1	251.378	1.121	1	4	6	CCN(Cc1ncnn1C)C[C@@H]1CCC[N@@H+]1CC
290623012	ZINC000492524202	ref	3.76	-10.8	0	290.363	2.036	1	4	5	COc1cncc(/C=C/C(=O)NCC2(C)CCOCC2)c1
342082463	ZINC000625329978	mid	6.14	-41.18	1	251.378	1.121	1	4	6	CCN(Cc1ncnn1C)C[C@@H]1CCC[N@H+]1CC
342082464	ZINC000625332835	ref	6.59	-15.08	0	284.363	1.587	1	4	4	Cc1cncn1CC(=O)N[C@@H]1CCN(c2ccccc2)C1
398246334	ZINC000651452043	high	5.09	-6.08	0	272.348	3.246	1	4	4	C[C@H](N[C@H]1CCO[C@H](c2cccnc2)C1)c1ccoc1
290623014	ZINC000492524456	ref	2.43	-10.57	0	283.327	2.214	3	3	5	O=C(/C=C/c1ccc(O)cc1)NCc1ccccc1CO
365622318	ZINC000121837899	ref	4.67	-7.77	0	267.394	2.053	2	3	7	C[C@@H](CO)NC(=O)[C@@H](C)CSCc1ccccc1
365622325	ZINC000121838460	ref	5.87	-9.63	0	299.729	2.458	0	3	1	O=C(c1ccc(Cl)c(F)c1)N1CCC2(CC1)OCCO2
365622333	ZINC000121837379	ref	8.43	-14.68	0	290.319	2.047	0	4	2	C[C@@H]1CC[C@H](C(=O)N2CCc3ccc([N+](=O)[O-])cc3C2)O1
365622343	ZINC000121836369	ref	5.88	-42.04	1	290.407	2.268	2	2	6	CC[C@@H](CNC(=O)[C@H]1CCC[NH2+]C1)Oc1cccc(C)c1
214189809	ZINC000337634773	high	1.67	-40.63	-1	266.345	0.963	1	3	5	CCN(CC)CC(=O)N=c1cc([C@H]2CCCO2)[n-][nH]1
342082465	ZINC000625332835	mid	7.11	-37.87	1	284.363	1.587	1	3	4	Cc1c[nH+]cn1CC(=O)N[C@@H]1CCN(c2ccccc2)C1
342082466	ZINC000625329829	ref	2.79	-7.8	0	295.383	1.963	0	6	6	CC(C)OC[C@H]1CN(Cc2noc(C3CCC3)n2)CCO1
214189811	ZINC000337635599	ref	-1.02	-19.07	0	297.359	-0.16	3	5	8	COCCn1cc(CNC(=O)NCC(C)(C)C(N)=O)cn1
398246336	ZINC000651452573	ref	9.41	-10.4	0	270.376	3.48	1	1	1	C[C@@H]1Cc2ccccc2N1C(=O)NC1CC2(CCC2)C1
342082467	ZINC000625333544	ref	1.22	-49.88	-1	291.395	1.066	3	3	4	Cc1cccc(O)c1C(=O)N[C@H](C)CN1CC[NH+](C)CC1
365622356	ZINC000121839843	ref	4.28	-34.19	1	289.206	2.103	2	2	4	OCC[NH+]1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
214189813	ZINC000293640728	ref	4.37	-21.25	0	362.361	0.31	1	4	6	CN1CC(=O)N(CC(=O)N(Cc2ccc(C(N)=O)cc2F)C2CC2)C1=O
342082468	ZINC000625333544	mid	0.45	-7.83	0	291.395	1.066	2	4	4	Cc1cccc(O)c1C(=O)N[C@H](C)CN1CCN(C)CC1
214189816	ZINC000293643875	ref	-0.08	-14.72	0	362.386	0.233	4	5	5	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)OCC(=O)N2)C(C)C
349535757	ZINC000621247173	mid	6.84	-47.72	1	293.798	2.226	2	2	4	O=C(NC1CC[NH+](Cc2cncc(Cl)c2)CC1)C1CC1
290623011	ZINC000331723262	ref	10.94	-20.35	0	290.411	3.015	1	4	2	C[C@H]1CC[C@@](C)(C(=O)Nc2nnc3n2CCCC3)C1(C)C
342082469	ZINC000625333544	high	1.22	-49.88	-1	291.395	1.066	1	4	4	Cc1cccc([O-])c1C(=O)N[C@H](C)CN1CCN(C)CC1
282120198	ZINC000449149268	high	4.91	-6.85	0	282.428	2.227	2	3	8	CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)NC2CC2)C1(CC)CC
365622339	ZINC000354680763	ref	2.66	-10.52	0	297.321	1.931	3	2	5	CC[C@@H](CC(F)(F)F)NC(=O)NCC(=O)NC(C)(C)C
342082470	ZINC000625333151	ref	2.57	-10.23	0	266.407	1.368	1	3	10	CCC[C@H](CNS(=O)(=O)N(C)CCC)OCC
282120203	ZINC000449148959	ref	6.73	-42.63	1	260.381	2.223	2	1	5	CCC(CC)NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1
282120207	ZINC000449148875	ref	2.9	-52.69	1	287.285	2.412	1	3	6	CN(CC[NH2+]Cc1cc2cccnc2o1)CC(F)(F)F
365622345	ZINC000354679614	ref	5.49	-45.25	1	291.395	1.047	3	2	8	CCC[N@H+](C)CC(=O)NCCc1cccc(C(=O)NC)c1
282120211	ZINC000449148875	high	1.54	-9.55	0	287.285	2.412	1	4	6	CN(CCNCc1cc2cccnc2o1)CC(F)(F)F
282120215	ZINC000449148958	ref	6.68	-35.0	1	295.471	2.096	2	1	4	CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C
185089973	ZINC000096075978	ref	5.25	-35.65	1	287.407	2.15	1	3	5	COc1ncccc1CN1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
214189820	ZINC000293645789	ref	7.0	-17.47	0	354.357	0.878	2	6	7	CC[C@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](O)c1c(F)cccc1F
214190515	ZINC000053593379	ref	3.72	-11.56	0	338.458	2.135	2	7	8	CNc1nnc(SCC(=O)NCc2ccc(COC)cc2)s1
282120220	ZINC000449148958	mid	8.66	-89.39	2	295.471	2.096	2	1	4	CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C
282120225	ZINC000449148958	high	6.68	-35.0	1	295.471	2.096	1	2	4	CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)[C@@H](CC(C)(C)C)[NH2+]C
282120232	ZINC000449149270	ref	6.04	-37.47	1	282.428	2.227	2	2	8	CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)[NH2+]C2CC2)C1(CC)CC
342082471	ZINC000625329793	ref	1.42	-11.31	0	267.391	1.147	1	4	11	CCC[C@H](CNS(=O)(=O)CCOCC)OCC
342082472	ZINC000625329846	ref	5.77	-22.88	0	299.309	1.597	1	5	3	O=C(CN1CCn2ncnc2C1)c1c[nH]c2ccc(F)cc12
185089975	ZINC000096075978	mid	5.23	-35.32	1	287.407	2.15	1	3	5	COc1ncccc1CN1CC[C@@]2(CC[N@H+]2CC2CC2)C1
214189814	ZINC000337633672	ref	4.11	-41.07	1	280.372	0.807	2	4	6	CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CC[NH2+]CC1
178291903	ZINC000236989657	ref	4.56	-49.01	1	364.465	1.909	4	2	8	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)NC[C@H]1CCC[NH2+]C1
185089977	ZINC000096075978	high	1.83	-4.91	0	287.407	2.15	0	4	5	COc1ncccc1CN1CC[C@@]2(CCN2CC2CC2)C1
219048571	ZINC000286548717	mid	1.2	-6.84	0	320.824	2.916	0	5	4	CCN1CCN(Cc2nnc(-c3ccc(Cl)cc3)o2)[C@@H](C)C1
214189817	ZINC000337633672	high	2.94	-7.48	0	280.372	0.807	2	5	6	CCCC[C@@H](C(=O)Nc1cc(C)on1)N1CCNCC1
214189819	ZINC000337634215	ref	5.24	-20.73	0	290.363	2.177	1	4	6	CC(=O)CCCC(=O)N[C@@H]1CCCO[C@H]1c1ccncc1
178291908	ZINC000236986143	ref	5.13	-51.33	1	358.442	1.347	3	4	5	CCn1c(=O)[nH]c2cc(C(=O)N[C@@H](C[NH3+])C3CCCCC3)ccc2c1=O
178291912	ZINC000236986985	ref	4.36	-9.53	0	367.515	1.848	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1
178291914	ZINC000236986985	high	4.36	-9.53	0	367.515	1.848	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@H](C)NC[C@H]2C)c1
398246338	ZINC000651447743	ref	10.63	-5.69	0	267.376	3.205	0	3	2	CCc1cc(N2CCc3ccccc3[C@H](C)C2)ncn1
214189824	ZINC000337633542	ref	7.19	-8.69	0	289.282	3.232	2	3	3	C[C@@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)c1ccsc1
219048572	ZINC000286549683	ref	4.57	-9.75	0	309.366	0.588	1	5	3	Cc1noc(C)c1CCNC(=O)C(=O)N1CCCO[C@H](C)C1
365622344	ZINC000625031892	ref	6.7	-18.21	0	319.449	2.408	2	2	3	O=C(N[C@@H]1CC[C@@H]2CCC[C@H]2C1)N[C@@H]1CCN(C2CCC2)C1=O
178291916	ZINC000237001169	ref	8.45	-67.18	-1	358.394	1.99	2	5	9	CCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)[O-]
349535758	ZINC000594970328	ref	7.32	-52.07	1	290.363	2.749	2	3	7	C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1(CO)CC1
178291919	ZINC000236997697	ref	4.96	-46.25	1	367.515	1.964	2	3	10	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1
178291923	ZINC000236997067	ref	3.18	-54.29	1	353.488	1.461	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1
178291926	ZINC000236991992	ref	8.14	-57.37	-1	367.203	1.885	0	6	5	CCN(CC(=O)[O-])C(=O)c1nnn(-c2cccc(Br)c2)c1C
214189828	ZINC000337633542	mid	7.11	-7.86	0	289.282	3.232	2	3	3	C[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccsc1
365622349	ZINC000354679614	mid	5.5	-45.16	1	291.395	1.047	3	2	8	CCC[N@@H+](C)CC(=O)NCCc1cccc(C(=O)NC)c1
365622354	ZINC000354679614	high	3.24	-16.11	0	291.395	1.047	2	3	8	CCCN(C)CC(=O)NCCc1cccc(C(=O)NC)c1
398246339	ZINC000645406943	low	6.92	-116.47	2	238.375	1.628	2	1	4	CC1(C)OCC[C@H]1[NH2+][C@H]1CC[N@@H+](CC2CC2)C1
365622359	ZINC000354679643	ref	5.74	-14.85	0	294.355	1.274	0	6	6	CCC[C@@H](C)CC(=O)N1CC(n2cc(C(=O)OC)nn2)C1
365622367	ZINC000354679408	ref	3.55	-47.03	1	275.352	1.192	3	2	5	Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1
342598173	ZINC000590824102	low	0.28	-37.01	1	291.311	1.154	2	5	5	COc1ccc(NC(=O)NCc2[nH+]ccn2C)c(OC)n1
342598174	ZINC000590824772	ref	0.62	-11.48	0	250.302	1.21	3	4	2	Cc1ncc(NC(=O)N[C@@H]2CCC[C@@H](O)C2)cn1
342598175	ZINC000590809446	ref	6.36	-46.01	1	278.4	1.708	3	2	4	CC[N@H+]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1
365622374	ZINC000354681335	ref	7.43	-48.3	1	276.384	1.358	1	3	4	C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCn1cccn1
365622381	ZINC000354681335	mid	7.7	-47.92	1	276.384	1.358	1	3	4	C[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCn1cccn1
349535761	ZINC000621246047	ref	3.31	-9.25	0	269.776	2.081	1	3	4	CN(CC(=O)NC(C)(C)C)Cc1cncc(Cl)c1
197596696	ZINC000162853931	ref	4.12	-11.39	0	304.39	1.263	2	3	4	Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@@H]([C@@H](C)O)C2)c1
365622386	ZINC000354679501	ref	4.7	-7.94	0	277.349	1.85	1	5	4	Cc1cnc([C@H](C)NC(=O)C(=O)c2cccn2C)s1
365622391	ZINC000367178993	ref	5.01	-43.78	1	282.413	1.92	1	5	4	CO[C@@H](C)c1nsc(N2CC[C@H]([NH+]3CCCC3)C2)n1
365622398	ZINC000367178993	high	2.61	-6.92	0	282.413	1.92	0	6	4	CO[C@@H](C)c1nsc(N2CC[C@H](N3CCCC3)C2)n1
342598176	ZINC000590809446	mid	6.39	-46.72	1	278.4	1.708	3	2	4	CC[N@@H+]1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1
342598177	ZINC000590809446	high	3.9	-14.9	0	278.4	1.708	2	3	4	CCN1C[C@@H](NC(=O)N[C@H]2CC[C@@H](CC#N)C2)[C@H](C)C1
290623015	ZINC000100012470	ref	5.1	-10.59	0	259.305	2.318	1	3	1	C[C@H]1CC[C@@H]2C(=O)N(c3ccc(O)cc3)C(=O)[C@@H]2C1
398246341	ZINC000070244219	ref	8.26	-5.49	0	245.322	3.86	0	3	3	Cc1cc(COc2ccc(C(C)(C)C)cc2)no1
190492041	ZINC000269412011	ref	7.34	-12.41	0	264.369	2.136	0	3	6	CC[C@@H](OC)C(=O)N(C)Cc1cccc(N(C)C)c1
365622404	ZINC000354681482	ref	5.91	-15.94	0	284.363	1.818	2	3	5	Cn1ccc(CCNC(=O)N[C@H]2C[C@@H]2c2ccccc2)n1
342598178	ZINC000590824086	ref	2.85	-15.01	0	291.351	1.562	3	3	5	CC(=O)N(C)c1ccc(NC(=O)NC[C@H](O)C2CC2)cc1
349535764	ZINC000594973486	ref	6.28	-46.79	1	278.352	2.605	2	3	8	CC(C)C[C@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]
349535772	ZINC000594972612	ref	6.27	-45.49	1	278.352	2.605	2	3	8	CC(C)C[C@@H](CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]
185089979	ZINC000096075708	ref	3.12	-41.92	1	250.346	0.991	2	4	3	Cn1cc(NC[C@@H]2CO[C@]3(CCC[NH2+]C3)C2)cn1
282120199	ZINC000533444639	mid	5.7	-63.04	0	289.383	1.239	2	2	3	C[N@H+]1CCC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1
299072376	ZINC000357762196	high	3.37	-15.07	0	345.509	1.324	1	4	5	C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1
299072380	ZINC000046967960	ref	6.62	-11.36	0	317.389	2.612	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)c1cc2ccccc2o1)C(=O)N(C)C
210256284	ZINC000004713651	ref	1.85	-12.71	0	329.441	1.552	3	4	7	CC(C)C[C@H](NC(=O)[C@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O
282120204	ZINC000533444639	low	4.63	-45.77	1	289.383	1.239	3	2	3	C[N@@H+]1CCC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1
299072384	ZINC000067582348	ref	4.98	-11.7	0	299.374	3.251	2	3	4	C[C@H](NC(=O)N(C)[C@@H](C)c1cccc(O)c1)c1ccccn1
342082473	ZINC000625329932	ref	4.54	-4.65	0	271.401	1.927	1	3	8	CCO[C@@H](C[N@@H+]1CCO[C@H](COC(C)C)C1)C1CC1
342082474	ZINC000625329932	mid	7.09	-37.24	1	271.401	1.927	1	3	8	CCO[C@@H](C[N@H+]1CCO[C@H](COC(C)C)C1)C1CC1
168365053	ZINC000044679426	high	0.81	-33.44	1	183.299	0.16	2	2	4	C[C@@H](N)C[NH2+][C@@H]1CCN(C2CC2)C1
190492045	ZINC000269407954	ref	6.91	-5.56	0	271.704	2.116	0	5	4	COC[C@H]1CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1
185089986	ZINC000096075819	ref	8.21	-64.35	1	297.402	2.581	1	2	3	CN1C(=O)CCC12CCC([NH2+]Cc1cccc(C#N)c1)CC2
185089988	ZINC000096075209	ref	6.65	-39.85	1	262.353	2.37	1	2	2	CC[N@@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2
168365055	ZINC000044679426	high	0.1	-37.47	1	183.299	0.16	2	2	4	C[C@@H]([NH3+])CN[C@@H]1CCN(C2CC2)C1
342082475	ZINC000625329932	mid	4.54	-4.65	0	271.401	1.927	0	4	8	CCO[C@@H](CN1CCO[C@H](COC(C)C)C1)C1CC1
342082476	ZINC000625329724	ref	6.47	-36.93	1	277.397	1.96	1	5	4	Cc1nc([C@H]2CCC[N@H+]2CCc2cn(C)nn2)cs1
342082477	ZINC000625329724	mid	3.93	-10.42	0	277.397	1.96	1	5	4	Cc1nc([C@H]2CCC[N@@H+]2CCc2cn(C)nn2)cs1
342082478	ZINC000625329724	mid	3.93	-10.42	0	277.397	1.96	0	6	4	Cc1nc([C@H]2CCCN2CCc2cn(C)nn2)cs1
342082479	ZINC000625332963	ref	4.29	-9.81	0	274.364	1.806	1	3	4	COC1CC(C(=O)N[C@@H]2CCN(c3ccccc3)C2)C1
342082480	ZINC000032489344	ref	5.57	-9.73	0	291.395	1.5	0	4	2	C[C@H]1c2cccn2CCN1CC(=O)N1C[C@@H](C)O[C@H](C)C1
342082481	ZINC000032489344	low	7.39	-42.42	1	291.395	1.5	1	3	2	C[C@H]1c2cccn2CC[N@H+]1CC(=O)N1C[C@@H](C)O[C@H](C)C1
398246340	ZINC000651445885	ref	4.54	-10.76	0	291.376	3.369	0	6	3	CC1(C)C[C@@H](c2noc(/C=C\c3cscn3)n2)CCO1
365622352	ZINC000625030939	ref	5.8	-10.7	0	313.357	2.301	1	5	4	CCc1ncncc1C(=O)N[C@H]1CCOc2c(OC)cccc21
365622363	ZINC000625031024	ref	5.82	-13.48	0	315.41	2.103	1	3	9	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NCCC1CC1
342082482	ZINC000032489344	low	7.62	-42.38	1	291.395	1.5	1	3	2	C[C@H]1c2cccn2CC[N@@H+]1CC(=O)N1C[C@@H](C)O[C@H](C)C1
398246342	ZINC000651447775	ref	9.49	-4.98	0	256.324	3.387	0	2	1	C[C@@H]1CN(c2ccc(F)cn2)CCc2ccccc21
214189823	ZINC000293636381	ref	6.66	-17.56	0	361.402	0.902	2	7	7	COc1ccccc1OC[C@H](C)CNC(=O)C(=O)Nc1nc(C)n(C)n1
214189826	ZINC000293641791	ref	3.12	-13.0	0	350.419	0.764	2	6	5	COCCCn1ccc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)n1
214189829	ZINC000293648816	ref	3.04	-12.74	0	358.391	0.82	1	5	3	COC(=O)c1cc(S(=O)(=O)N2CCNC(=O)C2(C)C)c(F)cc1C
398246344	ZINC000651447847	ref	10.37	-8.29	0	292.382	3.377	0	3	1	C[C@@H]1CN(c2ccc3c(n2)CCC3=O)CCc2ccccc21
342082483	ZINC000625329723	ref	3.47	-7.05	0	292.445	1.758	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCC(C)CC1)OCC
210256288	ZINC000004713379	ref	10.43	-4.26	0	340.264	5.584	1	1	1	Cc1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Br)cc1)N2
210256298	ZINC000004714247	ref	9.39	-12.65	0	337.202	4.907	0	3	5	COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2Cl)cc1OC
342082484	ZINC000625329858	ref	1.62	-16.38	0	290.41	1.379	1	5	6	O=S(=O)(CCC1CCOCC1)NCc1ccns1
342082485	ZINC000625332823	ref	2.74	-12.59	0	297.302	1.316	1	4	6	O=S(=O)(CC1CC1)NC[C@@H](n1cccn1)C(F)(F)F
342082486	ZINC000625332823	high	2.42	-41.07	-1	297.302	1.316	0	4	6	O=S(=O)(CC1CC1)[N-]C[C@@H](n1cccn1)C(F)(F)F
214189832	ZINC000293644655	ref	6.72	-11.8	0	354.382	0.936	1	6	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccnn2C(C)(C)C)C1
342082487	ZINC000625329933	ref	5.48	-4.43	0	271.401	1.927	1	3	8	CCO[C@H](C[N@@H+]1CCO[C@@H](COC(C)C)C1)C1CC1
342082488	ZINC000625329933	mid	7.0	-37.23	1	271.401	1.927	1	3	8	CCO[C@H](C[N@H+]1CCO[C@@H](COC(C)C)C1)C1CC1
136228546	ZINC000283277743	ref	5.86	-12.17	0	229.279	1.824	1	2	3	CC#CC(=O)NC1(c2cccc(OC)c2)CC1
342082489	ZINC000625329933	mid	5.48	-4.43	0	271.401	1.927	0	4	8	CCO[C@H](CN1CCO[C@@H](COC(C)C)C1)C1CC1
365622358	ZINC000617371313	ref	3.57	-16.2	0	294.351	0.557	1	5	5	COC[C@H](NC(=O)c1cccn(C)c1=O)C1CCOCC1
178291930	ZINC000236989924	ref	4.7	-59.96	1	367.515	1.503	2	3	10	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@@H]([NH3+])C2CC2)cc1
178291934	ZINC000236992675	ref	6.26	-118.81	2	374.529	1.844	3	2	8	CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1)C(C)C
365622365	ZINC000617373396	ref	0.98	-7.73	0	271.342	0.709	1	6	5	COC[C@H](NC(=O)c1csnn1)C1CCOCC1
365622376	ZINC000617371941	ref	0.0	-7.58	0	295.339	0.657	1	6	6	COC[C@H](NC(=O)c1ccc(OC)nn1)C1CCOCC1
282120205	ZINC000248953356	ref	1.55	-11.72	0	312.797	1.75	2	4	5	C[C@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](CO)O1
178291938	ZINC000236992675	mid	5.87	-117.25	2	374.529	1.844	3	2	8	CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1)C(C)C
365622382	ZINC000617372573	ref	2.83	-8.84	0	281.356	0.9	1	5	5	COC[C@H](NC(=O)c1cc(C)nn1C)C1CCOCC1
178291941	ZINC000236992717	ref	3.09	-55.63	1	373.544	1.565	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@H]2CC[C@@H]([NH3+])C2)s1
178291943	ZINC000236985588	ref	5.71	-53.71	1	367.515	1.85	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N(C)C2CC[NH2+]CC2)c1
178291948	ZINC000237001016	ref	4.84	-55.11	1	367.515	1.692	2	3	7	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1
365622389	ZINC000617371306	ref	2.29	-7.28	0	259.346	0.971	1	4	8	CCOCCC(=O)N[C@H](COC)C1CCOCC1
365622397	ZINC000617372909	ref	4.22	-35.55	1	272.389	0.884	2	3	7	COC[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCOCC1
365622401	ZINC000617372909	mid	4.23	-35.6	1	272.389	0.884	2	3	7	COC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1CCOCC1
365622405	ZINC000617372909	high	2.01	-7.53	0	272.389	0.884	1	4	7	COC[C@H](NC(=O)CN(C)C(C)C)C1CCOCC1
398246343	ZINC000191995329	ref	2.22	-11.03	0	244.341	1.014	0	4	3	C#CCN(C)S(=O)(=O)c1sc(C)nc1C
365622412	ZINC000617371453	ref	0.1	-8.06	0	280.328	0.23	2	6	5	COC[C@@H](NC(=O)c1nccnc1N)C1CCOCC1
365622419	ZINC000617372897	ref	1.58	-9.22	0	284.356	0.07	2	4	7	COC[C@H](NC(=O)CNC(=O)C1CC1)C1CCOCC1
365622425	ZINC000617371452	ref	0.19	-8.12	0	280.328	0.23	2	6	5	COC[C@H](NC(=O)c1nccnc1N)C1CCOCC1
365622434	ZINC000617371783	ref	3.08	-13.16	0	281.356	0.52	1	5	6	COC[C@H](NC(=O)Cc1cnn(C)c1)C1CCOCC1
365622440	ZINC000617373044	ref	3.34	-14.64	0	281.356	0.749	1	5	6	COC[C@@H](NC(=O)Cn1cc(C)cn1)C1CCOCC1
398246345	ZINC000095101164	ref	3.72	-37.71	-1	208.547	2.022	1	3	1	O=C([O-])c1cc(F)c(Cl)c(F)c1O
214189830	ZINC000337634477	ref	9.54	-40.91	1	297.398	3.441	1	2	5	COc1ccc(C[N@H+](C)C[C@@H]2OCCc3ccccc32)cc1
214189833	ZINC000337634477	mid	9.53	-40.9	1	297.398	3.441	1	2	5	COc1ccc(C[N@@H+](C)C[C@@H]2OCCc3ccccc32)cc1
349535765	ZINC000618816090	ref	4.63	-20.76	0	298.346	1.075	2	3	2	CN1CC[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1=O
349535771	ZINC000618815819	ref	5.14	-12.01	0	290.371	1.118	0	6	3	CN(Cc1cn(C)nn1)C(=O)c1cc(C(C)(C)C)nn1C
342598179	ZINC000590823992	ref	4.89	-19.04	0	265.357	1.239	2	2	2	O=C1NCCCC[C@H]1NC(=O)N1CCC[C@@H]1C1CC1
349535775	ZINC000618814393	ref	4.4	-26.21	0	278.337	1.351	0	6	4	CC(=O)c1ccc(C(=O)N(C)Cc2cn(C)nn2)s1
342598180	ZINC000590809562	ref	5.25	-12.69	0	290.367	1.152	2	2	4	CC(C)CN1C[C@H](C(=O)N=c2cc(C3CC3)[nH][nH]2)CC1=O
398246346	ZINC000651448067	ref	8.99	-6.59	0	267.376	3.26	0	3	1	Cc1cc(N2CCc3ccccc3[C@@H](C)C2)nc(C)n1
349535782	ZINC000618814573	ref	6.18	-22.52	0	284.323	1.043	0	6	3	Cc1cnc2cc(C(=O)N(C)Cc3cn(C)nn3)ccn12
398246348	ZINC000651448067	mid	9.39	-30.0	1	267.376	3.26	0	2	1	Cc1cc(N2CCc3ccccc3[C@@H](C)C2)nc(C)[nH+]1
349535786	ZINC000618814573	low	6.68	-44.22	1	284.323	1.043	0	5	3	Cc1c[nH+]c2cc(C(=O)N(C)Cc3cn(C)nn3)ccn12
290623016	ZINC000492524620	ref	2.33	-15.18	0	257.293	2.384	3	3	3	Cc1n[nH]c(C)c1NC(=O)/C=C\c1cccc(O)c1
342598181	ZINC000590824486	ref	7.66	-46.05	1	296.39	1.9	2	2	6	N#C[C@]1(F)CCN(C(=O)NCCCCC[NH+]2CCCC2)C1
342598182	ZINC000590809944	ref	6.18	-39.57	1	290.411	1.891	2	2	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1
214189835	ZINC000337634477	high	7.16	-6.0	0	297.398	3.441	0	3	5	COc1ccc(CN(C)C[C@@H]2OCCc3ccccc32)cc1
342598183	ZINC000590824773	ref	0.34	-13.79	0	250.302	1.21	3	4	2	Cc1ncc(NC(=O)N[C@H]2CCC[C@H](O)C2)cn1
342598184	ZINC000616989018	ref	5.66	-41.51	1	261.369	1.932	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccncc2)C1
197596717	ZINC000162852033	ref	3.89	-45.8	1	305.378	1.478	2	3	5	COc1cc(C(=O)N(C)C)ccc1NC(=O)C[C@H]1CCC[NH2+]1
210256306	ZINC000004710078	ref	9.02	-13.25	0	349.434	3.028	1	3	6	Cc1ccc(CNC(=O)CCN2N=C(c3ccccc3)CCC2=O)cc1
342598185	ZINC000616989018	mid	5.71	-41.88	1	261.369	1.932	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccncc2)C1
342598186	ZINC000590810224	ref	3.99	-42.41	1	283.416	1.136	2	2	5	CC(=O)N[C@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)C(C)C
365622360	ZINC000576536664	ref	2.94	-7.99	0	220.232	0.157	0	6	2	CO[C@@H]1CN(c2cc(C#N)ncn2)CCO1
342082490	ZINC000608879714	ref	1.45	-15.8	0	295.364	1.065	2	4	5	CCC[C@@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1C
185089990	ZINC000096075209	mid	6.65	-39.57	1	262.353	2.37	1	2	2	CC[N@H+]1CCCC12CCN(C(=O)c1ccoc1)CC2
185089992	ZINC000096076903	ref	5.14	-36.74	1	289.379	1.184	1	3	4	C=CCN1CCN(C)C(=O)[C@@]12CC[N@H+](Cc1ccco1)C2
185089993	ZINC000096076903	mid	5.18	-38.43	1	289.379	1.184	1	3	4	C=CCN1CCN(C)C(=O)[C@@]12CC[N@@H+](Cc1ccco1)C2
342082491	ZINC000625332891	ref	6.21	-31.46	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)c1nnc(C)[nH]1
342082492	ZINC000625332891	mid	5.12	-33.03	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)c1nnc(C)[nH]1
342082493	ZINC000625332891	mid	6.21	-31.46	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)c1n[nH]c(C)n1
365622366	ZINC000576535028	ref	2.63	-14.23	0	234.263	0.469	3	4	4	C[C@H](NC(=O)NCC1(C#N)CC1)c1nc[nH]n1
365622372	ZINC000576535028	mid	3.12	-15.43	0	234.263	0.469	3	4	4	C[C@H](NC(=O)NCC1(C#N)CC1)c1nnc[nH]1
214189834	ZINC000293637110	ref	8.69	-14.5	0	373.413	0.839	1	7	4	Cn1cnc(NC(=O)C(=O)N2C[C@H](COc3ccccc3)OC(C)(C)C2)n1
214189839	ZINC000293641305	ref	1.7	-20.4	0	352.439	0.295	2	7	5	COCCn1nnc2c1CCN([C@H](C)C(=O)NC(=O)NC(C)(C)C)C2
365622379	ZINC000343699835	ref	3.53	-8.48	0	248.355	2.346	1	5	5	CCc1nnc(CN[C@H](C)c2ccncc2)s1
365622384	ZINC000343699835	low	4.67	-48.96	1	248.355	2.346	1	4	5	CCc1nnc(C[NH2+][C@H](C)c2ccncc2)s1
365622393	ZINC000175898832	ref	4.07	-12.1	0	237.209	1.51	1	3	2	CNC(=O)c1ccn(-c2c(F)cccc2F)n1
185089995	ZINC000096076903	high	2.65	-11.35	0	289.379	1.184	0	4	4	C=CCN1CCN(C)C(=O)[C@@]12CCN(Cc1ccco1)C2
185089996	ZINC000096076150	ref	8.52	-14.79	0	295.346	1.367	0	5	2	O=C(c1ccccn1)N1CC[C@@]2(CCN2c2ncccn2)C1
365638795	ZINC000625086103	mid	9.87	-96.24	2	323.403	2.061	2	1	7	CCCN(CC(F)(F)F)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1
365638798	ZINC000625083765	ref	8.03	-11.08	0	322.453	2.443	0	6	7	CC[C@@H](C)c1nnc(N(C)CC2(C)COC2)n1C[C@H]1CCCO1
214189842	ZINC000293639683	ref	4.13	-18.02	0	368.459	0.991	2	6	5	COCc1cnc(NC(=O)C(=O)N2CCCNC(=O)[C@@H]2CC(C)C)s1
349535976	ZINC000258985062	ref	7.52	-6.95	0	210.24	2.4	1	4	2	Cc1cccc(Nc2cc(C#N)ncn2)c1
365638802	ZINC000625087943	ref	9.15	-12.93	0	316.405	2.358	1	5	7	CCO[C@H](C(=O)N[C@H](c1nnc2ccccn12)C(C)C)C1CC1
214189837	ZINC000337636616	ref	3.05	-21.76	0	288.319	2.343	2	2	4	C[S@@](=O)c1ccc(NC(=O)NC2(C(F)F)CC2)cc1
365622361	ZINC000274314470	ref	3.73	-11.01	0	278.308	1.555	2	5	5	CCOC(=O)CNc1cc2c(cc1OC)CCC(=O)N2
349535766	ZINC000621246047	low	5.65	-46.6	1	269.776	2.081	2	2	4	C[N@H+](CC(=O)NC(C)(C)C)Cc1cncc(Cl)c1
306234502	ZINC000557848554	ref	6.0	-17.54	0	325.376	1.432	2	6	4	C[C@@H](NC(=O)NCc1cnn2ccccc12)c1nnc2n1CCC2
365622369	ZINC000274314708	ref	2.8	-10.38	0	277.292	1.531	1	3	5	CCC(=O)CNS(=O)(=O)c1cc(C)c(F)cc1F
342082494	ZINC000625332891	mid	5.12	-33.03	1	265.405	1.98	2	3	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)c1n[nH]c(C)n1
197596716	ZINC000290107487	ref	6.36	-16.83	0	294.742	2.508	1	5	4	CC(C)Oc1ccc(NC(=O)c2ncn(C)n2)cc1Cl
365622375	ZINC000274314708	high	2.71	-44.01	-1	277.292	1.531	0	3	5	CCC(=O)C[N-]S(=O)(=O)c1cc(C)c(F)cc1F
365622388	ZINC000274315964	ref	2.55	-4.39	0	271.748	1.415	1	5	3	Cc1nc(Cl)cc(N2CCOC[C@H]2C[C@H](C)O)n1
282120208	ZINC000533444639	low	5.07	-45.16	1	289.383	1.239	3	2	3	C[N@H+]1CCC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[nH]2)C1
365622395	ZINC000274318608	ref	3.48	-10.79	0	278.308	1.553	2	5	4	COC(=O)[C@@H](C)Nc1cc2c(cc1OC)CCC(=O)N2
365622400	ZINC000274317896	ref	4.24	-35.77	1	289.423	1.621	2	2	6	CNC(=O)C[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C
365622406	ZINC000274317896	low	6.99	-102.2	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C
365622413	ZINC000274317896	low	6.95	-103.54	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C
365622418	ZINC000274318602	ref	6.47	-14.96	0	280.353	1.51	1	5	5	Cn1c(NS(=O)(=O)CCC2CC2)nc2cccnc21
398246347	ZINC000191996099	ref	4.08	-11.74	0	248.307	1.12	0	3	3	C#CCN(C)S(=O)(=O)c1cccc(C)c1C#N
365622424	ZINC000274318602	high	6.44	-50.02	-1	280.353	1.51	0	5	5	Cn1c([N-]S(=O)(=O)CCC2CC2)nc2cccnc21
398246351	ZINC000004768427	ref	3.69	-11.61	0	214.294	0.825	1	5	4	CC(C)n1cnnc1S[C@@H](C)C(N)=O
365622428	ZINC000274315965	ref	0.97	-5.59	0	271.748	1.415	1	5	3	Cc1nc(Cl)cc(N2CCOC[C@@H]2C[C@H](C)O)n1
398246354	ZINC000645407192	ref	6.79	-5.28	0	246.354	2.928	0	3	1	Cc1ccnc(N2C[C@H](C)OC3(CCCC3)C2)c1
342082495	ZINC000625329753	ref	2.31	-12.61	0	281.418	1.393	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@H](C)COC)OCC
342082496	ZINC000625329589	ref	7.9	-36.54	1	251.378	1.084	1	4	7	CCN(CCn1cncn1)C[C@@H]1CCC[N@@H+]1CC
342082497	ZINC000625329589	mid	7.71	-32.56	1	251.378	1.084	1	4	7	CCN(CCn1cncn1)C[C@@H]1CCC[N@H+]1CC
219048575	ZINC000097694791	ref	7.64	-13.5	0	335.835	2.747	1	3	3	CN1C[C@H](C(=O)Nc2ccc(N3CCCCC3)c(Cl)c2)CC1=O
398246349	ZINC000651448496	ref	9.25	-6.68	0	292.386	3.135	0	4	1	C[C@@H]1CN(c2ccnc3c2cnn3C)CCc2ccccc21
214189840	ZINC000337633771	ref	6.38	-16.8	0	298.342	2.173	1	3	3	CN(C[C@H]1OCCc2ccccc21)C(=O)c1ccc(=O)[nH]c1
282120209	ZINC000151563386	ref	5.09	-15.95	0	318.377	2.016	2	4	2	CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1
365622364	ZINC000121839843	mid	1.97	-3.64	0	289.206	2.103	1	3	4	OCCN1CCN(Cc2cc(Cl)cc(Cl)c2)CC1
398246350	ZINC000651447709	ref	9.5	-4.03	0	273.767	3.296	0	3	1	C[C@@H]1CN(c2ncncc2Cl)CCc2ccccc21
398246352	ZINC000651452243	ref	8.11	-7.76	0	250.386	3.293	1	1	2	CN(C(=O)NC1CC2(CCC2)C1)C1CCCCC1
219048578	ZINC000097696164	ref	-3.24	-20.41	0	342.421	-1.292	2	7	5	CS(=O)(=O)CCN1CCN(c2ncccc2C(N)=O)C[C@H](O)C1
219048580	ZINC000097696164	low	-0.72	-46.36	1	342.421	-1.292	3	6	5	CS(=O)(=O)CC[N@@H+]1CCN(c2ncccc2C(N)=O)C[C@H](O)C1
398246353	ZINC000651448795	ref	3.95	-8.26	0	290.367	3.085	1	5	4	CCCc1cc(-c2nc([C@@H]3CCOC(C)(C)C3)no2)n[nH]1
219048582	ZINC000097696164	low	0.14	-44.35	1	342.421	-1.292	3	6	5	CS(=O)(=O)CC[N@H+]1CCN(c2ncccc2C(N)=O)C[C@H](O)C1
365622370	ZINC000121838833	ref	1.97	-5.36	0	262.275	2.215	1	3	5	CC(C)N(Cc1cccnc1)C[C@H](O)C(F)(F)F
365622378	ZINC000121838833	mid	4.21	-43.08	1	262.275	2.215	2	2	5	CC(C)[N@@H+](Cc1cccnc1)C[C@H](O)C(F)(F)F
365622383	ZINC000121838833	mid	3.83	-42.11	1	262.275	2.215	2	2	5	CC(C)[N@H+](Cc1cccnc1)C[C@H](O)C(F)(F)F
365622392	ZINC000121836701	ref	4.46	-42.54	1	278.396	2.252	2	2	7	CC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)C)Oc1cccc(C)c1
365622399	ZINC000121836701	high	4.18	-6.28	0	278.396	2.252	2	3	7	CC[C@@H](CNC(=O)[C@@H](N)C(C)C)Oc1cccc(C)c1
365622407	ZINC000121839008	ref	2.31	-5.19	0	262.275	2.215	1	3	5	CC(C)N(Cc1cccnc1)C[C@@H](O)C(F)(F)F
365622411	ZINC000121839008	mid	3.97	-43.07	1	262.275	2.215	2	2	5	CC(C)[N@@H+](Cc1cccnc1)C[C@@H](O)C(F)(F)F
365622414	ZINC000121839008	mid	4.02	-42.11	1	262.275	2.215	2	2	5	CC(C)[N@H+](Cc1cccnc1)C[C@@H](O)C(F)(F)F
398246355	ZINC000651452438	ref	7.99	-6.32	0	250.386	3.293	1	1	2	CC[C@H]1CCCCN1C(=O)NC1CC2(CCC2)C1
290623017	ZINC000492524929	ref	7.67	-14.84	0	294.358	2.281	0	4	2	Cc1ccc(/C=C\C(=O)N2CCN(C)c3ncccc32)nc1
365622420	ZINC000121837719	ref	6.2	-10.96	0	276.38	2.132	2	2	7	CCCN(CCO)C(=O)NCC1(c2ccccc2)CC1
214189841	ZINC000053602017	ref	3.62	-17.48	0	348.38	2.069	2	6	4	CS(=O)(=O)c1ccc(N[C@@H]2c3ccccc3C[C@@H]2O)c([N+](=O)[O-])c1
214189845	ZINC000053604622	ref	5.54	-6.58	0	328.416	2.416	0	6	6	CN(Cc1noc(C2CC2)n1)Cc1ccccc1N1CCOCC1
214189849	ZINC000053608120	ref	4.35	-11.35	0	339.342	3.189	0	6	8	COc1ccc(CN(C)Cc2noc(C3CC3)n2)cc1OC(F)F
398246356	ZINC000645407192	mid	7.08	-29.83	1	246.354	2.928	0	2	1	Cc1cc[nH+]c(N2C[C@H](C)OC3(CCCC3)C2)c1
214189855	ZINC000053602317	ref	2.77	-18.83	0	344.44	1.573	1	5	4	CC(=O)N1CCN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)CC1
214189859	ZINC000053606644	ref	4.7	-8.23	0	327.306	3.478	0	5	6	CN(Cc1noc(C2CC2)n1)Cc1ccccc1OC(F)(F)F
214189861	ZINC000053597653	ref	10.33	-17.38	0	347.484	3.058	0	5	4	CCc1cc2c(=O)n(CC(=O)N(C)[C@H]3CCCC[C@H]3C)cnc2s1
214189864	ZINC000053602182	ref	2.49	-11.99	0	331.441	2.518	1	5	4	C[C@H]1CN(Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@@H](C)O1
214189867	ZINC000053602182	low	5.3	-43.45	1	331.441	2.518	2	4	4	C[C@H]1C[N@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@@H](C)O1
214189869	ZINC000053602182	low	4.97	-43.15	1	331.441	2.518	2	4	4	C[C@H]1C[N@@H+](Cc2csc(-c3ccc(C(N)=O)cc3)n2)C[C@@H](C)O1
214189872	ZINC000053599005	ref	8.65	-13.23	0	333.391	3.724	1	4	6	COc1ccccc1CCC(=O)Nc1cnc(-c2ccccc2)nc1
342598187	ZINC000616988963	ref	1.58	-8.16	0	290.146	1.761	2	3	3	O=C(NCc1cc(Cl)cc(Cl)c1)[C@]1(O)CCOC1
282120210	ZINC000533444639	high	3.32	-47.86	-1	289.383	1.239	1	3	3	CN1CCC[C@@H](CNC(=O)N=c2ccc(C3CC3)n[n-]2)C1
361822857	ZINC000629300040	ref	4.47	-45.85	-1	293.291	1.367	0	4	4	Cc1ccc(S(=O)(=O)N(C)[C@H](C)C(=O)[O-])c(F)c1F
342598188	ZINC000590824414	ref	6.09	-22.45	0	266.304	1.952	1	3	1	Cc1cc(NC(=O)N2CC(C#N)C2)c2ccccc2n1
342600593	ZINC000616999549	ref	6.09	-37.45	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nc(C)n1
398246358	ZINC000285140930	ref	4.93	-6.49	0	224.304	2.547	0	4	8	C=C(C)CCc1noc(CCCOCC)n1
342600594	ZINC000616999549	mid	6.03	-37.24	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc(C)n1
343994363	ZINC000139400794	ref	2.32	-8.67	0	170.171	1.812	1	3	0	N#Cc1cccc2ncc(O)cc12
365622371	ZINC000625030625	ref	5.51	-17.07	0	305.321	2.391	1	4	10	CC(C)COC[C@@H](NC(=O)COCC(F)F)c1ccco1
185090004	ZINC000096076151	ref	8.11	-14.4	0	260.341	1.458	0	4	3	CCCC(=O)N1CC[C@]2(CCN2c2ncccn2)C1
342082498	ZINC000625332388	ref	4.06	-11.48	0	291.413	1.244	0	4	7	COCCC1CCN(S(=O)(=O)C2(COC)CC2)CC1
398246357	ZINC000651445247	ref	4.69	-9.48	0	285.347	3.308	0	5	3	CC1(C)C[C@H](c2noc(/C=C\c3cccnc3)n2)CCO1
398246359	ZINC000651448618	ref	8.03	-6.9	0	259.378	3.013	0	4	1	Cc1nnc(N2CCc3ccccc3[C@H](C)C2)s1
365622373	ZINC000336542096	low	7.8	-100.29	2	253.415	2.368	2	2	3	Cc1ncc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)s1
398246361	ZINC000651448510	ref	5.4	-6.9	0	271.364	3.359	0	4	2	CC(C)c1nnc(N2CCc3ccccc3[C@H](C)C2)o1
365622377	ZINC000336542096	low	7.67	-100.12	2	253.415	2.368	2	2	3	Cc1ncc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)s1
342082499	ZINC000157767379	ref	7.68	-10.13	0	283.368	1.746	0	4	3	COC(=O)[C@@H]1CN(C(=O)CC2CCCCC2)C[C@@H](C)O1
342082500	ZINC000625329718	ref	1.77	-13.17	0	279.402	1.288	1	4	8	CCC[C@H](CNS(=O)(=O)[C@H]1CCO[C@H]1C)OCC
282120212	ZINC000533440182	ref	4.51	-13.7	0	275.356	1.593	1	5	6	CCc1cc(=O)[nH]c(CN(C)Cc2cnn(CC)c2)n1
365622387	ZINC000336541853	ref	6.89	-21.99	0	294.42	2.046	0	3	2	CC(C)c1cccc(C(=O)N2CC[S@](=O)C[C@@H](C)C2)n1
282120217	ZINC000533440182	high	3.41	-45.21	-1	275.356	1.593	0	5	6	CCc1cc(=O)[n-]c(CN(C)Cc2cnn(CC)c2)n1
365622394	ZINC000336542296	ref	4.49	-15.86	0	289.36	2.285	2	4	1	O=C(Nc1nc2ccccc2s1)N1C[C@H](O)C2(CC2)C1
342082501	ZINC000625332855	ref	4.71	-34.18	1	256.39	1.208	1	3	6	CCN(C[C@H]1COCCO1)C[C@@H]1CCC[N@@H+]1CC
342082502	ZINC000625332855	mid	4.35	-31.74	1	256.39	1.208	1	3	6	CCN(C[C@H]1COCCO1)C[C@@H]1CCC[N@H+]1CC
342082503	ZINC000625332855	mid	4.71	-34.18	1	256.39	1.208	1	3	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@H]1COCCO1
342082504	ZINC000625332855	mid	4.35	-31.74	1	256.39	1.208	1	3	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H]1COCCO1
342082505	ZINC000625329514	ref	7.42	-40.72	1	250.39	1.726	1	3	6	CCN(Cc1cncn1C)C[C@@H]1CCC[N@@H+]1CC
365622402	ZINC000336542567	ref	8.3	-7.45	0	261.369	2.451	0	4	3	CC(C)[C@H]1CCCN(c2nccn(C3CC3)c2=O)C1
365622408	ZINC000336542082	ref	5.89	-9.13	0	266.385	2.387	1	2	2	C[C@H]1CC2(CCC2)CN1C(=O)NC[C@]1(C)CCOC1
342082506	ZINC000625329514	mid	7.33	-35.31	1	250.39	1.726	1	3	6	CCN(Cc1cncn1C)C[C@@H]1CCC[N@H+]1CC
342082507	ZINC000625329514	low	7.93	-80.37	2	250.39	1.726	1	2	6	CCN(Cc1c[nH+]cn1C)C[C@@H]1CCC[N@@H+]1CC
214189847	ZINC000337636695	ref	8.18	-10.94	0	273.348	3.065	0	2	5	CCN(Cc1c(F)cccc1F)C(=O)[C@@H](C)SC
365622415	ZINC000336542364	ref	3.64	-7.93	0	288.269	2.483	2	2	2	CC[C@]1(O)CCN(C(=O)Nc2ccc(F)c(F)c2F)C1
365622380	ZINC000625030626	ref	5.51	-17.1	0	305.321	2.391	1	4	10	CC(C)COC[C@H](NC(=O)COCC(F)F)c1ccco1
365622385	ZINC000625027905	ref	7.59	-12.01	0	318.425	2.187	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1C[C@H](C)[C@@H](C)C1
214189844	ZINC000293635927	ref	2.38	-15.14	0	364.427	0.73	1	6	4	C[C@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)Cc2ccccc2O1
290623019	ZINC000492524190	ref	6.29	-54.53	-1	282.365	2.224	1	5	7	CCCC[C@@H](NC(=O)/C=C\c1cnc(C)s1)C(=O)[O-]
185090005	ZINC000096075896	ref	4.81	-12.26	0	288.351	0.725	0	4	2	Cc1cnc(C(=O)N2CC[C@@]3(C[C@@H]3C(=O)N(C)C)C2)cn1
290623022	ZINC000492524189	ref	2.17	-14.76	0	261.306	2.204	2	5	3	Cc1nc(NC(=O)/C=C/c2cncc(O)c2)cs1
365622390	ZINC000625028210	ref	4.47	-14.66	0	322.405	2.024	2	4	8	CC(C)COC[C@H](NC(=O)[C@@H](C)[C@H]1CCC(=O)N1)c1ccco1
342598189	ZINC000590826184	ref	3.14	-12.49	0	264.329	1.9	2	4	6	CO[C@H](C)CCNC(=O)Nc1cnc(C2CC2)nc1
365622396	ZINC000625028409	ref	5.35	-12.09	0	313.394	2.47	0	3	3	CC1(C)C[C@H](S(=O)(=O)N2CC[C@@H]2c2cccc(F)c2)CO1
365622403	ZINC000625031439	ref	4.39	-8.03	0	310.419	2.145	0	4	4	CC(C)Oc1cncc(S(=O)(=O)N2C[C@H]3[C@@H](C2)C3(C)C)c1
282120213	ZINC000248953356	mid	3.38	-52.07	1	312.797	1.75	3	3	5	C[C@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](CO)O1
282120216	ZINC000248953356	mid	3.82	-49.61	1	312.797	1.75	3	3	5	C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](CO)O1
197596724	ZINC000162858786	ref	5.63	-45.69	1	304.434	2.786	2	2	6	CC[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)Oc1cccc(C)c1
342598190	ZINC000590827498	ref	4.38	-17.87	0	286.339	1.761	2	5	5	C[C@H](Cn1cccn1)NC(=O)Nc1cnc(C2CC2)nc1
342598191	ZINC000590825458	ref	3.92	-44.58	1	298.35	1.534	1	4	2	Cc1ncc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cn1
342598192	ZINC000590825458	high	3.45	-13.58	0	298.35	1.534	1	5	2	Cc1ncc(NC(=O)N2CCN(c3ccncc3)CC2)cn1
282120221	ZINC000248951165	ref	1.35	-15.18	0	320.389	1.299	2	5	6	CC(=O)c1ccc(NC(=O)CCN2C[C@H](C)O[C@H](CO)C2)cc1
282120226	ZINC000248951165	low	3.28	-55.98	1	320.389	1.299	3	4	6	CC(=O)c1ccc(NC(=O)CC[N@H+]2C[C@H](C)O[C@H](CO)C2)cc1
282123566	ZINC000533474099	ref	3.2	-11.31	0	292.335	1.101	1	5	3	COC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)O)C2)cn1
365622410	ZINC000625029305	ref	7.35	-18.88	0	313.401	2.426	1	2	2	C[C@@H]1c2ccccc2CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
133427878	ZINC000306440038	ref	0.05	-7.56	0	168.24	0.744	1	3	2	CN(C1CC(O)C1)C(C)(C)C#N
365622409	ZINC000354680871	ref	4.93	-8.75	0	257.293	1.805	1	4	5	CCOc1ccccc1CNC(=O)c1cncnc1
214189848	ZINC000293640949	ref	1.06	-20.95	0	361.42	0.4	1	5	4	CNS(=O)(=O)C1CCN(S(=O)(=O)c2ccc(C#N)c(F)c2)CC1
365622417	ZINC000354679453	ref	3.69	-10.42	0	296.342	1.278	1	3	7	CC[C@@H](C(=O)N(C)[C@@H](COC)C(N)=O)c1ccc(F)cc1
365622422	ZINC000354680367	ref	5.82	-9.83	0	285.384	1.899	1	4	7	CC[C@@H](C)CCC(=O)NCC1(C(=O)OC)CCOCC1
365622427	ZINC000354679333	ref	5.88	-41.21	1	279.38	1.769	2	3	8	COC(=O)C(C)(C)CC[NH2+][C@H](CO)Cc1ccccc1
365622436	ZINC000354679336	ref	5.88	-41.2	1	279.38	1.769	2	3	8	COC(=O)C(C)(C)CC[NH2+][C@@H](CO)Cc1ccccc1
365622442	ZINC000354679737	ref	3.73	-10.49	0	261.362	1.047	1	4	10	CCCC(=O)N(C)C[C@H](O)COCCOC(C)C
178291951	ZINC000236987901	ref	4.44	-59.83	1	367.515	1.883	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1
178291955	ZINC000237000954	ref	4.25	-55.63	1	353.488	1.589	2	3	7	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1
178291960	ZINC000236996022	ref	4.18	-54.28	1	353.488	1.333	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2CC[NH2+]CC2)cc1
178291963	ZINC000236997463	ref	4.88	-62.94	1	367.515	1.964	2	3	10	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1
178291966	ZINC000236989444	ref	7.32	-49.27	1	360.502	1.845	2	3	5	CCn1c(C)cc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C
178291970	ZINC000236990319	ref	7.34	-104.58	2	364.471	1.19	3	5	6	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C[C@H]3CSCC[NH2+]3)cc21
398246360	ZINC000070244229	ref	1.74	-12.56	0	236.271	0.284	2	3	5	Cc1ccc(C)c(OCC(=O)NCC(N)=O)c1
398246362	ZINC000285159077	ref	0.98	-15.61	0	201.251	0.493	2	5	3	CC(C)[C@@H](O)C(=O)Nc1nncs1
214189851	ZINC000293644968	ref	0.24	-15.83	0	370.471	0.395	3	5	5	Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](O)C[C@@H]2C)[C@H](C)O)cc1
365622446	ZINC000354679734	ref	3.02	-52.01	1	292.445	1.335	2	3	6	CC(C)(C)OCCCC[NH+]1CCC(S(N)(=O)=O)CC1
365622449	ZINC000354679734	high	0.61	-12.22	0	292.445	1.335	1	4	6	CC(C)(C)OCCCCN1CCC(S(N)(=O)=O)CC1
365622455	ZINC000354679418	ref	3.14	-12.03	0	288.335	1.864	2	3	8	COC[C@@H](C)CNC(=O)NCCSCC(F)(F)F
349535768	ZINC000093300110	ref	0.69	-7.44	0	292.339	0.207	2	5	2	CCc1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)cn1
365622462	ZINC000354679995	ref	7.95	-18.66	0	277.386	1.166	0	5	9	CCSCC[C@@H](C)N(C)C(=O)COCC(=O)OC
398246366	ZINC000417636448	ref	4.19	-45.8	1	241.379	1.72	3	1	5	C[NH2+]CCCNC(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C
185090008	ZINC000096075707	ref	3.08	-41.2	1	250.346	0.991	2	4	3	Cn1cc(NC[C@H]2CO[C@]3(CCC[NH2+]C3)C2)cn1
290623020	ZINC000257199634	ref	5.95	-48.03	1	325.453	1.892	2	3	3	CNC(=O)[C@]1(CC2CCN(C(=O)OC(C)(C)C)CC2)CCC[NH2+]1
290623024	ZINC000413261102	ref	3.65	-11.13	0	262.357	1.562	1	4	3	CNC(=O)[C@]1(C)CCN(c2nccnc2C(C)C)C1
365622416	ZINC000625030253	ref	2.21	-8.91	0	313.41	2.138	2	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@H]1CCC[C@H]1O
365622421	ZINC000625029057	ref	6.35	-9.99	0	318.421	2.187	0	4	1	CC(C)c1ncc2c(n1)CN(C(=O)N1C[C@H](C)O[C@H](C)C1)CC2
185090010	ZINC000096077969	ref	4.25	-52.51	1	293.367	0.708	2	4	4	Cc1noc(C)c1CN1C[C@@]2(CC[N@H+](CCO)C2)CC1=O
185090012	ZINC000096077969	mid	4.53	-53.13	1	293.367	0.708	2	4	4	Cc1noc(C)c1CN1C[C@@]2(CC[N@@H+](CCO)C2)CC1=O
342598193	ZINC000590826586	ref	4.51	-47.07	1	263.345	1.426	3	3	5	C[C@@H](CNC(=O)Nc1cnc(C2CC2)nc1)[NH+](C)C
365622431	ZINC000625031659	ref	7.01	-19.47	0	305.422	2.114	1	2	2	C[C@H]1CC2(CCC2)CN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
342598194	ZINC000590826586	high	2.15	-9.88	0	263.345	1.426	2	4	5	C[C@@H](CNC(=O)Nc1cnc(C2CC2)nc1)N(C)C
342598195	ZINC000590826747	ref	5.32	-12.07	0	293.279	1.608	1	5	3	COc1ccc(NC(=O)N2CCO[C@@H]3C[C@@H]32)cc1[N+](=O)[O-]
365622437	ZINC000625029194	ref	5.52	-7.22	0	308.466	2.43	1	3	7	C[C@@H]1CN(CCNC(=O)CC(C2CCC2)C2CCC2)CCO1
342598196	ZINC000590827671	ref	6.33	-12.92	0	277.324	1.853	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(C)cn1
342598197	ZINC000590828666	ref	5.45	-13.46	0	278.312	1.248	2	5	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccnc(C)n1
342598198	ZINC000590826466	ref	3.68	-12.59	0	273.296	1.972	2	5	4	Cc1cc(CNC(=O)Nc2cnc(C3CC3)nc2)no1
342598199	ZINC000590826391	ref	4.88	-7.08	0	299.758	1.927	2	4	4	Cc1nccc(NC(=O)N[C@@H](C)C(=O)OC(C)C)c1Cl
342598200	ZINC000590825443	ref	4.58	-15.22	0	283.291	1.481	2	5	2	Cc1noc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)n1
365622441	ZINC000625029194	low	7.92	-41.53	1	308.466	2.43	2	2	7	C[C@@H]1C[N@H+](CCNC(=O)CC(C2CCC2)C2CCC2)CCO1
342598201	ZINC000590827497	ref	4.87	-14.68	0	286.339	1.761	2	5	5	C[C@@H](Cn1cccn1)NC(=O)Nc1cnc(C2CC2)nc1
398246363	ZINC000651445967	ref	6.71	-8.92	0	289.766	3.002	1	3	1	C[C@H]1CN(c2cn[nH]c(=O)c2Cl)CCc2ccccc21
342598202	ZINC000616989169	ref	1.68	-14.65	0	273.119	1.498	2	2	3	O=C1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)N1
342598203	ZINC000590825494	ref	1.32	-13.78	0	290.323	1.351	3	5	6	Cc1ncc(NC(=O)NC[C@@H](CO)Cc2ccco2)cn1
190492052	ZINC000269413993	ref	7.54	-21.57	0	275.348	3.175	1	3	5	CCC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H](CC)O2)c1
398246364	ZINC000651452044	ref	5.84	-45.19	1	272.348	3.246	1	3	4	C[C@H]([NH2+][C@H]1CCO[C@@H](c2cccnc2)C1)c1ccoc1
398246365	ZINC000651452044	high	4.82	-6.55	0	272.348	3.246	1	4	4	C[C@H](N[C@H]1CCO[C@@H](c2cccnc2)C1)c1ccoc1
342082508	ZINC000625329514	low	7.84	-79.93	2	250.39	1.726	1	2	6	CCN(Cc1c[nH+]cn1C)C[C@@H]1CCC[N@H+]1CC
342082509	ZINC000625332865	ref	4.3	-34.61	1	256.39	1.208	1	3	6	CCN(C[C@@H]1COCCO1)C[C@H]1CCC[N@@H+]1CC
398246367	ZINC000651452579	ref	8.21	-7.31	0	250.386	3.007	1	1	1	C[C@@H]1C[C@@H](C)CN(C(=O)NC2CC3(CCC3)C2)C1
349535769	ZINC000621246047	low	5.57	-46.5	1	269.776	2.081	2	2	4	C[N@@H+](CC(=O)NC(C)(C)C)Cc1cncc(Cl)c1
398246369	ZINC000651452518	ref	8.81	-11.6	0	276.355	3.3	1	1	3	CN(Cc1cccc(F)c1)C(=O)NC1CC2(CCC2)C1
365622423	ZINC000336542411	ref	7.83	-46.79	1	258.365	2.266	1	1	2	Cc1cc(C)cc(N(C)C(=O)[C@H]2C[C@]23CC[NH2+]C3)c1
365622429	ZINC000336542473	ref	6.27	-42.23	1	297.402	2.46	2	2	3	C[C@@H]1CN(CC(=O)Nc2cccc3ccccc23)C[C@@H](C)[NH2+]1
349535773	ZINC000621244502	ref	5.48	-10.85	0	262.353	2.006	1	2	5	COCCCNC(=O)N1CC(C)(c2ccccc2)C1
214189850	ZINC000337633778	ref	3.51	-13.34	0	258.268	2.295	2	2	4	O=C(N[C@H]1CCCC[C@@H]1OC(F)F)c1cc[nH]c1
398246372	ZINC000651452664	ref	8.74	-8.88	0	258.365	3.161	1	1	3	CN(Cc1ccccc1)C(=O)NC1CC2(CCC2)C1
398246377	ZINC000651448497	ref	8.46	-6.75	0	292.386	3.135	0	4	1	C[C@H]1CN(c2ccnc3c2cnn3C)CCc2ccccc21
398246384	ZINC000651448617	ref	7.25	-7.03	0	259.378	3.013	0	4	1	Cc1nnc(N2CCc3ccccc3[C@@H](C)C2)s1
342082510	ZINC000625332865	mid	4.4	-35.21	1	256.39	1.208	1	3	6	CCN(C[C@@H]1COCCO1)C[C@H]1CCC[N@H+]1CC
214189853	ZINC000337632737	ref	4.46	-12.18	0	257.293	2.3	1	4	4	CCc1cccnc1NC(=O)c1ccc(OC)nc1
342082511	ZINC000625332865	mid	4.3	-34.61	1	256.39	1.208	1	3	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H]1COCCO1
398246387	ZINC000651447792	ref	7.57	-5.37	0	259.378	3.013	0	4	1	Cc1nsc(N2CCc3ccccc3[C@@H](C)C2)n1
398246393	ZINC000651448142	ref	9.49	-4.48	0	273.767	3.296	0	3	1	C[C@H]1CN(c2ncc(Cl)cn2)CCc2ccccc21
398246398	ZINC000651448257	ref	8.3	-6.3	0	256.324	3.387	0	2	1	C[C@H]1CN(c2ncccc2F)CCc2ccccc21
349535776	ZINC000621246535	ref	4.94	-15.09	0	299.334	2.083	3	5	6	C[C@@H](CCc1ccco1)Nc1ncnc2[nH]cc(C(N)=O)c12
185090013	ZINC000096077969	high	2.01	-13.19	0	293.367	0.708	1	5	4	Cc1noc(C)c1CN1C[C@@]2(CCN(CCO)C2)CC1=O
185090014	ZINC000096075809	ref	2.67	-11.99	0	276.34	1.488	2	5	3	COc1cc(NC2CCC3(CCC(=O)N3)CC2)ncn1
365622426	ZINC000121831686	ref	8.32	-52.22	1	274.412	2.463	1	3	4	Cn1nncc1C[N@H+](C)CC12CC3CC(CC(C3)C1)C2
342598204	ZINC000590825777	ref	3.61	-51.06	1	289.343	1.187	3	5	5	Cc1ncc(NC(=O)Nc2cnn(CC[NH+](C)C)c2)cn1
365622430	ZINC000121831686	mid	8.08	-53.29	1	274.412	2.463	1	3	4	Cn1nncc1C[N@@H+](C)CC12CC3CC(CC(C3)C1)C2
365622432	ZINC000121831686	mid	6.5	-7.49	0	274.412	2.463	0	4	4	CN(Cc1cnnn1C)CC12CC3CC(CC(C3)C1)C2
282120214	ZINC000151585280	ref	8.38	-18.1	0	314.389	2.204	1	5	7	COCCC1(CNC(=O)c2cccc(-n3cncn3)c2)CCC1
282120222	ZINC000151579352	ref	5.63	-9.86	0	306.353	2.403	1	3	4	CN(CC(F)F)C(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C
365622439	ZINC000121838261	ref	6.23	-36.36	1	290.407	2.411	2	2	6	CC[C@@H](CNC(=O)[C@H]1CCCC[NH2+]1)Oc1ccccc1C
342598205	ZINC000590825777	high	1.14	-15.33	0	289.343	1.187	2	6	5	Cc1ncc(NC(=O)Nc2cnn(CCN(C)C)c2)cn1
365622445	ZINC000121838261	high	4.86	-7.25	0	290.407	2.411	2	3	6	CC[C@@H](CNC(=O)[C@H]1CCCCN1)Oc1ccccc1C
365622450	ZINC000121835383	ref	4.72	-42.35	1	278.396	2.396	2	2	8	CCC[C@H]([NH3+])C(=O)NC[C@@H](CC)Oc1cccc(C)c1
282120230	ZINC000151575206	ref	3.02	-18.22	0	306.391	2.04	1	5	5	Cc1cc(C(=O)N(CCc2nccs2)C(C)C)[nH]c(=O)n1
282120236	ZINC000151575206	high	4.03	-46.41	-1	306.391	2.04	0	5	5	Cc1cc(C(=O)N(CCc2nccs2)C(C)C)[n-]c(=O)n1
342598206	ZINC000590825829	ref	5.06	-47.24	1	275.356	1.57	3	3	3	C[N@@H+]1CCC[C@H](NC(=O)Nc2cnc(C3CC3)nc2)C1
365622458	ZINC000121835383	high	4.42	-6.17	0	278.396	2.396	2	3	8	CCC[C@H](N)C(=O)NC[C@@H](CC)Oc1cccc(C)c1
349535770	ZINC000258956660	ref	6.75	-42.25	-1	223.276	2.023	1	5	5	CCC(C)(C)CNc1ncncc1C(=O)[O-]
197596740	ZINC000162853805	ref	3.78	-11.6	0	304.39	1.263	2	3	4	Cc1cc(C)cc(C(=O)NCC(=O)N2CC[C@H]([C@@H](C)O)C2)c1
365622464	ZINC000121838380	ref	5.8	-13.37	0	270.35	2.034	0	4	5	Cc1cccc([C@H](C)OC(=O)CCS(C)(=O)=O)c1
299072377	ZINC000358087346	ref	4.92	-13.73	0	320.389	1.835	1	4	6	CCCOc1ccc(C(=O)N2CCNC(=O)C2)c(OC(C)C)c1
303960080	ZINC000412060785	ref	3.66	-9.15	0	334.46	1.55	2	4	7	CC(C)c1ccc(CCNC(=O)CN2CCO[C@@H]([C@@H](C)O)C2)cc1
214189854	ZINC000293644544	ref	2.83	-15.22	0	353.448	0.632	0	7	4	Cc1cc(C)n(C[C@@H]2CN(S(=O)(=O)c3cnn(C)c3C)CCO2)n1
365622433	ZINC000274314295	ref	1.98	-16.13	0	299.281	1.624	1	6	4	Cc1nn(C)c(C)c1NC(=O)c1cc(OC(F)F)n(C)n1
365622444	ZINC000274315839	ref	5.44	-20.25	0	294.38	1.363	1	5	4	CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)Nc1cnccn1
342598207	ZINC000590825829	mid	5.6	-49.86	1	275.356	1.57	3	3	3	C[N@H+]1CCC[C@H](NC(=O)Nc2cnc(C3CC3)nc2)C1
398246368	ZINC000070244246	ref	8.27	-11.78	0	235.327	2.495	0	2	5	CCc1ccc(OCC(=O)N(C)C(C)C)cc1
365622451	ZINC000274314534	ref	3.85	-10.45	0	292.335	1.943	2	5	5	CC[C@H](Nc1cc2c(cc1OC)CCC(=O)N2)C(=O)OC
365622456	ZINC000274318363	ref	0.75	-9.87	0	293.392	1.663	1	6	4	C[C@@H](O)C[C@@H]1COCCN1Cc1cccc2nsnc12
398246370	ZINC000645406900	ref	5.86	-5.91	0	247.342	2.323	0	4	1	Cc1nccc(N2C[C@H](C)OC3(CCCC3)C2)n1
365622461	ZINC000274318363	low	2.67	-38.67	1	293.392	1.663	2	5	4	C[C@@H](O)C[C@@H]1COCC[N@@H+]1Cc1cccc2nsnc12
197596744	ZINC000162849804	ref	4.01	-54.94	1	314.476	2.202	1	3	4	[NH3+]CCc1ccc(S(=O)(=O)N2CC[C@H]3CCCC[C@@H]32)s1
197596746	ZINC000162862219	ref	3.55	-68.41	-1	319.336	1.562	1	5	3	O=C(c1nn(-c2ccccc2F)cc1[O-])N1CCC[C@@H](CO)C1
365622465	ZINC000274318363	low	2.91	-39.68	1	293.392	1.663	2	5	4	C[C@@H](O)C[C@@H]1COCC[N@H+]1Cc1cccc2nsnc12
365622472	ZINC000274314495	ref	6.24	-45.23	1	276.34	1.604	1	5	4	CO[C@H]1CC[N@H+](Cc2cc(-c3cnn(C)c3C)no2)C1
342598208	ZINC000590825829	high	2.71	-11.91	0	275.356	1.57	2	4	3	CN1CCC[C@H](NC(=O)Nc2cnc(C3CC3)nc2)C1
342598209	ZINC000590824914	ref	7.55	-21.9	0	281.319	1.59	1	4	2	Cc1cc(NC(=O)N2CC(C#N)C2)nn1-c1ccccc1
365622482	ZINC000274314495	mid	6.21	-44.95	1	276.34	1.604	1	5	4	CO[C@H]1CC[N@@H+](Cc2cc(-c3cnn(C)c3C)no2)C1
365622487	ZINC000274314495	mid	3.39	-9.22	0	276.34	1.604	0	6	4	CO[C@H]1CCN(Cc2cc(-c3cnn(C)c3C)no2)C1
365622491	ZINC000274318051	ref	6.38	-16.99	0	292.379	1.557	1	4	5	CC(C)O[C@@H]1C[C@H](NC(=O)Cn2ccccc2=O)C1(C)C
342598210	ZINC000590827615	ref	6.75	-14.65	0	277.303	1.937	2	4	5	Cc1cc(NC(=O)NCCCn2cncn2)ccc1F
365622496	ZINC000274313928	ref	6.12	-57.8	1	297.362	1.297	2	3	2	O=C(c1cccc(-c2nc[nH]n2)c1)N1CC[C@]2(CC[NH2+]C2)C1
342598211	ZINC000590826653	ref	5.74	-19.07	0	256.309	1.948	1	3	1	N#CC1CN(C(=O)Nc2cnc3c(c2)CCCC3)C1
178291973	ZINC000236990319	high	4.87	-53.11	1	364.471	1.19	2	6	6	CN(C)CCn1c(=O)oc2ccc(NC(=O)C[C@H]3CSCC[NH2+]3)cc21
178291976	ZINC000236987930	ref	4.02	-57.95	1	367.515	1.883	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1
178291978	ZINC000236992161	ref	3.1	-55.72	1	373.544	1.565	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)s1
178291980	ZINC000236996999	ref	5.05	-48.51	1	358.511	1.936	2	4	7	CCc1ccc(-c2nc(CC(=O)NCCN3CC[NH2+]CC3)cs2)cc1
398246371	ZINC000649444338	ref	3.84	-8.24	0	203.245	1.799	0	4	2	COc1cncc(-c2cnn(C)c2C)c1
178291982	ZINC000236989464	ref	6.26	-55.81	1	367.515	1.47	1	3	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH2+][C@@H](C)C2)cc1
398246375	ZINC000649444184	ref	2.91	-6.51	0	216.166	1.829	1	3	1	Cn1nccc1-c1cc(C(F)(F)F)[nH]n1
178291983	ZINC000236989464	mid	5.01	-13.96	0	367.515	1.47	1	4	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCN[C@@H](C)C2)cc1
365622435	ZINC000336542607	ref	4.23	-12.18	0	270.288	2.35	2	4	2	O=C1CC[C@H](C(=O)Nc2ccccc2O)n2cccc21
178291985	ZINC000236995460	ref	3.75	-57.98	1	355.504	1.822	2	3	10	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC[C@H](C)C[NH3+])cc1
365622438	ZINC000336542607	high	4.99	-41.42	-1	270.288	2.35	1	4	2	O=C1CC[C@H](C(=O)Nc2ccccc2[O-])n2cccc21
365622443	ZINC000336542127	ref	7.74	-100.59	2	253.415	2.368	1	3	3	Cc1ncc(CN2CCC[C@H]([NH+](C)C)CC2)s1
178291988	ZINC000236997210	ref	7.49	-38.54	1	362.47	1.923	2	4	8	CCOc1ccc(C[C@H](CNC(=O)[C@@]2(C)CCC[NH2+]C2)C(=O)OC)cc1
178291990	ZINC000236988928	ref	6.89	-53.52	1	367.515	1.472	1	3	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC[NH2+]CC2)cc1
365622454	ZINC000336542127	low	7.68	-99.03	2	253.415	2.368	2	2	3	Cc1ncc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)s1
178291992	ZINC000236988928	high	5.52	-13.96	0	367.515	1.472	1	4	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCCNCC2)cc1
365622459	ZINC000336542127	low	7.68	-99.03	2	253.415	2.368	2	2	3	Cc1ncc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)s1
178291993	ZINC000236997533	ref	3.65	-48.12	1	367.515	1.851	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1
178291995	ZINC000236985732	ref	4.71	-48.71	1	367.515	1.979	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCC[C@@H]2C[NH3+])c1
290623021	ZINC000336296745	ref	5.3	-8.34	0	274.183	3.039	1	2	2	C[C@H]1CC[C@@H]1NC(=O)c1ccsc1Br
398246376	ZINC000649444184	mid	2.92	-7.04	0	216.166	1.829	1	3	1	Cn1nccc1-c1cc(C(F)(F)F)n[nH]1
214189856	ZINC000337633437	ref	5.42	-8.14	0	285.428	2.45	1	3	9	CC[C@H](CC1CCCCC1)C(=O)N(C)CCOCCO
365622447	ZINC000625029194	low	7.89	-41.03	1	308.466	2.43	2	2	7	C[C@@H]1C[N@@H+](CCNC(=O)CC(C2CCC2)C2CCC2)CCO1
197596752	ZINC000290104876	ref	6.68	-41.57	1	258.365	2.648	2	1	4	CO[C@H](C)[C@@H](C)[NH2+][C@H]1Cc2[nH]c3ccccc3c2C1
342082512	ZINC000625332865	mid	4.4	-35.21	1	256.39	1.208	1	3	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H]1COCCO1
365622452	ZINC000625031355	ref	7.72	-12.29	0	318.425	2.331	1	6	8	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CC[C@H](CC)C1
365622457	ZINC000625030902	ref	9.66	-16.79	0	321.384	2.414	1	5	2	Cc1ccnc2nc(C(=O)N[C@]3(C)CCCc4ccccc43)nn12
365622463	ZINC000625028234	ref	6.03	-18.07	0	305.422	2.162	2	2	3	O=C(NC1CCC2(CC1)CC2)N[C@H]1CCN(C2CCC2)C1=O
365622469	ZINC000625029840	ref	5.09	-9.94	0	301.383	2.327	0	3	5	CO[C@H](CS(=O)(=O)N1CCC[C@@H]1C)c1ccc(F)cc1
197596758	ZINC000290107382	ref	6.19	-8.37	0	282.384	3.159	1	3	6	Cc1csc([C@@H](NC(=O)C2(CCF)CC2)C2CC2)n1
365622473	ZINC000625030903	ref	9.68	-18.98	0	321.384	2.414	1	5	2	Cc1ccnc2nc(C(=O)N[C@@]3(C)CCCc4ccccc43)nn12
365622480	ZINC000625030258	ref	2.02	-9.38	0	313.41	2.138	2	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)NC[C@@H]1CCC[C@H]1O
197596764	ZINC000290105018	ref	0.84	-9.99	0	296.425	1.096	0	8	4	C[C@@H]1CN(Cc2cnns2)CCN1Cc1cnns1
168366275	ZINC000041053855	ref	2.98	-88.04	2	199.342	0.748	2	1	3	C[C@@H]([NH3+])[C@@H](C)N1CCC([NH+](C)C)CC1
197596771	ZINC000290106783	ref	-0.71	-12.9	0	293.323	1.3	4	4	5	CC[C@H](O)CCNC(=O)Nc1cccc2c1OCC(=O)N2
342082513	ZINC000625329682	ref	1.7	-16.96	0	276.358	1.299	1	5	9	CCC[C@H](CNS(=O)(=O)Cc1ccon1)OCC
342082514	ZINC000625329682	high	1.32	-49.34	-1	276.358	1.299	0	5	9	CCC[C@H](C[N-]S(=O)(=O)Cc1ccon1)OCC
342082515	ZINC000625329830	ref	2.6	-7.84	0	295.383	1.963	0	6	6	CC(C)OC[C@@H]1CN(Cc2noc(C3CCC3)n2)CCO1
342082516	ZINC000032488586	ref	3.38	-9.45	0	271.411	1.243	1	5	3	CS[C@H](C)C(=O)Nc1nc2c(s1)CN(C)CC2
342082517	ZINC000032488586	low	6.18	-47.97	1	271.411	1.243	2	4	3	CS[C@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2
342082518	ZINC000032488586	low	6.18	-47.98	1	271.411	1.243	2	4	3	CS[C@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2
342082519	ZINC000625329713	ref	2.23	-10.25	0	289.401	1.386	1	5	9	CCC[C@H](CNS(=O)(=O)c1ccnn1CC)OCC
342082520	ZINC000625330004	ref	5.37	-12.18	0	294.395	1.955	1	4	7	CCN(Cc1cc(=O)c(OC)co1)C[C@H]1CCC[N@@H+]1CC
185090022	ZINC000096077101	ref	7.3	-12.01	0	291.42	2.681	0	4	3	C=CCN1C(=O)CCC[C@@]12CCCN(c1nccs1)C2
398246373	ZINC000650862813	ref	3.59	-9.01	0	272.345	1.167	1	4	5	O=C(NCCOC[C@@H]1CCOC1)N1CCCCCO1
214189857	ZINC000293642265	ref	-0.26	-19.2	0	356.444	0.597	2	5	6	COCCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](O)C[C@@H]2C)c1
398246378	ZINC000650864054	ref	4.01	-38.56	1	297.443	1.567	4	2	5	CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NC1CC[NH+](CCO)CC1
178291986	ZINC000192709298	ref	4.8	-5.89	0	249.31	2.561	1	4	2	Cc1cc2c(cc1N[C@@H]1CCOC[C@@H]1C)OCO2
342082521	ZINC000625330004	mid	6.14	-49.25	1	294.395	1.955	1	4	7	CCN(Cc1cc(=O)c(OC)co1)C[C@H]1CCC[N@H+]1CC
342082522	ZINC000625330004	high	5.37	-12.18	0	294.395	1.955	0	5	7	CCN(Cc1cc(=O)c(OC)co1)C[C@H]1CCCN1CC
214189863	ZINC000293641308	ref	1.79	-27.89	0	352.439	0.295	2	7	5	COCCn1nnc2c1CCN([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C2
282120218	ZINC000263021066	ref	1.38	-57.02	-1	328.39	0.955	2	5	8	CCC(CC)(CNS(=O)(=O)c1cccc(C(N)=O)c1)C(=O)[O-]
398246381	ZINC000650864054	high	1.71	-9.54	0	297.443	1.567	3	3	5	CC(C)(C)C[C@@H]1C[C@H]1NC(=O)NC1CCN(CCO)CC1
178291996	ZINC000295510453	ref	4.54	-6.26	0	249.31	2.702	1	4	2	Cc1cc2c(cc1N[C@@H]1C[C@@H](C)O[C@H]1C)OCO2
214189866	ZINC000293646724	ref	3.39	-13.0	0	365.415	0.741	2	8	7	CCOC(=O)c1ccsc1NC(=O)C(=O)NCCCc1cnn(C)n1
214189870	ZINC000293644674	ref	4.03	-20.69	0	373.435	0.291	0	7	6	Cc1nn(CCC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c(C)c1[N+](=O)[O-]
214189873	ZINC000293638649	ref	4.12	-24.51	0	361.373	0.95	2	6	5	Cc1cc(=O)c(C(=O)NC[C@H]2CC[C@@H](CO)O2)nn1-c1ccccc1F
178291998	ZINC000040874197	ref	5.97	-5.41	0	230.307	3.194	1	2	0	Cc1cc2c(cc1O)C[C@]1(CC[C@@H]3C[C@@]31C)O2
398246385	ZINC000650864847	ref	4.18	-40.37	1	271.405	1.273	3	2	6	CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)CCO
214189876	ZINC000293644649	ref	1.77	-23.31	0	353.444	0.21	1	4	6	CN(C(=O)CCc1ccccc1C(N)=O)[C@H]1CCN(S(C)(=O)=O)C1
214189879	ZINC000293637440	ref	5.28	-14.49	0	368.384	0.822	0	5	2	CN1C(=O)CO[C@@H](C(=O)N2CC[C@@]3(C)[C@@H](C2)C3(F)F)[C@@H]1c1cnn(C)c1
398246389	ZINC000650864847	mid	4.71	-39.47	1	271.405	1.273	3	2	6	CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)CCO
398246392	ZINC000650864847	high	2.77	-7.21	0	271.405	1.273	2	3	6	CCN1CCCC[C@@H]1CNC(=O)N(C)[C@@H](C)CCO
398246396	ZINC000650860144	ref	3.85	-10.39	0	270.373	1.358	2	3	4	COC[C@H]1C[C@@H](O)CN1C(=O)NCC1(C)CCCC1
365622448	ZINC000617373458	ref	1.61	-8.95	0	289.372	0.597	1	5	10	COCCOCCC(=O)N[C@@H](COC)C1CCOCC1
342598212	ZINC000590825828	ref	5.6	-49.6	1	275.356	1.57	3	3	3	C[N@@H+]1CCC[C@@H](NC(=O)Nc2cnc(C3CC3)nc2)C1
290623023	ZINC000492524189	high	2.93	-50.79	-1	261.306	2.204	1	5	3	Cc1nc(NC(=O)/C=C/c2cncc([O-])c2)cs1
365622453	ZINC000617371905	ref	2.42	-11.0	0	267.329	0.591	1	5	5	COC[C@H](NC(=O)c1ccn(C)n1)C1CCOCC1
282120219	ZINC000340917314	ref	9.48	-11.2	0	306.373	2.47	1	6	3	Cc1nc2n(n1)C[C@@H](Nc1ncncc1-c1ccccc1)CC2
349535774	ZINC000093300986	ref	2.71	-10.72	0	287.319	0.726	2	4	1	C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1O
342598213	ZINC000590825828	mid	5.06	-47.12	1	275.356	1.57	3	3	3	C[N@H+]1CCC[C@@H](NC(=O)Nc2cnc(C3CC3)nc2)C1
342598214	ZINC000590825828	high	2.71	-11.95	0	275.356	1.57	2	4	3	CN1CCC[C@@H](NC(=O)Nc2cnc(C3CC3)nc2)C1
342598215	ZINC000590825662	ref	5.37	-19.83	0	291.355	1.261	1	4	2	CCC(=O)N1CCCN(C(=O)Nc2cnc(C)nc2)CC1
342598216	ZINC000590824945	ref	5.73	-24.44	0	261.329	1.572	1	3	2	CC[C@H](C)n1[nH]c(=NC(=O)N2CC(C#N)C2)cc1C
197596761	ZINC000162853477	ref	2.62	-8.33	0	312.454	1.354	1	4	6	CCC(CC)[C@H](C(=O)N1CCC[C@H](CO)C1)N1CCOCC1
365622460	ZINC000617371241	ref	3.51	-37.27	1	270.373	0.638	2	3	5	COC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCOCC1
342598217	ZINC000590827555	ref	2.05	-13.96	0	276.34	1.779	3	4	3	O=C(Nc1cnc(C2CC2)nc1)N[C@H]1CCC[C@H](O)C1
398246374	ZINC000645406900	low	6.3	-34.02	1	247.342	2.323	0	3	1	Cc1nc(N2C[C@H](C)OC3(CCCC3)C2)cc[nH+]1
197596763	ZINC000162853477	mid	4.66	-34.25	1	312.454	1.354	2	3	6	CCC(CC)[C@H](C(=O)N1CCC[C@H](CO)C1)[NH+]1CCOCC1
365622466	ZINC000617371241	mid	3.94	-34.28	1	270.373	0.638	2	3	5	COC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCOCC1
365622470	ZINC000617371241	mid	1.06	-6.51	0	270.373	0.638	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCCN1C)C1CCOCC1
365622477	ZINC000617372650	ref	1.03	-8.54	0	253.302	0.581	2	4	5	COC[C@@H](NC(=O)c1ccn[nH]1)C1CCOCC1
365622483	ZINC000617372693	ref	1.67	-8.6	0	267.329	0.89	2	4	5	COC[C@H](NC(=O)c1cc(C)n[nH]1)C1CCOCC1
342598218	ZINC000590826798	ref	1.9	-11.94	0	277.328	1.0	3	4	5	CCNC(=O)[C@@H](C)NC(=O)Nc1cnc(C2CC2)nc1
214189865	ZINC000337635737	ref	1.47	-18.55	0	276.296	-0.517	1	4	2	C[C@@H]1CN(C(=O)c2cccnc2C(N)=O)CC(=O)N1C
342598219	ZINC000590825535	ref	5.65	-45.72	1	275.356	1.487	2	3	2	Cc1ncc(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1
365622467	ZINC000354679428	ref	5.56	-13.2	0	273.34	1.11	0	5	5	CCN(Cc1cn(C)nn1)C(=O)Cc1cccnc1C
178291997	ZINC000237000985	ref	4.85	-55.03	1	367.515	1.692	2	3	7	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1
178291999	ZINC000236993839	ref	8.06	-54.03	1	362.474	1.67	1	5	6	CCOC(=O)c1ccc(N2CCCN(C(=O)[C@@H]([NH3+])[C@@H](C)CC)CC2)nc1
214189868	ZINC000337634512	ref	4.61	-17.01	0	259.415	2.232	1	2	7	C[S@@](=O)CCCNC(=O)CCC1CCCCC1
365622471	ZINC000354681377	ref	7.29	-18.38	0	289.397	1.357	1	5	7	CCS[C@H]1CCCC[C@H]1NC(=O)COCC(=O)OC
365622476	ZINC000354680657	ref	6.3	-44.59	1	262.357	1.328	2	3	5	CCC[NH+]1CCC(CNC(=O)c2cncnc2)CC1
365622481	ZINC000354679500	ref	4.71	-7.94	0	277.349	1.85	1	5	4	Cc1cnc([C@@H](C)NC(=O)C(=O)c2cccn2C)s1
178292000	ZINC000236993839	high	7.75	-11.02	0	362.474	1.67	1	6	6	CCOC(=O)c1ccc(N2CCCN(C(=O)[C@@H](N)[C@@H](C)CC)CC2)nc1
365622488	ZINC000354681082	ref	4.19	-13.17	0	293.392	1.558	1	4	5	Cc1ccc(S(=O)(=O)NCCc2ccn(C)n2)cc1C
365622495	ZINC000354680691	ref	3.96	-10.55	0	284.4	1.552	1	3	8	CC[C@H](CC1CCCC1)C(=O)N(C)[C@H](COC)C(N)=O
299072378	ZINC000358087029	ref	4.84	-40.96	1	306.406	1.859	2	3	8	CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1
299072381	ZINC000358087029	high	3.79	-11.91	0	306.406	1.859	2	4	8	CNC(=O)C[C@@H](C)NCc1ccc(OC[C@H]2CCCO2)cc1
365622501	ZINC000354681336	ref	7.26	-49.93	1	276.384	1.358	1	3	4	C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCCn1cccn1
365622505	ZINC000354681336	mid	7.95	-48.08	1	276.384	1.358	1	3	4	C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CCCn1cccn1
214189871	ZINC000337635317	ref	6.22	-13.18	0	283.331	2.013	2	3	5	CCc1cccnc1NC(=O)CNC(=O)c1ccccc1
178292002	ZINC000236997663	ref	4.85	-42.64	1	367.515	1.723	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)cc1
178292004	ZINC000236989425	ref	5.57	-57.72	1	353.488	1.082	1	3	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CC[NH2+]CC2)cc1
365622509	ZINC000354679641	ref	5.74	-14.76	0	294.355	1.274	0	6	6	CCC[C@H](C)CC(=O)N1CC(n2cc(C(=O)OC)nn2)C1
365622514	ZINC000354681089	ref	5.71	-21.16	0	294.351	1.127	1	5	8	COC(=O)COCC(=O)NC[C@@H](c1cccnc1)C(C)C
365622520	ZINC000354680342	ref	4.74	-14.12	0	288.335	1.96	1	3	8	COCCCN(C)C(=O)NCCSCC(F)(F)F
365622526	ZINC000354680432	ref	4.93	-10.59	0	283.347	1.788	1	4	6	COC1CCC(CNC(=O)c2cnn(CCF)c2)CC1
398246379	ZINC000191995269	ref	7.31	-8.92	0	222.288	2.411	0	4	5	C=C(C)C[C@@H](C)C(=O)Oc1cnn(CC)c1
365622468	ZINC000336542186	ref	5.57	-10.64	0	297.721	2.49	2	4	3	C[C@@H](NC(=O)Nc1ccc(Cl)cc1F)c1ncn(C)n1
365622474	ZINC000336542073	ref	4.48	-15.37	0	273.348	2.308	0	2	2	C[C@@H]1CC[S@](=O)CCN1Cc1ccc(F)cc1F
398246380	ZINC000649444314	ref	5.59	-7.76	0	214.268	2.426	0	3	1	Cc1c(-c2ccc3c(c2)COC3)cnn1C
365622479	ZINC000336542251	ref	5.64	-51.18	-1	267.712	2.145	2	3	3	O=C(NC[C@@H]1CCCC1=O)c1cc(Cl)ccc1O
398246383	ZINC000649444200	ref	2.07	-10.85	0	241.312	1.766	1	3	4	C=C(C)c1ccc(OCC)c(S(N)(=O)=O)c1
365622485	ZINC000336542251	mid	5.64	-51.18	-1	267.712	2.145	1	3	3	O=C(NC[C@@H]1CCCC1=O)c1cc(Cl)ccc1[O-]
365622489	ZINC000336541849	ref	5.11	-45.93	-1	297.717	2.157	1	4	3	Cc1nn(C)cc1CNC(=O)c1cc(F)cc(Cl)c1[O-]
365622494	ZINC000336541849	low	4.11	-10.7	0	297.717	2.157	2	4	3	Cc1nn(C)cc1CNC(=O)c1cc(F)cc(Cl)c1O
197596766	ZINC000162852676	ref	4.81	-39.93	1	319.405	1.434	2	3	7	CCCC[C@H](C[NH3+])NC(=O)CN1C(=O)[C@H](C)Oc2ccccc21
365622497	ZINC000336542004	ref	5.49	-19.65	0	269.41	2.102	0	2	3	C=CCC1(C(=O)N2CC[C@H](C)[S@@](=O)CC2)CCC1
342598220	ZINC000590825535	high	3.25	-10.86	0	275.356	1.487	1	4	2	Cc1ncc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cn1
365622502	ZINC000336542034	ref	4.9	-12.5	0	269.385	2.477	0	2	2	Cc1ccc(F)cc1CN1CC[S@@](=O)CC[C@H]1C
342598221	ZINC000590825327	ref	2.35	-14.33	0	277.353	1.914	2	5	4	Cc1csc(CCNC(=O)Nc2cnc(C)nc2)n1
342598222	ZINC000590826729	ref	5.69	-21.51	0	276.252	1.591	1	5	3	COc1ccc(NC(=O)N2CC(C#N)C2)cc1[N+](=O)[O-]
342598223	ZINC000590824918	ref	4.82	-12.03	0	291.326	1.922	2	3	6	CO[C@H](CNC(=O)NCc1ccc(C#N)cc1F)C1CC1
342598224	ZINC000590825402	ref	4.46	-16.48	0	298.343	1.433	2	6	6	Cc1noc(NC(=O)NCCCCC(=O)OC(C)(C)C)n1
342598225	ZINC000590825724	ref	2.63	-13.27	0	297.362	1.922	2	4	4	Cc1ncc(NC(=O)NCCN2Cc3ccccc3C2)cn1
365622508	ZINC000336542034	low	7.04	-46.74	1	269.385	2.477	1	1	2	Cc1ccc(F)cc1C[N@H+]1CC[S@@](=O)CC[C@H]1C
342598226	ZINC000590825724	low	5.41	-51.89	1	297.362	1.922	3	3	4	Cc1ncc(NC(=O)NCC[NH+]2Cc3ccccc3C2)cn1
398246386	ZINC000649444321	ref	7.8	-6.41	0	200.285	2.958	0	2	2	CCc1cccc(-c2cnn(C)c2C)c1
342598227	ZINC000590826600	ref	1.94	-11.8	0	288.311	1.928	2	6	4	Cc1noc([C@@H](C)NC(=O)Nc2cnc(C3CC3)nc2)n1
342598228	ZINC000590825537	ref	4.21	-11.82	0	264.329	1.818	1	4	3	CCOC1CCN(C(=O)Nc2cnc(C)nc2)CC1
398246390	ZINC000649444229	ref	4.38	-11.22	0	217.268	1.817	1	2	2	C=C(C)c1cccc(N2CC[C@@H](O)C2=O)c1
342598229	ZINC000590826398	ref	4.55	-22.34	0	259.265	1.711	1	4	1	Cc1cc2c(cc1NC(=O)N1CC(C#N)C1)OCO2
290623027	ZINC000334427210	ref	5.27	-6.17	0	252.383	2.969	1	3	2	C[C@H]1CC[C@@H]1NC(=O)c1scnc1C(C)(C)C
214189880	ZINC000337633862	ref	1.23	-14.02	0	265.313	0.612	2	4	7	CC[C@@H](C)OCC(=O)NCc1ccc(C(N)=O)nc1
178292006	ZINC000236989425	mid	4.27	-14.05	0	353.488	1.082	1	4	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCNCC2)cc1
365622475	ZINC000121835420	ref	1.4	-6.59	0	277.151	2.279	2	3	4	CC[C@@](C)(CO)NC(=O)c1cc(Cl)ncc1Cl
178292009	ZINC000236987388	ref	10.42	-56.63	1	356.47	1.814	1	4	6	CCn1c(=O)n(CC(=O)N2CCC([NH2+]CC3CC3)CC2)c2ccccc21
178292010	ZINC000236986246	ref	4.54	-40.83	1	353.488	1.589	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2C[NH3+])c1
342598230	ZINC000590827556	ref	1.9	-11.63	0	276.34	1.779	3	4	3	O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1CCC[C@H](O)C1
282120223	ZINC000533442911	ref	6.37	-53.24	-1	283.335	1.835	0	3	3	CN(Cc1cccnc1)C(=O)N=c1ccc(C2CC2)n[n-]1
214189890	ZINC000337633839	ref	-2.38	-9.8	0	270.289	-0.002	3	5	7	CC[C@H](COC)NC(=O)NCc1cc(C(N)=O)no1
214189894	ZINC000337633767	ref	5.74	-13.86	0	298.342	2.173	1	3	3	CN(C[C@@H]1OCCc2ccccc21)C(=O)c1ccc(=O)[nH]c1
178292013	ZINC000236990488	ref	5.29	-49.0	1	360.458	1.582	2	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
282120229	ZINC000533442911	low	5.47	-18.1	0	283.335	1.835	1	3	3	CN(Cc1cccnc1)C(=O)N=c1ccc(C2CC2)n[nH]1
214189901	ZINC000337633360	ref	6.06	-6.87	0	268.307	3.153	2	1	4	Cc1ccc([C@H](C)NC(=O)NC2(C(F)F)CC2)cc1
282120235	ZINC000533440027	ref	6.3	-46.12	1	292.383	1.397	1	4	5	Cc1noc(CCC[N@@H+]2CCC[C@H](N3CCCC3=O)C2)n1
282120242	ZINC000533440027	mid	6.35	-44.89	1	292.383	1.397	1	4	5	Cc1noc(CCC[N@H+]2CCC[C@H](N3CCCC3=O)C2)n1
282120246	ZINC000533440027	high	3.93	-12.36	0	292.383	1.397	0	5	5	Cc1noc(CCCN2CCC[C@H](N3CCCC3=O)C2)n1
342598231	ZINC000590826749	ref	5.31	-12.47	0	293.279	1.608	1	5	3	COc1ccc(NC(=O)N2CCO[C@H]3C[C@H]32)cc1[N+](=O)[O-]
342598232	ZINC000590826143	ref	1.63	-15.9	0	277.328	1.002	3	4	6	CNC(=O)CCCNC(=O)Nc1cnc(C2CC2)nc1
342598233	ZINC000590827274	ref	5.75	-44.67	1	289.383	1.96	3	3	4	CC[NH+]1CCC(NC(=O)Nc2cnc(C3CC3)nc2)CC1
342598234	ZINC000590827274	high	3.37	-10.86	0	289.383	1.96	2	4	4	CCN1CCC(NC(=O)Nc2cnc(C3CC3)nc2)CC1
282120224	ZINC000251541310	mid	9.15	-87.33	2	330.476	2.025	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C1
398246382	ZINC000457184716	ref	7.19	-7.05	0	237.347	2.458	1	3	4	CCn1ccnc1C(=O)N[C@@H](C)CC(C)(C)C
398246388	ZINC000457184232	ref	6.04	-8.33	0	242.269	2.088	1	2	4	C[C@@H]1C[C@]1(C#N)C(=O)NCCC1CC(F)(F)C1
432002770	ZINC000103068660	ref	8.18	-16.91	0	302.374	3.144	0	4	6	COc1ccccc1[C@H](C)CC(=O)N(C)Cc1cc(C)on1
178292016	ZINC000008306516	ref	-2.56	-13.3	0	242.256	-0.027	2	4	1	Cc1cc2c(cc1S(N)(=O)=O)NC(=O)CO2
361822859	ZINC000351631034	ref	7.84	-39.7	1	253.39	1.768	2	1	4	C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC1CC1
361822863	ZINC000351631034	high	5.46	-8.75	0	253.39	1.768	1	2	4	C[C@@H](C1CCN(C)CC1)N(C)C(=O)NCC1CC1
361822867	ZINC000351630075	ref	6.53	-38.99	-1	281.41	1.937	0	6	7	C=CCN=c1[n-]nc(SCCCn2ccnc2)s1
361822870	ZINC000351630075	low	7.04	-54.29	0	281.41	1.937	0	5	7	C=CCN=c1[n-]nc(SCCCn2cc[nH+]c2)s1
361822879	ZINC000351630023	ref	4.07	-8.13	0	296.367	1.753	1	6	4	CCOC(=O)c1c(CN2CC[C@@H](O)C(C)(C)C2)noc1C
361822887	ZINC000351630097	ref	7.68	-40.85	1	279.388	1.257	2	4	5	C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)c1nncn1C
361822892	ZINC000351630097	mid	7.51	-43.33	1	279.388	1.257	2	4	5	C[C@H](NC(=O)CC[C@H]1CCCC[N@H+]1C)c1nncn1C
361822898	ZINC000351630480	ref	5.26	-39.3	1	283.416	1.753	3	2	9	C=CCCCCNC(=O)NC1CC[NH+](CCOC)CC1
361822906	ZINC000351630480	high	2.96	-9.57	0	283.416	1.753	2	3	9	C=CCCCCNC(=O)NC1CCN(CCOC)CC1
361822913	ZINC000351629978	ref	6.27	-47.09	1	270.417	1.896	2	2	6	C[NH+](C)CC[C@@H](NC(=O)C[C@H]1CCOC1)C(C)(C)C
361822919	ZINC000351631495	ref	2.16	-9.03	0	286.303	1.064	1	6	5	CCOC(=O)c1c(CN2C[C@H](F)C[C@@H]2CO)noc1C
361822927	ZINC000351630984	ref	3.38	-14.42	0	295.379	1.149	2	4	10	COC[C@](C)(CCO)NC(=O)COCCc1ccccc1
361822938	ZINC000351629938	ref	7.02	-10.43	0	291.347	1.786	0	4	5	COC(=O)[C@@H](c1ccccc1)N(C)C(=O)C[C@H]1CCOC1
361822946	ZINC000351631113	ref	4.56	-10.48	0	298.383	1.444	2	4	6	CCOC(=O)C1(CNC(=O)NC[C@@H]2CCO[C@@H](C)C2)CC1
361822959	ZINC000351630985	ref	3.41	-14.36	0	295.379	1.149	2	4	10	COC[C@@](C)(CCO)NC(=O)COCCc1ccccc1
361822967	ZINC000351631606	ref	5.59	-6.99	0	292.383	1.928	2	4	7	CCCCn1nccc1NC(=O)C(=O)NCCC1(C)CC1
361822977	ZINC000351631684	ref	4.07	-10.88	0	285.347	1.761	2	4	5	Cn1nc(C(=O)N[C@@H](CO)c2ccccc2)cc1C1CC1
365622478	ZINC000121838392	ref	8.12	-14.73	0	254.374	2.036	0	2	5	CCCC(=O)N1CCCC[C@H]1C(=O)N(C)CCC
365622484	ZINC000121835229	ref	6.47	-8.27	0	273.336	2.078	1	3	3	CCCn1ccc2cc(NC(=O)C(=O)N(C)C)ccc21
365622493	ZINC000121834766	ref	6.61	-35.47	1	291.439	2.057	1	3	8	CCC[C@H]1CN(CCc2ccncc2)CC[N@@H+]1CCOC
365622503	ZINC000121834766	mid	6.71	-34.34	1	291.439	2.057	1	3	8	CCC[C@H]1CN(CCc2ccncc2)CC[N@H+]1CCOC
365622506	ZINC000121834766	mid	6.15	-40.52	1	291.439	2.057	1	3	8	CCC[C@H]1C[N@H+](CCc2ccncc2)CCN1CCOC
197596780	ZINC000290106411	ref	5.88	-9.07	0	288.347	3.157	0	5	7	CC[C@@](C)(OC)c1noc(CCC(=O)c2ccccc2)n1
342598235	ZINC000590827041	ref	6.07	-18.84	0	286.339	1.761	2	5	5	C[C@@H](Cn1ccnc1)NC(=O)Nc1cnc(C2CC2)nc1
365622511	ZINC000121834766	mid	6.61	-40.72	1	291.439	2.057	1	3	8	CCC[C@H]1C[N@@H+](CCc2ccncc2)CCN1CCOC
349535777	ZINC000258942185	ref	10.61	-59.03	0	249.354	2.99	1	2	7	Cc1ccc(C)c(C[N@H+](C)CCCCC(=O)[O-])c1
342598236	ZINC000590827041	low	6.58	-45.49	1	286.339	1.761	2	4	5	C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cnc(C2CC2)nc1
349535783	ZINC000258942185	mid	10.56	-59.36	0	249.354	2.99	1	2	7	Cc1ccc(C)c(C[N@@H+](C)CCCCC(=O)[O-])c1
365622515	ZINC000121834766	high	4.34	-4.6	0	291.439	2.057	0	4	8	CCC[C@H]1CN(CCc2ccncc2)CCN1CCOC
365622519	ZINC000121833088	ref	7.04	-13.16	0	289.408	2.408	0	6	3	c1nc(C2CCCC2)sc1CN1CCn2cnnc2C1
342598237	ZINC000590827587	ref	6.37	-12.67	0	277.324	1.853	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C)ccn1
398246395	ZINC000649444153	ref	7.33	-10.02	0	244.269	2.664	0	3	1	Cc1c(-c2cc(F)c3c(c2)C(=O)CC3)cnn1C
398246399	ZINC000649444195	ref	6.59	-8.34	0	216.284	2.794	0	3	3	CCOc1cccc(-c2cnn(C)c2C)c1
342598238	ZINC000590826185	ref	3.14	-12.5	0	264.329	1.9	2	4	6	CO[C@@H](C)CCNC(=O)Nc1cnc(C2CC2)nc1
214189878	ZINC000053605661	ref	4.9	-18.53	0	348.407	1.206	2	8	8	CCCCn1c(N)c(N(CC)Cc2noc(C3CC3)n2)c(=O)[nH]c1=O
342598239	ZINC000590825843	ref	3.86	-13.91	0	272.312	1.409	2	5	4	Cn1ccnc1CNC(=O)Nc1cnc(C2CC2)nc1
342598240	ZINC000590825843	low	4.35	-40.79	1	272.312	1.409	2	4	4	Cn1cc[nH+]c1CNC(=O)Nc1cnc(C2CC2)nc1
342598241	ZINC000590826944	ref	3.58	-15.3	0	298.35	1.983	3	5	6	O=C(NCCNc1ccccn1)Nc1cnc(C2CC2)nc1
342598242	ZINC000590826944	low	4.05	-41.61	1	298.35	1.983	3	4	6	O=C(NCCNc1cccc[nH+]1)Nc1cnc(C2CC2)nc1
365622486	ZINC000625027794	ref	1.72	-10.3	0	312.313	2.099	1	4	6	CC(C)Oc1cncc(S(=O)(=O)NCCC(F)(F)F)c1
365622492	ZINC000625027794	high	1.32	-36.11	-1	312.313	2.099	0	4	6	CC(C)Oc1cncc(S(=O)(=O)[N-]CCC(F)(F)F)c1
365622498	ZINC000625031662	ref	7.01	-18.26	0	305.422	2.114	1	2	2	C[C@H]1CC2(CCC2)CN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
178292015	ZINC000236990488	high	4.96	-21.71	0	360.458	1.582	2	4	5	CC[C@H](C)[C@H](N)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
365638803	ZINC000617441456	high	3.17	-62.53	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@H](NC(=O)c2cccc3nn[n-]c23)c2ncnn21
365638806	ZINC000617441456	high	3.23	-62.12	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@H](NC(=O)c2cccc3[n-]nnc23)c2ncnn21
365638808	ZINC000617441456	high	3.38	-62.52	-1	283.295	0.985	1	6	2	C[C@@H]1C[C@H](NC(=O)c2cccc3n[n-]nc23)c2ncnn21
365639362	ZINC000623071858	ref	3.64	-47.52	1	301.39	1.467	3	2	4	[NH3+]C1(CNC(=O)C(=O)c2ccc[nH]2)C2CC3CC(C2)CC1C3
365639368	ZINC000623071157	ref	2.77	-46.52	1	320.212	1.095	1	4	2	[NH3+]C[C@H]1CN(C(=O)c2ncc(Br)s2)CCCO1
365639374	ZINC000623071412	ref	4.55	-42.48	1	304.394	1.974	2	3	2	[NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)Nc2cccnc2)C1
365639382	ZINC000623071370	ref	3.52	-54.12	1	304.394	1.832	2	3	2	[NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cccnc2)CC1
365639388	ZINC000623071897	ref	4.52	-50.83	1	320.393	1.943	1	4	2	Cc1nnc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)s1
365639397	ZINC000623071669	ref	4.3	-58.33	1	304.394	1.832	2	3	2	[NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)Nc2ccccn2)CC1
365639400	ZINC000641608601	mid	2.97	-37.91	1	253.321	1.112	2	3	4	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1ccncc1F
365639402	ZINC000623071823	ref	2.26	-45.72	1	309.366	1.285	2	4	4	COc1cc(NC(=O)N2CCCO[C@H](C[NH3+])C2)cc(OC)c1
365639404	ZINC000641608601	low	3.03	-84.31	2	253.321	1.112	2	2	4	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1cc[nH+]cc1F
365639408	ZINC000623071369	ref	3.49	-64.03	1	304.394	1.832	2	3	2	[NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)Nc2cccnc2)CC1
365639411	ZINC000641608601	low	3.44	-85.19	2	253.321	1.112	2	2	4	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1cc[nH+]cc1F
365639413	ZINC000623071560	ref	2.35	-55.23	1	324.45	1.489	1	5	3	CC(C)c1nnc(C(=O)N2C[C@H](C[NH3+])C3(CCOCC3)C2)s1
365639414	ZINC000641602367	ref	3.74	-9.6	0	263.403	1.862	0	3	5	CC[C@H](C)N(CC)S(=O)(=O)[C@H]1CCOC[C@H]1C
343994367	ZINC000625559352	ref	0.82	-11.47	0	219.306	0.518	1	3	5	C/C=C/CNS(=O)(=O)C[C@H]1CCOC1
398246397	ZINC000191994354	ref	4.73	-10.29	0	241.287	1.221	0	2	4	C#CCN(C)S(=O)(=O)Cc1ccc(F)cc1
365622490	ZINC000617372698	ref	3.31	-10.42	0	259.346	0.969	1	4	7	COC[C@@H](NC(=O)COC(C)C)C1CCOCC1
365622499	ZINC000617372462	ref	1.64	-8.19	0	257.33	0.581	1	4	5	COC[C@H](NC(=O)[C@H]1CCOC1)C1CCOCC1
178292017	ZINC000237001041	ref	4.83	-54.88	1	367.515	1.692	2	3	7	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)c1
282120227	ZINC000251541310	high	7.9	-42.77	1	330.476	2.025	2	2	4	CN1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1ccccc1
178292018	ZINC000236986392	ref	4.72	-50.53	1	367.515	1.836	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H](C[NH3+])C2)c1
178292019	ZINC000236992817	ref	8.44	-61.74	-1	358.394	1.99	2	5	9	CCC[C@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1)C(=O)[O-]
365622504	ZINC000617372651	ref	1.09	-8.56	0	253.302	0.581	2	4	5	COC[C@H](NC(=O)c1ccn[nH]1)C1CCOCC1
282120233	ZINC000187800824	ref	9.18	-42.41	1	321.852	2.92	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3cc(Cl)ccc32)C1
365622510	ZINC000617372699	ref	3.36	-10.51	0	259.346	0.969	1	4	7	COC[C@H](NC(=O)COC(C)C)C1CCOCC1
365622516	ZINC000617371904	ref	2.36	-10.98	0	267.329	0.591	1	5	5	COC[C@@H](NC(=O)c1ccn(C)n1)C1CCOCC1
178292020	ZINC000236991966	ref	8.18	-49.11	1	357.462	1.311	2	6	7	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@@H](C[NH2+]C)C1
178292021	ZINC000237000726	ref	4.94	-57.63	1	361.467	1.851	2	3	8	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1
178292023	ZINC000236992072	ref	8.18	-49.7	1	357.462	1.311	2	6	7	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@H](C[NH2+]C)C1
282120248	ZINC000335743341	ref	8.16	-40.52	1	279.428	2.158	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC3CCC2CC3)C1
185090034	ZINC000096076023	ref	3.46	-37.77	1	281.425	1.748	1	4	5	COCC[N@@H+]1CC[C@@]2(CCN2Cc2csc(C)n2)C1
178292026	ZINC000236986362	ref	5.07	-51.86	1	358.442	1.347	3	4	5	CCn1c(=O)[nH]c2cc(C(=O)N[C@H](C[NH3+])C3CCCCC3)ccc2c1=O
190492058	ZINC000269414084	ref	7.13	-9.9	0	277.372	2.055	2	6	5	CCn1cnc2c(N[C@@H](CO)CC(C)(C)C)ncnc21
365622522	ZINC000617372668	ref	-0.13	-18.06	0	272.345	0.2	2	4	8	COC[C@@H](NC(=O)CCCC(N)=O)C1CCOCC1
290623028	ZINC000492078592	ref	3.91	-6.76	0	312.41	1.831	2	4	2	CNC(=O)[C@]1(NC(=O)OC(C)(C)C)[C@@H]2CCCO[C@@H]2C1(C)C
365622528	ZINC000617373639	ref	3.33	-10.44	0	259.346	0.969	1	4	7	CCO[C@H](C)C(=O)N[C@@H](COC)C1CCOCC1
365622533	ZINC000617372428	ref	2.79	-13.06	0	289.372	0.597	1	5	10	CCOCCOCC(=O)N[C@H](COC)C1CCOCC1
365639366	ZINC000172937464	ref	2.05	-19.31	0	275.23	1.621	3	3	3	Cc1cc(NCC(=O)NC(N)=O)ccc1C(F)(F)F
282120228	ZINC000338997494	ref	2.23	-11.49	0	343.371	1.922	1	5	7	CCC(CC)(CNS(=O)(=O)c1cn(C)nc1C(F)(F)F)OC
342598243	ZINC000616989170	ref	1.68	-14.66	0	273.119	1.498	2	2	3	O=C1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)N1
299072379	ZINC000459276056	ref	6.93	-14.07	0	306.316	2.532	1	3	2	C[C@@H](NC(=O)N1CCc2cc(F)c(F)cc21)c1ccn(C)n1
398246400	ZINC000650863812	ref	4.08	-39.33	1	281.4	1.171	3	2	3	O=C(NC1CC[NH+](CCO)CC1)N1CCC12CCCC2
214189881	ZINC000293642677	ref	9.38	-19.24	0	372.454	0.93	0	8	4	Cn1cnn(CCC(=O)N2CCN(c3nc4ccccc4s3)CC2)c1=O
343994368	ZINC000139400794	high	3.09	-45.06	-1	170.171	1.812	0	3	0	N#Cc1cccc2ncc([O-])cc12
197596796	ZINC000162857479	ref	9.13	-14.41	0	321.377	2.184	0	5	5	CC(C)C[C@H]1CCCCN1C(=O)Cn1cc([N+](=O)[O-])ccc1=O
342598244	ZINC000590825516	ref	4.95	-18.4	0	274.328	1.583	2	5	6	Cc1ncc(NC(=O)NCCCCn2ccnc2)cn1
398246405	ZINC000650863812	high	1.78	-12.28	0	281.4	1.171	2	3	3	O=C(NC1CCN(CCO)CC1)N1CCC12CCCC2
214189884	ZINC000293640469	ref	1.16	-20.4	0	359.395	0.969	0	5	2	C[C@H]1[C@@H](C)N(S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC[S@@]1=O
214189886	ZINC000293635433	ref	4.3	-12.44	0	359.434	0.744	2	7	8	CCN(CC)c1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)cn1
214189889	ZINC000293643770	ref	3.65	-12.8	0	350.371	0.541	2	6	5	COCc1cc(NC(=O)C(=O)N2CCC[C@@H]2CO)cc(C(=O)OC)c1
214189891	ZINC000293644958	ref	-0.78	-14.86	0	370.471	0.395	3	5	5	Cc1ccc(S(=O)(=O)N[C@H](C(=O)N2CC[C@H](O)C[C@@H]2C)[C@@H](C)O)cc1
214189895	ZINC000293636333	ref	0.51	-16.1	0	368.455	0.837	3	5	5	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccccc1CS(C)(=O)=O
214189898	ZINC000293638844	ref	5.32	-34.94	0	357.388	0.466	0	6	6	CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@H]1CCN(S(C)(=O)=O)C1
214189902	ZINC000293644817	ref	2.37	-17.68	0	352.456	0.975	2	4	8	C[C@@H](c1ccccc1)[C@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(N)=O
168365054	ZINC000020094286	ref	6.91	-10.11	0	245.33	2.51	1	5	6	CCC(CC)CNc1ccc(-n2cnnn2)cc1
214189905	ZINC000293639832	ref	3.01	-12.0	0	350.375	0.051	2	7	2	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CC[C@H](O)C12CCCC2
342598245	ZINC000590825516	low	5.47	-43.87	1	274.328	1.583	2	4	6	Cc1ncc(NC(=O)NCCCCn2cc[nH+]c2)cn1
398246410	ZINC000650862774	ref	3.59	-9.43	0	282.384	1.671	2	3	6	O=C(NCCOC[C@H]1CCOC1)NC1CC2(CCC2)C1
214189882	ZINC000053597650	ref	10.48	-18.44	0	347.484	3.058	0	5	4	CCc1cc2c(=O)n(CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)cnc2s1
398246401	ZINC000651445320	ref	8.89	-38.72	1	280.456	3.336	2	1	5	CCCC(C)(C)C(=O)NC1CC[NH+](C2CCCC2)CC1
398246406	ZINC000651448168	ref	9.36	-9.38	0	278.359	3.124	1	3	1	C[C@H]1CN(c2ncnc3[nH]ccc23)CCc2ccccc21
398246409	ZINC000651448168	mid	9.45	-29.75	1	278.359	3.124	1	2	1	C[C@H]1CN(c2[nH+]cnc3[nH]ccc23)CCc2ccccc21
398246413	ZINC000651452113	ref	7.53	-42.7	1	274.408	3.326	1	2	5	CC(C)[C@H]([NH2+][C@H]1CCO[C@H](c2cccnc2)C1)C1CC1
398246417	ZINC000651447791	ref	10.02	-8.39	0	292.386	3.204	0	4	1	Cc1cc2c(N3CCc4ccccc4[C@@H](C)C3)nccn2n1
398246419	ZINC000651452673	ref	9.63	-8.89	0	272.392	3.469	1	1	3	Cc1ccccc1CN(C)C(=O)NC1CC2(CCC2)C1
365622500	ZINC000274313928	mid	6.44	-62.15	1	297.362	1.297	2	3	2	O=C(c1cccc(-c2nnc[nH]2)c1)N1CC[C@]2(CC[NH2+]C2)C1
365622507	ZINC000274318436	ref	0.09	-10.21	0	295.335	1.013	2	5	4	COc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c(O)c1
365622512	ZINC000274318436	high	1.06	-58.58	-1	295.335	1.013	1	5	4	COc1ccc(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c([O-])c1
365622517	ZINC000645272710	ref	3.5	-8.64	0	257.337	1.816	1	4	4	C[C@@H](CO)CN1Cc2cnn(-c3ccccc3)c2C1
365622521	ZINC000645272710	low	5.9	-46.62	1	257.337	1.816	2	3	4	C[C@@H](CO)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1
365622524	ZINC000645272710	low	5.95	-46.1	1	257.337	1.816	2	3	4	C[C@@H](CO)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1
365622527	ZINC000645272712	ref	3.4	-9.04	0	257.337	1.816	1	4	4	C[C@H](CO)CN1Cc2cnn(-c3ccccc3)c2C1
365622531	ZINC000645272712	low	5.89	-46.13	1	257.337	1.816	2	3	4	C[C@H](CO)C[N@@H+]1Cc2cnn(-c3ccccc3)c2C1
365622535	ZINC000645272712	low	5.95	-46.42	1	257.337	1.816	2	3	4	C[C@H](CO)C[N@H+]1Cc2cnn(-c3ccccc3)c2C1
365622540	ZINC000274318044	ref	6.52	-18.59	0	292.379	1.557	1	4	5	CC(C)O[C@@H]1C[C@@H](NC(=O)Cn2ccccc2=O)C1(C)C
365622545	ZINC000274318040	ref	5.09	-20.07	0	287.327	1.315	2	5	2	Cc1nnc([C@@H]2CCCN(C(=O)Nc3cncnc3)C2)[nH]1
365622550	ZINC000274318087	ref	0.66	-13.55	0	281.316	1.123	3	5	4	CC(C)(C)OC(=O)NCCNC(=O)Nc1cncnc1
342082523	ZINC000625329607	ref	3.18	-16.24	0	284.319	1.191	2	4	3	O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc(=O)[nH]cn1
365622555	ZINC000645272683	ref	3.39	-39.32	1	285.432	1.711	4	2	8	CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CC
365622513	ZINC000336542034	low	7.01	-53.11	1	269.385	2.477	1	1	2	Cc1ccc(F)cc1C[N@@H+]1CC[S@@](=O)CC[C@H]1C
365622518	ZINC000336542181	ref	6.03	-10.28	0	295.386	2.429	1	3	3	Cc1ncccc1C(=O)NC[C@H]1Cc2ccccc2N(C)C1
365622523	ZINC000336542513	ref	6.53	-11.71	0	291.395	2.394	0	4	2	C[C@H](C(=O)N1CC(C)(C)OC2(CCCC2)C1)n1cccn1
365622529	ZINC000336542288	ref	3.34	-8.98	0	285.702	2.284	1	3	3	O=C(NC[C@H]1CCCC1=O)c1cc(F)c([O-])c(Cl)c1
365622534	ZINC000336542288	low	3.34	-8.98	0	285.702	2.284	2	3	3	O=C(NC[C@H]1CCCC1=O)c1cc(F)c(O)c(Cl)c1
365622536	ZINC000336542440	ref	7.44	-36.53	1	289.419	2.5	2	2	3	Cc1ccc([C@@]2(C)CC[N@H+](CC3(O)CCOCC3)C2)cc1
365622541	ZINC000336542440	mid	7.44	-36.43	1	289.419	2.5	2	2	3	Cc1ccc([C@@]2(C)CC[N@@H+](CC3(O)CCOCC3)C2)cc1
342082524	ZINC000625329607	high	2.03	-41.28	-1	284.319	1.191	1	4	3	O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cc(=O)[n-]cn1
342082525	ZINC000625329702	ref	2.67	-10.23	0	290.385	1.775	1	5	8	CCC[C@H](CNS(=O)(=O)c1c(C)noc1C)OCC
365622549	ZINC000336542136	ref	6.38	-115.98	2	278.787	2.007	1	3	3	Cn1c(CN2CC[C@H](C[NH3+])C2)nc2cc(Cl)ccc21
185090036	ZINC000096076023	mid	3.21	-37.2	1	281.425	1.748	1	4	5	COCC[N@H+]1CC[C@@]2(CCN2Cc2csc(C)n2)C1
365622551	ZINC000336542136	low	6.05	-116.96	2	278.787	2.007	2	2	3	Cn1c(C[N@@H+]2CC[C@H](C[NH3+])C2)nc2cc(Cl)ccc21
365622556	ZINC000336542136	low	6.05	-116.96	2	278.787	2.007	2	2	3	Cn1c(C[N@H+]2CC[C@H](C[NH3+])C2)nc2cc(Cl)ccc21
214189885	ZINC000053600719	ref	4.41	-11.01	0	329.396	2.486	2	4	8	COc1cc(CCC(=O)NC[C@H](O)c2ccccc2)cc(OC)c1
282120231	ZINC000248951165	low	3.71	-54.1	1	320.389	1.299	3	4	6	CC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@H](C)O[C@H](CO)C2)cc1
185090038	ZINC000096076023	high	0.77	-6.37	0	281.425	1.748	0	5	5	COCCN1CC[C@@]2(CCN2Cc2csc(C)n2)C1
197596805	ZINC000290107529	ref	8.42	-43.27	1	289.423	2.527	2	1	8	CC[C@H](C[N@H+](CC)CCN1CCNC1=O)c1ccccc1
342082526	ZINC000625329702	high	2.32	-39.54	-1	290.385	1.775	0	5	8	CCC[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)OCC
342082527	ZINC000625333179	ref	1.91	-12.36	0	279.402	1.147	1	4	9	CCC[C@@H](CNS(=O)(=O)C[C@@H]1CCOC1)OCC
342082528	ZINC000625332917	ref	6.16	-48.9	1	294.447	1.734	1	5	6	CCN(Cc1nnnn1C(C)(C)C)C[C@@H]1CCC[N@@H+]1CC
342082529	ZINC000625332917	mid	7.13	-43.34	1	294.447	1.734	1	5	6	CCN(Cc1nnnn1C(C)(C)C)C[C@@H]1CCC[N@H+]1CC
342082530	ZINC000608879715	ref	1.45	-14.89	0	295.364	1.065	2	4	5	CCC[C@H](C#N)NC(=O)c1cc(S(N)(=O)=O)ccc1C
214189888	ZINC000053602769	ref	5.08	-13.27	0	329.322	2.324	1	4	7	CN(CCCOCC(F)(F)F)Cc1nc2ccccc2c(=O)[nH]1
214189892	ZINC000053602769	mid	7.38	-54.98	1	329.322	2.324	2	3	7	C[N@H+](CCCOCC(F)(F)F)Cc1nc2ccccc2c(=O)[nH]1
214189893	ZINC000053602769	mid	7.38	-54.96	1	329.322	2.324	2	3	7	C[N@@H+](CCCOCC(F)(F)F)Cc1nc2ccccc2c(=O)[nH]1
214189896	ZINC000053606862	ref	4.39	-13.4	0	326.4	2.471	1	5	7	CNC(=O)c1ccc(CN(Cc2noc(C3CC3)n2)C2CC2)cc1
214189900	ZINC000053600585	ref	4.79	-13.54	0	330.384	2.136	3	4	6	CCc1[nH]c(C(=O)NC[C@H](O)c2ccccc2)c(C)c1C(=O)OC
178292027	ZINC000236996337	ref	8.06	-56.61	-1	359.426	1.958	1	6	9	CCOc1ccc(C[C@H](CNC(=O)Cn2nc(C)cc2C)C(=O)[O-])cc1
178292029	ZINC000236995431	ref	3.75	-58.18	1	355.504	1.822	2	3	10	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1
178292031	ZINC000236998435	ref	9.02	-53.19	-1	373.335	1.672	1	7	6	CC[C@H](NC(=O)CCc1c(C)nc2nc(C(F)(F)F)nn2c1C)C(=O)[O-]
398246402	ZINC000639101390	ref	5.54	-40.76	1	210.321	1.099	1	1	4	C[C@H]([NH2+]C[C@H]1C[C@@H]2C[C@@H]2C1)C(=O)N(C)C
214189904	ZINC000053602446	ref	0.12	-18.83	0	344.44	1.606	2	5	5	NC(=O)c1ccc(-c2nc(CN3CCC(C(N)=O)CC3)cs2)cc1
214189907	ZINC000053602446	mid	2.87	-50.18	1	344.44	1.606	3	4	5	NC(=O)c1ccc(-c2nc(C[NH+]3CCC(C(N)=O)CC3)cs2)cc1
214189912	ZINC000053607804	ref	8.08	-21.44	0	338.835	2.855	1	3	5	C[C@@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(Cl)cc1C(N)=O
214189917	ZINC000053599788	ref	6.82	-12.42	0	325.372	2.429	1	7	6	COc1ccnc(N[C@H](c2ccccc2OC)c2nccn2C)n1
214189919	ZINC000053599788	low	7.68	-28.05	1	325.372	2.429	1	6	6	COc1ccnc(N[C@H](c2ccccc2OC)c2[nH+]ccn2C)n1
214189923	ZINC000053604044	ref	2.09	-18.9	0	332.429	1.429	1	5	6	CN(CC(=O)N(C)C)Cc1csc(-c2ccc(C(N)=O)cc2)n1
398246407	ZINC000004732929	ref	6.73	-42.05	-1	206.249	0.925	0	4	2	Cc1cc(=O)n2nc(CC(C)C)[n-]c2n1
214189927	ZINC000053604889	ref	6.2	-8.96	0	342.447	2.491	0	7	5	Cc1cc(N2CCN(Cc3noc(C4CC4)n3)CC2)nc(C(C)C)n1
214189932	ZINC000053604889	low	6.68	-28.53	1	342.447	2.491	0	6	5	Cc1cc(N2CCN(Cc3noc(C4CC4)n3)CC2)nc(C(C)C)[nH+]1
214189937	ZINC000053595008	ref	5.72	-19.44	0	330.388	0.902	0	6	2	Cc1nn(CC(=O)N2CCO[C@@H]3CCCC[C@H]32)c(=O)c(C#N)c1C
398246412	ZINC000004732929	low	7.19	-17.29	0	206.249	0.925	1	4	2	Cc1cc(=O)n2nc(CC(C)C)[nH]c2n1
365622525	ZINC000121838962	ref	7.84	-11.51	0	263.312	2.278	0	2	1	C[C@H]1CC[C@H](C(=O)N2CCc3ccc(F)cc3C2)O1
365622530	ZINC000121837266	ref	2.6	-8.7	0	289.335	2.152	1	4	1	CN(C)C(=O)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1
365622538	ZINC000121842030	ref	3.93	-6.84	0	260.366	2.457	1	5	3	Nc1ccnc(CN2CCC[C@H]2c2cccs2)n1
342598246	ZINC000590825600	ref	6.25	-21.87	0	260.253	1.89	1	4	2	Cc1cc(NC(=O)N2CC(C#N)C2)ccc1[N+](=O)[O-]
342598247	ZINC000590827061	ref	5.74	-16.63	0	287.327	1.157	2	6	6	O=C(NCCCn1cncn1)Nc1cnc(C2CC2)nc1
365622542	ZINC000121842030	mid	6.52	-28.16	1	260.366	2.457	2	4	3	Nc1ccnc(C[N@@H+]2CCC[C@H]2c2cccs2)n1
365622548	ZINC000121842030	mid	5.69	-28.28	1	260.366	2.457	2	4	3	Nc1ccnc(C[N@H+]2CCC[C@H]2c2cccs2)n1
365622554	ZINC000121833737	ref	7.25	-10.41	0	260.341	2.038	0	4	5	CC(C)n1cccc1C(=O)N(C)CCn1cccn1
365622562	ZINC000121836755	ref	4.5	-11.26	0	293.367	2.074	2	3	6	CCOc1ccc(NC(=O)CNC(=O)N(C)C(C)C)cc1
282120234	ZINC000449149270	high	4.99	-8.11	0	282.428	2.227	2	3	8	CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)NC2CC2)C1(CC)CC
342598248	ZINC000590827689	ref	4.94	-13.34	0	293.323	1.553	2	5	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(OC)cn1
282120241	ZINC000449148911	ref	9.13	-43.14	1	293.407	2.423	1	3	9	COC(=O)COC[C@H](C)[NH2+]CC(C)(C)Cc1ccccc1
282120247	ZINC000449149294	ref	6.31	-9.12	0	287.285	2.468	1	3	5	Nc1ccc(C(=O)N(CCC(F)(F)F)CC2CC2)nc1
282120253	ZINC000449148825	ref	7.57	-10.12	0	270.376	2.312	1	2	2	CC1(C)[C@H]2CN(C(=O)Cc3ccc4c(c3)NCC4)C[C@H]21
282120258	ZINC000449149374	ref	6.45	-58.85	-1	279.336	2.402	2	4	5	CC(C)(C)CC[C@H](NC(=O)c1ccccc1O)C(=O)[O-]
282120263	ZINC000449149374	high	7.53	-126.98	-2	279.336	2.402	1	4	5	CC(C)(C)CC[C@H](NC(=O)c1ccccc1[O-])C(=O)[O-]
282120267	ZINC000449149295	ref	6.2	-39.26	1	277.412	2.153	2	2	6	C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)Cc1ccncc1
282120273	ZINC000449149324	ref	6.24	-52.1	-1	298.427	2.255	2	3	6	C[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]
282120275	ZINC000449149324	mid	7.89	-56.22	0	298.427	2.255	2	3	6	C[C@H]1CC[C@@H](C)[N@H+]1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]
365622567	ZINC000121835710	ref	4.63	-43.8	1	278.396	2.396	2	2	8	CCC[C@H]([NH3+])C(=O)NC[C@H](CC)Oc1cccc(C)c1
349535778	ZINC000594973830	ref	7.31	-56.32	1	274.339	2.912	1	2	5	C=CCC1([NH2+]Cc2ccc(C#N)c(F)c2)CCOCC1
365622572	ZINC000121835710	high	4.33	-6.46	0	278.396	2.396	2	3	8	CCC[C@H](N)C(=O)NC[C@H](CC)Oc1cccc(C)c1
178292034	ZINC000236991675	ref	3.47	-40.71	1	361.427	1.324	3	7	6	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3csc(CN)n3)cc21
365622532	ZINC000354679365	ref	6.15	-10.97	0	278.381	1.943	0	5	5	CSCC[C@H](C)N(C)C(=O)c1cnn2ccncc12
365622537	ZINC000354679232	ref	8.99	-44.24	1	296.374	1.825	1	3	3	O=C(c1cncnc1)N1CCC[N@H+](Cc2ccccc2)CC1
365622544	ZINC000354679232	mid	8.93	-44.26	1	296.374	1.825	1	3	3	O=C(c1cncnc1)N1CCC[N@@H+](Cc2ccccc2)CC1
365622546	ZINC000354679232	mid	7.06	-8.79	0	296.374	1.825	0	4	3	O=C(c1cncnc1)N1CCCN(Cc2ccccc2)CC1
365622552	ZINC000354681395	ref	1.79	-7.86	0	270.373	1.406	3	3	6	COCC[C@@H](CO)NC(=O)N[C@H]1CCC12CCCC2
185090040	ZINC000096076494	ref	5.8	-39.67	1	295.452	2.077	1	4	3	CC[N@@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1
365622557	ZINC000354680452	ref	1.47	-12.82	0	281.352	1.747	3	4	8	CC[C@@H](O)CCCNC(=O)[C@H](OC)c1ccc(O)cc1
365622561	ZINC000354679404	ref	3.56	-47.0	1	275.352	1.192	3	2	5	Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1
365622565	ZINC000354679707	ref	4.33	-43.81	1	260.341	1.546	1	4	7	CCOc1cccc(C[NH2+]CCc2ccn(C)n2)n1
365622571	ZINC000354679707	high	2.96	-10.88	0	260.341	1.546	1	5	7	CCOc1cccc(CNCCc2ccn(C)n2)n1
185090042	ZINC000096076494	mid	6.05	-37.21	1	295.452	2.077	1	4	3	CC[N@H+]1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1
365622576	ZINC000354681182	ref	1.32	-8.75	0	277.324	1.501	2	4	5	COc1cc(NC(=O)C(=O)NCCC=C(C)C)ccn1
365622581	ZINC000354680140	ref	7.22	-43.7	1	273.38	1.919	2	2	4	CCc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C)n1
365622585	ZINC000354680140	mid	7.11	-43.35	1	273.38	1.919	2	2	4	CCc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)c(C)n1
365622589	ZINC000354680140	high	4.77	-8.22	0	273.38	1.919	1	3	4	CCc1ccc(C(=O)N[C@H]2CCN(C3CC3)C2)c(C)n1
365622592	ZINC000354681485	ref	6.1	-14.22	0	284.363	1.818	2	3	5	Cn1ccc(CCNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)n1
178292037	ZINC000236991675	mid	3.85	-102.9	2	361.427	1.324	3	6	6	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3csc(C[NH3+])n3)cc21
365622597	ZINC000354680166	ref	2.99	-21.84	0	294.42	1.144	1	3	5	C[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)N(C)Cc1ccccc1
365622600	ZINC000354680166	mid	5.24	-54.05	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)[N@H+](C)Cc1ccccc1
365622602	ZINC000354680166	mid	5.23	-55.27	1	294.42	1.144	2	2	5	C[C@H](C(=O)N[C@@H]1CC[S@@](=O)C1)[N@@H+](C)Cc1ccccc1
342598249	ZINC000590826799	ref	1.9	-12.02	0	277.328	1.0	3	4	5	CCNC(=O)[C@H](C)NC(=O)Nc1cnc(C2CC2)nc1
365622539	ZINC000617371243	ref	3.46	-36.66	1	270.373	0.638	2	3	5	COC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCOCC1
365622543	ZINC000617371243	mid	4.0	-34.11	1	270.373	0.638	2	3	5	COC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCOCC1
282120237	ZINC000248950989	ref	2.82	-13.51	0	301.33	1.28	1	5	5	COC(=O)C[C@H]1CSCCN1C[C@@H](O)CC(F)(F)F
282120239	ZINC000248950989	mid	5.05	-51.24	1	301.33	1.28	2	4	5	COC(=O)C[C@H]1CSCC[N@@H+]1C[C@@H](O)CC(F)(F)F
282120243	ZINC000248950989	mid	5.46	-42.29	1	301.33	1.28	2	4	5	COC(=O)C[C@H]1CSCC[N@H+]1C[C@@H](O)CC(F)(F)F
342598250	ZINC000590827554	ref	1.9	-11.64	0	276.34	1.779	3	4	3	O=C(Nc1cnc(C2CC2)nc1)N[C@H]1CCC[C@@H](O)C1
282120249	ZINC000248951508	ref	5.98	-38.8	1	317.433	1.565	3	2	6	C[C@H]1CCC[N@@H+](C[C@H](C)NC(=O)Cc2ccccc2C(N)=O)C1
342598251	ZINC000590824917	ref	5.01	-12.04	0	291.326	1.922	2	3	6	CO[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)C1CC1
282120255	ZINC000248951508	mid	5.96	-38.74	1	317.433	1.565	3	2	6	C[C@H]1CCC[N@H+](C[C@H](C)NC(=O)Cc2ccccc2C(N)=O)C1
365622547	ZINC000617371243	mid	1.1	-6.75	0	270.373	0.638	1	4	5	COC[C@H](NC(=O)[C@@H]1CCCN1C)C1CCOCC1
365622553	ZINC000617373376	ref	2.89	-10.95	0	281.356	0.9	1	5	5	COC[C@H](NC(=O)c1cc(C)n(C)n1)C1CCOCC1
365622559	ZINC000617371371	ref	4.45	-38.01	1	272.389	0.886	2	3	8	CCC[N@H+](C)CC(=O)N[C@@H](COC)C1CCOCC1
365622564	ZINC000617371371	mid	4.44	-38.02	1	272.389	0.886	2	3	8	CCC[N@@H+](C)CC(=O)N[C@@H](COC)C1CCOCC1
398246403	ZINC000649444339	ref	5.04	-8.31	0	229.279	2.024	1	2	2	C=C(C)c1ccc([C@]2(C)CC(=O)NC2=O)cc1
365622568	ZINC000617371371	high	2.19	-7.59	0	272.389	0.886	1	4	8	CCCN(C)CC(=O)N[C@@H](COC)C1CCOCC1
197596812	ZINC000162856135	ref	4.5	-45.09	1	306.406	1.88	2	3	7	CCCC[C@H](C[NH3+])NC(=O)[C@H]1COc2ccc(OC)cc2C1
398246404	ZINC000649444142	ref	3.19	-11.99	0	225.313	1.769	1	2	4	C=C(C)c1cccc(CNS(C)(=O)=O)c1
398246408	ZINC000649444331	ref	6.75	-7.82	0	202.253	3.075	0	2	1	C=C(C)c1cccc2c1OCCCC2=O
365622573	ZINC000617372788	ref	1.15	-8.23	0	271.342	0.709	1	6	5	COC[C@@H](NC(=O)c1cnns1)C1CCOCC1
282120259	ZINC000248949669	ref	3.12	-44.86	1	319.405	1.077	4	3	6	CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H]2CO)c1
365622580	ZINC000617372747	ref	2.23	-9.23	0	295.339	0.161	1	6	6	COC[C@H](NC(=O)C(=O)c1cnn(C)c1)C1CCOCC1
398246411	ZINC000649444171	ref	4.5	-8.74	0	216.166	1.829	1	3	1	Cn1cncc1-c1cc(C(F)(F)F)[nH]n1
185090044	ZINC000096076494	high	3.96	-4.27	0	295.452	2.077	0	5	3	CCN1CCOC[C@@]2(CCCN(Cc3nccs3)C2)C1
365622558	ZINC000645272683	mid	3.92	-38.33	1	285.432	1.711	4	2	8	CCCC[N@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](O)CC
178292039	ZINC000236991675	high	0.99	-11.96	0	361.427	1.324	2	8	6	CN(C)CCn1c(=O)oc2ccc(NC(=O)c3csc(CN)n3)cc21
365622563	ZINC000274317287	ref	4.22	-10.13	0	293.298	1.829	1	6	5	COC(=O)[C@@H](NCc1nc(C)no1)c1ccc(F)c(C)c1
365622569	ZINC000274317919	ref	5.02	-18.76	0	270.354	1.391	0	4	5	C[C@H](C[S@@](C)=O)N(C)C(=O)c1cc(C2CC2)on1
178292040	ZINC000236991842	ref	6.33	-54.52	-1	367.203	1.931	1	6	5	CC[C@@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C)C(=O)[O-]
214189909	ZINC000278494016	ref	8.7	-48.55	1	320.408	2.08	1	2	3	C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccccc1F
178292042	ZINC000236985955	ref	5.64	-47.99	1	353.488	1.461	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[NH2+]CC2)c1
178292044	ZINC000236985955	high	4.39	-13.55	0	353.488	1.461	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCCNCC2)c1
178292045	ZINC000236987637	ref	5.0	-49.48	1	367.515	1.755	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]2CCC[NH2+]C2)c1
365622575	ZINC000274316237	ref	7.16	-58.65	1	298.39	1.557	1	3	2	Cc1nc2ccccc2n1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1
365622578	ZINC000274316237	low	7.6	-84.27	2	298.39	1.557	1	2	2	Cc1[nH+]c2ccccc2n1CC(=O)N1CC[C@]2(CC[NH2+]C2)C1
365622583	ZINC000274313922	ref	4.31	-8.67	0	253.277	1.863	1	3	2	COC1CCN(C(=O)Nc2cccc(F)n2)CC1
365622587	ZINC000274315794	ref	4.86	-9.15	0	281.352	1.46	1	5	8	COC[C@H](CN[C@H](C(=O)OC)c1ccccc1C)OC
178292047	ZINC000236988083	ref	4.3	-50.13	1	353.488	1.507	2	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[NH2+]C2)c1
178292049	ZINC000236989413	ref	7.3	-49.54	1	360.502	1.845	2	3	5	CCn1c(C)cc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C
178292051	ZINC000236997792	ref	5.13	-55.25	1	367.515	1.979	2	3	8	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1
398246414	ZINC000649444171	mid	4.52	-8.46	0	216.166	1.829	1	3	1	Cn1cncc1-c1cc(C(F)(F)F)n[nH]1
178292052	ZINC000236996973	ref	3.83	-53.49	1	367.515	1.851	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1
365622594	ZINC000274316623	ref	4.52	-9.63	0	250.302	1.509	1	4	3	CN(C[C@H]1CCCCO1)C(=O)Nc1cncnc1
365622596	ZINC000274316584	ref	5.05	-6.34	0	276.34	1.452	1	4	2	C[C@H]1CCC[C@H](N(C)C(=O)C(=O)Nc2cncnc2)C1
214189910	ZINC000293638641	ref	2.41	-16.67	0	353.444	0.927	1	6	8	Cc1c(S(=O)(=O)N(C)C[C@@H](O)COCc2ccccc2)cnn1C
214189914	ZINC000293640372	ref	3.0	-31.1	0	366.443	0.075	1	6	4	Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CC[C@H](CS(C)(=O)=O)C1
214189918	ZINC000293640372	mid	2.21	-72.69	-1	366.443	0.075	0	6	4	Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@H](CS(C)(=O)=O)C1
214189922	ZINC000293637105	ref	8.59	-14.32	0	373.413	0.839	1	7	4	Cn1cnc(NC(=O)C(=O)N2C[C@@H](COc3ccccc3)OC(C)(C)C2)n1
214189926	ZINC000293647098	ref	2.65	-8.42	0	358.398	0.402	1	5	1	C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H](C)N1C
214189930	ZINC000293647098	mid	4.86	-42.23	1	358.398	0.402	2	4	1	C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H](C)[N@@H+]1C
214189933	ZINC000293647098	mid	4.47	-42.62	1	358.398	0.402	2	4	1	C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)C[C@@H](C)[N@H+]1C
214189936	ZINC000293645782	ref	5.43	-17.46	0	354.357	0.878	2	6	7	CC[C@@H](NC(=O)CCn1ncn(C)c1=O)[C@@H](O)c1c(F)cccc1F
197596807	ZINC000290107529	mid	8.41	-43.96	1	289.423	2.527	2	1	8	CC[C@H](C[N@@H+](CC)CCN1CCNC1=O)c1ccccc1
214189939	ZINC000293636304	ref	7.72	-13.52	0	353.423	0.935	2	7	5	CC[C@H](C)[C@H](NC(=O)C(=O)Nc1nc(C)n(C)n1)C(=O)OC(C)(C)C
214189944	ZINC000293642331	ref	-0.17	-14.17	0	371.459	0.249	3	5	8	CNC(=O)[C@H](C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(OC)cc1)C(C)C
214189948	ZINC000293644629	ref	3.46	-18.76	0	364.377	0.931	2	4	4	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(F)c(N2CCCNC2=O)c1
214189953	ZINC000293639628	ref	1.27	-15.58	0	352.387	0.691	3	6	8	COCc1cc(NC(=O)[C@H](CO)NC(=O)C(C)C)cc(C(=O)OC)c1
214189960	ZINC000293646659	ref	3.96	-18.24	0	374.376	0.646	2	7	2	O=C(Nc1cc(-n2cnnn2)ccc1F)C(=O)N1CC[C@H](O)C12CCCC2
214190517	ZINC000337636541	high	0.99	-7.54	0	277.315	0.804	2	3	6	COCCN1CC[C@@H](NC(=O)NC2(C(F)F)CC2)C1
342082531	ZINC000625332892	ref	5.02	-36.95	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)c1nnc(C)[nH]1
342082532	ZINC000625332892	mid	5.3	-32.78	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)c1nnc(C)[nH]1
342082533	ZINC000625332892	mid	5.02	-36.95	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)c1n[nH]c(C)n1
342082534	ZINC000625332892	mid	5.3	-32.78	1	265.405	1.98	2	3	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)c1n[nH]c(C)n1
342082535	ZINC000625333152	ref	2.76	-7.87	0	266.407	1.368	1	3	10	CCC[C@@H](CNS(=O)(=O)N(C)CCC)OCC
342598252	ZINC000590824901	ref	5.69	-17.27	0	265.357	1.747	1	3	4	CO[C@H](CNC(=O)N1CCC[C@](C)(C#N)C1)C1CC1
365622560	ZINC000336541851	ref	6.13	-18.92	0	294.42	2.046	0	3	2	CC(C)c1cccc(C(=O)N2CC[S@@](=O)C[C@H](C)C2)n1
365622566	ZINC000336542441	ref	7.46	-36.36	1	289.419	2.5	2	2	3	Cc1ccc([C@]2(C)CC[N@H+](CC3(O)CCOCC3)C2)cc1
365622570	ZINC000336542441	mid	7.44	-36.57	1	289.419	2.5	2	2	3	Cc1ccc([C@]2(C)CC[N@@H+](CC3(O)CCOCC3)C2)cc1
365622574	ZINC000336542187	ref	5.57	-10.52	0	297.721	2.49	2	4	3	C[C@H](NC(=O)Nc1ccc(Cl)cc1F)c1ncn(C)n1
365622579	ZINC000336542408	ref	7.78	-52.48	1	258.365	2.266	1	1	2	Cc1cc(C)cc(N(C)C(=O)[C@H]2C[C@@]23CC[NH2+]C3)c1
365622584	ZINC000336541800	ref	7.51	-14.92	0	293.432	2.161	0	2	3	CCc1ccc(CC(=O)N2CC[S@](=O)CC[C@H]2C)cc1
365622590	ZINC000336541772	ref	6.78	-19.28	0	257.337	2.341	1	3	3	C[C@@H]1CC[C@H](NC(=O)Cn2cc3ccccc3n2)C1
365622591	ZINC000336542475	ref	3.66	-9.93	0	288.269	2.483	2	2	3	O=C(Nc1ccc(F)c(F)c1F)N1CCC[C@H]1CCO
214189911	ZINC000337633516	ref	0.56	-12.8	0	293.323	0.866	1	6	7	CCc1noc2ncc(C(=O)N(C)CCOCCO)cc12
365638804	ZINC000625087665	ref	4.94	-12.17	0	318.417	2.469	2	3	5	CCCC(=O)NC[C@H]1CCCN(C(=O)c2c(C)cccc2O)C1
342598253	ZINC000590826585	ref	4.42	-47.72	1	263.345	1.426	3	3	5	C[C@H](CNC(=O)Nc1cnc(C2CC2)nc1)[NH+](C)C
282120238	ZINC000071874933	ref	5.78	-14.61	0	296.338	0.989	1	8	3	Cc1nc2n(n1)C[C@@H](Nc1cncc(-n3cccn3)n1)CC2
282120245	ZINC000329793488	ref	6.13	-24.99	0	339.363	0.903	2	8	3	Cc1nc2n(n1)C[C@H](NC(=O)Nc1cnn(-c3ncccn3)c1)CC2
282120254	ZINC000329793488	mid	6.13	-24.88	0	339.363	0.903	2	8	3	Cc1nc2n(n1)C[C@H](NC([O-])=[NH+]c1cnn(-c3ncccn3)c1)CC2
282120260	ZINC000115516780	ref	7.35	-13.07	0	322.294	2.299	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1nc(C(F)(F)F)ccc1C#N)CC2
365638809	ZINC000625087665	high	5.7	-52.05	-1	318.417	2.469	1	3	5	CCCC(=O)NC[C@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1
365638811	ZINC000625088214	ref	4.67	-12.81	0	311.394	2.299	1	3	7	CCO[C@@H](CS(=O)(=O)N[C@@H]1CCCC(F)(F)C1)C1CC1
365638813	ZINC000625088224	ref	4.34	-10.25	0	311.394	2.299	1	3	7	CCO[C@H](CS(=O)(=O)N[C@H]1CCCC(F)(F)C1)C1CC1
365638815	ZINC000625083816	ref	4.71	-20.24	0	303.284	2.115	2	3	6	C[C@@H](CC(=O)NCCC(=O)Nc1ccccn1)C(F)(F)F
282120280	ZINC000071874973	ref	8.51	-14.49	0	314.418	2.635	1	7	2	Cc1nc2n(n1)C[C@@H](Nc1ncnc3sc(C)c(C)c13)CC2
342598254	ZINC000590826585	high	2.17	-9.67	0	263.345	1.426	2	4	5	C[C@H](CNC(=O)Nc1cnc(C2CC2)nc1)N(C)C
365622577	ZINC000121840606	ref	3.24	-13.25	0	273.321	2.12	0	7	5	c1cc(-c2nnc(SCCn3ccnc3)o2)ccn1
365622582	ZINC000121840606	low	3.75	-40.21	1	273.321	2.12	0	6	5	c1cc(-c2nnc(SCCn3cc[nH+]c3)o2)ccn1
365622586	ZINC000121834135	ref	6.25	-15.45	0	288.351	2.373	1	4	6	COCCCN(C)C(=O)Nc1cnn(-c2ccccc2)c1
342598255	ZINC000590827447	ref	5.67	-45.16	1	289.383	1.817	3	3	5	CC[N@@H+]1CC[C@H](CNC(=O)Nc2cnc(C3CC3)nc2)C1
197596820	ZINC000290104862	ref	7.61	-35.51	1	277.408	3.2	1	2	7	COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1
197596821	ZINC000290106429	ref	6.35	-12.0	0	259.338	1.994	0	6	3	Cn1nncc1CSc1nc2ccccc2n1C
282120240	ZINC000151565747	ref	6.57	-8.56	0	302.418	2.286	2	2	7	CC(=O)N[C@H](C(=O)NCC1(Cc2ccccc2)CC1)C(C)C
365622593	ZINC000121837207	ref	4.11	-11.69	0	297.362	2.209	3	3	4	Cc1c(CNC(=O)NCc2cc3ccccc3[nH]2)cnn1C
365622598	ZINC000121833997	ref	7.48	-15.57	0	288.351	2.101	1	4	6	CN(CCOCc1ccccc1)C(=O)Nc1ccn(C)n1
342598256	ZINC000590827447	mid	5.66	-44.82	1	289.383	1.817	3	3	5	CC[N@H+]1CC[C@H](CNC(=O)Nc2cnc(C3CC3)nc2)C1
365622603	ZINC000121835869	ref	4.63	-42.8	1	278.396	2.396	2	2	8	CCC[C@@H]([NH3+])C(=O)NC[C@H](CC)Oc1cccc(C)c1
365622609	ZINC000121835869	high	4.29	-7.91	0	278.396	2.396	2	3	8	CCC[C@@H](N)C(=O)NC[C@H](CC)Oc1cccc(C)c1
365622613	ZINC000121836042	ref	5.87	-42.49	1	290.407	2.268	2	2	6	CC[C@@H](CNC(=O)[C@@H]1CCC[NH2+]C1)Oc1cccc(C)c1
349535779	ZINC000093299691	ref	1.29	-6.91	0	277.324	0.558	2	4	1	Cc1ncccc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](O)C1
365622618	ZINC000121840553	ref	6.02	-41.98	1	290.407	2.268	2	2	6	CC[C@H](CNC(=O)[C@H]1CCC[NH2+]C1)Oc1ccccc1C
342598257	ZINC000590824944	ref	5.73	-24.62	0	261.329	1.572	1	3	2	CC[C@@H](C)n1[nH]c(=NC(=O)N2CC(C#N)C2)cc1C
342598258	ZINC000590827526	ref	2.63	-12.86	0	262.313	1.343	2	4	2	O=C(Nc1cnc(C2CC2)nc1)N1CCC(O)CC1
365622623	ZINC000121836847	ref	4.55	-40.85	1	278.396	2.252	2	2	7	CC[C@H](CNC(=O)[C@@H]([NH3+])C(C)C)Oc1cccc(C)c1
365622628	ZINC000121836847	high	4.26	-5.89	0	278.396	2.252	2	3	7	CC[C@H](CNC(=O)[C@@H](N)C(C)C)Oc1cccc(C)c1
342598259	ZINC000590825578	ref	4.21	-11.43	0	264.329	1.818	1	4	3	CCO[C@H]1CCCN(C(=O)Nc2cnc(C)nc2)C1
365622633	ZINC000121836067	ref	7.41	-10.36	0	269.41	2.3	0	3	4	O=C(C1CCC1)N(C[C@@H]1CCCO1)[C@@H]1CCSC1
342082536	ZINC000625333180	ref	1.61	-14.05	0	279.402	1.147	1	4	9	CCC[C@H](CNS(=O)(=O)C[C@H]1CCOC1)OCC
214189913	ZINC000278494016	mid	8.51	-46.41	1	320.408	2.08	1	2	3	C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1ccccc1F
398246415	ZINC000650862837	ref	4.34	-12.14	0	282.384	1.768	1	3	5	O=C(NCCOC[C@H]1CCOC1)N1CCC12CCCC2
398246420	ZINC000650860491	ref	2.71	-13.81	0	291.326	1.445	3	3	6	CCc1n[nH]cc1C(=O)NC[C@@H](O)Cc1cccc(F)c1
398246423	ZINC000650863803	ref	6.28	-38.87	1	295.427	1.729	3	2	6	COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC2(CCC2)C1
214189916	ZINC000278494016	high	6.36	-9.72	0	320.408	2.08	0	3	3	C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccccc1F
214189921	ZINC000278494475	ref	2.98	-47.5	1	309.406	2.115	2	4	9	CCCOc1cc(C[NH2+][C@@]2(CCO)CCOC2)ccc1OC
214189925	ZINC000278494475	high	2.17	-8.16	0	309.406	2.115	2	5	9	CCCOc1cc(CN[C@@]2(CCO)CCOC2)ccc1OC
214189929	ZINC000278494894	ref	2.82	-7.64	0	304.346	1.101	2	4	2	C[C@H]1COCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCO2
398246426	ZINC000650863803	mid	5.22	-36.58	1	295.427	1.729	3	2	6	COCC[N@H+]1CCC[C@H]1CNC(=O)NC1CC2(CCC2)C1
342082537	ZINC000625329716	ref	1.26	-13.97	0	279.402	1.288	1	4	8	CCC[C@H](CNS(=O)(=O)[C@@H]1CCO[C@H]1C)OCC
214189934	ZINC000278496072	ref	4.66	-11.1	0	322.368	2.735	1	5	3	Cc1noc2ncc(C(=O)NCc3ccc4c(n3)CCCC4)cc12
214189938	ZINC000278495128	ref	5.01	-13.58	0	320.368	2.374	1	4	5	CC(C)CCO[C@H]1CCN(C(=O)c2cc(F)cc3n[nH]nc23)C1
214189942	ZINC000278495128	mid	4.91	-10.26	0	320.368	2.374	1	4	5	CC(C)CCO[C@H]1CCN(C(=O)c2cc(F)cc3nn[nH]c23)C1
168365056	ZINC000038855762	ref	3.65	-39.81	1	173.306	2.187	1	2	3	C[C@@H]([NH3+])CSc1cccs1
214189945	ZINC000278495128	high	4.83	-46.94	-1	320.368	2.374	0	4	5	CC(C)CCO[C@H]1CCN(C(=O)c2cc(F)cc3[n-]nnc23)C1
214189949	ZINC000278495128	high	4.75	-47.25	-1	320.368	2.374	0	4	5	CC(C)CCO[C@H]1CCN(C(=O)c2cc(F)cc3nn[n-]c23)C1
214189951	ZINC000278495128	high	5.0	-47.07	-1	320.368	2.374	0	4	5	CC(C)CCO[C@H]1CCN(C(=O)c2cc(F)cc3n[n-]nc23)C1
185090045	ZINC000096078496	ref	3.35	-49.87	1	278.356	0.592	2	5	3	Cc1ccc(NC[C@H]2CO[C@@]3(C[NH2+]CCOC3)C2)nn1
214189955	ZINC000278494488	ref	5.73	-42.56	1	317.454	3.355	2	3	6	Cc1ccc(-c2ccc(C[NH2+][C@]3(CCO)CCOC3)s2)cc1
342082538	ZINC000625333067	ref	3.64	-8.95	0	275.414	1.769	1	3	8	COCCS(=O)(=O)NCC(C1CCC1)C1CCC1
168365057	ZINC000082743813	ref	0.61	-51.61	1	173.245	-0.351	1	5	3	C[C@@H]([NH3+])CSc1nnnn1C
365622588	ZINC000617372460	ref	1.64	-9.06	0	257.33	0.581	1	4	5	COC[C@H](NC(=O)[C@@H]1CCOC1)C1CCOCC1
365622595	ZINC000617373117	ref	2.66	-7.58	0	279.34	0.956	1	5	5	COC[C@H](NC(=O)c1ccnc(C)n1)C1CCOCC1
342598260	ZINC000590825493	ref	1.44	-12.39	0	290.323	1.351	3	5	6	Cc1ncc(NC(=O)NC[C@H](CO)Cc2ccco2)cn1
365622599	ZINC000617373519	ref	2.09	-10.02	0	259.346	0.971	1	4	8	COCCCC(=O)N[C@H](COC)C1CCOCC1
365622604	ZINC000617371370	ref	4.39	-38.07	1	272.389	0.886	2	3	8	CCC[N@H+](C)CC(=O)N[C@H](COC)C1CCOCC1
349535780	ZINC000621246535	low	5.31	-37.1	1	299.334	2.083	3	4	6	C[C@@H](CCc1ccco1)Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
365622607	ZINC000617371370	mid	4.4	-37.96	1	272.389	0.886	2	3	8	CCC[N@@H+](C)CC(=O)N[C@H](COC)C1CCOCC1
365622610	ZINC000617371370	high	2.14	-7.48	0	272.389	0.886	1	4	8	CCCN(C)CC(=O)N[C@H](COC)C1CCOCC1
342598261	ZINC000590825442	ref	4.72	-15.31	0	283.291	1.481	2	5	2	Cc1noc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1
349535785	ZINC000621245895	ref	5.06	-38.02	1	275.352	2.245	1	4	7	C[NH2+][C@H](C)Cc1noc(COCc2ccccc2C)n1
349535790	ZINC000621244148	ref	4.08	-9.23	0	254.305	2.432	2	2	5	CC[C@H](C)NC(=O)NCc1cc(OC)ccc1F
342598262	ZINC000590825584	ref	4.57	-47.95	1	263.345	1.391	3	3	3	CC[N@@H+]1CCC[C@@H](NC(=O)Nc2cnc(C)nc2)C1
342598263	ZINC000590825584	mid	4.04	-45.84	1	263.345	1.391	3	3	3	CC[N@H+]1CCC[C@@H](NC(=O)Nc2cnc(C)nc2)C1
197596828	ZINC000162856376	ref	4.48	-44.0	1	306.406	1.88	2	3	7	CCCC[C@H](C[NH3+])NC(=O)[C@@H]1COc2ccc(OC)cc2C1
365622616	ZINC000617373640	ref	3.28	-10.43	0	259.346	0.969	1	4	7	CCO[C@H](C)C(=O)N[C@H](COC)C1CCOCC1
365622622	ZINC000617371737	ref	2.65	-14.32	0	268.313	0.775	1	5	6	COC[C@H](NC(=O)Cc1ccon1)C1CCOCC1
342598264	ZINC000590825584	high	1.82	-10.87	0	263.345	1.391	2	4	3	CCN1CCC[C@@H](NC(=O)Nc2cnc(C)nc2)C1
349535794	ZINC000621245769	ref	4.22	-7.39	0	265.357	2.257	1	3	4	COc1nc(C)cc(C)c1CN(C)C(=O)NC(C)C
365622626	ZINC000617372472	ref	2.3	-8.7	0	267.329	0.591	1	5	5	COC[C@@H](NC(=O)c1ccnn1C)C1CCOCC1
365622632	ZINC000617371361	ref	1.74	-13.78	0	267.329	0.51	2	4	6	COC[C@H](NC(=O)Cc1cc[nH]n1)C1CCOCC1
342598265	ZINC000590827042	ref	6.0	-18.05	0	286.339	1.761	2	5	5	C[C@H](Cn1ccnc1)NC(=O)Nc1cnc(C2CC2)nc1
212170294	ZINC000335492780	ref	3.66	-7.8	0	262.353	2.009	2	3	3	Cc1cc(N)cc(CNC(=O)[C@@H]2CCO[C@@H](C)C2)c1
365638805	ZINC000172922884	ref	1.67	-18.95	0	265.313	1.471	3	4	4	CC(C)(C)Oc1ccc(NCC(=O)NC(N)=O)cc1
365622601	ZINC000274314467	ref	4.27	-23.69	0	298.408	1.516	0	4	7	CCN(CC)C(=O)C[S@@](=O)Cc1cc(OC)cc(C)n1
290623030	ZINC000257226000	ref	3.37	-20.46	0	311.382	-0.247	1	4	3	CNC(=O)[C@]1(C)CN(C(=O)CN2CCCCCC2=O)CCO1
343994370	ZINC000073768997	ref	2.9	-10.62	0	244.316	1.052	0	3	4	CN(Cc1ccco1)S(=O)(=O)N1CCCC1
343994376	ZINC000625559055	ref	2.22	-9.87	0	241.312	1.55	1	3	5	C/C=C/CNS(=O)(=O)c1cccc(OC)c1
365622605	ZINC000274317806	ref	4.99	-11.86	0	286.331	1.813	2	3	5	O=C1CCc2cc(C(=O)CCC(=O)NC3CC3)ccc2N1
178292054	ZINC000236989311	ref	4.72	-49.21	1	350.438	1.614	3	2	6	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CC[NH2+][C@@H](C)C1
178292056	ZINC000236989311	mid	3.47	-8.35	0	350.438	1.614	3	3	6	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCN[C@@H](C)C1
178292058	ZINC000236986545	ref	6.67	-36.11	1	367.515	1.85	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@H]2C[NH2+]C)c1
178292059	ZINC000236995170	ref	5.07	-54.68	1	355.504	1.916	1	3	9	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C)[C@@H](C)C[NH3+])cc1
365622608	ZINC000274317905	ref	4.41	-36.73	1	289.423	1.621	2	2	6	CNC(=O)C[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C
214189915	ZINC000337634183	ref	9.22	-7.7	0	282.318	3.275	0	3	2	N#Cc1ccc(N2CCO[C@H](c3ccccc3)C2)c(F)c1
178292060	ZINC000236987961	ref	3.98	-54.28	1	353.488	1.493	2	3	8	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H](C[NH3+])C2CC2)c1
178292063	ZINC000236989126	ref	3.66	-55.29	1	350.438	1.743	3	2	6	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N1CCC([NH3+])CC1
178292064	ZINC000236992563	ref	7.47	-59.91	-1	363.389	1.724	3	4	8	CCC[C@H](NC(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O)C(=O)[O-]
365622612	ZINC000274317905	low	7.16	-110.95	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C
178292066	ZINC000236996267	ref	6.09	-90.02	2	354.539	1.302	3	2	8	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1
365622614	ZINC000274317905	low	6.81	-107.84	2	289.423	1.621	3	1	6	CNC(=O)C[C@H](C)[NH2+][C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C
365622617	ZINC000274318424	ref	3.44	-13.99	0	251.286	1.204	1	5	2	CC1(C)OCC(C)(C(=O)Nc2cncnc2)CO1
199273162	ZINC000181266153	ref	9.06	-43.76	1	314.433	2.47	2	2	3	CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1
365622621	ZINC000645272697	ref	0.55	-11.54	0	271.386	1.373	3	4	6	CC[C@@H](O)CNC(=O)NCCc1sc(C)nc1C
365622625	ZINC000274316467	ref	6.1	-46.92	1	261.329	1.179	2	3	2	O=C(Nc1cncnc1)N1CC[NH+](C2CCC2)CC1
210256315	ZINC000004712548	ref	4.91	-16.66	0	347.415	1.564	1	5	9	CCOCCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O
214189920	ZINC000337632933	ref	4.96	-8.09	0	292.688	3.076	2	1	4	O=C(NCc1c(F)cccc1Cl)NC1(C(F)F)CC1
398246416	ZINC000070244305	ref	8.75	-11.67	0	249.354	3.056	0	2	5	CC(C)c1ccc(OCC(=O)N(C)C(C)C)cc1
210256331	ZINC000004714089	ref	7.14	-9.49	0	336.116	3.526	0	4	2	O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(Br)o1
210256339	ZINC000004710708	ref	8.2	-52.82	1	328.799	4.293	1	3	6	COc1ccc(-c2ccc(C[NH2+]Cc3cccnc3)o2)cc1Cl
210256346	ZINC000004710708	mid	6.84	-9.31	0	328.799	4.293	1	4	6	COc1ccc(-c2ccc(CNCc3cccnc3)o2)cc1Cl
282120244	ZINC000338997494	mid	1.45	-46.05	-1	343.371	1.922	0	5	7	CCC(CC)(C[N-]S(=O)(=O)c1cn(C)nc1C(F)(F)F)OC
342598266	ZINC000590827042	low	6.51	-47.96	1	286.339	1.761	2	4	5	C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cnc(C2CC2)nc1
210256356	ZINC000004714730	ref	8.94	-38.37	1	331.395	3.184	1	2	5	C[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)[n+]1cccc(C(N)=O)c1
210256364	ZINC000004712631	ref	6.87	-13.79	0	345.443	2.334	1	4	9	CC(C)OCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O
342598267	ZINC000590825816	ref	1.92	-13.29	0	250.302	1.476	2	4	4	Cc1ncc(NC(=O)NCC[C@H]2CCCO2)cn1
210256372	ZINC000004713308	ref	11.7	-13.7	0	344.279	2.851	0	7	6	Cc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]
342598268	ZINC000590825566	ref	1.27	-11.71	0	272.308	1.599	3	4	4	Cc1ncc(NC(=O)NCc2ccccc2CO)cn1
365622606	ZINC000354681103	ref	2.17	-16.23	0	289.379	1.204	2	3	5	CCC(=O)N[C@@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1
365639401	ZINC000639790182	ref	4.9	-20.3	0	255.293	1.563	2	3	3	Cc1ccn(C)c(=O)c1NC(=O)NCC(C)(C)F
214189924	ZINC000337632564	ref	7.56	-8.09	0	260.337	3.099	1	3	4	CC[C@H](C)C[C@H](C)n1c(=O)[nH]c2ccccc2c1=O
210256382	ZINC000004713657	ref	2.33	-11.55	0	343.468	1.942	3	4	8	CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(N)=O
210256389	ZINC000004711777	ref	7.77	-51.93	-1	346.795	4.611	2	6	4	O=C([O-])c1cc(Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1O
342600595	ZINC000617000164	ref	2.87	-38.75	1	281.356	1.533	2	4	4	COc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)on1
197596840	ZINC000290104559	ref	4.09	-13.23	0	294.38	1.155	1	5	4	CC(C)N1C[C@@H](NC(=O)c2snnc2C2CC2)CC1=O
259308743	ZINC000517750893	ref	9.62	-29.09	0	245.322	2.682	1	2	5	O=C([O-])C[N@H+](Cc1ccccc1)[C@@H]1C=CCCC1
398246418	ZINC000649444280	ref	7.61	-6.62	0	200.285	3.012	0	2	1	Cc1cc(C)cc(-c2cnn(C)c2C)c1
398246421	ZINC000649444211	ref	4.36	-8.65	0	216.284	2.196	1	3	2	Cc1cc(-c2cnn(C)c2C)ccc1CO
398246424	ZINC000649444282	ref	8.45	-6.69	0	200.281	3.584	0	1	1	C=C(C)c1ccc2c(c1)C(=O)CC2(C)C
398246428	ZINC000649444193	ref	4.59	-5.64	0	206.285	2.653	1	2	5	C=C(C)c1ccc(CCCO)c(OC)c1
214189928	ZINC000337634100	ref	4.18	-18.36	0	269.345	0.429	1	3	3	COCC(=O)N1CCC(NC(=O)N2CCCC2)CC1
398246430	ZINC000649444143	ref	1.55	-11.03	0	233.271	1.162	1	5	4	Cc1c(-c2cncc(OCCO)c2)cnn1C
398246433	ZINC000649444183	ref	5.95	-7.15	0	241.216	2.809	0	3	1	Cc1c(-c2ccc(C(F)(F)F)cn2)cnn1C
398246436	ZINC000649444185	ref	1.03	-9.3	0	217.315	1.737	1	3	2	C=C(C)c1sc(S(N)(=O)=O)cc1C
398246437	ZINC000649444286	ref	1.59	-10.35	0	241.312	1.766	1	3	4	C=C(C)c1cc(S(N)(=O)=O)ccc1OCC
342082539	ZINC000625333641	ref	2.28	-13.08	0	299.392	1.084	1	4	7	COCCCS(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
178292069	ZINC000289588417	ref	3.52	-8.79	0	245.282	2.367	2	4	3	Cc1cc2c(cc1NCc1n[nH]cc1C)OCO2
214189931	ZINC000337632791	ref	4.49	-15.39	0	286.331	2.328	1	4	6	CN(CCCO)C(=O)c1cnccc1Oc1ccccc1
178292071	ZINC000289588417	mid	3.51	-7.88	0	245.282	2.367	2	4	3	Cc1cc2c(cc1NCc1[nH]ncc1C)OCO2
398246440	ZINC000649444320	ref	6.55	-5.17	0	218.296	3.025	0	2	4	C=C(C)c1cccc(CO[C@@H]2CCOC2)c1
214189935	ZINC000337635025	ref	4.85	-8.4	0	264.316	2.098	1	2	5	COC[C@H](C)CNC(=O)N1CCCC[C@H]1C(F)F
398246442	ZINC000649444327	ref	6.82	-6.49	0	202.253	2.993	0	2	1	C=C(C)c1cc(C)cc2c1OCCC2=O
398246445	ZINC000649444140	ref	7.68	-9.38	0	240.306	3.085	0	3	1	Cc1c(-c2cccc3c2[C@@H](C)CC3=O)cnn1C
214189940	ZINC000337633904	ref	-0.28	-19.71	0	276.312	-0.762	3	3	7	C[C@H](NC(=O)NCCC(=O)N(C)C)C(=O)NCCF
290623031	ZINC000492524242	ref	2.42	-11.97	0	290.363	2.123	2	4	7	COCCC1(CNC(=O)/C=C\c2cncc(O)c2)CCC1
214189947	ZINC000337633669	ref	4.1	-41.08	1	280.372	0.807	2	4	6	CCCC[C@H](C(=O)Nc1cc(C)on1)N1CC[NH2+]CC1
398246447	ZINC000649444213	ref	3.62	-7.84	0	202.257	1.888	1	3	2	Cc1c(-c2ccccc2CO)cnn1C
398246449	ZINC000649444318	ref	7.87	-10.3	0	240.306	2.915	0	3	1	Cc1c(-c2ccc3c(c2)CCCC3=O)cnn1C
398246452	ZINC000649444177	ref	8.06	-34.6	1	205.301	2.66	1	1	5	C=C(C)c1ccc(OCC[NH+](C)C)cc1
398246455	ZINC000649444177	high	5.57	-3.74	0	205.301	2.66	0	2	5	C=C(C)c1ccc(OCCN(C)C)cc1
185090048	ZINC000096078058	ref	4.76	-14.93	0	294.38	0.945	1	6	3	O=C(NC1CCC1)[C@H]1CCC2(CN(c3nncs3)C2)O1
342598269	ZINC000590825599	ref	2.96	-15.24	0	295.295	1.44	2	5	3	Cc1cc(NC(=O)NC2COCCOC2)ccc1[N+](=O)[O-]
214189941	ZINC000053593535	ref	4.44	-10.32	0	328.463	1.842	1	7	4	CNc1nnc(SCC(=O)N2CCO[C@H]3CCCC[C@H]32)s1
342598270	ZINC000590827448	ref	5.62	-45.28	1	289.383	1.817	3	3	5	CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnc(C3CC3)nc2)C1
214189946	ZINC000053602448	ref	2.7	-9.2	0	342.399	1.994	0	7	5	c1cc2c(cc1CN1CCN(Cc3noc(C4CC4)n3)CC1)OCO2
214189952	ZINC000053602448	low	5.12	-46.66	1	342.399	1.994	1	6	5	c1cc2c(cc1C[NH+]1CCN(Cc3noc(C4CC4)n3)CC1)OCO2
398246422	ZINC000417635882	ref	2.68	-51.62	1	227.352	1.602	3	1	5	C[C@H](CC[NH3+])NC(=O)N[C@H](C)C1CCCC1
214189958	ZINC000053595349	ref	7.45	-13.35	0	338.407	3.213	2	3	5	COC(=O)Nc1ccc(CNC(=O)Cc2ccc3c(c2)CCC3)cc1
214189964	ZINC000053587732	ref	7.11	-43.42	1	348.668	3.416	1	2	6	Cc1cc(Br)cc(Cl)c1OCC[NH2+]C[C@H]1CCOC1
214189969	ZINC000053602926	ref	7.88	-46.55	1	327.293	3.689	1	2	9	C[N@H+](CCCOCC(F)(F)F)Cc1ccc(OC(F)F)cc1
185090049	ZINC000096076169	ref	5.55	-32.66	1	275.396	1.626	1	3	2	C[N@@H+]1CCOC[C@]2(CCCN(Cc3ccccn3)C2)C1
214189973	ZINC000053602926	mid	7.87	-46.57	1	327.293	3.689	1	2	9	C[N@@H+](CCCOCC(F)(F)F)Cc1ccc(OC(F)F)cc1
214189976	ZINC000053602926	high	5.55	-8.83	0	327.293	3.689	0	3	9	CN(CCCOCC(F)(F)F)Cc1ccc(OC(F)F)cc1
197596839	ZINC000162858606	ref	8.63	-8.29	0	308.382	2.609	0	5	6	CC(C)C[C@H]1CCCCN1C(=O)CCn1cc([N+](=O)[O-])cn1
214189979	ZINC000053603174	ref	4.4	-12.61	0	334.445	2.985	1	6	7	CSc1ccccc1NC(=O)CN(C)Cc1noc(C(C)C)n1
342598271	ZINC000590827448	mid	5.66	-45.51	1	289.383	1.817	3	3	5	CC[N@H+]1CC[C@@H](CNC(=O)Nc2cnc(C3CC3)nc2)C1
342598272	ZINC000590826033	ref	5.37	-13.24	0	264.329	1.854	1	4	6	CCN(CCOC)C(=O)Nc1cnc(C2CC2)nc1
398246425	ZINC000417636450	ref	4.59	-45.39	1	241.379	1.72	3	1	5	C[NH2+]CCCNC(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C
342598273	ZINC000590825821	ref	1.93	-13.18	0	250.302	1.476	2	4	4	Cc1ncc(NC(=O)NCC[C@@H]2CCCO2)cn1
342598274	ZINC000590826908	ref	3.41	-10.87	0	261.329	1.133	1	4	2	CN1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1
342598275	ZINC000590826908	mid	5.78	-49.93	1	261.329	1.133	2	3	2	C[NH+]1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1
398246427	ZINC000417636447	ref	3.78	-45.71	1	241.379	1.72	3	1	5	C[NH2+]CCCNC(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C
365622611	ZINC000354681103	low	4.66	-43.25	1	289.379	1.204	3	2	5	CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1
365622615	ZINC000354681103	low	4.13	-44.49	1	289.379	1.204	3	2	5	CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1
365622619	ZINC000354679449	ref	3.59	-12.22	0	296.342	1.278	1	3	7	CC[C@@H](C(=O)N(C)[C@H](COC)C(N)=O)c1ccc(F)cc1
178292068	ZINC000236996267	high	5.81	-44.52	1	354.539	1.302	3	3	8	CC[C@H](C)[C@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1
365622624	ZINC000354681066	ref	5.12	-9.4	0	290.363	1.682	1	3	4	COc1ccc(C(=O)NCC(=O)N2C[C@H](C)C[C@@H]2C)cc1
365622627	ZINC000354679178	ref	5.64	-40.59	1	288.391	1.363	3	2	5	C[N@@H+]1CC[C@](O)(CNC(=O)C[C@@H]2C[C@@H]2c2ccccc2)C1
178292070	ZINC000236997601	ref	3.18	-54.06	1	353.488	1.461	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)cc1
214189950	ZINC000337633669	high	2.83	-7.52	0	280.372	0.807	2	5	6	CCCC[C@H](C(=O)Nc1cc(C)on1)N1CCNCC1
214189954	ZINC000337632851	ref	5.73	-9.98	0	291.405	3.278	1	7	4	CC(C)c1nnc(CNc2ncnc3sccc23)s1
214189957	ZINC000337635901	ref	6.66	-11.16	0	281.315	2.301	1	4	3	C[C@H](Cc1ccncc1)n1c(=O)[nH]c2ccccc2c1=O
178292072	ZINC000236996531	ref	5.92	-52.26	1	367.515	1.931	1	3	7	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+][C@@H](C)C2)cc1
178292074	ZINC000236996531	mid	4.7	-11.12	0	367.515	1.931	1	4	7	CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N2CCN[C@@H](C)C2)cc1
365622631	ZINC000354679178	mid	5.55	-41.04	1	288.391	1.363	3	2	5	C[N@H+]1CC[C@](O)(CNC(=O)C[C@@H]2C[C@@H]2c2ccccc2)C1
365622634	ZINC000354679178	high	3.02	-8.4	0	288.391	1.363	2	3	5	CN1CC[C@](O)(CNC(=O)C[C@@H]2C[C@@H]2c2ccccc2)C1
365622636	ZINC000354680398	ref	2.83	-12.25	0	286.319	1.76	2	3	5	O=C(NCCSCC(F)(F)F)NC1CCOCC1
178292076	ZINC000236985723	ref	6.06	-56.19	1	372.469	1.752	3	4	6	CCn1c(=O)[nH]c2cc(C(=O)NCC[NH2+]C3CCCCCC3)ccc2c1=O
178292078	ZINC000236990210	ref	3.34	-52.9	1	353.488	1.461	2	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
365622640	ZINC000354680133	ref	7.22	-43.73	1	273.38	1.919	2	2	4	CCc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C)n1
365622643	ZINC000354680133	mid	7.09	-42.47	1	273.38	1.919	2	2	4	CCc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c(C)n1
178292080	ZINC000236990210	high	3.01	-13.14	0	353.488	1.461	2	4	7	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1
365622646	ZINC000354680133	high	4.77	-7.77	0	273.38	1.919	1	3	4	CCc1ccc(C(=O)N[C@@H]2CCN(C3CC3)C2)c(C)n1
219048576	ZINC000286549349	ref	4.99	-10.64	0	302.378	2.171	2	4	3	Cc1noc(C)c1C(C)(C)NC(=O)[C@@H]1CCc2c[nH]nc2C1
219048581	ZINC000286549172	ref	6.14	-21.01	0	317.324	1.623	2	5	4	Cc1nnc([C@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)[nH]1
219048584	ZINC000286549172	mid	5.64	-22.12	0	317.324	1.623	2	5	4	Cc1nc([C@H](C)NC(=O)[C@H]2CC(c3cccc(F)c3)=NO2)n[nH]1
214189959	ZINC000278494488	high	4.83	-6.34	0	317.454	3.355	2	4	6	Cc1ccc(-c2ccc(CN[C@]3(CCO)CCOC3)s2)cc1
214189962	ZINC000278496189	ref	-2.28	-50.77	-1	313.291	1.127	0	8	5	COC(=O)c1coc(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1
219048587	ZINC000286550442	ref	4.58	-11.62	0	317.41	2.811	1	3	4	C[C@@]1(NS(=O)(=O)c2cccc(-c3ccccc3)c2)CCOC1
197596850	ZINC000290107172	ref	5.93	-7.26	0	275.352	2.595	0	4	3	C[C@@H]1CCCN(C(=O)c2nc(CC3=CCCC3)no2)C1
342082540	ZINC000032488585	ref	3.39	-9.42	0	271.411	1.243	1	5	3	CS[C@@H](C)C(=O)Nc1nc2c(s1)CN(C)CC2
219048589	ZINC000286549021	ref	-1.34	-21.14	0	313.379	0.711	3	4	3	CN(C(=O)Nc1cccc(S(N)(=O)=O)c1)[C@@H]1CCC[C@H]1O
168365058	ZINC000020094286	low	7.57	-53.45	1	245.33	2.51	1	4	6	CCC(CC)C[NH2+]c1ccc(-n2cnnn2)cc1
342082541	ZINC000032488585	low	6.19	-48.05	1	271.411	1.243	2	4	3	CS[C@@H](C)C(=O)Nc1nc2c(s1)C[N@H+](C)CC2
342082542	ZINC000032488585	low	6.19	-48.01	1	271.411	1.243	2	4	3	CS[C@@H](C)C(=O)Nc1nc2c(s1)C[N@@H+](C)CC2
342082543	ZINC000625329564	ref	5.89	-33.83	1	262.401	1.97	2	3	6	CCN(Cc1cccnc1N)C[C@H]1CCC[N@@H+]1CC
342082544	ZINC000625329564	mid	4.88	-36.92	1	262.401	1.97	2	3	6	CCN(Cc1cccnc1N)C[C@H]1CCC[N@H+]1CC
342082545	ZINC000625330000	ref	3.99	-11.33	0	281.377	1.457	1	3	5	O=S(=O)(CC1CC1)NC[C@@H]1Cc2ccccc2CO1
342082546	ZINC000608879673	ref	5.2	-15.49	0	256.309	1.779	2	4	6	CCC[C@H](C#N)NC(=O)CNc1ccc(C#N)cc1
342082547	ZINC000625329768	ref	2.23	-56.95	-1	289.401	1.212	1	5	8	CCC[C@H](CNS(=O)(=O)c1cn(C)c(C)n1)OCC
342082548	ZINC000625329768	high	2.23	-56.95	-1	289.401	1.212	0	5	8	CCC[C@H](C[N-]S(=O)(=O)c1cn(C)c(C)n1)OCC
342082549	ZINC000625329561	ref	7.82	-41.45	1	291.443	1.999	1	4	7	CCN(Cc1nc(C2CC2)nn1C)C[C@@H]1CCC[N@@H+]1CC
342082550	ZINC000625329561	mid	7.55	-41.67	1	291.443	1.999	1	4	7	CCN(Cc1nc(C2CC2)nn1C)C[C@@H]1CCC[N@H+]1CC
342082551	ZINC000625329513	ref	7.33	-37.14	1	250.39	1.726	1	3	6	CCN(Cc1cncn1C)C[C@H]1CCC[N@@H+]1CC
342082552	ZINC000625329513	mid	7.03	-40.75	1	250.39	1.726	1	3	6	CCN(Cc1cncn1C)C[C@H]1CCC[N@H+]1CC
398246429	ZINC000650863803	high	3.45	-8.03	0	295.427	1.729	2	3	6	COCCN1CCC[C@H]1CNC(=O)NC1CC2(CCC2)C1
342598276	ZINC000590827557	ref	2.33	-11.76	0	276.34	1.779	3	4	3	O=C(Nc1cnc(C2CC2)nc1)N[C@@H]1CCC[C@@H](O)C1
398246431	ZINC000650860659	ref	4.32	-15.89	0	287.262	1.702	1	4	5	CO[C@@H](C)C(=O)NCCc1ccc2c(c1)OC(F)(F)O2
214189961	ZINC000337636543	ref	3.47	-40.96	1	277.315	0.804	3	2	6	COCC[N@@H+]1CC[C@H](NC(=O)NC2(C(F)F)CC2)C1
210256397	ZINC000004712005	ref	6.79	-21.03	0	331.375	3.264	2	3	5	O=C(NCc1ccccn1)c1cccc(NC(=O)c2ccccc2)c1
210256405	ZINC000004710042	ref	8.7	-22.24	0	325.324	3.219	1	6	4	CC(Cn1c(=O)oc2ccccc21)=NOC(=O)Nc1ccccc1
342598277	ZINC000590826725	ref	3.69	-14.17	0	295.295	1.59	2	5	3	COc1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
185090050	ZINC000096076169	mid	5.84	-32.76	1	275.396	1.626	1	3	2	C[N@H+]1CCOC[C@]2(CCCN(Cc3ccccn3)C2)C1
349535781	ZINC000594970465	ref	7.6	-53.66	1	269.373	2.833	1	3	3	C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1nc(C#N)cs1
210256269	ZINC000019525941	low	6.82	-42.26	1	376.526	2.78	1	5	6	CCCn1ncc(C[N@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1C
210256274	ZINC000019524794	ref	11.44	-18.02	0	375.472	4.14	1	3	4	CCn1cc(CC(=O)Nc2ccc3c(c2)C[C@H](C)N3C(C)=O)c2ccccc21
210256281	ZINC000019525352	ref	7.26	-12.98	0	394.479	2.381	0	7	6	CCCc1cc(C(=O)N2CCN(Cc3cc(-c4cccnc4)nn3C)CC2)no1
214189965	ZINC000337636543	mid	3.24	-40.83	1	277.315	0.804	3	2	6	COCC[N@H+]1CC[C@H](NC(=O)NC2(C(F)F)CC2)C1
342598278	ZINC000194629825	ref	3.78	-10.11	0	293.175	1.783	0	3	4	C#CCN(Cc1ncc(Cl)cc1Cl)S(C)(=O)=O
210256290	ZINC000019523040	ref	6.32	-12.96	0	375.498	1.94	1	7	7	CCc1ccccc1NC(=O)CSc1nnc(CN2CCOCC2)n1C
210256295	ZINC000019522355	ref	10.89	-15.97	0	392.425	4.127	0	4	3	CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4=CCCCC4)C3)cc2n1
342598279	ZINC000590825242	ref	2.1	-18.08	0	291.307	1.024	3	5	4	Cn1c(=O)oc2cc(NC(=O)NC[C@H](O)C3CC3)ccc21
214189968	ZINC000337636543	high	0.71	-7.24	0	277.315	0.804	2	3	6	COCCN1CC[C@H](NC(=O)NC2(C(F)F)CC2)C1
197596856	ZINC000162851257	ref	6.66	-14.49	0	311.451	2.654	0	5	5	CN(C(=O)CCCc1nc(C(C)(C)C)no1)[C@H]1CCSC1
214189972	ZINC000337634142	ref	5.57	-20.51	0	299.461	2.193	1	3	8	C[C@H](SCc1ccccc1)C(=O)NCCC[S@@](C)=O
178292082	ZINC000236998119	ref	7.49	-38.89	1	362.47	1.923	2	4	8	CCOc1ccc(C[C@H](CNC(=O)[C@]2(C)CCC[NH2+]C2)C(=O)OC)cc1
365622620	ZINC000641587135	ref	4.3	-17.64	0	273.332	1.607	1	3	1	CC1(C)Cc2cccc(C(=O)N3C[C@H]4C[C@@]4(O)C3)c2O1
178292084	ZINC000236992129	ref	7.76	-50.94	-1	360.267	1.972	0	6	5	CCN(CC(=O)[O-])C(=O)c1nnn(-c2cccc(F)c2)c1C(F)(F)F
178292086	ZINC000236991069	ref	7.56	-111.83	2	368.437	1.665	3	4	7	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cc21
365622629	ZINC000641590854	ref	2.43	-17.37	0	289.331	1.313	2	4	1	CC1(C)Cc2ccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)c(O)c2O1
365622637	ZINC000641590854	high	3.41	-68.54	-1	289.331	1.313	1	4	1	CC1(C)Cc2ccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)c([O-])c2O1
282120250	ZINC000424396029	ref	4.64	-54.47	-1	329.418	2.173	1	5	8	CCC(CC)(CNS(=O)(=O)c1ccc(OC)cc1C)C(=O)[O-]
282120264	ZINC000424364136	ref	5.0	-53.08	-1	335.372	2.443	1	4	7	CCC(CC)(CNS(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]
365622642	ZINC000641590636	ref	5.42	-9.53	0	263.341	1.063	1	4	4	CC(C)C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)n1ccnc1
365622648	ZINC000641590636	low	5.34	-38.53	1	263.341	1.063	1	3	4	CC(C)C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)n1cc[nH+]c1
178292088	ZINC000236991069	high	7.25	-41.52	1	368.437	1.665	3	5	7	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc21
178292089	ZINC000236991069	high	4.77	-14.34	0	368.437	1.665	2	6	7	CN(C)CCn1c(=O)oc2ccc(NC(=O)[C@H](N)Cc3ccccc3)cc21
178292092	ZINC000236996937	ref	5.9	-51.95	1	361.49	1.979	2	5	5	CCO[C@H]1C[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)C12CCCC2
178292094	ZINC000236990435	ref	4.79	-61.8	1	367.515	1.503	2	3	10	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N[C@H](C[NH3+])C2CC2)cc1
178292096	ZINC000236986249	ref	4.93	-48.67	1	367.515	1.897	2	3	7	CC[NH2+]CCNC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C
365622652	ZINC000641587076	ref	5.97	-44.04	1	286.441	1.7	1	2	5	C=CCCCS(=O)(=O)N1CCC2(CC[NH+](C)CC2)C1
365622657	ZINC000641587076	high	3.59	-10.19	0	286.441	1.7	0	3	5	C=CCCCS(=O)(=O)N1CCC2(CCN(C)CC2)C1
365622661	ZINC000641590319	ref	3.46	-11.67	0	284.315	1.857	1	4	2	Cc1nc(-c2ccco2)ccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365622667	ZINC000641590441	ref	5.63	-33.91	1	279.359	1.91	1	3	4	CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2ccncc2F)C1
282120269	ZINC000424364136	high	4.9	-119.72	-2	335.372	2.443	0	4	7	CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-]
214189963	ZINC000293637601	ref	7.23	-44.22	1	363.389	0.93	1	5	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)C1
214189967	ZINC000293637601	mid	7.23	-46.75	1	363.389	0.93	2	4	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1
214189970	ZINC000293637601	mid	7.23	-44.22	1	363.389	0.93	2	4	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1
342598280	ZINC000590825590	ref	4.24	-14.3	0	279.296	1.89	2	4	2	Cc1cc(NC(=O)N2CC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-]
214189975	ZINC000293635925	ref	2.1	-15.62	0	364.427	0.73	1	6	4	C[C@@H]1CN(C(=O)CCn2cc(S(N)(=O)=O)cn2)Cc2ccccc2O1
214189980	ZINC000293636058	ref	6.36	-54.06	1	358.442	0.618	2	5	5	Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C
214189984	ZINC000293636058	mid	6.53	-51.86	1	358.442	0.618	2	5	5	Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C
214189986	ZINC000293636058	high	5.04	-20.56	0	358.442	0.618	1	6	5	Cc1nc2ccccc2c(=O)n1CC(=O)N1CC[C@@H](N(C)CCO)[C@H]1C
214189990	ZINC000293640465	ref	1.22	-21.85	0	359.395	0.969	0	5	2	C[C@@H]1[C@@H](C)[S@](=O)CCN1S(=O)(=O)c1cn(C)nc1C(F)(F)F
214189994	ZINC000293642119	ref	4.68	-27.63	0	365.415	0.633	2	7	7	CC(=O)c1ccc(S(=O)(=O)NCCC(=O)Nc2nc(C)n(C)n2)cc1
214189999	ZINC000293648382	ref	3.1	-16.16	0	355.402	0.698	2	7	5	Cc1nn(C)c2cc(NC(=O)C(=O)NCCCc3cnn(C)n3)ccc12
214190004	ZINC000293649047	ref	5.54	-15.1	0	361.402	0.963	2	7	6	COc1ccc([C@@H](OC)[C@H](C)NC(=O)C(=O)Nc2nc(C)n(C)n2)cc1
214190008	ZINC000293644803	ref	2.63	-16.75	0	352.456	0.975	2	4	8	C[C@@H](c1ccccc1)[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(N)=O
214190011	ZINC000293648798	ref	2.81	-14.57	0	358.391	0.82	1	5	4	COC(=O)c1cc(S(=O)(=O)N[C@H]2CCC(=O)N(C)C2)c(F)cc1C
365622630	ZINC000274316467	mid	3.67	-9.69	0	261.329	1.179	1	4	2	O=C(Nc1cncnc1)N1CCN(C2CCC2)CC1
197596862	ZINC000162861342	ref	7.19	-12.61	0	319.445	3.029	1	3	8	COc1ccc(CCCCCC(=O)N2CCC[C@H](CO)C2)cc1
197596864	ZINC000162857716	ref	8.92	-55.09	-1	305.359	2.465	0	7	6	COc1ccccc1-c1nnc(SCC(=O)[O-])n1C1CC1
185090052	ZINC000096076169	mid	6.04	-29.75	1	275.396	1.626	1	3	2	CN1CCOC[C@]2(CCC[N@H+](Cc3ccccn3)C2)C1
214190014	ZINC000293648798	high	3.1	-40.01	-1	358.391	0.82	0	5	4	COC(=O)c1cc(S(=O)(=O)[N-][C@H]2CCC(=O)N(C)C2)c(F)cc1C
349535784	ZINC000093300109	ref	0.69	-7.48	0	292.339	0.207	2	5	2	CCc1ncc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)cn1
342082553	ZINC000625329513	low	7.84	-82.29	2	250.39	1.726	1	2	6	CCN(Cc1c[nH+]cn1C)C[C@H]1CCC[N@@H+]1CC
197596879	ZINC000290104503	ref	4.68	-51.2	1	282.296	0.977	1	5	7	CO[C@H]1COC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-]
197596880	ZINC000290104503	high	3.42	-14.33	0	282.296	0.977	1	6	7	CO[C@H]1COC[C@@H]1NCCOc1ccccc1[N+](=O)[O-]
210256301	ZINC000019526922	ref	6.44	-22.45	0	385.468	0.913	0	5	3	CCN1C[C@H](C(=O)N2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)CC1=O
210256308	ZINC000019523645	ref	12.76	-45.0	1	394.563	3.705	1	3	5	CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C
342082554	ZINC000625329513	low	7.54	-79.29	2	250.39	1.726	1	2	6	CCN(Cc1c[nH+]cn1C)C[C@H]1CCC[N@H+]1CC
214189966	ZINC000278496189	low	-1.66	-15.53	0	313.291	1.127	1	8	5	COC(=O)c1coc(S(=O)(=O)Nc2nnc(C3CC3)o2)c1
214189971	ZINC000278494936	ref	7.86	-9.75	0	309.364	2.111	0	5	8	CN(CCN(C)c1ccccc1)Cc1ncnn1CC(F)F
197596886	ZINC000290107179	ref	2.22	-9.22	0	276.387	1.807	2	6	6	CC[C@@H](CNC(=O)Nc1nc(SC)ns1)OC
197596888	ZINC000290106680	ref	7.7	-15.02	0	281.359	1.693	1	3	6	C#Cc1ccccc1CC(=O)NCCCc1cnn(C)c1
342082555	ZINC000625329639	ref	3.96	-33.8	1	284.444	1.459	3	3	8	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H](O)CC1(O)CCC1
342082556	ZINC000625329639	mid	3.79	-32.28	1	284.444	1.459	3	3	8	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H](O)CC1(O)CCC1
342082557	ZINC000625329639	mid	3.96	-34.39	1	284.444	1.459	3	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@H](O)CC1(O)CCC1
342082558	ZINC000625329639	mid	3.55	-32.58	1	284.444	1.459	3	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H](O)CC1(O)CCC1
342082559	ZINC000032494518	ref	3.71	-15.26	0	270.31	1.295	1	6	3	COC(=O)c1cnc(NC(=O)C2CCOCC2)s1
342082560	ZINC000617965112	ref	4.56	-7.58	0	254.24	1.556	0	5	3	N#Cc1cc(N2CCC[C@@H](OC(F)F)C2)ncn1
342082561	ZINC000608876169	ref	7.52	-18.58	0	260.293	1.423	0	4	3	COC(=O)CN(C)C(=O)c1cccc2c1ccn2C
342082562	ZINC000625332320	ref	5.04	-49.41	1	288.457	1.682	1	2	4	C[C@@H]1CN(S(C)(=O)=O)CC[C@@H]1[NH2+]CC1CC(C)(C)C1
342082563	ZINC000625329602	ref	8.46	-40.02	1	279.432	1.913	1	4	7	CCN(Cc1c(C)nnn1CC)C[C@H]1CCC[N@@H+]1CC
342082564	ZINC000625329602	mid	5.79	-45.04	1	279.432	1.913	1	4	7	CCN(Cc1c(C)nnn1CC)C[C@H]1CCC[N@H+]1CC
342082565	ZINC000625329562	ref	8.57	-33.58	1	291.443	1.999	1	4	7	CCN(Cc1nc(C2CC2)nn1C)C[C@H]1CCC[N@@H+]1CC
398246432	ZINC000645407148	ref	6.53	-5.67	0	247.342	2.323	0	4	1	Cc1cc(N2C[C@H](C)OC3(CCCC3)C2)ncn1
342082566	ZINC000625329562	mid	7.39	-40.73	1	291.443	1.999	1	4	7	CCN(Cc1nc(C2CC2)nn1C)C[C@H]1CCC[N@H+]1CC
214189974	ZINC000278494936	low	9.83	-46.63	1	309.364	2.111	1	4	8	CN(CC[N@H+](C)Cc1ncnn1CC(F)F)c1ccccc1
214189977	ZINC000278494936	low	10.08	-46.98	1	309.364	2.111	1	4	8	CN(CC[N@@H+](C)Cc1ncnn1CC(F)F)c1ccccc1
214189981	ZINC000278494684	ref	6.13	-14.81	0	315.373	1.715	1	3	3	CC(C)[C@H]1CN(C(=O)CN2CCC(=O)NC2=O)c2ccccc21
214189988	ZINC000278495127	ref	6.89	-9.59	0	319.361	2.584	1	4	2	O=C(Nc1ccc(F)cn1)C(=O)N1CCC[C@H]1c1ccsc1
210256314	ZINC000019523645	mid	13.41	-53.75	1	394.563	3.705	1	3	5	CCc1nccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C
210256317	ZINC000019523645	mid	13.11	-80.27	2	394.563	3.705	1	2	5	CCc1[nH+]ccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@@H+]2C
342082567	ZINC000608879797	ref	4.33	-17.48	0	256.309	1.779	2	4	5	CC[C@@](C)(C#N)NC(=O)CNc1ccc(C#N)cc1
178292093	ZINC000133987926	ref	1.63	-10.47	0	243.284	0.974	0	4	2	Cc1cc2c(cc1S(=O)(=O)N(C)C)OCO2
210256321	ZINC000019523645	mid	13.77	-86.55	2	394.563	3.705	1	2	5	CCc1[nH+]ccn1CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C
210256326	ZINC000019524362	ref	10.18	-46.11	1	380.492	3.955	2	4	6	CCn1c(CNC(=O)c2ccc(C[NH+]3CCCCCC3)o2)nc2ccccc21
210256335	ZINC000019524362	mid	8.0	-10.25	0	380.492	3.955	1	5	6	CCn1c(CNC(=O)c2ccc(CN3CCCCCC3)o2)nc2ccccc21
210256342	ZINC000019526584	ref	9.56	-43.55	1	388.537	2.67	1	5	7	CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1
210256348	ZINC000019526584	high	7.11	-10.97	0	388.537	2.67	0	6	7	CCN(CCN(C)C)C(=O)c1cc(-c2ccccn2)c(N2CCOCC2)s1
210256354	ZINC000019524482	ref	8.47	-15.83	0	378.48	3.293	1	5	6	CCn1cc(CCC(=O)N2CCC[C@H]2c2n[nH]cc2-c2ccncc2)c(C)n1
210256362	ZINC000019524552	ref	10.36	-10.17	0	382.483	5.123	0	5	5	CCn1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1
210256370	ZINC000019524552	mid	12.48	-37.17	1	382.483	5.123	1	4	5	CCn1cc(C[N@@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1
349535787	ZINC000594970465	high	6.63	-9.32	0	269.373	2.833	1	4	3	C[C@H]1c2ccccc2C[C@H]1NCc1nc(C#N)cs1
365622635	ZINC000274316352	ref	8.62	-22.78	0	291.282	1.604	1	5	3	Cn1c(NC(=O)C[C@H]2COC(=O)C2)nc2ccc(F)cc21
365622638	ZINC000274314507	ref	6.09	-47.9	1	276.34	1.604	1	5	4	Cc1c(-c2cc(C[N@H+](C)[C@H]3CCOC3)on2)cnn1C
365622644	ZINC000274314507	mid	6.13	-47.67	1	276.34	1.604	1	5	4	Cc1c(-c2cc(C[N@@H+](C)[C@H]3CCOC3)on2)cnn1C
365622647	ZINC000274314507	mid	3.87	-9.86	0	276.34	1.604	0	6	4	Cc1c(-c2cc(CN(C)[C@H]3CCOC3)on2)cnn1C
185090055	ZINC000096076169	mid	5.61	-32.11	1	275.396	1.626	1	3	2	CN1CCOC[C@]2(CCC[N@@H+](Cc3ccccn3)C2)C1
185090057	ZINC000096076169	low	7.39	-97.37	2	275.396	1.626	2	2	2	C[N@@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccn3)C2)C1
365622651	ZINC000645272682	ref	3.94	-38.88	1	285.432	1.711	4	2	8	CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CC
214189978	ZINC000337634393	ref	4.75	-6.54	0	264.341	2.369	2	2	4	O=C(NC[C@@H]1CCCCS1)NC1(C(F)F)CC1
178292095	ZINC000029333190	ref	6.89	-5.51	0	210.276	3.466	1	1	0	Cc1cc2c(cc1O)CCc1ccccc1-2
214189982	ZINC000337635143	ref	5.75	-34.14	1	281.4	0.937	1	2	2	C[C@@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C
398246434	ZINC000650860226	ref	4.8	-16.53	0	299.273	1.846	1	4	4	O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCCO1
398246439	ZINC000650864663	ref	5.15	-16.68	0	284.31	1.605	1	4	5	CC[C@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(F)F
398246443	ZINC000650862814	ref	3.6	-9.01	0	272.345	1.167	1	4	5	O=C(NCCOC[C@H]1CCOC1)N1CCCCCO1
185090059	ZINC000096076169	low	7.75	-95.37	2	275.396	1.626	2	2	2	C[N@H+]1CCOC[C@]2(CCC[NH+](Cc3ccccn3)C2)C1
398246446	ZINC000650863081	ref	3.74	-10.8	0	274.336	1.183	1	3	5	O=C(NCCOC[C@H]1CCOC1)N1CCC[C@H](F)C1
398246450	ZINC000650864667	ref	5.5	-6.97	0	254.374	1.796	1	2	4	CCC[C@H](NC(=O)[C@@H]1CCN(C)C1=O)C(C)(C)C
365622654	ZINC000645272682	mid	3.2	-39.18	1	285.432	1.711	4	2	8	CCCC[N@H+]1CCCC[C@H]1CNC(=O)NC[C@H](O)CC
398246453	ZINC000650860465	ref	3.52	-14.38	0	299.273	1.703	1	4	4	O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCOC1
398246457	ZINC000650862858	ref	3.73	-9.24	0	282.384	1.671	2	3	7	O=C(NCCOC[C@@H]1CCOC1)NC1(C2CCC2)CC1
185090061	ZINC000096076169	low	7.91	-97.47	2	275.396	1.626	2	2	2	C[NH+]1CCOC[C@]2(CCC[N@H+](Cc3ccccn3)C2)C1
398246460	ZINC000650865369	ref	6.98	-9.91	0	273.34	1.827	1	5	3	C[C@@H](NC(=O)c1ccc(-n2ccnc2)nn1)C(C)(C)C
349535788	ZINC000093300011	ref	2.57	-8.77	0	287.319	0.726	2	4	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@@H]1O
178292097	ZINC000236987684	ref	4.45	-58.75	1	353.488	1.493	2	3	8	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@@H](C[NH3+])C2CC2)c1
365622639	ZINC000121831909	ref	5.96	-12.44	0	260.337	2.172	0	3	2	O=C(C1CCOCC1)N1CCC[C@H]1c1ccncc1
178292099	ZINC000236989776	ref	3.51	-56.69	1	353.488	1.555	3	3	8	CC[NH2+]CCNC(=O)c1ccc(C)c(S(=O)(=O)NC2CCCC2)c1
210256272	ZINC000428328515	low	2.34	-59.93	1	349.497	0.129	2	4	8	CC(C)C[C@@H](CNS(=O)(=O)[C@H](C)C(=O)N(C)C)[NH+]1CCOCC1
432002771	ZINC000129252032	ref	7.48	-9.92	0	312.504	3.212	1	4	7	CC[C@H](SC)C(=O)NCCCc1nc2c(s1)CCCC2
398246435	ZINC000645407148	low	6.96	-33.08	1	247.342	2.323	0	3	1	Cc1cc(N2C[C@H](C)OC3(CCCC3)C2)nc[nH+]1
365622641	ZINC000121833750	ref	6.87	-18.19	0	299.33	2.215	2	4	5	Cc1cc(CC(=O)Oc2ccc(NC(=O)C3CC3)cc2)[nH]n1
214189985	ZINC000337635143	high	3.95	-8.81	0	281.4	0.937	0	3	2	C[C@@H](C(=O)N1CC(=O)N(C)[C@H](C)C1)N1[C@H](C)CC[C@H]1C
398246438	ZINC000639101391	ref	2.31	-42.61	1	244.335	0.104	1	3	6	CO[C@@H](C[NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1CCOC1
214189989	ZINC000337636236	ref	9.22	-9.5	0	281.425	2.433	0	4	5	CSCC[C@H](C)N(C)C(=O)c1cn2c(n1)CCCC2
210256285	ZINC000428356434	ref	3.97	-20.25	0	335.404	0.476	2	5	9	CC(C)(O)CN(C(=O)COCC(=O)NCc1cccnc1)C1CC1
398246441	ZINC000639101391	high	1.54	-11.94	0	244.335	0.104	1	4	6	CO[C@@H](CN[C@@H](C)C(=O)N(C)C)[C@@H]1CCOC1
178292101	ZINC000236989879	ref	9.19	-42.36	1	366.469	1.583	1	5	8	CCN(Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1
178292103	ZINC000236989879	mid	8.87	-15.27	0	366.469	1.583	1	6	8	CCN(Cc1cnn(C)c1)C(=O)[C@@H](N)Cc1cn(Cc2ccccc2)cn1
214189992	ZINC000337635553	ref	5.82	-11.96	0	253.371	3.016	2	3	3	CCc1cnc(NC(=O)N[C@H]2CCC[C@@H]2C)s1
178292104	ZINC000236989879	low	9.73	-114.45	2	366.469	1.583	1	4	8	CCN(Cc1cnn(C)c1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)c[nH+]1
398246444	ZINC000004768428	ref	3.68	-11.6	0	214.294	0.825	1	5	4	CC(C)n1cnnc1S[C@H](C)C(N)=O
178292105	ZINC000236994723	ref	7.23	-47.29	1	365.518	1.831	2	3	7	CC[C@H](OC1CCCC1)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
398246448	ZINC000191994219	ref	4.79	-9.59	0	248.307	1.12	0	3	3	C#CCN(C)S(=O)(=O)c1ccc(C#N)cc1C
214189997	ZINC000337636464	ref	3.21	-17.54	0	271.361	0.579	2	3	5	COCC(=O)N1CCC(NC(=O)NCC(C)C)CC1
398246451	ZINC000645406963	ref	6.93	-106.97	2	240.391	1.874	1	2	6	COC(C)(C)[C@@H](C)[NH2+][C@@H]1CCN(CC2CC2)C1
398246454	ZINC000645406963	low	6.77	-105.87	2	240.391	1.874	2	1	6	COC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@H+](CC2CC2)C1
365622645	ZINC000121833750	mid	6.96	-19.59	0	299.33	2.215	2	4	5	Cc1cc(CC(=O)Oc2ccc(NC(=O)C3CC3)cc2)n[nH]1
365622649	ZINC000121836943	ref	6.88	-13.87	0	266.707	2.086	0	4	2	Fc1ccc(CN2CCn3cnnc3C2)cc1Cl
365622653	ZINC000121839112	ref	7.83	-12.11	0	263.312	2.278	0	2	1	C[C@@H]1CC[C@@H](C(=O)N2CCc3ccc(F)cc3C2)O1
185090063	ZINC000096076169	low	7.39	-97.4	2	275.396	1.626	2	2	2	C[NH+]1CCOC[C@]2(CCC[N@@H+](Cc3ccccn3)C2)C1
178292107	ZINC000236992762	ref	6.97	-51.03	1	357.462	1.359	3	6	8	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1
178292109	ZINC000236986060	ref	10.52	-66.69	-1	359.43	1.808	1	7	7	CCC[C@H](NC(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C)C(=O)[O-]
365622656	ZINC000121835289	ref	5.67	-41.11	1	288.395	2.291	1	4	7	C[C@H](Cn1cccn1)[NH2+]C[C@@H](c1ccco1)N1CCCC1
365622660	ZINC000121835289	high	4.36	-9.01	0	288.395	2.291	1	5	7	C[C@H](Cn1cccn1)NC[C@@H](c1ccco1)N1CCCC1
365622664	ZINC000121835559	ref	4.72	-43.2	1	278.396	2.396	2	2	8	CCC[C@@H]([NH3+])C(=O)NC[C@@H](CC)Oc1cccc(C)c1
365622666	ZINC000121835559	high	4.38	-7.3	0	278.396	2.396	2	3	8	CCC[C@@H](N)C(=O)NC[C@@H](CC)Oc1cccc(C)c1
365622672	ZINC000121836118	ref	3.02	-11.66	0	296.371	2.288	3	4	5	CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cn[nH]c1
365622676	ZINC000121836290	ref	3.79	-14.19	0	292.379	2.105	2	3	8	CC(C)C[C@@H](C)NC(=O)CCOc1ccc(C(N)=O)cc1
365622680	ZINC000121834010	ref	5.65	-54.42	1	274.389	2.291	1	2	6	C[S@](=O)C[C@@H]([NH2+]Cc1ccncc1)c1ccccc1
365622684	ZINC000121834010	mid	4.7	-13.53	0	274.389	2.291	1	3	6	C[S@](=O)C[C@@H](NCc1ccncc1)c1ccccc1
365638807	ZINC000274370395	ref	4.46	-10.72	0	289.364	1.892	1	5	2	O=C(Nc1cncnc1)N1CCN(c2cccs2)CC1
365638812	ZINC000637720460	ref	5.9	-12.75	0	259.313	1.657	0	5	5	CCCCN(C(=O)c1cnnn1C)c1ccccn1
365638814	ZINC000274368374	ref	2.64	-13.21	0	261.289	1.04	3	5	4	CCc1nnc([C@H](C)NC(=O)Nc2cncnc2)[nH]1
282120251	ZINC000151583062	ref	2.95	-12.15	0	311.426	2.491	3	4	7	CC[C@H](C)[C@](C)(O)CNC(=O)NC[C@@H](C)c1c(C)noc1C
365638816	ZINC000274368374	mid	2.15	-12.57	0	261.289	1.04	3	5	4	CCc1nc([C@H](C)NC(=O)Nc2cncnc2)n[nH]1
365638818	ZINC000274369208	ref	3.64	-8.56	0	283.393	1.597	1	4	4	Cc1ccc(CC(=O)N2CCOC[C@H]2C[C@@H](C)O)s1
365638821	ZINC000274367861	ref	6.02	-15.63	0	272.312	1.143	2	5	5	O=C(NCc1nnc(C2CC2)n1C1CC1)c1cnc[nH]1
210256293	ZINC000428327467	ref	1.71	-46.67	-1	349.4	0.625	0	4	5	CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)[N-]CC(F)(F)F
210256299	ZINC000428327467	low	2.6	-20.98	0	349.4	0.625	1	4	5	CC(C)N(C)C(=O)[C@H]1CSCN1S(=O)(=O)NCC(F)(F)F
214189987	ZINC000053597652	ref	10.98	-18.84	0	347.484	3.058	0	5	4	CCc1cc2c(=O)n(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)cnc2s1
398246456	ZINC000645406963	low	6.93	-106.97	2	240.391	1.874	2	1	6	COC(C)(C)[C@@H](C)[NH2+][C@@H]1CC[N@@H+](CC2CC2)C1
210256305	ZINC000428348251	ref	3.13	-17.08	0	328.438	0.902	3	4	6	CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCN1C(=O)CNC1=O
214189995	ZINC000053605650	ref	3.98	-18.72	0	334.38	0.816	2	8	7	CCCCn1c(N)c(N(C)Cc2noc(C3CC3)n2)c(=O)[nH]c1=O
214189998	ZINC000053589121	ref	5.18	-57.28	1	345.873	2.974	1	4	7	CS(=O)(=O)c1ccc(OCC[NH2+]Cc2ccc(Cl)s2)cc1
214190002	ZINC000053589121	high	3.83	-12.25	0	345.873	2.974	1	5	7	CS(=O)(=O)c1ccc(OCCNCc2ccc(Cl)s2)cc1
210256313	ZINC000428362315	ref	2.54	-21.29	0	328.438	0.278	2	5	4	CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCn2ccnc2C1
210256322	ZINC000428362315	low	3.0	-42.57	1	328.438	0.278	2	4	4	CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1
365622650	ZINC000354680476	ref	5.09	-48.18	1	297.443	1.663	3	2	6	C[C@H](CO)CCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C
365622655	ZINC000354681328	ref	5.29	-15.46	0	280.328	1.028	0	6	6	CCCCCC(=O)N1CC(n2cc(C(=O)OC)nn2)C1
290623032	ZINC000333958207	ref	6.81	-12.66	0	289.423	2.846	2	2	2	C[C@H]1CC[C@@](C)(C(=O)N[C@@H]2CCc3c[nH]nc3C2)C1(C)C
178292113	ZINC000237001113	ref	3.72	-56.65	1	361.467	1.504	3	3	9	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
214190007	ZINC000053601359	ref	4.43	-17.52	0	338.367	1.517	2	5	6	C[C@@H](NC(=O)c1cccc(OCc2cn3ccccc3n2)c1)C(N)=O
214190012	ZINC000053587731	ref	7.1	-42.09	1	348.668	3.416	1	2	6	Cc1cc(Br)cc(Cl)c1OCC[NH2+]C[C@@H]1CCOC1
185090064	ZINC000096076169	high	3.76	-4.77	0	275.396	1.626	0	4	2	CN1CCOC[C@]2(CCCN(Cc3ccccn3)C2)C1
185090065	ZINC000096076187	ref	5.78	-33.55	1	278.4	0.964	1	4	2	Cn1ccnc1CN1CCC[C@@]2(COCC[N@H+](C)C2)C1
342082568	ZINC000625332964	ref	4.29	-9.61	0	274.364	1.806	1	3	4	COC1CC(C(=O)N[C@H]2CCN(c3ccccc3)C2)C1
214190015	ZINC000053601973	ref	7.17	-9.41	0	343.427	3.732	2	5	4	Cc1nc(NCc2ccc(CO)c(F)c2)c2c3c(sc2n1)CCC3
210256334	ZINC000428358384	ref	3.3	-18.06	0	332.466	0.954	1	4	8	CC(C)(O)CN(C(=O)CCCS(=O)(=O)N1CCCC1)C1CC1
178292114	ZINC000236999746	ref	7.02	-88.6	2	353.47	1.54	3	3	6	CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cn2)CC1
178292115	ZINC000236999746	mid	6.7	-43.64	1	353.47	1.54	3	4	6	CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](N)c3ccccc3)cn2)CC1
178292118	ZINC000236999746	high	4.33	-8.61	0	353.47	1.54	2	5	6	CCN1CCN(c2ccc(CNC(=O)[C@@H](N)c3ccccc3)cn2)CC1
365622658	ZINC000274317008	ref	2.57	-12.34	0	275.268	1.654	0	8	4	Cc1noc(OCc2cc(-c3cnn(C)c3C)no2)n1
365622663	ZINC000414657855	ref	6.98	-72.16	0	284.4	1.722	1	3	6	CC(C)[C@@H](C(=O)[O-])N1CC[C@@H]([NH2+]CCC(C)(C)C)C1=O
349535789	ZINC000258970029	ref	8.37	-67.76	0	221.3	2.615	1	2	3	C[N@H+](Cc1ccc(C(=O)[O-])cc1)C(C)(C)C
349535796	ZINC000258970029	mid	8.37	-67.77	0	221.3	2.615	1	2	3	C[N@@H+](Cc1ccc(C(=O)[O-])cc1)C(C)(C)C
185090066	ZINC000096076187	mid	5.88	-36.14	1	278.4	0.964	1	4	2	Cn1ccnc1CN1CCC[C@@]2(COCC[N@@H+](C)C2)C1
185090068	ZINC000096076187	low	6.24	-81.23	2	278.4	0.964	1	3	2	Cn1cc[nH+]c1CN1CCC[C@@]2(COCC[N@H+](C)C2)C1
178292120	ZINC000237001221	ref	4.55	-54.32	1	353.488	1.203	2	3	8	CC[NH2+]CC1CCN(C(=O)CCNS(=O)(=O)c2ccccc2)CC1
185090070	ZINC000096076187	low	6.35	-81.56	2	278.4	0.964	1	3	2	Cn1cc[nH+]c1CN1CCC[C@@]2(COCC[N@@H+](C)C2)C1
185090071	ZINC000096076187	high	3.82	-7.93	0	278.4	0.964	0	5	2	CN1CCOC[C@@]2(CCCN(Cc3nccn3C)C2)C1
185090074	ZINC000096075249	ref	3.2	-37.36	1	291.399	0.586	3	3	4	CNC(=O)C[N@@H+]1CCCC12CCN(Cc1c[nH]cn1)CC2
365622669	ZINC000274316157	ref	7.01	-16.97	0	299.334	1.967	2	5	5	COCCn1c(NC(=O)c2c[nH]c(C)n2)nc2ccccc21
365622674	ZINC000274314697	ref	1.78	-13.7	0	274.361	1.476	0	4	6	CC(C)N(CCS(C)(=O)=O)Cc1cncc(F)c1
365622679	ZINC000274314697	low	3.53	-53.48	1	274.361	1.476	1	3	6	CC(C)[N@H+](CCS(C)(=O)=O)Cc1cncc(F)c1
365622683	ZINC000274314697	low	3.45	-53.38	1	274.361	1.476	1	3	6	CC(C)[N@@H+](CCS(C)(=O)=O)Cc1cncc(F)c1
365622686	ZINC000274317286	ref	4.32	-11.86	0	293.298	1.829	1	6	5	COC(=O)[C@H](NCc1nc(C)no1)c1ccc(F)c(C)c1
168365059	ZINC000044460759	ref	2.79	-53.47	1	177.207	1.112	1	3	2	C[C@@H]([NH3+])Cc1ccc2nonc2c1
185090075	ZINC000096075249	mid	3.2	-37.91	1	291.399	0.586	3	3	4	CNC(=O)C[N@H+]1CCCC12CCN(Cc1c[nH]cn1)CC2
365622689	ZINC000274318120	ref	4.93	-11.32	0	276.34	1.901	1	4	1	O=C(Nc1cncnc1)N1CCCC2(CCOCC2)C1
365622691	ZINC000274315836	ref	5.22	-18.31	0	294.38	1.363	1	5	4	CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)Nc1cnccn1
168365060	ZINC000310007439	ref	5.31	-36.85	1	226.364	1.927	2	1	6	CCC(CC)C[NH2+][C@H]1CCC[C@H]1C(=O)NC
398246458	ZINC000649444243	ref	7.47	-8.6	0	218.296	3.329	0	2	6	C=C(C)c1ccc(C(=O)CCCOC)cc1
398246461	ZINC000649444350	ref	7.46	-6.33	0	200.285	3.012	0	2	1	Cc1ccc(C)c(-c2cnn(C)c2C)c1
214189993	ZINC000278494495	ref	6.82	-9.72	0	321.328	2.813	0	7	4	CC(C)(C)c1cc(CSc2nnnn2CC(F)(F)F)no1
214189996	ZINC000278494904	ref	2.82	-7.68	0	304.346	1.101	2	4	2	C[C@@H]1COCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CCO2
214190000	ZINC000278495527	ref	6.32	-6.24	0	318.28	3.102	0	6	4	CN(Cc1cscn1)c1cc(C(F)(F)F)ncc1[N+](=O)[O-]
342082569	ZINC000625332322	ref	2.88	-13.23	0	286.382	1.399	1	6	5	CC(C)n1cnc(S(=O)(=O)NCc2ccns2)c1
214190010	ZINC000278495636	ref	9.36	-58.97	1	304.459	2.378	1	2	6	O=C1C[C@@H](C[NH2+]C[C@@H]2CCSC2)CN1Cc1ccccc1
214190018	ZINC000278494355	ref	1.95	-12.36	0	323.34	2.559	2	4	4	C[C@H](NC(=O)NCC1(C)COC1)c1nc(C(F)(F)F)cs1
214190025	ZINC000278494992	ref	5.65	-16.48	0	314.393	1.419	2	5	4	Cn1nccc1N1CCC[C@@H](NC(=O)c2c[nH]nc2C2CC2)C1
290623033	ZINC000492524242	high	3.18	-54.38	-1	290.363	2.123	1	4	7	COCCC1(CNC(=O)/C=C\c2cncc([O-])c2)CCC1
197596883	ZINC000162858207	ref	3.11	-9.1	0	313.419	2.32	1	4	5	CCOc1ccc(S(=O)(=O)NC2C[C@@H](C)O[C@H](C)C2)cc1
214190034	ZINC000278495999	ref	6.12	-11.37	0	302.403	2.198	1	5	5	C[C@H](Sc1nccnc1N)C(=O)N(C)Cc1ccccc1
342082570	ZINC000625332322	high	2.31	-48.84	-1	286.382	1.399	0	6	5	CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccns2)c1
342082571	ZINC000608879674	ref	5.2	-15.48	0	256.309	1.779	2	4	6	CCC[C@@H](C#N)NC(=O)CNc1ccc(C#N)cc1
342082572	ZINC000625329721	ref	3.38	-9.18	0	292.445	1.758	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCC(C)CC1)OCC
342082573	ZINC000625329601	ref	5.87	-46.73	1	279.432	1.913	1	4	7	CCN(Cc1c(C)nnn1CC)C[C@@H]1CCC[N@@H+]1CC
342082574	ZINC000625329601	mid	6.42	-41.39	1	279.432	1.913	1	4	7	CCN(Cc1c(C)nnn1CC)C[C@@H]1CCC[N@H+]1CC
342082575	ZINC000625332951	ref	1.69	-11.28	0	256.309	1.444	2	3	2	Cc1cnccc1C[N@@H+]1CCc2n[nH]c(=O)cc2C1
342082576	ZINC000625332951	mid	4.77	-60.9	1	256.309	1.444	2	3	2	Cc1cnccc1C[N@H+]1CCc2n[nH]c(=O)cc2C1
342082577	ZINC000625332951	mid	1.69	-11.28	0	256.309	1.444	1	4	2	Cc1cnccc1CN1CCc2n[nH]c(=O)cc2C1
342088492	ZINC000121506342	ref	6.5	-11.7	0	276.34	1.678	1	5	4	Cn1cncc1CCNC(=O)c1cc(C(C)(C)C)on1
290623034	ZINC000492526069	ref	5.48	-9.55	0	274.364	2.023	1	3	4	Cc1ccc(/C=C/C(=O)N(C)C[C@@H]2CCC[C@@H]2O)nc1
342598281	ZINC000590825517	ref	3.43	-13.16	0	288.355	1.94	2	5	4	CCn1nc(C)c(CNC(=O)Nc2cnc(C)nc2)c1C
398246459	ZINC000645407147	ref	6.48	-5.7	0	247.342	2.323	0	4	1	Cc1cc(N2C[C@@H](C)OC3(CCCC3)C2)ncn1
398246462	ZINC000645407147	low	6.91	-33.09	1	247.342	2.323	0	3	1	Cc1cc(N2C[C@@H](C)OC3(CCCC3)C2)nc[nH+]1
168365063	ZINC000083418094	ref	0.65	-38.74	1	178.235	0.675	2	1	3	C[C@@H]([NH3+])Cc1ccccc1C(N)=O
342598282	ZINC000590826286	ref	1.84	-10.57	0	262.313	1.246	3	4	5	O=C(NC[C@H](O)C1CC1)Nc1cnc(C2CC2)nc1
342598283	ZINC000590826860	ref	4.93	-12.2	0	276.34	1.997	1	4	3	COC1CCN(C(=O)Nc2cnc(C3CC3)nc2)CC1
342598284	ZINC000590825577	ref	4.22	-11.51	0	264.329	1.818	1	4	3	CCO[C@@H]1CCCN(C(=O)Nc2cnc(C)nc2)C1
197596893	ZINC000162855088	ref	6.79	-21.98	0	318.295	2.392	1	3	6	CCN(C)C(=O)c1cccc(C(=O)NOCCC(F)(F)F)c1
306234503	ZINC000557845600	ref	2.84	-58.14	1	327.388	1.216	4	3	4	O=C1NC(=O)C2(CCC([NH2+]CCc3c[nH]c4ncccc34)CC2)N1
168365065	ZINC000062237580	ref	-0.9	-91.0	1	132.163	-0.864	2	2	3	C[C@@H]([NH3+])C[C@H]([NH3+])C(=O)[O-]
168365066	ZINC000062237580	high	-1.19	-53.74	0	132.163	-0.864	2	3	3	C[C@@H]([NH3+])C[C@H](N)C(=O)[O-]
214190001	ZINC000337632802	ref	6.5	-38.72	1	278.444	2.342	1	3	4	Cc1nn(C)c(C)c1CN(C)C1CC[NH+](C(C)C)CC1
398246465	ZINC000189759915	ref	6.54	-35.2	1	231.336	1.542	1	3	8	CCOC(=O)C[N@H+](C[C@H](C)COC)C(C)C
342598285	ZINC000590825585	ref	4.04	-46.05	1	263.345	1.391	3	3	3	CC[N@@H+]1CCC[C@H](NC(=O)Nc2cnc(C)nc2)C1
342598286	ZINC000590825585	mid	4.57	-48.11	1	263.345	1.391	3	3	3	CC[N@H+]1CCC[C@H](NC(=O)Nc2cnc(C)nc2)C1
168365070	ZINC000019262212	ref	3.01	-44.5	1	169.199	1.552	1	1	3	C[C@@H]([NH3+])COc1cccc(F)c1
168365071	ZINC000033978783	ref	4.36	-43.97	1	175.231	2.323	1	1	2	C[C@@H]([NH3+])Cc1ccc2occc2c1
398246470	ZINC000189759915	mid	6.71	-34.06	1	231.336	1.542	1	3	8	CCOC(=O)C[N@@H+](C[C@H](C)COC)C(C)C
398246471	ZINC000189759915	mid	5.0	-5.78	0	231.336	1.542	0	4	8	CCOC(=O)CN(C[C@H](C)COC)C(C)C
168365077	ZINC000044461870	ref	1.34	-37.1	1	169.199	1.421	2	1	2	C[C@@H]([NH3+])Cc1c(O)cccc1F
210256360	ZINC000428362316	ref	2.26	-28.13	0	328.438	0.278	2	5	4	CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCn2ccnc2C1
168365079	ZINC000044461870	high	2.1	-39.78	0	169.199	1.421	1	1	2	C[C@@H]([NH3+])Cc1c([O-])cccc1F
168365081	ZINC000075110686	ref	-0.12	-43.83	1	155.197	1.05	2	2	3	C[C@@H]([NH3+])C[C@H](O)c1ccco1
342598287	ZINC000590825585	high	1.68	-10.87	0	263.345	1.391	2	4	3	CCN1CCC[C@H](NC(=O)Nc2cnc(C)nc2)C1
342600596	ZINC000617000164	mid	2.81	-38.48	1	281.356	1.533	2	4	4	COc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)on1
342600597	ZINC000590851658	ref	1.7	-19.46	0	286.295	1.864	2	6	4	Cc1noc(-c2ccc(NC(=O)N[C@H](C)CC#N)cn2)n1
349535791	ZINC000594972540	ref	5.61	-9.53	0	257.362	2.921	1	4	4	Cc1cc(C)cc(CNCc2nc(C#N)cs2)c1
210256365	ZINC000428362316	low	2.72	-42.05	1	328.438	0.278	2	4	4	CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N[C@H]1CCn2cc[nH+]c2C1
185090077	ZINC000096075249	mid	3.51	-38.98	1	291.399	0.586	3	3	4	CNC(=O)C[N@@H+]1CCCC12CCN(Cc1cnc[nH]1)CC2
214190003	ZINC000337632802	low	8.77	-105.99	2	278.444	2.342	2	2	4	Cc1nn(C)c(C)c1C[N@@H+](C)C1CC[NH+](C(C)C)CC1
282120252	ZINC000533440907	ref	5.21	-9.28	0	278.4	1.734	0	4	5	CCn1cc(CN(C)[C@H]2CCCN(C(C)C)C2=O)cn1
290623041	ZINC000334249054	ref	4.65	-11.94	0	265.338	0.877	1	5	2	C[C@H]1CC[C@@H]1NC(=O)c1cnc2n(c1=O)CCS2
168365064	ZINC000084406682	ref	4.9	-49.36	1	226.32	1.16	1	2	5	CCC(CC)C[NH2+][C@H]1CCC(=O)N(C)C1=O
342082578	ZINC000625333432	ref	0.68	-11.14	0	289.407	1.695	1	6	4	Cc1nc(S(=O)(=O)NCc2ccns2)sc1C
197596902	ZINC000290107922	ref	5.8	-11.15	0	282.343	3.259	2	3	4	C[C@H]1C[C@H]1c1ccc(CNc2cccc3c2CNC3=O)o1
282120257	ZINC000533440907	low	7.49	-40.54	1	278.4	1.734	1	3	5	CCn1cc(C[N@H+](C)[C@H]2CCCN(C(C)C)C2=O)cn1
197596906	ZINC000290104016	ref	5.86	-8.73	0	274.364	3.345	0	3	2	C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ocnc1C1CC1
185090079	ZINC000096075249	mid	3.51	-40.21	1	291.399	0.586	3	3	4	CNC(=O)C[N@H+]1CCCC12CCN(Cc1cnc[nH]1)CC2
185090080	ZINC000096075249	high	0.97	-12.6	0	291.399	0.586	2	4	4	CNC(=O)CN1CCCC12CCN(Cc1c[nH]cn1)CC2
282120261	ZINC000533440907	low	7.47	-36.48	1	278.4	1.734	1	3	5	CCn1cc(C[N@@H+](C)[C@H]2CCCN(C(C)C)C2=O)cn1
282123567	ZINC000533474102	ref	3.7	-7.77	0	291.391	1.599	2	3	4	C[C@H](O)[C@H]1CCCN(C(=O)[C@@](C)(O)Cc2ccccc2)C1
342082579	ZINC000625333432	mid	0.19	-45.1	-1	289.407	1.695	0	6	4	Cc1nc(S(=O)(=O)[N-]Cc2ccns2)sc1C
342082580	ZINC000238008010	ref	1.56	-49.93	1	262.353	1.314	3	2	5	[NH3+]CC1(C(=O)NCc2ccccc2CO)CCCC1
230233943	ZINC000331130873	low	2.46	-40.93	1	287.36	-1.075	2	4	6	CO[C@H]1C[N@@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1OC
342082581	ZINC000238013011	ref	5.44	-118.38	2	295.386	1.69	3	1	4	[NH3+][C@@H](CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1ccccc1
342082582	ZINC000238013011	mid	4.3	-58.18	1	295.386	1.69	3	2	4	[NH3+][C@@H](CNC(=O)[C@H]1NCCc2ccccc21)c1ccccc1
398249536	ZINC000381278000	ref	1.92	-87.49	2	211.353	0.657	3	0	4	[NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1
178292121	ZINC000236991965	ref	4.36	-46.77	1	373.544	1.579	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCC[NH2+]2)s1
210256385	ZINC000428344640	ref	5.39	-21.57	0	343.343	0.652	2	6	5	O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2ccnc2C1
210256391	ZINC000428344640	low	5.86	-44.53	1	343.343	0.652	2	5	5	O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)N[C@@H]1CCn2cc[nH+]c2C1
178292123	ZINC000236991965	high	3.03	-16.41	0	373.544	1.579	2	5	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCCCN2)s1
178292124	ZINC000236987819	ref	7.41	-58.64	-1	354.353	1.796	1	4	5	CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)C(=O)[O-]
214190006	ZINC000337632802	low	8.75	-105.0	2	278.444	2.342	2	2	4	Cc1nn(C)c(C)c1C[N@H+](C)C1CC[NH+](C(C)C)CC1
214190009	ZINC000337634012	ref	8.17	-8.84	0	283.253	3.171	2	2	3	C[C@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)c1ccccc1
214190013	ZINC000337634012	mid	8.08	-8.06	0	283.253	3.171	2	2	3	C[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)c1ccccc1
210256396	ZINC000428361268	ref	1.09	-15.26	0	335.47	0.771	2	4	6	CNS(=O)(=O)C[C@H]1CCCN1C(=O)NC[C@H](OC)C(C)(C)C
178292125	ZINC000236997100	ref	3.21	-53.68	1	353.488	1.461	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1
178292129	ZINC000236987544	ref	4.06	-55.5	1	353.488	1.493	2	3	8	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@H]([NH3+])C2CC2)c1
178292131	ZINC000236991578	ref	6.79	-98.88	2	354.41	1.867	3	4	6	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc21
342082583	ZINC000238013011	high	3.86	-9.11	0	295.386	1.69	3	3	4	N[C@@H](CNC(=O)[C@H]1NCCc2ccccc21)c1ccccc1
214190016	ZINC000337633932	ref	5.6	-8.64	0	298.333	3.243	2	2	6	CCOc1cccc([C@@H](C)NC(=O)NC2(C(F)F)CC2)c1
343994371	ZINC000139348494	ref	4.13	-3.17	0	177.247	2.452	1	2	4	C=C[C@H](C)N(O)Cc1ccccc1
342082584	ZINC000625333300	ref	2.67	-10.92	0	289.426	1.599	1	4	5	CCC1CCN(S(=O)(=O)NCc2ccns2)CC1
168365069	ZINC000133369079	ref	5.77	-38.73	1	212.362	3.23	1	2	6	CCC(CC)C[NH2+][C@H](C)c1cncs1
168365072	ZINC000353235296	ref	8.5	-40.97	1	247.382	3.844	1	1	5	CCC(CC)C[NH2+][C@H]1CCOc2c(C)cccc21
346818917	ZINC000611565526	mid	5.59	-51.06	1	263.341	1.402	3	2	6	CCC[N@@H+](CC(=O)NC(N)=O)Cc1ccc(C)cc1
168365076	ZINC000037016827	ref	7.36	-42.61	1	210.325	1.902	1	3	6	CCC(CC)C[NH2+][C@H](C)c1nncn1C
346818923	ZINC000611565526	mid	3.53	-18.48	0	263.341	1.402	2	3	6	CCCN(CC(=O)NC(N)=O)Cc1ccc(C)cc1
168365078	ZINC000037016827	high	7.4	-9.66	0	210.325	1.902	1	4	6	CCC(CC)CN[C@H](C)c1nncn1C
168365080	ZINC000037069942	ref	7.3	-3.17	0	229.726	4.327	1	1	5	CCC(CC)CNc1ccc(Cl)c(F)c1
342082585	ZINC000625333350	ref	1.54	-14.7	0	278.399	1.233	1	5	7	CO[C@@H](CS(=O)(=O)NCc1ccns1)C(C)C
342082586	ZINC000625333350	high	1.14	-41.12	-1	278.399	1.233	0	5	7	CO[C@@H](CS(=O)(=O)[N-]Cc1ccns1)C(C)C
168365090	ZINC000124297750	ref	7.1	-39.08	1	201.379	2.908	1	1	5	CCC(CC)C[NH2+][C@H]1CCCSC1
342082587	ZINC000625333605	ref	7.1	-20.05	0	282.347	1.358	2	3	4	Cc1nnc(CCNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)[nH]1
210256402	ZINC000428371964	ref	-3.52	-16.42	0	330.454	0.342	1	6	7	CCCc1nc(C)c(CN2CCN(CCS(N)(=O)=O)CC2)o1
343994372	ZINC000079932931	ref	6.37	-6.69	0	263.288	2.439	0	4	1	FC(F)(F)c1ccnc(N2CCCSCC2)n1
365622659	ZINC000354680450	ref	1.44	-12.33	0	281.352	1.747	3	4	8	CC[C@H](O)CCCNC(=O)[C@@H](OC)c1ccc(O)cc1
214190017	ZINC000293649035	ref	5.54	-16.33	0	359.386	0.71	2	7	4	COc1cc2c(cc1CNC(=O)C(=O)Nc1nc(C)n(C)n1)O[C@@H](C)C2
342082588	ZINC000625333605	mid	6.73	-16.21	0	282.347	1.358	2	3	4	Cc1n[nH]c(CCNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)n1
214190021	ZINC000293637608	ref	7.36	-46.38	1	363.389	0.93	1	5	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)C1
365622662	ZINC000354681409	ref	1.52	-13.77	0	290.41	1.512	1	4	4	CC(C)[C@@H](C)N(C)C(=O)c1ccc(S(N)(=O)=O)s1
168365097	ZINC000020186865	ref	2.8	-8.43	0	245.326	3.585	1	4	6	CCC(CC)CNc1ccc(-c2nnco2)cc1
197596905	ZINC000162858762	ref	6.76	-10.95	0	315.442	3.422	1	4	4	CCc1ncsc1C(=O)N1CCC[C@@H](Nc2ccccc2)C1
210256410	ZINC000428371964	low	-0.76	-51.85	1	330.454	0.342	2	5	7	CCCc1nc(C)c(C[NH+]2CCN(CCS(N)(=O)=O)CC2)o1
168365099	ZINC000021518174	ref	8.18	-2.06	0	225.763	4.497	1	1	5	CCC(CC)CNc1ccc(Cl)cc1C
210256310	ZINC000265955821	ref	3.28	-17.54	0	368.459	0.482	1	4	4	C[C@@H](NC(=O)N1CCN(C)C(=O)C1)c1cccc(S(=O)(=O)N(C)C)c1
214190024	ZINC000293637608	mid	7.36	-47.3	1	363.389	0.93	2	4	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@@H+](C)C3)C1
168365102	ZINC000037056382	ref	7.49	-2.14	0	229.726	4.327	1	1	5	CCC(CC)CNc1ccc(Cl)cc1F
168365105	ZINC000083344891	ref	5.63	-1.91	0	206.333	3.425	2	2	5	CCC(CC)CNc1c(C)cccc1N
168365107	ZINC000020121094	ref	6.83	-42.51	1	206.333	3.168	1	1	6	CCC(CC)C[NH2+][C@H](C)c1ccncc1
342082589	ZINC000625333411	ref	1.42	-13.59	0	286.382	1.399	1	6	5	CC(C)n1cc(S(=O)(=O)NCc2ccns2)cn1
214190019	ZINC000053600539	ref	7.29	-11.4	0	345.489	3.629	2	4	5	O=C(NC[C@@H](O)c1ccccc1)c1ccc(C2SCCS2)cc1
398246463	ZINC000650865369	low	7.54	-37.85	1	273.34	1.827	1	4	3	C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)nn1)C(C)(C)C
168365083	ZINC000082531299	ref	3.88	-40.37	1	199.681	2.204	1	1	4	C[C@@H]([NH3+])COCc1ccc(Cl)cc1
398246466	ZINC000650861298	ref	4.52	-16.09	0	287.262	1.703	1	4	6	CCOCC(=O)NCCc1ccc2c(c1)OC(F)(F)O2
342082590	ZINC000608886456	ref	5.42	-20.84	0	286.335	1.578	3	4	4	Cn1ccc2c(NCC(=O)NC(=O)NC3CC3)cccc21
168365084	ZINC000107336503	ref	4.09	-33.74	1	177.247	1.511	1	1	2	C[C@@H]([NH3+])Cc1cccc2c1OCC2
342082591	ZINC000625333347	ref	5.58	-35.71	1	255.358	1.46	1	3	6	COCC1=CC[N@H+](CCOC2CCOCC2)CC1
398246468	ZINC000650862527	ref	2.73	-15.59	0	293.342	1.321	3	2	6	NC(=O)[C@H]1C[C@@H](NC(=O)NCCCc2cccc(F)c2)C1
342082592	ZINC000625333347	mid	5.92	-36.22	1	255.358	1.46	1	3	6	COCC1=CC[N@@H+](CCOC2CCOCC2)CC1
398246473	ZINC000650862906	ref	4.61	-14.1	0	290.367	1.555	2	4	5	Cc1cccc2nc(CNC(=O)N(C)[C@H](C)CCO)cn12
398246476	ZINC000650862906	low	5.05	-33.44	1	290.367	1.555	2	3	5	Cc1cccc2[nH+]c(CNC(=O)N(C)[C@H](C)CCO)cn12
178292140	ZINC000295510450	ref	4.57	-6.07	0	249.31	2.702	1	4	2	Cc1cc2c(cc1N[C@@H]1C[C@H](C)O[C@H]1C)OCO2
168365086	ZINC000019257165	ref	3.09	-37.71	1	157.257	1.683	1	1	3	C[C@@H]([NH3+])COC1CCCCC1
398246479	ZINC000650864668	ref	5.5	-6.86	0	254.374	1.796	1	2	4	CCC[C@@H](NC(=O)[C@@H]1CCN(C)C1=O)C(C)(C)C
178292143	ZINC000003122375	ref	7.44	-3.07	0	246.394	4.397	1	1	1	Cc1cc2c(cc1[C@@H](C)O)C(C)(C)CCC2(C)C
398246482	ZINC000650863034	ref	3.03	-9.84	0	272.389	1.773	2	3	6	C[C@@H](NC(=O)NCCOC[C@@H]1CCOC1)C(C)(C)C
214190026	ZINC000053603010	ref	5.4	-13.37	0	330.432	3.352	1	5	8	CCCN(CC(=O)Nc1ccccc1C)Cc1noc(C(C)C)n1
214190032	ZINC000053607546	ref	1.14	-10.77	0	333.388	2.259	1	7	5	COc1ccc(OC)c2c1CN(Cc1noc(C(C)C)n1)C[C@@H]2O
214190037	ZINC000053599789	ref	6.89	-12.49	0	325.372	2.429	1	7	6	COc1ccnc(N[C@@H](c2ccccc2OC)c2nccn2C)n1
214190038	ZINC000053599789	low	7.17	-28.98	1	325.372	2.429	1	6	6	COc1ccnc(N[C@@H](c2ccccc2OC)c2[nH+]ccn2C)n1
342082593	ZINC000625333347	high	3.23	-5.5	0	255.358	1.46	0	4	6	COCC1=CCN(CCOC2CCOCC2)CC1
168365088	ZINC000074308520	ref	3.82	-33.46	1	175.235	1.453	2	1	2	C[C@@H]([NH3+])Cc1cccc2[nH]cnc12
168365089	ZINC000074308520	mid	3.96	-46.92	1	175.235	1.453	2	1	2	C[C@@H]([NH3+])Cc1cccc2nc[nH]c12
219048585	ZINC000097694887	ref	4.05	-59.1	1	342.399	0.862	2	5	4	COc1cccc2c1OC[C@@H](C(=O)NCc1cc3n(n1)CC[NH2+]C3)C2
197596907	ZINC000162857154	ref	7.82	-13.46	0	321.396	2.539	1	2	4	CCN(C(=O)N[C@H]1CCC(=O)N(C)C1)[C@H](C)c1ccc(F)cc1
214190020	ZINC000337633385	ref	2.32	-39.74	1	275.393	0.367	3	3	10	CC[N@H+](CCNC(=O)N(C)CCOCCO)C(C)C
219048586	ZINC000097694887	mid	2.69	-12.27	0	342.399	0.862	2	6	4	COc1cccc2c1OC[C@@H](C(=O)NCc1cc3n(n1)CCNC3)C2
168365091	ZINC000074308520	low	4.43	-101.63	2	175.235	1.453	2	0	2	C[C@@H]([NH3+])Cc1cccc2[nH+]c[nH]c12
168365092	ZINC000044463436	ref	2.11	-41.69	1	154.188	1.11	1	1	2	C[C@@H]([NH3+])Cc1cccc(F)n1
342082594	ZINC000618607519	ref	4.61	-14.69	0	260.284	1.16	1	2	5	C[C@]1(CNC(=O)CCN2CCCC2=O)CC1(F)F
349535792	ZINC000618814440	ref	6.34	-10.01	0	250.346	1.744	0	4	5	CN(Cc1cn(C)nn1)C(=O)CCC1CCCC1
168365095	ZINC000169724917	ref	0.78	-41.35	1	176.31	1.17	1	3	2	C[C@@H]([NH3+])CSC1=NCCS1
342082595	ZINC000312543502	ref	4.27	-12.86	0	276.296	1.215	0	7	5	CCOC(=O)c1nnn(Cc2cnccc2OC)c1C
219048588	ZINC000097696151	ref	6.1	-13.15	0	334.379	2.72	1	4	4	COc1ccc(-c2cc(C(=O)N3CC(c4ccccn4)C3)[nH]n2)cc1
214190023	ZINC000337633385	mid	2.25	-40.0	1	275.393	0.367	3	3	10	CC[N@@H+](CCNC(=O)N(C)CCOCCO)C(C)C
219048590	ZINC000097696151	mid	6.15	-13.53	0	334.379	2.72	1	4	4	COc1ccc(-c2cc(C(=O)N3CC(c4ccccn4)C3)n[nH]2)cc1
219048592	ZINC000097696108	ref	7.67	-56.59	0	334.416	1.93	1	5	7	COc1cc(OC)c(CN2CC[NH+](CC3CC3)CC2)c(C(=O)[O-])c1
219048593	ZINC000097696108	high	5.39	-51.19	-1	334.416	1.93	0	6	7	COc1cc(OC)c(CN2CCN(CC3CC3)CC2)c(C(=O)[O-])c1
229487831	ZINC000310073887	ref	4.35	-11.61	0	237.274	1.68	1	2	5	CN(CCCO)C(=O)/C=C\c1ccc(F)cc1
168365100	ZINC000003640511	ref	-0.4	-58.63	1	177.269	0.158	1	2	2	C[C@@H]([NH3+])C[C@@H]1CCS(=O)(=O)C1
342082596	ZINC000312543502	low	4.73	-49.06	1	276.296	1.215	0	6	5	CCOC(=O)c1nnn(Cc2c[nH+]ccc2OC)c1C
342082597	ZINC000625333236	ref	2.95	-13.98	0	293.429	1.68	1	4	9	CCC[C@H](CNS(=O)(=O)C[C@H]1CCCCO1)OCC
168365103	ZINC000044469212	ref	-3.85	-96.28	2	117.196	-0.99	3	1	3	C[C@@H]([NH3+])C[C@@H](N)C[NH3+]
168365104	ZINC000044469212	low	-3.47	-215.16	3	117.196	-0.99	3	0	3	C[C@@H]([NH3+])C[C@@H]([NH3+])C[NH3+]
168365106	ZINC000004414699	ref	4.41	-39.59	1	178.279	1.642	1	1	3	C[C@@H]([NH3+])Cc1ccc(N(C)C)cc1
214190027	ZINC000337633213	ref	1.59	-13.95	0	281.316	0.706	2	5	7	CCCc1n[nH]c(C(=O)NCCN2CCC2)c1[N+](=O)[O-]
342082598	ZINC000238030990	ref	3.73	-95.39	2	261.369	1.274	2	1	4	[NH3+]CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1
168365108	ZINC000035284417	ref	7.34	-1.69	0	229.726	4.327	1	1	5	CCC(CC)CNc1cc(Cl)ccc1F
343994374	ZINC000599271713	ref	0.73	-12.81	0	295.408	1.646	1	6	6	CN(Cc1cscn1)C[C@@H](O)CC1(C#N)CCOCC1
343994377	ZINC000599271713	low	3.13	-48.82	1	295.408	1.646	2	5	6	C[N@@H+](Cc1cscn1)C[C@@H](O)CC1(C#N)CCOCC1
168365113	ZINC000021049691	ref	7.83	-1.31	0	246.181	4.842	1	1	5	CCC(CC)CNc1cc(Cl)ccc1Cl
168365117	ZINC000336753514	ref	5.2	-35.74	1	212.381	2.495	1	1	5	CCC(CC)C[NH2+][C@H]1CCCN(C)[C@H]1C
168365120	ZINC000336753514	low	7.24	-103.88	2	212.381	2.495	2	0	5	CCC(CC)C[NH2+][C@H]1CCC[N@H+](C)[C@H]1C
398249537	ZINC000335893422	ref	3.51	-9.1	0	234.274	1.918	0	3	2	C[C@H]1COCCN1Cc1cccc(F)c1C#N
168365122	ZINC000336753514	low	7.46	-103.89	2	212.381	2.495	2	0	5	CCC(CC)C[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C
168365125	ZINC000336645809	ref	3.84	-30.7	1	201.354	2.419	2	1	7	CCC(CC)C[NH2+][C@](C)(CO)C(C)C
282120256	ZINC000418353371	ref	6.03	-88.97	2	296.459	1.487	3	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)C1
197596930	ZINC000290106549	ref	4.17	-9.86	0	267.281	0.776	0	5	3	COC(=O)Cc1occ(C)c1C(=O)N1CCOCC1
168365129	ZINC000080678620	ref	1.68	-7.46	0	222.292	1.424	2	4	6	CCC(CC)CNc1ccc(C(N)=O)nn1
342082599	ZINC000238030990	high	3.4	-51.6	1	261.369	1.274	2	2	4	N[C@@H](CC(=O)N1CCC(C[NH3+])CC1)c1ccccc1
168365136	ZINC000310035633	ref	5.91	-42.91	1	221.348	2.293	2	1	5	CCC(CC)C[NH2+][C@H]1CCc2c[nH]nc2C1
197600978	ZINC000162934939	ref	6.16	-10.06	0	305.3	3.071	2	3	5	O=C(NOCCC(F)(F)F)c1cc(C2CCCCC2)n[nH]1
342082600	ZINC000625333185	ref	1.63	-13.2	0	279.402	1.147	1	4	9	CCC[C@H](CNS(=O)(=O)C[C@@H]1CCOC1)OCC
342082601	ZINC000238017172	low	8.54	-99.93	2	299.418	1.428	2	1	3	O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CC2CC2)CC1
342082602	ZINC000238017172	high	5.07	-8.64	0	299.418	1.428	1	3	3	O=C([C@H]1NCCc2ccccc21)N1CCN(CC2CC2)CC1
342082603	ZINC000608886443	ref	7.64	-46.58	1	295.383	1.728	2	4	5	COC(=O)c1cc(NC(=O)C[N@H+](C)CC(C)(C)C)cn1C
342082604	ZINC000608886443	mid	7.48	-46.8	1	295.383	1.728	2	4	5	COC(=O)c1cc(NC(=O)C[N@@H+](C)CC(C)(C)C)cn1C
342082605	ZINC000608886443	mid	6.22	-17.47	0	295.383	1.728	1	5	5	COC(=O)c1cc(NC(=O)CN(C)CC(C)(C)C)cn1C
342082606	ZINC000625333871	ref	3.94	-39.02	1	299.459	1.334	2	3	10	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)C(=O)NCCCOC
342082607	ZINC000625333871	mid	4.21	-39.36	1	299.459	1.334	2	3	10	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)C(=O)NCCCOC
342082610	ZINC000625333871	high	1.59	-7.24	0	299.459	1.334	1	4	10	CCN1CCC[C@H]1CN(CC)[C@H](C)C(=O)NCCCOC
365622665	ZINC000354681101	ref	2.35	-14.41	0	289.379	1.204	2	3	5	CCC(=O)N[C@H]1CCCN([C@@H](C(N)=O)c2ccccc2)C1
342082611	ZINC000618607520	ref	4.6	-13.71	0	260.284	1.16	1	2	5	C[C@@]1(CNC(=O)CCN2CCCC2=O)CC1(F)F
168365110	ZINC000020446043	ref	2.44	-45.81	1	187.246	1.519	1	2	2	C[C@@H]([NH3+])Cc1ccc2nccnc2c1
168365111	ZINC000038885764	ref	2.34	-37.54	1	164.252	1.123	2	1	4	C[C@@H]([NH3+])CNCc1ccccc1
365622668	ZINC000354681101	low	4.13	-44.71	1	289.379	1.204	3	2	5	CCC(=O)N[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccccc2)C1
178292130	ZINC000082784253	ref	2.45	-14.21	0	277.367	1.28	1	5	5	CC[C@H](C)OC(=O)Cc1ccc(S(N)(=O)=O)s1
168365112	ZINC000038885764	mid	3.6	-123.9	2	164.252	1.123	2	0	4	C[C@@H]([NH3+])C[NH2+]Cc1ccccc1
168365114	ZINC000038885764	high	3.25	-39.01	1	164.252	1.123	2	1	4	C[C@@H](N)C[NH2+]Cc1ccccc1
168365115	ZINC000039416215	ref	-2.76	-36.44	1	89.142	-1.203	3	2	2	C[C@@H]([NH3+])CNN
342082612	ZINC000618182722	ref	5.21	-15.98	0	299.436	1.85	0	3	2	O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CCCCC2)C1
178292139	ZINC000082784252	ref	2.45	-14.21	0	277.367	1.28	1	5	5	CC[C@@H](C)OC(=O)Cc1ccc(S(N)(=O)=O)s1
343994375	ZINC000139338560	ref	5.55	-4.94	0	192.592	3.017	0	1	2	CCOc1c(Cl)ccc(F)c1F
365622670	ZINC000354681101	low	4.66	-43.4	1	289.379	1.204	3	2	5	CCC(=O)N[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccccc2)C1
342082614	ZINC000048304176	ref	3.37	-11.31	0	254.355	1.848	1	4	6	CSCC(=O)NCc1cccnc1OC(C)C
346818924	ZINC000589951188	ref	8.1	-14.81	0	287.319	3.427	0	5	4	C[C@@H]1C[C@@H]1c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1
168365118	ZINC000020446029	ref	2.15	-57.58	1	197.238	-1.026	1	4	2	C[C@@H]([NH3+])Cc1cn(C)c(=O)n(C)c1=O
178292151	ZINC000082784250	ref	3.06	-12.22	0	291.756	1.943	1	4	4	CC[C@@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
342082616	ZINC000625333709	ref	3.76	-17.49	0	270.239	1.616	2	4	5	Cc1nnc(CCNC(=O)c2ccc(C(F)F)o2)[nH]1
398246464	ZINC000649444340	ref	5.03	-8.34	0	229.279	2.024	1	2	2	C=C(C)c1ccc([C@@]2(C)CC(=O)NC2=O)cc1
365622675	ZINC000354681326	ref	5.37	-14.58	0	256.269	1.252	3	4	4	O=C(CCc1ncc[nH]1)Nc1nc2cccnc2[nH]1
342082617	ZINC000625333709	mid	3.39	-13.96	0	270.239	1.616	2	4	5	Cc1n[nH]c(CCNC(=O)c2ccc(C(F)F)o2)n1
168365121	ZINC000039084027	ref	3.23	-55.52	0	194.234	1.144	2	3	4	C[C@@H]([NH3+])CNc1ccccc1C(=O)[O-]
168365123	ZINC000019844372	ref	4.31	-47.38	1	180.207	1.485	1	2	3	C[C@@H]([NH3+])Cc1ccccc1[N+](=O)[O-]
168365124	ZINC000011596632	ref	4.53	-40.25	1	169.655	2.23	1	0	2	C[C@@H]([NH3+])Cc1cccc(Cl)c1
168365126	ZINC000044461317	ref	0.7	-42.99	1	151.213	0.554	2	2	2	C[C@@H]([NH3+])Cc1ccncc1N
168365127	ZINC000044461317	low	1.15	-93.49	2	151.213	0.554	2	1	2	C[C@@H]([NH3+])Cc1cc[nH+]cc1N
178292133	ZINC000236991578	high	4.32	-63.06	1	354.41	1.867	2	5	6	CN(C)CCn1c(=O)oc2ccc(NC(=O)c3ccc(C[NH3+])cc3)cc21
178292135	ZINC000237000932	ref	4.29	-55.23	1	353.488	1.589	2	3	7	CC[NH2+]CCNC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1
178292137	ZINC000236995976	ref	3.78	-60.55	1	367.515	1.995	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1
178292138	ZINC000236995976	high	3.85	-12.98	0	367.515	1.995	2	4	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(N)CCCCC2)cc1
178292141	ZINC000236986889	ref	5.65	-54.91	1	367.515	1.848	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1
136228549	ZINC000283269544	ref	4.84	-5.04	0	238.331	1.47	1	2	3	C=CCN(C)C(=O)C(=O)NC1CCCCCC1
178292144	ZINC000236986889	high	4.4	-12.28	0	367.515	1.848	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1
178292146	ZINC000236988139	ref	4.46	-55.09	1	367.515	1.883	2	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1
365622671	ZINC000641590441	low	6.1	-95.78	2	279.359	1.91	1	2	4	CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc[nH+]cc2F)C1
365622673	ZINC000641590441	high	4.1	-3.36	0	279.359	1.91	0	4	4	CO[C@H]1C[C@@H](CN2CCCC2)N(c2ccncc2F)C1
398246467	ZINC000649444228	ref	4.05	-6.56	0	212.676	2.744	1	2	4	C=C(C)c1ccc(Cl)c(OCCO)c1
398246469	ZINC000649444345	ref	6.4	-7.58	0	201.273	2.353	0	3	2	CCc1cccc(-c2cnn(C)c2C)n1
398246472	ZINC000649444199	ref	7.69	-8.63	0	230.307	3.329	0	2	3	C=C(C)c1cccc(C(=O)C2CCOCC2)c1
136228550	ZINC000230483870	ref	8.2	-6.93	0	215.3	3.165	2	2	4	CCC1(CNc2nc3ccccc3[nH]2)CC1
166172941	ZINC000005442026	ref	4.67	-6.45	0	141.214	1.429	0	1	3	C=CCN(C(C)=O)C(C)C
166172949	ZINC000042171728	ref	4.9	-33.93	1	194.322	1.802	1	1	7	C=CCN(CC=C)CC[C@@H]1CCC[NH2+]1
166172953	ZINC000042171728	mid	6.76	-102.46	2	194.322	1.802	2	0	7	C=CC[NH+](CC=C)CC[C@@H]1CCC[NH2+]1
166172956	ZINC000049573377	ref	4.86	-5.12	0	183.251	1.2	0	3	6	C=CCN(CC(=O)OCC)C1CC1
166172960	ZINC000049573377	low	7.2	-31.48	1	183.251	1.2	1	2	6	C=CC[N@@H+](CC(=O)OCC)C1CC1
166172961	ZINC000049573377	low	7.02	-31.51	1	183.251	1.2	1	2	6	C=CC[N@H+](CC(=O)OCC)C1CC1
166172964	ZINC000061172442	ref	5.44	-33.2	0	157.213	0.967	1	2	4	C=CC[N@@H+](C)C(C)(C)C(=O)[O-]
166172973	ZINC000061172442	mid	5.52	-31.85	0	157.213	0.967	1	2	4	C=CC[N@H+](C)C(C)(C)C(=O)[O-]
166172976	ZINC000167473106	ref	4.75	-36.44	1	196.294	1.019	1	1	3	C=CCN(C)C(=O)[C@H]1C[C@@H](C)CC[NH2+]1
166172978	ZINC000167473106	high	3.47	-7.02	0	196.294	1.019	1	2	3	C=CCN(C)C(=O)[C@H]1C[C@@H](C)CCN1
197596914	ZINC000162852753	ref	6.19	-9.05	0	307.415	2.35	0	4	2	COc1cc(C(=O)N2CCS[C@H]3COCC[C@H]32)ccc1C
342598288	ZINC000590826000	ref	4.93	-18.84	0	286.339	1.681	2	5	5	Cc1nccn1CCNC(=O)Nc1cnc(C2CC2)nc1
342598289	ZINC000590826000	mid	5.4	-41.73	1	286.339	1.681	2	4	5	Cc1[nH+]ccn1CCNC(=O)Nc1cnc(C2CC2)nc1
197596921	ZINC000162855217	ref	5.84	-20.05	0	308.309	2.412	0	5	5	COc1cc(F)c(C(=O)N(C)Cc2cc(C)on2)cc1OC
398246474	ZINC000645407091	ref	3.3	-31.28	1	204.273	0.998	2	2	4	CC#CC[C@@H](CO)Nc1cc[nH+]cc1C
342598290	ZINC000590825594	ref	5.8	-12.78	0	277.28	1.908	1	4	2	Cc1cc(NC(=O)N2CCO[C@H]3C[C@H]32)ccc1[N+](=O)[O-]
342598291	ZINC000590826651	ref	4.37	-10.4	0	269.32	1.593	1	3	3	COC1(CNC(=O)N2CC[C@@](F)(C#N)C2)CCCC1
214190028	ZINC000293637608	mid	7.36	-46.38	1	363.389	0.93	2	4	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)C[N@H+](C)C3)C1
214190031	ZINC000293642535	ref	3.48	-8.05	0	359.304	0.36	1	4	4	COCCN1CCN(C(=O)C(=O)Nc2cc(F)cc(F)c2F)CC1=O
342598292	ZINC000590825094	ref	8.23	-21.7	0	295.346	1.898	1	4	2	Cc1ccc(-n2nc(NC(=O)N3CC(C#N)C3)cc2C)cc1
342598293	ZINC000590825241	ref	1.79	-18.28	0	291.307	1.024	3	5	4	Cn1c(=O)oc2cc(NC(=O)NC[C@@H](O)C3CC3)ccc21
342598294	ZINC000590824990	ref	7.62	-22.85	0	299.309	1.729	1	4	2	Cc1cc(NC(=O)N2CC(C#N)C2)nn1-c1cccc(F)c1
342598295	ZINC000590825595	ref	5.8	-12.71	0	277.28	1.908	1	4	2	Cc1cc(NC(=O)N2CCO[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-]
197596940	ZINC000162851910	ref	3.99	-11.6	0	304.39	1.263	2	3	4	Cc1ccc(C(=O)NCC(=O)N2CC[C@@H]([C@@H](C)O)C2)cc1C
342598296	ZINC000590826284	ref	4.38	-17.73	0	250.689	1.453	1	3	1	Cc1nccc(NC(=O)N2CC(C#N)C2)c1Cl
342598297	ZINC000590826998	ref	5.77	-46.35	1	289.383	1.961	3	3	6	O=C(NCCC[NH+]1CCCC1)Nc1cnc(C2CC2)nc1
342598298	ZINC000590825896	ref	0.99	-13.7	0	288.307	1.821	3	5	4	COc1cc(CNC(=O)Nc2cnc(C)nc2)ccc1O
342598299	ZINC000590825536	ref	5.62	-45.74	1	275.356	1.487	2	3	2	Cc1ncc(NC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cn1
342598300	ZINC000590825536	high	3.24	-11.04	0	275.356	1.487	1	4	2	Cc1ncc(NC(=O)N2CC[C@H](N3CCCC3)C2)cn1
168365128	ZINC000029209788	ref	3.2	-40.2	1	176.263	1.544	2	1	2	C[C@@H]([NH3+])Cc1ccc2c(c1)CCN2
342598301	ZINC000590826601	ref	1.94	-11.82	0	288.311	1.928	2	6	4	Cc1noc([C@H](C)NC(=O)Nc2cnc(C3CC3)nc2)n1
398246477	ZINC000457184718	ref	7.18	-7.03	0	237.347	2.458	1	3	4	CCn1ccnc1C(=O)N[C@H](C)CC(C)(C)C
178292150	ZINC000236992376	ref	3.92	-50.73	1	373.544	1.437	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@]2(C)CC[NH2+]C2)s1
178292153	ZINC000236995046	ref	4.95	-55.52	1	361.467	1.851	2	3	8	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1
342082618	ZINC000625333964	ref	3.7	-11.05	0	281.377	1.623	1	3	5	C=C(C)CS(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
178292155	ZINC000236986627	ref	5.06	-55.65	1	353.488	1.459	1	3	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CC[NH2+][C@@H](C)C2)c1
365622677	ZINC000641587046	ref	2.77	-55.38	-1	298.136	1.362	1	3	1	O=C(c1cccc(Br)c1[O-])N1C[C@H]2C[C@@]2(O)C1
365622681	ZINC000641587046	mid	1.8	-13.97	0	298.136	1.362	2	3	1	O=C(c1cccc(Br)c1O)N1C[C@H]2C[C@@]2(O)C1
365622688	ZINC000479719558	ref	2.28	-7.62	0	286.416	1.896	3	3	5	CC(C)[C@H](NC(=O)NC[C@H]1CCO[C@@H](C)C1)C(C)(C)O
365622694	ZINC000641590409	ref	4.27	-14.19	0	268.316	1.371	1	3	2	O=C(Cc1cccc2cnccc12)N1C[C@H]2C[C@@]2(O)C1
178292158	ZINC000236986627	mid	3.81	-13.14	0	353.488	1.459	1	4	5	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCN[C@@H](C)C2)c1
343994378	ZINC000625559026	ref	4.35	-9.96	0	239.34	1.725	1	2	6	C/C=C\CNS(=O)(=O)CCc1ccccc1
342082620	ZINC000625333602	ref	7.2	-17.66	0	282.347	1.358	2	3	4	Cc1nnc(CCNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)[nH]1
168365132	ZINC000003651183	ref	3.87	-40.39	1	177.247	1.511	1	1	2	C[C@@H]([NH3+])Cc1ccc2c(c1)OCC2
365622696	ZINC000641590844	ref	2.51	-11.06	0	276.317	1.61	1	5	2	O=C(c1csc(-c2ccoc2)n1)N1C[C@H]2C[C@@]2(O)C1
365622712	ZINC000641590579	ref	3.03	-9.74	0	257.236	1.732	1	3	2	Cc1cc(C(F)F)oc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365622719	ZINC000641587082	ref	2.77	-12.72	0	255.364	1.677	1	4	2	CSc1ccsc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365622724	ZINC000641590443	ref	5.53	-11.21	0	275.323	1.912	1	2	2	O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1C[C@@H]2C[C@]2(O)C1
365622732	ZINC000641590783	ref	3.58	-13.73	0	290.363	1.273	1	4	2	Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)n1[C@@H]1CCOC1
168365134	ZINC000020446075	ref	2.24	-41.04	1	154.188	1.11	1	1	2	C[C@@H]([NH3+])Cc1ccc(F)cn1
136228551	ZINC000230483870	mid	8.69	-25.64	1	215.3	3.165	2	1	4	CCC1(CNc2[nH]c3ccccc3[nH+]2)CC1
168365135	ZINC000034278959	ref	4.42	-41.25	1	175.231	2.323	1	1	2	C[C@@H]([NH3+])Cc1cccc2occc12
168365137	ZINC000011596662	ref	6.34	-39.33	1	191.318	2.874	1	0	2	C[C@@H]([NH3+])Cc1ccc(C(C)(C)C)cc1
398246475	ZINC000649444210	ref	3.32	-6.8	0	216.166	1.829	1	3	1	Cn1cc(-c2cc(C(F)(F)F)[nH]n2)cn1
365622741	ZINC000641590576	ref	3.03	-10.2	0	257.236	1.732	1	3	2	Cc1cc(C(F)F)oc1C(=O)N1C[C@H]2C[C@@]2(O)C1
398246478	ZINC000649444210	mid	3.31	-9.21	0	216.166	1.829	1	3	1	Cn1cc(-c2cc(C(F)(F)F)n[nH]2)cn1
168365138	ZINC000310035633	mid	5.88	-47.4	1	221.348	2.293	2	1	5	CCC(CC)C[NH2+][C@H]1CCc2cn[nH]c2C1
168365140	ZINC000336767875	ref	4.42	-36.64	1	227.373	2.807	2	2	7	CCC(CC)C[NH2+][C@H](CO)c1ccsc1
168365143	ZINC000043431800	ref	7.61	-31.62	0	215.337	2.511	1	2	8	CCC(CC)C[NH2+][C@H](CC(C)C)C(=O)[O-]
343995015	ZINC000625564072	ref	0.63	-14.35	0	228.292	0.054	2	3	6	CNC(=O)CCCNC(=O)C1CC(OC)C1
136228552	ZINC000283244703	ref	6.37	-40.29	1	226.345	0.514	1	2	2	CC#CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1
398246481	ZINC000649444300	ref	2.57	-9.22	0	225.313	1.984	1	2	2	C=C(C)c1cc(C)c(S(N)(=O)=O)cc1C
398246483	ZINC000649444190	ref	7.39	-8.04	0	230.311	3.184	0	3	4	CCCOc1cccc(-c2cnn(C)c2C)c1
178292163	ZINC000290682806	ref	2.73	-9.36	0	246.27	1.464	1	6	3	Cc1cc2c(cc1NCc1cnn(C)n1)OCO2
168365148	ZINC000021043267	ref	8.68	-42.33	1	223.335	3.913	1	0	6	CCC(CC)C[NH2+][C@H](C)c1ccc(F)cc1
398246485	ZINC000649444297	ref	6.33	-5.64	0	206.285	2.883	0	2	6	C=C(C)c1cccc(COCCOC)c1
398246488	ZINC000649444234	ref	7.29	-9.0	0	202.257	1.91	0	3	1	C=C(C)c1ccc2c(c1)n(C)c(=O)n2C
398246492	ZINC000649444268	ref	4.89	-15.35	0	237.324	2.26	0	2	2	C=C(C)c1ccc(N2CCCS2(=O)=O)cc1
168365151	ZINC000036996559	ref	6.09	-37.78	1	224.392	2.639	1	1	5	CCC(CC)C[NH2+][C@H]1CCN2CCCC[C@H]12
168365153	ZINC000036996559	mid	8.05	-111.25	2	224.392	2.639	2	0	5	CCC(CC)C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12
398246495	ZINC000649444323	ref	5.06	-9.13	0	232.283	2.413	0	4	3	COc1ccc(OC)c(-c2cnn(C)c2C)c1
398246498	ZINC000649444139	ref	7.65	-9.32	0	240.306	3.085	0	3	1	Cc1c(-c2cccc3c2[C@H](C)CC3=O)cnn1C
398246501	ZINC000649444187	ref	4.22	-5.59	0	231.177	2.7	1	3	1	Cc1noc(C)c1-c1cc(C(F)(F)F)[nH]n1
398246502	ZINC000649444187	mid	4.35	-6.63	0	231.177	2.7	1	3	1	Cc1noc(C)c1-c1cc(C(F)(F)F)n[nH]1
398246505	ZINC000649444230	ref	4.08	-10.27	0	217.268	1.817	1	2	2	C=C(C)c1cccc(N2CC[C@H](O)C2=O)c1
398246507	ZINC000649444298	ref	6.7	-7.58	0	216.284	2.794	0	3	3	CCOc1ccccc1-c1cnn(C)c1C
136228553	ZINC000283244703	high	4.01	-8.98	0	226.345	0.514	0	3	2	CC#CC(=O)N1C[C@H](SC)[C@@H](N(C)C)C1
168365154	ZINC000036996559	mid	8.36	-106.8	2	224.392	2.639	2	0	5	CCC(CC)C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12
168365156	ZINC000125699945	ref	2.21	-36.73	1	203.326	1.41	2	2	9	CCC(CC)C[NH2+][C@H](CCO)COC
398246510	ZINC000649444354	ref	3.9	-11.02	0	217.154	1.224	1	4	1	Cn1cnc(-c2cc(C(F)(F)F)[nH]n2)n1
398246513	ZINC000649444354	mid	3.87	-9.57	0	217.154	1.224	1	4	1	Cn1cnc(-c2cc(C(F)(F)F)n[nH]2)n1
168365139	ZINC000002038644	ref	-0.92	-46.44	1	167.208	0.987	3	2	2	C[C@@H]([NH3+])Cc1ccc(O)c(O)c1
168365141	ZINC000020269435	ref	4.14	-42.66	1	192.237	2.197	2	0	2	C[C@@H]([NH3+])Cc1c[nH]c2cc(F)ccc12
168365142	ZINC000006443085	ref	3.36	-38.34	1	165.236	1.55	1	1	4	C[C@@H]([NH3+])COCc1ccccc1
214190029	ZINC000337633213	mid	4.76	-51.22	1	281.316	0.706	3	4	7	CCCc1n[nH]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
214190033	ZINC000337633213	high	4.59	-50.6	0	281.316	0.706	2	4	7	CCCc1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
185090082	ZINC000096075410	ref	10.47	-48.62	1	298.43	3.054	1	1	4	O=C1CCC2(CC[NH+](Cc3ccccc3)CC2)N1CC1CC1
210256312	ZINC000265955703	ref	2.39	-29.46	0	373.5	0.222	1	4	6	CS(=O)(=O)N1CCN(C(=O)NCC[S@@](=O)Cc2ccccc2)CC1
282120262	ZINC000151586089	ref	5.88	-20.33	0	311.349	2.01	3	5	5	CCn1cnnc1CNC(=O)Nc1ccc(-c2cc[nH]n2)cc1
342088493	ZINC000121506342	low	7.01	-36.44	1	276.34	1.678	1	4	4	Cn1c[nH+]cc1CCNC(=O)c1cc(C(C)(C)C)on1
282120271	ZINC000151568454	ref	6.3	-36.39	1	311.47	2.223	3	2	8	COCCC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1
168365144	ZINC000000057323	ref	4.14	-39.09	1	192.237	2.197	2	0	2	C[C@@H]([NH3+])Cc1c[nH]c2ccc(F)cc12
168365146	ZINC000041043109	ref	3.54	-38.02	1	171.284	2.073	1	1	3	C[C@@H]([NH3+])COC1CCCCCC1
230233947	ZINC000331130873	low	2.46	-41.65	1	287.36	-1.075	2	4	6	CO[C@H]1C[N@H+](CC(=O)N[C@H](C)C(=O)N(C)C)C[C@H]1OC
342088494	ZINC000121472574	ref	6.62	-14.37	0	279.384	1.674	1	4	6	CCC[C@@H]1C[C@@H](C(=O)NCCc2cncn2C)CCO1
342088495	ZINC000121472574	low	7.14	-38.98	1	279.384	1.674	1	3	6	CCC[C@@H]1C[C@@H](C(=O)NCCc2c[nH+]cn2C)CCO1
342088496	ZINC000121511133	ref	6.11	-16.17	0	251.33	1.038	1	4	5	Cn1cncc1CCNC(=O)C[C@H]1CCCCO1
342088497	ZINC000121511133	low	6.63	-39.57	1	251.33	1.038	1	3	5	Cn1c[nH+]cc1CCNC(=O)C[C@H]1CCCCO1
342088498	ZINC000121472435	ref	6.62	-14.21	0	279.384	1.674	1	4	6	CCC[C@H]1C[C@H](C(=O)NCCc2cncn2C)CCO1
342088499	ZINC000121472435	low	7.14	-39.0	1	279.384	1.674	1	3	6	CCC[C@H]1C[C@H](C(=O)NCCc2c[nH+]cn2C)CCO1
342088500	ZINC000121418689	ref	8.26	-16.05	0	271.364	1.938	1	3	5	Cc1cccc(C)c1CC(=O)NCCc1cncn1C
342088501	ZINC000121418689	low	8.77	-40.97	1	271.364	1.938	1	2	5	Cc1cccc(C)c1CC(=O)NCCc1c[nH+]cn1C
342088502	ZINC000600314905	ref	7.4	-42.12	1	256.415	1.73	2	2	5	C[N@@H+]1CCCC[C@@H](CNC(=O)CSC2CC2)C1
342088503	ZINC000600314905	mid	7.23	-41.97	1	256.415	1.73	2	2	5	C[N@H+]1CCCC[C@@H](CNC(=O)CSC2CC2)C1
342082621	ZINC000625333602	mid	6.83	-13.95	0	282.347	1.358	2	3	4	Cc1n[nH]c(CCNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)n1
210256318	ZINC000265955377	ref	1.68	-19.79	0	359.386	0.531	3	6	7	COCCNC(=O)Cn1cc(NC(=O)C(=O)Nc2ccc(C)cc2)cn1
210256324	ZINC000265954215	ref	3.28	-50.46	1	373.457	0.057	3	4	7	CN1C(=O)C[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@@H]1c1cccnc1
210256328	ZINC000265954215	mid	2.81	-54.05	1	373.457	0.057	3	4	7	CN1C(=O)C[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@@H]1c1cccnc1
210256332	ZINC000265954215	mid	0.88	-20.07	0	373.457	0.057	2	5	7	CN1C(=O)C[C@H](C(=O)NCCCN2CCC[C@H]2C(N)=O)[C@@H]1c1cccnc1
210256337	ZINC000265954180	ref	1.38	-20.32	0	356.4	0.933	2	6	6	CCOC(=O)c1ccc(NC(=O)CCN2CCCS2(=O)=O)c(O)c1
210256340	ZINC000265954180	high	2.14	-54.29	-1	356.4	0.933	1	6	6	CCOC(=O)c1ccc(NC(=O)CCN2CCCS2(=O)=O)c([O-])c1
210256345	ZINC000265954213	ref	3.14	-50.35	1	373.457	0.057	3	4	7	CN1C(=O)C[C@H](C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)[C@H]1c1cccnc1
214190035	ZINC000337634191	ref	-2.61	-14.98	0	299.327	0.663	3	6	6	Cc1cnc(NC(=O)NCC2(OCCO)CCOCC2)o1
210256350	ZINC000265954213	mid	2.68	-53.02	1	373.457	0.057	3	4	7	CN1C(=O)C[C@H](C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)[C@H]1c1cccnc1
210256353	ZINC000265954213	mid	0.74	-18.19	0	373.457	0.057	2	5	7	CN1C(=O)C[C@H](C(=O)NCCCN2CCC[C@H]2C(N)=O)[C@H]1c1cccnc1
210256358	ZINC000265955415	ref	1.46	-18.89	0	372.443	0.461	1	6	8	COc1ccc(S(=O)(=O)CCC(=O)N[C@@H](C)C(=O)N(C)C)cc1OC
214190039	ZINC000337637153	ref	8.93	-9.72	0	297.345	3.226	0	2	4	CC[C@H](C)OCC(=O)N1CCc2c(F)cc(F)cc2[C@H]1C
214190043	ZINC000337632436	ref	0.42	-14.04	0	283.307	0.058	3	4	6	Cc1nccc(CNC(=O)N[C@@H](C)C(=O)NCCF)n1
210256363	ZINC000265953620	ref	2.18	-14.71	0	354.476	0.83	3	6	7	CS[C@@H](CO)[C@@H](C)NC(=O)NCc1cccnc1N1CCOCC1
210256366	ZINC000265953620	low	2.45	-45.92	1	354.476	0.83	3	5	7	CS[C@@H](CO)[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1
210256369	ZINC000265954032	ref	3.62	-15.74	0	358.372	0.871	0	7	4	COc1cc(C(=O)N2CCS(=O)(=O)[C@H](C)C2)cc([N+](=O)[O-])c1OC
342082622	ZINC000625333509	ref	2.18	-13.41	0	290.41	1.379	1	5	8	O=S(=O)(CCOCC1CCC1)NCc1ccns1
342082623	ZINC000625333509	high	1.79	-37.77	-1	290.41	1.379	0	5	8	O=S(=O)(CCOCC1CCC1)[N-]Cc1ccns1
290009562	ZINC000089148226	high	5.27	-43.35	1	297.24	3.227	2	1	4	C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Br)c1
199273164	ZINC000181266432	ref	7.97	-11.99	0	314.36	3.102	1	2	3	COc1cccc2c1CCN(C(=O)NCc1ccccc1F)C2
199273166	ZINC000181260745	ref	5.94	-10.61	0	317.433	2.972	2	3	2	Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)N1CC[C@@H](O)C1
199273168	ZINC000181263129	ref	5.6	-13.25	0	312.366	2.735	1	5	7	COCCCOCC(=O)Nc1nc2c(C)c(F)ccc2s1
199273170	ZINC000181265145	ref	1.98	-17.64	0	319.336	1.669	3	4	5	CCc1n[nH]c(=O)c(CNC(=O)c2ccc(O)cc2F)c1CC
199273172	ZINC000181265145	mid	2.76	-49.03	-1	319.336	1.669	2	4	5	CCc1n[nH]c(=O)c(CNC(=O)c2ccc([O-])cc2F)c1CC
214190036	ZINC000293636065	ref	5.14	-22.92	0	351.388	0.088	1	7	4	Cn1cnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n1
398246480	ZINC000645406994	ref	2.99	-7.59	0	208.236	1.407	2	3	4	CC#CC[C@H](CO)Nc1ccc(F)cn1
214190045	ZINC000293643885	ref	2.72	-14.91	0	361.402	0.91	2	7	8	CCOc1cc(NC(=O)C(=O)NCCCc2cnn(C)n2)ccc1OC
214190046	ZINC000293648685	ref	7.83	-47.35	1	355.442	0.879	2	4	2	C[C@@H]1NC(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)=NN(c2ccccc2)C1=O
178292162	ZINC000236990260	ref	7.33	-102.17	2	364.471	1.19	3	5	6	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C[C@@H]3CSCC[NH2+]3)cc21
178292172	ZINC000236990260	high	4.86	-53.06	1	364.471	1.19	2	6	6	CN(C)CCn1c(=O)oc2ccc(NC(=O)C[C@@H]3CSCC[NH2+]3)cc21
214190050	ZINC000293648685	mid	7.83	-47.02	1	355.442	0.879	2	4	2	C[C@@H]1NC(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)=NN(c2ccccc2)C1=O
214190051	ZINC000293644185	ref	5.35	-28.13	0	366.443	0.506	1	7	9	COCC[S@@](=O)Cc1cccc(NC(=O)CCn2ncn(C)c2=O)c1
214190057	ZINC000293647457	ref	4.99	-13.17	0	374.401	0.632	1	8	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCC[C@H]1c1ccnn1C
178292175	ZINC000236990076	ref	4.88	-60.53	1	367.515	1.503	2	3	10	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)NC[C@H]([NH3+])C2CC2)cc1
349535793	ZINC000093301290	ref	1.46	-8.23	0	267.285	0.151	2	5	1	Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)no1
178292179	ZINC000236987281	ref	6.99	-43.73	1	361.486	1.338	2	3	9	CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH2+]CCOC
214190067	ZINC000293648209	ref	6.49	-11.85	0	362.382	0.753	0	6	3	CCOC(=O)C(=O)N1CCN(C(=O)[C@H](C)c2ccc3c(c2)OCO3)CC1
185090083	ZINC000096075410	high	8.12	-7.62	0	298.43	3.054	0	2	4	O=C1CCC2(CCN(Cc3ccccc3)CC2)N1CC1CC1
398246484	ZINC000230765844	ref	-0.44	-53.54	-1	241.247	-0.014	2	7	8	O=C([O-])c1cnc(NCCCOCCO)cn1
219048591	ZINC000286549133	ref	7.04	-10.39	0	303.402	2.838	1	3	5	CCOC1CC(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)C1
219048594	ZINC000286550063	ref	5.51	-7.72	0	307.806	3.376	2	5	5	CCc1ccc([C@@H](O)CNc2nc(Cl)c(C#N)s2)cc1
306234504	ZINC000557853620	ref	2.49	-19.72	0	342.465	1.649	2	5	5	CC(C)n1cc([C@H](C)NC(=O)NC[C@H]2CCCS(=O)(=O)C2)cn1
365622678	ZINC000354681326	low	5.84	-44.53	1	256.269	1.252	3	3	4	O=C(CCc1[nH]cc[nH+]1)Nc1nc2cccnc2[nH]1
342082624	ZINC000608879056	ref	7.42	-16.89	0	252.277	1.668	0	4	3	Cn1ccc2c(C(=O)N(CC#N)CC#N)cccc21
219048597	ZINC000286550722	ref	8.39	-17.97	0	313.401	2.014	1	3	4	CNC(=O)[C@H]1CCCN1C(=O)[C@H](C)Cn1ccc2ccccc21
219048599	ZINC000286549122	ref	6.69	-10.13	0	303.402	2.838	1	3	5	CCOC1CC(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)C1
219048602	ZINC000286548537	ref	7.5	-17.81	0	304.781	2.57	1	3	3	Cc1nccn1CCNC(=O)N1Cc2cccc(Cl)c2C1
219048604	ZINC000286548537	mid	7.97	-40.53	1	304.781	2.57	1	2	3	Cc1[nH+]ccn1CCNC(=O)N1Cc2cccc(Cl)c2C1
219048606	ZINC000286549607	ref	7.56	-10.89	0	311.381	2.861	0	3	1	O=C(c1cccc2ccccc12)N1CCO[C@]2(CCCOC2)C1
219048608	ZINC000286548723	ref	5.37	-11.55	0	306.337	2.029	1	3	5	COCC[C@@H]1NC(=O)N([C@@H]2C[C@@H](c3ccccc3F)C2)C1=O
214190044	ZINC000278494504	ref	4.71	-12.63	0	308.334	1.391	1	6	6	COC(=O)c1cnccc1NC(=O)[C@H](C)OC[C@H]1CCCO1
342082625	ZINC000618182721	ref	5.21	-16.01	0	299.436	1.85	0	3	2	O=C([C@@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CCCCC2)C1
282120265	ZINC000248949669	mid	2.75	-45.57	1	319.405	1.077	4	3	6	CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H]2CO)c1
343994380	ZINC000079943182	ref	5.96	-43.68	1	293.411	2.087	2	3	10	CC[C@H](C)[N@H+](C)CCNC(=O)CCCOc1cccnc1
282120268	ZINC000248949669	mid	0.72	-18.68	0	319.405	1.077	3	4	6	CCNC(=O)c1cccc(NC(=O)CN2CC[C@H](C)[C@H]2CO)c1
219048611	ZINC000286550630	ref	5.04	-47.44	1	314.407	1.092	2	4	7	CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1
214190055	ZINC000278495830	ref	6.62	-47.28	1	306.431	2.125	2	4	5	C[C@@H]1CCSCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1
342082627	ZINC000625333329	ref	1.22	-13.41	0	299.377	1.415	1	6	6	CCOc1ccncc1S(=O)(=O)NCc1ccns1
342082628	ZINC000625333329	high	0.79	-45.31	-1	299.377	1.415	0	6	6	CCOc1ccncc1S(=O)(=O)[N-]Cc1ccns1
219048613	ZINC000286550630	mid	2.78	-9.5	0	314.407	1.092	1	5	7	CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](C)CN(C)C)cc1
365622682	ZINC000354681379	ref	6.9	-19.02	0	289.397	1.357	1	5	7	CCS[C@H]1CCCC[C@@H]1NC(=O)COCC(=O)OC
365622685	ZINC000354679171	ref	5.85	-43.23	1	288.391	1.363	3	2	5	C[N@@H+]1CC[C@](O)(CNC(=O)C[C@H]2C[C@@H]2c2ccccc2)C1
343994381	ZINC000139314543	ref	7.72	-4.73	0	192.258	2.347	0	2	3	COC(=O)[C@H](C)Cc1ccccc1C
365622687	ZINC000354679171	mid	5.77	-43.75	1	288.391	1.363	3	2	5	C[N@H+]1CC[C@](O)(CNC(=O)C[C@H]2C[C@@H]2c2ccccc2)C1
365622690	ZINC000354679171	high	3.24	-10.84	0	288.391	1.363	2	3	5	CN1CC[C@](O)(CNC(=O)C[C@H]2C[C@@H]2c2ccccc2)C1
365622692	ZINC000354681069	ref	5.07	-8.99	0	290.363	1.682	1	3	4	COc1ccc(C(=O)NCC(=O)N2C[C@@H](C)C[C@H]2C)cc1
365622693	ZINC000354680368	ref	5.82	-9.82	0	285.384	1.899	1	4	7	CC[C@H](C)CCC(=O)NCC1(C(=O)OC)CCOCC1
365622695	ZINC000354680474	ref	5.06	-48.07	1	297.443	1.663	3	2	6	C[C@H](CO)CCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C
342082629	ZINC000625333239	ref	3.03	-10.95	0	293.429	1.68	1	4	9	CCC[C@@H](CNS(=O)(=O)C[C@H]1CCCCO1)OCC
365622697	ZINC000354680373	ref	2.67	-13.24	0	286.319	1.618	2	3	6	O=C(NCCSCC(F)(F)F)NC[C@H]1CCOC1
365622706	ZINC000354681501	ref	3.93	-16.05	0	291.825	1.971	1	3	4	O=C(CCc1cc(Cl)cs1)N[C@H]1CC[S@@](=O)C1
365638810	ZINC000172918227	ref	5.41	-12.43	0	289.331	1.42	0	4	2	O=C([C@H]1C[C@H]1c1ccc2c(c1)OCCO2)N1CCOCC1
197596954	ZINC000290107521	ref	1.62	-12.31	0	253.327	1.472	3	4	5	C=C[C@H](CO)NC(=O)Nc1ccc(SC)cn1
365639367	ZINC000354712428	ref	-0.7	-10.51	0	296.371	1.491	3	5	4	COc1nn(C)cc1NC(=O)NC[C@@]1(C)CCCC[C@H]1O
365639373	ZINC000354712623	ref	3.97	-15.67	0	289.379	1.979	2	3	4	CC(C)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)n1
365639380	ZINC000354712901	ref	7.34	-13.3	0	274.364	1.807	1	2	6	C[C@@H]1C[C@@H]1CC(=O)N(C)CC(=O)NCc1ccccc1
365639387	ZINC000354712857	ref	1.86	-8.86	0	282.344	1.46	1	5	2	COc1nn(C)cc1NC(=O)N1C[C@@H](C)OC(C)(C)C1
365639391	ZINC000354712807	ref	2.9	-16.75	0	280.393	1.514	2	3	5	CC[C@H](Nc1ccccc1)C(=O)N[C@H]1CC[S@@](=O)C1
214190042	ZINC000053589153	ref	5.32	-54.54	1	325.455	2.363	1	4	8	CS(=O)(=O)c1ccc(OCC[NH2+]CCc2cccs2)cc1
133427887	ZINC000306429840	ref	2.01	-9.93	0	185.223	0.092	1	3	3	C=C[C@H](C)NC(=O)[C@H]1COCCO1
342082630	ZINC000625334213	ref	3.38	-10.48	0	278.418	1.368	1	3	10	CCC[C@H](CNS(=O)(=O)N(C)CC1CC1)OCC
342082631	ZINC000625333183	ref	1.89	-13.47	0	279.402	1.147	1	4	9	CCC[C@@H](CNS(=O)(=O)C[C@H]1CCOC1)OCC
342082632	ZINC000625333828	ref	5.32	-11.72	0	286.335	1.55	0	5	7	COCCCN(Cc1ccncc1)C(=O)c1cccnn1
343994382	ZINC000599271713	low	3.41	-46.21	1	295.408	1.646	2	5	6	C[N@H+](Cc1cscn1)C[C@@H](O)CC1(C#N)CCOCC1
342082634	ZINC000238019495	ref	3.36	-49.85	1	270.76	1.964	2	2	8	[NH3+]CCCCNC(=O)CCOc1cccc(Cl)c1
214190047	ZINC000053598544	ref	9.82	-16.67	0	344.53	5.261	1	3	2	S=C1N=C2C(=Cc3cccs3)CCCC2[C@H](c2cccs2)N1
398246486	ZINC000650863385	ref	7.03	-39.64	1	295.427	1.825	2	2	5	COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC12CCCC2
343994385	ZINC000599272152	ref	7.06	-9.8	0	293.367	1.625	0	5	6	CCn1cc(C(=O)N(C[C@@H](C)C(=O)OC)C2CC2)c(C)n1
214190058	ZINC000053604459	ref	3.9	-8.11	0	340.427	2.2	0	6	5	c1cc2c(cc1CN1CCN(Cc3noc(C4CC4)n3)CC1)CCO2
214190060	ZINC000053604459	mid	6.3	-43.49	1	340.427	2.2	1	5	5	c1cc2c(cc1C[NH+]1CCN(Cc3noc(C4CC4)n3)CC1)CCO2
214190066	ZINC000053600606	ref	5.23	-13.0	0	348.443	2.483	2	4	4	CC(C)(C)OC(=O)N1CCC(C(=O)NC[C@H](O)c2ccccc2)CC1
214190069	ZINC000053594561	ref	11.87	-21.24	0	334.401	3.255	0	7	8	CCn1c(SCCOc2ccccc2[N+](=O)[O-])nnc1C1CC1
214190074	ZINC000053595694	ref	3.73	-15.61	0	349.431	2.424	3	4	7	COC(=O)Nc1ccc(CNC(=O)CCCNC(=O)C(C)(C)C)cc1
214190078	ZINC000053599541	ref	7.87	-11.34	0	329.791	3.074	1	6	5	COc1ccnc(N[C@H](c2ccc(Cl)cc2)c2nccn2C)n1
214190082	ZINC000053599541	low	8.89	-33.01	1	329.791	3.074	1	5	5	COc1ccnc(N[C@H](c2ccc(Cl)cc2)c2[nH+]ccn2C)n1
214190086	ZINC000053608375	ref	5.27	-44.71	1	325.375	1.051	1	3	7	CN(C)C(=O)CN1CCC[N@H+](CCCOCC(F)(F)F)CC1
214190088	ZINC000053608375	mid	5.11	-38.31	1	325.375	1.051	1	3	7	CN(C)C(=O)CN1CCC[N@@H+](CCCOCC(F)(F)F)CC1
214190092	ZINC000053608375	high	3.3	-11.6	0	325.375	1.051	0	4	7	CN(C)C(=O)CN1CCCN(CCCOCC(F)(F)F)CC1
214190098	ZINC000053595896	ref	4.01	-14.97	0	333.388	1.738	2	4	5	COC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1
342082636	ZINC000625333573	ref	3.0	-10.6	0	272.251	1.568	1	3	3	CC[C@@H]1C(=O)NCCN1C(=O)c1ccc(C(F)F)o1
342082637	ZINC000608877822	ref	6.38	-11.67	0	260.293	1.471	1	4	4	CCOC(=O)CNC(=O)c1cccc2c1ccn2C
214190103	ZINC000053588106	ref	3.07	-52.26	1	326.443	2.299	1	4	6	C[C@H](C[NH3+])Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1
178292184	ZINC000082784249	ref	1.52	-12.32	0	263.34	1.351	1	5	4	CC[C@H](C)OC(=O)c1csc(S(N)(=O)=O)c1
136228554	ZINC000191592779	ref	6.42	-49.21	-1	249.266	2.016	0	4	3	C=CC1CCN(C(=O)c2cc(C(=O)[O-])co2)CC1
342598302	ZINC000590826281	ref	1.53	-10.78	0	262.313	1.246	3	4	5	O=C(NC[C@@H](O)C1CC1)Nc1cnc(C2CC2)nc1
342598303	ZINC000590826652	ref	4.34	-10.27	0	269.32	1.593	1	3	3	COC1(CNC(=O)N2CC[C@](F)(C#N)C2)CCCC1
219048595	ZINC000097694684	ref	4.76	-12.62	0	325.324	2.625	1	7	3	COc1cc2nc(-c3ccc4c(c3)OCO4)nc(N)c2cc1OC
219048596	ZINC000097696212	ref	4.2	-15.67	0	344.333	1.868	2	3	5	O=C(CN1CCCCC1=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1
219048598	ZINC000097694781	ref	9.12	-41.51	1	348.491	1.967	1	4	6	CCn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCOC)C2)CC1
219048600	ZINC000097694781	mid	9.29	-43.08	1	348.491	1.967	1	4	6	CCn1ccnc1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCOC)C2)CC1
219048601	ZINC000097694781	low	9.71	-79.27	2	348.491	1.967	1	3	6	CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@H+](CCOC)C2)CC1
219048603	ZINC000097694781	low	9.88	-78.98	2	348.491	1.967	1	3	6	CCn1cc[nH+]c1C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCOC)C2)CC1
219048605	ZINC000097694781	high	6.93	-12.95	0	348.491	1.967	0	5	6	CCn1ccnc1C1CCN(C(=O)[C@@H]2CCCN(CCOC)C2)CC1
214190048	ZINC000337636378	ref	3.71	-9.89	0	254.33	0.227	1	3	4	CC[C@H](C)[C@H](O)C(=O)N1CCN(C2CC2)C(=O)C1
214190053	ZINC000337633920	ref	2.73	-19.11	0	286.311	-0.56	3	5	7	C[C@H](Cn1cncn1)NC(=O)N[C@H](C)C(=O)NCCF
219048607	ZINC000097696347	ref	6.02	-12.97	0	335.473	2.217	2	3	7	NC(=O)N1CCC[C@@H](C(=O)NCCCSCc2ccccc2)C1
219048609	ZINC000097696359	ref	2.46	-19.66	0	345.384	0.854	3	7	6	O=C(CNC(=O)c1ccc2c(c1)ncn2CCO)Nc1nccs1
219048610	ZINC000097694701	ref	7.81	-36.54	1	346.5	3.626	1	5	7	CN(Cc1noc(C2CC2)n1)Cc1ccc(C[NH+]2CCCCC2)s1
219048612	ZINC000097694701	high	5.43	-6.32	0	346.5	3.626	0	6	7	CN(Cc1noc(C2CC2)n1)Cc1ccc(CN2CCCCC2)s1
219048614	ZINC000097696213	ref	4.3	-15.53	0	344.333	1.868	2	3	5	O=C(CN1CCCCC1=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1
214190056	ZINC000337637125	ref	3.71	-18.71	0	253.302	0.82	1	4	6	COC[C@H](C)n1ccc(=NC(=O)CCC(C)=O)[nH]1
214190059	ZINC000337634433	ref	7.8	-20.22	0	299.374	2.306	1	2	5	C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1ccc[nH]1
342598304	ZINC000590825823	ref	1.59	-13.44	0	299.325	1.636	2	4	4	Cc1ncc(NC(=O)NC2CCN(CC(F)F)CC2)cn1
214190062	ZINC000337636436	ref	7.96	-7.79	0	277.29	3.439	2	2	5	CC(C)C[C@H](C)CC(=O)Nc1nc(C(F)(F)F)c[nH]1
365622698	ZINC000623053726	ref	2.71	-55.26	1	309.366	1.667	2	4	4	COc1cc(NC(=O)N2CCC[C@@H]([NH3+])C2)cc(OC)c1OC
365622714	ZINC000623051677	ref	2.68	-17.97	0	302.338	1.504	3	6	7	COc1cc(NCCCNC(=O)Nc2ccccn2)ncn1
365622722	ZINC000623053389	ref	4.36	-52.54	1	324.182	1.055	1	4	1	[NH3+][C@@H]1CCCN(C(=O)c2nc3ccc(Br)cn3n2)C1
365622733	ZINC000623052017	ref	2.72	-12.56	0	300.318	1.613	2	5	3	COc1cc(NC(=O)N2C[C@@H](CO)c3ccccc32)ncn1
365622744	ZINC000623053328	ref	5.02	-50.01	1	324.356	1.917	1	4	3	C[NH2+][C@@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1
365622756	ZINC000623053329	ref	5.06	-49.47	1	324.356	1.917	1	4	3	C[NH2+][C@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1
365622768	ZINC000623052903	ref	4.5	-48.46	1	310.329	1.529	1	4	2	O=C(c1nnc(-c2c(F)cccc2F)s1)N1CC[NH2+]CC1
365622777	ZINC000623052903	mid	3.19	-10.8	0	310.329	1.529	1	5	2	O=C(c1nnc(-c2c(F)cccc2F)s1)N1CCNCC1
190492069	ZINC000269408659	ref	5.4	-13.68	0	277.393	2.871	2	4	5	CCNC(=O)C(C)(C)CNc1nc2ccccc2s1
178292181	ZINC000236987281	high	5.58	-14.66	0	361.486	1.338	2	4	9	CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCNCCOC
282120266	ZINC000533442918	ref	5.43	-14.39	0	297.362	1.451	0	5	2	Cc1ccnc(C(=O)N2CCN(c3cnccc3C)CC2)n1
282120270	ZINC000533442918	low	5.89	-42.22	1	297.362	1.451	0	4	2	Cc1ccnc(C(=O)N2CCN(c3c[nH+]ccc3C)CC2)n1
343994383	ZINC000625559183	ref	7.83	-37.79	1	225.376	2.925	1	1	6	CCC[C@H](C)CCC[N@@H+]1CCC2(COC2)C1
365622787	ZINC000623053545	ref	1.14	-15.73	0	301.35	1.865	2	5	2	Cc1nc(NC(=O)N2CCNC[C@@H]2c2cccnc2)oc1C
365622795	ZINC000623053545	mid	2.42	-64.39	1	301.35	1.865	2	4	2	Cc1nc(NC(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)oc1C
365622804	ZINC000623050984	ref	5.66	-36.2	1	316.449	1.821	3	4	5	O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cnc(C3CC3)nc2)CC1
365622814	ZINC000623050984	low	6.85	-114.25	2	316.449	1.821	3	3	5	O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1
365622825	ZINC000623051805	ref	3.94	-12.85	0	315.366	1.923	0	4	4	COC1(CS(=O)(=O)N2CCOc3ccc(F)cc32)CCC1
282120276	ZINC000533444833	ref	4.81	-57.01	-1	286.339	1.183	1	4	4	C[C@@H](Cn1cccn1)NC(=O)N=c1ccc(C2CC2)n[n-]1
343994384	ZINC000625559183	mid	7.85	-37.56	1	225.376	2.925	1	1	6	CCC[C@H](C)CCC[N@H+]1CCC2(COC2)C1
365622833	ZINC000623053133	ref	6.33	-51.93	1	319.796	1.699	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCC([NH3+])CC1
365622699	ZINC000172825922	ref	5.12	-9.44	0	282.29	1.764	1	2	4	CC(=O)N[C@H](CC(=O)N1CCC1)c1ccc(F)cc1F
365622713	ZINC000172820312	ref	5.37	-13.54	0	265.313	1.267	1	5	4	CCn1nc(C)c(NC(=O)[C@H]2C[C@@H]2C(=O)OC)c1C
365622723	ZINC000172820684	ref	4.79	-15.74	0	287.363	1.741	2	2	5	Cc1cccc2c(CC(=O)N(CC(N)=O)C(C)C)c[nH]c12
365622734	ZINC000565301132	ref	5.92	-14.47	0	288.307	1.715	1	5	5	CC(=O)NCCN(C)c1nc2ccccc2cc1[N+](=O)[O-]
365622747	ZINC000565303429	ref	7.0	-56.3	1	273.34	1.458	1	5	5	COC(C)(C)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1
365622760	ZINC000565303429	mid	7.13	-52.25	1	273.34	1.458	1	5	5	COC(C)(C)C[N@@H+](C)Cc1cnc2c(C#N)cnn2c1
365622767	ZINC000565303429	mid	5.33	-11.91	0	273.34	1.458	0	6	5	COC(C)(C)CN(C)Cc1cnc2c(C#N)cnn2c1
365622771	ZINC000172820317	ref	5.37	-13.99	0	265.313	1.267	1	5	4	CCn1nc(C)c(NC(=O)[C@@H]2C[C@H]2C(=O)OC)c1C
365622779	ZINC000172825371	ref	4.28	-16.28	0	289.335	1.475	1	5	7	COc1cccc(O[C@H](C)CNC(=O)Cn2cccn2)c1
365622789	ZINC000172819616	ref	5.17	-17.91	0	266.316	1.524	1	2	5	C[C@@H](C(=O)NCCC(=O)N(C)C)c1cccc(F)c1
365622800	ZINC000172820882	ref	10.25	-13.64	0	277.372	1.676	1	6	8	CCCCN(CCO)c1cc(CCC)nc2ncnn12
365622808	ZINC000565308401	ref	4.79	-52.1	-1	295.295	1.204	1	7	3	Cc1cc(C(=O)[O-])c([N+](=O)[O-])c(N2CC[C@H](O)[C@@H](C)C2)n1
365622827	ZINC000172825021	ref	5.11	-17.43	0	283.372	1.9	1	5	8	CCOCCO[C@@H](C)C(=O)Nc1c(C)nn(CC)c1C
346818926	ZINC000611565748	ref	5.84	-12.75	0	288.254	1.276	0	5	4	Cc1nn(CCC(=O)N2CC(F)(F)C2)c(C)c1[N+](=O)[O-]
365622835	ZINC000172826776	ref	5.64	-24.25	0	292.335	1.071	1	4	6	CCCNC(=O)c1cccc(C(=O)N(C)CC(=O)OC)c1
365622847	ZINC000172821109	ref	7.67	-16.84	0	266.37	1.797	1	6	6	CCCc1cc(SC[C@@H](C)CO)n2ncnc2n1
365622856	ZINC000189234916	ref	8.5	-20.3	0	283.368	1.744	0	4	3	COC(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H]2CCCC[C@@H]2C)O1
365622869	ZINC000172822517	ref	4.88	-11.08	0	272.308	1.34	0	5	2	Cc1nccc(N2CCN(C(=O)c3ccco3)CC2)n1
365622880	ZINC000172822517	low	5.33	-39.98	1	272.308	1.34	0	4	2	Cc1nc(N2CCN(C(=O)c3ccco3)CC2)cc[nH+]1
365622886	ZINC000172824587	ref	4.87	-13.5	0	261.329	1.745	1	5	5	CCn1nc(C)c(NC(=O)CCn2cccn2)c1C
365622898	ZINC000172827825	ref	3.88	-12.68	0	267.325	1.614	1	4	7	COc1cccc(O[C@@H](C)CNC(=O)[C@@H](C)OC)c1
346818932	ZINC000611566072	ref	6.21	-16.83	0	256.208	1.994	0	3	2	Cc1ccc(C(=O)N2CC(F)(F)C2)cc1[N+](=O)[O-]
210256374	ZINC000265953728	ref	3.93	-16.72	0	360.414	0.143	1	4	3	CN1CCN(C(=O)NCc2cccc(C(=O)N3CCOCC3)c2)CC1=O
210256377	ZINC000265954834	ref	2.4	-13.59	0	359.43	0.321	1	7	6	Cc1c(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)nnn1C
210256384	ZINC000265954834	low	4.64	-47.53	1	359.43	0.321	2	6	6	Cc1c(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)nnn1C
342598305	ZINC000590827179	ref	5.08	-11.19	0	262.313	1.608	1	4	2	O=C(Nc1cnc(C2CC2)nc1)N1CCCOCC1
214190061	ZINC000278495830	mid	6.81	-46.66	1	306.431	2.125	2	4	5	C[C@@H]1CCSCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1
210256311	ZINC000000641592	ref	6.06	-9.66	0	360.168	4.761	1	4	4	COc1cc(OC)c(NC(=O)Oc2ccc(F)cc2Cl)cc1Cl
210256319	ZINC000000645305	ref	3.8	-48.79	-1	368.842	2.622	1	4	6	Cc1cccc([N-]S(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1
210256327	ZINC000000645305	mid	3.36	-14.92	0	368.842	2.622	2	4	6	Cc1cccc(NS(=O)(=O)c2cc(OCC(N)=O)c(C)cc2Cl)c1
210256333	ZINC000000644623	ref	5.99	-8.35	0	370.268	3.957	1	3	5	CCOc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1
214190063	ZINC000278495830	high	5.08	-9.51	0	306.431	2.125	1	5	5	C[C@@H]1CCSCCN1C[C@H](O)COc1ccc(C#N)cc1
282120272	ZINC000129515470	ref	11.33	-84.28	2	344.503	2.417	3	1	6	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1
282120283	ZINC000129515470	high	8.65	-39.99	1	344.503	2.417	2	2	6	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](CN2CCCC2)c2ccccc2)C1
282120290	ZINC000335711258	ref	7.19	-43.6	1	289.37	2.157	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCC(F)(F)C2)C1
210256338	ZINC000000644623	high	6.04	-40.14	-1	370.268	3.957	0	3	5	CCOc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C)cc1
214190065	ZINC000278495796	ref	10.6	-52.91	1	302.443	3.155	1	3	4	N#Cc1ccc(OC2CC[NH+](C[C@H]3CCSC3)CC2)cc1
210256343	ZINC000000645144	ref	6.1	-15.82	0	353.447	4.474	1	5	6	Cc1ccc(-c2nnc(SCCC(=O)Nc3ccccc3C)o2)cc1
210256349	ZINC000000645655	ref	7.26	-10.6	0	371.458	4.367	1	4	4	COc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1
210256355	ZINC000000645655	high	7.36	-48.01	-1	371.458	4.367	0	4	4	COc1ccc(S(=O)(=O)[N-]c2ccc3oc4c(c3c2)C[C@@H](C)CC4)cc1
282120304	ZINC000335927866	ref	6.66	-43.6	1	271.43	1.474	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CSC2(C)C)C1
349535795	ZINC000594972540	mid	6.96	-53.02	1	257.362	2.921	1	3	4	Cc1cc(C)cc(C[NH2+]Cc2nc(C#N)cs2)c1
210256359	ZINC000000646328	ref	5.78	-16.64	0	370.434	2.379	1	7	4	COc1ccc(NC(=O)Cn2nnc3sc4c(c3c2=O)CCCC4)cc1
178292183	ZINC000236997435	ref	4.43	-45.84	1	353.488	1.475	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1
210256367	ZINC000000640892	ref	7.52	-10.4	0	351.02	5.339	2	2	2	O=C(Nc1ccc(Cl)cn1)Nc1cc(Cl)c(Cl)cc1Cl
178292186	ZINC000236997435	high	3.07	-12.5	0	353.488	1.475	2	4	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CCCCN2)cc1
178292189	ZINC000236988632	ref	5.19	-60.64	1	367.515	1.599	1	3	7	CCN(CC)S(=O)(=O)c1ccc(CCC(=O)N2CCC([NH3+])CC2)cc1
178292190	ZINC000236990235	ref	4.19	-52.08	1	367.515	1.851	2	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
178292194	ZINC000236990235	high	3.9	-11.11	0	367.515	1.851	2	4	7	CC[C@@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
214190064	ZINC000337636436	mid	7.85	-6.87	0	277.29	3.439	2	2	5	CC(C)C[C@H](C)CC(=O)Nc1ncc(C(F)(F)F)[nH]1
214190068	ZINC000337634944	ref	7.98	-7.53	0	264.413	3.301	2	1	4	C[C@H]1CCC[C@H](C)C1NC(=O)NCC1(C2CC2)CC1
178292197	ZINC000236989680	ref	3.85	-50.67	1	350.438	1.662	4	2	7	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@@H]1CCC[NH2+]C1
178292200	ZINC000236996112	ref	4.89	-48.61	1	367.515	1.723	2	3	8	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1
178292202	ZINC000236997694	ref	3.91	-49.09	1	353.488	1.333	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@]2(C)CC[NH2+]C2)cc1
210256375	ZINC000000645775	ref	5.01	-18.11	0	362.813	3.31	3	4	6	CCOc1ccc(NC(=O)[C@@H](C)O)c(NC(=O)c2ccc(Cl)cc2)c1
210256381	ZINC000000644381	ref	6.6	-9.5	0	365.433	3.66	3	3	5	CCOc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1C
178292206	ZINC000236987062	ref	7.34	-59.17	1	370.453	1.314	2	4	5	CCn1c(=O)c(=O)[nH]c2cc(C(=O)N3CCC([NH2+]CC4CC4)CC3)ccc21
178292210	ZINC000236997189	ref	4.0	-49.33	1	353.488	1.333	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@]2(C)CC[NH2+]C2)cc1
178292213	ZINC000236990525	ref	5.3	-47.94	1	360.458	1.582	2	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C
178292218	ZINC000236990525	high	4.96	-17.41	0	360.458	1.582	2	4	5	CC[C@H](C)[C@H](N)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C
214190071	ZINC000337635982	ref	4.33	-21.03	0	281.368	2.085	1	2	5	C[C@H](CC[S@](C)=O)NC(=O)[C@H]1CCCC(F)(F)C1
349535977	ZINC000621500732	ref	7.93	-9.48	0	274.355	3.253	1	1	5	CCC[C@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
398246487	ZINC000417635885	ref	2.56	-51.83	1	227.352	1.602	3	1	5	C[C@H](NC(=O)N[C@H](C)CC[NH3+])C1CCCC1
349535797	ZINC000093300013	ref	2.71	-9.12	0	287.319	0.726	2	4	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1O
349535802	ZINC000093293300	ref	4.46	-57.53	1	281.381	0.181	1	3	3	CN(CCc1cccs1)C(=O)C(=O)N1CC[NH2+]CC1
342598306	ZINC000590813591	ref	3.68	-8.9	0	258.387	1.606	2	3	4	CS[C@H](C)CNC(=O)N[C@H]1CC12CCOCC2
398246491	ZINC000189759894	ref	6.66	-33.94	1	231.336	1.542	1	3	8	CCOC(=O)C[N@H+](C[C@@H](C)COC)C(C)C
342598307	ZINC000590828020	ref	5.22	-13.08	0	283.347	1.84	1	3	4	N#C[C@@]1(F)CCN(C(=O)NCCCC2CCOCC2)C1
342598308	ZINC000616989416	ref	2.28	-13.29	0	287.146	1.888	2	2	4	O=C(C[C@H]1CC(=O)N1)NCc1cc(Cl)cc(Cl)c1
197596968	ZINC000162852849	ref	8.08	-9.07	0	316.426	3.309	0	4	5	CN(CCc1ccccc1)C(=O)c1csc([C@@H]2CCCO2)n1
214190070	ZINC000293640371	ref	3.0	-31.26	0	366.443	0.075	1	6	4	Cc1nc2cc(=O)[nH]n2c(C)c1CC(=O)N1CC[C@@H](CS(C)(=O)=O)C1
214190072	ZINC000293640371	mid	2.21	-71.95	-1	366.443	0.075	0	6	4	Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N1CC[C@@H](CS(C)(=O)=O)C1
398246493	ZINC000189759894	mid	6.58	-35.16	1	231.336	1.542	1	3	8	CCOC(=O)C[N@@H+](C[C@@H](C)COC)C(C)C
398246496	ZINC000189759894	mid	4.63	-6.44	0	231.336	1.542	0	4	8	CCOC(=O)CN(C[C@@H](C)COC)C(C)C
214190077	ZINC000293646574	ref	3.29	-17.2	0	361.398	0.345	1	5	4	COC[C@H]1CCN1C(=O)C(=O)Nc1ccccc1C(=O)N1CCOCC1
214190081	ZINC000293639657	ref	5.28	-15.91	0	373.409	0.911	1	5	5	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1
349535807	ZINC000093293300	mid	3.18	-11.54	0	281.381	0.181	1	4	3	CN(CCc1cccs1)C(=O)C(=O)N1CCNCC1
342598309	ZINC000590814135	ref	7.93	-19.77	0	295.346	1.465	0	5	3	Cc1cccn2cc(CC(=O)N3CC(n4cccn4)C3)nc12
342598310	ZINC000590814135	low	8.23	-33.27	1	295.346	1.465	0	4	3	Cc1cccn2cc(CC(=O)N3CC(n4cccn4)C3)[nH+]c12
342598311	ZINC000590814452	ref	6.09	-12.93	0	251.33	1.327	0	4	5	CC(C)CO[C@@H](C)C(=O)N1CC(n2cccn2)C1
342598312	ZINC000590814109	ref	4.63	-11.26	0	262.338	1.356	0	5	4	O=C(CCc1nccs1)N1CC(n2cccn2)C1
342598313	ZINC000616989361	ref	5.78	-41.75	1	254.374	1.402	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1
398246499	ZINC000336778961	ref	1.63	-6.61	0	223.276	1.214	1	5	4	C[C@@H]1OCC[C@@H]1NCc1noc(C2CC2)n1
343994387	ZINC000139354237	ref	4.06	-2.04	0	154.253	2.049	1	1	1	CC(C)[C@@]12C[C@@H]1[C@H](C)C[C@@H]2O
398246503	ZINC000336778961	low	2.76	-38.18	1	223.276	1.214	1	4	4	C[C@@H]1OCC[C@@H]1[NH2+]Cc1noc(C2CC2)n1
342082638	ZINC000625333415	ref	3.18	-9.32	0	255.343	1.464	1	4	3	CN(C(=O)NCc1ccns1)C1CCOCC1
342082639	ZINC000608877137	ref	8.01	-14.89	0	286.331	1.813	0	4	2	COC(=O)[C@H]1CCN(C(=O)c2cccc3c2ccn3C)C1
365622700	ZINC000576551820	ref	6.15	-32.92	1	225.376	2.658	2	1	3	C[C@H]1CCCC[C@@H]1C[N@H+](C)[C@@H]1CCC[C@H]1O
365622707	ZINC000576551820	mid	6.46	-32.85	1	225.376	2.658	2	1	3	C[C@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CCC[C@H]1O
349535798	ZINC000594970869	ref	4.8	-11.39	0	281.425	2.872	2	3	4	Cc1csc(CCNC(=O)N[C@@H]2CC[C@@H](C)CC2)n1
349535804	ZINC000594970160	ref	7.49	-60.67	1	283.379	2.503	1	4	5	CCn1nnc(C)c1C[NH2+]C(C)(C)c1cccc(C#N)c1
342082640	ZINC000625333362	ref	1.76	-13.09	0	262.309	1.051	2	3	2	CC[C@H]1C(=O)NCCN1C(=O)c1c(C)cccc1O
365622718	ZINC000576563176	ref	2.19	-9.11	0	224.304	0.855	3	2	4	O=C(NC[C@@H]1C[C@H]1C1CC1)N[C@@H]1C[C@H](O)C1
365622729	ZINC000576541871	ref	4.57	-6.33	0	230.327	2.611	2	1	3	CC(C)C(C)(C)NC(=O)N[C@H]1CC[C@@H](F)C1
178292201	ZINC000082784241	ref	3.24	-14.41	0	271.338	1.598	1	4	4	CC[C@H](C)OC(=O)c1ccc(C)c(S(N)(=O)=O)c1
342082641	ZINC000625333362	high	2.55	-51.23	-1	262.309	1.051	1	3	2	CC[C@H]1C(=O)NCCN1C(=O)c1c(C)cccc1[O-]
342082642	ZINC000238014996	ref	3.55	-51.28	1	290.363	1.591	2	3	4	[NH3+][C@H]1CCC[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)C1
136228555	ZINC000182816394	ref	2.61	-41.24	1	228.336	1.069	2	2	9	C=CCCOCCNC(=O)[C@H]([NH3+])[C@H](C)CC
342082643	ZINC000625332710	ref	4.0	-6.77	0	255.406	1.271	1	2	7	CCN(CC(=O)N(C)CC)C[C@H]1CCC[N@@H+]1CC
197596980	ZINC000290105552	ref	6.32	-45.46	1	287.367	1.295	2	4	4	CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](C)c1nnc2ccccn12
136228556	ZINC000182816394	high	2.29	-7.16	0	228.336	1.069	2	3	9	C=CCCOCCNC(=O)[C@H](N)[C@H](C)CC
342082644	ZINC000625332710	mid	6.16	-40.11	1	255.406	1.271	1	2	7	CCN(CC(=O)N(C)CC)C[C@H]1CCC[N@H+]1CC
342082645	ZINC000625332710	high	4.0	-6.77	0	255.406	1.271	0	3	7	CCN(CC(=O)N(C)CC)C[C@H]1CCCN1CC
342082646	ZINC000625333272	ref	1.41	-36.48	1	253.346	1.324	2	4	7	COc1cncc(C[N@H+](C)[C@@H](CO)CC(C)C)n1
342082647	ZINC000625333272	mid	1.99	-34.91	1	253.346	1.324	2	4	7	COc1cncc(C[N@@H+](C)[C@@H](CO)CC(C)C)n1
342082648	ZINC000625333272	mid	-0.67	-6.18	0	253.346	1.324	1	5	7	COc1cncc(CN(C)[C@@H](CO)CC(C)C)n1
342082649	ZINC000238012416	ref	5.99	-52.29	-1	291.351	1.274	2	4	3	O=C([O-])C1CCC(NC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1
342082650	ZINC000625333607	ref	4.82	-18.2	0	262.313	1.559	2	4	6	Cc1nnc(CCNC(=O)C[C@@H](C)c2ccco2)[nH]1
342082651	ZINC000625333607	mid	4.45	-14.53	0	262.313	1.559	2	4	6	Cc1n[nH]c(CCNC(=O)C[C@@H](C)c2ccco2)n1
210256392	ZINC000000641606	ref	10.28	-8.27	0	368.23	5.727	1	2	3	O=C(Nc1ccc(Br)cc1)Oc1ccc(-c2ccccc2)cc1
210256399	ZINC000000644911	ref	2.23	-15.8	0	362.451	2.297	3	4	6	Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NC(C)(C)CO)c2)cc1
214190073	ZINC000278495001	ref	9.13	-49.99	1	320.387	3.018	1	3	4	C[C@H]([NH2+][C@@H]1CCCN(c2ccnn2C)C1)c1cc(F)cc(F)c1
214190076	ZINC000278495001	high	8.06	-5.87	0	320.387	3.018	1	4	4	C[C@H](N[C@@H]1CCCN(c2ccnn2C)C1)c1cc(F)cc(F)c1
210256403	ZINC000000644911	mid	2.35	-53.11	-1	362.451	2.297	2	4	6	Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC(C)(C)CO)c2)cc1
210256408	ZINC000000642351	ref	9.33	-13.19	0	360.373	1.544	0	7	2	Cc1nc2c(=O)n(-c3ccccc3)c(=O)n(-c3ccccc3)c2n(C)c1=O
210256414	ZINC000000645774	ref	4.98	-13.71	0	368.48	3.636	1	5	5	CSc1nc2cc(S(=O)(=O)NCc3ccccc3F)ccc2s1
210256418	ZINC000000641712	ref	13.33	-11.95	0	360.409	5.258	0	4	3	CCc1c(C(=O)c2ccc(C)cc2)oc2c(C)c3oc(=O)cc(C)c3cc12
210256347	ZINC000272862414	low	7.29	-42.62	1	308.426	2.548	2	3	2	Cc1n[nH]cc1C[N@@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C
342598314	ZINC000616989361	mid	5.74	-41.19	1	254.374	1.402	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1
342598315	ZINC000616989913	ref	2.99	-40.9	1	278.356	1.032	3	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1
342598316	ZINC000616989913	mid	2.95	-40.6	1	278.356	1.032	3	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)[nH]n2)C1
342598317	ZINC000616989395	ref	3.08	-8.93	0	287.146	1.746	2	2	3	O=C1NCC[C@@H]1C(=O)NCc1cc(Cl)cc(Cl)c1
342598318	ZINC000590814166	ref	6.44	-10.29	0	269.304	1.458	0	4	3	Cc1ccc(C(=O)C(=O)N2CC(n3cccn3)C2)cc1
342598319	ZINC000590813931	ref	4.57	-14.41	0	272.345	1.054	2	4	8	CCOC(=O)COCCNC(=O)N[C@H](C)C1CCC1
342598320	ZINC000590814160	ref	5.9	-12.18	0	274.324	1.675	0	5	3	Cc1noc(C)c1[C@@H](C)C(=O)N1CC(n2cccn2)C1
342598321	ZINC000590813886	ref	4.45	-42.3	1	283.416	1.138	2	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)CNC(=O)C(C)(C)C)C1
342598322	ZINC000590814170	ref	7.66	-14.62	0	285.347	1.872	0	4	5	C[C@H](OCc1ccccc1)C(=O)N1CC(n2cccn2)C1
342598323	ZINC000590814278	ref	5.73	-11.87	0	256.309	1.294	0	4	4	O=C(CCc1cccnc1)N1CC(n2cccn2)C1
342598324	ZINC000364849430	ref	6.74	-12.42	0	296.411	1.684	0	3	4	C=C(C)CN(CC)C(=O)[C@H]1CN(C(=O)C(C)(C)C)CCO1
342598325	ZINC000590813487	ref	6.72	-43.7	1	295.427	1.378	1	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
398246489	ZINC000650863385	mid	5.96	-37.27	1	295.427	1.825	2	2	5	COCC[N@H+]1CCC[C@H]1CNC(=O)N1CCC12CCCC2
178292199	ZINC000180221543	ref	0.41	-10.18	0	222.244	1.009	2	4	3	Cc1cc2c(cc1N[C@H](C)C(N)=O)OCO2
398246490	ZINC000650863385	high	4.2	-10.93	0	295.427	1.825	1	3	5	COCCN1CCC[C@H]1CNC(=O)N1CCC12CCCC2
297220782	ZINC000443373616	ref	0.58	-48.27	-1	317.164	2.546	0	4	3	Cc1cnc([N-]S(=O)(=O)c2cccc(Br)c2)o1
214190080	ZINC000337634304	ref	6.31	-15.52	0	279.343	2.464	2	2	5	O=C(Cc1cccnc1)NCCc1cccc2[nH]ccc12
398246494	ZINC000650864845	ref	4.18	-40.33	1	271.405	1.273	3	2	6	CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)CCO
365622701	ZINC000625037396	ref	7.11	-19.87	0	307.438	2.217	1	2	4	CC(C)C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
398246497	ZINC000650864845	mid	4.72	-39.67	1	271.405	1.273	3	2	6	CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)CCO
398246500	ZINC000650864845	high	2.78	-7.1	0	271.405	1.273	2	3	6	CCN1CCCC[C@@H]1CNC(=O)N(C)[C@H](C)CCO
398246504	ZINC000650864664	ref	4.42	-8.59	0	284.31	1.605	1	4	5	CC[C@@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(F)F
398246506	ZINC000650860464	ref	3.51	-13.43	0	299.273	1.703	1	4	4	O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCOC1
178292216	ZINC000014488654	ref	5.23	-8.63	0	238.242	2.476	1	3	0	Cc1cc2c(cc1O)C(=O)c1ccccc1C2=O
178292222	ZINC000014488654	mid	6.0	-44.97	-1	238.242	2.476	0	3	0	Cc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O
398246509	ZINC000650864057	ref	3.49	-37.59	1	281.4	1.075	4	2	5	O=C(NC1CC[NH+](CCO)CC1)NC1(C2CCC2)CC1
398246512	ZINC000650864057	high	1.19	-8.92	0	281.4	1.075	3	3	5	O=C(NC1CCN(CCO)CC1)NC1(C2CCC2)CC1
342082652	ZINC000032553369	ref	3.57	-14.17	0	253.261	1.994	1	4	2	COc1ccc(-c2ccc3nc[nH]c(=O)c3c2)cn1
365622711	ZINC000625036712	ref	9.5	-23.65	0	321.384	2.035	1	5	3	C[C@]1(NC(=O)Cc2nc3ncccn3n2)CCCc2ccccc21
365622720	ZINC000625035730	ref	7.44	-22.5	0	319.38	2.12	1	2	4	CN(Cc1ccccc1F)C(=O)N[C@H]1CCN(C2CCC2)C1=O
398246516	ZINC000650864062	ref	2.78	-38.27	1	271.405	1.177	4	2	4	C[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)C(C)(C)C
342082653	ZINC000625333887	ref	4.92	-27.14	1	299.459	1.334	2	3	10	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)C(=O)NCCCOC
398246519	ZINC000650864062	high	0.48	-9.6	0	271.405	1.177	3	3	4	C[C@@H](NC(=O)NC1CCN(CCO)CC1)C(C)(C)C
178292241	ZINC000288670313	ref	5.01	-6.51	0	249.31	2.705	1	4	5	Cc1cc2c(cc1NCCOC1CCC1)OCO2
365622702	ZINC000336543294	ref	6.0	-13.57	0	288.347	2.177	1	3	3	C[C@H]1C[C@@H](C(=O)Nc2ccccc2N2CCCC2=O)CO1
365622708	ZINC000336542697	ref	2.82	-6.93	0	250.342	2.291	0	4	3	Cc1nc(CN2C[C@H](C3CC3)O[C@H](C)C2)oc1C
365622716	ZINC000336542697	low	5.08	-36.54	1	250.342	2.291	1	3	3	Cc1nc(C[N@@H+]2C[C@H](C3CC3)O[C@H](C)C2)oc1C
398246508	ZINC000457184709	ref	5.0	-6.6	0	229.364	2.334	2	2	5	CC[C@H](C)[C@H](O)C(=O)N[C@@H](C)CC(C)(C)C
343994388	ZINC000622825078	ref	6.12	-6.91	0	239.359	2.498	1	2	6	CC[C@H]1CCC[C@H]1NC(=O)C1(CCOC)CC1
398246511	ZINC000391601912	ref	1.34	-11.17	0	208.265	0.12	2	3	4	CCN1C[C@H](NCc2cc[nH]n2)CC1=O
343994393	ZINC000625559308	ref	2.45	-9.55	0	229.301	1.751	1	3	4	C/C=C/CNS(=O)(=O)c1cc(C)oc1C
197596987	ZINC000290104839	ref	5.82	-37.86	1	251.345	3.027	2	1	5	C[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc(F)c1
343994397	ZINC000625559066	ref	1.57	-6.59	0	249.314	1.559	0	5	3	C1CC(c2nc(CN3CCC4(COC4)C3)no2)C1
168365150	ZINC000033985770	ref	-3.78	-52.1	0	155.175	-0.847	1	4	3	C[C@@H]([NH3+])COS(=O)(=O)[O-]
365622721	ZINC000336542697	low	4.92	-36.26	1	250.342	2.291	1	3	3	Cc1nc(C[N@H+]2C[C@H](C3CC3)O[C@H](C)C2)oc1C
197596992	ZINC000290105511	ref	6.97	-16.13	0	293.342	2.642	1	3	2	CC1(C)CN(C(=O)Nc2cccc(F)n2)[C@@H]1[C@@H]1CCCO1
342082654	ZINC000625333887	mid	3.61	-38.8	1	299.459	1.334	2	3	10	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)C(=O)NCCCOC
168365152	ZINC000062237582	ref	-1.07	-89.19	1	132.163	-0.864	2	2	3	C[C@@H]([NH3+])C[C@@H]([NH3+])C(=O)[O-]
168365155	ZINC000062237582	high	-1.39	-64.25	0	132.163	-0.864	2	3	3	C[C@@H]([NH3+])C[C@@H](N)C(=O)[O-]
342082657	ZINC000625333887	high	2.71	-7.73	0	299.459	1.334	1	4	10	CCN1CCC[C@@H]1CN(CC)[C@H](C)C(=O)NCCCOC
342082658	ZINC000608879477	ref	5.34	-10.44	0	262.269	1.72	1	5	5	CCC[C@@H](C#N)NC(=O)c1cc([N+](=O)[O-])cnc1C
342082659	ZINC000238007685	ref	6.66	-40.18	1	299.418	1.474	3	1	4	O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1[NH2+]CCc2ccccc21
342082660	ZINC000238007685	mid	6.58	-39.77	1	299.418	1.474	3	1	4	O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1[NH2+]CCc2ccccc21
342082661	ZINC000238007685	mid	6.66	-40.18	1	299.418	1.474	3	2	4	O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1NCCc2ccccc21
342082662	ZINC000238007685	mid	6.58	-39.77	1	299.418	1.474	3	2	4	O=C(NC[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1NCCc2ccccc21
342082663	ZINC000618182720	ref	5.19	-16.18	0	299.436	1.85	0	3	2	O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@@H](C2CCCCC2)C1
342082665	ZINC000625333335	ref	0.56	-10.86	0	292.773	1.009	1	6	4	Cn1ncc(Cl)c1S(=O)(=O)NCc1ccns1
342082666	ZINC000608877136	ref	8.03	-14.7	0	286.331	1.813	0	4	2	COC(=O)[C@@H]1CCN(C(=O)c2cccc3c2ccn3C)C1
342082667	ZINC000625333351	ref	1.28	-14.46	0	278.399	1.233	1	5	7	CO[C@H](CS(=O)(=O)NCc1ccns1)C(C)C
342082668	ZINC000625333351	high	0.91	-40.96	-1	278.399	1.233	0	5	7	CO[C@H](CS(=O)(=O)[N-]Cc1ccns1)C(C)C
342082669	ZINC000625333562	ref	6.33	-15.88	0	284.4	1.71	1	3	9	CCC[C@H](OCC)C(=O)NCCCN1CCCCC1=O
342082670	ZINC000608886441	ref	5.54	-13.12	0	272.389	1.422	2	3	7	CC(C)OC(=O)CCNC(=O)C[N@H+](C)CC(C)(C)C
342082671	ZINC000608886441	mid	6.82	-43.67	1	272.389	1.422	2	3	7	CC(C)OC(=O)CCNC(=O)C[N@@H+](C)CC(C)(C)C
178292219	ZINC000082784246	ref	2.9	-11.76	0	291.756	1.943	1	4	4	CC[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1Cl
342082672	ZINC000608886441	high	5.54	-13.12	0	272.389	1.422	1	4	7	CC(C)OC(=O)CCNC(=O)CN(C)CC(C)(C)C
342082673	ZINC000150757015	ref	3.74	-46.76	1	276.336	1.074	2	3	4	C[C@]1(C(=O)NCCc2ccc3c(c2)OCO3)CC[NH2+]C1
168365165	ZINC000083357084	ref	7.29	-2.38	0	229.726	4.327	1	1	5	CCC(CC)CNc1c(F)cccc1Cl
346818930	ZINC000601316477	mid	8.13	-51.81	1	280.375	2.077	1	3	3	N#CCCN1CC[NH+]([C@@H]2CCc3ccc(C#N)cc32)CC1
178292225	ZINC000082784245	ref	2.54	-13.41	0	275.301	1.428	1	4	4	CC[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1F
342082675	ZINC000625333238	ref	2.72	-13.8	0	293.429	1.68	1	4	9	CCC[C@H](CNS(=O)(=O)C[C@@H]1CCCCO1)OCC
178292228	ZINC000082786214	ref	5.74	-33.67	0	256.099	1.72	1	2	1	O=C([O-])[C@@H]1[NH2+]CCc2c(Br)cccc21
178292232	ZINC000082786214	high	4.38	-44.24	-1	256.099	1.72	1	3	1	O=C([O-])[C@@H]1NCCc2c(Br)cccc21
168365171	ZINC000271770141	ref	5.57	-41.89	1	239.334	2.885	2	1	7	CCC(CC)C[NH2+][C@H](CO)c1ccc(F)cc1
168365173	ZINC000021040277	ref	6.79	-2.65	0	241.762	4.197	1	2	6	CCC(CC)CNc1cc(Cl)ccc1OC
168365176	ZINC000302903805	ref	7.28	-7.01	0	227.311	3.278	1	3	5	CCC(CC)CNc1c(C#N)cccc1C#N
342082676	ZINC000150757046	ref	4.16	-43.11	1	276.336	1.216	2	3	4	O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1
365622703	ZINC000617386224	ref	6.75	-19.04	0	281.247	0.889	0	6	3	CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@@](F)(C#N)C2)n1
343994391	ZINC000139306579	ref	4.11	-5.82	0	196.294	1.343	1	2	2	CC(C)[C@H]1NCC(=O)N1C1CCCC1
342082678	ZINC000150757046	high	2.83	-12.63	0	276.336	1.216	2	4	4	O=C(NCCc1ccc2c(c1)OCO2)[C@@H]1CCCCN1
342082679	ZINC000625333644	ref	3.59	-58.58	1	297.424	1.15	1	3	4	Cc1cnccc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@H]1C
342082680	ZINC000625333889	ref	4.65	-31.58	1	299.459	1.334	2	3	10	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)C(=O)NCCCOC
168365186	ZINC000128400018	ref	4.26	-4.48	0	209.293	2.333	1	4	6	CCC(CC)CNc1cc(OC)ncn1
343994390	ZINC000079943182	mid	5.97	-44.15	1	293.411	2.087	2	3	10	CC[C@H](C)[N@@H+](C)CCNC(=O)CCCOc1cccnc1
343994398	ZINC000079940340	ref	8.11	-44.05	1	289.423	2.401	3	1	6	CC(C)NC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1
343994405	ZINC000079940340	mid	7.28	-44.0	1	289.423	2.401	3	1	6	CC(C)NC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1
365622704	ZINC000274323572	ref	4.52	-14.44	0	273.292	1.754	1	5	5	CCC(=O)CNC(=O)c1c(-c2ccccn2)noc1C
214190079	ZINC000278495928	ref	6.92	-13.09	0	323.458	2.678	0	3	4	CCCc1ccc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)cc1
168365161	ZINC000005141739	ref	-2.45	-45.96	1	182.223	0.57	4	3	2	C[C@@H]([NH3+])Cc1cc(O)c(O)cc1N
342082681	ZINC000625333889	mid	3.6	-31.9	1	299.459	1.334	2	3	10	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)C(=O)NCCCOC
168365166	ZINC000071424351	ref	5.36	-42.14	1	189.262	1.463	1	2	2	C[C@@H]([NH3+])Cc1ccc2c(c1)ncn2C
197600982	ZINC000290120389	ref	6.91	-10.17	0	297.398	3.084	2	2	5	Cc1ccc(C)c(CC(=O)N[C@H](C)[C@@H](O)c2ccccc2)c1
342082684	ZINC000625333889	high	2.47	-6.13	0	299.459	1.334	1	4	10	CCN(C[C@H]1CCCN1CC)[C@@H](C)C(=O)NCCCOC
342082685	ZINC000625333364	ref	1.57	-10.99	0	262.309	1.051	2	3	2	CC[C@@H]1C(=O)NCCN1C(=O)c1c(C)cccc1O
342082686	ZINC000625333364	high	2.33	-47.2	-1	262.309	1.051	1	3	2	CC[C@@H]1C(=O)NCCN1C(=O)c1c(C)cccc1[O-]
342082687	ZINC000625333636	ref	3.71	-56.12	1	297.424	1.15	1	3	4	Cc1cnccc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@@H]1C
342082688	ZINC000625333609	ref	4.82	-18.19	0	262.313	1.559	2	4	6	Cc1nnc(CCNC(=O)C[C@H](C)c2ccco2)[nH]1
342082689	ZINC000625333609	mid	4.45	-14.45	0	262.313	1.559	2	4	6	Cc1n[nH]c(CCNC(=O)C[C@H](C)c2ccco2)n1
342082690	ZINC000625333647	ref	3.59	-53.99	1	297.424	1.15	1	3	4	Cc1cnccc1C[NH2+][C@@H]1CCN(S(C)(=O)=O)C[C@H]1C
342082691	ZINC000625332457	ref	2.66	-10.25	0	273.354	1.717	0	4	5	COCCC1CCN(S(=O)(=O)c2ccoc2)CC1
342082692	ZINC000157767661	ref	5.99	-10.81	0	298.726	1.137	0	5	2	COC(=O)[C@@H]1CN(C(=O)c2cc(Cl)ccn2)C[C@@H](C)O1
342082693	ZINC000619472801	ref	3.18	-10.27	0	272.282	1.068	1	5	6	C=CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1OC
342082694	ZINC000619472801	high	2.89	-42.23	-1	272.282	1.068	0	5	6	C=CC[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1OC
342082695	ZINC000625333825	ref	5.53	-12.98	0	292.379	1.872	0	4	8	COCCCN(Cc1ccncc1)C(=O)C1CC(OC)C1
342082697	ZINC000625332739	ref	7.07	-42.53	1	265.405	1.43	1	4	6	CCN(Cc1nnc(C)n1C)C[C@@H]1CCC[N@@H+]1CC
178292221	ZINC000236991731	ref	8.2	-51.6	1	357.462	1.311	2	6	7	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC(C[NH2+]C)CC1
199273167	ZINC000294964554	ref	3.59	-11.94	0	290.26	2.165	1	2	2	C[C@@H]1CN(Cc2ccc(F)c(C(F)(F)F)c2)CC(=O)N1
365622705	ZINC000121845432	ref	4.25	-9.42	0	273.336	2.362	2	4	5	CCC[C@@](C)(O)C(=O)Nc1ccc(-n2cccn2)cc1
178292224	ZINC000236985682	ref	5.67	-48.54	1	367.515	1.85	1	3	6	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC([NH2+]C)CC2)c1
199273169	ZINC000294963538	ref	5.45	-46.55	1	283.755	1.916	2	3	6	COC(=O)C1(C[NH2+][C@H](CO)c2ccc(Cl)cc2)CC1
178292229	ZINC000236991638	ref	7.48	-55.56	1	359.478	1.685	2	6	9	CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[C@H]([NH3+])C(C)C
199273171	ZINC000294963538	high	4.31	-8.79	0	283.755	1.916	2	4	6	COC(=O)C1(CN[C@H](CO)c2ccc(Cl)cc2)CC1
178292233	ZINC000236993846	ref	7.53	-45.75	1	362.47	1.923	2	4	9	CCOc1ccc(C[C@H](CNC(=O)CC2CC[NH2+]CC2)C(=O)OC)cc1
343994392	ZINC000599271320	ref	2.51	-8.59	0	281.443	1.615	1	4	6	CC[C@@H](CSC)NS(=O)(=O)[C@@H]1COC(C)(C)C1
178292236	ZINC000236992113	ref	3.32	-50.81	1	359.517	1.047	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC[NH2+]C2)s1
178292239	ZINC000236993882	ref	7.98	-51.29	1	362.474	1.67	1	5	6	CCOC(=O)c1ccc(N2CCCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC2)nc1
168365167	ZINC000071424351	low	5.84	-91.96	2	189.262	1.463	1	1	2	C[C@@H]([NH3+])Cc1ccc2c(c1)[nH+]cn2C
199273173	ZINC000294963801	ref	4.06	-28.55	1	253.371	1.614	2	3	4	CNc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)s1
199273175	ZINC000294963733	ref	2.22	-44.75	1	250.323	2.016	2	4	4	O[C@H]1C[C@@H]([NH2+]Cc2cnc(-c3ccco3)s2)C1
178292243	ZINC000236993882	high	7.65	-10.44	0	362.474	1.67	1	6	6	CCOC(=O)c1ccc(N2CCCN(C(=O)[C@H](N)[C@@H](C)CC)CC2)nc1
343994396	ZINC000599271805	ref	6.33	-9.91	0	269.341	1.211	0	4	6	COC(=O)[C@H](C)CN(C(=O)C1CC(OC)C1)C1CC1
199273177	ZINC000294963733	high	0.92	-8.27	0	250.323	2.016	2	5	4	O[C@H]1C[C@@H](NCc2cnc(-c3ccco3)s2)C1
398246514	ZINC000391601912	mid	2.55	-53.26	1	208.265	0.12	2	2	4	CCN1C[C@H]([NH2+]Cc2cc[nH]n2)CC1=O
214190083	ZINC000278495113	ref	6.9	-9.59	0	319.361	2.584	1	4	2	O=C(Nc1ccc(F)cn1)C(=O)N1CCC[C@@H]1c1ccsc1
365622710	ZINC000121852744	ref	6.14	-15.71	0	265.284	2.119	0	3	1	C[C@@H]1CC[C@@H](C(=O)N2CCOc3ccc(F)cc32)O1
349535799	ZINC000618814423	ref	6.32	-13.76	0	288.351	1.633	0	5	7	CN(Cc1cn(C)nn1)C(=O)CCCOc1ccccc1
398246517	ZINC000230767008	ref	8.04	-45.79	0	227.348	2.656	1	2	6	CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC(=O)[O-])C1
365622709	ZINC000274319353	ref	4.0	-12.52	0	266.301	1.187	2	5	6	CCOC(=O)C[C@@H](C)CNC(=O)Nc1cncnc1
214190084	ZINC000293638373	ref	4.19	-17.99	0	358.391	0.772	0	5	4	COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C2=O)c(F)cc1C
349535800	ZINC000621245896	ref	4.92	-36.83	1	275.352	2.245	1	4	7	C[NH2+][C@@H](C)Cc1noc(COCc2ccccc2C)n1
185090091	ZINC000096076577	ref	5.79	-38.59	1	296.392	0.921	1	4	1	C[N@@H+]1CCOC[C@]2(CN(C(=O)c3cccs3)CCO2)C1
214190090	ZINC000293645766	ref	1.67	-71.48	1	374.441	0.04	2	5	6	O=C1COc2ccc(C[NH2+][C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2N1
365622717	ZINC000274322265	ref	2.67	-10.53	0	263.297	1.311	1	4	4	CC[C@@]1(C)NC(=O)N(Cc2ccc(OC)cn2)C1=O
365622728	ZINC000274320935	ref	2.16	-12.13	0	263.265	1.222	1	3	5	CCC(=O)CNS(=O)(=O)c1cccc(F)c1F
185090093	ZINC000096076577	mid	5.93	-37.61	1	296.392	0.921	1	4	1	C[N@H+]1CCOC[C@]2(CN(C(=O)c3cccs3)CCO2)C1
185090095	ZINC000096076577	high	4.12	-8.21	0	296.392	0.921	0	5	1	CN1CCOC[C@@]2(C1)CN(C(=O)c1cccs1)CCO2
365622736	ZINC000274320935	mid	2.07	-49.21	-1	263.265	1.222	0	3	5	CCC(=O)C[N-]S(=O)(=O)c1cccc(F)c1F
185090097	ZINC000096075960	ref	6.39	-46.0	1	292.354	1.762	1	2	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1ccccc1F)C2
290009569	ZINC000414224050	ref	6.02	-34.22	1	280.437	3.389	1	3	4	C[C@H]([NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1nccs1
185090099	ZINC000096075960	mid	6.5	-43.56	1	292.354	1.762	1	2	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1ccccc1F)C2
365622742	ZINC000274321874	ref	3.0	-19.13	0	293.327	1.219	2	5	3	CCOC(=O)N[C@H]1CCCN(C(=O)Nc2cncnc2)C1
185090101	ZINC000096075960	mid	3.54	-13.92	0	292.354	1.762	0	3	4	COCCN1CC[C@]12CCN(C(=O)c1ccccc1F)C2
365622752	ZINC000274322231	ref	-0.34	-11.55	0	291.298	1.301	2	5	5	Cn1nc(C(=O)NC(C)(C)C(C)(C)O)cc1OC(F)F
342600598	ZINC000616999816	ref	2.79	-36.96	1	265.357	1.833	2	3	3	Cc1nc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)co1
342600599	ZINC000616999816	mid	2.74	-36.78	1	265.357	1.833	2	3	3	Cc1nc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)co1
214190093	ZINC000293645766	mid	0.49	-15.5	0	374.441	0.04	2	6	6	O=C1COc2ccc(CN[C@@H]3CC(=O)N(CCN4CCOCC4)C3)cc2N1
214190097	ZINC000293645766	low	4.1	-124.59	2	374.441	0.04	3	4	6	O=C1COc2ccc(C[NH2+][C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2N1
290009581	ZINC000414224050	high	5.45	-3.68	0	280.437	3.389	1	4	4	C[C@H](N[C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1)c1nccs1
343994395	ZINC000139386355	ref	2.8	-2.13	0	128.215	1.97	1	1	2	C/C(=C\[C@@H](C)O)C(C)C
346818931	ZINC000589954103	ref	8.39	-8.91	0	263.406	3.427	1	2	5	CC(C)c1ccc(SCC(=O)N[C@@H]2C[C@@H]2C)cc1
343994401	ZINC000139349721	ref	4.89	-7.61	0	195.218	1.702	1	3	3	CCOC(=O)c1cc(C(C)=O)c(C)[nH]1
214190087	ZINC000278495571	ref	7.39	-11.13	0	316.243	2.101	1	7	5	C[C@H](Cn1cncn1)Nc1cc(C(F)(F)F)ncc1[N+](=O)[O-]
365622715	ZINC000617375216	ref	3.11	-11.78	0	298.383	0.413	1	4	6	CCN1C[C@H](C(=O)N[C@H](COC)C2CCOCC2)CC1=O
214190091	ZINC000278495836	ref	7.1	-46.44	1	306.431	2.125	2	4	5	C[C@H]1CCSCC[N@@H+]1C[C@H](O)COc1ccc(C#N)cc1
214190094	ZINC000278495836	mid	6.71	-47.73	1	306.431	2.125	2	4	5	C[C@H]1CCSCC[N@H+]1C[C@H](O)COc1ccc(C#N)cc1
214190096	ZINC000278495836	high	5.69	-8.96	0	306.431	2.125	1	5	5	C[C@H]1CCSCCN1C[C@H](O)COc1ccc(C#N)cc1
346818936	ZINC000589953882	ref	8.9	-14.87	0	299.37	3.215	1	3	4	C[C@@H]1C[C@@H]1NC(=O)COc1ccc2oc3c(c2c1)CCCC3
398246515	ZINC000649444224	ref	7.36	-6.33	0	216.28	3.464	0	2	1	C=C(C)c1ccc2c(c1)C(=O)CC(C)(C)O2
214190100	ZINC000278495815	ref	8.84	-9.21	0	304.415	3.076	0	5	5	CCOC1CC(Sc2nc3ccccc3c(=O)n2CC)C1
398246518	ZINC000649444218	ref	5.1	-6.44	0	217.19	3.142	0	2	2	C=C(C)c1cnc(C(F)(F)F)c(OC)c1
282120274	ZINC000248954249	ref	2.62	-9.18	0	305.382	1.947	0	7	6	CCCn1cc(CN2C[C@H](OC)C[C@H]2c2nc(C)no2)cn1
342082698	ZINC000625332739	mid	6.8	-45.05	1	265.405	1.43	1	4	6	CCN(Cc1nnc(C)n1C)C[C@@H]1CCC[N@H+]1CC
214190110	ZINC000278495833	ref	6.66	-47.7	1	306.431	2.125	2	4	5	C[C@@H]1CCSCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1
214190114	ZINC000278495833	mid	7.1	-46.85	1	306.431	2.125	2	4	5	C[C@@H]1CCSCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1
214190117	ZINC000278495833	high	5.24	-9.63	0	306.431	2.125	1	5	5	C[C@@H]1CCSCCN1C[C@@H](O)COc1ccc(C#N)cc1
282120281	ZINC000248949729	ref	-0.64	-12.08	0	315.439	1.016	3	6	8	CCc1nc(NC(=O)CN(C[C@H](C)O)[C@H](C)CO)sc1C
342082699	ZINC000625333803	ref	6.44	-19.98	0	284.323	1.042	2	5	4	Cc1cc(C(=O)NCCc2nnc(C)[nH]2)c2nccn2c1
342082701	ZINC000625333803	high	6.07	-16.07	0	284.323	1.042	2	5	4	Cc1cc(C(=O)NCCc2nc(C)n[nH]2)c2nccn2c1
342082702	ZINC000608886545	ref	4.57	-21.04	0	274.324	1.436	3	4	4	CCNC(=O)NC(=O)CNc1cccc2c1ccn2C
342082704	ZINC000625332523	ref	3.25	-9.73	0	286.416	1.275	1	4	6	CC(C)OC[C@@H]1CN(CC(=O)NCC(C)(C)C)CCO1
365622725	ZINC000336542699	ref	3.1	-6.44	0	250.342	2.291	0	4	3	Cc1nc(CN2C[C@H](C)O[C@@H](C3CC3)C2)oc1C
398246520	ZINC000070244292	ref	8.2	-11.7	0	235.327	2.549	0	2	4	Cc1ccc(OCC(=O)N(C)C(C)C)c(C)c1
398246524	ZINC000285142358	ref	4.39	-14.97	0	208.261	0.137	1	2	2	C#CCNC(=O)[C@H]1CCCCN1C(C)=O
282120277	ZINC000424362774	ref	4.82	-55.3	-1	337.8	2.648	1	4	7	CCC(CC)(CNS(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-]
178292244	ZINC000236995928	ref	7.48	-51.66	1	353.426	1.856	2	5	6	CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
282120287	ZINC000424362774	mid	4.87	-122.13	-2	337.8	2.648	0	4	7	CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1F)C(=O)[O-]
178292246	ZINC000236995928	high	7.19	-13.92	0	353.426	1.856	2	6	6	CC[C@@H](C)[C@H](N)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
398246527	ZINC000001417047	ref	4.1	-11.18	0	222.273	1.363	0	6	1	O=c1c2nnsc2ncn1C1CCCC1
398246532	ZINC000191995264	ref	7.41	-8.79	0	222.288	2.411	0	4	5	C=C(C)C[C@H](C)C(=O)Oc1cnn(CC)c1
398246535	ZINC000417635884	ref	2.69	-51.63	1	227.352	1.602	3	1	5	C[C@@H](CC[NH3+])NC(=O)N[C@H](C)C1CCCC1
282120292	ZINC000165040309	ref	3.38	-60.57	-1	303.384	0.898	1	6	7	CCC(CC)(CNS(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]
282120299	ZINC000165040309	high	3.04	-137.8	-2	303.384	0.898	0	6	7	CCC(CC)(C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]
398246538	ZINC000191994619	ref	4.31	-9.8	0	241.287	1.388	0	2	3	C#CCN(C)S(=O)(=O)c1cc(C)ccc1F
214190089	ZINC000337636113	ref	3.48	-9.72	0	284.306	2.42	3	2	5	C[C@H](Cc1cccc(O)c1)NC(=O)NC1(C(F)F)CC1
365622731	ZINC000336542699	low	5.06	-36.04	1	250.342	2.291	1	3	3	Cc1nc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)oc1C
349535801	ZINC000602431356	ref	5.02	-11.13	0	248.326	2.564	0	4	8	N#CCCN(CCC[C@H]1CCO1)Cc1ccco1
398246544	ZINC000191989484	ref	6.61	-4.53	0	229.323	2.149	1	1	2	CO[C@H]1CCC[N@H+](CC#Cc2ccccc2)C1
398246547	ZINC000191989484	mid	8.87	-36.11	1	229.323	2.149	1	1	2	CO[C@H]1CCC[N@@H+](CC#Cc2ccccc2)C1
398246551	ZINC000191989484	mid	6.61	-4.53	0	229.323	2.149	0	2	2	CO[C@H]1CCCN(CC#Cc2ccccc2)C1
365622738	ZINC000336542699	low	5.3	-36.14	1	250.342	2.291	1	3	3	Cc1nc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)oc1C
282120303	ZINC000424393072	ref	5.35	-53.75	-1	343.445	2.481	1	5	8	CCC(CC)(CNS(=O)(=O)c1cc(C)c(OC)cc1C)C(=O)[O-]
398246553	ZINC000417636700	ref	0.55	-51.18	1	243.351	0.696	3	2	5	CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@]1(C)CCOC1
398246557	ZINC000191985382	ref	8.34	-33.51	1	242.366	2.064	1	1	2	C[NH+](C)[C@@H]1CCCN(CC#Cc2ccccc2)C1
342598326	ZINC000590813440	ref	2.82	-15.54	0	293.298	1.623	2	4	4	CCO[C@@H]1COC[C@H]1NC(=O)Nc1ccc(F)c(C#N)c1
342598327	ZINC000590813573	ref	3.95	-10.52	0	278.312	1.248	2	5	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cnc(C)nc1
210256352	ZINC000272863771	ref	4.24	-14.77	0	305.378	1.106	1	4	5	COc1ccc(C)cc1NC(=O)CN1CCCN(C=O)CC1
342598328	ZINC000590813707	ref	4.48	-45.31	1	250.346	1.023	1	3	3	CC(C)[NH2+][C@H]1CCCN(C(=O)c2cnn(C)c2)C1
210256357	ZINC000272863771	low	6.35	-46.87	1	305.378	1.106	2	3	5	COc1ccc(C)cc1NC(=O)C[N@@H+]1CCCN(C=O)CC1
342598329	ZINC000616989362	ref	5.69	-42.21	1	254.374	1.402	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCO2)C1
210256361	ZINC000272863771	low	6.35	-46.57	1	305.378	1.106	2	3	5	COc1ccc(C)cc1NC(=O)C[N@H+]1CCCN(C=O)CC1
342598330	ZINC000616989362	mid	5.75	-42.61	1	254.374	1.402	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCO2)C1
210256368	ZINC000272863075	ref	-2.64	-14.57	0	306.409	0.547	3	5	6	CC[C@@](C)(CO)NC(=O)c1cc(S(=O)(=O)NC)cs1
214190095	ZINC000337634198	ref	1.29	-12.38	0	273.354	0.717	2	5	7	C[C@@H](CO)N(C[C@@H](C)O)C(=O)COc1ccsc1
342598331	ZINC000590814451	ref	6.12	-12.98	0	251.33	1.327	0	4	5	CC(C)CO[C@H](C)C(=O)N1CC(n2cccn2)C1
342598332	ZINC000590814416	ref	4.89	-13.41	0	269.304	1.61	0	4	2	O=C(c1ccc2c(c1)COC2)N1CC(n2cccn2)C1
342598333	ZINC000590814282	ref	5.87	-15.45	0	299.33	1.28	0	5	3	O=C(Cc1ccc2c(c1)OCCO2)N1CC(n2cccn2)C1
349535803	ZINC000602431356	low	7.48	-51.22	1	248.326	2.564	1	3	8	N#CCC[N@H+](CCC[C@H]1CCO1)Cc1ccco1
214190099	ZINC000337637007	ref	6.71	-8.38	0	282.334	3.023	2	1	5	Cc1ccccc1C[C@H](C)NC(=O)NC1(C(F)F)CC1
214190102	ZINC000337636858	ref	4.22	-9.82	0	288.269	2.301	2	2	6	O=C(NCCOc1cccc(F)c1)NC1(C(F)F)CC1
290623044	ZINC000492524898	ref	7.71	-11.0	0	274.364	2.431	0	3	4	Cc1ccc(/C=C/C(=O)N(C)C[C@H]2CCCCO2)nc1
214190106	ZINC000337634321	ref	6.64	-7.87	0	284.444	3.317	2	2	10	CCOCCC1(CNC(=O)N[C@@H](C)C[C@@H](C)CC)CC1
210256371	ZINC000272862332	ref	7.1	-16.27	0	318.373	1.569	0	5	4	COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCC(Oc2cc(C)ccn2)CC1
214190111	ZINC000337635665	ref	-0.9	-12.03	0	270.314	0.078	3	5	4	NC(=O)c1cc(CNC(=O)N[C@@H]2CCSC2)on1
210256379	ZINC000272863189	ref	9.47	-46.36	1	316.445	2.19	1	2	5	CC1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)COC1
342598334	ZINC000590813589	ref	3.68	-8.73	0	258.387	1.606	2	3	4	CS[C@@H](C)CNC(=O)N[C@H]1CC12CCOCC2
214190101	ZINC000293638554	ref	2.93	-17.32	0	372.374	0.348	1	6	6	COC(=O)c1cc(S(=O)(=O)NCCN2C(=O)CCC2=O)c(F)cc1C
349535805	ZINC000602431356	low	7.5	-51.55	1	248.326	2.564	1	3	8	N#CCC[N@@H+](CCC[C@H]1CCO1)Cc1ccco1
365622726	ZINC000617377670	ref	1.58	-8.65	0	279.34	0.956	1	5	5	COC[C@@H](NC(=O)c1cnc(C)cn1)C1CCOCC1
365622739	ZINC000617375406	ref	1.79	-16.06	0	280.324	0.959	2	4	5	COC[C@@H](NC(=O)c1ccc[nH]c1=O)C1CCOCC1
349535810	ZINC000258959804	ref	6.13	-33.9	1	214.272	2.207	1	3	3	Cc1[nH+]c2cc(NCCC#N)ccc2n1C
365622746	ZINC000617375503	ref	2.87	-11.28	0	298.383	0.413	1	4	5	COC[C@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C1CCOCC1
349535816	ZINC000258959804	mid	5.69	-15.12	0	214.272	2.207	1	4	3	Cc1nc2cc(NCCC#N)ccc2n1C
190492079	ZINC000269411420	ref	6.23	-63.18	1	282.384	2.334	1	2	5	CC(C)(C)[S@](=O)CC[NH2+]Cc1ccc(C#N)cc1F
190492080	ZINC000269411420	mid	4.86	-17.92	0	282.384	2.334	1	3	5	CC(C)(C)[S@](=O)CCNCc1ccc(C#N)cc1F
349535820	ZINC000602431393	ref	7.2	-40.38	1	243.347	1.687	1	3	6	CCC[C@H](C[NH+]1CCC(C(=O)OC)CC1)OC
349535823	ZINC000602431393	high	4.77	-6.03	0	243.347	1.687	0	4	6	CCC[C@H](CN1CCC(C(=O)OC)CC1)OC
349535826	ZINC000602431541	ref	8.48	-43.83	1	231.343	3.091	2	1	5	C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1c1ccc[nH]1
365622753	ZINC000617378302	ref	2.98	-8.36	0	257.33	0.913	1	4	7	COC[C@H](NC(=O)CCC(C)=O)C1CCOCC1
342082705	ZINC000625333637	ref	3.57	-58.2	1	297.424	1.15	1	3	4	Cc1cnccc1C[NH2+][C@H]1CCN(S(C)(=O)=O)C[C@@H]1C
342082706	ZINC000619472802	ref	4.12	-13.53	0	252.339	1.687	1	3	5	CC(C)CNS(=O)(=O)c1cccc(CC#N)c1
290009588	ZINC000423277442	ref	6.61	-129.69	2	315.23	3.366	2	0	4	C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(Br)c1
349535829	ZINC000602431541	mid	8.51	-41.81	1	231.343	3.091	2	1	5	C[C@H](CCC#N)C[N@H+]1CCC[C@@H]1c1ccc[nH]1
349535833	ZINC000258951438	ref	5.37	-44.13	-1	237.259	0.79	0	6	3	CN(c1ncncc1C(=O)[O-])C1CCOCC1
349535835	ZINC000258996412	ref	7.97	-56.78	1	202.301	2.295	1	1	6	CCc1ccc(CC[NH2+]CCC#N)cc1
349535840	ZINC000258996412	mid	6.62	-7.24	0	202.301	2.295	1	2	6	CCc1ccc(CCNCCC#N)cc1
349535844	ZINC000258970048	ref	9.31	-43.14	0	237.274	2.122	1	2	5	C[N@H+](Cc1cccc(F)c1)CC1(C(=O)[O-])CC1
365622763	ZINC000617387467	ref	2.2	-14.19	0	252.314	0.293	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C[C@H]2CC(=O)N2)CCO1
349535847	ZINC000258970048	mid	9.26	-39.07	0	237.274	2.122	1	2	5	C[N@@H+](Cc1cccc(F)c1)CC1(C(=O)[O-])CC1
365622772	ZINC000617378118	ref	0.98	-8.94	0	265.313	0.648	1	5	5	COC[C@@H](NC(=O)c1cnccn1)C1CCOCC1
178292248	ZINC000236995443	ref	2.83	-55.05	1	367.496	1.566	3	4	9	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)NCc2cccs2)cc1
398246521	ZINC000649444174	ref	6.57	-3.51	0	204.313	3.279	1	1	4	C=C(C)c1ccccc1C[C@@H](O)C(C)C
178292251	ZINC000236996149	ref	7.26	-66.03	1	350.404	1.214	2	7	8	CC[NH2+]CCNC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1
185090109	ZINC000096078151	ref	6.29	-14.84	0	290.363	2.287	0	3	1	CC(=O)N1CCCCC12CCN(C(=O)c1ccco1)CC2
365622727	ZINC000121986848	ref	5.5	-44.89	-1	250.273	2.153	0	3	4	CCN(C[C@H](C)C#N)C(=O)c1c([O-])cccc1F
365622740	ZINC000121986848	mid	4.74	-12.23	0	250.273	2.153	1	3	4	CCN(C[C@H](C)C#N)C(=O)c1c(O)cccc1F
365622745	ZINC000121951698	ref	7.72	-13.91	0	268.401	2.328	1	2	5	CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC(C)C
365622759	ZINC000121974682	ref	6.05	-41.51	1	282.428	2.185	2	2	7	COCCC1(C(=O)NCC[NH+]2CCCCCC2)CCC1
178292253	ZINC000236992222	ref	7.95	-55.36	-1	360.267	1.972	0	6	5	CCN(CC(=O)[O-])C(=O)c1nnn(-c2ccccc2F)c1C(F)(F)F
365622770	ZINC000121974682	high	4.05	-7.37	0	282.428	2.185	1	3	7	COCCC1(C(=O)NCCN2CCCCCC2)CCC1
365622780	ZINC000121911003	ref	8.51	-13.36	0	299.378	2.468	1	5	4	C[C@@H](C(=O)Nc1ccccc1N1CCCCC1)n1cncn1
185090111	ZINC000096075922	ref	8.63	-38.77	1	286.301	2.17	1	3	2	CC[N@@H+]1CC[C@]12CCN(c1nccc(C(F)(F)F)n1)C2
178305538	ZINC000065531134	low	8.39	-36.25	1	238.294	2.62	1	3	1	Cc1cc2ncn(-c3cccc(N)[nH+]3)c2cc1C
214190104	ZINC000293638554	high	2.86	-56.56	-1	372.374	0.348	0	6	6	COC(=O)c1cc(S(=O)(=O)[N-]CCN2C(=O)CCC2=O)c(F)cc1C
365622796	ZINC000121975084	ref	6.54	-9.81	0	292.354	2.117	1	2	4	CC(C)CNC(=O)[C@@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1
365622806	ZINC000121928168	ref	6.63	-7.93	0	263.337	2.251	0	4	4	COC(=O)CN1C[C@@H](C)C[C@@H]1c1ccc(OC)cc1
185090113	ZINC000096075922	mid	8.7	-38.38	1	286.301	2.17	1	3	2	CC[N@H+]1CC[C@]12CCN(c1nccc(C(F)(F)F)n1)C2
185090114	ZINC000096075922	high	5.63	-6.96	0	286.301	2.17	0	4	2	CCN1CC[C@]12CCN(c1nccc(C(F)(F)F)n1)C2
214190108	ZINC000293642970	ref	2.4	-17.58	0	358.402	0.577	3	7	4	Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)c1
365622818	ZINC000121928168	mid	7.56	-33.84	1	263.337	2.251	1	3	4	COC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1c1ccc(OC)cc1
365622822	ZINC000121928168	mid	8.34	-37.62	1	263.337	2.251	1	3	4	COC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1c1ccc(OC)cc1
365622830	ZINC000121844852	ref	4.43	-13.38	0	269.272	2.059	2	4	4	CCOC(=O)C(C)(C)C(=O)Nc1ccc(O)cc1F
398246522	ZINC000650860490	ref	2.77	-13.69	0	291.326	1.445	3	3	6	CCc1n[nH]cc1C(=O)NC[C@H](O)Cc1cccc(F)c1
185090115	ZINC000096078001	ref	9.34	-9.01	0	287.392	2.182	0	6	2	c1cnc(N2CCC23CCN(c2nccs2)CC3)nc1
398246526	ZINC000650864666	ref	5.67	-8.27	0	254.374	1.796	1	2	4	CCC[C@H](NC(=O)[C@H]1CCN(C)C1=O)C(C)(C)C
398246528	ZINC000650864099	ref	3.46	-6.73	0	269.433	1.565	1	3	5	CCC[C@H](NC(=O)CN1CCN(C)CC1)C(C)(C)C
365622730	ZINC000625033307	ref	5.36	-12.51	0	315.373	2.245	1	5	4	CCc1c(C(=O)N[C@@H]2CCOc3c(OC)cccc32)cnn1C
398246530	ZINC000650864099	mid	5.84	-35.73	1	269.433	1.565	2	2	5	CCC[C@H](NC(=O)CN1CC[NH+](C)CC1)C(C)(C)C
185090119	ZINC000096075954	ref	4.46	-41.22	1	275.352	1.018	1	3	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1cccnc1)C2
214190107	ZINC000053605347	ref	8.59	-41.06	1	330.394	2.816	1	2	8	FC(F)(F)COCCC[NH+]1CCN(CCc2ccccc2)CC1
398246533	ZINC000650862773	ref	3.58	-9.64	0	282.384	1.671	2	3	6	O=C(NCCOC[C@@H]1CCOC1)NC1CC2(CCC2)C1
323004219	ZINC000566507659	ref	1.12	-46.5	1	241.335	0.145	3	2	5	CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@H](C(N)=O)C1
398246537	ZINC000650864639	ref	4.7	-8.31	0	252.362	1.947	2	4	4	CCC[C@H](NC(=O)c1cnn(C)c1N)C(C)(C)C
365622735	ZINC000625037847	ref	7.27	-20.02	0	305.422	2.138	1	2	4	CN(C[C@H]1CC=CCC1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
398246539	ZINC000650863814	ref	5.71	-12.5	0	279.365	1.92	1	5	2	C[C@@H](NC(=O)c1cnc2sccn2c1=O)C(C)(C)C
214190109	ZINC000053605347	mid	8.45	-40.38	1	330.394	2.816	1	2	8	FC(F)(F)COCCCN1CC[NH+](CCc2ccccc2)CC1
398246542	ZINC000650863921	ref	4.71	-15.8	0	288.351	1.342	1	5	3	C[C@@H](NC(=O)Cn1nnc2ccccc2c1=O)C(C)(C)C
185090120	ZINC000096075954	mid	4.57	-40.04	1	275.352	1.018	1	3	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1cccnc1)C2
398246545	ZINC000650862859	ref	3.74	-9.04	0	282.384	1.671	2	3	7	O=C(NCCOC[C@H]1CCOC1)NC1(C2CCC2)CC1
349535806	ZINC000618815074	ref	5.57	-17.79	0	295.346	1.741	2	4	4	N#Cc1ccc2c(c1)CC[C@H]2NC(=O)NCCn1cccn1
349535813	ZINC000106892794	ref	4.89	-13.7	0	297.376	1.697	1	4	4	COC(=O)C1CCC(NS(=O)(=O)c2ccccc2)CC1
398246549	ZINC000650860084	ref	2.79	-8.37	0	294.351	1.839	1	5	4	CCOc1nc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)co1
342082707	ZINC000625334215	ref	3.43	-8.09	0	278.418	1.368	1	3	10	CCC[C@@H](CNS(=O)(=O)N(C)CC1CC1)OCC
365622748	ZINC000625038054	ref	7.24	-17.72	0	305.422	2.114	1	2	3	O=C1[C@@H](NC(=O)N2CCC[C@@H]2C2CCC2)CCN1C1CCC1
214190112	ZINC000293642563	ref	2.77	-28.52	0	371.434	0.438	1	4	6	CN(C(=O)CCNC(=O)c1ccc(F)cc1)[C@H]1CCN(S(C)(=O)=O)C1
210256383	ZINC000272863189	mid	9.48	-45.69	1	316.445	2.19	1	2	5	CC1(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)COC1
342082708	ZINC000608878257	ref	5.55	-17.0	0	269.308	1.703	1	4	3	Cc1cc(C(=O)N(CC#N)C2CC2)c2c(C)[nH]nc2n1
214190115	ZINC000293642968	ref	2.43	-17.81	0	358.402	0.577	3	7	4	Cc1nnnn1-c1cccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@@H]2C)c1
398246523	ZINC000649444319	ref	6.56	-4.84	0	218.296	3.025	0	2	4	C=C(C)c1cccc(CO[C@H]2CCOC2)c1
343994400	ZINC000625559066	low	3.97	-36.85	1	249.314	1.559	1	4	3	C1CC(c2nc(C[N@@H+]3CCC4(COC4)C3)no2)C1
214190120	ZINC000293638369	ref	4.31	-14.5	0	358.391	0.772	0	5	4	COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C2=O)c(F)cc1C
365622737	ZINC000343719790	ref	0.61	-9.35	0	247.163	1.071	2	2	3	O=C(NC[C@@H](O)C(F)(F)F)C1CC(F)(F)C1
210256386	ZINC000272863189	high	7.67	-8.71	0	316.445	2.19	0	3	5	CC1(C(=O)N2CCCN(CCCc3ccccc3)CC2)COC1
365622750	ZINC000576542632	ref	2.02	-6.11	0	240.332	0.704	0	5	2	CC[C@@H]1CN(C)CCN1C(=O)c1csnn1
214190123	ZINC000293645635	ref	1.36	-14.26	0	357.461	0.718	1	7	7	CCn1nc(C)c(C(=O)NCCN(C)S(=O)(=O)c2cccs2)n1
398246525	ZINC000649444270	ref	1.88	-8.76	0	203.241	1.944	1	2	3	C=C(C)c1ccc(O[C@@H]2CC(=O)N2)cc1
398246529	ZINC000649444214	ref	7.13	-7.53	0	204.248	2.843	0	2	1	Cc1cccc(-c2cnn(C)c2C)c1F
214190128	ZINC000293648229	ref	2.15	-13.73	0	367.409	0.581	3	5	4	Cc1ccnc(CNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)c1
214190133	ZINC000293642796	ref	2.4	-15.73	0	353.444	0.712	1	4	2	C[C@H]1CN(C(=O)C2CCN(S(N)(=O)=O)CC2)Cc2ccccc2O1
210256390	ZINC000272862323	ref	2.1	-12.19	0	312.41	2.455	3	4	11	CCC[C@H](CCO)CNC(=O)N[C@@H](CCOC)c1ccco1
214190136	ZINC000293644189	ref	5.35	-30.08	0	366.443	0.506	1	7	9	COCC[S@](=O)Cc1cccc(NC(=O)CCn2ncn(C)c2=O)c1
342082709	ZINC000150757027	ref	3.64	-47.09	1	276.336	1.074	2	3	4	C[C@@]1(C(=O)NCCc2ccc3c(c2)OCO3)CC[NH2+]C1
342082711	ZINC000625333590	ref	6.67	-12.92	0	286.375	1.836	1	2	3	CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C)c1
342082712	ZINC000608879476	ref	5.34	-10.43	0	262.269	1.72	1	5	5	CCC[C@H](C#N)NC(=O)c1cc([N+](=O)[O-])cnc1C
342082713	ZINC000625332733	ref	7.83	-33.65	1	265.405	1.43	1	4	6	CCN(Cc1nnc(C)n1C)C[C@H]1CCC[N@@H+]1CC
342082714	ZINC000625332733	mid	6.65	-42.04	1	265.405	1.43	1	4	6	CCN(Cc1nnc(C)n1C)C[C@H]1CCC[N@H+]1CC
342082715	ZINC000625332673	ref	5.08	-38.72	1	287.4	1.308	0	5	7	CC(C)OC[C@H]1CN(CCOC2CCOCC2)CCO1
365622743	ZINC000336542724	ref	6.94	-8.07	0	294.395	2.254	0	3	3	CO[C@@H]1CCN2C(=O)N(CC3CCC(C)CC3)C(=O)[C@@H]2C1
214190113	ZINC000053605347	high	6.2	-5.61	0	330.394	2.816	0	3	8	FC(F)(F)COCCCN1CCN(CCc2ccccc2)CC1
342082716	ZINC000625332673	mid	4.68	-37.49	1	287.4	1.308	1	4	7	CC(C)OC[C@H]1C[N@H+](CCOC2CCOCC2)CCO1
365622751	ZINC000336543498	ref	5.92	-13.9	0	285.347	2.202	1	3	2	C[C@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H](C2CC2)O1
342082717	ZINC000625332673	mid	5.08	-38.72	1	287.4	1.308	1	4	7	CC(C)OC[C@H]1C[N@@H+](CCOC2CCOCC2)CCO1
342082718	ZINC000625333526	ref	6.26	-15.79	0	284.4	1.71	1	3	9	CCC[C@@H](OCC)C(=O)NCCCN1CCCCC1=O
365622762	ZINC000336543120	ref	6.34	-10.73	0	278.4	2.306	1	3	3	Cc1c(CNC(=O)N2CCC[C@H](C(C)C)C2)cnn1C
282120278	ZINC000151568454	mid	6.32	-38.78	1	311.47	2.223	3	2	8	COCCC1(CNC(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1
343994402	ZINC000599272969	ref	5.02	-11.35	0	290.367	1.903	1	5	5	CC(C)C[C@@H](C#N)NC(=O)c1ccn(C2CCOCC2)n1
342082719	ZINC000625333273	ref	1.0	-38.08	1	253.346	1.324	2	4	7	COc1cncc(C[N@H+](C)[C@H](CO)CC(C)C)n1
178292273	ZINC000082784251	ref	3.06	-12.22	0	291.756	1.943	1	4	4	CC[C@H](C)OC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
290009599	ZINC000423277442	high	5.31	-46.48	1	315.23	3.366	2	1	4	C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(F)c(Br)c1
185090121	ZINC000096075954	mid	1.6	-12.72	0	275.352	1.018	0	4	4	COCCN1CC[C@]12CCN(C(=O)c1cccnc1)C2
185090123	ZINC000096077971	ref	5.81	-30.37	1	280.437	2.435	1	3	5	COCC[N@@H+]1CCC12CCN(Cc1cccs1)CC2
342082720	ZINC000625333273	mid	1.61	-36.52	1	253.346	1.324	2	4	7	COc1cncc(C[N@@H+](C)[C@H](CO)CC(C)C)n1
342082721	ZINC000625333273	mid	-0.06	-5.92	0	253.346	1.324	1	5	7	COc1cncc(CN(C)[C@H](CO)CC(C)C)n1
185090126	ZINC000096077971	mid	5.86	-31.82	1	280.437	2.435	1	3	5	COCC[N@H+]1CCC12CCN(Cc1cccs1)CC2
185090127	ZINC000096077971	mid	5.23	-36.97	1	280.437	2.435	1	3	5	COCCN1CCC12CC[NH+](Cc1cccs1)CC2
365622774	ZINC000336543068	ref	6.39	-16.75	0	289.339	2.016	1	5	3	C[C@@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ncn(C)n1
365622786	ZINC000336543206	ref	5.67	-39.05	-1	297.355	2.46	0	4	4	CCn1nccc1[N-]S(=O)(=O)c1c(C)cc(F)cc1C
398246531	ZINC000649444293	ref	6.71	-7.62	0	202.253	3.075	0	2	1	C=C(C)c1ccc2c(c1)C(=O)CCCO2
398246534	ZINC000649444221	ref	4.05	-10.86	0	239.34	2.687	0	3	2	C=C(C)c1ccc(S(=O)(=O)C(C)(C)C)nc1
178292255	ZINC000236996851	ref	4.43	-45.88	1	353.488	1.475	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCC[NH2+]2)cc1
342598335	ZINC000590813600	ref	5.14	-10.15	0	292.339	1.816	2	5	5	CC(C)OC(=O)[C@H](C)NC(=O)Nc1cnc(C2CC2)nc1
342598336	ZINC000590813435	ref	4.94	-41.34	1	251.33	1.586	1	3	3	Cc1cc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)on1
342598337	ZINC000590827742	ref	4.19	-15.73	0	253.327	1.769	2	4	5	CSCCNC(=O)Nc1ccc(C(C)=O)cn1
365622749	ZINC000641590751	ref	2.42	-11.24	0	284.381	1.7	1	4	6	COc1cnccc1CNS(=O)(=O)CC1(C)CCC1
342598338	ZINC000590813431	ref	2.64	-46.19	1	298.431	1.204	3	2	8	CC(C)[NH2+][C@H]1CCCN(C(=O)CCCCCNC(N)=O)C1
299072382	ZINC000358087211	ref	3.21	-9.32	0	314.332	1.517	3	3	6	COC[C@H](CO)NC(=O)NC1CC(c2cc(F)cc(F)c2)C1
342598339	ZINC000590814176	ref	4.08	-13.31	0	281.266	1.251	0	5	3	Cn1ncc(C(=O)N2CC(n3cccn3)C2)c1C(F)F
214190116	ZINC000337632844	ref	10.52	-36.98	1	288.435	3.123	1	1	5	CC[NH+](CC)CC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C
214190119	ZINC000337632844	high	8.47	-8.34	0	288.435	3.123	0	2	5	CCN(CC)CC(=O)N1CC[C@H](c2ccccc2)C[C@H]1C
214190124	ZINC000337634141	ref	5.57	-20.07	0	299.461	2.193	1	3	8	C[C@@H](SCc1ccccc1)C(=O)NCCC[S@@](C)=O
214190127	ZINC000337637140	ref	8.91	-10.21	0	276.286	3.022	0	2	4	CCN(Cc1c(F)cccc1F)C(=O)c1ccccn1
342598340	ZINC000616989591	ref	4.35	-45.5	1	277.368	1.637	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1
214190130	ZINC000337635337	ref	7.31	-15.65	0	289.343	0.959	2	6	3	Cc1cc(N(C)C)nc(NC(=O)Nc2cc(C)n(C)n2)n1
214190134	ZINC000337636380	ref	3.78	-9.18	0	254.33	0.227	1	3	4	CC[C@H](C)[C@@H](O)C(=O)N1CCN(C2CC2)C(=O)C1
210256398	ZINC000272863589	ref	7.19	-40.78	1	302.418	1.885	3	2	6	C[C@@](O)(CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccccc1
282120279	ZINC000449149324	high	6.24	-52.1	-1	298.427	2.255	1	4	6	C[C@H]1CC[C@@H](C)N1CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]
214190141	ZINC000337635267	ref	8.9	-8.7	0	297.28	3.308	2	2	4	Cc1ccccc1CCC(=O)Nc1nc(C(F)(F)F)c[nH]1
214190145	ZINC000337635267	mid	8.82	-7.51	0	297.28	3.308	2	2	4	Cc1ccccc1CCC(=O)Nc1ncc(C(F)(F)F)[nH]1
342598341	ZINC000616989591	mid	4.4	-45.84	1	277.368	1.637	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)[nH]c2)C1
342600600	ZINC000590851835	ref	5.31	-56.63	-1	297.376	1.655	1	4	7	CCC[C@H](CNC(=O)c1ccc([S@](C)=O)cc1)C(=O)[O-]
178292260	ZINC000236996851	high	3.1	-13.29	0	353.488	1.475	2	4	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCCN2)cc1
365622754	ZINC000625038138	ref	4.3	-10.28	0	317.373	2.404	0	3	4	CCC(C)(C)CS(=O)(=O)N1C[C@H](C)O[C@H](C(F)(F)F)C1
178292264	ZINC000236987620	ref	5.34	-52.09	1	357.458	1.978	2	5	7	CCOCc1ccccc1CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C
178292267	ZINC000236986291	ref	6.54	-36.74	1	367.515	1.85	1	3	7	CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)N2CCC[C@@H]2C[NH2+]C)c1
342082722	ZINC000625333241	ref	2.81	-10.41	0	293.429	1.68	1	4	9	CCC[C@@H](CNS(=O)(=O)C[C@@H]1CCCCO1)OCC
365622764	ZINC000625033519	ref	7.05	-20.35	0	307.438	2.36	1	2	4	CC(C)C[C@H]1CCCN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365622775	ZINC000625036945	ref	7.34	-17.78	0	307.438	2.362	1	2	4	CN(CC1CCCCC1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365622785	ZINC000625037848	ref	7.48	-18.62	0	305.422	2.138	1	2	4	CN(C[C@@H]1CC=CCC1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365622794	ZINC000625031904	ref	7.45	-17.33	0	319.449	2.361	1	2	2	C[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC12CCC2
365622802	ZINC000625038140	ref	4.28	-10.1	0	317.373	2.404	0	3	4	CCC(C)(C)CS(=O)(=O)N1C[C@H](C)O[C@@H](C(F)(F)F)C1
365622809	ZINC000625038141	ref	4.28	-10.13	0	317.373	2.404	0	3	4	CCC(C)(C)CS(=O)(=O)N1C[C@@H](C(F)(F)F)O[C@H](C)C1
365622816	ZINC000625036855	ref	5.91	-18.27	0	307.438	2.265	2	2	4	C[C@@H]1CCCC[C@H]1CNC(=O)N[C@@H]1CCN(C2CCC2)C1=O
282952220	ZINC000127640378	ref	5.03	-8.37	0	301.415	2.521	1	4	4	CC[C@@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2)s1
365622824	ZINC000625035792	ref	3.16	-11.55	0	314.341	2.352	1	5	4	COc1ccc(C(=O)N[C@@H]2CCOc3c(OC)cccc32)cn1
365622829	ZINC000625033858	ref	4.79	-11.77	0	320.418	2.076	0	5	4	CC[C@@H]1C[C@@H](C)CN1S(=O)(=O)c1cnnn1-c1ccccc1
214190125	ZINC000278494229	ref	5.28	-5.28	0	304.257	2.51	0	4	3	CC[C@@H]1CN(Cc2c(Br)cnn2C)CCS1
178292269	ZINC000236995193	ref	3.35	-50.05	1	359.517	1.508	2	4	7	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)N2CCC(C)CC2)s1
365622841	ZINC000625034935	ref	6.72	-9.77	0	303.468	2.499	0	3	8	CCO[C@@H](CS(=O)(=O)N1CC[C@@H](CC(C)C)C1)C1CC1
168365169	ZINC000071485734	ref	2.81	-45.22	1	176.263	1.933	2	1	2	C[C@@H]([NH3+])C[C@H]1CNc2ccccc21
342082723	ZINC000238030874	ref	3.73	-97.58	2	261.369	1.274	2	1	4	[NH3+]CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1
342082724	ZINC000238030874	high	3.36	-52.13	1	261.369	1.274	2	2	4	N[C@H](CC(=O)N1CCC(C[NH3+])CC1)c1ccccc1
343994403	ZINC000625559066	low	4.01	-36.96	1	249.314	1.559	1	4	3	C1CC(c2nc(C[N@H+]3CCC4(COC4)C3)no2)C1
136228559	ZINC000191583515	ref	2.45	-14.43	0	241.335	0.411	1	3	5	CC[C@@H](C)NC(=O)[C@H](C)N1CC(=O)N(CC)C1
136228560	ZINC000191583527	ref	2.45	-14.44	0	241.335	0.411	1	3	5	CC[C@H](C)NC(=O)[C@H](C)N1CC(=O)N(CC)C1
168365170	ZINC000039090346	ref	2.91	-41.93	1	190.246	1.894	2	1	3	C[C@@H]([NH3+])COc1c[nH]c2ccccc12
197597052	ZINC000290105673	ref	5.65	-17.64	0	289.339	0.896	1	6	4	CCn1ccnc1[C@H]1OCC[C@@H]1NC(=O)c1cncn1C
168365172	ZINC000075542975	ref	4.0	-95.95	2	156.273	1.066	2	0	2	C[C@@H]([NH3+])C[C@@H]1CCC[N@H+](C)C1
168365174	ZINC000075542975	mid	3.57	-96.37	2	156.273	1.066	2	0	2	C[C@@H]([NH3+])C[C@@H]1CCC[N@@H+](C)C1
197597056	ZINC000290104697	ref	6.48	-13.51	0	291.395	3.143	2	3	7	COCCC(C)(C)CNC(=O)Nc1cc(C2CC2)ccn1
214190122	ZINC000053605132	ref	2.04	-12.82	0	336.417	1.792	1	6	4	CC(C)c1nc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)no1
214190126	ZINC000053600689	ref	4.88	-13.64	0	344.461	3.264	2	5	6	O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](O)c1ccccc1
178292271	ZINC000236994737	ref	8.21	-53.75	-1	359.426	1.811	1	6	10	CCOc1ccc(C[C@H](CNC(=O)CCc2cnn(C)c2)C(=O)[O-])cc1
214190132	ZINC000053593536	ref	4.16	-9.74	0	328.463	1.842	1	7	4	CNc1nnc(SCC(=O)N2CCO[C@@H]3CCCC[C@H]32)s1
168365175	ZINC000075881404	ref	3.27	-48.15	1	176.219	1.284	1	2	3	C[C@@H]([NH3+])COc1ccc(C#N)cc1
342082725	ZINC000625333593	ref	7.04	-14.89	0	286.375	1.836	1	2	3	CC[C@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@H]1c1cccc(C)c1
178305542	ZINC000130722592	ref	8.25	-10.35	0	230.311	2.832	0	3	2	Cc1cc2ncn(C[C@@H]3CCCO3)c2cc1C
136229412	ZINC000293335835	ref	6.79	-6.92	0	218.3	2.758	0	3	5	C#CCCCc1nc(CC2CCCC2)no1
168365177	ZINC000059732136	ref	1.34	-47.21	1	199.275	0.808	1	2	3	C[C@@H]([NH3+])CS(=O)(=O)c1ccccc1
342082726	ZINC000625333614	ref	0.91	-11.77	0	289.407	1.64	1	6	5	CCc1ncc(S(=O)(=O)NCc2ccns2)s1
342082727	ZINC000625333614	high	0.52	-39.43	-1	289.407	1.64	0	6	5	CCc1ncc(S(=O)(=O)[N-]Cc2ccns2)s1
342082728	ZINC000625332519	ref	3.24	-9.97	0	286.416	1.275	1	4	6	CC(C)OC[C@H]1CN(CC(=O)NCC(C)(C)C)CCO1
342082729	ZINC000625333575	ref	3.47	-11.27	0	272.251	1.568	1	3	3	CC[C@H]1C(=O)NCCN1C(=O)c1ccc(C(F)F)o1
342082730	ZINC000608886470	ref	3.72	-21.71	0	260.297	1.046	3	4	3	CNC(=O)NC(=O)CNc1cccc2c1ccn2C
342082731	ZINC000618182719	ref	5.19	-16.11	0	299.436	1.85	0	3	2	O=C([C@H]1CCS(=O)(=O)C1)N1CC[C@H](C2CCCCC2)C1
168365178	ZINC000059732136	high	1.03	-9.5	0	199.275	0.808	1	3	3	C[C@@H](N)CS(=O)(=O)c1ccccc1
168365179	ZINC000006036847	ref	4.01	-39.3	1	135.21	1.576	1	0	2	C[C@@H]([NH3+])Cc1ccccc1
210256401	ZINC000272863589	mid	7.11	-40.47	1	302.418	1.885	3	2	6	C[C@@](O)(CC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)c1ccccc1
178292276	ZINC000236996945	ref	3.65	-48.09	1	367.515	1.851	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1
178292280	ZINC000236989086	ref	7.07	-43.49	1	361.486	1.338	2	3	9	CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCC[NH2+]CCOC
178292283	ZINC000236989086	high	5.67	-13.86	0	361.486	1.338	2	4	9	CC[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCNCCOC
178292286	ZINC000236989705	ref	3.86	-51.56	1	350.438	1.662	4	2	7	CCC[C@H](NC(=O)NCc1ccc(F)cc1)C(=O)N[C@H]1CCC[NH2+]C1
178292288	ZINC000237000741	ref	4.71	-50.21	1	352.523	1.153	1	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1
214190129	ZINC000278494229	low	7.49	-41.6	1	304.257	2.51	1	3	3	CC[C@@H]1C[N@H+](Cc2c(Br)cnn2C)CCS1
214190131	ZINC000278494229	low	7.39	-42.02	1	304.257	2.51	1	3	3	CC[C@@H]1C[N@@H+](Cc2c(Br)cnn2C)CCS1
178292292	ZINC000237000741	mid	6.92	-93.79	2	352.523	1.153	2	2	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1
178292294	ZINC000237000741	high	4.42	-12.97	0	352.523	1.153	1	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1
178292296	ZINC000236995278	ref	4.85	-53.13	1	367.515	1.693	2	3	7	CC[NH2+]CCNC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cc1
210256404	ZINC000272863376	ref	5.65	-9.72	0	318.421	2.013	1	4	1	Cc1nn(C)c(C)c1NC(=O)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21
168365181	ZINC000082780111	ref	4.51	-46.69	1	186.258	2.125	1	1	2	C[C@@H]([NH3+])Cc1ccc2cnccc2c1
178292304	ZINC000236997141	ref	4.85	-42.67	1	367.515	1.723	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1
178292307	ZINC000236992193	ref	3.13	-54.87	1	373.544	1.565	2	4	8	CCN(CC)S(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)s1
178292310	ZINC000236991048	ref	3.45	-56.98	1	359.348	1.934	2	3	6	CCC[C@@H]([NH3+])C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
214190135	ZINC000278494358	ref	4.57	-8.95	0	322.405	3.254	0	5	5	CCOc1ccc(CN2CCO[C@H](c3nccs3)C2)cc1F
342082733	ZINC000625332672	ref	5.02	-38.79	1	287.4	1.308	0	5	7	CC(C)OC[C@@H]1CN(CCOC2CCOCC2)CCO1
168365184	ZINC000044460866	ref	1.41	-39.92	1	151.213	0.554	2	2	2	C[C@@H]([NH3+])Cc1cccnc1N
342082734	ZINC000625332672	mid	5.1	-38.71	1	287.4	1.308	1	4	7	CC(C)OC[C@@H]1C[N@H+](CCOC2CCOCC2)CCO1
365622755	ZINC000576542632	mid	4.37	-39.73	1	240.332	0.704	1	4	2	CC[C@@H]1C[N@H+](C)CCN1C(=O)c1csnn1
398246536	ZINC000649444149	ref	3.84	-9.07	0	225.313	2.4	1	2	3	C=C(C)c1ccc(NS(C)(=O)=O)c(C)c1
365622761	ZINC000576542632	mid	4.99	-40.2	1	240.332	0.704	1	4	2	CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1csnn1
365622769	ZINC000576543875	ref	8.49	-5.49	0	249.398	3.365	1	1	5	CC1(C)CCC[C@H]1CNC(=O)C(C1CC1)C1CC1
365622778	ZINC000576544048	ref	7.36	-5.3	0	247.317	3.396	1	3	5	CCCc1c(NCC)cnn1-c1ccc(F)cc1
365622784	ZINC000576543964	ref	5.23	-6.55	0	221.222	1.894	1	1	2	C[C@H]1[C@H](C(=O)N[C@@H]2CCC[C@@H]2F)C1(F)F
365622791	ZINC000576543951	ref	5.23	-6.75	0	221.222	1.894	1	1	2	C[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[C@@H]2F)C1(F)F
365622801	ZINC000576546134	ref	-1.47	-9.69	0	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1
365622807	ZINC000576546134	mid	0.81	-41.3	1	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@H+]1CC[C@H](CO)[C@H](O)C1
365622815	ZINC000576546134	high	-1.47	-9.69	0	244.335	-0.47	2	4	5	CCN(C)C(=O)CCN1CC[C@H](CO)[C@H](O)C1
398246540	ZINC000649444277	ref	3.71	-7.75	0	230.193	2.137	1	3	1	Cc1cc(-c2cc(C(F)(F)F)[nH]n2)nn1C
365622820	ZINC000576551228	ref	6.96	-4.33	0	236.359	4.046	0	3	7	C=C(C)CCc1noc([C@](C)(CC)CCC)n1
365622831	ZINC000576550615	ref	0.88	-40.29	1	237.303	0.829	2	3	6	CC[C@@](C)(CNc1cc[nH+]cc1C(N)=O)OC
365622839	ZINC000576550615	mid	0.41	-9.16	0	237.303	0.829	2	4	6	CC[C@@](C)(CNc1ccncc1C(N)=O)OC
365622846	ZINC000576549180	ref	8.09	-4.68	0	249.402	4.185	1	3	8	C=C(C)CCNc1cnn(C(CC)CC)c1CC
365622861	ZINC000576543963	ref	5.28	-6.45	0	221.222	1.894	1	1	2	C[C@H]1[C@@H](C(=O)N[C@@H]2CCC[C@@H]2F)C1(F)F
365622868	ZINC000576541869	ref	4.53	-8.0	0	230.327	2.611	2	1	3	CC(C)C(C)(C)NC(=O)N[C@H]1CC[C@H](F)C1
398246541	ZINC000649444277	mid	3.69	-8.28	0	230.193	2.137	1	3	1	Cc1cc(-c2cc(C(F)(F)F)n[nH]2)nn1C
365622875	ZINC000175918376	ref	5.01	-15.09	0	244.298	2.036	2	3	3	Cc1[nH]ccc1C(=O)Nc1ccc(N(C)C)cn1
365622891	ZINC000576547227	ref	6.85	-40.86	1	245.363	1.98	1	3	8	COC(=O)COC[C@H](C)[NH2+]CCCC(C)(C)C
342082735	ZINC000625332672	mid	5.02	-38.79	1	287.4	1.308	1	4	7	CC(C)OC[C@@H]1C[N@@H+](CCOC2CCOCC2)CCO1
365622901	ZINC000576552240	ref	5.9	-9.34	0	249.358	2.661	1	3	4	CC(C)n1ccc(CNC(=O)C2(C)CCCC2)n1
365622909	ZINC000576547174	ref	8.29	-39.02	1	218.344	2.868	1	1	3	Cc1cnccc1C[N@H+]1CC[C@@H](C(C)C)C1
365622918	ZINC000576547174	mid	8.23	-39.23	1	218.344	2.868	1	1	3	Cc1cnccc1C[N@@H+]1CC[C@@H](C(C)C)C1
214190138	ZINC000053607661	ref	6.0	-13.2	0	348.34	2.553	0	3	6	O=C(c1cccc(F)c1)N1CCN(CCCOCC(F)(F)F)CC1
214190142	ZINC000053607661	mid	8.19	-55.07	1	348.34	2.553	1	2	6	O=C(c1cccc(F)c1)N1CC[NH+](CCCOCC(F)(F)F)CC1
342082736	ZINC000238013919	ref	5.99	-50.11	-1	291.351	1.274	2	4	3	O=C([O-])C1CCC(NC(=O)[C@H]2CCc3c[nH]nc3C2)CC1
214190146	ZINC000053602096	ref	8.58	-10.23	0	337.448	3.64	2	5	2	O[C@H]1Cc2ccccc2[C@H]1Nc1ncnc2sc3c(c12)CCCC3
214190150	ZINC000053593533	ref	4.17	-9.81	0	328.463	1.842	1	7	4	CNc1nnc(SCC(=O)N2CCO[C@H]3CCCC[C@@H]32)s1
342082737	ZINC000625332712	ref	3.53	-7.96	0	255.406	1.271	1	2	7	CCN(CC(=O)N(C)CC)C[C@@H]1CCC[N@@H+]1CC
214190155	ZINC000053604070	ref	2.16	-17.53	0	344.44	1.619	2	5	7	CN(CC(=O)NC1CC1)Cc1csc(-c2ccc(C(N)=O)cc2)n1
214190159	ZINC000053606979	ref	6.15	-50.84	1	338.37	1.526	1	3	6	O=C(C1CC[NH+](CCCOCC(F)(F)F)CC1)N1CCOCC1
214190165	ZINC000053607807	ref	7.25	-19.65	0	338.835	2.855	1	3	5	C[C@H]1CCCC[C@H]1N(C)C(=O)COc1ccc(Cl)cc1C(N)=O
214190170	ZINC000053607965	ref	3.8	-12.81	0	337.468	1.569	0	6	7	CCN(CC)C(=O)CN1CCCN(Cc2noc(C(C)C)n2)CC1
214190175	ZINC000053607965	mid	6.06	-38.79	1	337.468	1.569	1	5	7	CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2noc(C(C)C)n2)CC1
214190180	ZINC000053607965	mid	5.19	-37.14	1	337.468	1.569	1	5	7	CCN(CC)C(=O)C[N@H+]1CCCN(Cc2noc(C(C)C)n2)CC1
214190183	ZINC000053597438	ref	4.04	-11.71	0	333.461	2.122	1	5	3	CC(C)(C)c1nc(CN2CCN(C(=O)c3cc[nH]n3)CC2)cs1
214190187	ZINC000053597438	mid	3.86	-9.12	0	333.461	2.122	1	5	3	CC(C)(C)c1nc(CN2CCN(C(=O)c3ccn[nH]3)CC2)cs1
214190191	ZINC000053608496	ref	5.1	-12.28	0	325.375	2.035	0	3	7	CCN(CC)C(=O)N1CCN(CCCOCC(F)(F)F)CC1
349535808	ZINC000621246213	ref	4.01	-32.65	1	267.373	2.068	1	4	6	C[NH2+][C@@H](C)Cc1noc(C2(COC)CCCCC2)n1
214190196	ZINC000053608496	mid	7.29	-51.56	1	325.375	2.035	1	2	7	CCN(CC)C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1
214190199	ZINC000053607692	ref	4.4	-11.42	0	332.379	2.29	0	5	4	CC(C)c1nc(CN2CCN(C(=O)c3cccc(F)c3)CC2)no1
214190205	ZINC000053596884	ref	6.62	-12.7	0	327.479	2.46	1	7	9	CCCNc1nnc(SCC(=O)N(CC)C[C@H](C)C#N)s1
342082738	ZINC000625332712	mid	6.89	-32.5	1	255.406	1.271	1	2	7	CCN(CC(=O)N(C)CC)C[C@@H]1CCC[N@H+]1CC
342082739	ZINC000625332712	high	3.53	-7.96	0	255.406	1.271	0	3	7	CCN(CC(=O)N(C)CC)C[C@@H]1CCCN1CC
398246543	ZINC000649444306	ref	4.81	-9.61	0	210.298	2.513	0	2	3	C=C(C)c1ccc(S(=O)(=O)CC)cc1
210256407	ZINC000272862180	ref	3.56	-15.83	0	310.422	2.223	1	7	6	CS[C@@H](C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-]
210256411	ZINC000272863479	ref	7.1	-10.01	0	324.446	3.085	1	5	6	CCOC(=O)CC1(CNC(=O)c2csnc2C)CCCCC1
343994406	ZINC000139391596	ref	1.47	-32.53	-1	198.222	0.501	1	4	3	CCCCn1c([O-])c(C)c(=O)[nH]c1=O
343994409	ZINC000139391596	mid	1.49	-32.64	-1	198.222	0.501	1	4	3	CCCCn1c(=O)[nH]c([O-])c(C)c1=O
210256416	ZINC000272862025	ref	8.13	-44.34	1	321.49	3.376	3	2	4	Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c(C)s1
210256421	ZINC000272862025	mid	8.05	-44.57	1	321.49	3.376	3	2	4	Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c(C)s1
343994412	ZINC000139391596	low	0.74	-11.96	0	198.222	0.501	2	4	3	CCCCn1c(=O)[nH]c(O)c(C)c1=O
210256424	ZINC000272862025	high	5.69	-7.89	0	321.49	3.376	2	3	4	Cc1cc([C@@H](C)NC(=O)N[C@@H](C)C2=CCN(C)CC2)c(C)s1
214190139	ZINC000278495859	ref	2.21	-45.31	1	322.405	1.783	3	4	8	COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CCC[C@H]2CCO)c1
210256429	ZINC000272861940	ref	1.64	-9.31	0	310.354	0.435	2	6	8	CCCCCN(CCO)C(=O)C(=O)Nc1cncnc1OC
342082740	ZINC000608879208	ref	7.04	-18.71	0	274.32	1.861	1	4	5	CCOC(=O)CCNC(=O)c1cccc2c1ccn2C
214190143	ZINC000278495859	high	1.08	-12.01	0	322.405	1.783	3	5	8	COc1ccc(OC)c(NC(=O)CN[C@@H]2CCC[C@H]2CCO)c1
210256433	ZINC000272863418	ref	3.65	-8.62	0	316.348	2.377	2	3	8	CC[C@@H](NC(=O)NC[C@@H](COC)OC)c1cc(F)ccc1F
210256438	ZINC000272862373	ref	2.62	-11.62	0	324.421	2.598	3	4	7	COCC[C@H](NC(=O)NC[C@@]1(C)CCCC[C@@H]1O)c1ccco1
214190148	ZINC000278495723	ref	6.92	-34.34	1	318.417	1.989	2	3	7	COc1ccc(OC)c(CCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1
210256376	ZINC000019524552	mid	12.59	-40.36	1	382.483	5.123	1	4	5	CCn1cc(C[N@H+]2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(C)n1
210256380	ZINC000019525099	ref	3.06	-47.34	-1	378.458	1.635	1	7	6	CCn1cc(S(=O)(=O)N[C@H](c2cc(=O)n3[n-]c(C)cc3n2)C(C)C)cn1
342082741	ZINC000238030999	ref	4.25	-11.84	0	284.315	1.97	2	4	4	Nc1ccccc1C(=O)NCCc1ccc2c(c1)OCO2
342082743	ZINC000625333885	ref	4.28	-38.33	1	299.459	1.334	2	3	10	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)C(=O)NCCCOC
342082744	ZINC000625333885	mid	5.08	-33.76	1	299.459	1.334	2	3	10	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)C(=O)NCCCOC
342082747	ZINC000625333885	high	1.99	-6.91	0	299.459	1.334	1	4	10	CCN1CCC[C@H]1CN(CC)[C@@H](C)C(=O)NCCCOC
365622757	ZINC000274319356	ref	4.01	-12.55	0	266.301	1.187	2	5	6	CCOC(=O)C[C@H](C)CNC(=O)Nc1cncnc1
398246546	ZINC000649444172	ref	5.56	-9.15	0	233.311	2.486	1	2	6	C=C(C)c1cccc(C(=O)NCCOCC)c1
365622765	ZINC000274320765	ref	7.0	-44.75	1	289.383	1.672	2	3	2	C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cncnc3)C2)CC1
185090129	ZINC000096077971	low	8.17	-97.44	2	280.437	2.435	2	2	5	COCC[N@@H+]1CCC12CC[NH+](Cc1cccs1)CC2
365622773	ZINC000274323656	ref	4.53	-16.62	0	280.259	1.007	2	5	3	COC(=O)NCC(=O)Nc1nc2ccc(F)cc2n1C
365622782	ZINC000274323654	ref	1.94	-17.0	0	277.28	1.069	3	4	4	COC(=O)C1(C(=O)Nc2ccc(NC(N)=O)cc2)CC1
398246548	ZINC000649444186	ref	3.4	-8.03	0	225.313	2.018	1	2	4	C=C(C)c1ccc(S(=O)(=O)NCC)cc1
365622792	ZINC000274321966	ref	4.35	-13.93	0	281.743	1.858	2	2	2	CNC(=O)C1CN(C(=O)Nc2c(C)cccc2Cl)C1
398246550	ZINC000649444308	ref	8.11	-9.2	0	243.306	2.759	0	2	3	C=C(C)c1cccc(CN2C(=O)CCCC2=O)c1
365622799	ZINC000637717531	ref	4.78	-10.7	0	263.345	1.105	1	4	4	CC[C@H](C)N(C)C(=O)NC1CN(c2ccncn2)C1
398246554	ZINC000649444289	ref	8.23	-8.99	0	215.296	3.237	0	1	2	C=C(C)c1cccc(N2CCCCC2=O)c1
398246556	ZINC000649444240	ref	4.39	-8.23	0	216.284	1.93	1	3	3	Cc1c(-c2cccc(CCO)c2)cnn1C
342082748	ZINC000625334243	ref	4.81	-36.65	1	254.403	1.844	1	4	6	CCN(Cc1csnn1)C[C@@H]1CCC[N@@H+]1CC
398246558	ZINC000649444343	ref	7.86	-5.39	0	206.672	3.502	0	1	1	C=C(C)c1cc(Cl)c2c(c1)C(=O)CC2
168365187	ZINC000020438815	ref	1.08	-42.93	1	152.197	0.808	1	2	3	C[C@@H]([NH3+])COc1cccnc1
168365188	ZINC000044462101	ref	2.48	-40.5	1	168.24	1.235	1	2	3	C[C@@H]([NH3+])Cc1ccc(N(C)C)o1
398246560	ZINC000649444160	ref	6.1	-14.81	0	243.31	2.097	0	3	2	Cc1c(-c2cccc(C(=O)N(C)C)c2)cnn1C
185090131	ZINC000096077971	low	8.21	-97.77	2	280.437	2.435	2	2	5	COCC[N@H+]1CCC12CC[NH+](Cc1cccs1)CC2
398246563	ZINC000649444310	ref	5.37	-8.29	0	201.269	2.394	1	1	1	C=C(C)c1cccc2c1C[C@H](C)NC2=O
398246565	ZINC000649444353	ref	3.98	-10.84	0	246.31	2.157	1	4	5	Cc1c(-c2cccc(OCCCO)c2)cnn1C
398246568	ZINC000649444212	ref	5.65	-7.83	0	201.273	2.407	0	3	1	Cc1cnc(-c2cnn(C)c2C)c(C)c1
168365190	ZINC000044461702	ref	2.75	-43.22	1	159.616	1.823	1	1	2	C[C@@H]([NH3+])Cc1ccc(Cl)o1
342082749	ZINC000625334243	mid	4.63	-38.52	1	254.403	1.844	1	4	6	CCN(Cc1csnn1)C[C@@H]1CCC[N@H+]1CC
168365578	ZINC000082889526	ref	-0.04	-47.09	1	191.234	0.944	3	2	2	C[C@@H]([NH3+])[C@@H](O)c1nc2ccccc2[nH]1
398246572	ZINC000649444351	ref	4.13	-7.32	0	216.284	1.93	1	3	3	Cc1c(-c2ccccc2CCO)cnn1C
168365191	ZINC000309858820	ref	7.19	-6.48	0	221.348	3.068	1	3	5	CCC(CC)CNc1cc2n(n1)CCCC2
197597070	ZINC000290103827	ref	-0.1	-14.87	0	266.301	0.727	3	4	6	CC[C@@H](CNC(=O)Nc1cccc(C(N)=O)n1)OC
168365193	ZINC000301190408	ref	6.7	-6.54	0	237.734	3.455	1	3	5	CCC(CC)CNc1ccc(Cl)c(C#N)n1
168365194	ZINC000083369999	ref	6.74	-4.06	0	241.762	4.197	1	2	6	CCC(CC)CNc1ccc(Cl)c(OC)c1
199273174	ZINC000181262739	ref	5.33	-12.55	0	322.405	1.443	1	5	9	COCCCOCC(=O)N[C@@H]1CCN(c2ccccc2OC)C1
342598342	ZINC000590814148	ref	3.11	-14.95	0	284.275	1.427	1	5	2	O=C(c1ccc2[nH]c(=O)oc2c1)N1CC(n2cccn2)C1
214190140	ZINC000293648222	ref	6.48	-12.32	0	362.382	0.753	0	6	3	CCOC(=O)C(=O)N1CCN(C(=O)[C@@H](C)c2ccc3c(c2)OCO3)CC1
342598343	ZINC000590814538	ref	4.09	-45.71	-1	277.711	1.939	0	4	2	O=C(c1ccc([O-])c(Cl)c1)N1CC(n2cccn2)C1
342598344	ZINC000590814538	mid	3.31	-14.16	0	277.711	1.939	1	4	2	O=C(c1ccc(O)c(Cl)c1)N1CC(n2cccn2)C1
168365195	ZINC000354436828	ref	4.66	-33.44	1	201.354	2.562	2	1	7	CCC(CC)C[NH2+][C@H](CC)C(C)(C)O
342598345	ZINC000590827720	ref	6.27	-23.95	0	273.34	1.572	1	3	2	Cc1cc(=NC(=O)N2CC(C#N)C2)[nH]n1[C@@H](C)C1CC1
168365196	ZINC000376692516	ref	5.81	-48.88	1	238.375	2.213	2	1	5	CCC(CC)C[NH2+][C@H]1CCC(=O)NC12CCC2
342598346	ZINC000616989396	ref	2.92	-7.63	0	287.146	1.746	2	2	3	O=C1NCC[C@H]1C(=O)NCc1cc(Cl)cc(Cl)c1
168365197	ZINC000037059437	ref	8.21	-6.46	0	236.315	3.751	1	3	6	CCC(CC)CNc1cc([N+](=O)[O-])ccc1C
197597078	ZINC000290107706	ref	2.68	-13.71	0	251.326	1.832	2	3	4	CNC(=O)c1cccc(OC[C@@H](O)C(C)(C)C)c1
342598347	ZINC000616989912	ref	2.93	-40.89	1	278.356	1.032	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1
342598348	ZINC000616989912	mid	2.99	-41.0	1	278.356	1.032	3	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(=O)[nH]n2)C1
178292285	ZINC000082785923	ref	1.41	-9.33	0	269.37	1.583	3	4	4	CC1(NS(=O)(=O)c2ccc(NN)cc2)CCCC1
168365200	ZINC000037099387	ref	8.31	-6.2	0	249.354	3.63	1	3	6	CCC(CC)CNc1ccc(C(=O)OC)cc1C
168365202	ZINC000070633956	ref	5.63	-34.25	1	212.362	3.23	1	2	6	CCC(CC)C[NH2+][C@H](C)c1nccs1
342598349	ZINC000616989520	ref	3.84	-38.41	1	262.357	1.327	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1
342598350	ZINC000616989520	mid	3.89	-38.61	1	262.357	1.327	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1
342598351	ZINC000590813434	ref	4.81	-41.35	1	251.33	1.586	1	3	3	Cc1cc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)on1
342082750	ZINC000625334243	high	2.44	-6.12	0	254.403	1.844	0	5	6	CCN(Cc1csnn1)C[C@@H]1CCCN1CC
168365198	ZINC000368501987	ref	6.55	-18.51	0	332.403	3.24	2	3	2	Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@H]2O)c2nccc(C)c2c1
343994407	ZINC000599271576	ref	4.81	-9.32	0	276.427	1.693	0	4	4	CCC(C)(C)CS(=O)(=O)N1CCSC[C@H]1C#N
365622758	ZINC000641590634	ref	5.43	-11.59	0	263.341	1.063	1	4	4	CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)n1ccnc1
342082751	ZINC000625334012	ref	1.93	-4.84	0	277.368	1.878	0	5	3	COc1cncc(CN2CCOCC3(CCCC3)C2)n1
342082752	ZINC000625334012	mid	3.44	-41.38	1	277.368	1.878	1	4	3	COc1cncc(C[N@@H+]2CCOCC3(CCCC3)C2)n1
398246552	ZINC000650864127	ref	3.39	-11.9	0	285.294	1.968	3	2	6	CC[C@@H](NC(=O)CNC(=O)Nc1ccccc1)C(F)F
342082753	ZINC000625334012	mid	4.42	-38.0	1	277.368	1.878	1	4	3	COc1cncc(C[N@H+]2CCOCC3(CCCC3)C2)n1
342082754	ZINC000625335315	ref	4.52	-38.54	1	255.406	1.319	2	2	8	CCCNC(=O)CN(CC)C[C@@H]1CCC[N@@H+]1CC
342082755	ZINC000625335315	mid	5.58	-32.46	1	255.406	1.319	2	2	8	CCCNC(=O)CN(CC)C[C@@H]1CCC[N@H+]1CC
342082756	ZINC000625335315	high	2.22	-7.38	0	255.406	1.319	1	3	8	CCCNC(=O)CN(CC)C[C@@H]1CCCN1CC
398246555	ZINC000650863082	ref	3.76	-11.22	0	274.336	1.183	1	3	5	O=C(NCCOC[C@@H]1CCOC1)N1CCC[C@@H](F)C1
342082757	ZINC000625334398	ref	3.69	-15.23	0	289.401	1.386	1	5	9	CCC[C@H](CNS(=O)(=O)c1cn(CC)cn1)OCC
342082758	ZINC000625334398	high	3.33	-55.27	-1	289.401	1.386	0	5	9	CCC[C@H](C[N-]S(=O)(=O)c1cn(CC)cn1)OCC
398246559	ZINC000650860658	ref	4.26	-15.98	0	287.262	1.702	1	4	5	CO[C@H](C)C(=O)NCCc1ccc2c(c1)OC(F)(F)O2
398246561	ZINC000650863518	ref	6.43	-38.29	1	295.427	1.729	3	2	7	COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1(C2CCC2)CC1
342082759	ZINC000625334242	ref	3.99	-33.68	1	286.46	1.969	2	3	8	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@@H](O)COC(C)(C)C
342082760	ZINC000625334242	mid	5.12	-29.33	1	286.46	1.969	2	3	8	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@@H](O)COC(C)(C)C
365622766	ZINC000641590634	low	5.85	-36.93	1	263.341	1.063	1	3	4	CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)n1cc[nH+]c1
342082761	ZINC000625334242	mid	4.37	-34.04	1	286.46	1.969	2	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H](O)COC(C)(C)C
342082762	ZINC000625334242	mid	4.31	-34.66	1	286.46	1.969	2	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H](O)COC(C)(C)C
342082763	ZINC000238027464	ref	4.4	-112.9	2	275.396	1.664	2	1	5	[NH3+]CC1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC1
365622776	ZINC000641590342	ref	2.71	-9.61	0	252.339	1.473	1	4	2	CC(C)c1nc(C(=O)N2C[C@H]3C[C@@]3(O)C2)cs1
282120282	ZINC000533444833	low	4.26	-19.38	0	286.339	1.183	2	4	4	C[C@@H](Cn1cccn1)NC(=O)N=c1ccc(C2CC2)n[nH]1
342598352	ZINC000590814488	ref	5.42	-14.22	0	275.333	1.844	0	5	3	CC(=O)c1ccc(C(=O)N2CC(n3cccn3)C2)s1
168365201	ZINC000368505531	ref	5.34	-21.36	0	344.44	3.018	2	4	5	O=C(CCNC(=O)N1CCC[C@H]1c1nccs1)Nc1ccccc1
168365203	ZINC000368505651	ref	8.39	-15.53	0	346.39	3.181	1	5	3	Cn1cc(-c2cccc(NC(=O)[C@@H]3CCC(=O)c4ccccc43)n2)cn1
168365205	ZINC000368501986	ref	6.88	-15.96	0	332.403	3.24	2	3	2	Cc1cc(C(=O)N[C@@H]2Cc3ccccc3[C@@H]2O)c2nccc(C)c2c1
168365207	ZINC000368506857	ref	6.08	-10.72	0	325.336	3.036	0	3	3	O=S(=O)(c1cc(F)ccc1F)N1CCC=C(c2ccco2)C1
168365209	ZINC000368508263	ref	7.51	-22.09	0	343.431	3.407	0	6	6	CC[C@@H](C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1
168365211	ZINC000368502267	ref	1.58	-46.53	-1	345.829	3.018	1	5	3	O=S(=O)([N-]c1cccc2c1OCC[C@H]2O)c1ccc(Cl)s1
168365213	ZINC000368505554	ref	9.08	-61.87	1	345.418	3.056	1	3	4	CC(=O)N1CC[C@@H]([NH2+]CCc2c(C)noc2C)c2ccc(F)cc2C1
168365214	ZINC000368505554	high	8.38	-13.74	0	345.418	3.056	1	4	4	CC(=O)N1CC[C@@H](NCCc2c(C)noc2C)c2ccc(F)cc2C1
282120285	ZINC000533443886	ref	5.68	-22.47	0	289.379	1.387	1	3	5	CCC(=O)N1CC[C@@H](C(=O)N[C@@H](C)Cc2ccncc2)C1
365622781	ZINC000617373678	ref	3.03	-9.92	0	259.346	0.969	1	4	7	CC[C@H](OC)C(=O)N[C@@H](COC)C1CCOCC1
168365221	ZINC000368504081	ref	6.44	-13.43	0	330.457	3.362	1	4	4	CC(C)(CNC(=O)N1CCC[C@@H]1c1nccs1)c1ccncc1
342598353	ZINC000616989407	ref	5.07	-40.42	1	297.443	1.384	3	2	5	CC(=O)N[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
342598354	ZINC000616989407	mid	5.02	-40.3	1	297.443	1.384	3	2	5	CC(=O)N[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
168365222	ZINC000368504627	ref	8.97	-19.09	0	336.395	3.026	1	4	3	Cc1noc(C)c1CC(=O)N1CC=C(c2cc3cccnc3[nH]2)CC1
168365581	ZINC000082877841	ref	-1.93	-49.69	1	185.198	0.912	3	2	2	C[C@@H]([NH3+])[C@@H](O)c1ccc(O)c(F)c1
342598355	ZINC000616989733	ref	5.66	-39.17	1	261.369	1.932	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cccnc2)C1
178305548	ZINC000130722592	low	8.72	-28.89	1	230.311	2.832	0	2	2	Cc1cc2[nH+]cn(C[C@@H]3CCCO3)c2cc1C
342598356	ZINC000616989733	mid	5.7	-39.5	1	261.369	1.932	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cccnc2)C1
342598357	ZINC000590827769	ref	4.42	-12.55	0	281.312	1.552	2	5	5	COc1ccc(NC(=O)N[C@@H](C)C(=O)OC(C)C)nc1
365622783	ZINC000641590824	ref	4.57	-12.51	0	253.342	1.175	1	3	3	C[C@@H]1CCC[C@H](OCC(=O)N2C[C@H]3C[C@@]3(O)C2)C1
168365204	ZINC000070633956	high	5.69	-2.41	0	212.362	3.23	1	3	6	CCC(CC)CN[C@H](C)c1nccs1
178292313	ZINC000236991048	high	3.15	-20.32	0	359.348	1.934	2	4	6	CCC[C@@H](N)C(=O)N[C@@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
178292315	ZINC000236995930	ref	3.33	-60.47	1	353.488	1.605	2	3	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2([NH3+])CCCC2)cc1
178292318	ZINC000236995930	high	3.09	-13.04	0	353.488	1.605	2	4	7	CCN(CC)S(=O)(=O)c1ccc(CNC(=O)C2(N)CCCC2)cc1
178292321	ZINC000236989913	ref	8.0	-96.24	2	360.458	1.874	3	4	7	C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc21
178292323	ZINC000236989913	high	5.54	-53.45	1	360.458	1.874	2	5	7	CN(C)CCn1c(=O)oc2ccc(NC(=O)CCC3CC[NH2+]CC3)cc21
342082764	ZINC000238024663	ref	2.63	-49.82	1	292.379	1.041	2	3	8	[NH3+]C[C@@H](C(=O)NCCOC[C@H]1CCCO1)c1ccccc1
168365206	ZINC000080601089	ref	3.19	-7.7	0	236.319	1.684	2	4	6	CCC(CC)CNc1ccc(C(=O)NC)nn1
199273176	ZINC000181265700	ref	4.07	-59.56	-1	316.361	1.717	1	6	4	COc1ccc(-n2cc([O-])c(C(=O)NN3CCCCC3)n2)cc1
342082765	ZINC000238024663	high	2.29	-10.46	0	292.379	1.041	2	4	8	NC[C@@H](C(=O)NCCOC[C@H]1CCCO1)c1ccccc1
342082766	ZINC000625334444	ref	1.9	-11.07	0	278.352	1.259	1	4	2	Cc1cocc1C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
342082767	ZINC000625334444	mid	4.34	-44.27	1	278.352	1.259	2	3	2	Cc1cocc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
342082768	ZINC000625334286	ref	2.64	-10.04	0	278.418	1.368	1	3	8	CCC[C@H](CNS(=O)(=O)N1CC[C@@H](C)C1)OCC
342082769	ZINC000625334283	ref	2.92	-9.47	0	278.418	1.368	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CC[C@@H](C)C1)OCC
342082770	ZINC000608879930	ref	5.89	-10.19	0	276.296	1.966	1	5	5	Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@@H](C#N)CC(C)C
342082771	ZINC000238031426	ref	7.0	-41.42	1	299.418	1.398	2	2	2	O=C([C@H]1Cc2ccccc2CN1)N1CC[C@H]([NH+]2CCCC2)C1
199273178	ZINC000181265700	low	4.79	-16.14	0	316.361	1.717	1	6	4	COc1ccc(N2CC(=O)C(C(=O)NN3CCCCC3)=N2)cc1
342082772	ZINC000238031426	mid	8.36	-93.07	2	299.418	1.398	2	1	2	O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1
342082773	ZINC000238031426	high	4.59	-8.03	0	299.418	1.398	1	3	2	O=C([C@H]1Cc2ccccc2CN1)N1CC[C@H](N2CCCC2)C1
365622793	ZINC000641590478	ref	3.43	-9.68	0	259.296	1.795	1	2	1	CC1(C(=O)N2C[C@H]3C[C@@]3(O)C2)CCC(F)(F)CC1
168365208	ZINC000036942391	ref	8.45	-5.07	0	249.354	3.63	1	3	6	CCC(CC)CNc1ccc(C)cc1C(=O)OC
197597087	ZINC000290105444	ref	5.3	-14.52	0	289.331	1.274	1	4	3	O=C1O[C@@H](c2ccccc2)C[C@@H]1C(=O)N1CCC[C@@H]1CO
398246562	ZINC000645406965	ref	6.67	-106.55	2	240.391	1.874	1	2	6	COC(C)(C)[C@@H](C)[NH2+][C@H]1CCN(CC2CC2)C1
398246566	ZINC000645406965	low	6.61	-106.37	2	240.391	1.874	2	1	6	COC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CC2)C1
168365210	ZINC000309866117	ref	3.19	-5.13	0	222.332	2.465	2	3	7	CCC(CC)CNc1ccc(CCO)nc1
342082774	ZINC000600312075	ref	3.09	-19.45	0	282.235	1.045	2	6	5	Cc1[nH]nc(C(=O)Nc2cnn(CCF)c2)c1[N+](=O)[O-]
168365215	ZINC000308914384	ref	5.27	-33.58	1	213.365	2.563	2	1	8	CCC(CC)C[NH2+][C@H](CO)CC1CCC1
197597088	ZINC000290107103	ref	6.49	-7.2	0	276.311	3.322	0	4	5	COc1ccc(F)cc1Cc1nc([C@@H](C)C2CC2)no1
168365217	ZINC000035044321	ref	8.65	-44.79	1	246.358	2.816	1	3	6	CCC(CC)C[NH2+][C@H](C)c1nnc2ccccn12
342082775	ZINC000625334222	ref	3.85	-9.69	0	292.445	1.9	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCCC[C@@H]1C)OCC
343994408	ZINC000073770268	ref	7.5	-6.01	0	245.248	3.01	1	3	2	FC(F)(F)[C@H]1CCC[C@@H](Nc2ncccn2)C1
168365218	ZINC000035044321	high	8.68	-11.7	0	246.358	2.816	1	4	6	CCC(CC)CN[C@H](C)c1nnc2ccccn12
343994416	ZINC000220081908	ref	1.33	-9.55	0	229.276	0.613	1	4	0	CC(C)(C)OC(=O)N1C[C@H]2CO[C@@H](C1)[C@@H]2O
398246570	ZINC000645406965	low	6.67	-106.55	2	240.391	1.874	2	1	6	COC(C)(C)[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CC2)C1
197597095	ZINC000290104127	ref	5.33	-47.95	1	276.384	1.504	2	2	3	CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](c2ncc[nH]2)C1
197597097	ZINC000290104127	low	5.81	-82.69	2	276.384	1.504	2	1	3	CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1
168365220	ZINC000162099152	ref	5.92	-6.87	0	247.264	3.344	1	3	5	CCC(CC)CNc1ccc(C(F)(F)F)nn1
168365223	ZINC000310027685	ref	7.32	-49.39	1	221.348	2.224	1	2	5	CCC(CC)C[NH2+][C@H]1CCn2ccnc2C1
342082776	ZINC000625334220	ref	3.81	-9.06	0	292.445	1.9	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCCC[C@H]1C)OCC
342082777	ZINC000625334062	ref	7.03	-34.16	1	264.417	1.769	1	3	7	CCN(CCc1cnn(C)c1)C[C@@H]1CCC[N@@H+]1CC
342082778	ZINC000625334062	mid	6.86	-33.92	1	264.417	1.769	1	3	7	CCN(CCc1cnn(C)c1)C[C@@H]1CCC[N@H+]1CC
342082779	ZINC000625334062	mid	6.96	-37.14	1	264.417	1.769	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)CCc1cnn(C)c1
342082780	ZINC000625334062	mid	6.91	-37.08	1	264.417	1.769	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)CCc1cnn(C)c1
342082781	ZINC000625334241	ref	5.55	-29.14	1	254.403	1.844	1	4	6	CCN(Cc1csnn1)C[C@H]1CCC[N@@H+]1CC
214190144	ZINC000293639995	ref	5.91	-21.24	0	365.407	0.618	0	6	2	COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)c1ccc2c(c1)CCCC2=O
168365224	ZINC000368503739	ref	8.24	-44.48	1	347.503	3.251	3	2	7	CC(C)[C@@H](C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1
168365226	ZINC000368503739	high	5.86	-8.16	0	347.503	3.251	2	3	7	CC(C)[C@@H](C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1
290623046	ZINC000492524967	ref	4.64	-9.1	0	260.337	2.089	1	3	4	Cc1ccncc1/C=C/C(=O)NC[C@]1(C)CCCO1
342598358	ZINC000590813588	ref	3.68	-8.72	0	258.387	1.606	2	3	4	CS[C@H](C)CNC(=O)N[C@@H]1CC12CCOCC2
168365229	ZINC000368504009	ref	5.32	-7.56	0	328.416	3.381	1	5	5	CC(C)[C@@H](NC(=O)C1CC(C)(C)C1)c1nc(-c2ccncc2)no1
168365231	ZINC000368509220	ref	6.73	-9.26	0	345.468	3.397	0	6	5	CCc1nc2c(s1)[C@H](N(C)Cc1ccc(C(=O)OC)cn1)CCC2
168365233	ZINC000368509220	mid	9.21	-44.84	1	345.468	3.397	1	5	5	CCc1nc2c(s1)[C@H]([N@H+](C)Cc1ccc(C(=O)OC)cn1)CCC2
342598359	ZINC000590814310	ref	6.46	-15.91	0	296.33	1.392	1	4	3	O=C1Nc2ccccc2[C@@H]1CC(=O)N1CC(n2cccn2)C1
342598360	ZINC000590814305	ref	5.12	-13.7	0	283.335	1.549	1	5	4	O=C(c1ccc(NC2CC2)nc1)N1CC(n2cccn2)C1
168365234	ZINC000368509220	mid	8.89	-44.06	1	345.468	3.397	1	5	5	CCc1nc2c(s1)[C@H]([N@@H+](C)Cc1ccc(C(=O)OC)cn1)CCC2
168365236	ZINC000368504546	ref	3.8	-40.29	-1	340.807	3.225	0	3	3	CN1Cc2cccc([N-]S(=O)(=O)c3cc(F)cc(Cl)c3)c2C1
342598361	ZINC000616989408	ref	5.51	-40.13	1	297.443	1.384	3	2	5	CC(=O)N[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
342598362	ZINC000616989408	mid	5.53	-40.38	1	297.443	1.384	3	2	5	CC(=O)N[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
365622788	ZINC000617387430	ref	6.51	-16.77	0	280.368	0.738	0	3	3	CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
168365237	ZINC000368504546	mid	3.72	-7.1	0	340.807	3.225	1	3	3	CN1Cc2cccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)c2C1
197597107	ZINC000162868180	ref	2.92	-13.65	0	313.419	2.071	1	4	5	COc1cccc(CS(=O)(=O)NC2C[C@@H](C)O[C@H](C)C2)c1
342598363	ZINC000616989409	ref	5.58	-40.37	1	297.443	1.384	3	2	5	CC(=O)N[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
342598364	ZINC000616989409	mid	5.49	-39.89	1	297.443	1.384	3	2	5	CC(=O)N[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
349535809	ZINC000594970160	mid	6.43	-12.26	0	283.379	2.503	1	5	5	CCn1nnc(C)c1CNC(C)(C)c1cccc(C#N)c1
290623048	ZINC000492525687	ref	7.96	-40.06	1	264.394	2.171	1	2	4	C[NH+](C)C[C@H]1CCN(C(=O)/C=C\c2ccsc2)C1
342082782	ZINC000625334241	mid	4.35	-36.1	1	254.403	1.844	1	4	6	CCN(Cc1csnn1)C[C@H]1CCC[N@H+]1CC
342082783	ZINC000625334241	high	3.73	-6.07	0	254.403	1.844	0	5	6	CCN(Cc1csnn1)C[C@H]1CCCN1CC
342082784	ZINC000625335518	ref	7.93	-33.94	1	283.395	1.554	1	4	8	CCN(Cc1ncnn1CCF)C[C@H]1CCC[N@@H+]1CC
342082785	ZINC000625335518	mid	7.35	-41.37	1	283.395	1.554	1	4	8	CCN(Cc1ncnn1CCF)C[C@H]1CCC[N@H+]1CC
342082786	ZINC000625334197	ref	4.61	-33.4	1	253.39	1.071	2	2	6	CCN(C[C@@H]1CCC(=O)N1)C[C@H]1CCC[N@@H+]1CC
342082787	ZINC000625334197	mid	3.51	-37.32	1	253.39	1.071	2	2	6	CCN(C[C@@H]1CCC(=O)N1)C[C@H]1CCC[N@H+]1CC
365622790	ZINC000336543206	mid	5.16	-9.55	0	297.355	2.46	1	4	4	CCn1nccc1NS(=O)(=O)c1c(C)cc(F)cc1C
342082788	ZINC000625334197	mid	3.89	-44.99	1	253.39	1.071	2	2	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H]1CCC(=O)N1
365622798	ZINC000336543079	ref	7.09	-31.18	1	296.455	2.403	2	2	3	C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@](C)(O)CC1
168365225	ZINC000310027685	low	7.78	-101.07	2	221.348	2.224	1	1	5	CCC(CC)C[NH2+][C@H]1CCn2cc[nH+]c2C1
342082789	ZINC000625334197	mid	4.19	-47.26	1	253.39	1.071	2	2	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H]1CCC(=O)N1
342082790	ZINC000625334432	ref	3.11	-9.03	0	275.414	1.31	0	4	5	CCO[C@@H](CN1CCS(=O)(=O)CC1(C)C)C1CC1
342082791	ZINC000625334173	ref	6.86	-27.81	1	250.39	1.726	1	3	6	CCN(Cc1ccn(C)n1)C[C@H]1CCC[N@@H+]1CC
185090133	ZINC000096076156	ref	9.33	-13.79	0	294.358	1.972	0	4	2	O=C(c1ccccc1)N1CC[C@@]2(CCN2c2ncccn2)C1
214190147	ZINC000293648510	ref	1.59	-14.15	0	355.778	0.633	2	5	5	COC[C@H]1CCN1C(=O)C(=O)Nc1cc(Cl)cc(C(N)=O)c1OC
136228561	ZINC000191588374	ref	4.9	-50.29	-1	247.25	1.376	1	4	3	O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)COC2
365622805	ZINC000336543079	mid	7.06	-31.16	1	296.455	2.403	2	2	3	C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@](C)(O)CC1
342082792	ZINC000625334173	mid	5.68	-34.22	1	250.39	1.726	1	3	6	CCN(Cc1ccn(C)n1)C[C@H]1CCC[N@H+]1CC
342082793	ZINC000618607644	ref	5.18	-17.56	0	256.252	1.16	1	3	3	Cn1cccc(C(=O)NC[C@]2(C)CC2(F)F)c1=O
342082794	ZINC000625334192	ref	4.64	-45.59	1	251.378	1.121	1	4	6	CCN(Cc1cnnn1C)C[C@@H]1CCC[N@@H+]1CC
342082795	ZINC000625334192	mid	4.57	-41.26	1	251.378	1.121	1	4	6	CCN(Cc1cnnn1C)C[C@@H]1CCC[N@H+]1CC
342082796	ZINC000608885706	ref	6.45	-10.87	0	286.339	1.355	0	7	5	CN(C[C@@H]1CCCO1)c1ncnc2c1cnn2CCC#N
168365227	ZINC000071105878	ref	6.75	-2.94	0	241.762	4.197	1	2	6	CCC(CC)CNc1cc(OC)ccc1Cl
365622797	ZINC000617381776	ref	3.72	-20.07	0	291.307	0.537	1	4	3	O=C1CN(CC(=O)N2CCC(c3ccco3)CC2)C(=O)N1
365622812	ZINC000617381776	high	1.88	-54.58	-1	291.307	0.537	0	4	3	O=C1CN(CC(=O)N2CCC(c3ccco3)CC2)C(=O)[N-]1
290623047	ZINC000356751236	ref	4.08	-8.29	0	259.231	2.024	1	3	2	C[C@H]1CC[C@@H]1NC(=O)c1cnc(C(F)(F)F)nc1
168365230	ZINC000037768997	ref	9.25	-7.89	0	244.342	3.115	1	4	6	CCC(CC)CNc1ccc(-n2cncn2)cc1
168365232	ZINC000037768997	low	9.91	-47.62	1	244.342	3.115	1	3	6	CCC(CC)C[NH2+]c1ccc(-n2cncn2)cc1
168365235	ZINC000152878275	ref	2.95	-7.8	0	249.358	2.703	3	2	7	CCC(CC)CNc1ccc(CNC(N)=O)cc1
168365239	ZINC000336743731	ref	4.96	-49.41	1	226.364	2.069	2	1	5	CCC(CC)C[NH2+][C@H]1CCC(=O)NC1(C)C
168365242	ZINC000124806647	ref	6.03	-114.3	2	232.371	3.157	2	0	5	CCC(CC)C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21
168365243	ZINC000124806647	mid	5.72	-37.82	1	232.371	3.157	2	1	5	CCC(CC)C[NH2+][C@H]1C[C@H](N)c2ccccc21
168365245	ZINC000124806647	high	4.87	-45.19	1	232.371	3.157	2	1	5	CCC(CC)CN[C@H]1C[C@H]([NH3+])c2ccccc21
168365248	ZINC000035016116	ref	9.84	-35.57	1	233.399	4.41	1	0	7	CCC(CC)C[NH2+][C@H](c1ccccc1)C(C)C
342082797	ZINC000608885706	low	6.33	-40.22	1	286.339	1.355	0	6	5	CN(C[C@@H]1CCCO1)c1[nH+]cnc2c1cnn2CCC#N
168365253	ZINC000106868352	ref	7.71	-101.02	2	224.392	2.639	2	0	5	CCC(CC)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1
168365255	ZINC000106868352	mid	8.45	-104.64	2	224.392	2.639	2	0	5	CCC(CC)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1
342082798	ZINC000625334460	ref	0.32	-11.85	0	299.396	1.346	0	6	3	CC1(C)CS(=O)(=O)CCN1Cc1noc(C2CCC2)n1
168365256	ZINC000106868352	high	6.32	-36.79	1	224.392	2.639	1	1	5	CCC(CC)C[NH2+][C@H]1CCN2CCC[C@@H]2C1
168365258	ZINC000036980415	ref	7.8	-3.01	0	229.364	2.6	1	3	8	CCC(CC)CN[C@H](CC(C)C)C(=O)OC
168365260	ZINC000036980415	mid	7.7	-37.24	1	229.364	2.6	1	2	8	CCC(CC)C[NH2+][C@H](CC(C)C)C(=O)OC
197597110	ZINC000290107123	ref	6.43	-44.02	1	293.411	1.973	2	3	5	Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@H]1C(C)C
342082799	ZINC000625334189	ref	4.56	-43.28	1	251.378	1.121	1	4	6	CCN(Cc1cnnn1C)C[C@H]1CCC[N@@H+]1CC
342082800	ZINC000625334189	mid	4.25	-44.95	1	251.378	1.121	1	4	6	CCN(Cc1cnnn1C)C[C@H]1CCC[N@H+]1CC
342082801	ZINC000608885049	ref	4.89	-13.72	0	296.338	1.034	3	6	5	CN(CCCc1[nH]nc(N)c1C#N)c1ncnc2[nH]ccc12
342082802	ZINC000608885049	mid	5.13	-37.48	1	296.338	1.034	3	5	5	CN(CCCc1[nH]nc(N)c1C#N)c1[nH+]cnc2[nH]ccc12
168365238	ZINC000368504546	low	6.46	-45.24	1	340.807	3.225	2	2	3	C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)c2C1
168365240	ZINC000368504546	low	6.47	-45.28	1	340.807	3.225	2	2	3	C[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(Cl)c3)c2C1
168365241	ZINC000368506634	ref	7.42	-6.98	0	340.652	3.357	0	3	3	Clc1ccccc1CCN1CCn2c(Br)cnc2C1
342598365	ZINC000590813706	ref	4.42	-42.36	1	250.346	1.023	1	3	3	CC(C)[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)c2)C1
342598366	ZINC000616989406	ref	5.09	-39.37	1	297.443	1.384	3	2	5	CC(=O)N[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
342598367	ZINC000616989406	mid	5.08	-39.9	1	297.443	1.384	3	2	5	CC(=O)N[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
197597117	ZINC000290104270	ref	12.15	-13.67	0	283.379	2.834	0	5	4	CC(C)[C@@H](C)N(C)c1nnc(-c2ccc(C#N)cc2)n1C
342598368	ZINC000590814518	ref	8.07	-14.53	0	285.347	1.908	0	4	5	CCc1cccc(OCC(=O)N2CC(n3cccn3)C2)c1
342598369	ZINC000590814161	ref	5.71	-14.11	0	274.324	1.675	0	5	3	Cc1noc(C)c1[C@H](C)C(=O)N1CC(n2cccn2)C1
342598370	ZINC000616989827	ref	5.77	-36.45	1	261.369	1.932	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccccn2)C1
342598371	ZINC000616989827	mid	5.74	-36.01	1	261.369	1.932	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccccn2)C1
168365244	ZINC000368506634	mid	9.91	-45.67	1	340.652	3.357	1	2	3	Clc1ccccc1CC[N@@H+]1CCn2c(Br)cnc2C1
168365246	ZINC000368506634	mid	9.92	-45.73	1	340.652	3.357	1	2	3	Clc1ccccc1CC[N@H+]1CCn2c(Br)cnc2C1
282120284	ZINC000151572040	ref	6.94	-11.77	0	305.422	2.462	1	3	5	CO[C@@H]1CCC[C@H]1NC(=O)N(C)Cc1cccc(N(C)C)c1
398246564	ZINC000650863518	mid	5.37	-35.93	1	295.427	1.729	3	2	7	COCC[N@H+]1CCC[C@H]1CNC(=O)NC1(C2CCC2)CC1
398246569	ZINC000650863518	high	3.6	-7.76	0	295.427	1.729	2	3	7	COCCN1CCC[C@H]1CNC(=O)NC1(C2CCC2)CC1
282120294	ZINC000151579111	ref	5.72	-10.79	0	306.353	2.403	1	3	4	CN(CC(F)F)C(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C
365622803	ZINC000641587162	ref	5.05	-15.9	0	289.379	1.046	1	4	4	Cc1nn(CC2CC2)c(C)c1CC(=O)N1C[C@@H]2C[C@]2(O)C1
342598372	ZINC000616989500	ref	5.53	-36.58	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)no1
342598373	ZINC000616989500	mid	5.46	-36.44	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)no1
168365583	ZINC000082877841	high	-1.17	-76.19	0	185.198	0.912	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1ccc([O-])c(F)c1
349535811	ZINC000093300305	ref	2.09	-6.07	0	262.309	0.854	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2)C[C@H]1O
365622810	ZINC000336543079	high	6.76	-6.49	0	296.455	2.403	1	3	3	C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@](C)(O)CC1
342082803	ZINC000238032231	ref	3.52	-51.96	1	286.129	1.24	3	2	4	O=C(C[NH2+]C1CC1)Nc1c[nH]cc(Br)c1=O
342082804	ZINC000238032231	high	2.23	-27.58	0	286.129	1.24	3	3	4	O=C(CNC1CC1)Nc1c[nH]cc(Br)c1=O
290623049	ZINC000492524788	ref	2.31	-13.26	0	284.315	2.125	2	4	5	COc1cncc(/C=C\C(=O)NCc2cccc(O)c2)c1
190492094	ZINC000269409060	ref	-0.77	-13.85	0	297.315	0.363	2	6	3	COC(=O)N1CC(NC(=O)NC(C)(C)c2noc(C)n2)C1
365622817	ZINC000336542998	ref	8.2	-45.92	1	296.773	2.437	1	1	3	CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@]12CC[NH2+]C2
365622826	ZINC000336543472	ref	5.26	-12.95	0	286.356	2.447	1	3	1	Cc1cscc1C(=O)N1CCNC(=O)c2ccccc21
365622837	ZINC000336543221	ref	8.3	-44.77	1	258.365	2.224	1	1	1	Cc1cc(C)cc(C(=O)N2CC[NH+]3CCC2CC3)c1
349535812	ZINC000621244286	ref	9.17	-17.45	0	298.39	2.255	1	3	4	C[C@@H](Cn1ccnc1)NC(=O)N1CC(C)(c2ccccc2)C1
398246567	ZINC000335872757	ref	4.52	-14.51	0	217.272	1.805	2	2	2	C[C@H]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1
168365247	ZINC000368501915	ref	8.04	-43.18	1	336.505	3.254	2	3	5	CCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2c2nccs2)CC1
398246573	ZINC000313441281	ref	7.89	-9.65	0	245.33	1.988	1	5	5	CC(C)c1cc(NCCc2cn(C)cn2)ncn1
398246576	ZINC000313441281	low	8.36	-39.23	1	245.33	1.988	1	4	5	CC(C)c1cc(NCCc2cn(C)c[nH+]2)ncn1
398246579	ZINC000335871010	ref	6.09	-6.5	0	215.3	2.496	0	3	1	Cc1ccc(N2C[C@H](C)C[C@@H]2C)nc1C#N
190492096	ZINC000269412886	ref	-1.54	-17.7	0	285.3	-0.567	3	5	3	CC(C)(C)OC(=O)NCC(=O)N[C@H]1CCC(=O)NC1=O
168365249	ZINC000368504408	ref	9.93	-15.49	0	335.382	3.454	0	3	3	N#Cc1cccc(/C=C/C(=O)N2CCC(F)(c3cccnc3)CC2)c1
398246584	ZINC000076769098	ref	5.69	-36.71	1	239.34	2.256	1	3	5	CSC[C@@H](C)[NH2+]Cc1cccc2c1OCO2
398246589	ZINC000076769098	high	4.62	-7.59	0	239.34	2.256	1	4	5	CSC[C@@H](C)NCc1cccc2c1OCO2
349535817	ZINC000621244286	low	9.69	-43.6	1	298.39	2.255	1	2	4	C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CC(C)(c2ccccc2)C1
349535819	ZINC000621245615	ref	2.38	-14.76	0	296.367	2.05	3	4	7	COc1cc(CCCNC(=O)NC(C)C)cc(OC)c1O
299072383	ZINC000459277486	ref	6.07	-16.96	0	303.322	2.519	2	5	4	Cc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H](C)c1ccn(C)n1
365622845	ZINC000336543221	mid	6.54	-9.01	0	258.365	2.224	0	2	1	Cc1cc(C)cc(C(=O)N2CCN3CCC2CC3)c1
398246571	ZINC000650863411	ref	5.92	-14.59	0	284.425	1.991	1	3	2	C[C@@H](NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12)C(C)(C)C
398246574	ZINC000650865380	ref	2.53	-9.69	0	296.342	1.771	3	3	9	C=CCOc1ccccc1CNC(=O)N[C@@H](CO)CCF
168365251	ZINC000368503024	ref	9.06	-99.24	2	344.421	3.244	3	1	6	C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1
398246577	ZINC000650864848	ref	4.73	-39.92	1	271.405	1.273	3	2	6	CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)CCO
342082805	ZINC000625335312	ref	5.91	-30.25	1	277.416	1.756	2	4	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)c1nccc(N)n1
398246580	ZINC000650864848	mid	3.99	-39.51	1	271.405	1.273	3	2	6	CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)CCO
398246582	ZINC000650864848	high	2.7	-7.3	0	271.405	1.273	2	3	6	CCN1CCCC[C@H]1CNC(=O)N(C)[C@@H](C)CCO
342082806	ZINC000625335312	mid	4.55	-32.56	1	277.416	1.756	2	4	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)c1nccc(N)n1
168365252	ZINC000368503024	mid	7.11	-39.06	1	344.421	3.244	2	2	6	CN(C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1
342082807	ZINC000625334230	ref	5.8	-61.32	1	269.295	1.976	2	2	2	O=c1cc2c(n[nH]1)CC[N@@H+](C[C@@H]1CCC(F)(F)C1)C2
178292364	ZINC000272650346	ref	6.2	-7.4	0	244.294	2.674	1	4	3	Cc1cc2c(cc1NCc1ccn(C)c1)OCO2
398246585	ZINC000650863412	ref	6.83	-15.53	0	284.425	1.991	1	3	2	C[C@@H](NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12)C(C)(C)C
168365254	ZINC000368501548	ref	9.62	-50.66	1	332.423	3.038	1	4	6	COc1ccc(C[C@H](C)C[NH2+][C@H]2CCCn3c(C)nnc32)cc1F
168365257	ZINC000368501548	high	8.27	-17.82	0	332.423	3.038	1	5	6	COc1ccc(C[C@H](C)CN[C@H]2CCCn3c(C)nnc32)cc1F
342082808	ZINC000625334230	mid	5.78	-61.76	1	269.295	1.976	2	2	2	O=c1cc2c(n[nH]1)CC[N@H+](C[C@@H]1CCC(F)(F)C1)C2
343995018	ZINC000625564186	ref	-0.69	-7.24	0	223.276	0.974	2	5	6	C=C[C@H](CO)NCc1noc(C2CCC2)n1
178292374	ZINC000001758680	ref	6.56	-3.34	0	218.34	4.05	1	1	0	Cc1cc2c(cc1O)C(C)(C)CCC2(C)C
214190519	ZINC000278495578	ref	9.63	-38.25	1	320.502	3.461	2	3	5	C[C@@H]1C[NH+](Cc2ccccc2NC[C@H]2CCSC2)C[C@@H](C)O1
178305158	ZINC000237276979	ref	3.79	-42.83	1	362.455	1.687	2	6	6	COc1ccccc1[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1noc(C)n1
178305161	ZINC000237276979	high	2.55	-14.97	0	362.455	1.687	2	7	6	COc1ccccc1[C@H](NC(=O)C[C@@H]1CSCCN1)c1noc(C)n1
178305165	ZINC000237273063	ref	3.05	-57.51	1	370.453	1.479	2	4	5	COc1ccc2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)c(C)nc2c1
214190151	ZINC000293637447	ref	5.78	-15.79	0	368.384	0.822	0	5	2	CN1C(=O)CO[C@@H](C(=O)N2CC[C@]3(C)[C@H](C2)C3(F)F)[C@@H]1c1cnn(C)c1
197597116	ZINC000162864783	ref	6.86	-13.78	0	324.471	2.048	0	5	4	O=C(CSCc1cccnc1)N1CCS[C@H]2COCC[C@H]21
343994410	ZINC000079940340	high	5.36	-8.8	0	289.423	2.401	2	2	6	CC(C)NC(=O)NC[C@H]1CCCN1CCc1ccccc1
343994414	ZINC000079943727	ref	3.05	-43.27	-1	296.286	2.398	1	5	3	Cc1cncc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1
365622811	ZINC000274323368	ref	7.6	-39.04	1	284.4	1.731	2	3	7	CCC[C@@H](NC(=O)/C=C/C[NH+](C)C)C(=O)OC(C)(C)C
168365261	ZINC000368505905	ref	4.6	-11.0	0	334.416	3.021	1	3	4	Cc1ccc(CS(=O)(=O)Nc2cccc3c2CN(C)C3)cc1F
214190157	ZINC000293636974	ref	5.48	-20.04	0	355.416	0.938	0	5	5	Cc1c(CC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-]
290623053	ZINC000492524071	ref	5.2	-13.59	0	271.32	2.09	1	3	5	COc1cncc(/C=C/C(=O)N(C)Cc2ccc[nH]2)c1
342082809	ZINC000625334230	high	2.93	-11.03	0	269.295	1.976	1	3	2	O=c1cc2c(n[nH]1)CCN(C[C@@H]1CCC(F)(F)C1)C2
290623054	ZINC000492525542	ref	7.06	-19.79	0	296.33	2.244	1	5	6	O=C(/C=C\c1cc2ccccc2o1)NCCCn1ccnn1
210256387	ZINC000019525099	low	3.62	-20.64	0	378.458	1.635	2	7	6	CCn1cc(S(=O)(=O)N[C@H](c2cc(=O)n3[nH]c(C)cc3n2)C(C)C)cn1
210256393	ZINC000019522152	ref	8.08	-8.87	0	383.492	2.985	0	5	4	CCc1cc(C(=O)N2Cc3ccc(OC)cc3C[C@@H]2C2CCOCC2)n(C)n1
210256400	ZINC000019525854	ref	10.01	-10.26	0	383.492	4.305	0	5	6	CCCn1ncc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCCC2)c1C
210256406	ZINC000019526957	ref	6.36	-24.82	0	385.468	0.913	0	5	3	CCN1C[C@@H](C(=O)N2CCc3nc([C@@H]4CCCN4C(C)=O)ncc3C2)CC1=O
210256412	ZINC000019523565	ref	8.64	-43.54	1	382.512	2.271	1	5	5	CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1
210256417	ZINC000019523565	low	8.98	-80.12	2	382.512	2.271	1	4	5	CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCC[NH2+]3)ncc2C1
342082810	ZINC000238023698	ref	9.63	-59.44	1	299.378	1.782	2	4	4	[NH3+][C@H]1CCC[C@@H](C(=O)Nc2nncn2Cc2ccccc2)C1
342082811	ZINC000625334112	ref	5.65	-42.02	1	266.389	1.541	1	4	6	CC(C)C[C@H]1OCCC[C@H]1[NH2+]CCc1cn(C)nn1
342082812	ZINC000608885048	ref	5.81	-9.61	0	278.743	1.665	0	4	3	CN(CC(=O)N1CCCC1)c1ncc(C#N)cc1Cl
365622813	ZINC000641590799	ref	3.03	-16.74	0	276.336	1.323	1	4	4	CC(C)COc1ncccc1C(=O)N1C[C@H]2C[C@@]2(O)C1
365622823	ZINC000395385804	ref	3.84	-11.12	0	279.384	1.606	1	4	2	CCc1cc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)n(C)n1
365622836	ZINC000641587077	ref	3.09	-14.77	0	289.303	1.865	1	4	3	Cc1cc(OC(F)F)c(C(=O)N2C[C@@H]3C[C@]3(O)C2)s1
365622848	ZINC000641587118	ref	2.61	-10.41	0	267.712	1.555	1	3	2	COc1cc(Cl)cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365622859	ZINC000641587142	ref	3.92	-17.01	0	286.306	1.889	1	3	1	Cc1nc2c(F)cccc2cc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365622866	ZINC000641590847	ref	2.5	-11.03	0	276.317	1.61	1	5	2	O=C(c1csc(-c2ccoc2)n1)N1C[C@@H]2C[C@]2(O)C1
365622876	ZINC000479719559	ref	2.02	-7.54	0	286.416	1.896	3	3	5	CC(C)[C@H](NC(=O)NC[C@@H]1CCO[C@@H](C)C1)C(C)(C)O
365622884	ZINC000641590479	ref	3.42	-10.35	0	259.296	1.795	1	2	1	CC1(C(=O)N2C[C@@H]3C[C@]3(O)C2)CCC(F)(F)CC1
365622892	ZINC000479714372	ref	3.66	-11.93	0	291.395	1.975	2	3	4	CCc1cnccc1[C@@H](C)NC(=O)N1C[C@@H](C)[C@H](CO)C1
365622905	ZINC000641590327	ref	5.26	-11.71	0	279.286	1.661	1	2	2	O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@@H]2C[C@]2(O)C1
365622916	ZINC000641587532	ref	2.77	-13.3	0	255.364	1.677	1	4	2	CSc1ccsc1C(=O)N1C[C@H]2C[C@@]2(O)C1
282120286	ZINC000248949729	mid	2.39	-37.2	1	315.439	1.016	4	5	8	CCc1nc(NC(=O)C[N@H+](C[C@H](C)O)[C@H](C)CO)sc1C
282120289	ZINC000248949729	mid	1.26	-39.9	1	315.439	1.016	4	5	8	CCc1nc(NC(=O)C[N@@H+](C[C@H](C)O)[C@H](C)CO)sc1C
365622925	ZINC000641587095	ref	3.54	-15.83	0	290.338	1.245	1	3	2	O=C([C@@H]1CCN(c2ccccc2F)C1)N1C[C@@H]2C[C@]2(O)C1
365622941	ZINC000641590407	ref	4.27	-14.56	0	268.316	1.371	1	3	2	O=C(Cc1cccc2cnccc12)N1C[C@@H]2C[C@]2(O)C1
365622954	ZINC000641587138	ref	4.3	-16.93	0	273.332	1.607	1	3	1	CC1(C)Cc2cccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)c2O1
365622963	ZINC000641590679	ref	3.51	-14.65	0	272.279	1.581	1	3	1	O=C(c1c(F)ccc2ccncc12)N1C[C@@H]2C[C@]2(O)C1
365622971	ZINC000641590800	ref	2.91	-16.4	0	276.336	1.323	1	4	4	CC(C)COc1ncccc1C(=O)N1C[C@@H]2C[C@]2(O)C1
365622982	ZINC000641590871	ref	4.03	-15.69	0	274.295	1.443	2	2	2	O=C(Cc1c[nH]c2ccc(F)cc12)N1C[C@@H]2C[C@]2(O)C1
230744977	ZINC000414376132	ref	6.55	-11.64	0	316.405	3.408	0	5	5	Cc1nn(-c2cccc(F)c2)cc1CN(C)Cc1cscn1
214190152	ZINC000278495723	mid	6.43	-38.59	1	318.417	1.989	2	3	7	COc1ccc(OC)c(CCNC(=O)[C@H]2CCC[N@H+]2C2CC2)c1
365622991	ZINC000641587139	ref	3.96	-14.22	0	286.306	1.889	1	3	1	Cc1nc2c(F)cccc2cc1C(=O)N1C[C@H]2C[C@@]2(O)C1
299072385	ZINC000358088289	ref	5.11	-8.23	0	323.462	1.977	2	4	7	CCc1nc(CCNC(=O)C(=O)N[C@H](C)CC2CC2)sc1C
365622819	ZINC000274323368	high	5.11	-6.01	0	284.4	1.731	1	4	7	CCC[C@@H](NC(=O)/C=C/CN(C)C)C(=O)OC(C)(C)C
365622828	ZINC000274320885	ref	5.33	-18.03	0	294.38	1.363	1	5	2	CC(C)(C)C(=O)N1CSC[C@H]1C(=O)Nc1cncnc1
365622834	ZINC000274323539	ref	6.34	-9.05	0	262.353	1.78	1	3	7	CCC(=O)CNC(=O)CCc1ccc(N(C)C)cc1
365622844	ZINC000274321282	ref	6.05	-15.24	0	292.726	1.672	1	4	2	O=C(c1nc[nH]n1)N1CCO[C@H](c2cccc(Cl)c2)C1
342598374	ZINC000590813918	ref	3.45	-49.19	1	277.368	1.693	1	3	4	COc1ccc(C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cn1
342598375	ZINC000590814292	ref	5.93	-12.24	0	287.367	1.611	0	5	2	Cn1nc(C(C)(C)C)cc1C(=O)N1CC(n2cccn2)C1
342598376	ZINC000616989828	ref	5.72	-36.43	1	261.369	1.932	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccccn2)C1
365622854	ZINC000274321797	ref	7.32	-24.27	0	290.298	1.129	1	4	2	CN1C[C@@H](C(=O)Nc2nc3ccc(F)cc3n2C)CC1=O
342598377	ZINC000616989828	mid	5.77	-36.69	1	261.369	1.932	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccccn2)C1
365622865	ZINC000274322668	ref	5.69	-14.56	0	297.314	1.99	1	5	3	O=C(Nc1cncnc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2
342598378	ZINC000616989451	ref	5.83	-38.25	1	254.374	1.592	2	2	5	CC(=O)CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365622873	ZINC000274320604	ref	3.23	-3.81	0	256.737	1.787	1	5	3	CNc1c(Cl)ncnc1N1CCC(OC)CC1
365622888	ZINC000274321384	ref	7.32	-8.72	0	277.295	1.882	1	3	3	COC(=O)C1(C(=O)N[C@@H]2CCc3c(F)cccc32)CC1
197597138	ZINC000162863432	ref	1.81	-6.29	0	319.188	2.127	3	3	4	CC[C@H](CO)NC(=O)C(=O)Nc1cc(Cl)c(C)cc1Cl
342598379	ZINC000616989451	mid	5.77	-37.98	1	254.374	1.592	2	2	5	CC(=O)CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
178305159	ZINC000073198506	mid	2.69	-13.02	0	229.287	1.05	1	5	2	Cc1cc2nn(CC3=NCCN3)nc2cc1C
342598380	ZINC000616989363	ref	5.73	-41.45	1	254.374	1.402	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO2)C1
342598381	ZINC000616989363	mid	5.78	-42.0	1	254.374	1.402	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO2)C1
342598382	ZINC000590813887	ref	4.44	-42.24	1	283.416	1.138	2	2	4	CC(C)[NH2+][C@H]1CCCN(C(=O)CNC(=O)C(C)(C)C)C1
365622899	ZINC000274322010	ref	5.5	-35.0	1	261.329	1.035	2	3	1	C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3cncnc3)[C@H]2C1
342598383	ZINC000590814084	ref	6.94	-12.38	0	270.336	1.403	0	4	4	CN(CC(=O)N1CC(n2cccn2)C1)c1ccccc1
210256422	ZINC000019523565	high	7.34	-12.85	0	382.512	2.271	1	6	5	CCc1nccn1C[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCCCN3)ncc2C1
210256428	ZINC000019522535	ref	7.64	-22.7	0	387.436	2.092	1	6	7	CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)COc2c(OC)cccc2OC)n1
210256434	ZINC000019522535	high	6.25	-68.79	-1	387.436	2.092	0	6	7	CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)COc2c(OC)cccc2OC)n1
342082813	ZINC000625335311	ref	4.33	-35.43	1	277.416	1.756	2	4	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)c1nccc(N)n1
398246575	ZINC000649444170	ref	6.23	-10.16	0	242.278	2.361	0	4	1	Cc1c(-c2cccc3c2OCCC3=O)cnn1C
365622821	ZINC000617375373	ref	3.21	-8.98	0	281.356	0.831	1	5	7	COC[C@@H](NC(=O)CCn1cccn1)C1CCOCC1
398246578	ZINC000649444191	ref	2.37	-6.59	0	234.206	2.255	1	4	1	Cc1nnc(-c2cc(C(F)(F)F)[nH]n2)s1
282120288	ZINC000115516793	ref	7.46	-12.59	0	288.311	1.625	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1nccc(C)c1[N+](=O)[O-])CC2
365622832	ZINC000617381153	ref	6.98	-44.02	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2C)n1
342082814	ZINC000625335311	mid	4.54	-31.37	1	277.416	1.756	2	4	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)c1nccc(N)n1
342082815	ZINC000625334299	ref	2.06	-8.13	0	290.36	1.704	1	4	8	CCC[C@@H](CNS(=O)(=O)c1cncc(F)c1)OCC
136228562	ZINC000191588349	ref	4.83	-60.75	-1	247.25	1.376	1	4	3	O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)COC2
178292356	ZINC000082784244	ref	2.54	-13.34	0	275.301	1.428	1	4	4	CC[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1F
178292357	ZINC000082784236	ref	3.04	-11.17	0	271.338	1.598	1	4	4	CC[C@@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1C
342082816	ZINC000625334299	high	2.09	-37.34	-1	290.36	1.704	0	4	8	CCC[C@@H](C[N-]S(=O)(=O)c1cncc(F)c1)OCC
342082817	ZINC000625334239	ref	5.31	-30.34	1	286.46	1.969	2	3	8	CCN(C[C@@H](O)COC(C)(C)C)C[C@H]1CCC[N@@H+]1CC
342082818	ZINC000625334239	mid	4.38	-33.56	1	286.46	1.969	2	3	8	CCN(C[C@@H](O)COC(C)(C)C)C[C@H]1CCC[N@H+]1CC
342082819	ZINC000625334239	mid	3.93	-36.35	1	286.46	1.969	2	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H](O)COC(C)(C)C
349535814	ZINC000594971103	ref	9.5	-39.84	1	273.376	2.502	1	2	4	COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C
342082820	ZINC000625334239	mid	4.16	-36.17	1	286.46	1.969	2	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H](O)COC(C)(C)C
342082821	ZINC000625334284	ref	2.64	-10.04	0	278.418	1.368	1	3	8	CCC[C@H](CNS(=O)(=O)N1CC[C@H](C)C1)OCC
398246581	ZINC000649444191	mid	2.35	-7.55	0	234.206	2.255	1	4	1	Cc1nnc(-c2cc(C(F)(F)F)n[nH]2)s1
365622838	ZINC000617381153	mid	7.02	-44.72	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2C)n1
365622843	ZINC000617381153	high	4.53	-15.08	0	295.343	0.881	1	6	5	CCN1C[C@@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])[C@H](C)C1
365622849	ZINC000617373677	ref	2.97	-10.03	0	259.346	0.969	1	4	7	CC[C@@H](OC)C(=O)N[C@@H](COC)C1CCOCC1
342082822	ZINC000608885630	ref	8.61	-20.59	0	276.3	1.473	1	7	4	Cn1cnc([N+](=O)[O-])c1NCc1cn2c(n1)CCCC2
365622855	ZINC000617373917	ref	4.27	-10.32	0	271.357	0.969	1	4	7	CCO[C@@H]1C[C@@H]1C(=O)N[C@H](COC)C1CCOCC1
398246583	ZINC000649444146	ref	5.88	-5.51	0	201.269	2.949	1	1	1	C=C(C)c1ccc2c(c1)C(C)(C)C(=O)N2
343995022	ZINC000625564158	ref	8.01	-28.06	1	209.333	2.286	1	1	5	CCO[C@H](C[N@@H+]1CC2CC1(C)C2)C1CC1
342082823	ZINC000608885630	low	9.03	-48.46	1	276.3	1.473	1	6	4	Cn1cnc([N+](=O)[O-])c1NCc1cn2c([nH+]1)CCCC2
282120291	ZINC000533443667	ref	4.12	-9.65	0	255.358	1.733	1	3	6	COCCC1(C(=O)N[C@@H]2C[C@@H](OC)C2(C)C)CC1
197597135	ZINC000290105691	ref	5.43	-10.25	0	261.325	1.119	0	3	2	CC(C)c1ccc(C(=O)N2CCN(C)C(=O)C2)nc1
398246586	ZINC000649444168	ref	5.12	-9.08	0	216.24	2.124	0	4	1	Cc1c(-c2cccc3c2OCO3)cnn1C
342082824	ZINC000238019981	ref	5.57	-52.89	-1	277.324	1.272	2	4	3	O=C(NC1CCC(C(=O)[O-])CC1)c1n[nH]c2c1CCC2
282120297	ZINC000533442269	ref	6.26	-50.67	1	295.427	1.091	2	2	5	CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)C1
282120301	ZINC000533442269	mid	6.21	-51.65	1	295.427	1.091	2	2	5	CCC(=O)N1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C1
342082825	ZINC000238019981	mid	5.6	-49.07	-1	277.324	1.272	2	4	3	O=C(NC1CCC(C(=O)[O-])CC1)c1[nH]nc2c1CCC2
282120306	ZINC000533443284	ref	6.05	-16.12	0	266.385	1.94	1	2	4	CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@H]2CC)C1
342082826	ZINC000238003937	ref	5.38	-115.74	2	295.386	1.69	3	1	4	[NH3+][C@@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1ccccc1
342082827	ZINC000238003937	mid	4.22	-57.71	1	295.386	1.69	3	2	4	[NH3+][C@@H](CNC(=O)[C@@H]1NCCc2ccccc21)c1ccccc1
342082828	ZINC000238003937	high	3.76	-7.73	0	295.386	1.69	3	3	4	N[C@@H](CNC(=O)[C@@H]1NCCc2ccccc21)c1ccccc1
178292380	ZINC000082784248	ref	1.52	-12.37	0	263.34	1.351	1	5	4	CC[C@@H](C)OC(=O)c1csc(S(N)(=O)=O)c1
342082829	ZINC000625334111	ref	5.44	-47.17	1	266.389	1.541	1	4	6	CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CCc1cn(C)nn1
282120310	ZINC000533443283	ref	6.1	-16.02	0	266.385	1.94	1	2	4	CCC(=O)N1CC[C@H](C(=O)N[C@H]2CCC[C@@H]2CC)C1
398249539	ZINC000100413415	mid	7.57	-30.04	1	226.408	3.031	2	1	8	CCCCCCCCC[N@H+]1CCNC[C@H]1C
282120293	ZINC000329332593	ref	7.65	-16.13	0	311.389	2.392	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1Cc3ccccc3[C@@H]1C)CC2
282120308	ZINC000330014763	ref	9.27	-17.9	0	337.427	2.757	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC3(CCC3)c3ccccc31)CC2
365622840	ZINC000623050980	ref	5.79	-35.4	1	316.449	1.821	3	4	5	O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cnc(C3CC3)nc2)CC1
365622851	ZINC000623050980	low	6.98	-113.27	2	316.449	1.821	3	3	5	O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1
365622860	ZINC000623053502	ref	7.82	-40.76	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1
365622872	ZINC000623051895	ref	2.64	-41.58	-1	303.366	1.102	2	3	2	CNC(=O)c1ccc(=NC(=O)N[C@@H]2CC23CCCCC3)[n-]n1
282120317	ZINC000276688472	ref	8.9	-12.56	0	324.344	2.47	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1nc3ccccc3cc1[N+](=O)[O-])CC2
282120336	ZINC000122789886	ref	7.06	-12.08	0	308.729	1.97	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1ncc([N+](=O)[O-])cc1Cl)CC2
282120341	ZINC000263859604	ref	6.71	-15.36	0	269.312	1.285	2	6	2	Cc1nc2n(n1)C[C@@H](Nc1ncnc3[nH]ccc13)CC2
342082830	ZINC000625334110	ref	5.43	-47.59	1	266.389	1.541	1	4	6	CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CCc1cn(C)nn1
185090140	ZINC000096075958	ref	7.41	-41.5	1	288.391	1.552	1	2	5	COCC[N@@H+]1CC[C@]12CCN(C(=O)Cc1ccccc1)C2
185090141	ZINC000096075958	mid	7.51	-39.77	1	288.391	1.552	1	2	5	COCC[N@H+]1CC[C@]12CCN(C(=O)Cc1ccccc1)C2
282120346	ZINC000263859604	mid	7.07	-40.36	1	269.312	1.285	2	5	2	Cc1nc2n(n1)C[C@@H](Nc1[nH+]cnc3[nH]ccc13)CC2
282120350	ZINC000071794517	ref	7.9	-18.65	0	342.407	1.201	2	8	2	Cc1nc2n(n1)C[C@@H](Nc1nc3c(cnn3C(C)(C)C)c(=O)[nH]1)CC2
365622879	ZINC000623051895	low	2.11	-12.44	0	303.366	1.102	3	3	2	CNC(=O)c1ccc(=NC(=O)N[C@@H]2CC23CCCCC3)[nH]n1
365622887	ZINC000623053516	ref	4.77	-42.55	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1
365622896	ZINC000623051744	ref	1.63	-15.03	0	300.38	1.795	2	4	4	CO[C@H]1CCCC[C@H]1S(=O)(=O)Nc1c[nH]c(=O)c(C)c1
365622903	ZINC000623051744	high	2.11	-41.6	-1	300.38	1.795	1	4	4	CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1c[nH]c(=O)c(C)c1
365622914	ZINC000623052691	ref	4.9	-17.99	0	321.396	1.385	1	3	6	C[C@@H](C(=O)NCc1ccccc1F)N(C)CC(=O)N1CCCC1
282120353	ZINC000268497152	ref	7.13	-16.34	0	299.294	1.188	1	8	3	Cc1nc2n(n1)C[C@@H](Nc1nccc(C#N)c1[N+](=O)[O-])CC2
398246587	ZINC000649444178	ref	8.26	-10.11	0	240.306	2.988	0	3	3	Cc1c(-c2ccc(C(=O)C3CC3)cc2)cnn1C
342082831	ZINC000127070482	ref	4.99	-14.04	0	262.762	1.603	0	3	4	CN(Cc1cc(Cl)cn1C)S(=O)(=O)C1CC1
342082832	ZINC000625334069	ref	7.77	-31.98	1	264.417	1.769	1	3	7	CCN(CCc1cnn(C)c1)C[C@H]1CCC[N@@H+]1CC
185090143	ZINC000096075958	mid	4.53	-10.75	0	288.391	1.552	0	3	5	COCCN1CC[C@]12CCN(C(=O)Cc1ccccc1)C2
398246591	ZINC000649444285	ref	4.98	-8.84	0	232.283	2.413	0	4	3	COc1cc(OC)cc(-c2cnn(C)c2C)c1
210256457	ZINC000019524602	ref	6.57	-13.78	0	397.479	1.997	0	8	5	CCn1cc(CN2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c(C)n1
210256462	ZINC000019524602	low	8.8	-57.28	1	397.479	1.997	1	7	5	CCn1cc(C[N@H+]2CCc3nc4cc(OC)c(OC)cc4c(=O)n3CC2)c(C)n1
342082833	ZINC000625334069	mid	6.57	-34.66	1	264.417	1.769	1	3	7	CCN(CCc1cnn(C)c1)C[C@H]1CCC[N@H+]1CC
342082834	ZINC000625334069	mid	6.58	-40.46	1	264.417	1.769	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)CCc1cnn(C)c1
210256409	ZINC000004710531	ref	10.35	-14.93	0	346.455	5.169	1	4	1	Cc1ccsc1[C@@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21
214190154	ZINC000278495723	high	4.77	-12.11	0	318.417	1.989	1	4	7	COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN2C2CC2)c1
210256413	ZINC000004714251	ref	11.19	-65.94	-1	340.291	2.407	0	6	5	O=C([O-])C[C@H](c1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O
398246594	ZINC000649444159	ref	3.35	-7.69	0	217.272	2.108	0	4	2	COc1ccc(-c2cnn(C)c2C)c(C)n1
210256425	ZINC000004713263	ref	3.12	-13.45	0	343.383	1.074	2	5	7	COc1ccc(CCNC(=O)C(=O)NCc2ccccn2)cc1OC
342082835	ZINC000625334069	mid	6.29	-40.59	1	264.417	1.769	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCc1cnn(C)c1
342082836	ZINC000048305709	ref	7.46	-14.16	0	289.335	1.899	0	4	3	C[C@@H]1C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
178292389	ZINC000082786005	ref	3.6	-9.04	0	268.748	2.083	3	4	3	CC1(NC(=O)c2nc(NN)ccc2Cl)CCCC1
342082837	ZINC000402863648	ref	5.05	-8.96	0	269.41	1.817	2	3	5	CS[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
282120295	ZINC000248953360	ref	1.83	-11.56	0	312.797	1.75	2	4	5	C[C@@H]1CN(CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](CO)O1
365622842	ZINC000121844852	high	5.2	-50.28	-1	269.272	2.059	1	4	4	CCOC(=O)C(C)(C)C(=O)Nc1ccc([O-])cc1F
398246597	ZINC000649444287	ref	7.94	-6.46	0	214.312	3.321	0	2	1	Cc1cc(C)c(-c2cnn(C)c2C)cc1C
197597139	ZINC000290107339	ref	3.95	-50.51	1	299.374	2.977	2	3	4	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C)c(-c2ncco2)c1
214190156	ZINC000337632488	ref	4.89	-22.74	0	299.33	2.376	1	5	5	COc1ccc2occ(C(=O)NCCn3cc(C)cn3)c2c1
214190160	ZINC000337634187	ref	9.2	-6.78	0	282.318	3.275	0	3	2	N#Cc1ccc(N2CCO[C@@H](c3ccccc3)C2)c(F)c1
214190163	ZINC000337633611	ref	7.22	-40.52	1	279.428	2.35	3	1	6	C[NH+](C)C1(CNC(=O)NCC2(C3CC3)CC2)CCCC1
214190168	ZINC000337636901	ref	6.93	-7.64	0	287.407	2.491	2	3	6	C[C@@H]1CCC[C@@H]1CNC(=O)c1ccc(NCC2CC2)nc1
365622850	ZINC000625035465	ref	7.42	-18.89	0	307.438	2.362	1	2	4	CCC[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365622857	ZINC000625034933	ref	6.79	-9.52	0	303.468	2.499	0	3	8	CCO[C@@H](CS(=O)(=O)N1CC[C@H](CC(C)C)C1)C1CC1
365622867	ZINC000625037945	ref	8.08	-19.09	0	315.417	2.29	1	2	4	Cc1cccc(CN(C)C(=O)N[C@H]2CCN(C3CCC3)C2=O)c1
342082838	ZINC000608885909	ref	5.93	-4.33	0	251.29	1.424	1	6	2	CC1(C)CCN(c2ncc([N+](=O)[O-])c(N)n2)CC1
365622874	ZINC000625037245	ref	5.75	-12.16	0	315.373	2.23	1	5	5	COc1cccc2c1OCC[C@@H]2NC(=O)CCn1cc(C)cn1
365622882	ZINC000625035464	ref	7.44	-19.65	0	307.438	2.362	1	2	4	CCC[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365622890	ZINC000625032523	ref	7.48	-18.59	0	315.373	2.312	1	5	6	COc1cccc2c1OCC[C@@H]2NC(=O)CCCn1ccnc1
365622897	ZINC000625032523	low	7.99	-42.58	1	315.373	2.312	1	4	6	COc1cccc2c1OCC[C@@H]2NC(=O)CCCn1cc[nH+]c1
365622902	ZINC000625036950	ref	6.06	-17.34	0	307.438	2.265	2	2	4	C[C@@H]1CCC[C@H](CNC(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365622907	ZINC000625037607	ref	3.05	-11.1	0	307.362	2.223	1	3	6	CO[C@@H](CNS(=O)(=O)c1ccc(C)c(F)c1F)C(C)C
365622915	ZINC000625037607	high	3.32	-46.51	-1	307.362	2.223	0	3	6	CO[C@@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(C)C
365622921	ZINC000625037248	ref	5.77	-11.99	0	315.373	2.23	1	5	5	COc1cccc2c1OCC[C@H]2NC(=O)CCn1cc(C)cn1
365622931	ZINC000625036853	ref	5.68	-18.37	0	307.438	2.265	2	2	4	C[C@@H]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCN(C2CCC2)C1=O
342082839	ZINC000238027436	ref	4.4	-111.21	2	275.396	1.664	2	1	5	[NH3+]CC1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1
178292392	ZINC000082785918	ref	1.79	-8.61	0	269.37	1.583	3	4	4	CC1(NS(=O)(=O)c2ccccc2NN)CCCC1
365622942	ZINC000625034188	ref	6.39	-22.49	0	317.389	2.28	1	3	3	O=C1[C@H](NC(=O)N2CCC[C@@H]2c2ccco2)CCN1C1CCC1
214190158	ZINC000278495587	ref	7.67	-11.05	0	324.388	2.278	2	7	3	Cn1ncc2c(N)nc(N[C@H]3CCO[C@@H](c4ccccc4)C3)nc21
214190161	ZINC000278495587	low	8.03	-37.85	1	324.388	2.278	2	6	3	Cn1ncc2c(N)[nH+]c(N[C@H]3CCO[C@@H](c4ccccc4)C3)nc21
214190164	ZINC000278495857	ref	6.34	-12.65	0	316.409	1.1	1	6	5	Cc1cc(N2CCC[C@@H](NC(=O)CCn3cccn3)C2)n(C)n1
342082840	ZINC000048305710	ref	7.49	-13.32	0	289.335	1.899	0	4	3	C[C@H]1C[C@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
365622852	ZINC000336543067	ref	6.42	-16.47	0	289.339	2.016	1	5	3	C[C@@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ncn(C)n1
210256430	ZINC000004712871	ref	11.81	-7.95	0	348.471	5.503	0	4	5	CCOc1ccc(C2=NN(c3ccccc3)[C@H](c3cccs3)C2)cc1
343994411	ZINC000599271640	ref	6.84	-48.51	1	281.356	1.901	1	5	6	COC(=O)CCCC[N@@H+]1CCC[C@H](c2nc(C)no2)C1
214190169	ZINC000278494368	ref	7.41	-39.03	1	314.414	2.77	2	4	4	O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1CCC[N@@H+]1C1CC1
214190173	ZINC000278494368	mid	6.98	-48.83	1	314.414	2.77	2	4	4	O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1CCC[N@H+]1C1CC1
210256443	ZINC000004711080	ref	9.73	-15.55	0	343.224	4.351	1	2	3	Cc1cc2ccccc2n1CC(=O)Nc1cccc(Br)c1
210256447	ZINC000004712327	ref	8.72	-8.99	0	348.431	4.467	1	6	5	COc1ccc(NN=C(C#N)c2nc(-c3ccc(C)cc3)cs2)cc1
210256452	ZINC000004714038	ref	8.58	-10.26	0	332.153	3.695	0	4	2	Cc1ccccc1C1=N/C(=C\c2ccc(Br)o2)C(=O)O1
210256460	ZINC000004710169	ref	10.68	-10.69	0	348.833	5.466	1	2	4	Cc1ccc(C(=O)Nc2cccc(/C=C/c3ccncc3)c2)cc1Cl
210256464	ZINC000004711375	ref	4.54	-22.71	0	347.44	1.781	1	4	6	Cc1cccc(N(CC(=O)NCc2ccncc2)S(C)(=O)=O)c1C
342082841	ZINC000600312110	ref	4.77	-11.06	0	293.258	1.717	1	6	5	Cc1ncc([N+](=O)[O-])cc1C(=O)Nc1cnn(CCF)c1
214190176	ZINC000278494368	mid	5.28	-12.03	0	314.414	2.77	1	5	4	O=C(Nc1ccc(-c2csnn2)cc1)[C@H]1CCCN1C1CC1
210256471	ZINC000004710873	ref	8.73	-9.82	0	336.476	3.69	1	3	9	CC[C@H](C)NC(=O)CCN(CCC(C)C)C(=O)c1cc(C)oc1C
342082842	ZINC000608884984	ref	4.72	-8.38	0	280.759	1.958	1	4	3	CN(CC(=O)NC(C)(C)C)c1ncc(C#N)cc1Cl
342082843	ZINC000608885799	ref	7.01	-57.66	1	294.355	1.903	2	5	7	COCCC[NH+]1CCC(Nc2cccnc2[N+](=O)[O-])CC1
342082844	ZINC000608885799	high	4.63	-15.13	0	294.355	1.903	1	6	7	COCCCN1CCC(Nc2cccnc2[N+](=O)[O-])CC1
342082845	ZINC000238022379	ref	1.89	-48.94	1	297.355	1.247	2	3	4	N#Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCC2)c(F)c1
214190162	ZINC000293647322	ref	3.69	-21.38	0	361.358	0.109	2	7	5	COC(=O)c1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[nH]1
214190166	ZINC000293647322	high	3.23	-52.81	-1	361.358	0.109	1	7	5	COC(=O)c1ccc(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)[n-]1
168365267	ZINC000083368031	ref	7.63	-5.85	0	240.278	3.582	1	3	6	CCC(CC)CNc1c(F)cccc1[N+](=O)[O-]
349535815	ZINC000093297585	ref	1.79	-19.76	0	263.278	0.913	1	5	2	O=S1(=O)N=C(NCc2ccon2)c2ccccc21
365622853	ZINC000121925536	ref	6.37	-8.71	0	266.385	2.386	1	2	2	CO[C@@H]1CCCC[C@@H]1NC(=O)N1C[C@H]2CCC[C@H]2C1
168365269	ZINC000310005465	ref	5.92	-43.4	1	221.348	2.813	2	1	5	CCC(CC)C[NH2+][C@H]1CCCc2n[nH]cc21
365622862	ZINC000121914598	ref	6.81	-11.4	0	282.384	2.227	0	3	4	CCSCC(=O)N1CCN(c2ccc(F)cc2)CC1
398246588	ZINC000650861751	ref	7.61	-49.73	1	288.391	1.946	2	2	4	C[C@@]1(NC(=O)[C@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1
365622877	ZINC000121986630	ref	5.53	-43.93	-1	250.273	2.153	0	3	4	CCN(C[C@@H](C)C#N)C(=O)c1c([O-])cccc1F
365622885	ZINC000121986630	mid	4.77	-11.32	0	250.273	2.153	1	3	4	CCN(C[C@@H](C)C#N)C(=O)c1c(O)cccc1F
398246590	ZINC000650861751	mid	7.63	-50.05	1	288.391	1.946	2	2	4	C[C@@]1(NC(=O)[C@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1
342082846	ZINC000238022379	high	2.16	-33.37	0	297.355	1.247	1	3	4	N#Cc1ccc(S(=O)(=O)[N-]C2(C[NH3+])CCCC2)c(F)c1
398246593	ZINC000650861751	high	5.09	-11.04	0	288.391	1.946	1	3	4	C[C@@]1(NC(=O)[C@H]2CCCO2)CCN(Cc2ccccc2)C1
398246596	ZINC000650864662	ref	4.25	-12.21	0	284.31	1.605	1	4	5	CC[C@H](NC(=O)[C@@H]1CCCN1c1ncccn1)C(F)F
342082847	ZINC000625334447	ref	2.8	-10.71	0	278.352	1.259	1	4	2	Cc1cocc1C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
342082848	ZINC000625334447	mid	4.76	-40.56	1	278.352	1.259	2	3	2	Cc1cocc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
342082849	ZINC000625334265	ref	7.87	-33.26	1	264.417	1.998	1	3	7	CCN(CCn1cc(C)cn1)C[C@H]1CCC[N@@H+]1CC
342082850	ZINC000625334265	mid	6.66	-34.74	1	264.417	1.998	1	3	7	CCN(CCn1cc(C)cn1)C[C@H]1CCC[N@H+]1CC
342082851	ZINC000625334265	mid	6.67	-39.67	1	264.417	1.998	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)CCn1cc(C)cn1
342082852	ZINC000625334265	mid	6.37	-39.76	1	264.417	1.998	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCn1cc(C)cn1
342082853	ZINC000625334262	ref	7.12	-33.63	1	264.417	1.998	1	3	7	CCN(CCn1cc(C)cn1)C[C@@H]1CCC[N@@H+]1CC
342082854	ZINC000625334262	mid	6.96	-29.41	1	264.417	1.998	1	3	7	CCN(CCn1cc(C)cn1)C[C@@H]1CCC[N@H+]1CC
342082855	ZINC000625334262	mid	7.06	-36.1	1	264.417	1.998	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)CCn1cc(C)cn1
342082856	ZINC000625334262	mid	7.01	-35.85	1	264.417	1.998	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)CCn1cc(C)cn1
282120296	ZINC000248953360	mid	3.78	-50.08	1	312.797	1.75	3	3	5	C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](CO)O1
342082857	ZINC000608886416	ref	6.47	-44.44	1	251.374	1.917	2	2	4	C[N@H+](CC(=O)NC1(C#N)CCCC1)CC(C)(C)C
342082858	ZINC000608886416	mid	6.61	-44.41	1	251.374	1.917	2	2	4	C[N@@H+](CC(=O)NC1(C#N)CCCC1)CC(C)(C)C
214190167	ZINC000293642881	ref	4.71	-9.86	0	357.462	0.942	1	7	6	CCn1nc(C)c(C(=O)N[C@H](C)CN2CCN(c3ccccn3)CC2)n1
342082859	ZINC000608886416	high	4.79	-12.4	0	251.374	1.917	1	3	4	CN(CC(=O)NC1(C#N)CCCC1)CC(C)(C)C
342082860	ZINC000608885367	ref	7.66	-11.81	0	262.704	1.7	1	6	5	N#Cc1cnc(NCCCn2cncn2)c(Cl)c1
342082861	ZINC000625334232	ref	5.76	-61.46	1	269.295	1.976	2	2	2	O=c1cc2c(n[nH]1)CC[N@@H+](C[C@H]1CCC(F)(F)C1)C2
282120298	ZINC000248953360	mid	3.79	-48.99	1	312.797	1.75	3	3	5	C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H](CO)O1
185090150	ZINC000096075169	ref	4.65	-12.0	0	280.397	1.671	1	5	2	CNC(=O)[C@H]1CCC2(CCN(c3nncs3)CC2)C1
342082862	ZINC000625334232	mid	5.79	-61.37	1	269.295	1.976	2	2	2	O=c1cc2c(n[nH]1)CC[N@H+](C[C@H]1CCC(F)(F)C1)C2
214190171	ZINC000293642881	low	7.01	-44.63	1	357.462	0.942	2	6	6	CCn1nc(C)c(C(=O)N[C@H](C)C[NH+]2CCN(c3ccccn3)CC2)n1
342082863	ZINC000625334232	high	3.54	-10.11	0	269.295	1.976	1	3	2	O=c1cc2c(n[nH]1)CCN(C[C@H]1CCC(F)(F)C1)C2
178292405	ZINC000082786002	ref	4.09	-37.52	1	268.748	2.083	3	3	3	CC1(NC(=O)c2c[nH+]c(NN)c(Cl)c2)CCCC1
178292406	ZINC000082786002	mid	3.59	-8.39	0	268.748	2.083	3	4	3	CC1(NC(=O)c2cnc(NN)c(Cl)c2)CCCC1
178292407	ZINC000082786002	high	3.72	-7.4	0	268.748	2.083	3	3	2	CC1(NC(=O)c2c[nH]c(=NN)c(Cl)c2)CCCC1
342082864	ZINC000625334844	ref	2.45	-11.09	0	299.392	1.084	1	4	7	CCOCCS(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
342082865	ZINC000608886291	ref	5.33	-20.93	0	288.351	1.826	3	4	5	CCCNC(=O)NC(=O)CNc1cccc2c1ccn2C
178305163	ZINC000005822718	ref	4.03	-9.87	0	217.272	2.357	0	4	1	Cc1cc2nn([C@@H]3CCCO3)nc2cc1C
136228563	ZINC000191593781	ref	3.82	-43.62	1	219.288	0.923	2	3	6	C=CC[C@@H](CO)[NH2+]Cc1cc(C#N)n(C)c1
342082866	ZINC000625335314	ref	4.66	-37.56	1	255.406	1.319	2	2	8	CCCNC(=O)CN(CC)C[C@H]1CCC[N@@H+]1CC
342598384	ZINC000590814386	ref	5.56	-13.33	0	271.32	1.848	1	4	3	CCc1ccc(O)c(C(=O)N2CC(n3cccn3)C2)c1
342598385	ZINC000590814386	high	6.54	-60.47	-1	271.32	1.848	0	4	3	CCc1ccc([O-])c(C(=O)N2CC(n3cccn3)C2)c1
342598386	ZINC000616989590	ref	4.41	-45.49	1	277.368	1.637	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1
168365264	ZINC000368505905	low	7.35	-51.21	1	334.416	3.021	2	2	4	Cc1ccc(CS(=O)(=O)Nc2cccc3c2C[N@H+](C)C3)cc1F
342598387	ZINC000616989590	mid	4.38	-45.13	1	277.368	1.637	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(=O)[nH]c2)C1
214190172	ZINC000337635024	ref	4.79	-11.16	0	264.316	2.098	1	2	5	COC[C@@H](C)CNC(=O)N1CCCC[C@@H]1C(F)F
342598388	ZINC000364849431	ref	6.84	-12.4	0	296.411	1.684	0	3	4	C=C(C)CN(CC)C(=O)[C@@H]1CN(C(=O)C(C)(C)C)CCO1
342598389	ZINC000590828021	ref	5.22	-14.19	0	283.347	1.84	1	3	4	N#C[C@]1(F)CCN(C(=O)NCCCC2CCOCC2)C1
342598390	ZINC000616989364	ref	5.75	-42.1	1	254.374	1.402	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1
199273179	ZINC000181260257	ref	6.05	-15.96	0	315.377	2.124	2	5	3	CC(C)n1cnnc1-c1ccccc1NC(=O)N1CC[C@@H](O)C1
342598391	ZINC000616989364	mid	5.71	-41.35	1	254.374	1.402	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1
342598392	ZINC000590814081	ref	4.93	-19.02	0	296.334	1.468	1	5	2	Cc1cc(C(=O)N2CC(n3cccn3)C2)c2c(C)[nH]nc2n1
342598393	ZINC000590814202	ref	5.14	-14.32	0	298.346	1.085	1	4	4	C[C@@H](NC(=O)c1ccccc1)C(=O)N1CC(n2cccn2)C1
168365265	ZINC000368505905	low	7.36	-50.78	1	334.416	3.021	2	2	4	Cc1ccc(CS(=O)(=O)Nc2cccc3c2C[N@@H+](C)C3)cc1F
197597179	ZINC000162866085	ref	10.02	-9.8	0	307.415	2.714	0	4	6	CCOC(=O)CN(C(=O)[C@H]1C[C@@H]1c1sccc1C)C1CC1
365622858	ZINC000336543251	ref	5.22	-57.74	1	267.332	2.173	2	2	2	O=C(Nc1ccc2ncccc2c1)[C@H]1C[C@@]12CC[NH2+]C2
342598394	ZINC000590827891	ref	5.14	-12.96	0	293.323	1.553	2	5	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ncccc1OC
168365266	ZINC000368503437	ref	9.04	-12.18	0	329.412	3.209	0	3	7	O=C(CSCCCCF)N1CCO[C@H](c2ccc(F)cc2)C1
282952221	ZINC000345204515	ref	6.06	-13.0	0	309.41	1.771	0	5	7	CC(C)OCCCN(C)C(=O)[C@@H]1CCO[C@H]1c1nccn1C
342598395	ZINC000590814289	ref	5.07	-15.72	0	281.319	1.765	1	4	2	Cc1cc(C(=O)N2CC(n3cccn3)C2)c2[nH]ncc2c1
214190177	ZINC000337635340	ref	7.38	-10.33	0	273.38	2.196	1	3	5	CN(C(=O)c1ccc(NCC2CC2)nc1)[C@@H]1CC1(C)C
342082867	ZINC000625335314	mid	4.85	-39.83	1	255.406	1.319	2	2	8	CCCNC(=O)CN(CC)C[C@H]1CCC[N@H+]1CC
168365268	ZINC000368504863	ref	7.41	-8.35	0	327.384	3.226	0	5	5	O=C(c1cnc(OCC2CC2)cn1)N1CCCC[C@H]1c1ccco1
342082868	ZINC000625335314	high	2.67	-6.28	0	255.406	1.319	1	3	8	CCCNC(=O)CN(CC)C[C@H]1CCCN1CC
342082869	ZINC000608884864	ref	6.63	-10.27	0	290.754	1.665	0	4	2	N#Cc1cnc(N2CCN(C(=O)C3CC3)CC2)c(Cl)c1
342082870	ZINC000625334049	ref	3.1	-10.64	0	293.429	1.491	0	4	9	COCCCCS(=O)(=O)N1CCC(CCOC)CC1
342082871	ZINC000608886405	ref	7.74	-40.7	1	286.416	1.812	2	3	7	CCC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)OC
168365271	ZINC000368506034	ref	7.13	-42.99	1	343.427	3.138	1	5	5	CCOc1ccc(-c2noc(C[N@@H+]3CC[C@]4(CCCOC4)C3)n2)cc1
365622863	ZINC000617377723	ref	1.01	-12.06	0	251.286	0.654	2	3	3	NC(=O)NCC(=O)N1CCC(c2ccco2)CC1
365622871	ZINC000617373671	ref	1.65	-11.97	0	267.329	0.89	2	4	5	COC[C@H](NC(=O)c1c[nH]nc1C)C1CCOCC1
342082872	ZINC000608886405	mid	7.59	-40.98	1	286.416	1.812	2	3	7	CCC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)OC
168365274	ZINC000368506034	mid	7.05	-42.91	1	343.427	3.138	1	5	5	CCOc1ccc(-c2noc(C[N@H+]3CC[C@]4(CCCOC4)C3)n2)cc1
168365276	ZINC000368506034	mid	4.62	-6.63	0	343.427	3.138	0	6	5	CCOc1ccc(-c2noc(CN3CC[C@]4(CCCOC4)C3)n2)cc1
342082873	ZINC000608886405	high	6.33	-6.32	0	286.416	1.812	1	4	7	CCC[C@@](C)(NC(=O)CN(C)CC(C)(C)C)C(=O)OC
342082874	ZINC000625335324	ref	8.98	-33.22	1	291.443	1.921	1	4	6	CCN(Cc1nnc2n1CCCC2)C[C@H]1CCC[N@@H+]1CC
342082875	ZINC000625335324	mid	7.77	-41.65	1	291.443	1.921	1	4	6	CCN(Cc1nnc2n1CCCC2)C[C@H]1CCC[N@H+]1CC
342082876	ZINC000608885705	ref	6.11	-10.84	0	286.339	1.355	0	7	5	CN(C[C@H]1CCCO1)c1ncnc2c1cnn2CCC#N
168365278	ZINC000368503023	ref	8.67	-106.31	2	344.421	3.244	3	1	6	C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1
342082877	ZINC000608885705	low	6.41	-41.04	1	286.339	1.355	0	6	5	CN(C[C@H]1CCCO1)c1[nH+]cnc2c1cnn2CCC#N
342082878	ZINC000625334297	ref	1.98	-9.33	0	290.36	1.704	1	4	8	CCC[C@H](CNS(=O)(=O)c1cncc(F)c1)OCC
342082879	ZINC000625334297	high	1.61	-39.39	-1	290.36	1.704	0	4	8	CCC[C@H](C[N-]S(=O)(=O)c1cncc(F)c1)OCC
342082880	ZINC000608886314	ref	6.59	-15.28	0	255.281	1.767	0	6	4	Cc1cc(C#N)ccc1OCc1nnnn1C1CC1
343994413	ZINC000139391596	low	0.86	-10.4	0	198.222	0.501	2	4	3	CCCCn1c(O)c(C)c(=O)[nH]c1=O
342598396	ZINC000590814289	mid	5.08	-22.63	0	281.319	1.765	1	4	2	Cc1cc(C(=O)N2CC(n3cccn3)C2)c2n[nH]cc2c1
342598397	ZINC000590813919	ref	3.4	-43.79	1	277.368	1.693	1	3	4	COc1ccc(C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cn1
342598398	ZINC000590814525	ref	8.11	-15.58	0	294.318	1.161	0	6	3	O=C(c1ccc(-n2cncn2)cc1)N1CC(n2cccn2)C1
168365270	ZINC000310005465	mid	5.91	-39.56	1	221.348	2.813	2	1	5	CCC(CC)C[NH2+][C@H]1CCCc2[nH]ncc21
342598399	ZINC000590827721	ref	6.17	-24.04	0	273.34	1.572	1	3	2	Cc1cc(=NC(=O)N2CC(C#N)C2)[nH]n1[C@H](C)C1CC1
342598400	ZINC000590814306	ref	6.46	-17.19	0	296.33	1.392	1	4	3	O=C1Nc2ccccc2[C@H]1CC(=O)N1CC(n2cccn2)C1
168365272	ZINC000040502110	ref	5.61	-36.17	1	212.381	2.497	1	1	6	CCC(CC)C[NH2+][C@H]1CCCN(CC)C1
168365273	ZINC000040502110	low	8.24	-108.79	2	212.381	2.497	2	0	6	CCC(CC)C[NH2+][C@H]1CCC[N@H+](CC)C1
342598401	ZINC000590813590	ref	3.68	-8.9	0	258.387	1.606	2	3	4	CS[C@@H](C)CNC(=O)N[C@@H]1CC12CCOCC2
342598402	ZINC000590828150	ref	4.41	-51.46	-1	291.361	1.676	0	5	1	N#CC1CN(C(=O)N=c2nc(-c3ccsc3)[n-]s2)C1
168365275	ZINC000040502110	low	7.86	-106.93	2	212.381	2.497	2	0	6	CCC(CC)C[NH2+][C@H]1CCC[N@@H+](CC)C1
168365277	ZINC000308237132	ref	7.61	-31.72	1	201.379	2.906	1	1	6	CCC(CC)C[NH2+][C@H]1CC[C@H]1SC
342598403	ZINC000590828150	low	4.37	-21.71	0	291.361	1.676	1	5	1	N#CC1CN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C1
197597170	ZINC000290104881	ref	6.85	-41.18	1	258.365	2.648	2	1	4	CO[C@H](C)[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1
342598404	ZINC000590814204	ref	5.22	-12.61	0	298.346	1.085	1	4	4	C[C@H](NC(=O)c1ccccc1)C(=O)N1CC(n2cccn2)C1
365622864	ZINC000336543119	ref	6.36	-10.51	0	278.4	2.306	1	3	3	Cc1c(CNC(=O)N2CCC[C@@H](C(C)C)C2)cnn1C
342598405	ZINC000590814400	ref	5.19	-9.81	0	259.231	1.609	0	3	2	O=C(N1CC(n2cccn2)C1)C1(C(F)(F)F)CC1
365622870	ZINC000336543250	ref	5.27	-52.86	1	267.332	2.173	2	2	2	O=C(Nc1ccc2ncccc2c1)[C@H]1C[C@]12CC[NH2+]C2
349535818	ZINC000594971189	ref	7.55	-38.28	1	271.401	2.513	1	3	8	COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C[C@@H](C)OC)C1
398246592	ZINC000335866251	ref	7.33	-12.66	0	217.228	2.478	0	4	3	CCn1cc(-c2cccc([N+](=O)[O-])c2)cn1
365622878	ZINC000336542616	ref	4.92	-4.34	0	252.383	2.451	0	4	3	Cc1nc(CN2C[C@H](C)O[C@@H](C3CC3)C2)cs1
168365282	ZINC000368087837	ref	6.99	-47.45	1	221.348	2.293	2	1	5	CCC(CC)C[NH2+][C@H]1CCc2nc[nH]c2C1
342598406	ZINC000616989846	ref	4.64	-16.64	0	299.161	1.981	1	4	4	Cn1nncc1CC(=O)NCc1cc(Cl)cc(Cl)c1
342082881	ZINC000625334082	ref	5.98	-10.56	0	272.414	1.904	0	3	3	COCCC1CCN(C(=O)N2CCSCC2)CC1
214190174	ZINC000293638880	ref	-1.24	-15.31	0	359.382	0.326	4	6	6	O=C(CNC(=O)c1cnc2ccccc2c1O)NC[C@H]1CC[C@@H](CO)O1
168365280	ZINC000368503023	mid	6.74	-43.53	1	344.421	3.244	2	2	6	CN(C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1
214190178	ZINC000293638880	mid	-0.07	-23.35	0	359.382	0.326	4	5	6	O=C(CNC(=O)c1c[nH]c2ccccc2c1=O)NC[C@H]1CC[C@@H](CO)O1
342082882	ZINC000619473051	ref	2.52	-15.06	0	268.338	1.067	1	4	7	COCCCNS(=O)(=O)c1cccc(CC#N)c1
342082883	ZINC000625335313	ref	5.34	-34.05	1	277.416	1.756	2	4	6	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)c1nccc(N)n1
342082884	ZINC000625335313	mid	6.17	-27.98	1	277.416	1.756	2	4	6	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)c1nccc(N)n1
168365281	ZINC000368509203	ref	7.19	-45.87	1	344.48	3.066	3	3	6	O=C(NC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1)c1cccs1
168365283	ZINC000368509203	high	4.84	-9.68	0	344.48	3.066	2	4	6	O=C(NC1CCN(CC[C@@H](O)c2ccccc2)CC1)c1cccs1
342082885	ZINC000625334305	ref	7.26	-44.79	1	294.447	1.779	1	5	9	CCCCn1nnnc1CN(CC)C[C@H]1CCC[N@@H+]1CC
214190181	ZINC000293638880	high	-0.51	-45.98	-1	359.382	0.326	3	5	6	O=C(CNC(=O)c1c[n-]c2ccccc2c1=O)NC[C@H]1CC[C@@H](CO)O1
342082886	ZINC000625334305	mid	6.1	-47.93	1	294.447	1.779	1	5	9	CCCCn1nnnc1CN(CC)C[C@H]1CCC[N@H+]1CC
214190185	ZINC000293649055	ref	6.08	-16.58	0	361.402	0.963	2	7	6	COc1ccc([C@@H](OC)[C@@H](C)NC(=O)C(=O)Nc2nc(C)n(C)n2)cc1
178292430	ZINC000082784240	ref	3.23	-14.42	0	271.338	1.598	1	4	4	CC[C@@H](C)OC(=O)c1ccc(C)c(S(N)(=O)=O)c1
342082887	ZINC000625334235	ref	5.35	-31.13	1	286.46	1.969	2	3	8	CCN(C[C@H](O)COC(C)(C)C)C[C@H]1CCC[N@@H+]1CC
214190189	ZINC000293639228	ref	1.64	-22.6	0	361.442	0.969	4	4	7	CC[C@@H](CO)NC(=O)Cc1ccc(NC(=O)[C@@H]2C[C@H](C)CC(=O)N2)cc1
342082888	ZINC000625334235	mid	3.92	-35.51	1	286.46	1.969	2	3	8	CCN(C[C@H](O)COC(C)(C)C)C[C@H]1CCC[N@H+]1CC
214190194	ZINC000293649025	ref	6.5	-22.54	0	374.393	0.925	2	6	9	COC(=O)[C@@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)OC
185090152	ZINC000096076010	ref	0.12	-14.52	0	291.355	-0.114	1	6	4	CNC(=O)CN1CC[C@]12CCN(c1cc(OC)ncn1)C2
342082889	ZINC000625334235	mid	4.25	-36.21	1	286.46	1.969	2	3	8	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H](O)COC(C)(C)C
342082890	ZINC000625334235	mid	3.68	-36.52	1	286.46	1.969	2	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H](O)COC(C)(C)C
365622881	ZINC000617376924	ref	2.92	-15.04	0	284.356	0.167	1	4	6	COC[C@@H](NC(=O)CN1CCCC1=O)C1CCOCC1
168365284	ZINC000368087837	mid	6.99	-43.16	1	221.348	2.293	2	1	5	CCC(CC)C[NH2+][C@H]1CCc2[nH]cnc2C1
365622893	ZINC000617374750	ref	2.25	-14.97	0	284.356	0.023	1	4	5	COC[C@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1CCOCC1
214190179	ZINC000278495553	ref	7.87	-8.77	0	321.255	2.254	0	6	5	COC(=O)[C@H](C)CN(C)c1cc(C(F)(F)F)ncc1[N+](=O)[O-]
365622900	ZINC000617385931	ref	1.73	-22.51	0	291.307	0.584	2	4	2	O=C1C[C@@H](C(=O)N2CCC(c3ccco3)CC2)NC(=O)N1
185090153	ZINC000096076010	low	3.12	-44.59	1	291.355	-0.114	2	5	4	CNC(=O)C[N@@H+]1CC[C@]12CCN(c1cc(OC)ncn1)C2
365622911	ZINC000617384390	ref	4.5	-16.5	0	268.273	0.744	1	6	8	C=CCOCCNC(=O)c1nn(CC)cc1[N+](=O)[O-]
365622927	ZINC000617374602	ref	2.66	-14.85	0	267.329	0.441	1	5	6	COC[C@@H](NC(=O)Cn1cccn1)C1CCOCC1
197597182	ZINC000290105717	ref	0.65	-56.9	1	297.38	0.812	2	4	4	CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(S(C)(=O)=O)nc1
365622935	ZINC000617375219	ref	3.18	-12.02	0	298.383	0.413	1	4	6	CCN1C[C@@H](C(=O)N[C@@H](COC)C2CCOCC2)CC1=O
365622944	ZINC000617373688	ref	1.65	-9.17	0	286.372	0.459	2	4	7	CCC(=O)N[C@H](C)C(=O)N[C@@H](COC)C1CCOCC1
282120300	ZINC000151572088	ref	5.49	-15.55	0	305.422	2.351	2	3	7	CNC(=O)c1cccc(NCC(=O)N(CC(C)C)C(C)C)c1
214190184	ZINC000278494803	ref	9.34	-104.67	2	314.429	3.405	2	2	6	COc1ccc2oc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cc2c1
282120305	ZINC000151573008	ref	7.96	-17.71	0	320.355	2.436	0	2	5	CCC(=O)N1CC[C@H](C(=O)N(CC2CCC2)CC(F)(F)F)C1
342082891	ZINC000625334285	ref	2.92	-9.48	0	278.418	1.368	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CC[C@H](C)C1)OCC
342082892	ZINC000608886404	ref	7.76	-40.78	1	286.416	1.812	2	3	7	CCC[C@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C(=O)OC
342082893	ZINC000608886404	mid	7.61	-40.88	1	286.416	1.812	2	3	7	CCC[C@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C(=O)OC
342082894	ZINC000608886404	high	6.34	-6.51	0	286.416	1.812	1	4	7	CCC[C@](C)(NC(=O)CN(C)CC(C)(C)C)C(=O)OC
342082895	ZINC000048305707	ref	7.49	-13.39	0	289.335	1.899	0	4	3	C[C@@H]1C[C@@H]1C(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
342082896	ZINC000625335321	ref	8.23	-42.22	1	291.443	1.921	1	4	6	CCN(Cc1nnc2n1CCCC2)C[C@@H]1CCC[N@@H+]1CC
342082897	ZINC000625335321	mid	7.95	-44.97	1	291.443	1.921	1	4	6	CCN(Cc1nnc2n1CCCC2)C[C@@H]1CCC[N@H+]1CC
342082898	ZINC000625334430	ref	3.38	-9.22	0	275.414	1.31	0	4	5	CCO[C@H](CN1CCS(=O)(=O)CC1(C)C)C1CC1
342082899	ZINC000625334448	ref	2.13	-11.54	0	278.352	1.259	1	4	2	Cc1cocc1C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1
365622883	ZINC000336542616	low	6.91	-33.62	1	252.383	2.451	1	3	3	Cc1nc(C[N@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cs1
365622889	ZINC000336542616	low	6.6	-33.58	1	252.383	2.451	1	3	3	Cc1nc(C[N@@H+]2C[C@H](C)O[C@@H](C3CC3)C2)cs1
365622895	ZINC000336543035	ref	7.73	-7.58	0	250.342	2.38	0	2	2	C[C@H]1C(=O)N([C@@H]2CCC(C)(C)C2)C(=O)N1C1CC1
365622904	ZINC000336542979	ref	5.49	-6.94	0	253.371	2.355	0	4	2	Cc1nnc(C(=O)N2CCC[C@H](C(C)C)C2)s1
365622908	ZINC000336542617	ref	4.55	-4.69	0	252.383	2.451	0	4	3	Cc1nc(CN2C[C@H](C)O[C@H](C3CC3)C2)cs1
365622917	ZINC000336542617	low	6.68	-35.14	1	252.383	2.451	1	3	3	Cc1nc(C[N@H+]2C[C@H](C)O[C@H](C3CC3)C2)cs1
178292436	ZINC000082786007	ref	4.24	-8.51	0	251.305	2.174	3	3	3	CC1(NC(=O)c2cccc(F)c2NN)CCCC1
398246595	ZINC000380623365	ref	2.8	-44.39	1	200.282	0.219	1	2	4	C[C@H]1[C@H](C)CCN1C(=O)COCC[NH3+]
178292437	ZINC000082784257	ref	2.56	-12.78	0	275.301	1.428	1	4	4	CC[C@H](C)OC(=O)c1ccc(F)c(S(N)(=O)=O)c1
342082900	ZINC000625334448	mid	4.24	-45.73	1	278.352	1.259	2	3	2	Cc1cocc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
342082901	ZINC000625334105	ref	5.64	-42.75	1	266.389	1.541	1	4	6	CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]CCc1cn(C)nn1
365622924	ZINC000336542617	low	6.84	-34.28	1	252.383	2.451	1	3	3	Cc1nc(C[N@@H+]2C[C@H](C)O[C@H](C3CC3)C2)cs1
398249340	ZINC000651462962	ref	3.67	-9.93	0	268.719	3.021	2	3	5	OC[C@@H](CCF)Nc1ccnc2c(Cl)cccc12
214190182	ZINC000337636776	ref	-0.42	-13.34	0	289.351	0.311	4	3	7	C[C@H](NC(=O)N[C@H]1CCC[C@@H]1CCO)C(=O)NCCF
342082902	ZINC000608885193	ref	4.6	-10.97	0	278.743	1.712	1	4	2	CC(=O)NC1CCN(c2ncc(C#N)cc2Cl)CC1
214190186	ZINC000337635550	ref	6.26	-11.76	0	253.371	3.016	2	3	3	CCc1cnc(NC(=O)N[C@H]2CCC[C@H]2C)s1
342082903	ZINC000625334199	ref	4.05	-40.64	1	253.39	1.071	2	2	6	CCN(C[C@@H]1CCC(=O)N1)C[C@@H]1CCC[N@@H+]1CC
342082904	ZINC000625334199	mid	5.01	-38.38	1	253.39	1.071	2	2	6	CCN(C[C@@H]1CCC(=O)N1)C[C@@H]1CCC[N@H+]1CC
342082905	ZINC000625334199	mid	4.38	-42.41	1	253.39	1.071	2	2	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H]1CCC(=O)N1
214190190	ZINC000337633743	ref	5.49	-10.86	0	288.395	3.105	3	2	5	Cc1ccc2[nH]c(CNC(=O)N[C@@H](C)CC(C)C)nc2c1
342082906	ZINC000625334199	mid	4.22	-42.53	1	253.39	1.071	2	2	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H]1CCC(=O)N1
365622933	ZINC000336543001	ref	8.32	-44.62	1	296.773	2.437	1	1	3	CN(Cc1ccc(F)cc1Cl)C(=O)[C@@H]1C[C@]12CC[NH2+]C2
398249341	ZINC000651462962	low	4.07	-31.38	1	268.719	3.021	2	2	5	OC[C@@H](CCF)Nc1cc[nH+]c2c(Cl)cccc12
214190188	ZINC000278494803	high	8.1	-35.42	1	314.429	3.405	2	3	6	COc1ccc2oc(CNCC3CC[NH+](C4CC4)CC3)cc2c1
342598407	ZINC000590814408	ref	5.14	-11.35	0	288.326	1.785	0	4	3	CN(C)c1ccc(C(=O)N2CC(n3cccn3)C2)cc1F
185090155	ZINC000096076010	low	3.2	-40.42	1	291.355	-0.114	2	5	4	CNC(=O)C[N@H+]1CC[C@]12CCN(c1cc(OC)ncn1)C2
282120302	ZINC000248948658	ref	0.16	-11.5	0	318.776	1.481	3	4	7	C[C@H](O)CN(CC(=O)Nc1cc(Cl)ccc1F)[C@H](C)CO
290623051	ZINC000457675930	ref	7.85	-9.56	0	293.451	3.334	0	2	2	C[C@H]1CC[C@@](C)(C(=O)N2CC[C@H]([C@@H]3CCOC3)C2)C1(C)C
290623056	ZINC000004163930	ref	8.52	-6.79	0	257.333	2.608	0	2	2	C[C@H]1CC[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1
214190200	ZINC000278494886	ref	8.75	-15.48	0	303.41	1.381	0	5	3	CN(C)C(=O)C1CCN(c2cc(N3CCCC3)ncn2)CC1
282120307	ZINC000248948658	mid	1.65	-37.59	1	318.776	1.481	4	3	7	C[C@H](O)C[N@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H](C)CO
214190204	ZINC000278494886	low	9.22	-36.06	1	303.41	1.381	0	4	3	CN(C)C(=O)C1CCN(c2cc(N3CCCC3)[nH+]cn2)CC1
365622894	ZINC000121990945	ref	6.9	-17.89	0	288.395	2.094	0	4	5	CN(C(=O)CCC1CC1)[C@@H]1CCCN(c2cccnn2)C1
365622910	ZINC000121844622	ref	10.96	-14.98	0	275.381	2.33	0	6	7	C=CCn1c(SCCn2ccnc2)nnc1C1CC1
365622920	ZINC000121844622	low	11.48	-38.83	1	275.381	2.33	0	5	7	C=CCn1c(SCCn2cc[nH+]c2)nnc1C1CC1
342598408	ZINC000590814273	ref	6.74	-13.28	0	285.347	1.826	0	4	4	COc1ccc(C)cc1CC(=O)N1CC(n2cccn2)C1
342598409	ZINC000616989452	ref	5.83	-37.54	1	254.374	1.592	2	2	5	CC(=O)CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
349535821	ZINC000093299742	ref	1.01	-5.48	0	268.338	0.916	2	4	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1O
185090157	ZINC000096077577	ref	1.83	-21.35	0	298.368	-0.191	0	5	2	Cn1cc(N2C[C@]3(CCN(S(C)(=O)=O)C3)CC2=O)cn1
349535825	ZINC000093301410	ref	2.24	-7.56	0	280.299	0.993	2	3	1	C[C@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1O
214190207	ZINC000278494886	low	9.09	-37.75	1	303.41	1.381	0	4	3	CN(C)C(=O)C1CCN(c2cc(N3CCCC3)nc[nH+]2)CC1
365622929	ZINC000121844889	ref	4.2	-7.18	0	285.428	2.497	2	3	10	CC(C)C[C@@H](C)OCCC(=O)NCC1(CCO)CCC1
365622937	ZINC000121921510	ref	4.73	-17.33	0	283.331	2.065	2	3	2	N#CC1(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)CCCC1
365622947	ZINC000121928321	ref	6.25	-6.79	0	263.337	2.251	0	4	4	COC(=O)CN1C[C@H](C)C[C@H]1c1ccc(OC)cc1
365622956	ZINC000121928321	mid	8.35	-37.6	1	263.337	2.251	1	3	4	COC(=O)C[N@@H+]1C[C@H](C)C[C@H]1c1ccc(OC)cc1
210256475	ZINC000004711805	ref	8.94	-53.89	1	329.444	1.698	2	2	6	Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCC[NH+]2CCCC2)cc1
210256489	ZINC000004711805	high	6.51	-16.54	0	329.444	1.698	1	3	6	Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)NCCN2CCCC2)cc1
210256494	ZINC000004710733	ref	8.68	-11.79	0	344.455	2.548	0	3	4	COc1ccc(CN2C[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)CC2=O)cc1
210256498	ZINC000004714071	ref	8.54	-7.78	0	341.75	3.722	0	5	2	Cc1ccc(C2=N/C(=C\c3cc4c(cc3Cl)OCO4)C(=O)O2)cc1
210256503	ZINC000004713224	ref	8.97	-8.87	0	342.609	3.958	0	2	1	O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cc(Cl)c(Cl)c(Cl)c1
210256508	ZINC000004711409	ref	10.57	-11.55	0	342.483	3.081	1	2	5	Cc1ccc(CCN2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)CC2=O)cc1
342082907	ZINC000608885672	ref	9.87	-14.94	0	291.355	1.702	0	7	3	COC(=O)c1nc2nc(C)cc(N(C)CC(C)(C)C)n2n1
214190193	ZINC000337633743	mid	5.49	-10.48	0	288.395	3.105	3	2	5	Cc1ccc2nc(CNC(=O)N[C@@H](C)CC(C)C)[nH]c2c1
342082908	ZINC000625334237	ref	4.39	-35.81	1	286.46	1.969	2	3	8	CCN(C[C@H](O)COC(C)(C)C)C[C@@H]1CCC[N@@H+]1CC
210256511	ZINC000004713598	ref	9.47	-5.86	0	340.18	4.971	0	4	3	O=Nc1cc(-c2ccccc2)nc(-c2ccc(Br)cc2)n1
342082909	ZINC000625334237	mid	4.22	-33.1	1	286.46	1.969	2	3	8	CCN(C[C@H](O)COC(C)(C)C)C[C@@H]1CCC[N@H+]1CC
342082910	ZINC000625334237	mid	4.48	-35.46	1	286.46	1.969	2	3	8	CCN1CCC[C@H]1C[N@H+](CC)C[C@H](O)COC(C)(C)C
342082911	ZINC000625334237	mid	3.98	-33.7	1	286.46	1.969	2	3	8	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H](O)COC(C)(C)C
342082912	ZINC000625334223	ref	3.84	-7.16	0	292.445	1.9	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCCC[C@@H]1C)OCC
342082913	ZINC000625334401	ref	3.77	-14.23	0	289.401	1.386	1	5	9	CCC[C@@H](CNS(=O)(=O)c1cn(CC)cn1)OCC
342082914	ZINC000625334401	high	3.4	-54.15	-1	289.401	1.386	0	5	9	CCC[C@@H](C[N-]S(=O)(=O)c1cn(CC)cn1)OCC
342082915	ZINC000238031073	ref	7.01	-41.51	1	299.418	1.398	2	2	2	O=C([C@H]1Cc2ccccc2CN1)N1CC[C@@H]([NH+]2CCCC2)C1
342082916	ZINC000238031073	mid	8.35	-92.79	2	299.418	1.398	2	1	2	O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1
342082917	ZINC000238031073	high	4.6	-7.93	0	299.418	1.398	1	3	2	O=C([C@H]1Cc2ccccc2CN1)N1CC[C@@H](N2CCCC2)C1
342082918	ZINC000618607643	ref	4.93	-17.24	0	256.252	1.16	1	3	3	Cn1cccc(C(=O)NC[C@@]2(C)CC2(F)F)c1=O
342082919	ZINC000625335278	ref	5.05	-30.89	1	277.416	1.756	2	4	6	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)c1nccc(N)n1
365622906	ZINC000274322010	mid	5.7	-42.36	1	261.329	1.035	2	3	1	C[N@H+]1CC[C@H]2CCN(C(=O)Nc3cncnc3)[C@H]2C1
365622913	ZINC000274322010	high	2.98	-10.18	0	261.329	1.035	1	4	1	CN1CC[C@H]2CCN(C(=O)Nc3cncnc3)[C@H]2C1
342082920	ZINC000625335278	mid	3.96	-35.53	1	277.416	1.756	2	4	6	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)c1nccc(N)n1
342082921	ZINC000625334221	ref	3.84	-6.72	0	292.445	1.9	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCCC[C@H]1C)OCC
398246598	ZINC000650862050	ref	7.26	-44.43	1	298.39	1.814	2	3	4	Cn1ccc(C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)n1
290623055	ZINC000492524427	ref	2.68	-11.45	0	292.379	2.017	2	4	8	CC[C@H](C[C@H](C)CO)NC(=O)/C=C/c1cncc(OC)c1
342082922	ZINC000625334446	ref	2.76	-10.84	0	278.352	1.259	1	4	2	Cc1cocc1C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
342082923	ZINC000625334446	mid	4.89	-40.78	1	278.352	1.259	2	3	2	Cc1cocc1C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
342082924	ZINC000608886376	ref	6.15	-39.78	1	258.362	1.034	2	3	7	COC(=O)CCCNC(=O)C[N@H+](C)CC(C)(C)C
342082925	ZINC000608886376	mid	6.0	-40.09	1	258.362	1.034	2	3	7	COC(=O)CCCNC(=O)C[N@@H+](C)CC(C)(C)C
342082926	ZINC000608886376	high	4.73	-9.85	0	258.362	1.034	1	4	7	COC(=O)CCCNC(=O)CN(C)CC(C)(C)C
342082927	ZINC000608879929	ref	5.9	-10.17	0	276.296	1.966	1	5	5	Cc1ncc([N+](=O)[O-])cc1C(=O)N[C@H](C#N)CC(C)C
365622919	ZINC000645272767	ref	5.53	-10.64	0	267.332	1.838	0	4	3	COCC#CCN1Cc2cnn(-c3ccccc3)c2C1
342082928	ZINC000608885376	ref	8.03	-13.33	0	269.264	1.9	2	5	4	O=[N+]([O-])c1cccc(CNc2ncnc3[nH]ccc23)c1
365622928	ZINC000274320428	ref	1.85	-19.38	0	283.349	1.098	2	5	6	O=C1O[C@H](CSC[C@H](O)CO)CN1c1ccccc1
342082929	ZINC000608885376	mid	8.43	-43.32	1	269.264	1.9	2	4	4	O=[N+]([O-])c1cccc(CNc2[nH+]cnc3[nH]ccc23)c1
365622938	ZINC000274320400	ref	5.12	-11.89	0	282.292	1.624	0	6	6	COC(=O)c1ccc(OC)cc1OCCC1OCCO1
365622950	ZINC000274319015	ref	3.31	-34.98	1	254.355	1.627	1	3	5	Cc1cc(NCC2(CS(C)(=O)=O)CC2)cc[nH+]1
342082930	ZINC000625334172	ref	6.12	-34.36	1	250.39	1.726	1	3	6	CCN(Cc1ccn(C)n1)C[C@@H]1CCC[N@@H+]1CC
282120309	ZINC000248948658	mid	2.91	-38.62	1	318.776	1.481	4	3	7	C[C@H](O)C[N@@H+](CC(=O)Nc1cc(Cl)ccc1F)[C@H](C)CO
282120314	ZINC000248951509	ref	5.88	-39.12	1	317.433	1.565	3	2	6	C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccccc1C(N)=O
282120316	ZINC000248951509	mid	5.94	-39.0	1	317.433	1.565	3	2	6	C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Cc1ccccc1C(N)=O
365622912	ZINC000172825891	ref	3.95	-20.24	0	294.376	1.381	0	3	2	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCC1
342598410	ZINC000616989452	mid	5.83	-38.02	1	254.374	1.592	2	2	5	CC(=O)CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
168365285	ZINC000368508921	ref	10.42	-57.64	1	346.425	3.279	1	3	5	Cc1cc(N2CCC[C@@H]([NH2+]C/C=C/c3ccc(F)c(F)c3)C2)n(C)n1
168365287	ZINC000368509331	ref	3.18	-9.98	0	348.83	3.375	0	5	4	Clc1cccc(-c2nc(CN3CCOC[C@H]3[C@H]3CCCO3)co2)c1
342598411	ZINC000590814303	ref	6.1	-11.88	0	282.347	1.329	0	4	3	O=C(CN1CCc2ccccc21)N1CC(n2cccn2)C1
290623057	ZINC000492524965	ref	4.58	-11.21	0	260.337	2.089	1	3	4	Cc1ccncc1/C=C\C(=O)NC[C@@]1(C)CCCO1
365622922	ZINC000172823159	ref	3.68	-14.56	0	298.346	1.453	1	5	2	Cc1nccc(N2CCN(C(=O)c3cccc(O)c3)CC2)n1
290623058	ZINC000492523998	ref	4.09	-18.53	0	288.278	2.188	2	4	5	O=C(/C=C\c1cncc(O)c1)NOCc1ccc(F)cc1
365622934	ZINC000172823159	low	4.13	-43.39	1	298.346	1.453	1	4	2	Cc1nc(N2CCN(C(=O)c3cccc(O)c3)CC2)cc[nH+]1
365622939	ZINC000172823159	high	4.43	-54.6	-1	298.346	1.453	0	5	2	Cc1nccc(N2CCN(C(=O)c3cccc([O-])c3)CC2)n1
214190197	ZINC000337632859	ref	0.48	-13.38	0	288.266	0.563	2	4	9	CCN(CCOCCO)C(=O)NCCOC(F)(F)F
197597205	ZINC000162871117	ref	3.17	-8.6	0	320.133	2.371	2	2	2	O=C(N[C@H]1CCC[C@@H]1O)c1cc(F)c(F)cc1Br
214190201	ZINC000337635248	ref	6.46	-7.16	0	278.302	3.312	2	1	3	Cc1ccc2[nH]c(C(=O)NC3(C(F)F)CC3)c(C)c2c1
282120311	ZINC000151567224	ref	4.73	-23.47	0	312.325	2.102	2	4	5	COc1ccccc1CCNC(=O)c1cccc2[nH]c(=O)oc12
282120319	ZINC000151572243	ref	9.25	-56.42	1	324.428	2.389	1	3	7	Cc1cncc(/C=C/C(=O)N(CC[NH+](C)C)Cc2ccccn2)c1
282120330	ZINC000151572243	high	6.79	-12.79	0	324.428	2.389	0	4	7	Cc1cncc(/C=C/C(=O)N(CCN(C)C)Cc2ccccn2)c1
342598412	ZINC000590813930	ref	4.48	-14.35	0	272.345	1.054	2	4	8	CCOC(=O)COCCNC(=O)N[C@@H](C)C1CCC1
365622946	ZINC000172826218	ref	5.79	-13.0	0	254.334	1.038	1	6	6	CCOC(=O)C(C)(C)NCc1nnc(C)n1CC
365622964	ZINC000172827946	ref	5.89	-9.7	0	281.4	1.709	0	4	6	COC[C@@H](C)N(C)C(=O)[C@@H](C)Cc1c(C)nn(C)c1C
365622976	ZINC000172821481	ref	5.78	-38.57	1	262.357	1.086	1	4	3	Cc1nccc(N2CC[NH+](C[C@H]3CCCO3)CC2)n1
365622983	ZINC000172821481	mid	3.53	-7.53	0	262.357	1.086	0	5	3	Cc1nccc(N2CCN(C[C@H]3CCCO3)CC2)n1
210256415	ZINC000428343763	ref	0.45	-12.39	0	339.392	0.426	1	7	7	CCOC(=O)CNC(=O)[C@@H]1COCCN1Cc1oc(CC)nc1C
343994415	ZINC000599271640	mid	6.76	-44.46	1	281.356	1.901	1	5	6	COC(=O)CCCC[N@H+]1CCC[C@H](c2nc(C)no2)C1
342082931	ZINC000625334172	mid	5.91	-34.04	1	250.39	1.726	1	3	6	CCN(Cc1ccn(C)n1)C[C@@H]1CCC[N@H+]1CC
297220784	ZINC000443373616	low	1.73	-10.03	0	317.164	2.546	1	4	3	Cc1cnc(NS(=O)(=O)c2cccc(Br)c2)o1
210256426	ZINC000428342009	ref	1.03	-20.57	0	347.481	0.964	3	4	9	CCC1(CNC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1
349535822	ZINC000594970072	ref	7.16	-52.27	1	281.359	2.987	1	3	5	COc1cncc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c1
349535827	ZINC000594970072	mid	6.09	-7.98	0	281.359	2.987	1	4	5	COc1cncc(CNC(C)(C)c2cccc(C#N)c2)c1
210256432	ZINC000428330285	ref	3.49	-56.91	1	348.465	0.094	3	5	7	COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCC[NH+]1CCC(O)CC1
210256435	ZINC000428330285	mid	1.11	-17.76	0	348.465	0.094	2	6	7	COC(=O)[C@@H]1CCC[C@@H]1S(=O)(=O)NCCCN1CCC(O)CC1
210256440	ZINC000428334676	ref	7.21	-16.67	0	331.376	0.848	1	6	5	Cc1occc1C(=O)NCC(=O)N1CCC(Cn2cncn2)CC1
214190198	ZINC000293637830	ref	6.32	-21.38	0	368.375	0.291	1	8	6	Cc1nc(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)nn1C
342082932	ZINC000238028542	ref	4.45	-56.32	1	290.342	1.409	2	3	7	[NH3+]CCCCNC(=O)Cc1ccn(-c2ccc(F)cc2)n1
342082933	ZINC000625334304	ref	6.51	-46.99	1	294.447	1.779	1	5	9	CCCCn1nnnc1CN(CC)C[C@@H]1CCC[N@@H+]1CC
342082934	ZINC000625334304	mid	7.2	-36.85	1	294.447	1.779	1	5	9	CCCCn1nnnc1CN(CC)C[C@@H]1CCC[N@H+]1CC
342082935	ZINC000238024636	ref	2.71	-53.63	1	292.379	1.041	2	3	8	[NH3+]C[C@@H](C(=O)NCCOC[C@@H]1CCCO1)c1ccccc1
210256446	ZINC000428341958	ref	4.82	-25.55	0	349.435	0.313	1	5	4	CN(CC(=O)NC(C)(C)C)C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1cnn(C)c1
432002773	ZINC000129202273	ref	7.41	-12.94	0	301.365	3.004	2	2	4	O=C(NCCn1cccc1)N[C@@H]1CCCc2cc(F)ccc21
136228564	ZINC000191593781	high	2.72	-7.86	0	219.288	0.923	2	4	6	C=CC[C@@H](CO)NCc1cc(C#N)n(C)c1
343994419	ZINC000599271640	high	4.46	-9.39	0	281.356	1.901	0	6	6	COC(=O)CCCCN1CCC[C@H](c2nc(C)no2)C1
178292461	ZINC000082784247	ref	2.9	-11.76	0	291.756	1.943	1	4	4	CC[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1Cl
432002776	ZINC000129250115	ref	8.39	-5.81	0	320.408	3.5	1	2	3	CC[C@H]1CCCC[C@H]1N(C)C(=O)C(=O)Nc1cc(C)ccc1F
342598413	ZINC000590814169	ref	7.69	-14.79	0	285.347	1.872	0	4	5	C[C@@H](OCc1ccccc1)C(=O)N1CC(n2cccn2)C1
365622923	ZINC000623052691	low	7.07	-42.32	1	321.396	1.385	2	2	6	C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)CC(=O)N1CCCC1
342598414	ZINC000616989732	ref	5.72	-39.17	1	261.369	1.932	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cccnc2)C1
365622932	ZINC000623052691	low	7.08	-39.6	1	321.396	1.385	2	2	6	C[C@@H](C(=O)NCc1ccccc1F)[N@@H+](C)CC(=O)N1CCCC1
342598415	ZINC000616989732	mid	5.69	-38.7	1	261.369	1.932	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cccnc2)C1
365622940	ZINC000623053342	ref	2.8	-8.72	0	317.418	1.843	1	6	3	CC(C)c1nnc(C(=O)N2CCNC[C@H]2c2cccnc2)s1
342598416	ZINC000590814470	ref	7.97	-14.69	0	285.347	1.962	0	4	4	Cc1cc(C)cc(OCC(=O)N2CC(n3cccn3)C2)c1
365622949	ZINC000623053342	mid	4.14	-52.16	1	317.418	1.843	1	5	3	CC(C)c1nnc(C(=O)N2CC[NH2+]C[C@H]2c2cccnc2)s1
365622961	ZINC000623051766	ref	0.8	-56.38	1	304.437	1.597	1	5	5	COc1ncc(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)s1
365622969	ZINC000623051766	mid	-0.28	-14.02	0	304.437	1.597	1	6	5	COc1ncc(CN[C@H]2CCC[C@H](S(C)(=O)=O)C2)s1
185090159	ZINC000096077367	ref	7.65	-17.91	0	286.375	2.298	0	2	2	CC(C)C(=O)N1CC[C@@]2(CC(=O)N(c3ccccc3)C2)C1
365622977	ZINC000623052904	ref	2.69	-59.8	1	309.366	1.667	2	4	4	COc1cc(NC(=O)N2CCC([NH3+])CC2)cc(OC)c1OC
168365286	ZINC000368087837	low	7.47	-96.3	2	221.348	2.293	2	0	5	CCC(CC)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1
168365288	ZINC000368087837	low	7.47	-96.63	2	221.348	2.293	2	0	5	CCC(CC)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1
342598417	ZINC000590814064	ref	5.29	-12.63	0	271.324	1.191	0	5	3	Cn1ncc(C(=O)N2CC(n3cccn3)C2)c1C1CC1
365622985	ZINC000623051141	ref	4.35	-12.48	0	317.433	1.732	1	4	7	CCN1C[C@@H](CN(C)CC(=O)NCC2CC2)Oc2ccccc21
168365289	ZINC000373636656	ref	6.44	-42.4	1	247.382	3.233	2	1	6	CCC(CC)C[NH2+][C@H]1C[C@@H](CO)c2ccccc21
365622997	ZINC000623051141	low	6.69	-41.32	1	317.433	1.732	2	3	7	CCN1C[C@@H](C[N@H+](C)CC(=O)NCC2CC2)Oc2ccccc21
342598418	ZINC000590813488	ref	6.71	-44.91	1	295.427	1.378	1	2	4	CC(C)[NH2+][C@@H]1CCCN(C(=O)CN2CCCCCC2=O)C1
365623006	ZINC000623051141	low	6.68	-43.44	1	317.433	1.732	2	3	7	CCN1C[C@@H](C[N@@H+](C)CC(=O)NCC2CC2)Oc2ccccc21
168365291	ZINC000369917161	ref	7.41	-35.74	1	225.376	2.97	1	1	6	CCC(CC)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1
342598419	ZINC000590814092	ref	4.9	-12.23	0	259.313	1.105	0	5	3	CCn1nc(C)cc1C(=O)N1CC(n2cccn2)C1
342082936	ZINC000238024636	high	2.36	-11.71	0	292.379	1.041	2	4	8	NC[C@@H](C(=O)NCCOC[C@@H]1CCCO1)c1ccccc1
214190202	ZINC000293648540	ref	2.4	-25.22	0	374.441	0.796	3	4	4	Cc1ccc(C(N)=O)cc1NC(=O)C(=O)N1CCCNC(=O)[C@H]1CC(C)C
214190206	ZINC000293636374	ref	2.55	-15.91	0	351.403	0.935	2	5	7	CNC(=O)CCCN(C)C(=O)C(=O)Nc1cc(OC)c(C)c(OC)c1
342088504	ZINC000121367515	ref	6.72	-15.03	0	289.383	1.554	1	5	6	Cc1c(C(=O)NCCc2cncn2C)cnn1CC(C)C
136228565	ZINC000283278492	ref	1.69	-8.12	0	205.261	0.94	0	4	5	C#CCN(CC)Cc1ccc(OC)nn1
365622926	ZINC000576541627	ref	6.22	-33.31	1	205.305	2.097	1	2	4	C[C@H]([N@H+](C)Cc1cnccn1)C1(C)CC1
214190209	ZINC000293645832	ref	1.67	-10.59	0	352.387	0.559	2	6	5	COc1cc(NC(=O)C(=O)N2C[C@H](OC)C[C@H]2CO)cc(OC)c1C
214190214	ZINC000293644786	ref	2.64	-17.63	0	352.456	0.975	2	4	8	C[C@H](c1ccccc1)[C@@H](NC(=O)CC1(CS(C)(=O)=O)CC1)C(N)=O
342088505	ZINC000121367515	low	7.23	-39.64	1	289.383	1.554	1	4	6	Cc1c(C(=O)NCCc2c[nH+]cn2C)cnn1CC(C)C
342088506	ZINC000121360973	ref	5.44	-19.2	0	299.309	1.475	1	5	4	Cn1cncc1CCNC(=O)c1cc(F)cc2nccnc12
214190219	ZINC000293648695	ref	7.84	-46.4	1	355.442	0.879	2	4	2	C[C@@H]1NC(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)=NN(c2ccccc2)C1=O
168365290	ZINC000368504564	ref	5.45	-4.49	0	326.234	3.083	0	3	4	Brc1ccccc1OCCN1CCC[C@]12CCOC2
342088507	ZINC000121360973	low	5.95	-44.56	1	299.309	1.475	1	4	4	Cn1c[nH+]cc1CCNC(=O)c1cc(F)cc2nccnc12
342088508	ZINC000621363647	ref	4.98	-36.75	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@H+](C[C@H]2COc3ccccc3O2)C[C@H]1CO
342088509	ZINC000621363647	mid	5.44	-37.65	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@@H+](C[C@H]2COc3ccccc3O2)C[C@H]1CO
342088510	ZINC000621363647	high	3.18	-7.73	0	277.364	1.777	1	4	3	C[C@@H]1CCN(C[C@H]2COc3ccccc3O2)C[C@H]1CO
342088511	ZINC000121508176	ref	5.79	-19.04	0	288.351	1.333	1	5	8	Cn1cncc1CCNC(=O)CCCOc1cccnc1
342088512	ZINC000121508176	low	6.31	-43.32	1	288.351	1.333	1	4	8	Cn1c[nH+]cc1CCNC(=O)CCCOc1cccnc1
342088513	ZINC000121473227	ref	6.31	-15.14	0	275.356	1.478	1	5	5	Cc1c(C(=O)NCCc2cncn2C)cnn1C(C)C
342088514	ZINC000121473227	low	6.82	-39.8	1	275.356	1.478	1	4	5	Cc1c(C(=O)NCCc2c[nH+]cn2C)cnn1C(C)C
342088515	ZINC000621363644	ref	4.95	-36.01	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1CO
365622930	ZINC000576541627	mid	5.76	-33.58	1	205.305	2.097	1	2	4	C[C@H]([N@@H+](C)Cc1cnccn1)C1(C)CC1
365622936	ZINC000576541627	high	3.94	-4.34	0	205.305	2.097	0	3	4	C[C@H](N(C)Cc1cnccn1)C1(C)CC1
342598420	ZINC000616989417	ref	2.28	-13.27	0	287.146	1.888	2	2	4	O=C(C[C@@H]1CC(=O)N1)NCc1cc(Cl)cc(Cl)c1
365622945	ZINC000576547750	ref	8.16	-39.2	1	243.354	3.231	2	1	4	CC(C)([NH2+]Cc1ccc2[nH]cnc2c1)C1CCC1
365622948	ZINC000576547750	mid	8.15	-42.99	1	243.354	3.231	2	1	4	CC(C)([NH2+]Cc1ccc2nc[nH]c2c1)C1CCC1
342598421	ZINC000590814201	ref	3.97	-43.77	-1	279.246	1.564	0	4	2	O=C(c1c([O-])cc(F)cc1F)N1CC(n2cccn2)C1
365622955	ZINC000576541867	ref	4.57	-7.37	0	230.327	2.611	2	1	3	CC(C)C(C)(C)NC(=O)N[C@@H]1CC[C@@H](F)C1
365622962	ZINC000576541526	ref	6.11	-13.06	0	234.303	2.033	2	3	2	CC1(C)C(NC(=O)Nc2ccncn2)C1(C)C
365622966	ZINC000576551821	ref	6.46	-33.04	1	225.376	2.658	2	1	3	C[C@@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1CCC[C@H]1O
342598422	ZINC000590814201	low	3.2	-12.0	0	279.246	1.564	1	4	2	O=C(c1c(O)cc(F)cc1F)N1CC(n2cccn2)C1
365622973	ZINC000576551821	mid	6.29	-32.6	1	225.376	2.658	2	1	3	C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H]1CCC[C@H]1O
365622979	ZINC000576550503	ref	0.8	-6.56	0	237.303	1.544	1	5	3	C[C@@H](O)[C@@H]1CCN(c2nc(C3CCC3)no2)C1
365622987	ZINC000576542976	ref	7.33	-25.65	0	248.286	0.918	0	5	4	Cc1ccc(CC(=O)N(C)Cc2nncn2C)o1
282120312	ZINC000424373031	ref	6.7	-45.01	-1	327.446	2.979	1	4	8	CCC(CC)(CNS(=O)(=O)c1ccccc1C(C)C)C(=O)[O-]
365622996	ZINC000576544676	ref	7.01	-41.46	1	246.398	2.722	1	1	6	C[C@@H]1CCN(CC[NH2+]C[C@H](C)c2ccccc2)C1
342598423	ZINC000590814340	ref	5.19	-13.99	0	271.324	1.041	0	5	3	CN(C)c1ncccc1C(=O)N1CC(n2cccn2)C1
365623008	ZINC000576544676	low	9.58	-119.15	2	246.398	2.722	2	0	6	C[C@@H]1CC[N@@H+](CC[NH2+]C[C@H](C)c2ccccc2)C1
365623012	ZINC000576544676	low	9.64	-118.9	2	246.398	2.722	2	0	6	C[C@@H]1CC[N@H+](CC[NH2+]C[C@H](C)c2ccccc2)C1
365623018	ZINC000576546831	ref	8.35	-5.29	0	225.376	3.461	0	1	3	CN(CC(C)(C)C)C(=O)CC1(C)CCCC1
365623026	ZINC000576545287	ref	1.12	-9.27	0	207.277	1.074	1	4	2	C[C@H]1C[C@@H](CO)CCN1c1cccnn1
282120320	ZINC000261631620	ref	2.05	-46.0	-1	342.417	1.263	2	5	8	CCC(CC)(CNS(=O)(=O)c1ccc(C)c(C(N)=O)c1)C(=O)[O-]
365623032	ZINC000576550256	ref	0.78	-38.73	-1	223.276	1.373	0	4	3	CC(C)c1noc(=NCC2=CCOCC2)[n-]1
365623041	ZINC000576542814	ref	5.73	-39.52	1	238.335	1.375	2	4	7	COCc1cc(N[C@H](C)CC[NH+](C)C)ncn1
365623049	ZINC000576548122	ref	7.96	-33.66	1	238.419	3.147	2	0	7	C=CCCCC[N@@H+](C)C1CC[NH+](C(C)C)CC1
197597221	ZINC000290104703	ref	5.19	-11.12	0	281.699	1.834	0	6	4	COC(=O)c1ccc(OCc2cnn(C)n2)c(Cl)c1
342598424	ZINC000616989519	ref	3.89	-38.37	1	262.357	1.327	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)C1
365622943	ZINC000336543126	ref	5.74	-12.67	0	283.318	2.396	1	2	3	C[C@H]1CN(C(=O)Cc2cccc(C(F)F)c2)CC[C@H]1O
342598425	ZINC000616989519	mid	3.86	-38.0	1	262.357	1.327	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cnccn2)C1
214190203	ZINC000337633919	ref	3.21	-17.85	0	286.311	-0.56	3	5	7	C[C@@H](Cn1cncn1)NC(=O)N[C@@H](C)C(=O)NCCF
214190208	ZINC000337634140	ref	5.57	-20.15	0	299.461	2.193	1	3	8	C[C@H](SCc1ccccc1)C(=O)NCCC[S@](C)=O
199273180	ZINC000294963783	ref	5.32	-45.67	1	283.375	3.116	1	3	6	COc1nccc(C[NH2+][C@@H](c2ccccc2)C2CCC2)n1
342598426	ZINC000590813430	ref	2.66	-46.32	1	298.431	1.204	3	2	8	CC(C)[NH2+][C@@H]1CCCN(C(=O)CCCCCNC(N)=O)C1
342598427	ZINC000616989501	ref	5.54	-35.97	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)no1
199273181	ZINC000294963783	mid	4.95	-7.68	0	283.375	3.116	1	4	6	COc1nccc(CN[C@@H](c2ccccc2)C2CCC2)n1
365622952	ZINC000336542921	ref	7.44	-14.51	0	275.327	2.448	0	3	3	Cc1cc(CN(C)C(=O)c2cn(C)nc2C)ccc1F
365622958	ZINC000336543257	ref	6.65	-11.55	0	255.321	2.149	1	3	3	CC1=CCCN(C(=O)CNc2cccc(C#N)c2)C1
342598428	ZINC000616989501	mid	5.54	-36.39	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)no1
342598429	ZINC000616989930	ref	2.88	-18.18	0	291.698	1.717	3	5	2	Cn1cc(C#N)c(NC(=O)Nc2ccc(O)c(Cl)c2)n1
365622974	ZINC000336543143	ref	9.15	-25.17	0	280.328	2.237	1	5	3	CSc1c(F)cccc1C(=O)Nc1nnc(C)n1C
199273183	ZINC000294963870	ref	5.13	-95.41	2	275.396	1.595	3	1	7	CC[N@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1C)C1CC1
365622980	ZINC000336543296	ref	5.97	-12.52	0	288.347	2.177	1	3	3	C[C@@H]1C[C@@H](C(=O)Nc2ccccc2N2CCCC2=O)CO1
299072386	ZINC000358088841	ref	-0.22	-11.2	0	316.317	1.704	2	6	5	COc1cncc(C(=O)Nc2cc(NC(C)=O)ccc2OC)n1
214190210	ZINC000337635245	ref	9.89	-36.45	1	261.409	3.496	1	1	5	COC1CC[NH+](Cc2ccc(CC(C)C)cc2)CC1
342598430	ZINC000616989930	mid	3.64	-54.98	-1	291.698	1.717	2	5	2	Cn1cc(C#N)c(NC(=O)Nc2ccc([O-])c(Cl)c2)n1
365622990	ZINC000336542702	ref	7.2	-10.54	0	285.347	2.145	0	4	3	Cc1cnn(CCC(=O)N2CCOCc3ccccc32)c1
299072533	ZINC000358087407	mid	9.25	-85.93	2	308.47	1.62	3	1	4	C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)C1=CC[N@@H+](C)CC1
365622951	ZINC000617386225	ref	6.73	-18.73	0	281.247	0.889	0	6	3	CCn1cc([N+](=O)[O-])c(C(=O)N2CC[C@](F)(C#N)C2)n1
365622959	ZINC000617381184	ref	6.3	-10.0	0	295.339	0.446	0	6	8	CCOC[C@H](C(=O)OC)N(C)C(=O)CCc1ccncn1
342082937	ZINC000625334729	ref	3.58	-29.96	1	253.39	1.071	2	2	5	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCCNC1=O
365622968	ZINC000617383400	ref	2.45	-12.22	0	265.313	0.915	2	3	3	CNC(=O)NCC(=O)N1CCC(c2ccco2)CC1
365622984	ZINC000617376265	ref	2.4	-8.79	0	271.357	0.971	1	4	5	COC[C@@H](NC(=O)C1CCOCC1)C1CCOCC1
365622992	ZINC000617374157	ref	2.96	-18.17	0	299.415	0.47	1	4	7	CCOC1CCN(C(=O)CN(C)CC(=O)NC(C)C)CC1
365622999	ZINC000617374157	low	5.16	-48.55	1	299.415	0.47	2	3	7	CCOC1CCN(C(=O)C[N@H+](C)CC(=O)NC(C)C)CC1
365623005	ZINC000617374157	low	5.16	-48.51	1	299.415	0.47	2	3	7	CCOC1CCN(C(=O)C[N@@H+](C)CC(=O)NC(C)C)CC1
342082938	ZINC000625334729	mid	4.65	-30.27	1	253.39	1.071	2	2	5	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H]1CCCNC1=O
168365292	ZINC000368504564	mid	7.52	-35.63	1	326.234	3.083	1	2	4	Brc1ccccc1OCC[N@@H+]1CCC[C@]12CCOC2
178292473	ZINC000082786213	ref	5.72	-34.83	0	256.099	1.72	1	2	1	O=C([O-])[C@H]1[NH2+]CCc2c(Br)cccc21
178292474	ZINC000082786213	high	4.52	-44.71	-1	256.099	1.72	1	3	1	O=C([O-])[C@H]1NCCc2c(Br)cccc21
365623011	ZINC000617387431	ref	6.12	-16.4	0	280.368	0.738	0	3	3	CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
342082939	ZINC000625334729	high	1.23	-6.71	0	253.39	1.071	1	3	5	CCN1CCC[C@H]1CN(CC)[C@H]1CCCNC1=O
365623019	ZINC000617378301	ref	2.93	-8.31	0	257.33	0.913	1	4	7	COC[C@@H](NC(=O)CCC(C)=O)C1CCOCC1
168365293	ZINC000368504564	mid	7.35	-35.5	1	326.234	3.083	1	2	4	Brc1ccccc1OCC[N@H+]1CCC[C@]12CCOC2
365623028	ZINC000617376021	ref	4.86	-12.55	0	268.357	0.882	0	3	3	CCOC1CCN(C(=O)[C@H]2CCN(C)C(=O)C2)CC1
365623037	ZINC000617376446	ref	0.83	-9.73	0	272.345	0.069	2	4	6	COC[C@H](NC(=O)[C@H](C)NC(C)=O)C1CCOCC1
282120313	ZINC000533437036	ref	7.51	-43.9	1	289.379	1.887	3	2	6	CC[N@H+](CC(=O)NC(=O)NCc1ccccc1)C1CCC1
365623048	ZINC000617374603	ref	2.72	-15.17	0	267.329	0.441	1	5	6	COC[C@H](NC(=O)Cn1cccn1)C1CCOCC1
168365295	ZINC000368508745	ref	6.53	-7.21	0	326.263	3.333	1	4	4	Brc1cscc1CNCc1cnc2n1CCCC2
365623058	ZINC000617382780	ref	1.64	-22.58	0	286.353	0.535	1	4	4	CNS(=O)(=O)CC(=O)N1CCC(c2ccco2)CC1
365623071	ZINC000617373915	ref	2.92	-6.9	0	271.357	0.969	1	4	7	CCO[C@@H]1C[C@H]1C(=O)N[C@H](COC)C1CCOCC1
210256461	ZINC000428329140	ref	0.85	-13.22	0	336.388	0.709	3	5	6	COc1ccc(C(=O)NCC(=O)N[C@H]2C[C@H](O)C2(C)C)cc1OC
178292471	ZINC000237016831	ref	4.28	-67.4	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1
210256465	ZINC000428328513	ref	0.75	-19.76	0	349.497	0.129	1	5	8	CC(C)C[C@@H](CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)N1CCOCC1
168365294	ZINC000308605158	ref	3.4	-39.07	1	209.28	2.028	2	1	8	CCC(CC)C[NH2+][C@H](CO)CC(F)F
168365298	ZINC000367657727	ref	4.52	-41.18	1	249.354	2.507	2	2	5	CCC(CC)C[NH2+][C@H]1COc2ccccc2[C@@H]1O
168365300	ZINC000083363438	ref	8.27	-6.85	0	236.315	3.751	1	3	6	CCC(CC)CNc1c(C)cccc1[N+](=O)[O-]
168365302	ZINC000272528976	ref	6.55	-37.66	1	239.359	3.383	1	2	9	CCC(CC)C[NH2+][C@H](CCOC)c1ccco1
178292476	ZINC000237007313	ref	3.44	-56.56	1	364.465	1.073	2	3	7	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1
210256468	ZINC000428328513	low	2.9	-60.81	1	349.497	0.129	2	4	8	CC(C)C[C@@H](CNS(=O)(=O)[C@@H](C)C(=O)N(C)C)[NH+]1CCOCC1
178292479	ZINC000237007313	low	5.66	-119.31	2	364.465	1.073	3	2	7	CC[C@H](C)[C@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1
168365304	ZINC000037059718	ref	8.28	-6.74	0	236.315	3.751	1	3	6	CCC(CC)CNc1ccc(C)cc1[N+](=O)[O-]
178292480	ZINC000237007313	high	3.08	-19.9	0	364.465	1.073	2	4	7	CC[C@H](C)[C@H](N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1
398246599	ZINC000649444155	ref	8.06	-9.17	0	228.213	3.855	0	1	3	C=C(C)c1ccc(C(=O)CC(F)(F)F)cc1
168365307	ZINC000021014076	ref	6.85	-4.1	0	213.271	3.813	1	1	5	CCC(CC)CNc1ccc(F)c(F)c1
168365310	ZINC000336732199	ref	5.39	-50.56	1	222.332	2.874	2	1	6	CCC(CC)C[NH2+][C@H](C)c1cc[nH]c(=O)c1
342082940	ZINC000238062358	ref	6.37	-41.29	-1	255.314	1.435	0	4	7	C=CCCC(=O)N(CCC(=O)[O-])C1CCOCC1
214190211	ZINC000278495409	ref	6.55	-11.44	0	313.405	1.831	1	5	3	Cc1cccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)n1
210256478	ZINC000428326233	low	1.79	-19.94	0	349.4	0.673	2	4	6	CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)NCC(F)(F)F
210256483	ZINC000428369524	ref	2.11	-14.46	0	328.39	0.264	1	6	7	CCOC(=O)[C@H](Cc1ccccn1)NS(=O)(=O)[C@H]1CCOC1
168365315	ZINC000037060355	ref	7.64	-4.22	0	240.278	3.582	1	3	6	CCC(CC)CNc1cc([N+](=O)[O-])ccc1F
168365316	ZINC000037120387	ref	6.6	-8.36	0	248.37	3.802	2	2	6	CCC(CC)CNc1ccc(C)c(NC(C)=O)c1
168365320	ZINC000020148210	ref	7.65	-34.46	1	211.374	3.835	1	1	6	CCC(CC)C[NH2+][C@H](C)c1cccs1
398246603	ZINC000649444315	ref	5.24	-3.84	0	231.217	3.364	0	2	3	C=C(C)c1cnc(OCC(F)(F)F)c(C)c1
214190212	ZINC000053607828	ref	6.11	-12.11	0	340.427	2.467	0	5	5	CCc1ccc(C(=O)N2CCN(Cc3noc(C4CC4)n3)CC2)cc1
342598431	ZINC000590814137	ref	6.29	-9.07	0	289.722	1.803	0	4	3	O=C(C(=O)N1CC(n2cccn2)C1)c1ccc(Cl)cc1
342600601	ZINC000616999729	ref	6.35	-41.79	1	268.401	1.792	2	2	4	COC1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC1
214190215	ZINC000053605709	ref	4.39	-38.78	1	337.386	1.24	2	3	8	C[C@@H](C(=O)NC1CC1)N1CC[NH+](CCCOCC(F)(F)F)CC1
214190218	ZINC000053605709	mid	2.14	-10.41	0	337.386	1.24	1	4	8	C[C@@H](C(=O)NC1CC1)N1CCN(CCCOCC(F)(F)F)CC1
342600602	ZINC000616999729	mid	6.29	-41.43	1	268.401	1.792	2	2	4	COC1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCC1
214190223	ZINC000053600507	ref	7.77	-17.71	0	339.399	1.524	2	6	6	Cc1nc2ncnn2c(C)c1CCC(=O)NC[C@H](O)c1ccccc1
185090161	ZINC000096077948	ref	4.49	-25.84	0	292.31	0.773	1	3	2	O=C(CO)N1CC[C@@]2(CC(=O)N(c3cccc(F)c3)C2)C1
185090162	ZINC000096075930	ref	6.11	-42.9	1	250.367	2.058	1	2	2	CC[N@@H+]1CC[C@]12CCN(C(=O)c1ccsc1)C2
342600603	ZINC000590851659	ref	1.67	-19.74	0	286.295	1.864	2	6	4	Cc1noc(-c2ccc(NC(=O)N[C@@H](C)CC#N)cn2)n1
299072387	ZINC000459276457	ref	5.71	-11.54	0	304.381	2.613	2	2	4	CN(C[C@@H]1CCC[C@@H]1O)C(=O)NC1CCC(C(F)F)CC1
168365296	ZINC000368508745	mid	7.93	-43.01	1	326.263	3.333	1	3	4	Brc1cscc1C[NH2+]Cc1cnc2n1CCCC2
342600604	ZINC000616999949	ref	4.91	-37.96	1	291.395	1.946	3	3	3	Cc1cnc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(O)c1
290623059	ZINC000492523998	high	4.85	-60.46	-1	288.278	2.188	1	4	5	O=C(/C=C\c1cncc([O-])c1)NOCc1ccc(F)cc1
214190231	ZINC000053607563	ref	4.5	-12.36	0	328.416	2.717	1	5	7	CC(C)c1nc(CN(C)Cc2ccc(C(=O)NC3CC3)cc2)no1
342600605	ZINC000616999949	mid	4.85	-37.84	1	291.395	1.946	3	3	3	Cc1cnc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(O)c1
342600606	ZINC000616999949	mid	5.92	-66.0	0	291.395	1.946	2	3	3	Cc1cnc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([O-])c1
342600607	ZINC000616999949	mid	5.86	-65.32	0	291.395	1.946	2	3	3	Cc1cnc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c([O-])c1
342600608	ZINC000617000038	ref	5.03	-41.6	1	297.443	1.529	3	2	7	CNC(=O)CCCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
168365297	ZINC000368508745	low	8.39	-97.79	2	326.263	3.333	1	2	4	Brc1cscc1C[NH2+]Cc1c[nH+]c2n1CCCC2
342600609	ZINC000617000038	mid	5.03	-42.1	1	297.443	1.529	3	2	7	CNC(=O)CCCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
398246600	ZINC000394173021	ref	2.14	-8.4	0	212.293	0.917	2	3	6	CC[C@@H](C#N)C(=O)NC[C@H](CO)C(C)C
178292477	ZINC000082784256	ref	2.56	-12.79	0	275.301	1.428	1	4	4	CC[C@@H](C)OC(=O)c1ccc(F)c(S(N)(=O)=O)c1
342082941	ZINC000625335532	ref	3.39	-9.25	0	292.445	1.758	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCC[C@H](C)C1)OCC
214190213	ZINC000337635245	high	7.55	-2.68	0	261.409	3.496	0	2	5	COC1CCN(Cc2ccc(CC(C)C)cc2)CC1
342082942	ZINC000238064651	ref	3.9	-41.83	1	284.4	1.206	2	3	7	[NH3+]C[C@@H](NC(=O)COC[C@@H]1CCCO1)C1CCCCC1
214190216	ZINC000337636642	ref	4.34	-41.1	1	269.389	0.498	2	3	7	CC(=O)CCC(=O)N[C@H](C)CCN1CC[NH+](C)CC1
342082943	ZINC000625335698	ref	3.61	-7.7	0	280.434	1.614	1	3	10	CCC[C@@H](CNS(=O)(=O)N(C)CC(C)C)OCC
214190220	ZINC000337636642	mid	1.97	-8.18	0	269.389	0.498	1	4	7	CC(=O)CCC(=O)N[C@H](C)CCN1CCN(C)CC1
210256486	ZINC000428369524	mid	2.13	-47.95	-1	328.39	0.264	0	6	7	CCOC(=O)[C@H](Cc1ccccn1)[N-]S(=O)(=O)[C@H]1CCOC1
299072388	ZINC000358088919	ref	5.76	-16.73	0	318.381	1.824	1	6	5	CN(C(=O)CCc1nc(-c2nc[nH]n2)no1)[C@H]1CCC(C)(C)C1
342082944	ZINC000238051938	ref	3.79	-45.39	-1	294.27	1.975	1	6	3	O=C([O-])c1ccc(C(=O)Nc2ccc3nccnc3c2)nc1
214190224	ZINC000337635047	ref	-0.26	-17.81	0	293.314	0.957	3	3	6	CC(C)(CNC(=O)N[C@@H]1CCC[C@H]1OC(F)F)C(N)=O
346818935	ZINC000601318560	ref	7.19	-9.62	0	281.377	2.39	0	4	2	COC(=O)[C@@]1(C)CCN(C(=O)c2sc(C)cc2C)C1
343994420	ZINC000139306677	ref	5.87	-15.41	0	163.18	0.639	1	3	0	Cc1nc2[nH]ccn2c(=O)c1C
178292486	ZINC000082784237	ref	3.04	-11.19	0	271.338	1.598	1	4	4	CC[C@H](C)OC(=O)c1cc(S(N)(=O)=O)ccc1C
342082945	ZINC000625334765	ref	6.11	-39.33	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@H](C)C(C)C)C[C@@H]1CCC[N@@H+]1CC
210256496	ZINC000428371113	ref	-0.55	-13.66	0	325.333	0.998	2	5	8	COc1ccc(OC)c(S(=O)(=O)N[C@@H](CO)CC(F)F)c1
342082946	ZINC000625334765	mid	5.91	-36.22	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@H](C)C(C)C)C[C@@H]1CCC[N@H+]1CC
178292491	ZINC000082786006	ref	3.48	-7.93	0	268.748	2.083	3	4	3	CC1(NC(=O)c2cc(Cl)nc(NN)c2)CCCC1
342082947	ZINC000625334765	high	4.03	-5.92	0	283.46	1.953	1	3	8	CCN(CC(=O)N[C@H](C)C(C)C)C[C@@H]1CCCN1CC
342082948	ZINC000625335738	ref	1.41	-8.25	0	267.391	1.146	1	4	10	CCC[C@@H](CNS(=O)(=O)[C@@H](C)COC)OCC
342082949	ZINC000625335540	ref	2.42	-12.46	0	293.429	1.538	1	4	9	CCC[C@H](CNS(=O)(=O)CC1CCOCC1)OCC
214190234	ZINC000337634413	ref	6.7	-34.43	1	281.469	3.01	1	3	5	CCc1nc(CN(C)C2CC[NH+](C(C)C)CC2)cs1
282952224	ZINC000418273432	ref	3.52	-38.4	1	285.432	2.151	3	2	8	CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1CCCC[C@H]1OCC
349535824	ZINC000621245075	ref	4.37	-9.95	0	276.336	2.261	2	3	4	CC1CC(CNC(=O)NCc2ccc3c(c2)OCO3)C1
365622953	ZINC000625032524	ref	7.49	-18.57	0	315.373	2.312	1	5	6	COc1cccc2c1OCC[C@H]2NC(=O)CCCn1ccnc1
365622957	ZINC000625032524	low	8.0	-42.52	1	315.373	2.312	1	4	6	COc1cccc2c1OCC[C@H]2NC(=O)CCCn1cc[nH+]c1
214190217	ZINC000278494448	ref	5.6	-8.23	0	306.284	2.195	0	5	5	CC1(CCCCn2nc(C(F)(F)F)ccc2=O)OCCO1
365622970	ZINC000625031914	ref	7.13	-18.4	0	305.422	2.114	1	2	2	O=C1[C@H](NC(=O)N2CCC[C@H]3CCC[C@H]32)CCN1C1CCC1
365622975	ZINC000625035883	ref	3.42	-15.65	0	322.434	2.047	2	4	5	CC[C@H](NC(=O)N[C@H]1CCN(C2CCC2)C1=O)c1nccs1
349535830	ZINC000621244427	ref	6.13	-41.16	1	289.37	2.205	3	1	6	C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[C@@H]1CC1(F)F
365622986	ZINC000625032026	ref	5.22	-15.67	0	320.437	2.028	2	4	7	CCn1cc(C(=O)NCCNC(=O)CC2CCCCC2)c(C)n1
349535837	ZINC000621244427	mid	5.82	-41.76	1	289.37	2.205	3	1	6	C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[C@@H]1CC1(F)F
365622994	ZINC000625034284	ref	4.85	-18.4	0	315.364	2.017	2	2	3	O=C(NC1CCC(F)(F)CC1)N[C@H]1CCN(C2CCC2)C1=O
365623003	ZINC000625034932	ref	6.3	-9.73	0	303.468	2.499	0	3	8	CCO[C@H](CS(=O)(=O)N1CC[C@@H](CC(C)C)C1)C1CC1
197597241	ZINC000290107697	ref	5.6	-19.35	0	266.305	-0.132	3	5	4	CN(C)c1n[nH]c(NC(=O)C[C@H]2CCCC(=O)N2)n1
365623014	ZINC000625036956	ref	6.06	-18.48	0	307.438	2.265	2	2	4	C[C@@H]1CCC[C@H](CNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
342082950	ZINC000032616797	ref	7.26	-18.16	0	299.33	1.056	0	4	5	CN(Cc1ccc(C#N)cc1)C(=O)CCN1C(=O)CCC1=O
349535838	ZINC000621244427	high	3.63	-10.11	0	289.37	2.205	2	2	6	C[C@H]1CCCCN1CCNC(=O)NCC[C@@H]1CC1(F)F
349535845	ZINC000621245549	ref	4.96	-7.22	0	277.368	2.258	1	3	5	COc1nc(C)cc(C)c1CN(C)C(=O)NCC1CC1
365623024	ZINC000625033516	ref	7.04	-19.45	0	307.438	2.36	1	2	4	CC(C)C[C@H]1CCCN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
365623030	ZINC000625037401	ref	7.1	-18.88	0	307.438	2.217	1	2	4	CC(C)C[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365623038	ZINC000625034655	ref	2.81	-13.49	0	302.321	2.058	1	4	5	CC1(C)CN(CCNC(=O)c2coc(C(F)F)c2)CCO1
342082951	ZINC000625335672	ref	2.53	-12.2	0	293.429	1.68	1	4	10	CCC[C@H](CNS(=O)(=O)CC[C@@H]1CCCO1)OCC
342082952	ZINC000238049866	ref	9.46	-52.05	1	299.378	1.782	2	4	4	[NH3+][C@H]1CCC[C@H](C(=O)Nc2nncn2Cc2ccccc2)C1
398246601	ZINC000650862050	mid	7.28	-44.93	1	298.39	1.814	2	3	4	Cn1ccc(C(=O)N[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1
214190221	ZINC000293648695	mid	7.85	-46.53	1	355.442	0.879	2	4	2	C[C@@H]1NC(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)=NN(c2ccccc2)C1=O
178292484	ZINC000237012856	ref	5.12	-65.0	1	367.877	1.811	2	3	7	CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
349535828	ZINC000093299743	ref	1.24	-6.45	0	268.338	0.916	2	4	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@H]1O
178292487	ZINC000237008576	ref	2.36	-61.47	1	356.488	1.551	2	4	9	CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O
214190225	ZINC000293638885	ref	3.19	-22.25	0	368.455	0.654	2	5	7	CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)COc1ccccc1
349535832	ZINC000093299653	ref	2.21	-6.36	0	280.299	0.993	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@H]1O
282120315	ZINC000249201512	ref	6.11	-42.1	1	281.4	1.147	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H]3OCCC[C@@H]32)C1
282120329	ZINC000337891947	ref	5.87	-42.41	1	305.369	1.74	2	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1
178292490	ZINC000237008576	mid	2.05	-17.48	0	356.488	1.551	2	5	9	CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@@H](N)CCS(C)(=O)=O
214190227	ZINC000293646174	ref	3.77	-10.53	0	361.398	0.404	1	5	5	COCCN1CN(C(=O)C(=O)Nc2ccc([C@@H]3CCOC3)cc2)CC1=O
282120333	ZINC000419634260	ref	9.24	-43.87	1	326.444	2.529	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(C#N)ccc32)C1
214190229	ZINC000293648645	ref	6.38	-17.88	0	353.306	0.893	1	6	5	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)C1
365622960	ZINC000121928321	mid	7.51	-34.59	1	263.337	2.251	1	3	4	COC(=O)C[N@H+]1C[C@H](C)C[C@H]1c1ccc(OC)cc1
349535836	ZINC000093301293	ref	1.52	-8.29	0	267.285	0.151	2	5	1	Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)no1
343994421	ZINC000079943727	low	3.03	-18.19	0	296.286	2.398	2	5	3	Cc1cncc(C(=O)Nc2cccc(-c3nc(=O)o[nH]3)c2)c1
349535839	ZINC000093299986	ref	1.53	-9.31	0	292.335	0.863	2	4	2	COc1cccc(NC(=O)C(=O)N2CC[C@@H](C)[C@@H](O)C2)c1
214190235	ZINC000293636975	ref	5.42	-25.73	0	355.416	0.938	0	5	5	Cc1c(CC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cccc1[N+](=O)[O-]
398246602	ZINC000650862050	high	4.74	-10.76	0	298.39	1.814	1	4	4	Cn1ccc(C(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)n1
343994425	ZINC000079934079	ref	9.83	-15.76	0	298.39	2.01	0	4	4	CN(c1ccccc1)C1CCN(C(=O)Cn2ccnc2)CC1
365622965	ZINC000274321932	ref	1.86	-9.07	0	296.346	1.141	2	4	4	CC[C@H](O)CN1CCN(C(=O)Nc2cccc(F)n2)CC1
214190222	ZINC000278494983	ref	0.59	-18.17	0	321.377	1.053	3	4	6	O=C(NCCCCO)Nc1cccc(C(=O)N2CCOCC2)c1
185090164	ZINC000096075930	mid	6.19	-41.31	1	250.367	2.058	1	2	2	CC[N@H+]1CC[C@]12CCN(C(=O)c1ccsc1)C2
365622972	ZINC000274321932	mid	4.14	-46.2	1	296.346	1.141	3	3	4	CC[C@H](O)C[NH+]1CCN(C(=O)Nc2cccc(F)n2)CC1
365622978	ZINC000274320871	ref	5.78	-13.36	0	263.293	1.111	1	4	6	CCC(=O)CNC(=O)Cc1cccc(C(=O)OC)c1
185090165	ZINC000096075930	mid	3.07	-10.24	0	250.367	2.058	0	3	2	CCN1CC[C@]12CCN(C(=O)c1ccsc1)C2
365622988	ZINC000274321189	ref	4.85	-12.11	0	286.335	1.925	2	5	4	COc1cc2c(cc1NCc1cncn1C)NC(=O)CC2
365622998	ZINC000274321189	low	5.36	-39.71	1	286.335	1.925	2	4	4	COc1cc2c(cc1NCc1c[nH+]cn1C)NC(=O)CC2
365623004	ZINC000274319292	ref	4.31	-12.64	0	262.309	1.097	1	3	5	CCC(=O)CNC(=O)c1cccc(C(=O)N(C)C)c1
365623021	ZINC000274323549	ref	4.28	-46.86	1	263.345	1.474	3	3	4	O=C(NCC[NH+]1CCCCCC1)Nc1cncnc1
365623029	ZINC000274323549	high	2.28	-10.56	0	263.345	1.474	2	4	4	O=C(NCCN1CCCCCC1)Nc1cncnc1
299072389	ZINC000080009801	ref	6.02	-11.18	0	313.348	2.144	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)c1cc(F)ccc1F)C(=O)N(C)C
299072392	ZINC000357244695	ref	6.25	-8.7	0	268.401	2.632	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)[C@H]1CCCOC1
299072394	ZINC000455274505	ref	5.07	-17.31	0	348.415	2.836	1	3	5	C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)N[C@@H](C)C(C)(F)F
342600610	ZINC000616999495	ref	3.4	-38.28	1	254.374	1.138	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2(O)CCC2)C1
365623036	ZINC000274321793	ref	7.29	-19.96	0	290.298	1.129	1	4	2	CN1C[C@H](C(=O)Nc2nc3ccc(F)cc3n2C)CC1=O
365623045	ZINC000274319067	ref	2.22	-10.96	0	281.255	1.361	1	3	5	CCC(=O)CNS(=O)(=O)c1cc(F)c(F)cc1F
185090167	ZINC000096075938	ref	1.11	-7.35	0	265.313	0.611	0	5	4	COCCN1CC[C@]12CCN(C(=O)c1ccno1)C2
365623051	ZINC000274319067	mid	2.13	-39.84	-1	281.255	1.361	0	3	5	CCC(=O)C[N-]S(=O)(=O)c1cc(F)c(F)cc1F
342082953	ZINC000625335750	ref	2.0	-8.63	0	286.397	1.752	2	4	8	CCC[C@@H](CNS(=O)(=O)c1ccccc1N)OCC
365623061	ZINC000274321385	ref	7.24	-8.65	0	277.295	1.882	1	3	3	COC(=O)C1(C(=O)N[C@H]2CCc3c(F)cccc32)CC1
342082954	ZINC000625335533	ref	3.47	-7.04	0	292.445	1.758	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCC[C@H](C)C1)OCC
342082955	ZINC000625335657	ref	2.11	-12.24	0	281.418	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)[C@H](C)CCOC)OCC
178292492	ZINC000237004127	ref	2.63	-46.21	1	359.348	1.259	3	3	5	CCN(Cc1cccc(NC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c1)C(=O)C(F)(F)F
178292494	ZINC000237004127	high	1.42	-16.3	0	359.348	1.259	3	4	5	CCN(Cc1cccc(NC(=O)[C@@H]2C[C@H](O)CN2)c1)C(=O)C(F)(F)F
365622967	ZINC000121904230	ref	7.43	-8.61	0	254.399	2.327	1	2	6	C#CCN(C(=O)NCCCSC)C1CCCC1
365622981	ZINC000121843633	ref	3.46	-13.96	0	295.293	2.173	2	4	5	Cc1cccnc1CNC(=O)Nc1cnn(CC(F)F)c1
178292497	ZINC000237009628	ref	4.52	-44.81	1	352.236	1.678	2	4	6	CC[NH2+]CCNC(=O)c1nnn(-c2cccc(Br)c2)c1C
343994423	ZINC000139393415	ref	-0.04	-9.48	0	189.996	1.141	1	2	1	NC(=O)c1ccoc1Br
365622995	ZINC000121939037	ref	7.38	-4.28	0	269.385	2.219	0	4	6	CCOC(=O)CN(C)[C@H]1C[C@H](OCC)C12CCCC2
178292501	ZINC000237004792	ref	2.66	-44.41	1	359.348	1.259	3	3	5	CCN(Cc1cccc(NC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1)C(=O)C(F)(F)F
365623009	ZINC000121939037	mid	8.76	-33.57	1	269.385	2.219	1	3	6	CCOC(=O)C[N@@H+](C)[C@H]1C[C@H](OCC)C12CCCC2
342082956	ZINC000402865857	ref	7.75	-78.7	0	271.32	1.849	1	4	6	C[N@H+](CCc1cnccn1)Cc1ccc(C(=O)[O-])cc1
365623017	ZINC000121939037	mid	8.84	-31.53	1	269.385	2.219	1	3	6	CCOC(=O)C[N@H+](C)[C@H]1C[C@H](OCC)C12CCCC2
365623027	ZINC000121942377	ref	4.83	-10.6	0	282.137	2.204	1	2	2	O=C(NC1CC1)[C@@H]1COc2ccc(Br)cc21
365623043	ZINC000121843650	ref	2.11	-19.45	0	262.24	2.314	3	3	3	CC(=O)c1c[nH]c(C(=O)Nc2ccc(O)cc2F)c1
365623046	ZINC000121843650	high	2.87	-55.46	-1	262.24	2.314	2	3	3	CC(=O)c1c[nH]c(C(=O)Nc2ccc([O-])cc2F)c1
178292505	ZINC000237004792	high	1.31	-12.78	0	359.348	1.259	3	4	5	CCN(Cc1cccc(NC(=O)[C@H]2C[C@@H](O)CN2)c1)C(=O)C(F)(F)F
178292508	ZINC000237013845	ref	10.87	-58.41	-1	359.426	1.926	0	6	6	CCCn1c(=O)n(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc21
365623056	ZINC000121930532	ref	5.15	-15.65	0	260.341	2.133	1	4	4	CC(C)C[C@H](C)NC(=O)c1ccc2c(c1)nnn2C
178292513	ZINC000237009371	ref	7.83	-85.27	2	360.502	1.844	3	3	7	CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)c(C)c2)CC1
365623082	ZINC000121935433	ref	6.36	-42.11	1	284.444	2.286	2	2	6	COCC(C)(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1
365623098	ZINC000121963721	ref	5.88	-8.3	0	276.723	2.132	1	2	2	C=C(Cl)CN1C(=O)N[C@]2(CCc3ccccc32)C1=O
365623115	ZINC000121864665	ref	3.72	-6.96	0	275.135	2.249	0	3	2	CN(C(=O)c1cc(Cl)ncc1Cl)[C@@H]1CCOC1
365623143	ZINC000121897386	ref	6.92	-14.39	0	287.294	2.301	0	4	4	COc1cccnc1N(C)C(=O)/C=C/c1cncc(F)c1
210256502	ZINC000428368265	ref	5.07	-10.85	0	329.422	0.732	1	5	9	CCCN(C)S(=O)(=O)N[C@H](Cc1ccccn1)C(=O)OCC
210256473	ZINC000428326233	ref	1.22	-45.52	-1	349.4	0.673	1	4	6	CC[C@@H](C)NC(=O)[C@H]1CSCN1S(=O)(=O)[N-]CC(F)(F)F
210256394	ZINC000265953615	ref	3.04	-11.03	0	354.476	0.83	3	6	7	CS[C@@H](CO)[C@H](C)NC(=O)NCc1cccnc1N1CCOCC1
210256395	ZINC000265953615	low	3.31	-39.63	1	354.476	0.83	3	5	7	CS[C@@H](CO)[C@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1
210256388	ZINC000265955337	ref	0.2	-17.6	0	372.443	0.658	2	6	8	COc1ccc(S(N)(=O)=O)cc1C(=O)NCCCOC1CCOCC1
210256056	ZINC000019524036	ref	10.94	-35.61	1	385.512	3.347	1	5	6	CCn1ncc(-c2cc(C(=O)N3CCCC[C@H]3CC[NH+]3CCCC3)no2)c1C
210256062	ZINC000019522520	ref	4.73	-15.36	0	377.466	1.909	1	5	5	CCc1cc(=O)[nH]c([C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)n1
210256068	ZINC000019522520	high	3.62	-48.62	-1	377.466	1.909	0	5	5	CCc1cc(=O)[n-]c([C@@H]2CCCN(S(=O)(=O)c3ccc(OC)cc3)C2)n1
398246604	ZINC000649444299	ref	8.06	-34.4	1	205.301	2.66	1	1	5	C=C(C)c1cccc(OCC[NH+](C)C)c1
197597255	ZINC000290107990	ref	9.13	-15.26	0	288.351	1.979	0	6	3	Cc1ccc(N(C)c2nnc([C@H]3COCCO3)n2C)cc1
197597256	ZINC000290107993	ref	9.13	-15.3	0	288.351	1.979	0	6	3	Cc1ccc(N(C)c2nnc([C@@H]3COCCO3)n2C)cc1
342082957	ZINC000402865857	mid	7.75	-78.61	0	271.32	1.849	1	4	6	C[N@@H+](CCc1cnccn1)Cc1ccc(C(=O)[O-])cc1
133427903	ZINC000306451830	ref	1.42	-7.83	0	165.196	0.714	2	2	3	C=C[C@H](C)NC(=O)c1ccn[nH]1
342082958	ZINC000402865857	high	5.41	-52.18	-1	271.32	1.849	0	5	6	CN(CCc1cnccn1)Cc1ccc(C(=O)[O-])cc1
342082959	ZINC000402861048	ref	7.42	-13.4	0	263.337	1.61	0	3	2	COC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1
342082960	ZINC000238041110	ref	5.43	-43.33	-1	298.298	1.513	1	5	3	O=C([O-])c1ccc(C(=O)N[C@H]2COc3ccccc3C2)nc1
342082961	ZINC000238041458	ref	2.26	-7.88	0	287.285	1.635	2	3	3	Nc1ccccc1C(=O)N[C@@H]1CCN(CC(F)(F)F)C1
342082962	ZINC000625335829	ref	3.69	-10.22	0	286.278	1.876	1	3	3	CC[C@@H]1C(=O)NCCN1C(=O)c1oc(C(F)F)cc1C
342082963	ZINC000238047283	ref	5.59	-41.65	-1	292.241	1.988	1	4	4	O=C([O-])c1ccc(C(=O)NCc2cc(F)cc(F)c2)nc1
342082964	ZINC000625335831	ref	4.14	-11.07	0	286.278	1.876	1	3	3	CC[C@H]1C(=O)NCCN1C(=O)c1oc(C(F)F)cc1C
342082965	ZINC000625335535	ref	1.7	-11.35	0	261.343	1.763	1	4	8	CCC[C@H](CNS(=O)(=O)c1ccco1)OCC
342082966	ZINC000625335535	high	1.32	-46.14	-1	261.343	1.763	0	4	8	CCC[C@H](C[N-]S(=O)(=O)c1ccco1)OCC
342082967	ZINC000608889026	ref	5.29	-20.73	0	288.351	1.824	3	4	4	CCNC(=O)NC(=O)[C@H](C)Nc1cccc2c1ccn2C
342082968	ZINC000608889232	ref	4.44	-21.39	0	274.324	1.434	3	4	3	CNC(=O)NC(=O)[C@H](C)Nc1cccc2c1ccn2C
342082969	ZINC000238054285	ref	5.39	-39.37	1	282.347	1.707	1	3	3	[NH3+]C[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)nc1
342082970	ZINC000625335530	ref	3.52	-10.04	0	292.445	1.758	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)OCC
342082971	ZINC000625334799	ref	5.19	-12.31	0	294.317	1.698	0	3	5	CCCN(CC(F)(F)F)C(=O)CN1CCC(=O)[C@H](C)C1
342082972	ZINC000238043625	ref	2.26	-8.52	0	287.285	1.635	2	3	3	Nc1ccccc1C(=O)N[C@H]1CCN(CC(F)(F)F)C1
342082973	ZINC000238052964	ref	5.01	-57.57	1	282.347	1.611	2	3	5	[NH3+][C@@H](CNC(=O)c1cnc(-c2ccccc2)nc1)C1CC1
214190228	ZINC000278495328	ref	5.06	-26.14	0	305.313	1.129	3	4	7	NC(=O)CCCC(=O)Nc1n[nH]c(Cc2cccc(F)c2)n1
214190233	ZINC000278495244	ref	9.67	-11.72	0	301.415	3.234	1	4	3	CC1(C)CCc2nc(NC(=O)Cc3cccs3)ncc2C1
342082974	ZINC000619472935	ref	5.03	-13.21	0	252.339	1.782	0	3	4	CC(C)N(C)S(=O)(=O)c1cccc(CC#N)c1
342082975	ZINC000032615914	ref	6.51	-12.14	0	287.363	1.679	1	3	4	CN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)C(C)(C)C
342082976	ZINC000625334724	ref	3.54	-28.0	1	253.39	1.071	2	2	5	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCCNC1=O
214190241	ZINC000278494542	ref	9.7	-44.06	1	322.815	3.436	1	3	5	Cc1nc2n(n1)CCC[C@@H]2[NH2+]CCCc1c(F)cccc1Cl
214190245	ZINC000278494542	high	8.15	-9.06	0	322.815	3.436	1	4	5	Cc1nc2n(n1)CCC[C@@H]2NCCCc1c(F)cccc1Cl
398246605	ZINC000649444299	high	5.51	-4.32	0	205.301	2.66	0	2	5	C=C(C)c1cccc(OCCN(C)C)c1
342082977	ZINC000625334724	mid	4.69	-32.43	1	253.39	1.071	2	2	5	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H]1CCCNC1=O
398246608	ZINC000649444324	ref	1.69	-7.13	0	218.142	0.619	1	5	1	Cn1nnnc1-c1cc(C(F)(F)F)[nH]n1
342082978	ZINC000625334724	high	1.26	-5.75	0	253.39	1.071	1	3	5	CCN1CCC[C@H]1CN(CC)[C@@H]1CCCNC1=O
342082979	ZINC000402863650	ref	4.24	-8.59	0	269.41	1.817	2	3	5	CS[C@@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
178305167	ZINC000237281670	ref	3.98	-54.57	1	359.43	1.497	2	6	5	COc1ccc(CN(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1O
342082980	ZINC000625334592	ref	1.7	-14.89	0	295.389	1.328	0	6	2	O=S1(=O)CCN(Cc2cnns2)Cc2ccccc21
214190236	ZINC000053608435	ref	1.48	-9.85	0	344.419	1.914	0	8	6	C[C@H]1CN(Cc2noc(C3CC3)n2)CCN1Cc1noc(C2CC2)n1
214190243	ZINC000053603494	ref	5.96	-10.3	0	340.452	3.936	0	6	4	c1ccc2sc(C3CCN(Cc4noc(C5CC5)n4)CC3)nc2c1
214190246	ZINC000053603494	low	8.42	-39.76	1	340.452	3.936	1	5	4	c1ccc2sc(C3CC[NH+](Cc4noc(C5CC5)n4)CC3)nc2c1
214190252	ZINC000053601852	ref	7.87	-9.39	0	339.464	4.154	2	5	4	Cc1nc(NCc2ccc([C@@H](C)O)cc2)c2c3c(sc2n1)CCC3
214190255	ZINC000053603517	ref	6.41	-16.2	0	327.375	2.582	2	2	4	C[C@H](NC(=O)N(C)CC(=O)NC(C)(C)C)c1ccc(F)c(F)c1
214190261	ZINC000053595005	ref	5.75	-19.31	0	330.388	0.902	0	6	2	Cc1nn(CC(=O)N2CCO[C@H]3CCCC[C@@H]32)c(=O)c(C#N)c1C
197597254	ZINC000162877624	ref	4.27	-44.33	1	314.389	1.837	2	4	5	C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1nc(Cc2ccccc2)no1
342598432	ZINC000590815886	ref	7.38	-19.26	0	293.367	1.242	0	5	5	O=C(COC[C@@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
306234505	ZINC000557851316	ref	4.33	-14.4	0	326.4	1.594	1	5	5	Cc1nccnc1CCNC(=O)c1ccccc1N1CCOCC1
306234506	ZINC000557843608	ref	4.81	-13.99	0	335.433	1.311	1	6	6	CN(C)c1ccc(S(=O)(=O)N[C@@H](c2nccn2C)C2CC2)cn1
342598433	ZINC000590815886	low	8.09	-41.5	1	293.367	1.242	0	4	5	O=C(COC[C@@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342598434	ZINC000590816685	ref	4.37	-13.99	0	297.428	1.536	2	5	5	CSCC1CCC(NC(=O)NCc2cn(C)nn2)CC1
342598435	ZINC000590816100	ref	7.96	-42.17	1	262.357	1.141	1	3	2	C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2)C1
342598436	ZINC000590816100	mid	7.79	-43.68	1	262.357	1.141	1	3	2	C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2)C1
342598437	ZINC000590816100	low	8.67	-78.13	2	262.357	1.141	1	2	2	C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1
214190266	ZINC000053601330	ref	5.47	-45.72	1	336.436	0.698	3	3	6	CCC[NH+]1CCC(NC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1
398246606	ZINC000650864665	ref	5.67	-8.42	0	254.374	1.796	1	2	4	CCC[C@@H](NC(=O)[C@H]1CCN(C)C1=O)C(C)(C)C
342598438	ZINC000590816100	low	8.5	-79.49	2	262.357	1.141	1	2	2	C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342598439	ZINC000590816100	high	5.73	-13.87	0	262.357	1.141	0	4	2	CN1CCC[C@H]1C(=O)N1CCC[C@H](n2ccnc2)C1
342598440	ZINC000590816257	ref	7.83	-18.22	0	290.367	1.059	0	4	3	O=C1CCCCN1CC(=O)N1CCC[C@@H](n2ccnc2)C1
398249540	ZINC000369100000	low	-0.55	-55.23	1	236.293	-1.171	2	4	4	CCS(=O)(=O)N[C@@H]1C[NH2+][C@@H](C(=O)OC)C1
178292503	ZINC000049814697	ref	7.56	-4.53	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@@H](C)C[C@@H](C)C2
136228566	ZINC000283278492	mid	3.83	-38.35	1	205.261	0.94	1	3	5	C#CC[N@@H+](CC)Cc1ccc(OC)nn1
398246607	ZINC000076769123	ref	6.85	-37.3	1	241.404	2.479	1	3	5	CSC[C@@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1
398246611	ZINC000076769123	high	5.79	-6.34	0	241.404	2.479	1	4	5	CSC[C@@H](C)NCc1cnn(C(C)(C)C)c1
398246614	ZINC000076766221	ref	5.02	-6.44	0	225.263	2.499	1	2	5	CCOCCC(=O)Nc1ccc(C)cc1F
178292514	ZINC000012408378	ref	5.9	-7.06	0	249.726	3.51	0	4	0	Cc1cc2c(nc1C)sc1c(Cl)ncnc12
398246621	ZINC000394170688	ref	4.87	-7.7	0	249.354	2.298	2	2	5	Cc1ccc(C(=O)NC[C@H](CO)C(C)C)c(C)c1
214190237	ZINC000293635475	ref	4.75	-15.52	0	367.413	0.997	2	7	6	Cc1ccnn1-c1ccccc1NC(=O)C(=O)NCCCc1cnn(C)n1
214190242	ZINC000293642611	ref	2.64	-11.03	0	364.398	0.931	2	6	4	COCc1cc(NC(=O)C(=O)N2CCC[C@](C)(O)C2)cc(C(=O)OC)c1
398246626	ZINC000076766679	ref	6.87	-7.03	0	245.297	3.506	1	2	4	Cc1ccc(CNC2(c3ccccc3F)CC2)o1
178292526	ZINC000013674878	ref	4.7	-15.49	0	229.247	0.44	1	7	1	Cc1cc2c(nc(-n3nccn3)n2C)c(N)n1
398246630	ZINC000076766679	low	8.08	-35.09	1	245.297	3.506	1	1	4	Cc1ccc(C[NH2+]C2(c3ccccc3F)CC2)o1
398246633	ZINC000306199929	ref	2.79	-35.72	1	201.335	1.241	2	2	1	C[NH2+][C@@H]1CS[C@@H]2CCCC[C@H](O)[C@@H]12
136228567	ZINC000283278492	mid	3.58	-40.88	1	205.261	0.94	1	3	5	C#CC[N@H+](CC)Cc1ccc(OC)nn1
398246638	ZINC000097153107	ref	4.67	-7.11	0	237.347	1.464	1	3	4	Cn1cc(CCC[N@@H+]2CCOC(C)(C)C2)cn1
178292535	ZINC000075422977	ref	-1.31	-10.49	0	212.278	0.001	4	5	2	Cc1cc2c(s1)N[C@H](CNN)NC2=O
178292537	ZINC000217646911	ref	3.43	-7.61	0	202.2	2.449	1	2	1	Cc1cc2c(o1)C[C@@H](C(F)F)C[C@H]2O
178292541	ZINC000037118559	ref	8.47	-34.75	1	247.382	3.99	1	1	3	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H](C)C1CC1
214190520	ZINC000337636085	ref	5.31	-6.8	0	284.306	3.284	2	2	3	COc1c(F)cc(F)cc1NC(=O)N[C@@H]1CCC[C@H]1C
398246642	ZINC000097153107	mid	6.61	-40.75	1	237.347	1.464	1	3	4	Cn1cc(CCC[N@H+]2CCOC(C)(C)C2)cn1
398246645	ZINC000097153107	mid	4.67	-7.11	0	237.347	1.464	0	4	4	Cn1cc(CCCN2CCOC(C)(C)C2)cn1
178292548	ZINC000052009049	ref	6.51	-11.52	0	247.338	2.792	1	3	1	Cc1cc2c(n1[C@H]1CCCC[C@H]1O)CCCC2=O
398246648	ZINC000076769131	ref	7.51	-39.17	1	249.379	2.804	1	2	5	CSC[C@H](C)[NH2+]CC1=Cc2ccccc2OC1
136228568	ZINC000191586352	ref	3.48	-11.23	0	230.308	0.394	1	3	6	CCO[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)CC
214190238	ZINC000337636745	ref	4.98	-17.47	0	252.295	2.37	1	5	4	Cc1noc(NC(=O)COc2ccsc2)c1C
214190240	ZINC000337636745	high	3.27	-44.78	-1	252.295	2.37	0	5	4	Cc1noc([N-]C(=O)COc2ccsc2)c1C
197597262	ZINC000290103864	ref	7.03	-38.87	1	265.397	3.238	1	2	9	COCC(C)(C)CCC[NH2+]Cc1ccccc1OC
185090168	ZINC000096075938	mid	4.02	-38.89	1	265.313	0.611	1	4	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)c1ccno1)C2
365622989	ZINC000172821481	low	6.23	-83.45	2	262.357	1.086	1	3	3	Cc1nc(N2CC[NH+](C[C@H]3CCCO3)CC2)cc[nH+]1
365622993	ZINC000172826546	ref	4.55	-6.82	0	256.371	1.925	1	5	6	CCOC(=O)C(C)(C)NCCc1scnc1C
342082981	ZINC000625335615	ref	4.03	-33.18	1	257.374	1.273	2	3	7	CCO[C@H](C[N@@H+]1CCOC[C@@H]1C[C@@H](C)O)C1CC1
282120318	ZINC000533437036	mid	7.64	-45.15	1	289.379	1.887	3	2	6	CC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)C1CCC1
214190244	ZINC000337634491	ref	0.21	-17.24	0	289.376	-0.201	3	4	8	CN(CCOCCO)C(=O)NCCNC(=O)C(C)(C)C
282120322	ZINC000533437036	high	5.55	-15.9	0	289.379	1.887	2	3	6	CCN(CC(=O)NC(=O)NCc1ccccc1)C1CCC1
365623000	ZINC000172826546	low	5.75	-45.13	1	256.371	1.925	1	4	6	CCOC(=O)C(C)(C)[NH2+]CCc1scnc1C
365623007	ZINC000172821397	ref	2.58	-10.93	0	275.308	1.616	2	4	6	COc1cccc(O[C@@H](C)CNC(=O)c2ccn[nH]2)c1
365623015	ZINC000643089605	ref	-0.22	-53.31	1	289.426	1.166	2	4	4	Cc1nc(S(=O)(=O)N[C@H]2CC[C@@H](C[NH3+])C2)sc1C
299072390	ZINC000459278328	ref	7.53	-9.76	0	323.824	2.663	1	2	3	CCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@@H](C)C1=O
282120323	ZINC000533443610	ref	5.84	-17.9	0	284.425	1.504	1	3	4	CCC(=O)N1CC[C@H](C(=O)NCC2CCSCC2)C1
342082982	ZINC000625335615	mid	4.23	-34.31	1	257.374	1.273	2	3	7	CCO[C@H](C[N@H+]1CCOC[C@@H]1C[C@@H](C)O)C1CC1
342082983	ZINC000625335615	mid	4.05	-2.18	0	257.374	1.273	1	4	7	CCO[C@H](CN1CCOC[C@@H]1C[C@@H](C)O)C1CC1
342082984	ZINC000625334771	ref	6.86	-32.37	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@H](C)C(C)C)C[C@H]1CCC[N@@H+]1CC
342082985	ZINC000625334771	mid	5.71	-38.35	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@H](C)C(C)C)C[C@H]1CCC[N@H+]1CC
342082986	ZINC000625334771	high	5.17	-6.4	0	283.46	1.953	1	3	8	CCN(CC(=O)N[C@H](C)C(C)C)C[C@H]1CCCN1CC
342082987	ZINC000625335673	ref	2.61	-9.89	0	293.429	1.68	1	4	10	CCC[C@@H](CNS(=O)(=O)CC[C@@H]1CCCO1)OCC
342082988	ZINC000625334769	ref	6.41	-39.38	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1CCC[N@@H+]1CC
342082989	ZINC000625334769	mid	6.21	-36.45	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1CCC[N@H+]1CC
342598441	ZINC000590816257	low	8.54	-41.79	1	290.367	1.059	0	3	3	O=C1CCCCN1CC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
197597281	ZINC000162867293	ref	7.05	-12.96	0	309.409	3.345	2	2	5	C[C@@H](CCC(=O)N[C@H]1c2ccccc2C[C@@H]1O)c1ccccc1
342598442	ZINC000590815262	ref	3.71	-11.16	0	296.298	1.599	2	4	2	COC(=O)c1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)c(F)c1
365623001	ZINC000336542951	ref	6.04	-12.03	0	287.367	2.132	2	4	3	Cc1cc[nH]c1C(=O)N[C@H](C)c1nnc2n1CCCCC2
365623010	ZINC000336542735	ref	6.45	-9.04	0	259.353	2.474	1	2	2	Cc1cnccc1CNC(=O)N1CC[C@@H]2CCC[C@@H]21
342598443	ZINC000590816097	ref	7.79	-45.16	1	262.357	1.141	1	3	2	C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
214190247	ZINC000293636141	ref	3.11	-46.58	1	354.472	0.926	2	4	5	Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C
214190250	ZINC000293636141	mid	3.33	-45.64	1	354.472	0.926	2	4	5	Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H]([N@@H+](C)CCO)[C@H]1C
342598444	ZINC000590816097	mid	8.12	-42.2	1	262.357	1.141	1	3	2	C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
342598445	ZINC000590816097	low	8.51	-80.86	2	262.357	1.141	1	2	2	C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
342598446	ZINC000590816097	low	8.82	-78.34	2	262.357	1.141	1	2	2	C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
342598447	ZINC000590816097	high	5.33	-11.34	0	262.357	1.141	0	4	2	CN1CCC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
342598448	ZINC000616984925	ref	6.62	-11.74	0	265.357	1.867	0	4	5	CC[C@H](C)N(CC)C(=O)C(=O)c1c(C)nn(C)c1C
342598449	ZINC000616985151	ref	4.56	-14.43	0	289.335	1.477	2	3	4	CC[C@@H](C)N(CC)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
342598450	ZINC000590815062	ref	5.35	-14.02	0	271.324	1.041	0	5	3	CN(C)c1cc(C(=O)N2CC(n3cccn3)C2)ccn1
365623016	ZINC000336543038	ref	7.73	-7.52	0	250.342	2.38	0	2	2	C[C@H]1C(=O)N([C@H]2CCC(C)(C)C2)C(=O)N1C1CC1
342598451	ZINC000590814918	ref	6.64	-14.64	0	253.342	1.583	0	3	5	O=C(COC[C@H]1CCCO1)N1CCC[C@H]1C1CC1
342598452	ZINC000590814915	ref	6.48	-15.61	0	253.342	1.583	0	3	5	O=C(COC[C@H]1CCCO1)N1CCC[C@@H]1C1CC1
365623023	ZINC000336543149	ref	7.05	-48.53	1	280.371	2.456	2	1	3	O=C(NCc1cccc2ccccc12)[C@H]1C[C@@]12CC[NH2+]C2
342598453	ZINC000364850117	ref	5.16	-50.91	1	296.374	1.667	2	4	5	Cn1cc([C@@H](CO)[NH2+]C2CC(C#N)(c3ccccc3)C2)cn1
342598454	ZINC000364850117	mid	4.24	-11.08	0	296.374	1.667	2	5	5	Cn1cc([C@@H](CO)NC2CC(C#N)(c3ccccc3)C2)cn1
178292516	ZINC000237009371	high	4.14	-11.25	0	360.502	1.844	2	5	7	CCN1CCN(c2ccc(NC(=O)CNC[C@H]3CCCO3)c(C)c2)CC1
178292520	ZINC000237005249	ref	7.14	-54.43	-1	363.151	1.649	1	4	6	CC[C@H](NC(=O)COc1ccc(I)cc1)C(=O)[O-]
199273182	ZINC000181261062	ref	-0.28	-14.58	0	317.411	0.166	2	5	7	CC[C@@H](CCO)NS(=O)(=O)c1cc(C(=O)N(C)C)n(C)c1
199273184	ZINC000181263284	ref	7.36	-16.77	0	304.365	2.183	1	2	4	Cc1cc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc(C)c1F
178292524	ZINC000237014926	ref	4.15	-52.15	1	353.488	1.528	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C[NH3+])C2)c1
178292528	ZINC000237004777	ref	3.15	-56.54	1	368.503	1.697	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)C2CC[NH2+]CC2)c1
178292529	ZINC000237012703	ref	10.82	-52.83	-1	359.426	1.926	0	6	6	CCCn1c(=O)n(CCC(=O)N2CCC(C(=O)[O-])CC2)c2ccccc21
178292532	ZINC000237009145	ref	7.79	-53.9	1	368.359	1.899	2	4	6	CC[NH2+]CCNC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O
178292534	ZINC000237006877	ref	4.86	-50.55	1	360.502	1.76	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
178292536	ZINC000237006877	high	4.61	-13.2	0	360.502	1.76	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
178292538	ZINC000237004820	ref	2.63	-43.1	1	359.348	1.259	3	3	5	CCN(Cc1cccc(NC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1)C(=O)C(F)(F)F
178292539	ZINC000237004820	high	1.24	-11.12	0	359.348	1.259	3	4	5	CCN(Cc1cccc(NC(=O)[C@H]2C[C@H](O)CN2)c1)C(=O)C(F)(F)F
178292540	ZINC000237003890	ref	2.89	-58.94	1	353.488	1.574	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1
178305169	ZINC000010382435	ref	9.99	-8.15	0	216.328	3.699	0	2	3	Cc1cc2ncn(CCC(C)C)c2cc1C
168365299	ZINC000368505553	ref	9.54	-51.1	1	345.418	3.056	1	3	4	CC(=O)N1CC[C@H]([NH2+]CCc2c(C)noc2C)c2ccc(F)cc2C1
168365301	ZINC000368505553	high	8.64	-11.38	0	345.418	3.056	1	4	4	CC(=O)N1CC[C@H](NCCc2c(C)noc2C)c2ccc(F)cc2C1
168365303	ZINC000368503412	ref	8.47	-41.24	1	340.508	3.261	2	3	6	CC(C)(C)OC(=O)N1CCC[C@@H]1C1CC[NH+](CCCCCO)CC1
168365585	ZINC000054161302	ref	-0.27	-40.32	1	197.238	0.811	1	4	3	C[C@@H]([NH3+])Cc1noc([C@@H]2CCCO2)n1
365623002	ZINC000641590344	ref	2.71	-9.64	0	252.339	1.473	1	4	2	CC(C)c1nc(C(=O)N2C[C@@H]3C[C@]3(O)C2)cs1
365623013	ZINC000641590680	ref	3.51	-14.87	0	272.279	1.581	1	3	1	O=C(c1c(F)ccc2ccncc12)N1C[C@H]2C[C@@]2(O)C1
365623020	ZINC000623052091	ref	1.55	-14.79	0	300.38	1.654	2	4	7	Cc1cc(NS(=O)(=O)CCOCC2CCC2)c[nH]c1=O
365623031	ZINC000623053246	ref	3.75	-47.93	1	322.34	1.431	2	4	3	O=C(N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1nnc(-c2c(F)cccc2F)s1
282120321	ZINC000248951981	ref	1.6	-9.21	0	315.797	1.939	1	5	5	COc1cc(CN2C[C@H](C)O[C@H](CO)C2)cc(Cl)c1OC
342598455	ZINC000616985162	ref	3.88	-12.59	0	298.408	1.855	1	3	6	CC[C@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)NC)cc1
342598456	ZINC000616985152	ref	4.72	-14.42	0	289.335	1.477	2	3	4	CC[C@H](C)N(CC)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
342598457	ZINC000590815888	ref	7.32	-19.39	0	293.367	1.242	0	5	5	O=C(COC[C@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
342598458	ZINC000590815888	low	8.03	-41.92	1	293.367	1.242	0	4	5	O=C(COC[C@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342598459	ZINC000616984924	ref	6.66	-11.17	0	265.357	1.867	0	4	5	CC[C@@H](C)N(CC)C(=O)C(=O)c1c(C)nn(C)c1C
342598460	ZINC000590814955	ref	5.47	-9.64	0	276.336	1.719	1	3	4	Cc1occc1C(=O)NCC(=O)N1CCC[C@H]1C1CC1
342598461	ZINC000616985007	ref	4.96	-15.8	0	278.352	1.811	1	3	7	CC[C@@H](C)N(CC)C(=O)c1ccc(OCC(N)=O)cc1
365623044	ZINC000623052896	ref	1.9	-50.48	-1	313.361	1.595	3	3	2	Cc1nc(-c2ccc(NC(=O)N3CC[NH2+]CC3)cc2)cc(=O)[nH]1
299072391	ZINC000358088509	ref	7.03	-43.61	1	310.446	1.561	3	4	6	CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1ncnn1C(C)(C)C
306234507	ZINC000557843608	low	5.79	-36.17	1	335.433	1.311	1	5	6	CN(C)c1ccc(S(=O)(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)cn1
365623052	ZINC000623052896	mid	3.0	-16.48	0	313.361	1.595	3	4	2	Cc1nc(-c2ccc(NC(=O)N3CCNCC3)cc2)cc(=O)[nH]1
365623066	ZINC000623052896	high	1.9	-50.48	-1	313.361	1.595	2	4	2	Cc1nc(-c2ccc(NC(=O)N3CCNCC3)cc2)cc(=O)[n-]1
365623075	ZINC000623052540	ref	5.55	-13.34	0	309.454	1.624	1	3	5	CC1CCC(NC(=O)[C@@H](C)N(C)CC(=O)N2CCCC2)CC1
282120324	ZINC000248952040	ref	2.56	-38.28	1	302.484	1.333	2	4	7	CCS[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1
342598462	ZINC000616984669	ref	6.05	-14.53	0	254.33	1.172	0	3	6	CC[C@@H](C)N(CC)C(=O)CCN1C(=O)CCC1=O
342598463	ZINC000590815047	ref	4.9	-9.51	0	273.336	1.212	1	3	4	O=C(NCC(=O)N1CCC[C@H]1C1CC1)c1ccncc1
342598464	ZINC000590815046	ref	4.74	-10.23	0	273.336	1.212	1	3	4	O=C(NCC(=O)N1CCC[C@@H]1C1CC1)c1ccncc1
282123568	ZINC000533474251	ref	4.5	-7.46	0	277.368	1.833	1	4	3	CC(C)c1ncncc1C(=O)N1CCC[C@H]([C@@H](C)O)C1
178292542	ZINC000237017175	ref	6.25	-54.1	1	356.47	1.755	2	2	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
178292543	ZINC000237017175	high	5.92	-15.11	0	356.47	1.755	2	3	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
178292546	ZINC000237011519	ref	8.73	-55.16	1	360.458	1.297	1	5	4	CCOC(=O)c1ccc(N2CCCN(C(=O)C3CC[NH2+]CC3)CC2)nc1
178292547	ZINC000237015619	ref	5.14	-57.24	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1
214190248	ZINC000278494480	ref	3.19	-47.94	1	309.406	2.115	2	4	9	CCCOc1cc(C[NH2+][C@]2(CCO)CCOC2)ccc1OC
214190251	ZINC000278494480	high	2.29	-8.38	0	309.406	2.115	2	5	9	CCCOc1cc(CN[C@]2(CCO)CCOC2)ccc1OC
214190256	ZINC000278494486	ref	8.46	-14.38	0	300.362	2.122	1	5	6	COc1ccccc1CCC(=O)Nc1cc(N(C)C)ncn1
214190259	ZINC000278495997	ref	6.17	-41.2	1	310.825	3.072	2	2	5	C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCOC[C@@H]1C
214190263	ZINC000278495420	ref	5.3	-11.14	0	317.476	3.254	0	4	7	COCCCS(=O)(=O)N(c1ccsc1)C1CCCCC1
307041459	ZINC000364127218	ref	5.69	-12.13	0	324.469	1.274	2	3	4	CC(C)[C@H](C)CNC(=O)N1CCN([C@@H]2CCCCNC2=O)CC1
219048615	ZINC000286550822	ref	5.26	-11.45	0	307.419	2.548	1	4	6	CCC[C@H](NS(=O)(=O)c1cn(C)nc1C)c1ccccc1
219048617	ZINC000286549226	ref	6.48	-53.08	1	319.413	0.569	3	5	6	CC(C)C[NH+]1CCC(NC(=O)NCCn2cnc(C#N)n2)CC1
282120325	ZINC000533443285	ref	6.51	-15.89	0	266.385	1.94	1	2	4	CCC(=O)N1CC[C@H](C(=O)N[C@@H]2CCC[C@@H]2CC)C1
178292549	ZINC000237015619	high	3.88	-15.89	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)NC[C@@H]2C)c1
178292550	ZINC000237016009	ref	4.86	-55.74	1	367.515	1.837	2	3	8	CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)c1
178292552	ZINC000237010395	ref	8.22	-52.58	1	362.433	1.986	2	3	4	CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1
178292554	ZINC000237010395	mid	7.25	-14.86	0	362.433	1.986	2	4	4	CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H]1Cc2ccccc2CN1
178292556	ZINC000237004796	ref	2.8	-54.28	1	371.478	1.468	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1
214190273	ZINC000278494047	ref	5.52	-57.35	1	317.364	2.656	2	3	7	CC(=O)Nc1cccc(OCC[NH2+]Cc2ccc(F)nc2C)c1
282120326	ZINC000533440025	ref	6.63	-55.98	1	292.383	1.397	1	4	5	Cc1noc(CCC[N@@H+]2CCC[C@@H](N3CCCC3=O)C2)n1
214190254	ZINC000293636141	mid	1.85	-15.13	0	354.472	0.926	1	5	5	Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@@H](N(C)CCO)[C@H]1C
349535980	ZINC000258932404	ref	3.81	-132.4	2	248.326	1.427	2	2	4	[NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2
398249542	ZINC000381278000	mid	4.08	-170.82	3	211.353	0.657	3	0	4	[NH3+]CC[C@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1
187169753	ZINC000125096948	mid	8.06	-39.85	1	276.384	2.338	2	2	2	Cc1cccc(NC(=O)N2CCC[N@H+](C(C)C)CC2)n1
178292555	ZINC000061148227	ref	4.93	-40.89	1	234.343	2.169	1	2	2	Cc1cc2c(n1C[C@@H]1CCOC1)CCC[C@H]2[NH3+]
178292559	ZINC000082376883	ref	3.23	-52.12	1	208.286	1.367	1	3	1	Cc1cc2c(s1)c(C[NH3+])cc(=O)n2C
214190257	ZINC000293639677	ref	2.72	-17.52	0	368.459	0.991	2	6	5	COCc1cnc(NC(=O)C(=O)N2CCCNC(=O)[C@H]2CC(C)C)s1
214190260	ZINC000293649027	ref	6.44	-20.95	0	374.393	0.925	2	6	9	COC(=O)[C@H](CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1)OC
178292562	ZINC000044685438	ref	6.7	-9.78	0	247.338	3.128	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C1CC1
178292565	ZINC000019484674	ref	5.22	-44.83	1	207.317	3.196	1	1	0	Cc1cc2c(o1)C[C@@H](C(C)(C)C)C[C@H]2[NH3+]
214190264	ZINC000293637883	ref	3.66	-24.23	0	362.43	0.575	2	4	6	CNC(=O)NCCC(=O)N1CCCN(Cc2ccc(OC)cc2)C(=O)C1
214190269	ZINC000293638958	ref	2.96	-19.91	0	371.371	0.429	0	7	4	CN(C(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2)[C@@H]1CCN(S(C)(=O)=O)C1
214190272	ZINC000293638840	ref	5.39	-28.51	0	357.388	0.466	0	6	6	CN(C(=O)COc1ccccc1[N+](=O)[O-])[C@@H]1CCN(S(C)(=O)=O)C1
214190276	ZINC000293647450	ref	5.36	-12.71	0	374.401	0.632	1	8	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCCC[C@@H]1c1ccnn1C
178292568	ZINC000100005589	ref	5.14	-5.55	0	229.308	3.151	3	3	0	Cc1cc2c(s1)Nc1ccccc1NC2=N
178292569	ZINC000100005589	mid	5.06	-28.12	1	229.308	3.151	3	2	0	Cc1cc2c(s1)Nc1ccccc1NC2=[NH2+]
178292571	ZINC000049814692	ref	7.42	-4.71	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@H](C)[C@@H](C)CC2
185090170	ZINC000096075938	mid	4.13	-38.64	1	265.313	0.611	1	4	4	COCC[N@H+]1CC[C@]12CCN(C(=O)c1ccno1)C2
214190281	ZINC000293637785	ref	2.43	-16.01	0	372.443	0.622	1	6	8	CNC(=O)[C@@H](C)CN(C)S(=O)(=O)c1cc(COC)cc(C(=O)OC)c1
230233977	ZINC000331056822	ref	-5.25	-20.71	0	275.334	-1.261	1	5	5	CNS(=O)(=O)CCCN1CCN2C(=O)N=NC2C1
190492116	ZINC000269409448	ref	3.47	-11.76	0	278.743	2.063	2	4	3	N#Cc1nc(N[C@@H]2CCCC[C@H]2C(N)=O)ccc1Cl
190492117	ZINC000269408931	ref	5.88	-7.92	0	288.391	3.037	1	3	3	CC(C)c1ccc(C(=O)N[C@H]2CCOC3(CCC3)C2)cn1
365623022	ZINC000641587115	ref	2.62	-10.78	0	267.712	1.555	1	3	2	COc1cc(Cl)cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
365623033	ZINC000395385807	ref	3.83	-11.44	0	279.384	1.606	1	4	2	CCc1cc(C(=O)N2CC[C@H](O)CC(C)(C)C2)n(C)n1
365623040	ZINC000641587164	ref	5.06	-16.45	0	289.379	1.046	1	4	4	Cc1nn(CC2CC2)c(C)c1CC(=O)N1C[C@H]2C[C@@]2(O)C1
365623055	ZINC000641590855	ref	2.43	-18.07	0	289.331	1.313	2	4	1	CC1(C)Cc2ccc(C(=O)N3C[C@H]4C[C@@]4(O)C3)c(O)c2O1
365623063	ZINC000641590855	high	3.41	-69.01	-1	289.331	1.313	1	4	1	CC1(C)Cc2ccc(C(=O)N3C[C@H]4C[C@@]4(O)C3)c([O-])c2O1
365623068	ZINC000641590743	ref	5.88	-10.44	0	257.333	1.692	1	2	2	Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@@H]3C[C@]3(O)C2)c1
214190258	ZINC000337634702	ref	11.89	-44.33	1	269.392	3.494	1	2	4	CC[C@@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1
342598465	ZINC000194606457	ref	0.67	-10.3	0	258.665	1.436	3	4	1	COC(=O)NNC(=O)Nc1ccc(Cl)nc1C
342598466	ZINC000590816353	ref	8.07	-10.72	0	299.378	1.821	0	5	3	CN(C)c1ccnc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1
365623076	ZINC000641587065	ref	3.09	-15.41	0	289.303	1.865	1	4	3	Cc1cc(OC(F)F)c(C(=O)N2C[C@H]3C[C@@]3(O)C2)s1
365623087	ZINC000641590745	ref	5.89	-10.85	0	257.333	1.692	1	2	2	Cc1cccc([C@@H]2C[C@H]2C(=O)N2C[C@H]3C[C@@]3(O)C2)c1
365623095	ZINC000641590782	ref	3.09	-12.35	0	290.363	1.273	1	4	2	Cc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)c(C)n1[C@H]1CCOC1
365623106	ZINC000641587096	ref	3.56	-15.19	0	290.338	1.245	1	3	2	O=C([C@@H]1CCN(c2ccccc2F)C1)N1C[C@H]2C[C@@]2(O)C1
365623112	ZINC000641590826	ref	4.57	-12.5	0	253.342	1.175	1	3	3	C[C@@H]1CCC[C@H](OCC(=O)N2C[C@@H]3C[C@]3(O)C2)C1
342598467	ZINC000590816353	low	8.76	-38.34	1	299.378	1.821	0	4	3	CN(C)c1ccnc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1
342598468	ZINC000590816470	ref	5.34	-9.19	0	263.341	1.352	1	4	2	O=C(N1CCC[C@@H](n2ccnc2)C1)C1(O)CCCC1
342598469	ZINC000590816470	low	6.05	-39.35	1	263.341	1.352	1	3	2	O=C(N1CCC[C@@H](n2cc[nH+]c2)C1)C1(O)CCCC1
214190262	ZINC000337634702	mid	11.85	-44.08	1	269.392	3.494	1	2	4	CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1
342598470	ZINC000590814849	ref	3.94	-11.51	0	287.294	1.898	2	3	4	Cc1cc(NC(=O)CNC(=O)c2ccncc2)ccc1F
178292557	ZINC000237004796	high	2.51	-13.19	0	371.478	1.468	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCC[C@H](NS(=O)(=O)c2cccc(F)c2)C1
365623122	ZINC000641587049	ref	2.76	-54.92	-1	298.136	1.362	1	3	1	O=C(c1cccc(Br)c1[O-])N1C[C@@H]2C[C@]2(O)C1
365623129	ZINC000641587049	mid	1.79	-13.29	0	298.136	1.362	2	3	1	O=C(c1cccc(Br)c1O)N1C[C@@H]2C[C@]2(O)C1
214190265	ZINC000337634702	low	12.4	-83.21	2	269.392	3.494	1	1	4	CC[C@@H]1CCC[N@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1
306234508	ZINC000557851079	ref	5.37	-16.96	0	344.337	1.349	1	3	4	Cc1ccc(CCNC(=O)N2CCN(CC(F)(F)F)C(=O)C2)cn1
282120327	ZINC000533440025	mid	6.3	-45.7	1	292.383	1.397	1	4	5	Cc1noc(CCC[N@H+]2CCC[C@@H](N3CCCC3=O)C2)n1
365623025	ZINC000643089605	mid	-0.44	-68.85	0	289.426	1.166	1	4	4	Cc1nc(S(=O)(=O)[N-][C@H]2CC[C@@H](C[NH3+])C2)sc1C
349535831	ZINC000594972302	ref	7.04	-44.03	1	298.314	2.594	1	4	6	CC(C)(F)CC[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCCO2
178292558	ZINC000237015589	ref	5.05	-46.99	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)c1
178292560	ZINC000237015589	high	3.92	-10.23	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)NC[C@H]2C)c1
178292561	ZINC000237003201	ref	4.12	-50.15	1	353.488	1.283	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1
178292563	ZINC000237003201	high	3.98	-13.83	0	353.488	1.283	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1
178292564	ZINC000237014700	ref	5.04	-48.97	1	353.488	1.541	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC([NH2+]C)CC2)c1
178292566	ZINC000237012905	ref	5.06	-51.58	1	359.536	1.285	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1
178292567	ZINC000237005142	ref	2.68	-52.61	1	353.488	1.621	3	3	8	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1
178292570	ZINC000237011054	ref	5.02	-53.91	1	356.419	1.564	2	4	5	CCOC(=O)c1cc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)ccc1F
365623035	ZINC000565293755	ref	5.1	-50.07	1	274.368	1.918	3	2	7	CC[NH2+]CCCNC(=O)N[C@@H](C)c1ccc(C#N)cc1
178292573	ZINC000237010156	ref	4.92	-61.03	1	359.536	1.333	2	3	7	CC[NH2+]CC1CCN(C(=O)CS(=O)(=O)NC2CCC(C)CC2)CC1
398249543	ZINC000457199673	ref	7.98	-6.32	0	227.392	3.61	1	1	5	CC(C)C[C@@H](C)C(=O)N[C@@H](C)CC(C)(C)C
178292575	ZINC000237012994	ref	5.53	-47.64	1	352.456	1.767	1	4	5	CCOC(=O)c1ccc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
214190267	ZINC000337634702	low	12.36	-83.1	2	269.392	3.494	1	1	4	CC[C@@H]1CCC[N@@H+](Cc2ccc(-n3cc[nH+]c3)cc2)C1
178292577	ZINC000237015768	ref	8.24	-69.9	-1	356.781	1.874	0	4	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cccc(F)c1Cl
214190271	ZINC000337636889	ref	7.15	-7.61	0	287.407	2.491	2	3	6	C[C@H]1CCC[C@@H]1CNC(=O)c1ccc(NCC2CC2)nc1
214190277	ZINC000337634203	ref	3.66	-14.49	0	280.332	0.109	3	5	5	CCNC(=O)CNC(=O)Nc1nc(C)cc(N(C)C)n1
365623034	ZINC000336543474	ref	7.68	-9.03	0	298.386	2.084	1	2	3	CC1=CCCN(C(=O)CNC(=O)c2ccc3c(c2)CCC3)C1
365623039	ZINC000336542815	ref	6.48	-4.97	0	281.396	2.362	0	3	3	COC1(C(=O)N2C[C@H](C3CC3)O[C@H](C)C2)CCCCC1
282120328	ZINC000533440025	high	4.08	-12.01	0	292.383	1.397	0	5	5	Cc1noc(CCCN2CCC[C@@H](N3CCCC3=O)C2)n1
282123569	ZINC000533474098	ref	3.39	-10.91	0	292.335	1.101	1	5	3	COC(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)O)C2)cn1
365623050	ZINC000336542999	ref	8.24	-51.99	1	296.773	2.437	1	1	3	CN(Cc1ccc(F)cc1Cl)C(=O)[C@H]1C[C@@]12CC[NH2+]C2
365623057	ZINC000336543081	ref	7.13	-32.03	1	296.455	2.403	2	2	3	C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@](C)(O)CC1
365623064	ZINC000336543081	mid	6.67	-32.02	1	296.455	2.403	2	2	3	C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@](C)(O)CC1
365623067	ZINC000336543081	high	4.8	-8.2	0	296.455	2.403	1	3	3	C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@](C)(O)CC1
365623074	ZINC000336543411	ref	5.5	-12.74	0	289.31	2.375	1	4	3	C[C@H]1C[C@@H](C(=O)Nc2ccc(-n3cccn3)c(F)c2)CO1
365623081	ZINC000336542610	ref	6.76	-104.58	2	287.407	2.089	3	1	3	C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1
365623086	ZINC000336542610	mid	4.58	-46.11	1	287.407	2.089	2	2	3	C[C@H](C(=O)Nc1ccccc1)N1CCC2(CC[NH2+]C2)CC1
365623093	ZINC000336542681	ref	5.0	-39.43	1	255.321	2.106	3	1	2	O=C(Nc1cccc2[nH]ccc12)[C@@H]1C[C@@]12CC[NH2+]C2
398246609	ZINC000650863804	ref	5.49	-37.45	1	295.427	1.729	3	2	6	COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC2(CCC2)C1
214190274	ZINC000053604585	ref	9.04	-41.02	1	346.393	2.924	1	3	8	C[N@H+](CCCOCC(F)(F)F)Cc1ccccc1N1CCOCC1
342598471	ZINC000590816575	ref	2.88	-41.32	-1	267.235	1.334	1	4	3	Cn1ccnc1CNC(=O)c1c([O-])cc(F)cc1F
342598472	ZINC000590816575	low	2.11	-11.57	0	267.235	1.334	2	4	3	Cn1ccnc1CNC(=O)c1c(O)cc(F)cc1F
342598473	ZINC000616985159	ref	9.51	-17.39	0	261.329	1.693	0	5	4	CC[C@@H](C)N(CC)C(=O)c1nc2nccc(C)n2n1
214190275	ZINC000053604585	mid	9.04	-41.09	1	346.393	2.924	1	3	8	C[N@@H+](CCCOCC(F)(F)F)Cc1ccccc1N1CCOCC1
398246612	ZINC000650863804	mid	6.0	-37.77	1	295.427	1.729	3	2	6	COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1CC2(CCC2)C1
197597318	ZINC000162866312	ref	3.15	-11.35	0	300.358	2.495	1	4	3	Cc1nc(-c2ccccc2)oc1C(=O)N1CCC[C@@H](CO)C1
349535834	ZINC000594972302	high	5.85	-8.23	0	298.314	2.594	1	5	6	CC(C)(F)CCNCc1cc2c(cc1[N+](=O)[O-])OCCO2
342598474	ZINC000616984965	ref	7.02	-10.47	0	252.358	1.644	0	2	5	CC[C@@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
214190278	ZINC000278494047	high	4.13	-15.46	0	317.364	2.656	2	4	7	CC(=O)Nc1cccc(OCCNCc2ccc(F)nc2C)c1
214190282	ZINC000278494499	ref	4.74	-12.18	0	308.334	1.391	1	6	6	COC(=O)c1cnccc1NC(=O)[C@@H](C)OC[C@H]1CCCO1
219048616	ZINC000097694652	ref	9.77	-42.49	1	325.456	3.259	2	1	1	Cc1cc(C)c2[nH]c(C(=O)N3C[C@H]4CC[C@@H]3C[N@H+](C)C4)c(C)c2c1
342598475	ZINC000590815064	ref	5.43	-13.26	0	269.304	1.515	0	4	2	O=C(c1ccc2c(c1)CCO2)N1CC(n2cccn2)C1
219048618	ZINC000097694652	mid	10.7	-44.4	1	325.456	3.259	2	1	1	Cc1cc(C)c2[nH]c(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)c(C)c2c1
342598476	ZINC000616984869	ref	4.07	-9.99	0	255.362	1.424	1	2	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCCN(C(N)=O)C1
365623042	ZINC000172827058	ref	2.17	-10.29	0	251.315	1.624	1	6	3	CCn1nc(C)c(NC(=O)c2cnsn2)c1C
219048619	ZINC000097694652	high	9.29	-8.39	0	325.456	3.259	1	2	1	Cc1cc(C)c2[nH]c(C(=O)N3C[C@H]4CC[C@@H]3CN(C)C4)c(C)c2c1
219048620	ZINC000097694668	ref	8.69	-16.38	0	325.412	3.108	1	3	6	O=C(c1cccc(-c2ncc[nH]2)c1)N(CC1CC1)C[C@@H]1CCCO1
219048622	ZINC000097694668	low	9.18	-35.15	1	325.412	3.108	1	2	6	O=C(c1cccc(-c2[nH]cc[nH+]2)c1)N(CC1CC1)C[C@@H]1CCCO1
214190285	ZINC000278495440	ref	0.24	-8.85	0	306.753	1.817	2	5	4	Cc1nc(CNC(=O)c2cnc(Cl)cn2)ccc1[C@@H](C)O
342598477	ZINC000590814920	ref	6.7	-14.56	0	253.342	1.583	0	3	5	O=C(COC[C@@H]1CCCO1)N1CCC[C@H]1C1CC1
214190288	ZINC000278495775	ref	3.18	-13.83	0	313.357	2.424	1	5	4	C[C@H]1COCC[C@@H]1NC(=O)c1cccc(Oc2cnccn2)c1
365623053	ZINC000172822103	ref	4.27	-8.81	0	269.352	1.502	0	5	3	Cc1nccc(N2CCN(Cc3cccnc3)CC2)n1
219048624	ZINC000097694812	ref	12.07	-18.16	0	349.409	3.64	0	3	3	Cc1cccn2c(CC(=O)N3CC=C(c4ccc(F)cc4)CC3)cnc12
219048626	ZINC000097694812	low	12.56	-34.86	1	349.409	3.64	0	2	3	Cc1cccn2c(CC(=O)N3CC=C(c4ccc(F)cc4)CC3)c[nH+]c12
219048628	ZINC000097695757	ref	9.96	-17.18	0	337.379	2.742	0	5	5	C[C@@H](c1ccco1)N(C(=O)Cn1cnc2ccccc2c1=O)C1CC1
342598478	ZINC000590816632	ref	-0.43	-45.33	-1	287.279	1.037	3	4	2	O=C1CCCc2cc(NC(=O)c3n[nH]c(=O)[n-]3)ccc2N1
168365589	ZINC000299805266	ref	2.18	-41.49	1	121.13	0.989	1	0	1	C[C@@H]([NH3+])[C@@H]1CC1(F)F
398246610	ZINC000649444324	mid	1.56	-9.25	0	218.142	0.619	1	5	1	Cn1nnnc1-c1cc(C(F)(F)F)n[nH]1
365623047	ZINC000625034655	low	4.76	-50.68	1	302.321	2.058	2	3	5	CC1(C)C[N@H+](CCNC(=O)c2coc(C(F)F)c2)CCO1
365623054	ZINC000625034655	low	4.76	-50.73	1	302.321	2.058	2	3	5	CC1(C)C[N@@H+](CCNC(=O)c2coc(C(F)F)c2)CCO1
365623060	ZINC000625034449	ref	5.26	-11.66	0	320.418	2.076	0	5	4	CC[C@H]1C[C@H](C)CN1S(=O)(=O)c1cnnn1-c1ccccc1
365623070	ZINC000625036948	ref	7.33	-19.27	0	307.438	2.362	1	2	4	CN(CC1CCCCC1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365623080	ZINC000625037268	ref	6.54	-19.27	0	321.343	2.124	1	2	5	CCN(CCC(F)(F)F)C(=O)N[C@H]1CCN(C2CCC2)C1=O
178292572	ZINC000049032072	ref	3.58	-5.12	0	222.631	1.396	1	4	1	Cc1cc2c(cn1)C(=O)C(NCl)=CC2=O
178292574	ZINC000085399177	ref	3.52	-5.64	0	220.19	2.746	1	2	0	Cc1cc2c(o1)C[C@H](C(F)(F)F)C[C@@H]2O
178292576	ZINC000217647017	ref	5.9	-10.59	0	200.184	2.598	0	2	1	Cc1cc2c(o1)C[C@H](C(F)F)CC2=O
178292578	ZINC000063146707	ref	6.33	-7.68	0	247.363	3.276	1	3	2	Cc1cc2c(n1Cc1ccsc1)CCC[C@H]2O
398246613	ZINC000649444352	ref	9.06	-7.14	0	226.323	3.581	0	2	3	C=C(C)c1ccc(Cn2nc(C)cc2C)cc1
178292585	ZINC000094080449	ref	5.05	-40.64	1	248.37	2.553	2	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CC[NH2+]C1
342082990	ZINC000625334769	high	3.75	-5.71	0	283.46	1.953	1	3	8	CCN(CC(=O)N[C@@H](C)C(C)C)C[C@@H]1CCCN1CC
136228569	ZINC000283273887	ref	7.29	-9.16	0	235.233	1.873	0	1	0	CC#CC(=O)N1CCc2c(F)ccc(F)c2C1
342082991	ZINC000402861161	ref	7.01	-13.28	0	289.354	1.605	0	3	5	N#Cc1ccc(CC(=O)N2CCN(CCCF)CC2)cc1
342082992	ZINC000402861161	mid	9.23	-56.54	1	289.354	1.605	1	2	5	N#Cc1ccc(CC(=O)N2CC[NH+](CCCF)CC2)cc1
178292587	ZINC000094080449	low	6.07	-118.22	2	248.37	2.553	2	1	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H]1CC[NH2+]C1
398246616	ZINC000649444283	ref	4.96	-14.48	0	237.324	2.26	0	2	2	C=C(C)c1cccc(N2CCCS2(=O)=O)c1
178292591	ZINC000104052014	ref	5.83	-39.29	1	249.354	2.98	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@@H]1CCOC1
178292593	ZINC000104052014	high	4.83	-4.82	0	249.354	2.98	1	3	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@@H]1CCOC1
178292595	ZINC000090377013	ref	10.89	-4.59	0	239.362	4.285	0	1	2	Cc1cc2c(n1[C@H](C)c1ccccc1)CCCC2
178292598	ZINC000016284597	ref	6.72	-10.59	0	221.216	1.094	0	5	1	Cc1cc2c(cc1[N+](=O)[O-])n(C)c(=O)n2C
349535841	ZINC000594973246	ref	8.67	-49.97	1	286.375	2.75	2	2	6	COC(=O)c1cc(C[NH2+]CCc2ccc(C)c(C)c2)c[nH]1
365623092	ZINC000625037399	ref	7.08	-19.92	0	307.438	2.217	1	2	4	CC(C)C[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
343994424	ZINC000599271947	ref	3.31	-12.95	0	277.415	1.148	1	5	6	CC[C@H](CSC)NS(=O)(=O)c1cnc(C)n1C
282120335	ZINC000424368027	ref	4.66	-58.22	-1	342.392	2.476	2	4	7	CCC(CC)(CNS(=O)(=O)c1c[nH]c2cccc(F)c12)C(=O)[O-]
349535842	ZINC000093295192	ref	-0.51	-9.18	0	267.329	0.512	1	5	3	Cc1ncoc1C(=O)N1CCN(CC(C)(C)O)CC1
197597327	ZINC000162866925	ref	7.58	-14.6	0	315.417	1.806	1	2	2	CN1C[C@@H](NC(=O)N(C)[C@H]2CCc3ccccc3C2)CCC1=O
349535848	ZINC000093295192	mid	1.24	-44.38	1	267.329	0.512	2	4	3	Cc1ncoc1C(=O)N1CC[NH+](CC(C)(C)O)CC1
349535851	ZINC000093292492	ref	3.25	-52.59	1	284.404	0.683	4	2	6	CC(C)NC(=O)CCNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1
349535855	ZINC000093298278	ref	4.84	-40.42	1	268.357	0.786	2	3	3	COC(=O)C(C)(C)[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1
365623059	ZINC000576548122	mid	7.95	-33.67	1	238.419	3.147	2	0	7	C=CCCCC[N@H+](C)C1CC[NH+](C(C)C)CC1
365623065	ZINC000576548122	mid	7.96	-33.66	1	238.419	3.147	1	1	7	C=CCCCC[N@@H+](C)C1CCN(C(C)C)CC1
365623073	ZINC000576548122	mid	7.95	-33.67	1	238.419	3.147	1	1	7	C=CCCCC[N@H+](C)C1CCN(C(C)C)CC1
282120338	ZINC000424374110	ref	4.08	-58.96	-1	343.401	1.627	1	6	7	CCC(CC)(CNS(=O)(=O)c1cccc2c1OCCO2)C(=O)[O-]
365623077	ZINC000576546969	ref	6.17	-15.59	0	234.274	1.952	1	2	4	Cc1ccc(F)c(CC(=O)NC[C@H](C)C#N)c1
365623088	ZINC000576550415	ref	6.97	-45.36	-1	227.304	1.744	0	3	4	CN(C(=O)CC(C)(C)C(=O)[O-])[C@@H]1CC1(C)C
342082993	ZINC000625335613	ref	3.65	-33.77	1	257.374	1.273	2	3	7	CCO[C@H](C[N@@H+]1CCOC[C@@H]1C[C@H](C)O)C1CC1
168365305	ZINC000368504161	ref	7.04	-14.62	0	348.406	3.256	1	5	6	CC(C)Oc1ncccc1C(=O)NCc1ncc(-c2ccccc2)cn1
178292579	ZINC000237004767	ref	3.65	-52.91	1	367.515	1.883	3	3	8	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1
342082994	ZINC000625335613	mid	3.8	-34.33	1	257.374	1.273	2	3	7	CCO[C@H](C[N@H+]1CCOC[C@@H]1C[C@H](C)O)C1CC1
342082995	ZINC000625335613	mid	2.48	-4.06	0	257.374	1.273	1	4	7	CCO[C@H](CN1CCOC[C@@H]1C[C@H](C)O)C1CC1
342082996	ZINC000238059962	ref	4.39	-53.19	1	292.77	1.994	2	3	6	[NH3+]CCCCNC(=O)c1cnn(-c2ccccc2Cl)c1
342082997	ZINC000608889295	ref	3.04	-21.38	0	260.297	1.174	3	4	3	C[C@@H](Nc1cccc2c1ccn2C)C(=O)NC(N)=O
342082998	ZINC000625334709	ref	4.52	-27.77	1	253.39	1.071	2	2	5	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCCNC1=O
342082999	ZINC000625334709	mid	3.45	-33.36	1	253.39	1.071	2	2	5	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H]1CCCNC1=O
342083000	ZINC000625334709	high	2.32	-8.36	0	253.39	1.071	1	3	5	CCN1CCC[C@@H]1CN(CC)[C@@H]1CCCNC1=O
342083001	ZINC000238059238	ref	2.79	-53.97	1	295.408	1.065	2	3	5	[NH3+]C[C@@H]1CCCN(C(=O)CCNC(=O)c2ccsc2)C1
342083002	ZINC000625334719	ref	4.71	-33.08	1	253.39	1.071	2	2	5	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H]1CCCNC1=O
365623062	ZINC000172822103	low	6.54	-47.14	1	269.352	1.502	1	4	3	Cc1nccc(N2CC[NH+](Cc3cccnc3)CC2)n1
365623069	ZINC000172822370	ref	3.65	-8.24	0	281.352	1.861	1	4	8	COC[C@H](C)C(=O)NC[C@@H](C)Oc1cccc(OC)c1
365623079	ZINC000643089604	ref	0.25	-53.37	1	289.426	1.166	2	4	4	Cc1nc(S(=O)(=O)N[C@@H]2CC[C@H](C[NH3+])C2)sc1C
365623085	ZINC000643089604	mid	-0.53	-72.03	0	289.426	1.166	1	4	4	Cc1nc(S(=O)(=O)[N-][C@@H]2CC[C@H](C[NH3+])C2)sc1C
365623094	ZINC000172823698	ref	3.94	-15.52	0	294.351	1.057	1	4	7	COc1cccc(O[C@H](C)CNC(=O)CN(C)C(C)=O)c1
365623103	ZINC000565295536	ref	5.86	-43.37	1	257.341	1.174	1	4	2	N#Cc1cc(N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ncn1
168365306	ZINC000368505059	ref	8.64	-36.26	1	328.497	3.427	1	3	5	CCOC(C)(C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C
168365308	ZINC000368504139	ref	7.81	-13.76	0	346.471	3.228	1	3	5	COc1ccc(CC[C@H](C)NC(=O)N2CC[C@]3(CCCOC3)C2)cc1
282120337	ZINC000151573079	ref	7.92	-17.66	0	320.355	2.436	0	2	5	CCC(=O)N1CC[C@@H](C(=O)N(CC2CCC2)CC(F)(F)F)C1
178305565	ZINC000011737079	ref	7.07	-12.62	0	233.34	2.329	1	3	3	Cc1cc2ncn(CCC(N)=S)c2cc1C
282120339	ZINC000151570407	ref	8.15	-45.46	1	322.453	2.378	2	3	5	Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1
342083003	ZINC000625334719	mid	3.47	-34.18	1	253.39	1.071	2	2	5	CCN(C[C@H]1CCC[N@H+]1CC)[C@H]1CCCNC1=O
342083004	ZINC000625334719	high	2.79	-5.57	0	253.39	1.071	1	3	5	CCN(C[C@H]1CCCN1CC)[C@H]1CCCNC1=O
342083005	ZINC000625335669	ref	2.6	-9.54	0	293.429	1.68	1	4	10	CCC[C@@H](CNS(=O)(=O)CC[C@H]1CCCO1)OCC
342083006	ZINC000402863651	ref	4.13	-11.32	0	269.41	1.817	2	3	5	CS[C@H](CO)[C@@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
342083007	ZINC000625335660	ref	2.09	-12.64	0	281.418	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)[C@@H](C)CCOC)OCC
342083008	ZINC000608889066	ref	4.22	-12.94	0	291.38	1.218	1	6	7	CC[C@@H](SCc1nnnn1Cc1ccccc1)C(N)=O
342083009	ZINC000625335541	ref	2.7	-11.73	0	293.429	1.538	1	4	9	CCC[C@@H](CNS(=O)(=O)CC1CCOCC1)OCC
342083010	ZINC000625335616	ref	4.0	-35.31	1	257.374	1.273	2	3	7	CCO[C@H](C[N@@H+]1CCOC[C@H]1C[C@@H](C)O)C1CC1
342083011	ZINC000625335616	mid	3.67	-34.93	1	257.374	1.273	2	3	7	CCO[C@H](C[N@H+]1CCOC[C@H]1C[C@@H](C)O)C1CC1
342083012	ZINC000625335616	mid	1.46	-3.03	0	257.374	1.273	1	4	7	CCO[C@H](CN1CCOC[C@H]1C[C@@H](C)O)C1CC1
199273185	ZINC000294963870	mid	5.27	-95.02	2	275.396	1.595	3	1	7	CC[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1C)C1CC1
178292580	ZINC000237017285	ref	5.31	-50.89	1	358.486	1.093	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1
185090173	ZINC000096078750	ref	6.55	-21.84	0	298.35	0.623	0	6	2	Cc1cnc(N2CC3(CCN3C(=O)c3cnn(C)c3)C2)nc1
282120340	ZINC000316502079	ref	5.04	-60.0	-1	329.418	2.173	1	5	8	CCC(CC)(CNS(=O)(=O)c1cc(C)ccc1OC)C(=O)[O-]
178292582	ZINC000237017285	high	4.96	-14.28	0	358.486	1.093	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1
214190279	ZINC000053604585	high	6.68	-5.54	0	346.393	2.924	0	4	8	CN(CCCOCC(F)(F)F)Cc1ccccc1N1CCOCC1
178292583	ZINC000237010445	ref	2.36	-61.4	1	356.488	1.551	2	4	9	CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O
178292584	ZINC000237010445	mid	2.02	-20.06	0	356.488	1.551	2	5	9	CC[C@H](C)Oc1cc(C)ccc1CNC(=O)[C@H](N)CCS(C)(=O)=O
199273187	ZINC000294963870	mid	4.88	-37.07	1	275.396	1.595	3	2	7	CC[N@H+](CCNC(=O)[C@H](N)c1ccccc1C)C1CC1
365623072	ZINC000274322122	ref	4.61	-53.33	1	273.336	1.884	2	3	7	C[C@H](CCc1ccccc1)[NH2+]Cc1cc(C(N)=O)no1
199273189	ZINC000294963870	mid	4.86	-36.69	1	275.396	1.595	3	2	7	CC[N@@H+](CCNC(=O)[C@H](N)c1ccccc1C)C1CC1
178292586	ZINC000237003576	ref	3.81	-53.58	1	353.488	1.587	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1
214190283	ZINC000053601936	ref	6.57	-10.73	0	344.264	3.857	2	4	5	O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccc(CO)c(F)c1
214190287	ZINC000053600581	ref	5.69	-13.9	0	344.411	2.66	3	4	6	Cc1[nH]c(C(=O)NC[C@H](O)c2ccccc2)c(C)c1C(=O)OC(C)C
178292588	ZINC000237012989	ref	5.06	-51.92	1	359.536	1.285	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1
178292590	ZINC000237002119	ref	5.36	-55.55	1	368.499	1.707	1	4	8	CC[NH2+]CC1CCN(C(=O)CCOc2ccc(S(C)(=O)=O)cc2)CC1
178292592	ZINC000237006661	ref	5.88	-48.88	1	366.893	1.987	3	2	7	CC[NH2+]CC1CCN(C(=O)CNC(=O)NCc2ccc(Cl)cc2)CC1
178292594	ZINC000237013175	ref	5.53	-52.37	1	356.444	1.609	1	5	7	CCOC(=O)c1ccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)o1
365623083	ZINC000274322122	high	3.58	-7.93	0	273.336	1.884	2	4	7	C[C@H](CCc1ccccc1)NCc1cc(C(N)=O)no1
349535843	ZINC000594970438	ref	8.65	-50.83	1	284.359	2.619	2	2	4	COC(=O)c1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)c[nH]1
365623078	ZINC000617382114	ref	2.96	-20.32	0	293.279	0.741	2	5	5	COc1cc([N+](=O)[O-])ccc1C(=O)NC1(C(N)=O)CCC1
365623090	ZINC000617375374	ref	3.26	-8.86	0	281.356	0.831	1	5	7	COC[C@H](NC(=O)CCn1cccn1)C1CCOCC1
365623100	ZINC000617385318	ref	7.8	-22.77	0	291.267	0.715	1	6	3	COc1cc([N+](=O)[O-])ccc1C(=O)N=c1nc(C)[nH]n1C
342083013	ZINC000625335531	ref	3.6	-7.62	0	292.445	1.758	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCC[C@@H](C)C1)OCC
365623110	ZINC000617375407	ref	1.73	-16.11	0	280.324	0.959	2	4	5	COC[C@H](NC(=O)c1ccc[nH]c1=O)C1CCOCC1
178292596	ZINC000237016644	ref	4.29	-65.62	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1
178292597	ZINC000237012991	ref	7.63	-93.75	2	370.501	1.414	3	4	7	Cc1c(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)nnn1C1CC[NH2+]CC1
365623119	ZINC000617375500	ref	2.8	-11.21	0	298.383	0.413	1	4	5	COC[C@@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1CCOCC1
178292599	ZINC000237012991	high	5.53	-51.56	1	370.501	1.414	2	5	7	Cc1c(C(=O)N[C@H](Cc2ccccc2)CN(C)C)nnn1C1CC[NH2+]CC1
365623126	ZINC000617374914	ref	3.37	-19.47	0	294.351	0.557	1	5	5	COC[C@@H](NC(=O)c1ccn(C)c(=O)c1)C1CCOCC1
190597615	ZINC000270097039	ref	5.23	-9.12	0	263.322	2.213	0	5	4	CCOc1ccccc1N(C)C(=O)c1csnn1
178292600	ZINC000237006084	ref	5.02	-52.45	1	367.515	1.894	2	3	7	CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NC(=O)C2CC[NH2+]CC2)cc1
178292603	ZINC000237009168	ref	6.9	-56.6	1	373.457	1.052	2	5	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH2+]C[C@@H]3C)cc(C(C)C)nc21
178292604	ZINC000237009168	mid	5.59	-12.89	0	373.457	1.052	2	6	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCNC[C@@H]3C)cc(C(C)C)nc21
178292606	ZINC000237003790	ref	5.77	-52.07	-1	371.231	1.794	2	4	7	CC[C@@H](C)[C@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(=O)[O-]
178292608	ZINC000237008966	ref	7.39	-55.39	1	368.359	1.899	2	4	6	CC[NH2+]CCNC(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O
178292609	ZINC000237004295	ref	5.19	-54.69	1	367.515	1.375	2	3	8	CC[NH2+]CC1CCN(C(=O)CCc2ccc(S(=O)(=O)NC)cc2)CC1
342083014	ZINC000032635589	ref	6.84	-16.67	0	275.283	1.791	1	4	3	CONC(=O)c1nn(-c2ccccc2F)c2c1CCC2
342083015	ZINC000608889067	ref	4.11	-19.36	0	291.38	1.218	1	6	7	CC[C@H](SCc1nnnn1Cc1ccccc1)C(N)=O
342083016	ZINC000625335519	ref	6.9	-41.99	1	283.395	1.554	1	4	8	CCN(Cc1ncnn1CCF)C[C@@H]1CCC[N@@H+]1CC
282120342	ZINC000251955378	ref	7.06	-43.2	1	307.438	1.537	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1
282120344	ZINC000187805841	ref	7.04	-43.34	1	321.396	2.242	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCOc3ccc(F)cc32)C1
365623084	ZINC000623052540	low	7.76	-38.95	1	309.454	1.624	2	2	5	CC1CCC(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CCCC2)CC1
365623089	ZINC000623052540	low	7.72	-42.24	1	309.454	1.624	2	2	5	CC1CCC(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CCCC2)CC1
282120349	ZINC000362072688	ref	8.21	-42.94	1	349.45	3.021	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)C1
282120352	ZINC000362073749	ref	9.0	-84.01	2	294.443	1.206	3	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1
398246615	ZINC000650863804	high	3.15	-8.16	0	295.427	1.729	2	3	6	COCCN1CCC[C@@H]1CNC(=O)NC1CC2(CCC2)C1
398246617	ZINC000650864098	ref	3.48	-6.83	0	269.433	1.565	1	3	5	CCC[C@@H](NC(=O)CN1CCN(C)CC1)C(C)(C)C
282120355	ZINC000362073749	mid	8.33	-83.15	2	294.443	1.206	3	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1
365623096	ZINC000623051688	ref	3.81	-11.07	0	315.366	1.779	0	4	2	C[C@H]1COCC[C@@H]1S(=O)(=O)N1CCOc2ccc(F)cc21
365623107	ZINC000623053280	ref	8.2	-47.83	1	319.796	1.571	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCC[NH2+]CC1
365623118	ZINC000623053280	high	6.91	-6.66	0	319.796	1.571	1	5	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCCNCC1
178292601	ZINC000049814693	ref	7.12	-4.98	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@@H](C)[C@@H](C)CC2
365623124	ZINC000623052690	ref	4.87	-15.67	0	321.396	1.385	1	3	6	C[C@H](C(=O)NCc1ccccc1F)N(C)CC(=O)N1CCCC1
342598479	ZINC000590816098	ref	8.04	-42.34	1	262.357	1.141	1	3	2	C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
349535846	ZINC000594970144	ref	3.97	-55.24	1	292.857	2.576	1	3	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1
365623130	ZINC000623052690	low	7.07	-37.51	1	321.396	1.385	2	2	6	C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)CC(=O)N1CCCC1
365623138	ZINC000623052690	low	7.04	-41.7	1	321.396	1.385	2	2	6	C[C@H](C(=O)NCc1ccccc1F)[N@@H+](C)CC(=O)N1CCCC1
365623150	ZINC000623052031	ref	4.48	-13.18	0	301.35	1.503	2	5	3	O=C(Nc1cnnn1-c1ccccc1)N1CCC(CO)CC1
365623158	ZINC000623053059	ref	5.16	-46.03	1	311.183	1.162	1	3	2	O=C(c1nc(C2CC2)ncc1Br)N1CC[NH2+]CC1
212170297	ZINC000335493346	ref	7.31	-9.71	0	275.274	2.271	1	3	2	Cn1cncc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
282120343	ZINC000151570407	mid	7.72	-46.2	1	322.453	2.378	2	3	5	Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1
342083017	ZINC000625335519	mid	8.05	-38.39	1	283.395	1.554	1	4	8	CCN(Cc1ncnn1CCF)C[C@@H]1CCC[N@H+]1CC
342083018	ZINC000625335534	ref	1.78	-9.7	0	261.343	1.763	1	4	8	CCC[C@@H](CNS(=O)(=O)c1ccco1)OCC
342083019	ZINC000625335534	high	1.38	-46.13	-1	261.343	1.763	0	4	8	CCC[C@@H](C[N-]S(=O)(=O)c1ccco1)OCC
342083020	ZINC000608888892	ref	5.05	-10.46	0	273.336	1.593	2	3	6	CCC[C@@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1
190492124	ZINC000269410341	ref	7.62	-10.99	0	296.465	3.491	0	6	4	CCc1cnc(CN(C)c2nnc(C(C)(C)C)s2)s1
282120347	ZINC000151570407	high	5.98	-13.94	0	322.453	2.378	1	4	5	Cc1noc(C)c1[C@@H](C)CNC(=O)N(C)C[C@@H]1CCCN(C)C1
282120348	ZINC000151577278	ref	6.14	-20.1	0	301.346	2.024	2	4	4	CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc3c[nH]nc23)C1
349535849	ZINC000621246297	ref	2.51	-41.31	1	281.747	2.334	1	5	3	CCn1ncc(Cl)c1-c1nc(C2([NH3+])CCCC2)no1
214190280	ZINC000337636472	ref	2.8	-50.36	1	277.324	-0.014	3	3	7	NC(=O)COc1ccc(C(=O)NCC[NH+]2CCC2)cc1
185090177	ZINC000096075968	ref	5.71	-37.53	1	278.356	0.357	1	4	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1nccn1C)C2
185090179	ZINC000096075968	mid	5.77	-40.1	1	278.356	0.357	1	4	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1nccn1C)C2
214190284	ZINC000337636472	mid	-0.39	-17.21	0	277.324	-0.014	2	4	7	NC(=O)COc1ccc(C(=O)NCCN2CCC2)cc1
214190286	ZINC000337632911	ref	0.11	-11.52	0	263.313	0.042	3	3	8	COC[C@@H](C)CNC(=O)N[C@H](C)C(=O)NCCF
185090182	ZINC000096075968	mid	2.66	-8.91	0	278.356	0.357	0	5	4	COCCN1CC[C@@]12CCN(C(=O)c1nccn1C)C2
219048627	ZINC000286549599	ref	7.59	-11.18	0	311.381	2.861	0	3	1	O=C(c1cccc2ccccc12)N1CCO[C@@]2(CCCOC2)C1
342083021	ZINC000238066123	ref	7.1	-42.4	-1	297.376	1.773	0	5	6	O=C([O-])CCN(C(=O)Cc1cccs1)C1CCOCC1
342083022	ZINC000608889231	ref	4.44	-21.41	0	274.324	1.434	3	4	3	CNC(=O)NC(=O)[C@@H](C)Nc1cccc2c1ccn2C
342083023	ZINC000625335663	ref	2.17	-9.51	0	281.418	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)[C@@H](C)CCOC)OCC
342083024	ZINC000625335735	ref	1.25	-8.3	0	267.391	1.146	1	4	10	CCC[C@H](CNS(=O)(=O)[C@H](C)COC)OCC
342083025	ZINC000238049233	ref	7.47	-45.96	1	297.362	1.116	2	4	4	O=C(NCc1nncn1C1CC1)[C@H]1[NH2+]CCc2ccccc21
342083026	ZINC000238049233	mid	6.32	-13.35	0	297.362	1.116	2	5	4	O=C(NCc1nncn1C1CC1)[C@H]1NCCc2ccccc21
398246618	ZINC000649444329	ref	8.14	-9.41	0	216.28	3.081	0	2	3	C=C(C)c1ccc(C(=O)[C@H]2CCCO2)cc1
398246620	ZINC000649444144	ref	1.73	-8.56	0	217.154	1.224	1	4	1	Cn1nncc1-c1cc(C(F)(F)F)[nH]n1
178292602	ZINC000037118581	ref	7.01	-34.35	1	221.344	3.6	1	1	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C(C)C
398246622	ZINC000649444144	mid	1.74	-9.27	0	217.154	1.224	1	4	1	Cn1nncc1-c1cc(C(F)(F)F)n[nH]1
365623091	ZINC000274321019	ref	5.49	-10.46	0	252.343	1.836	1	4	2	CC[C@H]1CN(C(=O)Nc2cncnc2)CCS1
365623101	ZINC000274322671	ref	5.6	-15.13	0	297.314	1.99	1	5	3	O=C(Nc1cncnc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2
365623111	ZINC000274323642	ref	6.81	-9.83	0	297.351	1.25	0	6	5	CCOC(=O)[C@H]1CCCN1C[C@H]1CC(C(=O)OC)=C(C)O1
178292607	ZINC000072373461	ref	5.24	-9.5	0	233.296	1.795	0	5	0	Cc1cc2c(s1)c1cnn(C)c(=O)c1n2C
178292610	ZINC000041726214	ref	6.22	-38.28	1	206.333	2.789	1	1	2	Cc1cc2c(n1CC(C)C)CCC[C@@H]2[NH3+]
398246624	ZINC000649444304	ref	2.2	-7.9	0	209.274	1.861	0	5	2	COc1nscc1-c1cnn(C)c1C
398246627	ZINC000649444137	ref	0.4	-9.45	0	206.245	0.837	2	3	4	C=C(C)c1cncc(C(=O)NCCO)c1
178292614	ZINC000090377151	ref	10.05	-14.75	0	237.306	3.096	0	3	2	Cc1cc2c(ncn2Cc2ccccc2)nc1C
398246629	ZINC000649444302	ref	6.13	-10.49	0	216.284	2.639	1	1	2	C=C(C)c1cccc(N2CCCNC2=O)c1
365623120	ZINC000274323642	mid	8.44	-39.74	1	297.351	1.25	1	5	5	CCOC(=O)[C@H]1CCC[N@@H+]1C[C@H]1CC(C(=O)OC)=C(C)O1
365623127	ZINC000274323642	mid	7.97	-39.24	1	297.351	1.25	1	5	5	CCOC(=O)[C@H]1CCC[N@H+]1C[C@H]1CC(C(=O)OC)=C(C)O1
398246632	ZINC000649444271	ref	1.87	-8.77	0	203.241	1.944	1	2	3	C=C(C)c1ccc(O[C@H]2CC(=O)N2)cc1
365623131	ZINC000274322061	ref	3.67	-24.41	0	292.368	1.086	2	6	4	Cn1cc(NC(=O)NCCc2cn3c(n2)SCC3)cn1
365623141	ZINC000274320992	ref	3.74	-43.89	1	296.346	1.141	3	3	4	C[N@H+](CCO)C1CCN(C(=O)Nc2cccc(F)n2)CC1
349535850	ZINC000594970144	mid	3.17	-12.47	0	292.857	2.576	1	4	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ncc(Cl)s2)C1
343994427	ZINC000599271555	ref	2.82	-19.08	0	298.364	1.66	1	5	5	Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@H](C#N)CC(C)C
282120345	ZINC000336837303	ref	2.73	-46.92	-1	303.384	0.898	1	6	7	CCC(CC)(CNS(=O)(=O)c1cnn(C)c1C)C(=O)[O-]
365623146	ZINC000274320992	mid	4.07	-43.16	1	296.346	1.141	3	3	4	C[N@@H+](CCO)C1CCN(C(=O)Nc2cccc(F)n2)CC1
398246635	ZINC000649444311	ref	7.03	-5.67	0	227.307	3.484	1	1	1	C=C(C)c1ccc2c(c1)C1(CCCC1)C(=O)N2
398246636	ZINC000649444309	ref	5.35	-8.24	0	201.269	2.394	1	1	1	C=C(C)c1cccc2c1C[C@@H](C)NC2=O
214190290	ZINC000053599712	ref	7.63	-20.56	0	349.496	3.272	0	3	3	CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc(CS(C)(=O)=O)cc2)C1
168365309	ZINC000368505665	ref	9.19	-44.06	1	338.492	3.136	1	3	2	CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@]3(CCCOC3)C2)CC1
300270119	ZINC000353806435	low	8.45	-53.22	1	279.449	2.937	1	1	2	C[C@H]1C[N@H+](Cc2ccc(C(C)(C)C)cc2)CC[S@]1=O
349535852	ZINC000258957396	ref	6.76	-6.75	0	244.323	2.373	1	5	4	Cc1ccsc1CCNc1cc(C#N)ncn1
349535858	ZINC000258928471	ref	5.15	-8.56	0	234.274	2.228	1	3	5	COc1ccc(F)cc1CNCC1(C#N)CC1
349535865	ZINC000258928471	low	6.54	-46.36	1	234.274	2.228	1	2	5	COc1ccc(F)cc1C[NH2+]CC1(C#N)CC1
349535871	ZINC000258954024	ref	5.06	-41.63	-1	237.259	1.013	1	6	4	O=C([O-])c1cncnc1NCC1CCOCC1
365623097	ZINC000576544616	ref	8.9	-38.52	1	233.359	2.852	1	2	3	C=Cn1cc(C[N@H+]2C[C@@H](C)CC(C)(C)C2)cn1
178292611	ZINC000237014418	ref	6.97	-53.69	1	351.406	1.822	2	3	7	CC[NH2+]CCNC(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1
178292612	ZINC000237014967	ref	6.03	-47.27	1	367.515	1.789	1	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)c1
178292613	ZINC000237003993	ref	5.36	-54.31	1	359.348	1.524	2	3	5	CCN(Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1)C(=O)C(F)(F)F
349535876	ZINC000602431507	ref	7.09	-35.33	1	243.347	1.686	1	3	8	CCC[N@H+](CC(=O)OC)C[C@@](C)(OC)C1CC1
136228570	ZINC000182801032	ref	2.85	-7.75	0	248.326	1.984	3	2	6	C=CC[C@@H](CO)NC(=O)N[C@H](C)c1ccccc1
365623104	ZINC000576544616	mid	8.79	-38.96	1	233.359	2.852	1	2	3	C=Cn1cc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)cn1
365623109	ZINC000576544616	high	7.03	-5.15	0	233.359	2.852	0	3	3	C=Cn1cc(CN2C[C@@H](C)CC(C)(C)C2)cn1
168365311	ZINC000368505665	mid	9.12	-43.65	1	338.492	3.136	1	3	2	CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@]3(CCCOC3)C2)CC1
349535879	ZINC000602431507	mid	7.55	-33.35	1	243.347	1.686	1	3	8	CCC[N@@H+](CC(=O)OC)C[C@@](C)(OC)C1CC1
349535881	ZINC000602431507	mid	6.0	-5.07	0	243.347	1.686	0	4	8	CCCN(CC(=O)OC)C[C@@](C)(OC)C1CC1
342598480	ZINC000590816098	mid	7.81	-44.41	1	262.357	1.141	1	3	2	C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
365623114	ZINC000576544685	ref	7.17	-40.91	1	246.398	2.722	1	1	6	C[C@H]1CCN(CC[NH2+]C[C@H](C)c2ccccc2)C1
365623121	ZINC000576544685	low	9.61	-118.8	2	246.398	2.722	2	0	6	C[C@H]1CC[N@@H+](CC[NH2+]C[C@H](C)c2ccccc2)C1
349535884	ZINC000258945322	ref	6.93	-97.55	2	240.35	2.744	2	0	5	Cc1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1
342598481	ZINC000590816098	low	8.75	-78.58	2	262.357	1.141	1	2	2	C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
342598482	ZINC000590816098	low	8.53	-82.26	2	262.357	1.141	1	2	2	C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
178292615	ZINC000237003993	mid	4.01	-13.7	0	359.348	1.524	2	4	5	CCN(Cc1cccc(NC(=O)[C@@H]2CNCCO2)c1)C(=O)C(F)(F)F
282120351	ZINC000316522053	ref	4.95	-48.99	-1	327.402	2.058	1	5	8	CCC(CC)(CNS(=O)(=O)c1ccc(C(C)=O)cc1)C(=O)[O-]
282120354	ZINC000424384604	ref	6.69	-62.43	-1	344.389	2.073	1	6	8	CCC(CC)(CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]
185090184	ZINC000096075994	ref	7.15	-42.61	1	274.368	1.12	1	3	3	Cn1ccc(C(=O)N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)n1
185090185	ZINC000096075994	mid	7.23	-41.15	1	274.368	1.12	1	3	3	Cn1ccc(C(=O)N2CC[C@@]3(CC[N@H+]3CC3CC3)C2)n1
178292617	ZINC000237003766	ref	2.79	-49.1	1	353.488	1.717	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1
282120358	ZINC000424384604	high	6.47	-132.77	-2	344.389	2.073	0	6	8	CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])C(=O)[O-]
197597361	ZINC000162878244	ref	8.12	-52.78	-1	313.423	2.321	0	7	6	CC(C)(C)n1c(CC[C@H]2CCCO2)nnc1SCC(=O)[O-]
282120359	ZINC000137650285	ref	3.63	-57.7	-1	289.357	0.589	1	6	7	CCC(CC)(CNS(=O)(=O)c1cn(C)cn1)C(=O)[O-]
342598483	ZINC000590816098	high	5.78	-13.88	0	262.357	1.141	0	4	2	CN1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2)C1
136228571	ZINC000283256163	ref	3.55	-11.37	0	235.258	0.869	2	2	4	CC#CC(=O)N[C@H](CO)Cc1ccc(F)cc1
342598484	ZINC000616984769	ref	4.59	-12.86	0	290.429	1.305	0	3	5	CC[C@H](C)N(CC)C(=O)C1CCN(S(C)(=O)=O)CC1
219048629	ZINC000286550572	ref	4.59	-14.5	0	301.268	1.237	0	3	2	Cc1cc(C(=O)N2CCN(CC(F)(F)F)C(=O)C2)ccn1
342598485	ZINC000590816099	ref	7.78	-45.66	1	262.357	1.141	1	3	2	C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2)C1
178292618	ZINC000237003859	ref	3.03	-54.47	1	371.478	1.468	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1
212170300	ZINC000335492737	ref	5.31	-10.31	0	253.371	2.088	1	4	3	CC(C)n1cc(C(=O)N[C@@H]2CS[C@@H](C)C2)cn1
212170304	ZINC000335493081	ref	5.41	-19.07	0	290.392	2.039	2	4	3	C[C@H]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)CS1
219048631	ZINC000286550053	ref	3.7	-10.39	0	304.346	2.812	2	5	7	CC(C)c1cc(C(=O)Nc2ccc(OCCCO)cc2)no1
342598486	ZINC000590816099	mid	8.0	-41.84	1	262.357	1.141	1	3	2	C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2)C1
342598487	ZINC000590816099	low	8.48	-82.75	2	262.357	1.141	1	2	2	C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1
178292619	ZINC000237003859	high	2.63	-15.04	0	371.478	1.468	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1
178292620	ZINC000237010666	ref	5.02	-54.58	1	367.515	1.894	2	3	7	CCN(CC)S(=O)(=O)c1ccc([C@H](C)NC(=O)C2CC[NH2+]CC2)cc1
178292623	ZINC000237018020	ref	1.43	-53.59	1	367.265	1.354	2	4	8	CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(OC)cc1OC
178292625	ZINC000237010805	ref	7.62	-58.56	1	368.503	1.891	2	5	8	CC[NH2+]CC1CCN(C(=O)CS[C@H](C)C(=O)Nc2cc(C)on2)CC1
365623099	ZINC000625033518	ref	7.14	-19.3	0	307.438	2.36	1	2	4	CC(C)C[C@@H]1CCCN1C(=O)N[C@H]1CCN(C2CCC2)C1=O
185090187	ZINC000096075994	high	4.13	-10.47	0	274.368	1.12	0	4	3	Cn1ccc(C(=O)N2CC[C@@]3(CCN3CC3CC3)C2)n1
214190291	ZINC000278495871	ref	2.58	-44.81	1	322.405	1.783	3	4	8	COc1ccc(OC)c(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2CCO)c1
185090190	ZINC000096075977	ref	5.24	-36.9	1	287.407	2.15	1	3	5	COc1ncccc1CN1CC[C@]2(CC[N@@H+]2CC2CC2)C1
343994428	ZINC000139325927	ref	-0.94	-9.83	0	114.1	-0.721	1	3	0	O=C1CC[C@H](O)C1=O
178292626	ZINC000237015130	ref	5.9	-38.0	1	353.488	1.541	1	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]2C[NH2+]C)c1
178292628	ZINC000237003707	ref	2.79	-49.13	1	353.488	1.717	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1
178292629	ZINC000237015242	ref	5.18	-52.49	1	357.458	1.978	2	5	7	CCOCc1ccc(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1
178292632	ZINC000237009242	ref	7.19	-55.09	1	373.457	1.052	2	5	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH2+][C@@H](C)C3)cc(C(C)C)nc21
349535853	ZINC000621246297	mid	2.35	-5.53	0	281.747	2.334	1	6	3	CCn1ncc(Cl)c1-c1nc(C2(N)CCCC2)no1
282120356	ZINC000362063618	ref	8.25	-83.77	2	294.443	1.206	3	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1
178292634	ZINC000237009242	mid	5.93	-14.14	0	373.457	1.052	2	6	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN[C@@H](C)C3)cc(C(C)C)nc21
178292636	ZINC000237015217	ref	4.73	-53.29	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)c1
178292637	ZINC000237014669	ref	8.29	-67.52	-1	356.781	1.874	0	4	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccc(Cl)cc1F
136228572	ZINC000334511256	ref	5.74	-14.81	0	205.261	1.955	1	2	2	CCC1CN(C(=O)Nc2ccccn2)C1
178292639	ZINC000237005483	ref	2.38	-50.66	1	354.476	1.307	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]2CC[NH2+]C2)c1
343994431	ZINC000139325927	mid	-1.6	-7.94	0	114.1	-0.721	2	3	0	O=C1CCC(O)=C1O
168365312	ZINC000368508260	ref	7.5	-22.03	0	343.431	3.407	0	6	6	CC[C@H](C)CCC(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1
168365314	ZINC000368507875	ref	6.28	-10.74	0	341.48	3.362	1	4	5	Cc1ccc(-c2csc(CN3CCC[C@@H]3C(=O)NC3CC3)n2)cc1
398246619	ZINC000650864098	mid	5.86	-35.69	1	269.433	1.565	2	2	5	CCC[C@@H](NC(=O)CN1CC[NH+](C)CC1)C(C)(C)C
282120357	ZINC000301140951	ref	8.31	-14.68	0	320.356	2.703	1	7	2	Cc1nc2n(n1)C[C@@H](Nc1ncnc3c1oc1ccccc13)CC2
282120362	ZINC000342093886	ref	7.0	-10.0	0	277.759	2.37	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1nccc(C)c1Cl)CC2
365623102	ZINC000336542611	ref	4.19	-11.86	0	290.363	2.486	2	3	3	COc1ccc(CNC(=O)N2CC3(CCCC3)C2)cc1O
365623108	ZINC000336543408	ref	5.47	-11.96	0	289.31	2.375	1	4	3	C[C@@H]1C[C@@H](C(=O)Nc2ccc(-n3cccn3)c(F)c2)CO1
365623116	ZINC000336542790	ref	4.36	-43.73	1	258.243	2.314	2	1	2	Cc1c(NC(=O)[C@H]2CC[NH2+]2)cccc1C(F)(F)F
365623123	ZINC000336542790	high	2.66	-6.39	0	258.243	2.314	2	2	2	Cc1c(NC(=O)[C@H]2CCN2)cccc1C(F)(F)F
365623133	ZINC000336543080	ref	7.12	-33.59	1	296.455	2.403	2	2	3	C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@](C)(O)CC1
306234509	ZINC000557853551	ref	7.94	-46.73	1	348.472	1.821	1	4	3	C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
343994429	ZINC000625559348	ref	2.52	-7.95	0	220.338	0.985	1	2	6	C/C=C/CNS(=O)(=O)N(C)CC(C)C
365623142	ZINC000336543080	mid	6.9	-31.31	1	296.455	2.403	2	2	3	C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@](C)(O)CC1
398246623	ZINC000650864846	ref	4.73	-39.81	1	271.405	1.273	3	2	6	CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)CCO
365623149	ZINC000336543080	high	4.99	-7.2	0	296.455	2.403	1	3	3	C[C@H](C(=O)N(C)C1CCCCC1)N1CCC[C@@](C)(O)CC1
365623156	ZINC000336543422	ref	5.94	-10.92	0	254.374	2.197	0	2	3	CCN(CC)C(=O)N1CCC[C@@H]([C@H]2CCOC2)C1
365623162	ZINC000336543015	ref	9.26	-46.38	1	290.382	2.311	1	1	3	C[C@H](Cc1ccccc1F)C(=O)N1CC[NH+]2CCC1CC2
365623165	ZINC000336543015	high	7.55	-7.18	0	290.382	2.311	0	2	3	C[C@H](Cc1ccccc1F)C(=O)N1CCN2CCC1CC2
365623173	ZINC000336543101	ref	6.78	-46.43	1	256.349	2.113	2	1	2	O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[C@]12CC[NH2+]C2
365623178	ZINC000336542668	ref	5.03	-9.97	0	274.364	2.302	1	3	1	Nc1cccc(C(=O)N2CCC[C@@]3(CCCOC3)C2)c1
365623186	ZINC000336542687	ref	5.52	-40.84	1	252.745	2.221	1	1	3	C[C@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC[NH2+]1
398246625	ZINC000650864846	mid	3.99	-39.6	1	271.405	1.273	3	2	6	CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)[C@H](C)CCO
398246628	ZINC000650864846	high	2.69	-7.28	0	271.405	1.273	2	3	6	CCN1CCCC[C@H]1CNC(=O)N(C)[C@H](C)CCO
398246631	ZINC000650860761	ref	3.27	-12.53	0	287.262	1.703	1	4	6	COCCC(=O)NCCc1ccc2c(c1)OC(F)(F)O2
342083027	ZINC000625335666	ref	2.52	-12.26	0	293.429	1.68	1	4	10	CCC[C@H](CNS(=O)(=O)CC[C@H]1CCCO1)OCC
349535854	ZINC000594973919	ref	8.02	-54.4	1	286.379	2.501	1	4	6	CC(C)(C)OCCC[NH2+]Cc1cnc2ccc(C#N)cn12
197597362	ZINC000290105505	ref	1.54	-13.92	0	292.257	1.311	3	3	5	C[C@H](O)CN(CCO)C(=O)Nc1c(F)cc(F)cc1F
365623105	ZINC000625037421	ref	7.28	-21.69	0	321.446	2.085	1	3	5	CN(CCc1cccs1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
398246634	ZINC000650862921	ref	3.82	-13.83	0	292.326	1.48	1	3	5	O=C(NCCOC[C@@H]1CCOC1)N1CCCC(F)(F)C1
219048630	ZINC000097695935	ref	8.49	-45.63	-1	335.4	2.724	0	5	6	COc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2CC(C)C)cc1OC
219048632	ZINC000097694994	ref	4.97	-11.69	0	342.443	2.493	3	2	4	CCc1cccc2c(C3CCN(C(=O)[C@H](C)NC(N)=O)CC3)c[nH]c12
219048633	ZINC000097694839	ref	2.23	-10.98	0	329.4	1.231	1	5	4	Cc1nc(CN2CCN(C(=O)Cc3ccccc3)C[C@@H](O)C2)co1
219048635	ZINC000097694962	ref	2.27	-15.3	0	338.717	1.491	2	4	2	Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@H]1CCCCNC1=O
219048637	ZINC000097696111	ref	2.89	-16.66	0	328.347	1.875	3	4	5	O=C1C[C@@H](C(=O)NCCNc2cccnc2)c2cc(F)ccc2N1
168365591	ZINC000042290314	ref	2.98	-85.71	2	199.342	0.748	2	1	3	C[C@@H]([NH3+])[C@@H](C)N(C)C1CC[NH+](C)CC1
219048639	ZINC000097696243	ref	6.18	-39.51	1	349.479	0.996	3	6	6	CCOCC[N@@H+]1CCC2(CCN(c3nccc(N)n3)CC2)[C@@H](CO)C1
219048641	ZINC000097696243	mid	6.04	-39.55	1	349.479	0.996	3	6	6	CCOCC[N@H+]1CCC2(CCN(c3nccc(N)n3)CC2)[C@@H](CO)C1
282120360	ZINC000362063618	mid	7.42	-82.11	2	294.443	1.206	3	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1
219048643	ZINC000097696243	mid	6.49	-80.27	2	349.479	0.996	3	5	6	CCOCC[N@@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@@H](CO)C1
178305567	ZINC000011737079	low	7.55	-37.45	1	233.34	2.329	1	2	3	Cc1cc2[nH+]cn(CCC(N)=S)c2cc1C
342083028	ZINC000032619031	ref	2.74	-16.31	0	297.376	1.845	1	4	4	CCS(=O)(=O)c1ccc(NC(=O)C2CCOCC2)cc1
342083029	ZINC000625335748	ref	1.96	-10.61	0	286.397	1.752	2	4	8	CCC[C@H](CNS(=O)(=O)c1ccccc1N)OCC
342083030	ZINC000238060590	ref	5.17	-44.85	1	252.383	1.878	1	2	4	[NH3+]C[C@@H]1CCCN(C(=O)CCc2ccsc2)C1
342598488	ZINC000590816099	low	8.71	-78.29	2	262.357	1.141	1	2	2	C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](n2cc[nH+]c2)C1
282120361	ZINC000137650285	high	3.29	-132.66	-2	289.357	0.589	0	6	7	CCC(CC)(C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]
398246637	ZINC000650863113	ref	2.65	-13.76	0	294.33	1.162	3	4	6	Cc1cccc2nc(CNC(=O)N[C@H](CO)CCF)cn12
178292627	ZINC000052299225	ref	8.88	-10.57	0	231.339	3.533	0	2	1	Cc1cc2c(n1[C@@H]1C[C@H]1C)CC(C)(C)CC2=O
178292630	ZINC000038157566	ref	10.12	-37.68	1	243.375	3.634	1	1	1	Cc1cc2c(s1)C[N@H+](C)C[C@@H]2c1ccccc1
178292631	ZINC000038157566	mid	9.68	-38.7	1	243.375	3.634	1	1	1	Cc1cc2c(s1)C[N@@H+](C)C[C@@H]2c1ccccc1
282123570	ZINC000533474551	ref	3.04	-13.46	0	251.33	1.063	1	4	3	C[C@H](O)[C@@H]1CCCN(C(=O)[C@@H](C)n2cccn2)C1
178292633	ZINC000038157566	high	7.74	-2.93	0	243.375	3.634	0	2	1	Cc1cc2c(s1)CN(C)C[C@@H]2c1ccccc1
178292635	ZINC000065740353	ref	6.72	-11.63	0	246.36	3.901	2	3	0	Cc1cc2c(s1)Nc1ccccc1NC2=S
178292638	ZINC000049814691	ref	7.42	-4.71	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@@H](C)[C@H](C)CC2
178292640	ZINC000037118561	ref	8.58	-35.25	1	247.382	3.99	1	1	3	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H](C)C1CC1
178292641	ZINC000000495702	ref	8.7	-7.05	0	241.359	4.683	0	2	0	Cc1cc2c(sc3c(C)ccc(C)c32)c(C)n1
178292644	ZINC000000495702	low	9.08	-27.86	1	241.359	4.683	0	1	0	Cc1cc2c(sc3c(C)ccc(C)c32)c(C)[nH+]1
178292646	ZINC000027208097	ref	5.97	-8.09	0	221.285	1.378	1	4	0	Cc1cc2c(s1)N=C1NC(=O)[C@@H](C)N1C2
178292649	ZINC000027208097	high	4.83	-39.42	-1	221.285	1.378	0	4	0	Cc1cc2c(s1)N=C1[N-]C(=O)[C@@H](C)N1C2
178292650	ZINC000041726965	ref	6.25	-38.72	1	220.36	3.35	1	1	1	Cc1cc2c(n1C(C)C)CC(C)(C)C[C@@H]2[NH3+]
178292653	ZINC000036533436	ref	5.66	-5.48	0	225.089	2.644	0	2	0	Cc1cc2c(cnn2C)cc1Br
398246640	ZINC000650863113	low	3.09	-33.01	1	294.33	1.162	3	3	6	Cc1cccc2[nH+]c(CNC(=O)N[C@H](CO)CCF)cn12
212170486	ZINC000335492315	ref	9.07	-11.11	0	261.39	3.098	0	2	3	Cc1ccccc1SCC(=O)N1C[C@@H]2CCC[C@@H]21
398246643	ZINC000650863519	ref	5.64	-36.78	1	295.427	1.729	3	2	7	COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1(C2CCC2)CC1
398246646	ZINC000650863519	mid	6.15	-37.14	1	295.427	1.729	3	2	7	COCC[N@H+]1CCC[C@@H]1CNC(=O)NC1(C2CCC2)CC1
212170488	ZINC000335493302	ref	7.15	-8.14	0	286.297	3.241	1	2	2	Cc1cccnc1C(=O)N[C@@H]1CCCC[C@@H]1C(F)(F)F
212170493	ZINC000335492278	ref	8.51	-8.89	0	278.355	3.238	0	2	2	Cc1ccncc1C(=O)N1CC=C(c2ccccc2C)C1
342598489	ZINC000590816099	high	5.31	-11.14	0	262.357	1.141	0	4	2	CN1CCC[C@@H]1C(=O)N1CCC[C@H](n2ccnc2)C1
342598490	ZINC000590816818	ref	4.05	-12.5	0	277.299	1.699	2	3	7	C=CCOCCNC(=O)NCc1ccc(C#N)c(F)c1
342598491	ZINC000616984966	ref	7.1	-14.18	0	252.358	1.644	0	2	5	CC[C@@H](C)N(CC)C(=O)[C@H]1CC(=O)N(C2CC2)C1
342598492	ZINC000590816842	ref	5.19	-16.2	0	263.341	1.643	1	3	4	N#CCCCNC(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1
197597369	ZINC000290107362	ref	6.06	-9.21	0	289.4	3.217	2	3	4	Cc1cc(C(=O)N[C@H](C)[C@H](O)c2ccccc2)sc1C
342598493	ZINC000616985037	ref	9.29	-17.61	0	289.379	1.987	0	4	5	CC[C@@H](C)N(CC)C(=O)Cn1c(=O)n(C)c2ccccc21
342598494	ZINC000616985094	ref	6.97	-9.81	0	283.401	1.747	0	6	7	CC[C@H](C)N(CC)C(=O)CSc1nnnn1C1CC1
365623113	ZINC000625033816	ref	7.52	-12.36	0	318.425	2.331	1	6	7	CCOCCCn1c(-c2cn[nH]c2)nnc1N1CCC(C)(C)C1
342598495	ZINC000616985050	ref	6.3	-16.23	0	288.351	1.438	0	5	5	CC[C@H](C)N(CC)C(=O)Cn1nnc2ccccc2c1=O
342598496	ZINC000624159108	ref	4.53	-4.37	0	291.273	1.763	1	5	3	COc1cc(C(F)(F)F)nc(N[C@H]2CCOC[C@@H]2C)n1
342598497	ZINC000616985160	ref	9.63	-17.3	0	261.329	1.693	0	5	4	CC[C@H](C)N(CC)C(=O)c1nc2nccc(C)n2n1
306234510	ZINC000557853551	high	5.57	-14.48	0	348.472	1.821	0	5	3	C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
342598498	ZINC000616990351	ref	4.87	-39.88	1	297.443	1.385	3	2	4	CC(C)(C)C(=O)NCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342598499	ZINC000616990351	mid	4.81	-39.57	1	297.443	1.385	3	2	4	CC(C)(C)C(=O)NCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
349535856	ZINC000621245733	ref	2.32	-14.74	0	296.367	2.051	3	4	8	CCCNC(=O)NCCCc1cc(OC)c(O)c(OC)c1
306234511	ZINC000557853467	ref	3.72	-10.31	0	330.335	1.403	1	5	3	COc1cc(NC(=O)C(=O)N(C)C2CCC(F)(F)CC2)nn1C
185090192	ZINC000096075977	mid	5.22	-36.97	1	287.407	2.15	1	3	5	COc1ncccc1CN1CC[C@]2(CC[N@H+]2CC2CC2)C1
214176438	ZINC000293464948	ref	5.98	-53.95	1	368.437	0.59	2	3	2	O=C(CN1C(=O)N[C@]2(CCc3ccccc32)C1=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1
214176442	ZINC000293461987	ref	1.87	-14.73	0	374.39	0.184	1	6	4	COC(=O)c1cc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C(N)=O)C2)c(F)cc1C
306234512	ZINC000557845264	ref	2.6	-11.73	0	343.449	1.076	0	6	2	Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1
214176445	ZINC000293472512	ref	1.13	-12.56	0	361.395	0.823	2	5	7	CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N(C)CCF)cc1OC
136228573	ZINC000283264923	ref	3.78	-13.67	0	245.204	1.078	1	3	2	CC#CC(=O)NCc1cn(C)nc1C(F)(F)F
178292642	ZINC000237005330	ref	4.31	-55.94	1	370.457	1.442	3	5	6	CCc1cccc(NC(=O)CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1
365623117	ZINC000565299603	ref	5.33	-14.28	0	282.307	1.022	0	6	2	N#Cc1ccc(C(=O)N2CCC[C@@H](n3ccnn3)C2)nc1
282120363	ZINC000362083596	ref	8.79	-43.13	1	323.387	2.414	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2c(F)cccc2F)C1
290009735	ZINC000458859543	ref	4.45	-8.86	0	272.364	2.071	2	2	4	O=C(N[C@@H]1CCC[C@@H]1F)N1CCC(CCCO)CC1
365623140	ZINC000565300886	ref	6.25	-34.39	0	278.308	1.911	1	4	3	O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1
178292643	ZINC000237016929	ref	3.7	-54.71	1	353.488	1.574	2	3	8	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@](C)(C[NH3+])C2CC2)c1
398246639	ZINC000649444166	ref	3.83	-5.23	0	217.15	2.392	1	3	1	Cc1oncc1-c1cc(C(F)(F)F)[nH]n1
219048634	ZINC000286549211	ref	9.04	-10.01	0	322.767	3.152	0	2	2	O=C1[C@@H]2CCCCN2C(=O)N1[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1
365623154	ZINC000565300886	mid	6.2	-39.42	0	278.308	1.911	1	4	3	O=[N+]([O-])c1ccc([O-])cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1
365623161	ZINC000565300886	low	5.48	-36.47	1	278.308	1.911	2	4	3	O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1
365623172	ZINC000565300886	low	5.43	-42.47	1	278.308	1.911	2	4	3	O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1
178292645	ZINC000237013282	ref	8.28	-65.58	-1	356.781	1.874	0	4	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc(Cl)ccc1F
178292647	ZINC000237015042	ref	4.79	-57.05	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)c1
178292648	ZINC000237009197	ref	1.9	-54.46	1	356.492	1.825	3	4	9	CCC[C@@H]([NH3+])C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC
398246641	ZINC000649444166	mid	3.76	-6.7	0	217.15	2.392	1	3	1	Cc1oncc1-c1cc(C(F)(F)F)n[nH]1
398246644	ZINC000649444249	ref	0.66	-6.84	0	249.217	2.561	1	4	2	COc1nc(-c2cc(C(F)(F)F)[nH]n2)cs1
178292651	ZINC000237009197	high	1.57	-17.49	0	356.492	1.825	3	5	9	CCC[C@@H](N)C(=O)Nc1cc(S(=O)(=O)N(CC)CC)ccc1NC
178292652	ZINC000237003485	ref	4.12	-52.78	1	373.906	1.852	2	3	6	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2CCC[NH2+]C2)c1
178292654	ZINC000237004049	ref	2.89	-52.12	1	353.488	1.574	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1
398246647	ZINC000649444249	mid	0.64	-8.99	0	249.217	2.561	1	4	2	COc1nc(-c2cc(C(F)(F)F)n[nH]2)cs1
342598500	ZINC000616985161	ref	3.73	-12.54	0	298.408	1.855	1	3	6	CC[C@@H](C)N(CC)C(=O)c1ccc(S(=O)(=O)NC)cc1
219048636	ZINC000286550059	ref	5.43	-7.8	0	307.806	3.376	2	5	5	CCc1ccc([C@H](O)CNc2nc(Cl)c(C#N)s2)cc1
214176443	ZINC000053303479	ref	5.54	-37.27	1	338.496	1.65	3	2	4	C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1
214176446	ZINC000053303479	mid	5.45	-36.89	1	338.496	1.65	3	2	4	C[C@H]1C[C@@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCN(C(N)=O)C2)C1
214176449	ZINC000053299604	ref	5.37	-49.83	1	331.185	1.789	1	2	4	O=C(CCOc1ccc(Br)cc1F)N1CC[NH2+]CC1
342598501	ZINC000616990347	ref	4.18	-40.54	1	291.395	1.94	2	3	4	COc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342598502	ZINC000616990347	mid	4.12	-40.2	1	291.395	1.94	2	3	4	COc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
178292656	ZINC000237005500	ref	6.63	-51.12	1	351.878	1.927	1	2	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
178292658	ZINC000237005500	high	6.35	-10.97	0	351.878	1.927	1	3	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
365623125	ZINC000625037849	ref	7.47	-20.5	0	305.422	2.138	1	2	4	CN(C[C@@H]1CC=CCC1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365623134	ZINC000625036952	ref	5.83	-17.48	0	307.438	2.265	2	2	4	C[C@@H]1CCC[C@@H](CNC(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
214176452	ZINC000053299604	mid	4.08	-7.4	0	331.185	1.789	1	3	4	O=C(CCOc1ccc(Br)cc1F)N1CCNCC1
197597383	ZINC000290104746	ref	2.9	-10.02	0	250.302	1.665	0	6	5	CC[C@](C)(OC)c1noc(Cc2ccnn2C)n1
342598503	ZINC000590814721	ref	2.91	-13.4	0	297.318	1.117	2	5	5	O=C(CNC(=O)c1ccncc1)Nc1cnc(C2CC2)nc1
342598504	ZINC000616984967	ref	6.97	-14.61	0	252.358	1.644	0	2	5	CC[C@H](C)N(CC)C(=O)[C@H]1CC(=O)N(C2CC2)C1
187169754	ZINC000125096948	high	6.32	-8.46	0	276.384	2.338	1	3	2	Cc1cccc(NC(=O)N2CCCN(C(C)C)CC2)n1
342598505	ZINC000590816309	ref	6.78	-13.42	0	285.347	1.995	1	4	3	O=C(Cc1ccccc1O)N1CCC[C@@H](n2ccnc2)C1
197597390	ZINC000290104971	ref	4.71	-9.78	0	262.309	3.017	0	5	5	CC[C@](C)(OC)c1noc(-c2ccccc2OC)n1
185386274	ZINC000096746492	ref	6.43	-53.64	-1	314.382	1.613	1	5	4	CC[C@@H](NC(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-]
342598506	ZINC000590816309	low	7.49	-38.0	1	285.347	1.995	1	3	3	O=C(Cc1ccccc1O)N1CCC[C@@H](n2cc[nH+]c2)C1
342598507	ZINC000590815097	ref	7.09	-18.19	0	289.31	1.873	0	4	4	C[C@H](Oc1ccccc1F)C(=O)N1CC(n2cccn2)C1
219048638	ZINC000286548592	ref	9.58	-10.86	0	324.783	3.255	0	2	4	CC(C)CN1CC(=O)N([C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)C1=O
365623128	ZINC000576544685	low	9.62	-118.99	2	246.398	2.722	2	0	6	C[C@H]1CC[N@H+](CC[NH2+]C[C@H](C)c2ccccc2)C1
178292660	ZINC000237004065	ref	3.15	-11.82	0	359.348	1.524	2	4	5	CCN(Cc1cccc(NC(=O)[C@@H]2COCCN2)c1)C(=O)C(F)(F)F
178292661	ZINC000237004065	low	4.51	-41.8	1	359.348	1.524	2	3	5	CCN(Cc1cccc(NC(=O)[C@@H]2COCC[NH2+]2)c1)C(=O)C(F)(F)F
178292664	ZINC000237003547	ref	6.36	-40.91	1	360.458	1.201	2	4	6	CCOc1cccnc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
178292666	ZINC000237003446	ref	5.88	-41.67	1	360.458	1.201	2	4	6	CCOc1cccnc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178292667	ZINC000237016473	ref	4.31	-55.65	1	353.488	1.447	2	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@H]2CCC[NH2+]C2)c1
178292671	ZINC000237013820	ref	5.59	-54.03	1	358.486	1.013	2	3	7	CCc1ccccc1N1C[C@@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O
178292674	ZINC000237015651	ref	4.91	-58.15	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1
185090194	ZINC000096075977	high	2.09	-5.84	0	287.407	2.15	0	4	5	COc1ncccc1CN1CC[C@]2(CCN2CC2CC2)C1
185090196	ZINC000096075956	ref	5.17	-40.07	1	289.379	1.327	1	3	4	COCC[N@@H+]1CC[C@@]12CCN(C(=O)c1ccc(C)nc1)C2
178292678	ZINC000237015651	high	3.67	-15.04	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@H](C)NC[C@H]2C)c1
178292679	ZINC000237004386	ref	3.73	-55.47	1	353.488	1.586	2	3	5	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1
185090197	ZINC000096075956	mid	5.24	-43.21	1	289.379	1.327	1	3	4	COCC[N@H+]1CC[C@@]12CCN(C(=O)c1ccc(C)nc1)C2
185090199	ZINC000096075956	mid	2.12	-9.26	0	289.379	1.327	0	4	4	COCCN1CC[C@@]12CCN(C(=O)c1ccc(C)nc1)C2
178292680	ZINC000237004386	high	2.49	-11.92	0	353.488	1.586	2	4	5	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1
178292683	ZINC000237017877	ref	2.63	-51.26	1	351.266	1.654	2	3	7	CC[NH2+]CCNS(=O)(=O)c1cc(Br)c(C)cc1OC
178292689	ZINC000237016038	ref	4.86	-55.94	1	367.515	1.837	2	3	8	CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC[C@H]2CCC[NH2+]C2)c1
185090200	ZINC000096075709	ref	3.07	-41.28	1	250.346	0.991	2	4	3	Cn1cc(NC[C@H]2CO[C@@]3(CCC[NH2+]C3)C2)cn1
178292692	ZINC000237014610	ref	4.12	-55.31	1	353.488	1.528	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC(C[NH3+])CC2)c1
398246649	ZINC000650863519	high	3.3	-7.71	0	295.427	1.729	2	3	7	COCCN1CCC[C@@H]1CNC(=O)NC1(C2CCC2)CC1
342598508	ZINC000616984870	ref	4.29	-10.2	0	255.362	1.424	1	2	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCCN(C(N)=O)C1
365623132	ZINC000576551227	ref	6.96	-4.37	0	236.359	4.046	0	3	7	C=C(C)CCc1noc([C@@](C)(CC)CCC)n1
365623137	ZINC000576542810	ref	5.73	-39.64	1	238.335	1.375	2	4	7	COCc1cc(N[C@@H](C)CC[NH+](C)C)ncn1
398246653	ZINC000650860584	ref	3.29	-13.4	0	299.273	1.703	1	4	4	CC1(C(=O)NCCc2ccc3c(c2)OC(F)(F)O3)COC1
398246656	ZINC000650864188	ref	3.36	-14.31	0	287.363	1.279	3	2	4	NC(=O)[C@H]1C[C@@H](NC(=O)NC[C@H]2CCc3ccccc32)C1
199273186	ZINC000181266221	ref	4.31	-27.48	0	303.322	0.416	2	6	2	CC(C)(C)NC(=O)NC(=O)Cn1cnc2cnccc2c1=O
342083031	ZINC000625335718	ref	2.65	-14.25	0	290.385	1.608	1	5	9	CCC[C@@H](CNS(=O)(=O)Cc1cc(C)no1)OCC
214176447	ZINC000278475670	ref	4.03	-14.06	0	311.363	1.53	0	8	8	COCCn1ccc(C(=O)O[C@@H](COC)c2nccs2)n1
214176450	ZINC000278475485	ref	7.56	-40.37	1	305.43	1.866	3	6	7	CC(C)[NH+](CCCNc1nc(N)c2cnn(C)c2n1)C(C)C
214176453	ZINC000278475485	low	7.97	-89.46	2	305.43	1.866	3	5	7	CC(C)[NH+](CCCNc1nc2c(cnn2C)c(N)[nH+]1)C(C)C
342083032	ZINC000625335718	high	2.27	-44.19	-1	290.385	1.608	0	5	9	CCC[C@@H](C[N-]S(=O)(=O)Cc1cc(C)no1)OCC
178305570	ZINC000130905596	ref	8.72	-8.01	0	232.327	3.078	0	3	4	Cc1cc2ncn(CCOC(C)C)c2cc1C
342083033	ZINC000625335736	ref	1.34	-10.27	0	267.391	1.146	1	4	10	CCC[C@@H](CNS(=O)(=O)[C@H](C)COC)OCC
342083034	ZINC000625335665	ref	2.02	-9.44	0	281.418	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)[C@H](C)CCOC)OCC
342083035	ZINC000238052221	ref	3.54	-55.51	1	290.363	1.593	2	3	5	[NH3+]CC1(C(=O)NCCc2ccc3c(c2)OCO3)CCCC1
342083036	ZINC000238061673	ref	5.47	-41.01	-1	283.246	1.421	0	4	5	O=C([O-])CCN(C(=O)CC(F)(F)F)C1CCOCC1
342083037	ZINC000238062296	ref	5.01	-49.86	1	279.409	1.512	1	3	5	[NH3+]C[C@@H]1CCCN(C(=O)CSCc2ccccn2)C1
342083038	ZINC000048305850	ref	6.78	-14.3	0	275.308	1.653	0	4	3	O=C(C1CC1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
342083039	ZINC000625335546	ref	4.16	-36.41	1	258.406	1.487	3	2	7	CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCC(C)(C)C
342083040	ZINC000625335546	mid	4.13	-35.89	1	258.406	1.487	3	2	7	CC(C)C[C@H](CO)[N@@H+](C)CC(=O)NCC(C)(C)C
342083041	ZINC000625335546	mid	2.71	-8.67	0	258.406	1.487	2	3	7	CC(C)C[C@H](CO)N(C)CC(=O)NCC(C)(C)C
342083042	ZINC000238049085	ref	7.41	-49.95	1	297.362	1.116	2	4	4	O=C(NCc1nncn1C1CC1)[C@@H]1[NH2+]CCc2ccccc21
365623135	ZINC000641590328	ref	5.26	-12.31	0	279.286	1.661	1	2	2	O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1C[C@H]2C[C@@]2(O)C1
349535857	ZINC000093298278	mid	4.31	-33.44	1	268.357	0.786	2	3	3	COC(=O)C(C)(C)[C@H]1CCC[N@H+]([C@@H]2CCNC2=O)C1
365623139	ZINC000641590445	ref	5.54	-10.93	0	275.323	1.912	1	2	2	O=C([C@@H]1CC[C@@H]1c1ccc(F)cc1)N1C[C@H]2C[C@@]2(O)C1
185090202	ZINC000096075834	ref	4.93	-16.25	0	289.379	2.068	2	2	3	CCN1C(=O)CCC12CCC(NC(=O)c1ccc[nH]1)CC2
342088516	ZINC000621363644	mid	5.44	-38.56	1	277.364	1.777	2	3	3	C[C@@H]1CC[N@@H+](C[C@@H]2COc3ccccc3O2)C[C@H]1CO
365623148	ZINC000641590752	ref	3.9	-9.96	0	257.337	1.744	2	4	6	Cc1cccc(CCCNc2cc(CO)ccn2)n1
365638817	ZINC000625088376	ref	4.25	-6.11	0	305.418	2.326	3	3	8	COc1ccccc1C[N@H+](C[C@H](O)CC1(O)CCC1)C1CC1
214176448	ZINC000293472512	high	1.2	-46.27	-1	361.395	0.823	1	5	7	CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N(C)CCF)cc1OC
365638819	ZINC000625088376	mid	6.52	-30.73	1	305.418	2.326	3	3	8	COc1ccccc1C[N@@H+](C[C@H](O)CC1(O)CCC1)C1CC1
365638820	ZINC000625088376	mid	4.25	-6.11	0	305.418	2.326	2	4	8	COc1ccccc1CN(C[C@H](O)CC1(O)CCC1)C1CC1
365638822	ZINC000625086905	ref	2.5	-9.28	0	313.41	2.138	2	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@@H](CO)CC1CC1
349535859	ZINC000093298278	mid	2.64	-13.73	0	268.357	0.786	1	4	3	COC(=O)C(C)(C)[C@H]1CCCN([C@@H]2CCNC2=O)C1
349535862	ZINC000093292493	ref	3.25	-54.27	1	284.404	0.683	4	2	6	CC(C)NC(=O)CCNC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1
365638824	ZINC000625088374	ref	2.69	-6.11	0	305.418	2.326	3	3	8	COc1ccccc1C[N@H+](C[C@@H](O)CC1(O)CCC1)C1CC1
185090204	ZINC000096075199	ref	4.75	-32.94	1	251.399	2.203	1	3	2	C[N@@H+]1CCCC12CCN(Cc1nccs1)CC2
178305574	ZINC000130905596	low	9.2	-31.62	1	232.327	3.078	0	2	4	Cc1cc2[nH+]cn(CCOC(C)C)c2cc1C
342088517	ZINC000621363644	high	3.21	-8.2	0	277.364	1.777	1	4	3	C[C@@H]1CCN(C[C@@H]2COc3ccccc3O2)C[C@H]1CO
342088518	ZINC000121412362	ref	5.01	-45.9	1	277.29	1.208	2	3	4	Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)cn1
342088519	ZINC000121412362	mid	4.69	-45.99	1	277.29	1.208	2	3	4	Cn1cc(C[C@@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)cn1
342088520	ZINC000121412362	high	2.16	-7.35	0	277.29	1.208	1	4	4	Cn1cc(C[C@@H]2CCN(C[C@H](O)C(F)(F)F)C2)cn1
342088521	ZINC000034238013	ref	5.35	-12.63	0	272.322	1.652	0	5	5	CC(=O)O[C@@H](C)COS(=O)(=O)c1ccc(C)cc1
342088522	ZINC000121508501	ref	4.58	-49.49	-1	281.262	1.376	1	4	4	Cn1cncc1CCNC(=O)c1cc(F)c([O-])c(F)c1
197597402	ZINC000162874854	ref	6.8	-13.86	0	324.471	2.048	0	5	4	O=C(CSCc1ccccn1)N1CCS[C@H]2COCC[C@H]21
185090206	ZINC000096075199	mid	4.75	-33.09	1	251.399	2.203	1	3	2	C[N@H+]1CCCC12CCN(Cc1nccs1)CC2
197597404	ZINC000162875551	ref	1.26	-22.36	0	302.334	1.879	2	4	2	Cc1nc2cc(NC(=O)N[C@H]3CCC(=O)N(C)C3)ccc2o1
219048640	ZINC000286549352	ref	4.99	-10.87	0	302.378	2.171	2	4	3	Cc1noc(C)c1C(C)(C)NC(=O)[C@H]1CCc2c[nH]nc2C1
219048642	ZINC000286549116	ref	7.02	-10.49	0	303.402	2.838	1	3	5	CCOC1CC(C(=O)N[C@@H]2CCO[C@@H](c3ccccc3)C2)C1
342598509	ZINC000590816352	ref	8.02	-10.93	0	299.378	1.821	0	5	3	CN(C)c1ccnc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1
342598510	ZINC000590816352	low	8.71	-38.68	1	299.378	1.821	0	4	3	CN(C)c1ccnc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1
178292665	ZINC000002540008	ref	7.91	-9.72	0	249.31	3.099	0	4	0	Cc1cc2c(n1C(=O)OC(C)(C)C)CCCC2=O
342598511	ZINC000590814699	ref	5.43	-9.94	0	296.252	1.994	0	4	2	O=C(c1ccc(C(F)(F)F)cn1)N1CC(n2cccn2)C1
342598512	ZINC000590815889	ref	7.34	-19.27	0	293.367	1.242	0	5	5	O=C(COC[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
342598513	ZINC000590815889	low	8.05	-41.45	1	293.367	1.242	0	4	5	O=C(COC[C@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
342598514	ZINC000590815247	ref	4.51	-14.76	0	294.314	1.422	1	5	2	O=C(c1cnc2ccccc2c1O)N1CC(n2cccn2)C1
197597419	ZINC000162866504	ref	10.17	-15.92	0	320.345	2.0	0	5	7	CCOC(=O)CN(C(=O)Cc1cccc([N+](=O)[O-])c1C)C1CC1
342598515	ZINC000590815247	mid	5.77	-29.41	0	294.314	1.422	1	4	2	O=C(c1c[nH]c2ccccc2c1=O)N1CC(n2cccn2)C1
197597424	ZINC000162862572	ref	3.21	-18.48	0	324.396	1.916	3	3	6	C[C@H](NC(=O)CCNC(=O)C(C)(C)C)[C@H](O)c1ccc(F)cc1
342598516	ZINC000590815247	high	5.34	-48.9	-1	294.314	1.422	0	4	2	O=C(c1c[n-]c2ccccc2c1=O)N1CC(n2cccn2)C1
197597426	ZINC000162877803	ref	5.31	-8.25	0	314.341	2.127	1	4	2	Cc1ccc([C@@H]2CN(C(=O)C(=O)Nc3ccccc3)CCO2)o1
197597431	ZINC000162877247	ref	6.49	-14.67	0	318.417	2.592	1	3	6	CC(C)C[C@H]1CCCCN1C(=O)COc1ccc(C(N)=O)cc1
230233987	ZINC000331056822	mid	-2.28	-20.6	0	275.334	-1.261	2	6	5	CNS(=O)(=O)CCCN1CCn2c(n[nH]c2=O)C1
230233990	ZINC000331105089	ref	-1.11	-11.59	0	265.26	-1.185	2	4	5	CN1CCO[C@H](C(=O)NCC(=O)NCC(F)F)C1
230233995	ZINC000331105089	mid	1.3	-46.87	1	265.26	-1.185	3	3	5	C[N@@H+]1CCO[C@H](C(=O)NCC(=O)NCC(F)F)C1
398246650	ZINC000649444246	ref	4.81	-9.72	0	217.154	1.224	1	4	1	Cn1cnnc1-c1cc(C(F)(F)F)[nH]n1
214176451	ZINC000293463687	ref	3.28	-51.46	1	374.434	0.656	3	5	5	COC(=O)c1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(C)cc1F
214176455	ZINC000293463687	mid	0.91	-14.61	0	374.434	0.656	2	6	5	COC(=O)c1cc(S(=O)(=O)NCC2(O)CCN(C)CC2)c(C)cc1F
214176457	ZINC000293467043	ref	7.91	-22.14	0	356.386	0.374	2	6	3	Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)Nc3ncn(C)n3)C2=O)cc1
214176463	ZINC000293466061	ref	4.18	-21.7	0	359.434	0.212	0	8	5	COCCn1nnc2c1CCN([C@@H]1CCCN(c3ccn(C)n3)C1=O)C2
214176465	ZINC000293474993	ref	-2.39	-22.29	0	359.329	0.255	4	5	8	CC[C@H](O)CNC(=O)C(=O)Nc1cc(C(N)=O)ccc1OCC(F)F
214176468	ZINC000293465212	ref	1.63	-11.35	0	371.821	0.945	3	5	8	CCOCCOc1c(Cl)cccc1NC(=O)C(=O)N[C@@H](C)C(=O)NC
214176472	ZINC000293463044	ref	7.74	-31.62	0	363.805	0.907	1	6	6	Cn1cnnc1COCC(=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1=O
214176476	ZINC000293474748	ref	5.7	-17.84	0	361.398	0.92	1	6	3	COC(=O)c1cc(NC(=O)C(=O)N2C[C@]3(CCCO3)[C@@H]2C2CC2)cn1C
342083043	ZINC000238049085	mid	6.24	-11.82	0	297.362	1.116	2	5	4	O=C(NCc1nncn1C1CC1)[C@@H]1NCCc2ccccc21
214176481	ZINC000293472958	ref	1.39	-30.74	0	370.768	0.802	3	6	8	O=C(Cn1cc(NC(=O)COc2ccc(Cl)c(F)c2)cn1)NCCO
282120364	ZINC000424367504	ref	4.57	-58.65	-1	329.422	1.389	1	6	7	CCC(CC)(CNS(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]
398246652	ZINC000649444246	mid	4.69	-11.79	0	217.154	1.224	1	4	1	Cn1cnnc1-c1cc(C(F)(F)F)n[nH]1
398246655	ZINC000649444330	ref	8.13	-9.26	0	216.28	3.081	0	2	3	C=C(C)c1ccc(C(=O)[C@@H]2CCCO2)cc1
398246658	ZINC000649444189	ref	2.78	-6.16	0	234.206	2.255	1	4	1	Cc1nsc(-c2cc(C(F)(F)F)[nH]n2)n1
282120366	ZINC000424367504	high	4.33	-132.53	-2	329.422	1.389	0	6	7	CCC(CC)(C[N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]
282120367	ZINC000424396200	ref	4.49	-40.98	-1	339.335	2.273	1	4	7	CCC(CC)(CNS(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-]
282120370	ZINC000424396200	mid	4.37	-115.82	-2	339.335	2.273	0	4	7	CCC(CC)(C[N-]S(=O)(=O)c1cc(F)c(F)cc1F)C(=O)[O-]
282120371	ZINC000424367810	ref	3.32	-53.98	-1	289.353	1.757	1	5	7	CCC(CC)(CNS(=O)(=O)c1ccc(C)o1)C(=O)[O-]
349535860	ZINC000594973726	ref	7.26	-49.24	1	256.349	2.773	1	2	5	C=CCC1([NH2+]Cc2cccc(C#N)c2)CCOCC1
398246661	ZINC000649444189	mid	2.78	-4.9	0	234.206	2.255	1	4	1	Cc1nsc(-c2cc(C(F)(F)F)n[nH]2)n1
219048644	ZINC000097696243	mid	6.36	-82.32	2	349.479	0.996	3	5	6	CCOCC[N@H+]1CCC2(CCN(c3nc(N)cc[nH+]3)CC2)[C@@H](CO)C1
185090208	ZINC000096075815	ref	3.01	-13.0	0	277.324	1.304	2	4	2	Cc1cc(C(=O)NC2CCC3(CCC(=O)N3)CC2)no1
185090209	ZINC000096076013	ref	1.51	-13.87	0	290.367	0.062	1	4	3	CNC(=O)CN1CC[C@@]12CCN(C(=O)c1cccn1C)C2
219048646	ZINC000097696202	ref	9.18	-46.02	1	341.43	3.404	2	2	5	Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)cnc1C
219048648	ZINC000097696202	mid	7.07	-9.57	0	341.43	3.404	1	3	5	Cc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCCC2)cnc1C
343994430	ZINC000079934079	low	10.35	-39.72	1	298.39	2.01	0	3	4	CN(c1ccccc1)C1CCN(C(=O)Cn2cc[nH+]c2)CC1
185090212	ZINC000096076013	low	4.52	-42.49	1	290.367	0.062	2	3	3	CNC(=O)C[N@@H+]1CC[C@@]12CCN(C(=O)c1cccn1C)C2
185090213	ZINC000096076013	low	4.53	-47.36	1	290.367	0.062	2	3	3	CNC(=O)C[N@H+]1CC[C@@]12CCN(C(=O)c1cccn1C)C2
219048652	ZINC000097696329	ref	7.04	-15.48	0	327.388	0.936	1	6	3	O=C(c1cccn1C1CC1)N1CCN(c2ncccn2)C[C@@H](O)C1
185090215	ZINC000096075203	ref	8.93	-42.94	1	272.392	2.316	1	1	2	C[N@@H+]1CCCC12CCN(C(=O)Cc1ccccc1)CC2
185090217	ZINC000096075203	mid	8.94	-42.58	1	272.392	2.316	1	1	2	C[N@H+]1CCCC12CCN(C(=O)Cc1ccccc1)CC2
342083044	ZINC000608889027	ref	5.29	-20.74	0	288.351	1.824	3	4	4	CCNC(=O)NC(=O)[C@@H](C)Nc1cccc2c1ccn2C
342083045	ZINC000238041675	ref	3.38	-45.23	1	290.363	1.591	2	3	4	[NH3+][C@H]1CCC[C@H](C(=O)NCCc2ccc3c(c2)OCO3)C1
342083046	ZINC000625334797	ref	5.51	-10.81	0	294.317	1.698	0	3	5	CCCN(CC(F)(F)F)C(=O)CN1CCC(=O)[C@@H](C)C1
342083047	ZINC000625335832	ref	5.42	-19.68	0	297.358	1.514	1	3	3	CC[C@H]1C(=O)NCCN1C(=O)Cc1cccc2cnccc12
342083048	ZINC000238066163	ref	6.92	-42.16	-1	297.376	1.773	0	5	6	O=C([O-])CCN(C(=O)Cc1ccsc1)C1CCOCC1
178292681	ZINC000082787211	ref	7.7	-8.87	0	259.305	2.955	0	4	4	CCOC(=O)C(C)(C)Oc1ccc2ccncc2c1
219048654	ZINC000097695354	ref	7.45	-31.15	0	332.425	2.304	1	4	7	Cc1cccc(OC[C@@H](C)NC(=O)CSc2cccc[n+]2[O-])c1
342083049	ZINC000402861046	ref	7.42	-13.28	0	263.337	1.61	0	3	2	COC(=O)[C@H]1CCN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C1
282120365	ZINC000342093886	low	7.34	-38.51	1	277.759	2.37	1	4	2	Cc1nc2n(n1)C[C@@H](Nc1[nH+]ccc(C)c1Cl)CC2
343994435	ZINC000079932446	ref	8.73	-32.65	0	263.337	2.38	1	3	4	COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1
178292669	ZINC000000063342	ref	8.08	-13.43	0	226.235	2.869	0	3	1	Cc1cc2c(cc1[N+](=O)[O-])-c1ncccc1C2
365623136	ZINC000617383426	ref	-1.64	-13.58	0	281.312	0.015	3	4	4	NC(=O)N[C@@H](CO)C(=O)N1CCC(c2ccco2)CC1
178292673	ZINC000005394284	ref	8.2	-5.31	0	247.75	4.72	0	2	0	Cc1cc2c(sc3ccc(Cl)cc32)c(C)n1
185386275	ZINC000096749123	ref	4.03	-13.12	0	302.277	3.423	1	4	3	COc1cccc(NC(=O)c2scnc2C(F)(F)F)c1
178292676	ZINC000036358946	ref	7.46	-12.38	0	244.258	-0.055	0	7	1	Cc1cc2c(cnc3ncnn32)c(=O)n1N(C)C
178292682	ZINC000004051899	ref	7.83	-16.81	0	205.217	2.098	0	4	1	Cc1cc2c(ncn2C)c([N+](=O)[O-])c1C
178292684	ZINC000104052011	ref	5.94	-38.99	1	249.354	2.98	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CCOC1
365623144	ZINC000617376833	ref	3.91	-18.11	0	294.351	0.406	1	5	6	COC[C@H](NC(=O)Cn1ccccc1=O)C1CCOCC1
178292686	ZINC000104052011	high	4.96	-4.61	0	249.354	2.98	1	3	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CCOC1
365623153	ZINC000617383601	ref	1.68	-12.56	0	291.307	0.584	2	4	3	O=C1NC(=O)[C@H](CC(=O)N2CCC(c3ccco3)CC2)N1
365623163	ZINC000617383601	high	-0.13	-43.69	-1	291.307	0.584	1	4	3	O=C1[N-]C(=O)[C@H](CC(=O)N2CCC(c3ccco3)CC2)N1
365623169	ZINC000617386924	ref	1.83	-12.28	0	298.364	0.807	1	4	3	NS(=O)(=O)C1(C(=O)N2CCC(c3ccco3)CC2)CC1
365623177	ZINC000617373676	ref	3.1	-10.02	0	259.346	0.969	1	4	7	CC[C@H](OC)C(=O)N[C@H](COC)C1CCOCC1
178292688	ZINC000049814707	ref	7.42	-4.52	0	209.72	4.044	0	1	0	Cc1cc2c(nc1Cl)[C@@H](C)CC[C@@H]2C
365623185	ZINC000617374748	ref	2.16	-11.82	0	284.356	0.023	1	4	5	COC[C@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1CCOCC1
365623192	ZINC000617386963	ref	1.62	-23.35	0	298.364	0.677	1	4	2	O=C([C@H]1CCS(=O)(=O)N1)N1CCC(c2ccco2)CC1
178292691	ZINC000001758678	ref	9.97	-5.42	0	247.338	4.252	0	2	1	Cc1cc2c(cc1[N+](=O)[O-])C(C)(C)CCC2(C)C
365623200	ZINC000617383429	ref	-1.63	-14.23	0	281.312	0.015	3	4	4	NC(=O)N[C@H](CO)C(=O)N1CCC(c2ccco2)CC1
398246651	ZINC000076769131	high	6.31	-4.76	0	249.379	2.804	1	3	5	CSC[C@H](C)NCC1=Cc2ccccc2OC1
398246654	ZINC000076768970	ref	3.81	-41.42	1	238.356	1.627	2	2	6	CSC[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1
178292702	ZINC000217675369	ref	3.7	-45.91	0	236.271	0.544	2	4	1	Cc1cc2c(o1)[C@@H]1C[N@@H+](C)C[C@@]1(C(=O)[O-])NC2
290009737	ZINC000458858977	ref	5.03	-6.52	0	272.389	2.014	1	3	8	CCOC1(CNC(=O)N(CC)CCOC)CCCC1
365623207	ZINC000617376036	ref	5.68	-17.07	0	296.367	0.943	0	4	6	CCOC1CCN(C(=O)CCCN2C(=O)CCC2=O)CC1
219048645	ZINC000286550024	ref	5.25	-14.91	0	317.374	2.373	0	7	2	Cc1noc([C@H]2CCCN2C(=O)c2sc3nccn3c2C)n1
342083050	ZINC000238061188	ref	6.65	-54.64	-1	269.341	1.659	0	4	5	O=C([O-])CCN(C(=O)C1CCCC1)C1CCOCC1
342083051	ZINC000608888895	ref	5.05	-10.45	0	273.336	1.593	2	3	6	CCC[C@H](C)NC(=O)CNC(=O)c1ccc(C#N)cc1
342083052	ZINC000625335547	ref	4.53	-35.97	1	258.406	1.487	3	2	7	CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NCC(C)(C)C
342083053	ZINC000625335547	mid	4.5	-32.68	1	258.406	1.487	3	2	7	CC(C)C[C@@H](CO)[N@@H+](C)CC(=O)NCC(C)(C)C
342083054	ZINC000625335547	mid	2.0	-9.7	0	258.406	1.487	2	3	7	CC(C)C[C@@H](CO)N(C)CC(=O)NCC(C)(C)C
342083055	ZINC000625335697	ref	3.44	-10.04	0	280.434	1.614	1	3	10	CCC[C@H](CNS(=O)(=O)N(C)CC(C)C)OCC
342083056	ZINC000402863649	ref	4.17	-12.25	0	269.41	1.817	2	3	5	CS[C@H](CO)[C@H](C)NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
342083057	ZINC000625334712	ref	3.72	-23.8	0	270.239	1.616	2	4	5	Cc1nnc(CCNC(=O)c2coc(C(F)F)c2)[nH]1
342083058	ZINC000625334712	mid	3.34	-20.08	0	270.239	1.616	2	4	5	Cc1n[nH]c(CCNC(=O)c2coc(C(F)F)c2)n1
342083059	ZINC000625335739	ref	1.34	-10.9	0	267.391	1.146	1	4	10	CCC[C@H](CNS(=O)(=O)[C@@H](C)COC)OCC
342083060	ZINC000625334774	ref	7.15	-32.54	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@@H](C)C(C)C)C[C@H]1CCC[N@@H+]1CC
342083061	ZINC000625334774	mid	6.01	-38.45	1	283.46	1.953	2	2	8	CCN(CC(=O)N[C@@H](C)C(C)C)C[C@H]1CCC[N@H+]1CC
342083062	ZINC000625334774	high	4.89	-6.27	0	283.46	1.953	1	3	8	CCN(CC(=O)N[C@@H](C)C(C)C)C[C@H]1CCCN1CC
342083063	ZINC000238063859	ref	6.91	-43.5	-1	295.335	1.695	0	5	7	O=C([O-])CCN(C(=O)CCc1ccco1)C1CCOCC1
342083064	ZINC000625335833	ref	5.06	-17.71	0	297.358	1.514	1	3	3	CC[C@@H]1C(=O)NCCN1C(=O)Cc1cccc2cnccc12
342083065	ZINC000608889495	ref	6.3	-11.17	0	283.331	1.441	1	3	3	N#Cc1ccc(C(=O)NCC(=O)N2C3CCC2CC3)cc1
214176454	ZINC000053314805	ref	6.87	-12.65	0	344.296	4.98	2	4	3	FC(F)(F)c1ccc(-c2cnc(Nc3cccc4n[nH]cc34)o2)cc1
214176458	ZINC000053314805	mid	6.79	-9.14	0	344.296	4.98	2	4	3	FC(F)(F)c1ccc(-c2cnc(Nc3cccc4[nH]ncc34)o2)cc1
342083066	ZINC000032633671	ref	3.85	-10.92	0	286.331	1.777	1	4	1	C[C@H]1CN(C(=O)c2cnc3ccccc3c2O)C[C@H](C)O1
168365594	ZINC000042290314	high	2.0	-30.07	1	199.342	0.748	2	2	3	C[C@@H](N)[C@@H](C)[N@H+](C)C1CCN(C)CC1
398246657	ZINC000076768970	high	2.74	-11.61	0	238.356	1.627	2	3	6	CSC[C@@H](C)NCc1cccc(C(N)=O)c1
342088523	ZINC000121508501	low	4.32	-42.6	1	281.262	1.376	2	3	4	Cn1c[nH+]cc1CCNC(=O)c1cc(F)c(O)c(F)c1
342598517	ZINC000590816382	ref	6.7	-15.38	0	285.347	1.995	1	4	3	O=C(Cc1cccc(O)c1)N1CCC[C@H](n2ccnc2)C1
342598518	ZINC000590816382	low	7.41	-39.51	1	285.347	1.995	1	3	3	O=C(Cc1cccc(O)c1)N1CCC[C@H](n2cc[nH+]c2)C1
342598519	ZINC000590816308	ref	6.76	-13.33	0	285.347	1.995	1	4	3	O=C(Cc1ccccc1O)N1CCC[C@H](n2ccnc2)C1
214176456	ZINC000278474333	ref	9.08	-50.37	1	315.417	1.837	1	2	4	CC(=O)N(C)c1ccc(C(=O)N2CC[NH+](CC3CC3)CC2)cc1
214176459	ZINC000278474333	mid	6.86	-13.73	0	315.417	1.837	0	3	4	CC(=O)N(C)c1ccc(C(=O)N2CCN(CC3CC3)CC2)cc1
168365317	ZINC000368507875	low	8.62	-36.87	1	341.48	3.362	2	3	5	Cc1ccc(-c2csc(C[N@@H+]3CCC[C@@H]3C(=O)NC3CC3)n2)cc1
199273188	ZINC000181260520	ref	4.67	-11.84	0	301.39	2.489	2	4	5	CCc1nn(C)c(CC)c1CNC(=O)c1ccc(C)c(O)c1
342598520	ZINC000590816308	low	7.46	-37.73	1	285.347	1.995	1	3	3	O=C(Cc1ccccc1O)N1CCC[C@H](n2cc[nH+]c2)C1
197597414	ZINC000290104885	ref	6.44	-10.87	0	284.4	3.03	1	3	8	Cc1csc(CCCCNC(=O)C2(CCF)CC2)n1
342598521	ZINC000590814919	ref	6.54	-15.47	0	253.342	1.583	0	3	5	O=C(COC[C@@H]1CCCO1)N1CCC[C@@H]1C1CC1
342598522	ZINC000616984867	ref	4.24	-10.54	0	255.362	1.424	1	2	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCN(C(N)=O)C1
342598523	ZINC000616985008	ref	5.12	-18.21	0	278.352	1.811	1	3	7	CC[C@H](C)N(CC)C(=O)c1ccc(OCC(N)=O)cc1
342598524	ZINC000590814554	ref	5.61	-18.97	0	298.346	1.467	1	4	4	CC(=O)Nc1ccc(CC(=O)N2CC(n3cccn3)C2)cc1
282120368	ZINC000376972022	ref	5.87	-46.79	1	308.426	0.637	3	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC(=O)N[C@@H]2C2CC2)C1
282120372	ZINC000195570364	ref	8.72	-42.67	1	305.397	2.406	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3c(F)cccc32)C1
197597427	ZINC000290107122	ref	6.38	-45.48	1	293.411	1.973	2	3	5	Cc1noc(C)c1C[C@H](C)NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C
398246659	ZINC000306199925	ref	3.76	-40.66	1	201.335	1.241	2	2	1	C[NH2+][C@@H]1CS[C@@H]2CCCC[C@H](O)[C@H]12
398246662	ZINC000076769145	ref	7.03	-34.18	1	234.368	3.009	2	1	5	CSC[C@H](C)[NH2+]Cc1cccc2[nH]ccc12
398246665	ZINC000076764825	ref	6.56	-7.5	0	249.354	3.349	1	2	5	CCOCCC(=O)Nc1ccc(C(C)(C)C)cc1
282120376	ZINC000362078679	ref	8.64	-40.76	1	293.455	2.548	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)C1
342598525	ZINC000590814972	ref	5.42	-9.86	0	278.377	1.879	1	3	4	O=C(NCC(=O)N1CCC[C@@H]1C1CC1)c1ccsc1
398246670	ZINC000076762055	ref	2.82	-50.36	-1	231.317	2.039	0	3	6	CCCCS(=O)(=O)[N-]C(=O)C=CC1CC1
342598526	ZINC000590815071	ref	2.63	-22.85	0	299.29	1.13	1	6	2	Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CC(n2cccn2)C1
342598527	ZINC000590816058	ref	5.63	-13.93	0	272.308	1.461	1	5	2	O=C(c1ncccc1O)N1CCC[C@H](n2ccnc2)C1
124847215	ZINC000013988011	ref	13.88	-11.47	0	474.041	5.994	2	4	7	C[C@H](NC(=O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cccc(Cl)c1
342598528	ZINC000590816058	mid	6.57	-51.69	-1	272.308	1.461	0	5	2	O=C(c1ncccc1[O-])N1CCC[C@H](n2ccnc2)C1
365623145	ZINC000576547884	ref	2.88	-6.52	0	249.301	2.089	2	2	5	CC(C)(O)CCNC(=O)C1(C(F)F)CCCC1
365623155	ZINC000175921371	ref	6.06	-8.96	0	247.342	2.472	1	2	4	Cc1cccc(CNC(=O)N(C(C)C)C2CC2)n1
365623171	ZINC000175920656	ref	5.41	-14.29	0	244.298	1.565	1	4	3	CC(C)[C@@](C)(C#N)NC(=O)c1cc(C#N)cn1C
365623183	ZINC000576550504	ref	1.3	-4.95	0	237.303	1.544	1	5	3	C[C@@H](O)[C@H]1CCN(c2nc(C3CCC3)no2)C1
398246660	ZINC000650862836	ref	4.33	-12.51	0	282.384	1.768	1	3	5	O=C(NCCOC[C@@H]1CCOC1)N1CCC12CCCC2
398246663	ZINC000650863386	ref	6.24	-38.02	1	295.427	1.825	2	2	5	COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC12CCCC2
398246666	ZINC000650863386	mid	6.75	-38.59	1	295.427	1.825	2	2	5	COCC[N@H+]1CCC[C@@H]1CNC(=O)N1CCC12CCCC2
365623187	ZINC000576547810	ref	1.29	-10.18	0	247.298	1.161	2	3	3	Cc1cc(C(=O)NC2(C)CCC2)ncc1C(N)=O
365623194	ZINC000576550520	ref	0.92	-13.35	0	234.321	0.635	1	4	6	CC(C)(C)OCCNS(=O)(=O)CCC#N
365623202	ZINC000576542041	ref	6.79	-4.43	0	249.358	2.427	1	4	7	CCCC1(CNc2cc(COC)ncn2)CCC1
282120369	ZINC000264088346	ref	7.17	-16.65	0	296.334	1.662	2	6	2	Cc1nc2n(n1)C[C@@H](Nc1nc3ccccc3c(=O)[nH]1)CC2
398246668	ZINC000650863386	high	3.9	-10.95	0	295.427	1.825	1	3	5	COCCN1CCC[C@@H]1CNC(=O)N1CCC12CCCC2
398246671	ZINC000650863033	ref	3.04	-9.54	0	272.389	1.773	2	3	6	C[C@@H](NC(=O)NCCOC[C@H]1CCOC1)C(C)(C)C
282120373	ZINC000301895964	ref	7.2	-14.36	0	295.35	1.539	2	7	2	Cc1nc2n(n1)C[C@@H](Nc1nc(N)c3ccccc3n1)CC2
168365597	ZINC000042290314	high	2.07	-30.2	1	199.342	0.748	2	2	3	C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCN(C)CC1
342598529	ZINC000590816058	low	6.34	-42.73	1	272.308	1.461	1	4	2	O=C(c1ncccc1O)N1CCC[C@H](n2cc[nH+]c2)C1
365623213	ZINC000576550370	ref	7.68	-39.97	1	207.239	2.837	1	0	4	CC/C=C\CC[NH+]1CC(C(F)(F)F)C1
365623219	ZINC000576550370	mid	4.48	-1.76	0	207.239	2.837	0	1	4	CC/C=C\CCN1CC(C(F)(F)F)C1
398249545	ZINC000370083749	ref	4.65	-36.04	1	234.343	1.864	3	2	4	Cc1ccc(NC2CC[NH+](CCO)CC2)cc1
197597433	ZINC000162874586	ref	5.31	-9.55	0	308.397	2.828	2	2	4	CCC1(CO)CCN(C(=O)NCc2ccc(F)c(C)c2)CC1
197597435	ZINC000162877405	ref	6.98	-11.13	0	307.438	2.265	2	2	4	CC(C)(C)N1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CC1=O
342598530	ZINC000590814865	ref	6.4	-11.24	0	287.367	1.731	0	5	4	Cc1cc(C)n([C@@H](C)CC(=O)N2CC(n3cccn3)C2)n1
342598531	ZINC000590814862	ref	6.41	-11.78	0	287.367	1.731	0	5	4	Cc1cc(C)n([C@H](C)CC(=O)N2CC(n3cccn3)C2)n1
197597443	ZINC000162864554	ref	7.31	-10.5	0	301.361	2.997	2	2	6	C[C@H](NC(=O)CCc1ccccc1)[C@@H](O)c1ccc(F)cc1
219048647	ZINC000286549309	ref	6.6	-43.25	1	318.421	1.137	3	2	4	Cc1[nH]ccc1C(=O)NC1C[C@@H]2CC[C@H](C1)[N@@H+]2CC(=O)N(C)C
365623147	ZINC000625031897	ref	7.47	-19.12	0	319.449	2.361	1	2	2	C[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC12CCC2
185090222	ZINC000096076003	ref	9.04	-41.54	1	290.432	2.377	1	2	4	O=C(Cc1cccs1)N1CC[C@]2(CC[N@@H+]2CC2CC2)C1
219048649	ZINC000286549309	mid	6.95	-46.12	1	318.421	1.137	3	2	4	Cc1[nH]ccc1C(=O)NC1C[C@@H]2CC[C@H](C1)[N@H+]2CC(=O)N(C)C
219048651	ZINC000286549309	mid	4.66	-16.13	0	318.421	1.137	2	3	4	Cc1[nH]ccc1C(=O)NC1C[C@@H]2CC[C@H](C1)N2CC(=O)N(C)C
219048653	ZINC000286550725	ref	2.46	-11.92	0	322.405	1.937	3	4	7	C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(OCCCO)cc1
342598532	ZINC000616984668	ref	6.17	-14.52	0	254.33	1.172	0	3	6	CC[C@H](C)N(CC)C(=O)CCN1C(=O)CCC1=O
197597448	ZINC000162874994	ref	6.2	-52.04	1	311.407	2.564	2	4	8	CCCC[C@@H](C[NH3+])NC(=O)c1ccc(SC)c([N+](=O)[O-])c1
197597451	ZINC000162878142	ref	8.14	-49.79	-1	313.423	2.321	0	7	6	CC(C)(C)n1c(CC[C@@H]2CCCO2)nnc1SCC(=O)[O-]
342598533	ZINC000590814953	ref	5.31	-10.43	0	276.336	1.719	1	3	4	Cc1occc1C(=O)NCC(=O)N1CCC[C@@H]1C1CC1
342598534	ZINC000590814973	ref	5.58	-9.22	0	278.377	1.879	1	3	4	O=C(NCC(=O)N1CCC[C@H]1C1CC1)c1ccsc1
342598535	ZINC000590816810	ref	3.85	-15.88	0	251.33	1.571	2	3	7	C=CCOCCNC(=O)N[C@H]1CC[C@@H](CC#N)C1
282120374	ZINC000424367810	high	3.0	-125.42	-2	289.353	1.757	0	5	7	CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)o1)C(=O)[O-]
219048655	ZINC000286549881	ref	3.8	-13.78	0	307.346	1.725	1	5	7	CCOC1CC(C(=O)NCCOc2ccc3c(c2)OCO3)C1
219048657	ZINC000286550705	ref	3.2	-9.74	0	306.366	0.089	1	5	3	Cc1cnn(CCNC(=O)C(=O)N2CCOC3(CCC3)C2)c1
342598536	ZINC000590814690	ref	5.37	-14.41	0	271.32	1.903	1	4	2	Cc1ccc(C(=O)N2CC(n3cccn3)C2)c(O)c1C
178292694	ZINC000237010348	ref	3.43	-50.34	1	373.906	1.546	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
178292697	ZINC000237010348	high	3.15	-11.18	0	373.906	1.546	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
178292700	ZINC000237002785	ref	4.96	-47.91	1	373.906	1.804	1	3	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+][C@@H](C)C2)c1
178292703	ZINC000237002785	mid	3.69	-10.6	0	373.906	1.804	1	4	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCN[C@@H](C)C2)c1
178292705	ZINC000237004613	ref	5.02	-50.63	1	368.503	1.475	2	4	8	CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)C[NH2+]C)c1
178292707	ZINC000237004613	high	3.59	-14.82	0	368.503	1.475	2	5	8	CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CNC)c1
178292708	ZINC000237005557	ref	2.19	-54.2	1	368.503	1.825	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)c1
136228576	ZINC000191586343	ref	3.52	-10.7	0	230.308	0.394	1	3	6	CCO[C@H](C)C(=O)N[C@H](C)C(=O)N(C)CC
178292712	ZINC000237008847	ref	6.64	-43.3	1	373.457	1.182	2	5	5	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@@H]3C[NH3+])cc(C(C)C)nc21
178292714	ZINC000237016943	ref	9.89	-52.78	-1	359.426	1.973	1	6	7	CCCn1c(=O)n(CCC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c2ccccc21
178292719	ZINC000237003051	ref	1.75	-47.45	1	353.467	1.185	1	6	7	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1
349535861	ZINC000621245809	ref	5.65	-34.21	1	253.777	2.261	1	2	3	CC(C)[NH+]1CCN(Cc2cncc(Cl)c2)CC1
365623151	ZINC000637717572	ref	6.5	-9.85	0	289.383	1.497	1	4	6	CCCN(CC1CC1)C(=O)NC1CN(c2ccncn2)C1
365623157	ZINC000274320968	ref	5.93	-10.73	0	278.356	1.844	1	4	8	CCCN(CCC)C(=O)CCC(=O)Nc1cncnc1
178292722	ZINC000237003051	high	1.38	-10.71	0	353.467	1.185	1	7	7	CC[C@H](C)[C@H](N)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1
178292725	ZINC000237006988	ref	3.98	-51.71	1	366.893	1.796	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1
187169755	ZINC000125099834	ref	0.48	-14.6	0	264.281	0.517	3	4	3	C[C@@H](CO)NC(=O)c1cccc2c1O[C@H](C)C(=O)N2
185090223	ZINC000096076003	mid	9.07	-42.96	1	290.432	2.377	1	2	4	O=C(Cc1cccs1)N1CC[C@]2(CC[N@H+]2CC2CC2)C1
178292728	ZINC000237006988	high	3.63	-15.55	0	366.893	1.796	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1
398249546	ZINC000381278000	high	1.92	-87.49	2	211.353	0.657	2	1	4	[NH3+]CC[C@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1
136228577	ZINC000283248858	ref	3.81	-19.0	0	213.302	0.378	0	2	0	CC#CC(=O)N1CC[S@](=O)[C@H](C)[C@H]1C
197597444	ZINC000290104336	ref	2.25	-12.56	0	278.308	1.45	3	4	5	C=C[C@H](CO)NC(=O)Nc1ccc(C(=O)OC)c(C)c1
197597445	ZINC000290104743	ref	2.84	-10.82	0	250.302	1.665	0	6	5	CC[C@@](C)(OC)c1noc(Cc2ccnn2C)n1
197597447	ZINC000290105732	ref	4.11	-7.37	0	280.343	2.807	3	2	4	Cc1c(F)cccc1NC(=O)N[C@H](CO)C1CCCC1
342083067	ZINC000032633671	mid	5.67	-23.0	0	286.331	1.777	1	3	1	C[C@H]1CN(C(=O)c2c[nH]c3ccccc3c2=O)C[C@H](C)O1
342083068	ZINC000032633671	high	5.24	-42.38	-1	286.331	1.777	0	3	1	C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)C[C@H](C)O1
342083069	ZINC000608889298	ref	3.03	-21.31	0	260.297	1.174	3	4	3	C[C@H](Nc1cccc2c1ccn2C)C(=O)NC(N)=O
342083070	ZINC000624211241	ref	3.74	-63.13	1	287.367	1.641	2	4	4	NC(=O)c1cnn2cc(C[NH2+]C3CCCCCC3)cnc12
342083071	ZINC000625335715	ref	2.58	-17.28	0	290.385	1.608	1	5	9	CCC[C@H](CNS(=O)(=O)Cc1cc(C)no1)OCC
342083072	ZINC000625335715	high	2.21	-44.87	-1	290.385	1.608	0	5	9	CCC[C@H](C[N-]S(=O)(=O)Cc1cc(C)no1)OCC
342083073	ZINC000625335614	ref	4.4	-34.54	1	257.374	1.273	2	3	7	CCO[C@H](C[N@@H+]1CCOC[C@H]1C[C@H](C)O)C1CC1
342083074	ZINC000625335614	mid	4.06	-33.82	1	257.374	1.273	2	3	7	CCO[C@H](C[N@H+]1CCOC[C@H]1C[C@H](C)O)C1CC1
342083075	ZINC000625335614	mid	2.76	-3.21	0	257.374	1.273	1	4	7	CCO[C@H](CN1CCOC[C@H]1C[C@H](C)O)C1CC1
342083076	ZINC000238064674	ref	3.84	-43.59	1	284.4	1.206	2	3	7	[NH3+]C[C@@H](NC(=O)COC[C@H]1CCCO1)C1CCCCC1
342088524	ZINC000121510792	ref	7.27	-18.71	0	279.29	1.6	1	3	5	Cn1cncc1CCNC(=O)Cc1cccc(F)c1F
342088525	ZINC000121510792	low	7.78	-43.38	1	279.29	1.6	1	2	5	Cn1c[nH+]cc1CCNC(=O)Cc1cccc(F)c1F
342088526	ZINC000121508223	ref	6.78	-36.81	1	290.411	1.57	1	3	2	CC(C)c1nc2c(n1C)CCN(C(=O)[C@]1(C)CCC[NH2+]1)C2
342088527	ZINC000121508223	low	7.31	-88.94	2	290.411	1.57	1	2	2	CC(C)c1[nH+]c2c(n1C)CCN(C(=O)[C@]1(C)CCC[NH2+]1)C2
342088528	ZINC000121480935	ref	5.42	-25.8	0	286.335	1.351	2	4	5	CC(=O)Nc1cccc(C(=O)NCCc2cncn2C)c1
342088529	ZINC000121480935	low	5.93	-49.19	1	286.335	1.351	2	3	5	CC(=O)Nc1cccc(C(=O)NCCc2c[nH+]cn2C)c1
342088530	ZINC000121427968	ref	6.79	-13.19	0	285.347	1.393	1	4	4	Cn1cncc1CCNC(=O)[C@H]1OCCc2ccccc21
342088531	ZINC000121427968	low	7.31	-36.9	1	285.347	1.393	1	3	4	Cn1c[nH+]cc1CCNC(=O)[C@H]1OCCc2ccccc21
342088532	ZINC000609046459	ref	6.87	-47.15	1	289.423	1.961	2	3	9	CCN(C[C@H](C)C#N)C[C@@H](O)C[N@H+](C)Cc1ccccc1
178292709	ZINC000217675369	mid	3.71	-47.15	0	236.271	0.544	2	4	1	Cc1cc2c(o1)[C@@H]1C[N@H+](C)C[C@@]1(C(=O)[O-])NC2
178292711	ZINC000217675369	mid	1.14	-46.74	-1	236.271	0.544	1	5	1	Cc1cc2c(o1)[C@@H]1CN(C)C[C@@]1(C(=O)[O-])NC2
178292715	ZINC000085399179	ref	3.54	-4.95	0	220.19	2.746	1	2	0	Cc1cc2c(o1)C[C@@H](C(F)(F)F)C[C@@H]2O
178292718	ZINC000052299223	ref	9.18	-10.44	0	231.339	3.533	0	2	1	Cc1cc2c(n1[C@H]1C[C@@H]1C)CC(C)(C)CC2=O
398246664	ZINC000649444136	ref	5.43	-8.22	0	242.322	2.245	1	3	1	Cc1c(-c2ccc3c(c2)CC[C@@H](O)C3)cnn1C
185090225	ZINC000096076003	high	6.05	-10.71	0	290.432	2.377	0	3	4	O=C(Cc1cccs1)N1CC[C@]2(CCN2CC2CC2)C1
178292726	ZINC000034428205	ref	9.41	-7.85	0	212.296	3.06	0	2	1	Cc1cc2c(n1-c1ccccn1)CCCC2
136228578	ZINC000182816412	ref	2.09	-41.17	1	228.336	1.069	2	2	9	C=CCCOCCNC(=O)[C@H]([NH3+])[C@@H](C)CC
199273190	ZINC000181261152	ref	8.81	-41.69	1	318.461	3.034	2	2	6	CC[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1
199273192	ZINC000181261152	mid	8.8	-39.46	1	318.461	3.034	2	2	6	CC[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1
365623152	ZINC000625038053	ref	7.25	-18.43	0	305.422	2.114	1	2	3	O=C1[C@H](NC(=O)N2CCC[C@@H]2C2CCC2)CCN1C1CCC1
178292730	ZINC000049814701	ref	7.08	-4.61	0	209.72	3.414	0	1	0	Cc1cc2c(nc1Cl)C[C@@H](C)[C@@H](C)C2
178292734	ZINC000101026656	ref	7.92	-12.79	0	231.32	2.521	0	3	0	Cc1cc2c(n1C)CCc1ccc(=O)sc1-2
178292739	ZINC000066054970	ref	7.12	-45.17	-1	207.229	1.4	0	4	2	Cc1cc2c(n1CC(=O)[O-])CCCC2=O
178292742	ZINC000217646839	ref	3.47	-7.25	0	202.2	2.449	1	2	1	Cc1cc2c(o1)C[C@H](C(F)F)C[C@H]2O
398246667	ZINC000649444281	ref	3.17	-6.07	0	230.193	2.435	2	2	1	Cc1n[nH]c(C)c1-c1cc(C(F)(F)F)[nH]n1
343994432	ZINC000599271251	ref	4.38	-46.32	1	296.411	1.559	2	4	6	C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCCCO1
136228579	ZINC000182816412	high	1.77	-6.97	0	228.336	1.069	2	3	9	C=CCCOCCNC(=O)[C@H](N)[C@@H](C)CC
398246669	ZINC000649444281	mid	3.1	-7.18	0	230.193	2.435	2	2	1	Cc1n[nH]c(C)c1-c1cc(C(F)(F)F)n[nH]1
178292751	ZINC000041725814	ref	6.84	-38.19	1	220.36	3.35	1	1	2	Cc1cc2c(n1[C@H](C)C(C)C)CCC[C@H]2[NH3+]
398246672	ZINC000649444176	ref	6.68	-6.04	0	206.314	3.074	0	3	1	Cc1cc(-c2cnn(C)c2C)c(C)s1
178292759	ZINC000041730873	ref	1.58	-44.68	1	221.304	1.179	2	2	2	Cc1cc2c(n1[C@@H](C)C(N)=O)CCC[C@@H]2[NH3+]
398246674	ZINC000649444231	ref	2.73	-7.9	0	216.166	2.127	2	2	1	Cc1n[nH]cc1-c1cc(C(F)(F)F)[nH]n1
398246677	ZINC000649444231	mid	2.56	-7.97	0	216.166	2.127	2	2	1	Cc1n[nH]cc1-c1cc(C(F)(F)F)n[nH]1
342598537	ZINC000590814690	high	6.36	-59.95	-1	271.32	1.903	0	4	2	Cc1ccc(C(=O)N2CC(n3cccn3)C2)c([O-])c1C
342598538	ZINC000616984758	ref	7.55	-16.04	0	287.367	1.987	0	5	6	CC[C@@H](C)N(CC)C(=O)Cn1nnc(-c2ccccc2)n1
365623159	ZINC000625037420	ref	7.28	-20.45	0	321.446	2.085	1	3	5	CN(CCc1cccs1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
342598539	ZINC000590815094	ref	3.96	-16.25	0	294.318	1.365	1	5	3	O=C(c1c[nH]nc1-c1ccncc1)N1CC(n2cccn2)C1
342598540	ZINC000616984871	ref	4.18	-10.61	0	255.362	1.424	1	2	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCCN(C(N)=O)C1
197597474	ZINC000162868783	ref	5.49	-18.82	0	306.41	1.587	1	4	5	Cc1c(C(=O)N[C@@H]2CCN(C(C)C)C2=O)cnn1CC(C)C
365639375	ZINC000641602316	mid	3.44	-34.32	1	265.361	1.108	3	4	8	CCCC[N@@H+](C)C[C@@H](C)Nc1nccnc1C(N)=O
342598541	ZINC000590815887	ref	7.4	-19.25	0	293.367	1.242	0	5	5	O=C(COC[C@@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
342598542	ZINC000590815887	low	8.11	-41.75	1	293.367	1.242	0	4	5	O=C(COC[C@@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
197597479	ZINC000162869611	ref	5.94	-9.98	0	322.449	2.957	2	3	9	CCN(CC(C)(C)O)C(=O)NCCCO[C@@H](C)c1ccccc1
342598543	ZINC000616984968	ref	7.19	-10.05	0	252.358	1.644	0	2	5	CC[C@H](C)N(CC)C(=O)[C@@H]1CC(=O)N(C2CC2)C1
342598544	ZINC000616984974	ref	6.41	-18.04	0	281.381	1.61	0	5	4	CC[C@H](C)N(CC)C(=O)c1cnc2n(c1=O)CCS2
342598545	ZINC000590816839	ref	5.11	-17.0	0	263.341	1.643	1	3	4	N#CCCCNC(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1
197597488	ZINC000162869478	ref	5.55	-13.59	0	317.36	2.824	2	3	6	COCc1cccc(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1
342598546	ZINC000616990348	ref	4.18	-39.78	1	291.395	1.94	2	3	4	COc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342598547	ZINC000616990348	mid	4.19	-40.27	1	291.395	1.94	2	3	4	COc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
342598548	ZINC000590815096	ref	7.12	-18.48	0	289.31	1.873	0	4	4	C[C@@H](Oc1ccccc1F)C(=O)N1CC(n2cccn2)C1
342598549	ZINC000616990352	ref	4.88	-39.31	1	297.443	1.385	3	2	4	CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
185386276	ZINC000096752634	ref	5.83	-56.61	-1	309.362	1.862	1	5	8	CC[C@@H](C)[C@@H](NC(=O)Cc1ccc(OC)cc1OC)C(=O)[O-]
342598550	ZINC000616990352	mid	4.87	-39.64	1	297.443	1.385	3	2	4	CC(C)(C)C(=O)NCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
197597503	ZINC000162872436	ref	6.7	-19.92	0	316.279	2.164	2	3	6	CC(=O)N/C(=C/c1ccccc1)C(=O)NOCCC(F)(F)F
342600611	ZINC000616999495	mid	3.37	-37.58	1	254.374	1.138	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2(O)CCC2)C1
136228580	ZINC000283258185	ref	7.53	-6.87	0	236.363	2.431	0	4	6	C=CCCCN(C)Cc1ncnn1C(C)(C)C
178292731	ZINC000237010756	ref	2.54	-46.76	1	366.893	1.384	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1
178292733	ZINC000237010756	high	2.19	-11.26	0	366.893	1.384	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN([C@H](C(N)=O)c2ccc(Cl)cc2)CC1
178292736	ZINC000237009203	ref	6.95	-57.48	1	373.457	1.052	2	5	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH2+]C[C@H]3C)cc(C(C)C)nc21
178292737	ZINC000237009203	mid	5.62	-14.03	0	373.457	1.052	2	6	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCNC[C@H]3C)cc(C(C)C)nc21
178292740	ZINC000237004568	ref	3.71	-57.95	1	368.503	1.605	2	4	8	CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CC[NH3+])c1
178292744	ZINC000237002823	ref	2.74	-42.56	1	355.504	1.867	3	3	8	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1
178292746	ZINC000237014201	ref	5.96	-56.81	1	357.414	1.94	2	6	5	CCOC(=O)c1cccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1
178292749	ZINC000237009131	ref	3.48	-53.91	1	373.544	1.571	1	4	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
178292750	ZINC000237009131	high	3.21	-12.67	0	373.544	1.571	1	5	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
178292753	ZINC000237012728	ref	5.1	-65.46	1	367.877	1.811	2	3	7	CC[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
178292755	ZINC000237003670	ref	3.84	-52.46	1	353.488	1.587	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1
178292758	ZINC000237009343	ref	7.82	-85.26	2	360.502	1.844	3	3	7	CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)c(C)c2)CC1
178292761	ZINC000237009343	high	4.03	-11.95	0	360.502	1.844	2	5	7	CCN1CCN(c2ccc(NC(=O)CNC[C@@H]3CCCO3)c(C)c2)CC1
185090228	ZINC000096075895	ref	4.86	-19.69	0	288.351	0.725	0	4	2	Cc1cnc(C(=O)N2CC[C@]3(C[C@@H]3C(=O)N(C)C)C2)cn1
178292762	ZINC000237005262	ref	2.2	-59.06	1	353.488	1.621	3	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1
136228581	ZINC000283258185	low	9.52	-41.25	1	236.363	2.431	1	3	6	C=CCCC[N@@H+](C)Cc1ncnn1C(C)(C)C
178292765	ZINC000237015158	ref	4.1	-50.53	1	353.488	1.528	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C[NH3+])C2)c1
136228582	ZINC000283258185	low	9.45	-41.44	1	236.363	2.431	1	3	6	C=CCCC[N@H+](C)Cc1ncnn1C(C)(C)C
136228583	ZINC000191593827	ref	2.4	-39.37	1	238.335	1.06	2	4	6	C=CC[C@H](CO)[NH2+]Cc1cn(C(C)(C)C)nn1
190492139	ZINC000269413052	ref	5.12	-16.17	0	280.412	2.256	2	2	6	C=CC(=O)NCCC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C
197597471	ZINC000290104647	ref	2.92	-13.53	0	281.352	1.278	2	4	9	COCCCOCC(=O)N[C@H](C)[C@@H](O)c1ccccc1
346818939	ZINC000611565979	ref	5.61	-11.17	0	255.22	1.564	0	3	2	COC(=O)c1ccc(C(=O)N2CC(F)(F)C2)cc1
349535863	ZINC000621245809	high	3.21	-2.89	0	253.777	2.261	0	3	3	CC(C)N1CCN(Cc2cncc(Cl)c2)CC1
361822864	ZINC000439607661	ref	9.38	-12.14	0	295.346	1.911	1	6	3	C[C@H](Nc1nccn2cnnc12)[C@H]1Oc2ccccc2[C@@H]1C
361822872	ZINC000634170323	ref	4.17	-9.53	0	267.369	1.419	1	3	3	CC(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)C[C@H]1C1CC1
361822878	ZINC000629301440	ref	2.43	-41.55	-1	270.314	1.08	0	6	4	CCc1oncc1[N-]S(=O)(=O)c1cnc(C)n1C
342083077	ZINC000127131646	ref	1.81	-9.34	0	285.346	1.226	2	6	4	COC(=O)[C@@H](CO)NC(=O)c1cc2sccc2s1
197597494	ZINC000290104366	ref	6.18	-47.08	1	287.367	1.295	2	4	4	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)c1nnc2ccccn12
342083078	ZINC000625335176	ref	4.05	-31.48	1	270.417	1.188	2	3	7	CCO[C@H](C[N@@H+]1CCN(C[C@@H](C)O)C[C@@H]1C)C1CC1
342083079	ZINC000625335176	mid	3.7	-31.39	1	270.417	1.188	2	3	7	CCO[C@H](C[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C)C1CC1
342083080	ZINC000625335176	mid	4.76	-33.67	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C)C1CC1
342083081	ZINC000625335176	mid	4.61	-33.26	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C)C1CC1
342083082	ZINC000625335176	high	2.34	-3.8	0	270.417	1.188	1	4	7	CCO[C@H](CN1CCN(C[C@@H](C)O)C[C@@H]1C)C1CC1
342083083	ZINC000625342477	ref	4.93	-11.05	0	283.416	1.091	1	3	5	CC[C@@H]1C(=O)N(CC)CCN1CC(=O)NCC(C)(C)C
342083084	ZINC000625335059	ref	3.61	-9.45	0	298.408	1.304	1	3	6	CCCN(C)S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
342083085	ZINC000625335180	ref	4.01	-31.32	1	270.417	1.188	2	3	7	CCO[C@H](C[N@@H+]1CCN(C[C@@H](C)O)C[C@H]1C)C1CC1
342083086	ZINC000625335180	mid	3.94	-31.87	1	270.417	1.188	2	3	7	CCO[C@H](C[N@H+]1CCN(C[C@@H](C)O)C[C@H]1C)C1CC1
342083087	ZINC000625335180	mid	4.66	-33.38	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@H+](C[C@@H](C)O)C[C@H]1C)C1CC1
342083088	ZINC000625335180	mid	3.77	-31.4	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C)C1CC1
342083089	ZINC000625335180	high	1.46	-3.4	0	270.417	1.188	1	4	7	CCO[C@H](CN1CCN(C[C@@H](C)O)C[C@H]1C)C1CC1
342083090	ZINC000402861823	ref	4.19	-12.0	0	269.41	1.821	2	3	7	O=C(NCCSCCCO)[C@@H]1C[C@@H]2C=C[C@H]1CC2
342083091	ZINC000127080153	ref	2.28	-12.84	0	272.308	1.414	3	5	6	O=C(NCCCNc1ccccn1)c1ncccc1O
342083092	ZINC000127080153	mid	3.28	-52.52	-1	272.308	1.414	2	5	6	O=C(NCCCNc1ccccn1)c1ncccc1[O-]
398246673	ZINC000650861752	ref	7.63	-50.45	1	288.391	1.946	2	2	4	C[C@]1(NC(=O)[C@H]2CCCO2)CC[N@H+](Cc2ccccc2)C1
342083093	ZINC000127080153	low	2.75	-37.15	1	272.308	1.414	3	4	6	O=C(NCCCNc1cccc[nH+]1)c1ncccc1O
342083094	ZINC000032641742	ref	3.65	-10.81	0	274.324	1.186	1	5	3	Cc1nn(C)c2ncc(C(=O)NC[C@@H]3CCCO3)cc12
342083095	ZINC000625335307	ref	8.85	-42.46	1	268.364	1.905	1	3	3	Cn1cc(CC[N@@H+]2Cc3ccccc3C3(CC3)C2)nn1
342083096	ZINC000625335307	mid	8.86	-43.24	1	268.364	1.905	1	3	3	Cn1cc(CC[N@H+]2Cc3ccccc3C3(CC3)C2)nn1
342083097	ZINC000625335307	high	6.62	-10.92	0	268.364	1.905	0	4	3	Cn1cc(CCN2Cc3ccccc3C3(CC3)C2)nn1
342083098	ZINC000624050738	ref	11.4	-29.04	1	258.329	1.032	2	5	4	CCN(Cc1ccccc1C)c1nc(N)[nH+]c(N)n1
342083099	ZINC000624050738	mid	11.25	-28.01	1	258.329	1.032	2	5	4	CCN(Cc1ccccc1C)c1nc(N)nc(N)[nH+]1
346818979	ZINC000589954137	ref	6.19	-11.06	0	292.429	3.247	1	4	4	Cc1nc(-c2cccs2)c(CC(=O)N[C@@H]2C[C@H]2C)s1
342083101	ZINC000624050738	high	10.88	-7.8	0	258.329	1.032	2	6	4	CCN(Cc1ccccc1C)c1nc(N)nc(N)n1
342083102	ZINC000625342402	ref	4.66	-9.14	0	292.383	1.78	0	5	5	CC[C@@H]1C(=O)N(CC)CCN1Cc1noc(C2CCC2)n1
342083103	ZINC000608890458	ref	5.45	-10.52	0	285.347	1.45	2	3	6	C[C@@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C1CC1
342083104	ZINC000032657390	ref	5.48	-13.96	0	295.346	1.714	1	5	4	Cc1cc2ncc(C(=O)NCCc3ccccn3)c(C)n2n1
342083105	ZINC000625342513	ref	2.2	-13.19	0	276.308	1.348	1	2	2	NS(=O)(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1
342083106	ZINC000625334850	ref	4.09	-12.81	0	289.36	1.647	1	4	2	CC[C@@H]1C(=O)NCCN1C(=O)c1nccc2ccsc12
342083107	ZINC000625335430	ref	3.4	-11.33	0	266.263	1.312	1	2	3	CC[C@@H]1C(=O)NCCN1C(=O)C[C@@H](C)C(F)(F)F
178292785	ZINC000082786716	ref	4.35	-6.28	0	282.141	2.313	2	3	2	COc1ccc(C2=NNC(=N)CC2)cc1Br
178292786	ZINC000082786716	mid	4.3	-36.81	1	282.141	2.313	2	2	2	COc1ccc(C2=NNC(=[NH2+])CC2)cc1Br
178292788	ZINC000082786686	ref	5.16	-6.39	0	270.105	2.443	2	2	1	N=C1CCC(c2cc(Br)ccc2F)=NN1
178292791	ZINC000082786686	mid	5.1	-35.67	1	270.105	2.443	2	1	1	[NH2+]=C1CCC(c2cc(Br)ccc2F)=NN1
342083108	ZINC000625342366	ref	5.69	-28.07	1	267.417	1.413	1	2	5	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H]1CCCN(C)C1=O
343994436	ZINC000139325927	high	0.43	-39.35	-1	114.1	-0.721	1	3	0	O=C1CCC([O-])=C1O
197597496	ZINC000290104886	ref	6.74	-44.73	1	258.365	2.648	2	1	4	CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1Cc2[nH]c3ccccc3c2C1
306234513	ZINC000557850980	ref	1.12	-20.52	0	349.499	1.512	1	5	5	CSc1ccccc1S(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1
219048656	ZINC000097695843	ref	1.3	-60.91	-1	340.339	1.982	1	5	4	C[C@H](c1ccco1)N(C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)C1CC1
214176462	ZINC000053305587	ref	5.98	-26.45	0	343.427	1.38	1	3	3	Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@H](C(N)=O)C3)CC2=O)c1C
342598551	ZINC000590814702	ref	6.26	-14.79	0	296.334	1.24	0	6	2	Cc1cc2ncc(C(=O)N3CC(n4cccn4)C3)c(C)n2n1
342598552	ZINC000616985038	ref	9.41	-17.43	0	289.379	1.987	0	4	5	CC[C@H](C)N(CC)C(=O)Cn1c(=O)n(C)c2ccccc21
342598553	ZINC000590816258	ref	7.81	-17.85	0	290.367	1.059	0	4	3	O=C1CCCCN1CC(=O)N1CCC[C@H](n2ccnc2)C1
214176466	ZINC000053311469	ref	5.24	-20.12	0	330.388	2.063	2	5	5	Cc1cc(NC(=O)COc2ccc(C(N)=O)cc2)n(C(C)(C)C)n1
342598554	ZINC000590816258	low	8.52	-39.63	1	290.367	1.059	0	3	3	O=C1CCCCN1CC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
361822866	ZINC000339742098	high	5.26	-9.32	0	277.393	1.728	0	5	5	CN(C)CCSCc1nc2ccccc2n(C)c1=O
342598555	ZINC000590814651	ref	4.87	-15.63	0	270.292	1.766	1	5	5	O=C(COc1cccnc1)Nc1cnc(C2CC2)nc1
342598556	ZINC000590814913	ref	3.84	-10.25	0	288.347	1.523	2	3	4	O=C(NCC(=O)N1CCC[C@H]1C1CC1)c1ccc(O)cc1
361822875	ZINC000531821628	ref	4.19	-49.41	-1	263.345	1.521	1	4	4	CC[C@]1(C)C[C@@H]1C(=O)NC1(c2nnn[n-]2)CCCC1
178305578	ZINC000019277386	ref	2.88	-57.39	1	219.288	0.973	2	3	3	Cc1cc2ncn(C[C@@H](O)C[NH3+])c2cc1C
361822880	ZINC000531821628	mid	4.2	-49.4	-1	263.345	1.521	1	4	4	CC[C@]1(C)C[C@@H]1C(=O)NC1(c2nn[n-]n2)CCCC1
361822885	ZINC000531821628	mid	4.19	-8.2	0	263.345	1.521	2	4	4	CC[C@]1(C)C[C@@H]1C(=O)NC1(c2nn[nH]n2)CCCC1
361822890	ZINC000339742026	ref	1.72	-17.24	0	271.342	1.148	2	5	4	O=C(Nc1nccs1)N1CCC(OCCO)CC1
361822895	ZINC000616604908	ref	2.33	-14.98	0	261.325	1.434	2	2	2	NC(=O)c1ccc([C@@H]2CCCCN(C(N)=O)C2)cc1
361822899	ZINC000616604772	ref	2.95	-13.19	0	292.36	1.568	0	4	2	CS(=O)(=O)N1CCO[C@@H](c2nccc3ccccc23)C1
361822904	ZINC000531822455	ref	6.34	-11.5	0	291.38	1.338	0	6	2	CC(C)[C@@H]1CN(C(=O)c2ccc3nnnn3c2)CCS1
361822914	ZINC000616604727	ref	5.12	-15.38	0	276.336	1.356	1	4	3	CCOC(=O)c1ccccc1[C@H]1CN(C(C)=O)CCN1
178292766	ZINC000237006757	ref	4.26	-49.28	1	352.523	1.199	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1
178292770	ZINC000237006757	high	3.95	-12.09	0	352.523	1.199	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1
178292772	ZINC000237002402	ref	3.88	-54.3	1	373.906	1.934	1	3	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC([NH3+])CC2)c1
178292777	ZINC000237004483	ref	2.47	-61.86	1	353.488	1.763	3	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2CCC([NH3+])CC2)cc1
178292779	ZINC000237005191	ref	3.44	-50.79	1	359.348	1.934	2	3	6	CCC[C@@H]([NH3+])C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
178292780	ZINC000237005191	high	3.15	-18.48	0	359.348	1.934	2	4	6	CCC[C@@H](N)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
178292783	ZINC000237003514	ref	6.34	-40.94	1	360.458	1.201	2	4	6	CCOc1cccnc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178292787	ZINC000237010770	ref	7.63	-58.52	1	368.503	1.891	2	5	8	CC[NH2+]CC1CCN(C(=O)CS[C@@H](C)C(=O)Nc2cc(C)on2)CC1
219048658	ZINC000097695843	low	3.12	-19.07	0	340.339	1.982	2	5	4	C[C@H](c1ccco1)N(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)C1CC1
136228584	ZINC000191593827	mid	1.12	-9.55	0	238.335	1.06	2	5	6	C=CC[C@H](CO)NCc1cn(C(C)(C)C)nn1
136228585	ZINC000182816356	ref	2.07	-42.08	1	228.336	1.069	2	2	9	C=CCCOCCNC(=O)[C@@H]([NH3+])[C@H](C)CC
178292790	ZINC000237005282	ref	3.6	-58.49	1	356.43	1.133	3	5	6	CCc1cccc(NC(=O)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
178292793	ZINC000237006784	ref	3.84	-49.69	1	352.523	1.199	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1
178292796	ZINC000237006784	high	3.54	-12.64	0	352.523	1.199	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1
178292797	ZINC000237010417	ref	6.88	-58.73	-1	351.794	1.609	1	7	7	CC[C@@H](C)[C@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(=O)[O-]
178292800	ZINC000237007443	ref	1.39	-55.93	1	367.393	1.839	3	3	7	CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
219048659	ZINC000097694989	ref	6.7	-20.32	0	347.44	2.148	1	5	6	CCc1nc(CC(=O)N2CCC[C@H]2C(=O)NCc2ccco2)cs1
178292802	ZINC000237007443	high	1.1	-12.01	0	367.393	1.839	3	4	7	CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
178292806	ZINC000237005186	ref	2.63	-45.62	1	362.474	1.151	2	4	7	CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cc1
178292808	ZINC000237005186	high	2.3	-13.94	0	362.474	1.151	2	5	7	CCOc1ccc(NC(=O)CN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cc1
342598557	ZINC000590814913	high	4.61	-46.39	-1	288.347	1.523	1	3	4	O=C(NCC(=O)N1CCC[C@H]1C1CC1)c1ccc([O-])cc1
349535864	ZINC000594970228	ref	6.34	-48.32	1	281.359	2.987	1	3	5	COc1cccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1
190492142	ZINC000269410203	ref	6.85	-17.59	0	278.396	2.25	1	2	5	C=CC(=O)NCCC(=O)N1CCC[C@@H]1C1CCCCC1
342598558	ZINC000616985093	ref	6.85	-9.88	0	283.401	1.747	0	6	7	CC[C@@H](C)N(CC)C(=O)CSc1nnnn1C1CC1
342598559	ZINC000590816057	ref	6.16	-12.09	0	272.308	1.461	1	5	2	O=C(c1ncccc1O)N1CCC[C@@H](n2ccnc2)C1
282120375	ZINC000490578022	ref	5.09	-13.31	0	330.406	2.387	1	5	8	CCC(CC)(CNS(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC
365623160	ZINC000121897817	ref	8.61	-12.28	0	299.411	2.382	0	4	6	COC(=O)[C@H](C)CN(C)C(=O)[C@H](C)OC1CCCCCC1
342598560	ZINC000590816057	mid	7.17	-51.19	-1	272.308	1.461	0	5	2	O=C(c1ncccc1[O-])N1CCC[C@@H](n2ccnc2)C1
342598561	ZINC000590816057	low	6.87	-39.99	1	272.308	1.461	1	4	2	O=C(c1ncccc1O)N1CCC[C@@H](n2cc[nH+]c2)C1
190492143	ZINC000269413082	ref	2.54	-22.5	0	276.34	0.606	2	4	5	C=CC(=O)NCCC(=O)N[C@H]1CCCc2c1cnn2C
349535867	ZINC000594970228	mid	5.26	-8.4	0	281.359	2.987	1	4	5	COc1cccc(CNC(C)(C)c2cccc(C#N)c2)n1
349535870	ZINC000594970145	ref	3.97	-47.68	1	292.857	2.576	1	3	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ncc(Cl)s2)C1
342598562	ZINC000590816383	ref	6.72	-15.4	0	285.347	1.995	1	4	3	O=C(Cc1cccc(O)c1)N1CCC[C@@H](n2ccnc2)C1
197597522	ZINC000162868436	ref	6.35	-14.88	0	321.398	3.254	0	4	6	CCC(=O)c1cccc(S(=O)(=O)N(C)[C@H](C)c2ccco2)c1
282120379	ZINC000490578022	high	4.84	-53.04	-1	330.406	2.387	0	5	8	CCC(CC)(C[N-]S(=O)(=O)c1ccc(C)cc1[N+](=O)[O-])OC
282120381	ZINC000424373718	ref	3.07	-53.28	-1	300.336	1.321	1	6	7	CCC(CC)(CNS(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]
398246675	ZINC000394173113	ref	2.96	-6.8	0	240.347	1.697	2	3	7	CCC(C#N)(CC)C(=O)NC[C@H](CO)C(C)C
349535873	ZINC000594970145	mid	2.92	-15.25	0	292.857	2.576	1	4	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2ncc(Cl)s2)C1
190492147	ZINC000269411071	ref	1.05	-15.04	0	267.333	0.016	2	5	5	CCNC(=O)C(C)(C)CNC(=O)c1nnn(C)c1C
349535875	ZINC000594973267	ref	9.17	-37.42	1	261.365	2.591	1	2	5	COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cc(C)cc(C)c1
349535882	ZINC000594970364	ref	9.53	-32.98	1	274.364	2.877	1	3	5	COC(=O)[C@@H]1C[C@H]1[C@@H](C)Nc1[nH+]ccc(C)c1C1CC1
342598563	ZINC000590816383	low	7.43	-39.79	1	285.347	1.995	1	3	3	O=C(Cc1cccc(O)c1)N1CCC[C@@H](n2cc[nH+]c2)C1
282120377	ZINC000301895964	low	7.53	-33.9	1	295.35	1.539	2	6	2	Cc1nc2n(n1)C[C@@H](Nc1nc(N)c3ccccc3[nH+]1)CC2
219048660	ZINC000286548878	ref	7.28	-10.32	0	312.413	3.273	2	3	7	CC1(C)C[C@H]1C(=O)NC[C@@H](NCc1ccccc1)c1ccco1
190492150	ZINC000269412885	ref	-1.52	-18.44	0	285.3	-0.567	3	5	3	CC(C)(C)OC(=O)NCC(=O)N[C@@H]1CCC(=O)NC1=O
349535866	ZINC000093301409	ref	2.29	-8.29	0	280.299	0.993	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@@H]1O
349535869	ZINC000093301403	ref	2.16	-6.17	0	280.299	0.993	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(F)cc2)C[C@H]1O
349535874	ZINC000093299087	ref	1.63	-7.73	0	295.339	0.713	2	5	2	CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1
365623164	ZINC000274322063	ref	1.82	-17.78	0	297.376	1.336	2	4	5	C[C@@H](C[S@@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1
219048662	ZINC000286548878	mid	8.42	-46.48	1	312.413	3.273	2	2	7	CC1(C)C[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)c1ccco1
299072393	ZINC000358088509	mid	7.43	-43.81	1	310.446	1.561	3	4	6	CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCc1ncnn1C(C)(C)C
219048668	ZINC000286550605	ref	4.73	-12.9	0	317.838	1.915	1	3	5	C[C@@H]1CCN(S(=O)(=O)CCc2cccc(Cl)c2)[C@@H]1CO
214176470	ZINC000278475746	ref	8.74	-11.84	0	307.344	3.021	0	3	4	Cc1ccccc1-n1nc(C)c(CN(C)C(=O)C(F)F)c1C
365623168	ZINC000274321687	ref	6.25	-9.23	0	282.727	1.647	0	4	4	COC(=O)C1(C(=O)N(C)Cc2ccc(Cl)nc2)CC1
365623182	ZINC000645272819	ref	6.12	-14.39	0	279.388	1.626	2	4	5	C[C@@H]1CC[C@@H](NC(=O)NCCCc2ncn(C)n2)CC1
299072395	ZINC000358088685	ref	6.95	-14.4	0	322.317	1.423	0	6	5	COc1cc(C(=O)N2CCOC[C@@H]2CC(C)=O)ccc1[N+](=O)[O-]
342598564	ZINC000616984760	ref	7.67	-15.97	0	287.367	1.987	0	5	6	CC[C@H](C)N(CC)C(=O)Cn1nnc(-c2ccccc2)n1
342598565	ZINC000590814886	ref	7.34	-16.57	0	293.33	1.766	0	5	3	O=C(c1ccccc1-n1cccn1)N1CC(n2cccn2)C1
342598566	ZINC000364850126	ref	5.3	-50.85	1	296.374	1.667	2	4	5	Cn1cc([C@H](CO)[NH2+]C2CC(C#N)(c3ccccc3)C2)cn1
342598567	ZINC000364850126	mid	4.1	-10.85	0	296.374	1.667	2	5	5	Cn1cc([C@H](CO)NC2CC(C#N)(c3ccccc3)C2)cn1
342598568	ZINC000590816471	ref	5.33	-10.46	0	263.341	1.352	1	4	2	O=C(N1CCC[C@H](n2ccnc2)C1)C1(O)CCCC1
197597520	ZINC000290105618	ref	7.76	-41.65	1	286.419	2.733	2	1	3	Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C
365623190	ZINC000274322093	ref	6.77	-7.35	0	298.346	1.854	1	4	5	CCCN(Cc1ccccc1)C(=O)C(=O)Nc1cncnc1
178292773	ZINC000037118558	ref	8.64	-34.92	1	247.382	3.99	1	1	3	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H](C)C1CC1
178292775	ZINC000054133777	ref	9.41	-54.67	1	246.354	2.411	1	2	3	Cc1cc2c(n1CC[NH+]1CCCC1)CCCC2=O
178292782	ZINC000054133777	high	6.97	-10.45	0	246.354	2.411	0	3	3	Cc1cc2c(n1CCN1CCCC1)CCCC2=O
185090235	ZINC000096076582	ref	8.14	-38.61	1	296.411	1.126	1	3	2	C[N@@H+]1CCOC[C@@]2(CN(C(=O)CC3CCCC3)CCO2)C1
398246676	ZINC000650861752	mid	7.61	-50.28	1	288.391	1.946	2	2	4	C[C@]1(NC(=O)[C@H]2CCCO2)CC[N@@H+](Cc2ccccc2)C1
178292789	ZINC000049814706	ref	7.12	-4.72	0	209.72	4.044	0	1	0	Cc1cc2c(nc1Cl)[C@H](C)CC[C@@H]2C
178292792	ZINC000041726724	ref	5.53	-38.1	1	206.333	2.888	1	1	0	Cc1cc2c(n1C(C)(C)C)CCC[C@H]2[NH3+]
342083109	ZINC000625342366	mid	6.67	-32.62	1	267.417	1.413	1	2	5	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H]1CCCN(C)C1=O
178292799	ZINC000158724344	ref	3.84	-5.1	0	235.327	2.59	1	3	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC1COC1
398246680	ZINC000650861752	high	5.15	-11.22	0	288.391	1.946	1	3	4	C[C@]1(NC(=O)[C@H]2CCCO2)CCN(Cc2ccccc2)C1
343994437	ZINC000599271251	mid	4.34	-47.1	1	296.411	1.559	2	4	6	C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCCCO1
178292805	ZINC000158724344	mid	5.12	-38.11	1	235.327	2.59	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C1COC1
178292812	ZINC000270784295	ref	2.99	-14.57	0	237.299	1.71	2	3	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)CO
178292823	ZINC000003850499	ref	3.56	-10.89	0	213.244	1.584	3	4	0	Cc1cc2c(ccc3nc(N)nc(N)c32)[nH]1
178292829	ZINC000027209790	ref	5.18	-8.53	0	207.258	0.989	1	4	0	Cc1cc2c(s1)CN1CC(=O)NC1=N2
178292836	ZINC000004007164	ref	5.6	-9.15	0	220.301	1.911	0	5	0	Cc1cc2c(s1)CCCCc1nnnn1-2
398246682	ZINC000650863080	ref	3.78	-10.64	0	274.336	1.183	1	3	5	O=C(NCCOC[C@H]1CCOC1)N1CCC[C@@H](F)C1
178292843	ZINC000071283828	ref	4.22	-24.27	0	231.28	2.677	1	4	0	Cc1cc2c(nc1C)oc1c(=S)[nH]cnc12
136228586	ZINC000182816356	high	1.78	-5.53	0	228.336	1.069	2	3	9	C=CCCOCCNC(=O)[C@@H](N)[C@H](C)CC
178292849	ZINC000063101207	ref	8.09	-11.94	0	245.244	3.268	0	2	2	Cc1cc2c(n1CCC(F)(F)F)CCCC2=O
398246685	ZINC000650860143	ref	3.86	-13.18	0	270.373	1.358	2	3	4	COC[C@@H]1C[C@@H](O)CN1C(=O)NCC1(C)CCCC1
178292859	ZINC000063146706	ref	6.41	-7.89	0	247.363	3.276	1	3	2	Cc1cc2c(n1Cc1ccsc1)CCC[C@@H]2O
136228587	ZINC000191585108	ref	2.36	-14.91	0	209.253	-0.563	0	5	3	CCN1CN(Cc2ncnn2C)CC1=O
178292862	ZINC000052009040	ref	6.7	-13.11	0	247.338	2.792	1	3	1	Cc1cc2c(n1[C@@H]1CCCC[C@@H]1O)CCCC2=O
349535868	ZINC000621245966	ref	3.61	-41.52	1	273.336	2.433	1	4	5	Cc1ccc(COCc2nc(C3([NH3+])CCC3)no2)cc1
214176469	ZINC000053314882	ref	9.73	-12.68	0	339.464	3.707	1	3	3	COc1ccc([C@@H]2CC(c3ccc(C)c(C)c3)=NN2C(N)=S)cc1
349535872	ZINC000621245966	mid	3.35	-8.82	0	273.336	2.433	1	5	5	Cc1ccc(COCc2nc(C3(N)CCC3)no2)cc1
349535877	ZINC000621245055	ref	5.52	-40.87	1	283.335	2.333	2	5	5	C[NH+](C)[C@@H](CNc1nccc2nccnc12)c1ccco1
349535880	ZINC000621245055	mid	3.05	-9.29	0	283.335	2.333	1	6	5	CN(C)[C@@H](CNc1nccc2nccnc12)c1ccco1
349535885	ZINC000621245023	ref	6.2	-13.25	0	276.384	2.092	2	2	6	Cc1n[nH]cc1CCCNC(=O)N1CC(CC2CC2)C1
349535889	ZINC000621245023	mid	6.15	-12.75	0	276.384	2.092	2	2	6	Cc1[nH]ncc1CCCNC(=O)N1CC(CC2CC2)C1
365623166	ZINC000623053059	mid	3.88	-5.91	0	311.183	1.162	1	4	2	O=C(c1nc(C2CC2)ncc1Br)N1CCNCC1
342083110	ZINC000625342366	high	3.48	-5.96	0	267.417	1.413	0	3	5	CCN1CCC[C@H]1CN(CC)[C@@H]1CCCN(C)C1=O
365623174	ZINC000623053392	ref	4.24	-43.52	1	323.194	1.064	2	3	3	O=C(N[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1nc(C2CC2)ncc1Br
365623181	ZINC000623053046	ref	5.74	-46.18	1	317.78	1.083	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21
282120380	ZINC000071874904	ref	6.81	-11.99	0	288.742	1.933	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1ncc(C#N)cc1Cl)CC2
342083111	ZINC000625342294	ref	1.91	-10.5	0	272.37	1.565	1	4	8	CCC[C@H](CNS(=O)(=O)c1ccncc1)OCC
342083112	ZINC000625342335	ref	2.01	-10.83	0	275.399	1.209	1	4	4	C[C@@H]1CCCN(S(=O)(=O)NCc2ccns2)C1
342083113	ZINC000625335353	ref	5.6	-30.56	1	251.378	1.121	1	4	6	CCN(Cc1cn(C)nn1)C[C@H]1CCC[N@@H+]1CC
342083114	ZINC000625335353	mid	4.46	-38.09	1	251.378	1.121	1	4	6	CCN(Cc1cn(C)nn1)C[C@H]1CCC[N@H+]1CC
342083115	ZINC000625342514	ref	2.16	-12.19	0	276.308	1.348	1	2	2	NS(=O)(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1
342083116	ZINC000625342368	ref	6.5	-27.83	1	267.417	1.413	1	2	5	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H]1CCCN(C)C1=O
342083117	ZINC000625342368	mid	5.43	-33.41	1	267.417	1.413	1	2	5	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H]1CCCN(C)C1=O
342083118	ZINC000625342368	high	4.29	-8.67	0	267.417	1.413	0	3	5	CCN1CCC[C@@H]1CN(CC)[C@@H]1CCCN(C)C1=O
342083119	ZINC000402862494	ref	7.46	-5.85	0	260.341	1.916	0	5	4	CCc1nc(C#N)cc(N(CC)[C@H]2CCCOC2)n1
342083120	ZINC000625335042	ref	5.55	-22.85	0	292.314	1.299	2	4	6	CO[C@H](C(=O)NCCc1nnc(C)[nH]1)c1ccc(F)cc1
219048661	ZINC000097694779	ref	6.46	-110.46	2	349.479	0.97	2	5	4	C[NH+]1CCC(n2nc(C3CCOCC3)nc2C[C@H]2C[NH2+]CCO2)CC1
342083121	ZINC000625335042	mid	5.18	-18.78	0	292.314	1.299	2	4	6	CO[C@H](C(=O)NCCc1nc(C)n[nH]1)c1ccc(F)cc1
342083122	ZINC000238034499	ref	5.43	-43.33	-1	298.298	1.513	1	5	3	O=C([O-])c1ccc(C(=O)N[C@@H]2COc3ccccc3C2)nc1
342083123	ZINC000402862485	ref	7.46	-5.89	0	260.341	1.916	0	5	4	CCc1nc(C#N)cc(N(CC)[C@@H]2CCCOC2)n1
342083124	ZINC000625335027	ref	5.58	-22.42	0	292.314	1.299	2	4	6	CO[C@@H](C(=O)NCCc1nnc(C)[nH]1)c1ccc(F)cc1
219048663	ZINC000097694779	high	5.12	-49.04	1	349.479	0.97	2	6	4	C[NH+]1CCC(n2nc(C3CCOCC3)nc2C[C@H]2CNCCO2)CC1
136228588	ZINC000283273842	ref	3.05	-9.18	0	207.229	1.107	1	3	4	CC#CC(=O)N[C@@H](COC)c1ccco1
219048664	ZINC000097696309	ref	8.78	-47.54	1	345.516	3.498	2	4	5	Cc1nnc([C@H]2CCCN2Cc2cc(C[NH+]3CCCCC3)cs2)[nH]1
219048666	ZINC000097696309	mid	8.26	-42.57	1	345.516	3.498	2	4	5	Cc1nc([C@H]2CCCN2Cc2cc(C[NH+]3CCCCC3)cs2)n[nH]1
214176473	ZINC000053307681	ref	8.48	-16.75	0	344.415	2.54	1	5	7	CCN(CC)c1ccc(C(=O)N(C)CC(=O)Nc2cc(C)on2)cc1
219048667	ZINC000097696309	low	11.47	-85.23	2	345.516	3.498	3	3	5	Cc1nnc([C@H]2CCC[N@@H+]2Cc2cc(C[NH+]3CCCCC3)cs2)[nH]1
349535878	ZINC000093299198	ref	2.62	-8.18	0	294.355	0.461	2	5	3	CCCn1nccc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](O)C1
398246678	ZINC000649444173	ref	6.39	-3.53	0	204.313	3.279	1	1	4	C=C(C)c1ccccc1C[C@H](O)C(C)C
398246681	ZINC000649444165	ref	6.32	-4.42	0	217.312	3.329	0	2	3	C=C(C)c1ccc(OC)c(N2CCCC2)c1
219048669	ZINC000097696309	low	10.63	-88.76	2	345.516	3.498	3	3	5	Cc1nnc([C@H]2CCC[N@H+]2Cc2cc(C[NH+]3CCCCC3)cs2)[nH]1
219048670	ZINC000097696309	high	8.2	-68.6	0	345.516	3.498	1	4	5	Cc1nnc([C@H]2CCCN2Cc2cc(C[NH+]3CCCCC3)cs2)[n-]1
178292807	ZINC000082786612	ref	5.06	-7.88	0	270.105	2.443	2	2	1	N=C1CCC(c2ccc(F)c(Br)c2)=NN1
282120382	ZINC000328888520	ref	7.96	-53.42	1	320.441	1.231	2	4	2	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[N@@H+](C(C)C)CC1)CC2
178292809	ZINC000082786612	mid	5.0	-40.65	1	270.105	2.443	2	1	1	[NH2+]=C1CCC(c2ccc(F)c(Br)c2)=NN1
342083125	ZINC000625335027	mid	5.21	-18.85	0	292.314	1.299	2	4	6	CO[C@@H](C(=O)NCCc1nc(C)n[nH]1)c1ccc(F)cc1
342083126	ZINC000008002955	ref	4.22	-17.57	0	263.341	1.429	3	2	5	CNC(=O)NC(=O)C[NH2+][C@@H](c1ccccc1)C(C)C
349535883	ZINC000093300012	ref	2.49	-8.64	0	287.319	0.726	2	4	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2)C[C@H]1O
349535887	ZINC000093299652	ref	2.28	-6.56	0	280.299	0.993	2	3	1	C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2F)C[C@@H]1O
349535891	ZINC000093292489	ref	3.17	-52.99	1	284.404	0.683	4	2	6	CC(C)NC(=O)CCNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1
214176483	ZINC000278475331	ref	2.61	-19.2	0	322.405	1.057	1	5	7	COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@H](C)c2cccnc2)C1
214176487	ZINC000278473677	ref	5.31	-17.15	0	317.357	1.4	0	3	2	C[C@H]1CN(C(=O)Cc2ccc(F)cc2F)CCS(=O)(=O)C1
190492162	ZINC000269413425	ref	5.2	-9.3	0	279.355	2.424	2	2	4	C[C@H](Cc1ccccc1F)C(=O)N[C@H]1CCCC[C@H]1O
349535895	ZINC000093299088	ref	1.65	-7.78	0	295.339	0.713	2	5	2	CCc1noc(C)c1NC(=O)C(=O)N1CC[C@H](C)[C@@H](O)C1
349535899	ZINC000093300108	ref	0.92	-8.09	0	292.339	0.207	2	5	2	CCc1ncc(NC(=O)C(=O)N2CC[C@H](C)[C@H](O)C2)cn1
349535903	ZINC000093299196	ref	2.49	-7.43	0	294.355	0.461	2	5	3	CCCn1nccc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](O)C1
214176491	ZINC000278473784	ref	5.61	-12.61	0	324.396	2.653	0	4	7	COCCC[C@H](C)C(=O)N1CCC(Oc2ncccc2F)CC1
214176495	ZINC000278475908	ref	5.12	-7.83	0	313.327	2.041	0	5	2	C[C@H](N1CCN(c2ccnc3c2cnn3C)CC1)C(F)(F)F
197597524	ZINC000162878322	ref	7.57	-11.72	0	324.384	2.775	1	5	5	Cc1ccc(CNC(=O)c2cc(Cn3cc(C)cn3)on2)c(C)c1
342598569	ZINC000590816471	low	6.04	-34.82	1	263.341	1.352	1	3	2	O=C(N1CCC[C@H](n2cc[nH+]c2)C1)C1(O)CCCC1
342598570	ZINC000616984768	ref	4.46	-13.08	0	290.429	1.305	0	3	5	CC[C@@H](C)N(CC)C(=O)C1CCN(S(C)(=O)=O)CC1
342598571	ZINC000616985049	ref	6.18	-16.17	0	288.351	1.438	0	5	5	CC[C@@H](C)N(CC)C(=O)Cn1nnc2ccccc2c1=O
214176499	ZINC000278473673	ref	6.69	-41.4	1	318.396	2.79	1	4	4	Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@H]2C)nnn1-c1ccc(F)cc1
323004220	ZINC000566507659	high	-0.09	-12.86	0	241.335	0.145	3	3	5	CC(C)NCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1
342598572	ZINC000590815101	ref	5.01	-13.25	0	273.34	1.239	1	4	4	Cc1n[nH]c(C)c1CCC(=O)N1CC(n2cccn2)C1
342598573	ZINC000590814914	ref	3.66	-10.99	0	288.347	1.523	2	3	4	O=C(NCC(=O)N1CCC[C@@H]1C1CC1)c1ccc(O)cc1
342598574	ZINC000590814914	high	4.44	-47.32	-1	288.347	1.523	1	3	4	O=C(NCC(=O)N1CCC[C@@H]1C1CC1)c1ccc([O-])cc1
342598575	ZINC000616984973	ref	6.28	-18.28	0	281.381	1.61	0	5	4	CC[C@@H](C)N(CC)C(=O)c1cnc2n(c1=O)CCS2
342598576	ZINC000590816840	ref	5.29	-13.65	0	263.341	1.643	1	3	4	N#CCCCNC(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1
178292810	ZINC000237013387	ref	4.51	-50.04	1	367.515	1.595	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178292813	ZINC000237013387	high	4.17	-13.88	0	367.515	1.595	1	4	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1
178292815	ZINC000237009271	ref	7.21	-55.01	1	373.457	1.052	2	5	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CC[NH2+][C@H](C)C3)cc(C(C)C)nc21
342598577	ZINC000590816841	ref	4.86	-13.58	0	263.341	1.643	1	3	4	N#CCCCNC(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1
342600612	ZINC000617000163	ref	2.87	-38.26	1	281.356	1.533	2	4	4	COc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)on1
342600613	ZINC000617000163	mid	2.88	-38.54	1	281.356	1.533	2	4	4	COc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)on1
342600614	ZINC000616999725	ref	6.47	-41.74	1	292.427	1.589	2	3	5	Cn1nccc1CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
178292818	ZINC000237009271	mid	5.94	-15.06	0	373.457	1.052	2	6	4	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN[C@H](C)C3)cc(C(C)C)nc21
178292819	ZINC000237014238	ref	7.77	-56.96	1	365.433	1.865	2	3	8	CC[NH2+]CCNC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O
342600615	ZINC000616999725	mid	6.41	-41.47	1	292.427	1.589	2	3	5	Cn1nccc1CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600616	ZINC000616999442	ref	3.99	-36.21	1	270.417	1.63	3	2	4	CC(C)[C@@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
197597551	ZINC000162872859	ref	5.94	-16.84	0	303.337	2.463	2	3	3	Cc1ccc(CNC(=O)Nc2cn(C)c(=O)cc2C)cc1F
342600617	ZINC000616999442	mid	3.94	-35.95	1	270.417	1.63	3	2	4	CC(C)[C@@](C)(O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600618	ZINC000616999818	ref	4.95	-52.55	1	291.395	1.946	3	2	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc(=O)[nH]1
342600619	ZINC000616999818	mid	4.89	-51.93	1	291.395	1.946	3	2	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc(=O)[nH]1
349535886	ZINC000594970364	mid	9.19	-6.83	0	274.364	2.877	1	4	5	COC(=O)[C@@H]1C[C@H]1[C@@H](C)Nc1nccc(C)c1C1CC1
230234000	ZINC000331105089	mid	1.15	-40.9	1	265.26	-1.185	3	3	5	C[N@H+]1CCO[C@H](C(=O)NCC(=O)NCC(F)F)C1
168365599	ZINC000039134825	ref	-1.67	-42.57	1	158.226	0.524	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1nccs1
230234005	ZINC000331128685	ref	-0.53	-24.27	0	293.341	-1.006	2	6	4	COC(=O)[C@@](C)(O)CNC(=O)[C@H]1CCCCS1(=O)=O
230234011	ZINC000331137231	ref	1.21	-14.53	0	283.328	-1.028	1	5	3	COC(=O)[C@@]1(C)CCCN1CC(=O)N1CCNC(=O)C1
230234015	ZINC000331083805	ref	2.57	-21.69	0	257.29	-1.56	1	4	5	CNC(=O)CC(=O)N1CCN(CCOC)C(=O)C1
343994438	ZINC000079932446	mid	8.14	-30.47	0	263.337	2.38	1	3	4	COc1ccc(C[N@H+]2CC[C@@H](C)C[C@H]2C(=O)[O-])cc1
185090237	ZINC000096076582	mid	7.54	-37.9	1	296.411	1.126	1	3	2	C[N@H+]1CCOC[C@@]2(CN(C(=O)CC3CCCC3)CCO2)C1
185090238	ZINC000096076582	high	5.23	-8.2	0	296.411	1.126	0	4	2	CN1CCOC[C@]2(C1)CN(C(=O)CC1CCCC1)CCO2
343994442	ZINC000079927224	ref	8.19	-18.5	0	298.306	2.367	1	7	5	CCn1cnnc1CNc1ccc([N+](=O)[O-])c2cnccc12
365623167	ZINC000625036856	ref	7.05	-20.37	0	305.422	2.256	1	2	2	O=C1[C@H](NC(=O)N2C3CCCC2CCC3)CCN1C1CCC1
365623176	ZINC000625036851	ref	5.67	-17.28	0	307.438	2.265	2	2	4	C[C@@H]1CCCC[C@@H]1CNC(=O)N[C@H]1CCN(C2CCC2)C1=O
342083127	ZINC000008002955	high	4.22	-17.57	0	263.341	1.429	3	3	5	CNC(=O)NC(=O)CN[C@@H](c1ccccc1)C(C)C
342083128	ZINC000625341974	ref	4.28	-11.08	0	299.383	1.964	0	3	5	CC[C@H](CS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1)OC
282120383	ZINC000130373350	ref	6.37	-42.43	1	295.427	1.537	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)C1
282120388	ZINC000337891949	ref	6.28	-42.33	1	305.369	1.74	2	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2OC(F)F)C1
365623184	ZINC000625031915	ref	7.15	-18.32	0	305.422	2.114	1	2	2	O=C1[C@H](NC(=O)N2CCC[C@@H]3CCC[C@@H]32)CCN1C1CCC1
365623189	ZINC000625038137	ref	4.35	-8.46	0	317.373	2.404	0	3	4	CCC(C)(C)CS(=O)(=O)N1C[C@@H](C)O[C@@H](C(F)(F)F)C1
342083129	ZINC000625334849	ref	4.93	-12.08	0	289.36	1.647	1	4	2	CC[C@H]1C(=O)NCCN1C(=O)c1nccc2ccsc12
342083130	ZINC000625342160	ref	4.9	-9.21	0	278.278	1.99	1	3	4	CCN(CC)C(=O)NCc1c(C(F)(F)F)cnn1C
365623196	ZINC000625037422	ref	4.92	-12.09	0	319.401	2.242	1	4	5	COc1ccc(C2(NC(=O)C3CC(OC)C3)CCOCC2)cc1
365623204	ZINC000625032720	ref	6.8	-12.13	0	304.398	2.083	1	6	9	CCOCCCn1c(-c2cn[nH]c2)nnc1N(CC)C1CC1
365623212	ZINC000625037267	ref	6.53	-19.44	0	321.343	2.124	1	2	5	CCN(CCC(F)(F)F)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365623218	ZINC000625033310	ref	5.37	-12.52	0	315.373	2.245	1	5	4	CCc1c(C(=O)N[C@H]2CCOc3c(OC)cccc32)cnn1C
342083131	ZINC000617965159	ref	7.11	-8.68	0	277.397	1.991	1	6	4	CC(C)(C#N)CNc1cc(N2CCSCC2)ncn1
282120390	ZINC000251664346	ref	7.49	-42.23	1	321.465	1.927	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)C1
282120394	ZINC000374936996	ref	6.65	-48.38	1	308.426	0.733	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC(=O)N3CCCC[C@@H]23)C1
178292821	ZINC000237016864	ref	4.64	-65.82	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1
219048671	ZINC000097696203	ref	9.16	-46.66	1	341.43	3.404	2	2	5	Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)cnc1C
219048672	ZINC000097696203	mid	6.43	-8.69	0	341.43	3.404	1	3	5	Cc1cc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCCC2)cnc1C
219048673	ZINC000097696165	ref	2.03	-21.04	0	340.449	-0.05	0	6	5	CN(C)c1ccc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)cn1
178292824	ZINC000237006621	ref	4.83	-49.97	1	352.523	1.009	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1
178292825	ZINC000237006621	high	4.49	-13.99	0	352.523	1.009	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1
219048674	ZINC000097694700	ref	9.27	-12.59	0	329.4	2.265	0	5	7	CCN(CCC(=O)OC)C(=O)c1cnn(Cc2ccccc2)c1C
219048675	ZINC000097696112	ref	2.89	-16.67	0	328.347	1.875	3	4	5	O=C1C[C@H](C(=O)NCCNc2cccnc2)c2cc(F)ccc2N1
365623170	ZINC000121845022	ref	4.19	-7.28	0	285.428	2.497	2	3	10	CC(C)C[C@H](C)OCCC(=O)NCC1(CCO)CCC1
365623179	ZINC000121853822	ref	4.14	-40.85	1	277.29	2.087	3	2	3	Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F
219048677	ZINC000097694807	ref	6.25	-53.69	-1	327.344	1.718	1	7	4	Cc1nc2ccc(-c3nc([C@@H]4CCOC4)nn3CC(=O)[O-])cc2[nH]1
178292827	ZINC000237003950	ref	3.48	-54.52	1	367.515	1.963	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1
185090240	ZINC000096075980	ref	6.54	-39.68	1	260.385	1.48	1	3	4	Cn1ccnc1CN1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
178292830	ZINC000237004450	ref	2.31	-55.83	1	353.488	1.765	3	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1
178292832	ZINC000237005817	ref	2.19	-57.57	1	368.503	1.825	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1
178292834	ZINC000237005991	ref	5.87	-51.76	1	353.488	1.155	1	3	7	CC[NH2+]CC1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)CC1
136228589	ZINC000283260855	ref	6.12	-15.01	0	203.245	1.487	1	2	2	C#CCN(C)C(=O)Nc1ccc(C)cn1
178292837	ZINC000237013426	ref	3.77	-56.2	1	353.488	1.001	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1
178292840	ZINC000237013426	high	3.4	-14.99	0	353.488	1.001	1	4	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@H](CN)c2ccccc2)CC1
349535888	ZINC000258945322	high	5.55	-44.64	1	240.35	2.744	2	1	5	Cc1ccccc1CNCc1ccc(C[NH3+])cc1
282120384	ZINC000424373718	mid	2.82	-114.72	-2	300.336	1.321	0	6	7	CCC(CC)(C[N-]S(=O)(=O)c1ccc(C#N)o1)C(=O)[O-]
282120386	ZINC000490534859	ref	5.29	-8.85	0	313.463	3.294	1	3	8	CCC(CC)(CNS(=O)(=O)c1ccccc1C(C)C)OC
342598578	ZINC000616985804	ref	5.5	-8.62	0	270.373	1.272	0	3	6	CC[C@@H](C)N(CC)C(=O)CCC(=O)N1CCOCC1
342598579	ZINC000590818285	ref	4.88	-49.58	1	276.427	1.461	1	3	7	CN(C)S(=O)(=O)CCC[N@H+](C)Cc1ccsc1
342598580	ZINC000590818285	mid	4.83	-49.61	1	276.427	1.461	1	3	7	CN(C)S(=O)(=O)CCC[N@@H+](C)Cc1ccsc1
342598581	ZINC000590818285	mid	2.51	-10.87	0	276.427	1.461	0	4	7	CN(CCCS(=O)(=O)N(C)C)Cc1ccsc1
342598582	ZINC000590818825	ref	2.91	-14.02	0	276.377	1.477	2	2	4	C[S@](=O)C1(CNC(=O)NC2CC(C)(F)C2)CCC1
342598583	ZINC000590817900	ref	5.37	-35.85	1	270.417	1.6	1	3	8	COCCCCC[NH+]1CCN(C[C@H]2CCCO2)CC1
342598584	ZINC000590817900	mid	5.2	-32.2	1	270.417	1.6	1	3	8	COCCCCCN1CC[NH+](C[C@H]2CCCO2)CC1
365623175	ZINC000565300886	high	4.3	-36.07	-1	278.308	1.911	0	5	3	O=[N+]([O-])c1ccc([O-])cc1CN1CC[C@@H]2OCC[C@@H]2C1
398246679	ZINC000076765628	ref	4.36	-11.12	0	229.226	2.33	1	2	5	CCOCCC(=O)Nc1ccc(F)c(F)c1
199273191	ZINC000294963870	high	2.61	-6.34	0	275.396	1.595	2	3	7	CCN(CCNC(=O)[C@H](N)c1ccccc1C)C1CC1
365623180	ZINC000172828046	ref	2.06	-9.15	0	293.348	1.744	1	6	6	COc1cccc(O[C@@H](C)CNC(=O)c2cnsn2)c1
219048676	ZINC000286549963	ref	3.56	-20.75	0	321.406	1.385	1	7	6	COc1nc(C)cc(C)c1CSc1nnc(C)n1CC(N)=O
219048679	ZINC000286548582	ref	5.65	-9.15	0	304.394	2.119	1	4	3	CCC1CCC2(CC1)NC(=O)N(Cc1cc(C)nn1C)C2=O
365623191	ZINC000172821151	ref	4.73	-16.55	0	278.356	1.327	1	4	4	CCN1C[C@H](C(=O)Nc2c(C)nn(CC)c2C)CC1=O
342598585	ZINC000590817900	high	2.98	-4.67	0	270.417	1.6	0	4	8	COCCCCCN1CCN(C[C@H]2CCCO2)CC1
219048682	ZINC000286549268	ref	7.38	-22.88	0	320.389	1.685	0	4	7	CO[C@H](C)CN(C)C(=O)COc1cccc(N2CCCC2=O)c1
342598586	ZINC000590818442	ref	6.08	-31.76	1	284.444	1.99	1	3	8	COCCCCC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1
365623197	ZINC000172827013	ref	5.83	-15.32	0	251.33	1.883	1	4	5	CCO[C@@H]1C[C@@H]1C(=O)Nc1c(C)nn(CC)c1C
342598587	ZINC000590818442	mid	6.23	-31.84	1	284.444	1.99	1	3	8	COCCCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1
199273194	ZINC000294964821	ref	4.87	-43.53	1	282.359	2.124	2	2	6	CCN(C)C(=O)[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C(C)C
342598588	ZINC000590818442	mid	6.17	-31.28	1	284.444	1.99	1	3	8	COCCCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1
342083132	ZINC000625334981	ref	2.96	-13.72	0	262.4	1.999	1	4	7	CCC[C@@H](C)CS(=O)(=O)NCc1ccns1
178292831	ZINC000082786691	ref	5.17	-8.04	0	270.105	2.443	2	2	1	N=C1CCC(c2ccc(Br)cc2F)=NN1
365623188	ZINC000121853822	mid	2.57	-39.89	1	277.29	2.087	3	2	3	Cc1n[nH]c(C)c1[C@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F
365623193	ZINC000121853822	mid	2.42	-6.83	0	277.29	2.087	2	3	3	Cc1n[nH]c(C)c1[C@H]1CCCN1C[C@H](O)C(F)(F)F
282120385	ZINC000328888520	mid	7.82	-52.38	1	320.441	1.231	2	4	2	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCC[N@H+](C(C)C)CC1)CC2
282120387	ZINC000328888520	mid	7.98	-53.57	1	320.441	1.231	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CCC[N@@H+](C(C)C)CC1)CC2
365623201	ZINC000121852943	ref	6.09	-15.88	0	265.284	2.119	0	3	1	C[C@H]1CC[C@@H](C(=O)N2CCOc3ccc(F)cc32)O1
365623209	ZINC000121886373	ref	5.26	-9.22	0	291.395	2.073	1	3	4	CC(C)N(C)C(=O)NCc1ccccc1N1CCOCC1
178292833	ZINC000082786691	mid	5.11	-38.73	1	270.105	2.443	2	1	1	[NH2+]=C1CCC(c2ccc(Br)cc2F)=NN1
342083133	ZINC000625341980	ref	4.3	-9.82	0	299.383	1.964	0	3	5	CC[C@H](CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1)OC
342083134	ZINC000625334983	ref	2.76	-11.99	0	297.405	1.688	1	5	5	CN(C)c1cccc(S(=O)(=O)NCc2ccns2)c1
365623225	ZINC000121936345	ref	7.64	-9.41	0	254.399	2.325	1	2	5	C#CCN(C(=O)N[C@H](C)CSC)C1CCCC1
365623239	ZINC000121912169	ref	9.4	-15.14	0	270.336	2.127	0	4	2	Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C)n1cncn1
343994439	ZINC000139325927	high	-0.76	-50.66	-1	114.1	-0.721	1	3	0	O=C1CCC(O)=C1[O-]
365623250	ZINC000121843343	ref	2.73	-10.03	0	297.42	2.133	2	3	4	Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H](O)C2)cc1C
342083135	ZINC000625342055	ref	2.07	-16.24	0	297.302	1.434	1	4	6	C=CCCS(=O)(=O)NCc1c(C(F)(F)F)cnn1C
342083136	ZINC000625334958	ref	1.17	-14.35	0	276.383	1.132	1	5	6	O=S(=O)(CC[C@@H]1CCCO1)NCc1ccns1
342083137	ZINC000625335017	ref	3.78	-11.16	0	281.377	1.623	1	3	6	C=CCCS(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
365623262	ZINC000121844195	ref	4.31	-14.09	0	262.357	2.057	3	2	4	Cc1cc(C[C@H](C)NC(=O)N[C@H]2C=CCCC2)[nH]n1
342083138	ZINC000625334949	ref	0.92	-13.11	0	286.382	1.468	2	5	5	CC(C)c1nc(S(=O)(=O)NCc2ccns2)c[nH]1
342083139	ZINC000625334949	high	0.37	-48.41	-1	286.382	1.468	1	5	5	CC(C)c1nc(S(=O)(=O)[N-]Cc2ccns2)c[nH]1
349535890	ZINC000594973313	ref	7.57	-48.52	1	270.332	2.578	2	2	4	COC(=O)c1cc(C[NH2+][C@@H]2CCc3ccccc32)c[nH]1
343994441	ZINC000139355632	ref	7.23	-6.14	0	194.661	3.332	0	1	2	CC(=O)/C(C)=C/c1ccc(Cl)cc1
365623273	ZINC000121844195	mid	4.62	-12.11	0	262.357	2.057	3	2	4	Cc1cc(C[C@H](C)NC(=O)N[C@H]2C=CCCC2)n[nH]1
219048678	ZINC000097694807	mid	6.26	-64.96	-1	327.344	1.718	1	7	4	Cc1nc2cc(-c3nc([C@@H]4CCOC4)nn3CC(=O)[O-])ccc2[nH]1
365623195	ZINC000623052541	ref	5.59	-16.57	0	309.454	1.624	1	3	5	CC1CCC(NC(=O)[C@H](C)N(C)CC(=O)N2CCCC2)CC1
342598589	ZINC000590818442	mid	6.08	-31.76	1	284.444	1.99	1	3	8	COCCCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1
197597561	ZINC000162873010	ref	6.56	-11.62	0	317.389	2.552	1	3	1	C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)C[C@@H]1C
342598590	ZINC000616985403	ref	5.7	-14.72	0	264.281	1.894	1	4	4	CC[C@@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCOC1
219048680	ZINC000097694807	low	6.69	-62.39	0	327.344	1.718	1	6	4	Cc1[nH]c2cc(-c3nc([C@@H]4CCOC4)nn3CC(=O)[O-])ccc2[nH+]1
282120389	ZINC000328888520	mid	7.86	-52.57	1	320.441	1.231	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CCC[N@H+](C(C)C)CC1)CC2
197597568	ZINC000162868406	ref	5.69	-9.7	0	304.39	3.083	2	3	4	COc1ccc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c(C)c1
197597570	ZINC000162873699	ref	4.26	-10.79	0	308.378	2.697	2	4	5	CCc1ncsc1C(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1
342598591	ZINC000590817988	ref	6.47	-8.44	0	255.343	1.628	1	4	3	CCc1cc(NC(=O)N2CC[C@@H](SC)C2)no1
342598592	ZINC000616985426	ref	5.0	-13.04	0	294.307	1.902	1	5	5	CC[C@@]1(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CCOC1
342598593	ZINC000590817980	ref	6.11	-15.56	0	262.313	1.863	2	4	4	CCc1cc(NC(=O)N[C@H]2CC[C@@H](CC#N)C2)no1
342598594	ZINC000364844134	ref	4.7	-39.75	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO
342598595	ZINC000364844134	mid	4.67	-39.69	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO
219048681	ZINC000097694807	low	6.7	-61.03	0	327.344	1.718	1	6	4	Cc1[nH]c2ccc(-c3nc([C@@H]4CCOC4)nn3CC(=O)[O-])cc2[nH+]1
342598596	ZINC000364844134	mid	4.98	-43.65	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@@H+]1CCC[C@H]1CN1CCC[C@@H]1CO
342598597	ZINC000364844134	mid	4.47	-44.74	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@H+]1CCC[C@H]1CN1CCC[C@@H]1CO
197597587	ZINC000162864982	ref	4.5	-15.25	0	304.39	2.249	2	3	8	CCC(CC)(NC(=O)c1ccc(OCC2CC2)cc1)C(N)=O
342598598	ZINC000616985902	ref	7.72	-20.93	0	273.34	1.923	0	5	5	CC[C@@H](C)N(CC)C(=O)c1cccc(-n2cnnn2)c1
342598599	ZINC000590817248	ref	4.92	-10.3	0	296.367	1.006	1	4	3	COC(=O)C1(CNC(=O)N2CC(C)(C)[C@@H]3COC[C@@H]32)CC1
342598600	ZINC000590817896	ref	5.52	-34.82	1	270.417	1.598	1	3	7	CC(C)OCCC[NH+]1CCN(C[C@H]2CCCO2)CC1
178292842	ZINC000237016320	ref	4.31	-55.9	1	353.488	1.447	2	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)NC[C@@H]2CCC[NH2+]C2)c1
178292845	ZINC000237006349	ref	5.4	-56.76	1	369.412	1.946	1	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
178292846	ZINC000237006349	high	5.12	-15.65	0	369.412	1.946	1	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
178292848	ZINC000237008478	ref	4.53	-44.2	1	359.536	1.333	2	3	8	CCC[C@H](C)CS(=O)(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178292852	ZINC000237003611	ref	4.78	-52.95	1	367.515	1.835	2	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC(C[NH2+]C)CC2)cc1
178292855	ZINC000237017260	ref	5.92	-52.76	1	372.513	1.483	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
178292856	ZINC000237017260	high	5.65	-15.31	0	372.513	1.483	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
178292860	ZINC000237009767	ref	8.85	-46.61	1	360.502	1.915	1	4	8	CCN(CC1CCN(c2ccccn2)CC1)C(=O)C[NH2+]C[C@H]1CCCO1
365623198	ZINC000336542737	ref	6.42	-9.12	0	259.353	2.474	1	2	2	Cc1cnccc1CNC(=O)N1CC[C@H]2CCC[C@H]21
178292864	ZINC000237009767	low	9.17	-81.39	2	360.502	1.915	1	3	8	CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[NH2+]C[C@H]1CCCO1
178292866	ZINC000237009767	high	7.51	-12.64	0	360.502	1.915	1	5	8	CCN(CC1CCN(c2ccccn2)CC1)C(=O)CNC[C@H]1CCCO1
178292870	ZINC000237016118	ref	10.42	-66.57	-1	359.426	1.973	1	6	7	CCCn1c(=O)n(CCC(=O)N[C@@H]2CCC[C@@H]2C(=O)[O-])c2ccccc21
178292873	ZINC000237017583	ref	6.95	-89.5	2	356.474	1.544	3	4	6	Cc1c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)nnn1C1CC[NH2+]CC1
178292876	ZINC000237017583	high	4.56	-51.29	1	356.474	1.544	2	5	6	Cc1c(C(=O)N[C@H](CN(C)C)c2ccccc2)nnn1C1CC[NH2+]CC1
178292878	ZINC000237004735	ref	3.65	-53.08	1	367.515	1.883	3	3	8	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1
178292880	ZINC000237010463	ref	2.29	-49.86	1	366.893	1.384	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1
178292884	ZINC000237010463	high	1.95	-13.38	0	366.893	1.384	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN([C@@H](C(N)=O)c2ccc(Cl)cc2)CC1
136228590	ZINC000283240435	ref	5.49	-38.02	1	208.305	1.0	2	1	3	CC#CC(=O)NC[C@H]1CCCC[N@H+]1CC
136228591	ZINC000283240435	mid	6.03	-37.92	1	208.305	1.0	2	1	3	CC#CC(=O)NC[C@H]1CCCC[N@@H+]1CC
365623199	ZINC000274319420	ref	4.05	-13.11	0	291.355	1.247	2	4	4	CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cncnc2)C1
365623210	ZINC000274322310	ref	3.05	-9.74	0	260.087	1.751	1	3	4	CCC(=O)CNC(=O)c1occc1Br
365623217	ZINC000274323670	ref	1.04	-12.37	0	280.324	1.152	2	4	4	COc1ccc2c(c1)[C@@H](NC(=O)N(C)CCO)CCO2
365623221	ZINC000274320431	ref	1.83	-19.87	0	283.349	1.098	2	5	6	O=C1O[C@@H](CSC[C@@H](O)CO)CN1c1ccccc1
365623227	ZINC000274322128	ref	4.62	-53.25	1	273.336	1.884	2	3	7	C[C@@H](CCc1ccccc1)[NH2+]Cc1cc(C(N)=O)no1
185090242	ZINC000096075980	mid	6.52	-39.24	1	260.385	1.48	1	3	4	Cn1ccnc1CN1CC[C@@]2(CC[N@H+]2CC2CC2)C1
185090244	ZINC000096075980	low	6.93	-79.12	2	260.385	1.48	1	2	4	Cn1cc[nH+]c1CN1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
185090246	ZINC000096075980	low	6.9	-79.74	2	260.385	1.48	1	2	4	Cn1cc[nH+]c1CN1CC[C@@]2(CC[N@H+]2CC2CC2)C1
185090247	ZINC000096075980	high	3.38	-7.11	0	260.385	1.48	0	4	4	Cn1ccnc1CN1CC[C@@]2(CCN2CC2CC2)C1
185090249	ZINC000096077366	ref	7.65	-14.03	0	286.375	2.298	0	2	2	CC(C)C(=O)N1CC[C@]2(CC(=O)N(c3ccccc3)C2)C1
185090250	ZINC000096076055	ref	5.76	-37.42	1	278.371	2.122	1	2	5	COCC[N@@H+]1CC[C@]2(CCN2Cc2ccc(F)cc2)C1
185090252	ZINC000096076055	mid	5.49	-37.63	1	278.371	2.122	1	2	5	COCC[N@H+]1CC[C@]2(CCN2Cc2ccc(F)cc2)C1
342598601	ZINC000590817896	mid	5.35	-31.81	1	270.417	1.598	1	3	7	CC(C)OCCCN1CC[NH+](C[C@H]2CCCO2)CC1
342598602	ZINC000590817896	high	3.12	-4.31	0	270.417	1.598	0	4	7	CC(C)OCCCN1CCN(C[C@H]2CCCO2)CC1
342598603	ZINC000590818257	ref	4.21	-14.28	0	277.299	1.674	2	3	5	CCO[C@H]1C[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1
185090253	ZINC000096076055	high	3.36	-3.59	0	278.371	2.122	0	3	5	COCCN1CC[C@]2(CCN2Cc2ccc(F)cc2)C1
185090257	ZINC000096075942	ref	2.64	-35.39	1	291.395	1.387	1	4	6	COCC[N@@H+]1CC[C@]12CCN(Cc1ccc(OC)nc1)C2
185090259	ZINC000096075942	mid	2.66	-37.09	1	291.395	1.387	1	4	6	COCC[N@H+]1CC[C@]12CCN(Cc1ccc(OC)nc1)C2
342598604	ZINC000590818854	ref	7.17	-99.74	2	294.443	1.296	3	3	7	CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)Cn2cccn2)CC1
342598605	ZINC000590818854	mid	7.14	-98.41	2	294.443	1.296	3	3	7	CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)Cn2cccn2)CC1
342598606	ZINC000590818254	ref	4.21	-14.32	0	277.299	1.674	2	3	5	CCO[C@@H]1C[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1
342598607	ZINC000590818827	ref	5.91	-14.14	0	299.374	1.969	2	3	4	N#Cc1cccc(CCNC(=O)N[C@H]2CC23CCOCC3)c1
197597572	ZINC000290104454	ref	2.85	-12.38	0	269.37	1.143	1	4	6	C=C(C)CS(=O)(=O)NCc1ncccc1N(C)C
365623203	ZINC000623052541	low	7.74	-42.22	1	309.454	1.624	2	2	5	CC1CCC(NC(=O)[C@H](C)[N@H+](C)CC(=O)N2CCCC2)CC1
349535892	ZINC000258999519	ref	2.9	-42.3	1	234.299	0.909	2	3	4	c1cc2c(cc1CCN[C@@H]1CC[NH2+]C1)OCO2
365623208	ZINC000623052541	low	7.76	-38.63	1	309.454	1.624	2	2	5	CC1CCC(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CCCC2)CC1
365623214	ZINC000623053725	ref	2.7	-54.96	1	309.366	1.667	2	4	4	COc1cc(NC(=O)N2CCC[C@H]([NH3+])C2)cc(OC)c1OC
349535896	ZINC000258999519	mid	4.12	-124.59	2	234.299	0.909	2	2	4	c1cc2c(cc1CC[NH2+][C@@H]1CC[NH2+]C1)OCO2
349535901	ZINC000258929114	ref	6.58	-7.37	0	208.058	2.986	0	1	1	C=C(C#N)c1ccccc1Br
398246683	ZINC000076769285	ref	7.42	-34.61	1	238.4	2.594	1	2	6	CSC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1
398246686	ZINC000335875085	ref	5.66	-18.5	0	206.22	1.789	0	2	2	CCN(C)C(=O)c1cccc(F)c1C#N
398246688	ZINC000335871796	ref	6.03	-55.62	1	238.294	2.058	2	3	3	N#Cc1ccc2c(c1)[C@H](NCc1cc[nH]n1)CC2
398246690	ZINC000335871796	mid	6.07	-47.25	1	238.294	2.058	2	2	3	N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]n1)CC2
398246692	ZINC000335871796	low	6.03	-55.62	1	238.294	2.058	2	2	3	N#Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccn[nH]1)CC2
398246694	ZINC000313441259	ref	8.06	-13.39	0	240.306	2.737	1	2	3	N#CCc1cccc(NC(=O)[C@@H]2[C@H]3CCC[C@H]32)c1
168365605	ZINC000083591379	ref	3.54	-56.56	0	171.24	1.225	1	2	2	C[C@@H]([NH3+])[C@@H]1CCCC[C@@H]1C(=O)[O-]
398246696	ZINC000394173019	ref	1.46	-8.54	0	212.293	0.917	2	3	6	CC[C@@H](C#N)C(=O)NC[C@@H](CO)C(C)C
398246698	ZINC000394175501	ref	0.65	-8.59	0	227.304	0.259	2	3	5	CC(C)[C@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21
398246701	ZINC000394173114	ref	2.29	-8.06	0	240.347	1.697	2	3	7	CCC(C#N)(CC)C(=O)NC[C@@H](CO)C(C)C
398246703	ZINC000097153187	ref	8.45	-37.44	1	221.348	2.083	1	2	6	C[C@@H](C1CC1)[N@H+](C)CCCc1cnn(C)c1
398246705	ZINC000097153187	mid	8.42	-37.02	1	221.348	2.083	1	2	6	C[C@@H](C1CC1)[N@@H+](C)CCCc1cnn(C)c1
365623222	ZINC000623051444	ref	1.37	-10.64	0	315.464	1.565	2	5	5	CN(C)c1ccc(S(N)(=O)=O)cc1NC[C@H]1CCSC1
342598608	ZINC000590817156	ref	5.9	-16.57	0	280.349	1.953	0	5	7	COCCN(CCC#N)C(=O)c1ccc(C(C)=O)s1
178305583	ZINC000019277386	low	3.35	-99.18	2	219.288	0.973	2	2	3	Cc1cc2[nH+]cn(C[C@@H](O)C[NH3+])c2cc1C
398246707	ZINC000394173613	ref	3.76	-8.07	0	249.354	2.298	2	2	5	Cc1cccc(C)c1C(=O)NC[C@@H](CO)C(C)C
398246710	ZINC000076769118	ref	3.82	-45.7	1	238.356	1.627	2	2	6	CSC[C@@H](C)[NH2+]Cc1ccc(C(N)=O)cc1
197597582	ZINC000290108006	ref	3.33	-15.69	0	282.296	0.814	0	6	7	COCCN(CC(=O)OC)C(=O)c1ocnc1C1CC1
219048683	ZINC000097695892	ref	7.14	-15.92	0	343.814	3.182	1	3	4	O=C(NCc1ccc(N2CCCCC2=O)cc1)c1cccnc1Cl
219048685	ZINC000097695347	ref	7.14	-13.14	0	328.368	3.299	1	5	7	CCCCOc1cccc(NC(=O)c2ccc(C(=O)OC)nc2)c1
214176477	ZINC000053305326	ref	7.03	-45.84	1	327.432	1.192	1	4	5	C[NH+](C)CCN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1
219048686	ZINC000097696163	ref	7.29	-18.77	0	345.449	3.157	0	6	5	CC(=O)c1cc(CC(=O)N(C)Cc2ccc3nsnc3c2)cs1
168365318	ZINC000368507875	low	9.07	-40.52	1	341.48	3.362	2	3	5	Cc1ccc(-c2csc(C[N@H+]3CCC[C@@H]3C(=O)NC3CC3)n2)cc1
342083140	ZINC000625335178	ref	4.03	-31.6	1	270.417	1.188	2	3	7	CCO[C@H](C[N@@H+]1CCN(C[C@H](C)O)C[C@@H]1C)C1CC1
197597597	ZINC000290107673	ref	0.76	-15.05	0	287.266	1.394	3	4	7	C=C[C@H](CO)NC(=O)Nc1cccc(OCC(F)F)n1
342083141	ZINC000625335178	mid	3.8	-29.67	1	270.417	1.188	2	3	7	CCO[C@H](C[N@H+]1CCN(C[C@H](C)O)C[C@@H]1C)C1CC1
342083142	ZINC000625335178	mid	4.73	-33.77	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@H+](C[C@H](C)O)C[C@@H]1C)C1CC1
342083143	ZINC000625335178	mid	4.99	-33.85	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C1CC1
342083144	ZINC000625335178	high	2.51	-3.01	0	270.417	1.188	1	4	7	CCO[C@H](CN1CCN(C[C@H](C)O)C[C@@H]1C)C1CC1
342083145	ZINC000625334931	ref	1.15	-19.0	0	273.339	1.059	1	6	5	Cc1cc(CS(=O)(=O)NCc2ccns2)no1
342083146	ZINC000625334931	high	0.76	-44.33	-1	273.339	1.059	0	6	5	Cc1cc(CS(=O)(=O)[N-]Cc2ccns2)no1
342083147	ZINC000625342403	ref	3.81	-10.69	0	292.383	1.78	0	5	5	CC[C@H]1C(=O)N(CC)CCN1Cc1noc(C2CCC2)n1
342083148	ZINC000625335431	ref	3.4	-11.29	0	266.263	1.312	1	2	3	CC[C@@H]1C(=O)NCCN1C(=O)C[C@H](C)C(F)(F)F
342083149	ZINC000625335388	ref	3.38	-8.8	0	276.402	1.074	0	3	6	COCCC1CCN(S(=O)(=O)N(C)C2CC2)CC1
342083150	ZINC000238033361	ref	3.65	-107.03	2	261.369	1.416	2	1	5	[NH3+]C[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1
342083151	ZINC000625335433	ref	3.77	-12.61	0	266.263	1.312	1	2	3	CC[C@H]1C(=O)NCCN1C(=O)C[C@H](C)C(F)(F)F
342083152	ZINC000625342176	ref	2.01	-7.28	0	281.356	1.621	1	6	6	CCO[C@H]1COCC[C@H]1NCc1noc(C2CCC2)n1
342083153	ZINC000625342176	low	3.19	-39.19	1	281.356	1.621	1	5	6	CCO[C@H]1COCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1
342083154	ZINC000625342178	ref	1.65	-6.12	0	281.356	1.621	1	6	6	CCO[C@H]1COCC[C@@H]1NCc1noc(C2CCC2)n1
365623205	ZINC000436004223	ref	5.72	-11.73	0	263.26	1.781	1	5	2	Cc1nc(C(=O)Nc2cc(C#N)ccn2)ccc1C#N
342083155	ZINC000625342178	low	2.83	-36.02	1	281.356	1.621	1	5	6	CCO[C@H]1COCC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1
342083156	ZINC000625342478	ref	4.64	-10.55	0	283.416	1.091	1	3	5	CC[C@H]1C(=O)N(CC)CCN1CC(=O)NCC(C)(C)C
342083157	ZINC000625342203	ref	1.95	-11.41	0	289.401	1.212	1	5	8	CCC[C@@H](CNS(=O)(=O)c1cnn(C)c1C)OCC
342083158	ZINC000625334973	ref	4.04	-17.05	0	264.251	1.36	2	3	5	Cc1nnc(CCNC(=O)C[C@H](C)C(F)(F)F)[nH]1
342083159	ZINC000625334973	mid	3.67	-13.43	0	264.251	1.36	2	3	5	Cc1n[nH]c(CCNC(=O)C[C@H](C)C(F)(F)F)n1
342083160	ZINC000402862065	ref	5.07	-9.76	0	276.315	1.071	0	4	4	N#Cc1ccc(C(=O)N2CCN(CCCF)CC2)nc1
342083161	ZINC000402862065	mid	7.3	-47.95	1	276.315	1.071	1	3	4	N#Cc1ccc(C(=O)N2CC[NH+](CCCF)CC2)nc1
342083162	ZINC000625334982	ref	2.95	-13.65	0	262.4	1.999	1	4	7	CCC[C@H](C)CS(=O)(=O)NCc1ccns1
342083163	ZINC000625342365	ref	6.68	-33.38	1	267.417	1.413	1	2	5	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H]1CCCN(C)C1=O
342083164	ZINC000625342365	mid	5.43	-34.21	1	267.417	1.413	1	2	5	CCN(C[C@H]1CCC[N@H+]1CC)[C@H]1CCCN(C)C1=O
342083165	ZINC000625342365	high	4.75	-5.81	0	267.417	1.413	0	3	5	CCN(C[C@H]1CCCN1CC)[C@H]1CCCN(C)C1=O
342083166	ZINC000625335079	ref	0.16	-12.16	0	275.38	1.387	1	6	4	Cc1ncc(S(=O)(=O)NCc2ccns2)s1
365623233	ZINC000172819610	ref	5.17	-17.91	0	266.316	1.524	1	2	5	C[C@H](C(=O)NCCC(=O)N(C)C)c1cccc(F)c1
342083167	ZINC000625335079	high	-0.24	-39.59	-1	275.38	1.387	0	6	4	Cc1ncc(S(=O)(=O)[N-]Cc2ccns2)s1
342083168	ZINC000608890555	ref	8.44	-18.41	0	274.32	1.813	0	4	4	CCOC(=O)CN(C)C(=O)c1cccc2c1ccn2C
136228592	ZINC000283240435	high	3.8	-7.19	0	208.305	1.0	1	2	3	CC#CC(=O)NC[C@H]1CCCCN1CC
342083169	ZINC000608890651	ref	3.15	-21.74	0	296.286	1.027	3	4	4	N#Cc1ccc(C(=O)NCC(=O)Nc2ccc[nH]c2=O)cc1
365623238	ZINC000172822056	ref	4.09	-10.39	0	273.34	1.404	0	6	3	Cc1cc(CN2CCN(c3ccnc(C)n3)CC2)on1
342083170	ZINC000625335082	ref	1.51	-16.22	0	285.291	1.268	1	4	5	CCCS(=O)(=O)NCc1c(C(F)(F)F)cnn1C
342083171	ZINC000046671039	ref	1.73	-16.52	0	293.367	1.247	3	3	8	COCCCNC(=O)C[C@H](NC(N)=O)c1cccc(C)c1
342083172	ZINC000625334980	ref	4.04	-16.97	0	264.251	1.36	2	3	5	Cc1nnc(CCNC(=O)C[C@@H](C)C(F)(F)F)[nH]1
342083173	ZINC000625334980	mid	3.67	-13.42	0	264.251	1.36	2	3	5	Cc1n[nH]c(CCNC(=O)C[C@@H](C)C(F)(F)F)n1
361822884	ZINC000629301440	low	2.39	-13.26	0	270.314	1.08	1	6	4	CCc1oncc1NS(=O)(=O)c1cnc(C)n1C
214176479	ZINC000053305326	high	4.54	-10.3	0	327.432	1.192	0	5	5	CN(C)CCN1CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1
342598609	ZINC000590817628	ref	6.12	-19.4	0	293.367	1.279	0	5	5	Cn1cc([C@@H]2CCCN2C(=O)COC[C@@H]2CCCO2)cn1
214176482	ZINC000053322185	ref	5.35	-23.1	0	335.448	1.343	2	3	6	O=C(CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)NC1CCCC1
197597599	ZINC000162862844	ref	3.06	-9.12	0	305.346	2.199	1	3	3	C[C@@H]1CC(NS(=O)(=O)c2cc(F)ccc2F)C[C@@H](C)O1
197597602	ZINC000162862844	mid	2.84	-43.76	-1	305.346	2.199	0	3	3	C[C@@H]1CC([N-]S(=O)(=O)c2cc(F)ccc2F)C[C@@H](C)O1
342598610	ZINC000624159106	ref	4.86	-4.08	0	291.273	1.763	1	5	3	COc1cc(C(F)(F)F)nc(N[C@@H]2CCOC[C@@H]2C)n1
185090261	ZINC000096075942	mid	2.1	-43.65	1	291.395	1.387	1	4	6	COCCN1CC[C@]12CC[N@H+](Cc1ccc(OC)nc1)C2
342598611	ZINC000590817551	ref	5.39	-21.29	0	273.34	1.673	2	3	4	CC1(C2(NC(=O)N=c3ccn(CCC#N)[nH]3)CC2)CC1
342598612	ZINC000590817181	ref	7.46	-13.97	0	250.342	1.256	0	2	4	CN(CC(=O)N1CCC[C@H]1C1CC1)C(=O)C1CC1
349535893	ZINC000621244428	ref	6.13	-41.16	1	289.37	2.205	3	1	6	C[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[C@H]1CC1(F)F
185090263	ZINC000096075942	mid	2.08	-43.4	1	291.395	1.387	1	4	6	COCCN1CC[C@]12CC[N@@H+](Cc1ccc(OC)nc1)C2
361822889	ZINC000439596357	ref	5.29	-22.11	0	275.356	1.776	2	3	4	C[C@H]1CCC[C@@H]1CNC(=O)N=c1ccn(CCC#N)[nH]1
361822897	ZINC000629301278	ref	4.2	-50.53	-1	291.275	1.169	1	4	4	Cc1ccc(S(=O)(=O)NC2(C(=O)[O-])CC2)c(F)c1F
361822903	ZINC000629301278	high	4.02	-133.74	-2	291.275	1.169	0	4	4	Cc1ccc(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c(F)c1F
361822908	ZINC000640340779	ref	2.45	-17.94	0	277.349	1.707	2	3	1	CCC1(O)CN(C(=O)N=c2[nH]sc3ccccc23)C1
361822912	ZINC000640340779	mid	3.17	-56.92	-1	277.349	1.707	1	3	1	CCC1(O)CN(C(=O)N=c2[n-]sc3ccccc23)C1
361822917	ZINC000640340805	ref	3.11	-12.87	0	268.313	1.287	0	5	8	COCCOCCN(C)C(=O)c1cnc(C2CC2)o1
361822925	ZINC000629300174	ref	3.36	-39.74	-1	292.364	1.495	0	5	3	Cn1nncc1S(=O)(=O)[N-]c1ccc2c(c1)CCCC2
361822933	ZINC000629300174	low	3.33	-11.24	0	292.364	1.495	1	5	3	Cn1nncc1S(=O)(=O)Nc1ccc2c(c1)CCCC2
361822940	ZINC000629299824	ref	6.12	-52.21	-1	289.397	1.692	0	4	4	CC(C)C1(S(=O)(=O)N2CCC[C@@](C)(C(=O)[O-])C2)CC1
361822948	ZINC000629299158	ref	6.25	-56.06	-1	289.397	1.69	0	4	4	CC(C)C1(S(=O)(=O)N2CC[C@H](C)C[C@H]2C(=O)[O-])CC1
185090264	ZINC000096075942	high	-0.35	-5.34	0	291.395	1.387	0	5	6	COCCN1CC[C@]12CCN(Cc1ccc(OC)nc1)C2
342598613	ZINC000616985922	ref	3.72	-14.85	0	298.408	1.855	1	3	6	CC[C@@H](C)N(CC)C(=O)c1cccc(S(=O)(=O)NC)c1
214176484	ZINC000293466267	ref	3.0	-20.82	0	354.374	0.463	2	8	6	Cc1c(C(=O)NCCC(=O)Nc2ccncc2)nnn1-c1ccn(C)n1
214176488	ZINC000293465912	ref	2.6	-8.17	0	369.228	0.867	2	5	5	CS[C@@H](CO)[C@H](C)NC(=O)c1cnn(C)c1I
282952229	ZINC000417087465	ref	5.21	-93.27	2	286.464	1.779	4	1	10	CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CC(C)C)C[NH+](C)C
342598614	ZINC000197292054	ref	7.48	-43.47	1	295.339	1.675	2	4	8	CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])ccc1OC
365623206	ZINC000336542884	ref	4.22	-44.64	1	285.322	2.09	1	2	1	O=C1C[C@@]2(CCN(c3cc[nH+]c4cc(F)ccc34)C2)CN1
365623211	ZINC000336542884	mid	3.78	-12.46	0	285.322	2.09	1	3	1	O=C1C[C@@]2(CCN(c3ccnc4cc(F)ccc34)C2)CN1
365623216	ZINC000336543070	ref	6.42	-16.72	0	289.339	2.016	1	5	3	C[C@H](NC(=O)N1CCC[C@@H]1c1ccco1)c1ncn(C)n1
214176493	ZINC000293468319	ref	2.3	-14.54	0	360.819	0.929	1	5	4	CCOC1CN(C(=O)C(=O)Nc2cccc(Cl)c2S(C)(=O)=O)C1
214176496	ZINC000293463215	ref	4.16	-11.8	0	352.391	0.171	2	7	8	CCN(CC)c1ccc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)cn1
214176498	ZINC000293474751	ref	5.9	-14.34	0	361.398	0.92	1	6	3	COC(=O)c1cc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)cn1C
342598615	ZINC000616985404	ref	5.73	-16.35	0	264.281	1.894	1	4	4	CC[C@]1(NC(=O)c2ccccc2[N+](=O)[O-])CCOC1
342598616	ZINC000590818415	ref	7.74	-46.01	1	293.411	1.6	1	3	7	COCCCCC[NH+]1CCN(C(=O)c2cccn2C)CC1
365623223	ZINC000336543069	ref	6.39	-16.52	0	289.339	2.016	1	5	3	C[C@H](NC(=O)N1CCC[C@H]1c1ccco1)c1ncn(C)n1
365623229	ZINC000336542857	ref	4.86	-14.09	0	284.315	2.447	0	4	1	Cc1cc(C(=O)N2CCN3CCOc4cccc2c43)co1
365623240	ZINC000336542750	ref	6.88	-42.37	1	260.362	2.222	1	2	3	CN(Cc1csc2ccccc12)C(=O)[C@H]1CC[NH2+]1
365623247	ZINC000336543150	ref	7.2	-43.07	1	280.371	2.456	2	1	3	O=C(NCc1cccc2ccccc12)[C@@H]1C[C@]12CC[NH2+]C2
365623254	ZINC000336542771	ref	6.33	-6.17	0	250.342	2.143	1	2	3	CC1CCC(CN2C(=O)N[C@H](C3CC3)C2=O)CC1
349535894	ZINC000594973313	high	6.4	-8.29	0	270.332	2.578	2	3	4	COC(=O)c1cc(CN[C@@H]2CCc3ccccc32)c[nH]1
365623261	ZINC000336543100	ref	6.89	-44.15	1	256.349	2.113	2	1	2	O=C(Nc1ccc2c(c1)CCC2)[C@@H]1C[C@]12CC[NH2+]C2
282120391	ZINC000165030551	ref	4.34	-54.34	-1	321.345	2.134	1	4	7	CCC(CC)(CNS(=O)(=O)c1cc(F)ccc1F)C(=O)[O-]
398246684	ZINC000649444141	ref	5.67	-8.33	0	245.278	1.605	0	3	3	C=C(C)c1cccc(CN2C(=O)COCC2=O)c1
282120393	ZINC000165030551	mid	4.42	-121.71	-2	321.345	2.134	0	4	7	CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)[O-]
349535897	ZINC000621244428	mid	5.82	-41.78	1	289.37	2.205	3	1	6	C[C@H]1CCCC[N@H+]1CCNC(=O)NCC[C@H]1CC1(F)F
349535900	ZINC000621244428	high	3.63	-10.12	0	289.37	2.205	2	2	6	C[C@H]1CCCCN1CCNC(=O)NCC[C@H]1CC1(F)F
349535904	ZINC000621245144	ref	6.61	-13.89	0	259.353	2.066	1	2	5	O=C(NCCc1ccccn1)N1CC(CC2CC2)C1
349535910	ZINC000621244704	ref	3.81	-14.22	0	292.314	2.372	2	4	5	CCn1cc(NC(=O)NCc2cc(OC)ccc2F)cn1
349535914	ZINC000621244641	ref	9.05	-14.09	0	298.39	2.256	1	3	5	CC1(c2ccccc2)CN(C(=O)NCCCn2ccnc2)C1
349535918	ZINC000621244641	low	9.56	-41.65	1	298.39	2.256	1	2	5	CC1(c2ccccc2)CN(C(=O)NCCCn2cc[nH+]c2)C1
349535923	ZINC000621246534	ref	4.97	-15.63	0	299.334	2.083	3	5	6	C[C@H](CCc1ccco1)Nc1ncnc2[nH]cc(C(N)=O)c12
349535928	ZINC000621246534	low	5.33	-37.89	1	299.334	2.083	3	4	6	C[C@H](CCc1ccco1)Nc1[nH+]cnc2[nH]cc(C(N)=O)c12
282120395	ZINC000322061093	ref	5.21	-54.62	-1	343.401	1.643	1	6	8	CCC(CC)(CNS(=O)(=O)c1cccc(C(=O)OC)c1)C(=O)[O-]
190492184	ZINC000269412490	ref	7.99	-10.16	0	283.375	3.224	0	3	2	CC(C)c1ccc(C(=O)N2CCn3cccc3[C@H]2C)cn1
349535932	ZINC000621247280	ref	6.22	-41.31	1	254.761	2.08	2	1	7	C[N@H+](CCCCc1cccc(Cl)c1)CC(N)=O
178292869	ZINC000037118595	ref	8.24	-37.65	1	233.355	3.601	1	1	3	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]CC1CC1
349535935	ZINC000621247280	mid	6.22	-41.39	1	254.761	2.08	2	1	7	C[N@@H+](CCCCc1cccc(Cl)c1)CC(N)=O
190492187	ZINC000269414351	ref	4.42	-8.51	0	295.404	2.439	2	4	5	Cc1ccc(C(=O)CCC(=O)N[C@H]2CCCC[C@H]2O)s1
349535937	ZINC000621247280	high	3.95	-8.94	0	254.761	2.08	1	2	7	CN(CCCCc1cccc(Cl)c1)CC(N)=O
178292872	ZINC000075619823	ref	7.96	-45.21	-1	210.298	2.951	0	3	2	Cc1cc2c(s1)CCC[C@@H]2CC(=O)[O-]
136228593	ZINC000191586372	ref	3.51	-11.29	0	230.308	0.394	1	3	6	CCO[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)CC
178292879	ZINC000094080453	ref	4.89	-41.07	1	248.37	2.553	2	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CC[NH2+]C1
178292881	ZINC000094080453	low	5.43	-114.81	2	248.37	2.553	2	1	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H]1CC[NH2+]C1
178292885	ZINC000000025758	ref	3.29	-13.1	0	229.191	1.052	1	4	0	Cc1cc2c(o1)C(=O)c1cc(=O)[nH]cc1C2=O
398246687	ZINC000650862581	ref	3.31	-10.39	0	286.322	1.778	3	2	8	O=C(NCCCc1cccc(F)c1)N[C@@H](CO)CCF
219048687	ZINC000286549239	ref	5.76	-9.16	0	321.396	2.404	2	3	4	O=C(NCc1c(F)cccc1N1CCCC1)NC1CCOCC1
398246689	ZINC000650863112	ref	2.65	-13.53	0	294.33	1.162	3	4	6	Cc1cccc2nc(CNC(=O)N[C@@H](CO)CCF)cn12
178292906	ZINC000038764949	ref	6.69	-5.04	0	240.144	3.421	0	1	0	Cc1cc2c(nc1Br)CCCCC2
178292911	ZINC000027995355	ref	3.27	-12.91	0	229.191	1.052	1	4	0	Cc1cc2c(o1)C(=O)c1c[nH]c(=O)cc1C2=O
178292917	ZINC000085399183	ref	6.02	-7.59	0	218.174	2.895	0	2	0	Cc1cc2c(o1)C[C@H](C(F)(F)F)CC2=O
398246691	ZINC000650863112	low	3.09	-33.04	1	294.33	1.162	3	3	6	Cc1cccc2[nH+]c(CNC(=O)N[C@@H](CO)CCF)cn12
178292925	ZINC000041730837	ref	1.88	-44.79	1	221.304	1.008	2	2	3	Cc1cc2c(n1CCC(N)=O)CCC[C@H]2[NH3+]
185090266	ZINC000096079241	ref	9.62	-11.43	0	294.398	3.696	1	1	1	C[C@@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21
136228594	ZINC000191580471	ref	6.99	-16.76	0	240.263	1.293	0	5	5	CCCN(C)C(=O)c1nn(CC)cc1[N+](=O)[O-]
178292929	ZINC000037118594	ref	8.23	-37.79	1	233.355	3.601	1	1	3	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]CC1CC1
185090268	ZINC000096076065	ref	5.06	-41.46	1	292.398	2.247	2	2	4	CC(C)(O)C[N@@H+]1CC[C@]2(CCN2Cc2ccc(F)cc2)C1
398246693	ZINC000650865381	ref	2.53	-9.5	0	296.342	1.771	3	3	9	C=CCOc1ccccc1CNC(=O)N[C@H](CO)CCF
178292935	ZINC000094080447	ref	4.88	-40.0	1	248.37	2.553	2	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@@H]1CC[NH2+]C1
178292938	ZINC000094080447	low	5.86	-118.68	2	248.37	2.553	2	1	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@@H]1CC[NH2+]C1
398249484	ZINC000650875541	ref	4.26	-16.28	0	297.399	1.11	2	3	7	CC(C)N1CC[C@@H](NC(=O)N[C@@H](C)COCC2CC2)C1=O
178292943	ZINC000050422254	ref	7.05	-48.3	1	245.33	1.309	1	4	2	Cc1cc2c(n1Cc1nncn1C)CCC[C@H]2[NH3+]
178292951	ZINC000038417196	ref	5.32	-13.36	0	215.208	2.293	1	4	0	Cc1cc2c(o1)c(=O)n(O)c1ccccc21
178292957	ZINC000038417196	high	6.36	-69.98	-1	215.208	2.293	0	4	0	Cc1cc2c(o1)c(=O)n([O-])c1ccccc21
168365319	ZINC000368501365	ref	8.23	-11.56	0	328.441	3.049	1	5	2	Nc1ncnc2sc3c(c12)CCN(C(=O)CC1=CCCCC1)C3
178292962	ZINC000029124628	ref	4.53	-40.74	1	229.283	2.438	1	3	2	Cc1cc2c(ccc3cnn(C[C@H](C)[NH3+])c32)o1
178292967	ZINC000090377147	ref	9.19	-6.44	0	223.319	3.936	0	1	1	Cc1cc2c(nc1-c1ccccc1)CCCC2
190492189	ZINC000269408887	ref	-0.49	-17.6	0	267.329	-0.159	3	3	7	C=CC(=O)NCCC(=O)NCC1(C(N)=O)CCCC1
349535898	ZINC000594971112	ref	7.92	-51.55	1	298.289	2.622	1	3	8	O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCO[C@@H]1CC1(F)F
282120392	ZINC000287698316	ref	7.11	-9.93	0	322.21	2.479	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1nccc(C)c1Br)CC2
219048688	ZINC000097695407	ref	4.99	-9.98	0	336.432	2.591	2	4	8	COCCCOc1ccccc1NC(=O)[C@H](C)NC(=O)C(C)(C)C
219048690	ZINC000097694993	ref	4.96	-11.51	0	342.443	2.493	3	2	4	CCc1cccc2c(C3CCN(C(=O)[C@@H](C)NC(N)=O)CC3)c[nH]c12
219048692	ZINC000097694655	ref	-1.87	-35.29	1	328.413	-1.639	4	7	8	COCCn1cncc1CN1CC[N@@H+](C(CO)CO)C[C@H](O)C1
219048693	ZINC000097694655	mid	-1.65	-35.21	1	328.413	-1.639	4	7	8	COCCn1cncc1CN1CC[N@H+](C(CO)CO)C[C@H](O)C1
219048695	ZINC000097694655	mid	-3.71	-10.56	0	328.413	-1.639	3	8	8	COCCn1cncc1CN1CCN(C(CO)CO)C[C@H](O)C1
214176486	ZINC000053303831	ref	7.89	-51.4	1	337.424	1.664	2	5	6	C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1
136228595	ZINC000182816372	ref	2.61	-42.13	1	228.336	1.069	2	2	9	C=CCCOCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC
178292887	ZINC000237013066	ref	4.52	-52.27	1	367.515	1.595	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178292890	ZINC000237013066	high	4.2	-14.08	0	367.515	1.595	1	4	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1
349535902	ZINC000594971112	high	6.49	-12.89	0	298.289	2.622	1	4	8	O=[N+]([O-])c1ccccc1/C=C\CNCCO[C@@H]1CC1(F)F
282120396	ZINC000287698316	low	7.44	-38.34	1	322.21	2.479	1	4	2	Cc1nc2n(n1)C[C@@H](Nc1[nH+]ccc(C)c1Br)CC2
190492194	ZINC000269414204	ref	5.8	-42.69	1	298.386	2.792	2	2	7	CCOc1ccc(CNC(=O)C[C@@H]([NH3+])c2ccccc2)cc1
190492195	ZINC000269414204	high	5.43	-8.51	0	298.386	2.792	2	3	7	CCOc1ccc(CNC(=O)C[C@@H](N)c2ccccc2)cc1
349535906	ZINC000594972532	ref	7.7	-52.61	1	268.316	2.851	1	3	5	N#Cc1ccc(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2)o1
349535909	ZINC000594972532	mid	6.4	-8.47	0	268.316	2.851	1	4	5	N#Cc1ccc(CN[C@@H]2C[C@@H](Oc3ccccc3)C2)o1
178292891	ZINC000237017665	ref	3.27	-51.88	1	359.517	1.263	2	4	7	CC[NH2+]CC1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1
178292894	ZINC000237017665	high	3.13	-75.2	0	359.517	1.263	1	4	7	CC[NH2+]CC1CCN(C(=O)[C@@H](C)[N-]S(=O)(=O)c2cccs2)CC1
136228596	ZINC000182816372	high	2.33	-5.62	0	228.336	1.069	2	3	9	C=CCCOCCNC(=O)[C@@H](N)[C@@H](C)CC
365623215	ZINC000617376266	ref	2.45	-8.85	0	271.357	0.971	1	4	5	COC[C@H](NC(=O)C1CCOCC1)C1CCOCC1
365623220	ZINC000617374570	ref	3.59	-13.29	0	298.383	0.557	1	4	6	COC[C@H](NC(=O)CN1CCCCC1=O)C1CCOCC1
365623228	ZINC000617375786	ref	3.64	-9.23	0	256.346	0.93	1	3	6	CCCC(=O)NCC(=O)N1CCC(OCC)CC1
365623236	ZINC000617383868	ref	0.92	-47.65	-1	290.279	0.896	1	5	2	O=C(c1n[nH]c(=O)[n-]c1=O)N1CCC(c2ccco2)CC1
365623245	ZINC000617375712	ref	3.57	-17.54	0	269.345	0.429	1	3	4	CCOC1CCN(C(=O)CN2CCCNC2=O)CC1
178292898	ZINC000237006650	ref	-0.31	-12.9	0	368.484	1.931	3	6	7	CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2csc(CN)n2)c1
178292900	ZINC000237006650	mid	0.09	-58.33	1	368.484	1.931	3	5	7	CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)c2csc(C[NH3+])n2)c1
178292902	ZINC000237009737	ref	8.84	-45.93	1	360.502	1.915	1	4	8	CCN(CC1CCN(c2ccccn2)CC1)C(=O)C[NH2+]C[C@@H]1CCCO1
178292903	ZINC000237009737	low	9.16	-79.71	2	360.502	1.915	1	3	8	CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C[NH2+]C[C@@H]1CCCO1
178292905	ZINC000237009737	high	7.4	-13.04	0	360.502	1.915	1	5	8	CCN(CC1CCN(c2ccccn2)CC1)C(=O)CNC[C@@H]1CCCO1
178292908	ZINC000237010159	ref	3.89	-17.38	0	351.476	1.696	1	6	8	CCN(CC)S(=O)(=O)c1ccc([C@@H](C)NCc2cnnn2C)cc1
178292910	ZINC000237010159	mid	5.01	-66.75	1	351.476	1.696	1	5	8	CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cnnn2C)cc1
178292912	ZINC000237015025	ref	3.58	-45.69	1	355.866	1.772	2	4	8	CCCOc1c(Cl)cc(C(=O)NCCN2CC[NH2+]CC2)cc1OC
178292914	ZINC000237003222	ref	7.21	-44.29	1	356.47	1.889	2	4	9	CCc1ccc(-n2nc(C(=O)NCC[NH2+]CCOC)c3c2CCC3)cc1
178292916	ZINC000237003222	high	5.79	-12.13	0	356.47	1.889	2	5	9	CCc1ccc(-n2nc(C(=O)NCCNCCOC)c3c2CCC3)cc1
178292919	ZINC000237002491	ref	5.57	-47.75	1	373.906	1.806	1	3	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[NH2+]CC2)c1
178292922	ZINC000237002491	high	4.28	-11.33	0	373.906	1.806	1	4	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCCNCC2)c1
178292924	ZINC000237004101	ref	2.68	-42.46	1	359.348	1.259	3	3	5	CCN(Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c1)C(=O)C(F)(F)F
214176489	ZINC000053319664	ref	7.74	-16.72	0	335.36	2.173	2	6	4	COC(=O)C1(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)CCCCCC1
365623255	ZINC000617375502	ref	2.81	-11.39	0	298.383	0.413	1	4	5	COC[C@@H](NC(=O)[C@H]1CCN(C)C(=O)C1)C1CCOCC1
219048689	ZINC000286550493	ref	9.3	-15.22	0	305.809	3.093	1	3	6	CC(C)[C@H](CNC(=O)Cn1ccnc1)c1ccc(Cl)cc1
214176492	ZINC000053301479	ref	7.45	-11.33	0	338.329	3.379	2	2	2	O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)c2ccccc2[nH]1
214176494	ZINC000053301479	high	7.1	-41.3	-1	338.329	3.379	1	2	2	O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)c2ccccc2[n-]1
214176497	ZINC000053313762	ref	12.45	-18.51	0	341.319	3.616	0	6	5	CC(=O)Oc1cc(/C=C/c2ccc([N+](=O)[O-])cc2)cc(OC(C)=O)c1
219048691	ZINC000286550493	low	9.82	-38.01	1	305.809	3.093	1	2	6	CC(C)[C@H](CNC(=O)Cn1cc[nH+]c1)c1ccc(Cl)cc1
342083174	ZINC000625342127	ref	5.17	-16.27	0	290.338	1.844	2	2	3	C[C@H](C(=O)N[C@H]1CCc2ccc(F)cc21)[C@H]1CCC(=O)N1
398246695	ZINC000650862049	ref	7.28	-44.91	1	298.39	1.814	2	3	4	Cn1ccc(C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)n1
398246697	ZINC000650862049	mid	7.26	-44.43	1	298.39	1.814	2	3	4	Cn1ccc(C(=O)N[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)n1
398246699	ZINC000650862049	high	4.8	-10.26	0	298.39	1.814	1	4	4	Cn1ccc(C(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)n1
398246700	ZINC000650862582	ref	3.31	-10.4	0	286.322	1.778	3	2	8	O=C(NCCCc1cccc(F)c1)N[C@H](CO)CCF
398246702	ZINC000650860225	ref	4.77	-16.77	0	299.273	1.846	1	4	4	O=C(NCCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCCO1
398246704	ZINC000650862500	ref	9.01	-56.67	1	299.378	1.059	2	4	5	C[C@]1(NC(=O)Cn2cncn2)CC[N@H+](Cc2ccccc2)C1
342083175	ZINC000238066935	ref	2.81	-53.1	1	297.355	1.057	1	3	3	N#Cc1ccc(S(=O)(=O)N2CCC[C@@H](C[NH3+])C2)c(F)c1
342083176	ZINC000608890511	ref	4.27	-11.99	0	297.314	1.506	2	4	5	Cc1occc1CNC(=O)CNC(=O)c1ccc(C#N)cc1
398246706	ZINC000650862500	mid	9.0	-56.31	1	299.378	1.059	2	4	5	C[C@]1(NC(=O)Cn2cncn2)CC[N@@H+](Cc2ccccc2)C1
214176501	ZINC000053303624	ref	8.76	-42.25	1	337.508	2.262	2	2	5	C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CN2CCCCCC2=O)C1
214176504	ZINC000053299116	ref	7.56	-104.04	2	340.265	1.703	2	1	5	C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc(Br)c1
398249485	ZINC000370053958	ref	5.62	-33.34	1	235.327	2.169	2	2	2	Cc1ccc(O)c(C[N@H+]2CCOC[C@H](C)C2)c1
214176507	ZINC000053299116	mid	7.55	-103.93	2	340.265	1.703	2	1	5	C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc(Br)c1
168365609	ZINC000054161416	ref	1.33	-37.39	1	183.255	1.257	1	3	2	C[C@@H]([NH3+])Cc1noc(C(C)(C)C)n1
197597609	ZINC000162867183	ref	7.49	-11.31	0	309.409	3.345	2	2	5	C[C@H](CCC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1
214176502	ZINC000337605196	ref	3.95	-16.96	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC(=O)C[C@@H]1C
214176511	ZINC000337602622	ref	-1.07	-10.56	0	265.26	0.32	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[C@H]1OC(F)F
214176517	ZINC000337604141	ref	4.02	-39.37	1	269.389	0.842	1	2	4	CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
214176526	ZINC000337605792	ref	7.25	-16.33	0	277.311	2.127	1	3	5	CC[C@@H](C(=O)NCC1CCC(F)(F)CC1)C(=O)OC
214176536	ZINC000337604718	ref	6.96	-8.73	0	277.393	3.147	1	5	3	Cc1sc2ncnc(NC[C@]3(C)CCOC3)c2c1C
214176543	ZINC000337604112	ref	2.18	-14.63	0	253.302	0.028	1	5	4	C[C@@H]1[C@H](CO)CCN1C(=O)COc1cnn(C)c1
361822894	ZINC000340552548	ref	9.07	-16.01	0	280.328	1.891	0	5	5	CC[C@H]1CCCN1C(=O)CCn1cc([N+](=O)[O-])nc1C
361822901	ZINC000562824861	ref	7.16	-41.36	1	290.411	1.948	2	2	2	C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCC1
361822907	ZINC000562824861	mid	7.73	-40.61	1	290.411	1.948	2	2	2	C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCC1
361822911	ZINC000562824861	mid	5.48	-7.94	0	290.411	1.948	1	3	2	C[C@H]1CN2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCC1
361822918	ZINC000635538731	ref	6.16	-42.89	1	268.401	1.384	3	2	6	CCC(C)(C)[C@@H](O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1
361822926	ZINC000635538731	mid	6.33	-43.72	1	268.401	1.384	3	2	6	CCC(C)(C)[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1
282120397	ZINC000418471147	ref	4.4	-96.04	2	268.405	0.707	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1
342083177	ZINC000127081109	ref	4.96	-9.67	0	266.297	1.201	1	5	4	CCOC(=O)C(C)(C)N(C)C(=O)c1ncccc1O
168365612	ZINC000003645951	ref	1.67	-42.31	1	139.202	0.86	2	1	2	C[C@@H]([NH3+])[C@@H](C)c1c[nH]cn1
214176548	ZINC000337604254	ref	9.51	-11.05	0	285.387	3.115	0	2	4	CN(C[C@H]1OCCc2ccccc21)C(=O)C[C@H]1C=CCC1
361822934	ZINC000635538731	high	3.85	-5.99	0	268.401	1.384	2	3	6	CCC(C)(C)[C@@H](O)C(=O)N[C@@H]1CCN(CC2CC2)C1
342083178	ZINC000127081109	mid	5.97	-48.29	-1	266.297	1.201	0	5	4	CCOC(=O)C(C)(C)N(C)C(=O)c1ncccc1[O-]
342083179	ZINC000625342273	ref	5.55	-29.95	1	267.417	1.413	1	2	5	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H]1CCCN(C)C1=O
342083180	ZINC000625342273	mid	6.61	-30.46	1	267.417	1.413	1	2	5	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H]1CCCN(C)C1=O
342083181	ZINC000625342273	high	3.21	-7.09	0	267.417	1.413	0	3	5	CCN1CCC[C@H]1CN(CC)[C@H]1CCCN(C)C1=O
342083182	ZINC000625342212	ref	2.84	-12.95	0	298.389	1.939	1	5	5	COc1ccc(C)cc1S(=O)(=O)NCc1ccns1
342083183	ZINC000608891300	ref	8.57	-15.61	0	274.32	1.813	0	4	4	CCN(CC(=O)OC)C(=O)c1cccc2c1ccn2C
214176503	ZINC000278473673	high	5.76	-9.72	0	318.396	2.79	1	5	4	Cc1c([C@H](C)N[C@H]2CCOC[C@H]2C)nnn1-c1ccc(F)cc1
342598617	ZINC000590818415	mid	5.37	-9.58	0	293.411	1.6	0	4	7	COCCCCCN1CCN(C(=O)c2cccn2C)CC1
342598618	ZINC000616985285	ref	6.84	-10.33	0	254.374	1.892	0	2	4	CC[C@H](C)N(CC)C(=O)[C@H]1CCCN(C(C)=O)C1
342598619	ZINC000590818729	ref	4.65	-46.38	1	274.386	1.383	1	3	8	CC[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccoc1
365623224	ZINC000625034183	ref	6.36	-21.43	0	317.389	2.28	1	3	3	O=C1[C@@H](NC(=O)N2CCC[C@H]2c2ccco2)CCN1C1CCC1
282123571	ZINC000533473656	ref	5.03	-43.53	1	291.399	1.891	3	3	5	CCc1ncc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cn1
342598620	ZINC000590818729	mid	4.65	-47.07	1	274.386	1.383	1	3	8	CC[N@@H+](CCCS(=O)(=O)N(C)C)Cc1ccoc1
342598621	ZINC000590818729	mid	2.43	-11.63	0	274.386	1.383	0	4	8	CCN(CCCS(=O)(=O)N(C)C)Cc1ccoc1
342598622	ZINC000616985288	ref	6.66	-9.77	0	254.374	1.892	0	2	4	CC[C@@H](C)N(CC)C(=O)[C@H]1CCCN(C(C)=O)C1
365623230	ZINC000625037609	ref	3.0	-9.49	0	307.362	2.223	1	3	6	CO[C@H](CNS(=O)(=O)c1ccc(C)c(F)c1F)C(C)C
365623235	ZINC000625037609	high	3.3	-46.83	-1	307.362	2.223	0	3	6	CO[C@H](C[N-]S(=O)(=O)c1ccc(C)c(F)c1F)C(C)C
365623243	ZINC000625036742	ref	7.42	-22.59	0	313.401	2.296	1	2	3	O=C1[C@H](NC(=O)N2CC[C@H]2c2ccccc2)CCN1C1CCC1
365623249	ZINC000625031916	ref	7.09	-19.21	0	305.422	2.114	1	2	2	O=C1[C@H](NC(=O)N2CCC[C@@H]3CCC[C@H]32)CCN1C1CCC1
365623256	ZINC000625032341	ref	8.09	-21.5	0	315.417	2.29	1	2	4	Cc1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)cc1
365623265	ZINC000625034281	ref	4.85	-18.78	0	315.364	2.017	2	2	3	O=C(NC1CCC(F)(F)CC1)N[C@@H]1CCN(C2CCC2)C1=O
365623272	ZINC000625037120	ref	8.41	-44.03	1	316.445	2.326	1	3	5	Cc1cccc([C@@H]2C[C@H]2C(=O)NCCN2CCOC(C)(C)C2)c1
365623280	ZINC000625037120	low	8.4	-43.93	1	316.445	2.326	2	2	5	Cc1cccc([C@@H]2C[C@H]2C(=O)NCC[N@@H+]2CCOC(C)(C)C2)c1
365638823	ZINC000353418848	ref	5.52	-10.1	0	295.335	1.078	0	6	5	COC(=O)[C@H]1CN(Cc2cccc(OC)c2OC)CCO1
214176506	ZINC000278473709	ref	5.95	-6.64	0	311.385	3.275	0	4	2	COc1cncc(C(=O)N2C[C@H](C(C)(C)C)c3ccccc32)n1
342598623	ZINC000590817974	ref	5.48	-7.97	0	269.301	1.12	2	5	5	CCc1cc(NC(=O)N[C@@H](C)C(=O)OC(C)C)no1
342598624	ZINC000364844131	ref	4.0	-44.48	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO
342598625	ZINC000364844131	mid	4.31	-43.82	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO
365623226	ZINC000576550505	ref	1.08	-6.2	0	237.303	1.544	1	5	3	C[C@H](O)[C@@H]1CCN(c2nc(C3CCC3)no2)C1
365623234	ZINC000576548459	ref	5.36	-5.33	0	242.407	2.802	2	1	8	CCC(CC)[N@H+](CC)CC(=O)NC(C)(C)CC
365623242	ZINC000576548459	mid	6.59	-31.21	1	242.407	2.802	2	1	8	CCC(CC)[N@@H+](CC)CC(=O)NC(C)(C)CC
365623246	ZINC000576548459	high	5.36	-5.33	0	242.407	2.802	1	2	8	CCC(CC)N(CC)CC(=O)NC(C)(C)CC
365623253	ZINC000576545418	ref	7.03	-4.95	0	238.396	3.616	1	2	4	Cc1cc(C)c(CSCC(C)(C)O)c(C)c1
365623263	ZINC000576551020	ref	5.45	-11.09	0	208.309	1.578	1	3	2	C[C@H]1CCC(C)(C)[N@@H+]1Cc1nncn1C
365623270	ZINC000576551020	mid	7.69	-36.99	1	208.309	1.578	1	3	2	C[C@H]1CCC(C)(C)[N@H+]1Cc1nncn1C
365623276	ZINC000576551020	mid	5.45	-11.09	0	208.309	1.578	0	4	2	C[C@H]1CCC(C)(C)N1Cc1nncn1C
365623283	ZINC000576547982	ref	8.1	-9.77	0	249.329	2.983	1	1	6	Cc1ccc(F)c(CC(=O)NCCCC2CC2)c1
365623290	ZINC000576547899	ref	7.02	-6.78	0	249.276	2.833	0	1	3	CC(C)(CC(=O)N1CC(C(F)(F)F)C1)C1CC1
365623299	ZINC000175921973	ref	0.81	-27.78	0	230.264	1.314	2	2	2	CNC(=O)Nc1ccc([S@@](C)=O)c(F)c1
365623312	ZINC000576547523	ref	4.35	-10.36	0	243.31	1.996	2	2	4	C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2[nH]cnc2c1
365623318	ZINC000576547523	mid	5.5	-50.55	1	243.31	1.996	2	2	4	C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2nc[nH]c2c1
365623324	ZINC000576547523	high	4.35	-10.36	0	243.31	1.996	2	3	4	C=C[C@@H]1OCC[C@H]1NCc1ccc2[nH]cnc2c1
343994440	ZINC000599271251	high	1.92	-10.94	0	296.411	1.559	1	5	6	CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@@H]1CCCCO1
343994444	ZINC000599271319	ref	2.75	-10.67	0	281.443	1.615	1	4	6	CC[C@H](CSC)NS(=O)(=O)[C@H]1COC(C)(C)C1
290623552	ZINC000368095959	ref	9.38	-14.16	0	303.41	2.587	1	4	2	C[C@H]1CC[C@@]2(CCN(C(=O)Nc3cc(N(C)C)ncn3)C2)C1
365623331	ZINC000576541929	ref	4.58	-9.94	0	248.326	2.332	2	2	3	C[C@H]1CC[C@@H]1NC(=O)N(C)Cc1cccc(O)c1
342083184	ZINC000008002954	ref	3.76	-19.12	0	263.341	1.429	3	2	5	CNC(=O)NC(=O)C[NH2+][C@H](c1ccccc1)C(C)C
365623338	ZINC000576551819	ref	6.25	-33.14	1	225.376	2.658	2	1	3	C[C@H]1CCCC[C@H]1C[N@H+](C)[C@@H]1CCC[C@H]1O
343994447	ZINC000599272482	ref	5.66	-42.79	1	255.314	1.587	2	4	7	CCOC(=O)C[C@@H](O)C[N@H+](C)[C@H](C)c1ccco1
365623342	ZINC000576551819	mid	6.16	-32.64	1	225.376	2.658	2	1	3	C[C@H]1CCCC[C@H]1C[N@@H+](C)[C@@H]1CCC[C@H]1O
365623348	ZINC000576546137	ref	-1.62	-9.84	0	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1
365623356	ZINC000576546137	mid	0.4	-45.62	1	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@H+]1CC[C@@H](CO)[C@@H](O)C1
365623360	ZINC000576546137	high	-1.62	-9.84	0	244.335	-0.47	2	4	5	CCN(C)C(=O)CCN1CC[C@@H](CO)[C@@H](O)C1
185090270	ZINC000096076065	mid	4.88	-39.27	1	292.398	2.247	2	2	4	CC(C)(O)C[N@H+]1CC[C@]2(CCN2Cc2ccc(F)cc2)C1
214176505	ZINC000293460684	ref	3.08	-11.43	0	359.176	0.692	2	5	5	COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(Br)c1)OC
214176508	ZINC000293464931	ref	4.92	-19.98	0	365.411	0.036	0	7	3	COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1
219048694	ZINC000286550558	ref	2.02	-13.07	0	313.159	0.513	1	6	4	Cc1c(C(=O)NCCn2cc(Br)cn2)nnn1C
219048697	ZINC000286550207	ref	4.6	-11.03	0	317.433	1.729	1	4	4	Cc1ccccc1NCCC(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1
185090272	ZINC000096077113	ref	1.48	-11.94	0	293.392	0.785	1	4	1	CN1CCNC(=O)C12CCN(C(=O)c1ccsc1)CC2
219048699	ZINC000286550207	low	6.94	-41.27	1	317.433	1.729	2	3	4	Cc1ccccc1NCCC(=O)N1CC[C@H]2OCC[N@@H+](C)[C@@H]2C1
219048701	ZINC000286550207	low	6.55	-41.92	1	317.433	1.729	2	3	4	Cc1ccccc1NCCC(=O)N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1
214176513	ZINC000293465903	ref	2.65	-8.2	0	369.228	0.867	2	5	5	CS[C@H](CO)[C@@H](C)NC(=O)c1cnn(C)c1I
219048703	ZINC000286548789	ref	4.97	-14.62	0	306.366	1.887	1	5	5	CCCC[C@H]1NC(=O)N(c2cc([C@H]3CCCO3)nn2C)C1=O
365623231	ZINC000623053518	ref	4.93	-48.52	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1
214176516	ZINC000293473295	ref	6.95	-22.95	0	362.777	0.329	2	6	3	Cn1cnc(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)n1
214176519	ZINC000293472761	ref	2.48	-15.65	0	374.441	0.907	2	5	5	CC[C@H]1CCN1C(=O)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
214176523	ZINC000293469198	ref	2.1	-19.5	0	369.399	0.366	3	7	7	CNC(=O)Oc1cccc(NC(=O)C(=O)NCCSCC(=O)OC)c1
214176527	ZINC000293474988	ref	1.25	-9.25	0	373.45	0.445	1	6	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c(F)cc1C
219048706	ZINC000286550467	ref	5.14	-6.3	0	322.38	1.467	1	3	3	C[C@@H]1COCCN1C(=O)C(=O)NCC(C)(C)c1ccc(F)cc1
219048708	ZINC000286548827	ref	8.75	-14.86	0	313.401	2.865	1	4	6	CCOC1CC(C(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)C1
214176531	ZINC000293474988	low	3.17	-43.66	1	373.45	0.445	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c(F)cc1C
214176535	ZINC000293474988	low	3.6	-43.01	1	373.45	0.445	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(F)cc1C
219048710	ZINC000286548827	low	9.27	-41.17	1	313.401	2.865	1	3	6	CCOC1CC(C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)C1
365623232	ZINC000274322128	high	3.41	-8.02	0	273.336	1.884	2	4	7	C[C@@H](CCc1ccccc1)NCc1cc(C(N)=O)no1
365623237	ZINC000274323360	ref	4.54	-16.46	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c2[nH]ncc2c1
365623244	ZINC000274323360	mid	4.63	-23.68	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@@H](C)C[S@@](C)=O)c2n[nH]cc2c1
365623251	ZINC000274321022	ref	5.5	-10.35	0	252.343	1.836	1	4	2	CC[C@@H]1CN(C(=O)Nc2cncnc2)CCS1
365623259	ZINC000274320896	ref	4.32	-11.53	0	290.363	1.309	2	3	7	CN(CCC1CC1)C(=O)CNC(=O)Cc1ccc(O)cc1
365623267	ZINC000274320889	ref	4.99	-16.16	0	294.38	1.363	1	5	2	CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)Nc1cncnc1
365623275	ZINC000274321948	ref	5.04	-15.48	0	272.312	1.579	1	5	2	Cn1cc([C@@H]2CCCN2C(=O)Nc2cncnc2)cn1
365623284	ZINC000274322162	ref	4.62	-13.31	0	272.308	1.035	1	5	6	CCC(=O)CNC(=O)c1cn(Cc2ccccc2)nn1
365623292	ZINC000274323352	ref	3.98	-26.76	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c2[nH]ncc2c1
365623302	ZINC000274323352	mid	4.06	-33.59	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@@H](C)C[S@](C)=O)c2n[nH]cc2c1
365623309	ZINC000274323561	ref	2.86	-16.88	0	283.349	1.189	1	4	6	CCC(=O)CNC(=O)c1cccc(S(=O)(=O)CC)c1
365623316	ZINC000274320952	ref	4.91	-8.16	0	296.33	1.611	2	4	3	O=C(Nc1cncnc1)C(=O)NC1(c2ccccc2)CCC1
365623327	ZINC000274322269	ref	2.71	-10.45	0	263.297	1.311	1	4	4	CC[C@]1(C)NC(=O)N(Cc2ccc(OC)cn2)C1=O
365623335	ZINC000274322910	ref	4.76	-7.6	0	280.368	1.739	0	5	4	CC(C)(C)OC(=O)CN1CCN(Cc2ccco2)CC1
365623344	ZINC000274322910	low	7.05	-38.16	1	280.368	1.739	1	4	4	CC(C)(C)OC(=O)CN1CC[NH+](Cc2ccco2)CC1
365623351	ZINC000274321279	ref	6.04	-14.27	0	292.726	1.672	1	4	2	O=C(c1nc[nH]n1)N1CCO[C@@H](c2cccc(Cl)c2)C1
365623361	ZINC000274322665	ref	5.63	-15.05	0	297.314	1.99	1	5	3	O=C(Nc1cncnc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2
365623368	ZINC000274321945	ref	5.04	-15.29	0	272.312	1.579	1	5	2	Cn1cc([C@H]2CCCN2C(=O)Nc2cncnc2)cn1
342083185	ZINC000008002954	high	3.76	-19.12	0	263.341	1.429	3	3	5	CNC(=O)NC(=O)CN[C@H](c1ccccc1)C(C)C
365623375	ZINC000274322064	ref	2.36	-10.53	0	250.302	1.556	2	4	2	CC1(C)C[C@@H](NC(=O)Nc2cncnc2)CCO1
282120398	ZINC000270552297	ref	9.38	-16.71	0	282.351	1.9	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1nc3ccccc3n1C)CC2
365623384	ZINC000274321876	ref	3.0	-19.31	0	293.327	1.219	2	5	3	CCOC(=O)N[C@@H]1CCCN(C(=O)Nc2cncnc2)C1
214176509	ZINC000053299116	mid	6.25	-45.45	1	340.265	1.703	2	2	5	C[N@H+](CCC(=O)N1CCNCC1)Cc1cccc(Br)c1
219048696	ZINC000097694655	low	-1.35	-84.4	2	328.413	-1.639	4	6	8	COCCn1c[nH+]cc1CN1CC[N@@H+](C(CO)CO)C[C@H](O)C1
219048698	ZINC000097694655	low	-1.14	-85.45	2	328.413	-1.639	4	6	8	COCCn1c[nH+]cc1CN1CC[N@H+](C(CO)CO)C[C@H](O)C1
219048700	ZINC000097695534	ref	4.46	-17.91	0	337.807	1.897	2	3	5	CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C)C2)cc1Cl
219048702	ZINC000097696257	ref	8.81	-17.01	0	334.383	1.449	1	6	3	O=C(c1ccnc(-n2cnnc2)c1)N1CCN[C@H](c2ccccc2)C1
219048704	ZINC000097696257	mid	10.08	-63.78	1	334.383	1.449	1	5	3	O=C(c1ccnc(-n2cnnc2)c1)N1CC[NH2+][C@H](c2ccccc2)C1
214176512	ZINC000053299116	mid	6.25	-45.47	1	340.265	1.703	2	2	5	C[N@@H+](CCC(=O)N1CCNCC1)Cc1cccc(Br)c1
214176514	ZINC000053299116	high	3.91	-7.76	0	340.265	1.703	1	3	5	CN(CCC(=O)N1CCNCC1)Cc1cccc(Br)c1
219048705	ZINC000097695934	ref	8.3	-43.89	-1	335.4	2.724	0	5	6	COc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2CC(C)C)cc1OC
219048707	ZINC000097696292	ref	8.59	-12.87	0	349.438	2.573	0	6	5	COc1ccc(/C=C/CN2CCN(c3ccc4nccn4n3)CC2)cc1
219048709	ZINC000097696292	mid	10.97	-55.85	1	349.438	2.573	1	5	5	COc1ccc(/C=C/C[NH+]2CCN(c3ccc4nccn4n3)CC2)cc1
219048711	ZINC000097694777	ref	5.57	-15.04	0	349.394	1.99	2	5	3	O=C(c1ccccc1-c1nn[nH]n1)N1CCC(O)(c2ccccc2)CC1
214176518	ZINC000053314718	ref	10.68	-10.65	0	343.883	4.352	1	2	2	Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccccc3Cl)C2)cc1C
219048712	ZINC000097694777	high	5.56	-56.14	-1	349.394	1.99	1	5	3	O=C(c1ccccc1-c1nnn[n-]1)N1CCC(O)(c2ccccc2)CC1
219048714	ZINC000097694777	high	5.56	-56.18	-1	349.394	1.99	1	5	3	O=C(c1ccccc1-c1nn[n-]n1)N1CCC(O)(c2ccccc2)CC1
342083186	ZINC000625342336	ref	2.14	-11.79	0	275.399	1.209	1	4	4	C[C@H]1CCCN(S(=O)(=O)NCc2ccns2)C1
342083187	ZINC000625335294	ref	6.09	-43.3	1	264.373	1.25	1	4	3	Cn1cc(CC[N@@H+]2CCOCC3(CCCC3)C2)nn1
365623241	ZINC000623050852	ref	7.59	-95.32	2	303.454	1.471	2	3	7	C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(C3CC3)nc2)CC1
342083188	ZINC000625335294	mid	6.39	-40.09	1	264.373	1.25	1	4	3	Cn1cc(CC[N@H+]2CCOCC3(CCCC3)C2)nn1
342083189	ZINC000625335294	high	4.54	-9.3	0	264.373	1.25	0	5	3	Cn1cc(CCN2CCOCC3(CCCC3)C2)nn1
342083190	ZINC000402863278	ref	7.54	-44.69	1	262.332	1.743	1	3	4	Cc1cc(C#N)cc(N2CC[NH+](CCCF)CC2)n1
342083191	ZINC000402863278	mid	5.25	-6.65	0	262.332	1.743	0	4	4	Cc1cc(C#N)cc(N2CCN(CCCF)CC2)n1
214176510	ZINC000278474586	ref	3.56	-14.44	0	319.423	1.523	0	3	2	Cc1cc(F)ccc1S(=O)(=O)N1CC[S@](=O)C[C@H](C)C1
342083192	ZINC000625342129	ref	4.95	-16.61	0	290.338	1.844	2	2	3	C[C@H](C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@@H]1CCC(=O)N1
214176521	ZINC000278473625	ref	6.68	-15.98	0	310.375	2.472	1	5	4	CSc1ccc(C(=O)N[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-]
214176524	ZINC000278475442	ref	6.72	-10.29	0	304.398	1.954	2	7	7	CCOCCC1(CNc2nc(N)c3cnn(C)c3n2)CCC1
214176528	ZINC000278475442	low	7.12	-36.52	1	304.398	1.954	2	6	7	CCOCCC1(CNc2nc3c(cnn3C)c(N)[nH+]2)CCC1
214176534	ZINC000278475321	ref	2.73	-12.51	0	310.394	1.908	3	4	6	COc1cc(C)c(NC(=O)N(C[C@@H](C)O)[C@H](C)CO)cc1C
214176539	ZINC000278475291	ref	5.92	-9.1	0	312.207	2.912	1	2	2	Cc1cccc(C(=O)N[C@@H]2CCOC[C@H]2C)c1Br
214176542	ZINC000278473765	ref	6.88	-52.92	1	317.433	2.515	3	2	5	CC(C)c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)cc(=O)[nH]1
214176546	ZINC000278475800	ref	9.87	-42.64	1	311.389	1.892	2	4	5	O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCC[N@@H+]1C1CC1
342083193	ZINC000625342246	ref	4.41	-9.38	0	278.278	1.989	1	3	3	CC(C)N(C)C(=O)NCc1c(C(F)(F)F)cnn1C
214176553	ZINC000278475800	mid	10.51	-40.59	1	311.389	1.892	2	4	5	O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCC[N@H+]1C1CC1
214176556	ZINC000278475800	mid	7.56	-13.35	0	311.389	1.892	1	5	5	O=C(Nc1cccc(Cn2cncn2)c1)[C@@H]1CCCN1C1CC1
214176560	ZINC000278475201	ref	5.41	-7.45	0	308.334	2.067	1	5	4	COc1cc(C(=O)N[C@H]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1C
214176564	ZINC000278474380	ref	6.45	-6.44	0	320.234	3.376	0	3	3	C[C@H]1CN(Cc2c(Br)cnn2C)[C@H]1c1ccccc1
342083194	ZINC000625342179	ref	1.58	-6.64	0	281.356	1.621	1	6	6	CCO[C@@H]1COCC[C@H]1NCc1noc(C2CCC2)n1
214176565	ZINC000278474380	low	9.03	-37.24	1	320.234	3.376	1	2	3	C[C@H]1C[N@H+](Cc2c(Br)cnn2C)[C@H]1c1ccccc1
214176566	ZINC000278474380	low	8.04	-34.5	1	320.234	3.376	1	2	3	C[C@H]1C[N@@H+](Cc2c(Br)cnn2C)[C@H]1c1ccccc1
342083195	ZINC000625342179	low	2.83	-35.89	1	281.356	1.621	1	5	6	CCO[C@@H]1COCC[C@H]1[NH2+]Cc1noc(C2CCC2)n1
342083196	ZINC000625334944	ref	7.06	-18.03	0	286.379	1.959	2	3	6	Cc1nnc(CCNC(=O)[C@@H](C)Cc2ccccc2C)[nH]1
365623248	ZINC000172829017	ref	1.85	-18.11	0	288.225	1.644	2	3	4	O=C1CC[C@@H](C(=O)Nc2ccc(F)cc2OC(F)F)N1
342598626	ZINC000364844131	mid	5.72	-43.43	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO
398246708	ZINC000650862500	high	6.54	-17.45	0	299.378	1.059	1	5	5	C[C@]1(NC(=O)Cn2cncn2)CCN(Cc2ccccc2)C1
214176522	ZINC000053299166	ref	6.75	-17.38	0	343.452	3.48	2	4	4	NC(=O)c1csc(C(=O)Nc2ccccc2N2CCCCCC2)c1
199273193	ZINC000181261152	high	6.31	-9.65	0	318.461	3.034	1	3	6	CC[C@H](C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C)c1ccc(OC)cc1
342598627	ZINC000364844131	mid	4.86	-40.55	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@H+]1CCC[C@@H]1CN1CCC[C@@H]1CO
342598628	ZINC000590817630	ref	6.12	-18.85	0	293.367	1.279	0	5	5	Cn1cc([C@H]2CCCN2C(=O)COC[C@@H]2CCCO2)cn1
342598629	ZINC000590817362	ref	2.73	-12.02	0	297.355	1.592	3	4	5	COC(=O)c1[nH]c(C)cc1NC(=O)N(C)CC(C)(C)CO
365623257	ZINC000643089729	ref	4.8	-12.84	0	277.324	1.422	1	4	5	NC(=O)CN(C(=O)c1cc(C2CC2)on1)C1CCCC1
365623264	ZINC000172823012	ref	4.23	-12.08	0	269.366	1.942	1	4	7	COc1cccc(O[C@@H](C)CNC(=O)CSC)c1
365623271	ZINC000172824906	ref	3.36	-11.96	0	276.292	1.88	1	5	6	COc1cccc(O[C@@H](C)CNC(=O)c2ccon2)c1
342598630	ZINC000590818353	ref	4.81	-44.37	1	286.416	1.278	2	3	10	COCCCCC[NH+]1CCC(C(=O)NCCOC)CC1
342598631	ZINC000590818348	ref	4.93	-44.13	1	286.416	1.276	2	3	9	COCCNC(=O)C1CC[NH+](CCCOC(C)C)CC1
342598632	ZINC000590817989	ref	6.46	-8.47	0	255.343	1.628	1	4	3	CCc1cc(NC(=O)N2CC[C@H](SC)C2)no1
365623279	ZINC000172825004	ref	4.7	-14.26	0	261.329	1.814	1	5	3	CCn1nc(C)c(NC(=O)c2cc(C)nn2C)c1C
199273195	ZINC000181260953	ref	9.03	-10.08	0	316.449	3.399	1	5	8	CCOc1ccccc1[C@@H](CC(C)C)NCc1nnc(C)n1C
342598633	ZINC000616985923	ref	3.88	-15.64	0	298.408	1.855	1	3	6	CC[C@H](C)N(CC)C(=O)c1cccc(S(=O)(=O)NC)c1
342598634	ZINC000590818575	ref	4.94	-44.97	1	299.44	1.573	1	3	8	CC(C)[N@H+](CCCS(=O)(=O)N(C)C)Cc1ccccn1
342598635	ZINC000590818575	mid	5.86	-46.28	1	299.44	1.573	1	3	8	CC(C)[N@@H+](CCCS(=O)(=O)N(C)C)Cc1ccccn1
365623287	ZINC000189234895	ref	7.74	-18.8	0	283.368	1.744	0	4	3	COC(=O)[C@H]1CC[C@@H](C(=O)N(C)[C@H]2CCCC[C@H]2C)O1
342598636	ZINC000590818575	mid	2.93	-13.9	0	299.44	1.573	0	4	8	CC(C)N(CCCS(=O)(=O)N(C)C)Cc1ccccn1
342598637	ZINC000590817201	ref	6.49	-15.07	0	264.3	1.941	1	2	4	Cc1cc(NC(=O)CN(C)C(=O)C2CC2)ccc1F
361822920	ZINC000616604727	low	6.38	-52.52	1	276.336	1.356	1	3	3	CCOC(=O)c1ccccc1[C@H]1CN(C(C)=O)CC[NH2+]1
178292926	ZINC000237004101	high	1.39	-12.87	0	359.348	1.259	3	4	5	CCN(Cc1cccc(NC(=O)[C@@H]2C[C@@H](O)CN2)c1)C(=O)C(F)(F)F
168365321	ZINC000368505331	ref	3.9	-52.45	-1	347.436	3.427	1	4	4	CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@@H]3O)cc1
178292928	ZINC000237002755	ref	4.26	-50.76	1	359.879	1.416	1	3	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CC[NH2+]CC2)c1
178292931	ZINC000237002755	mid	2.95	-10.85	0	359.879	1.416	1	4	5	CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)N2CCNCC2)c1
178292934	ZINC000237005105	ref	2.55	-65.52	1	353.488	1.621	3	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1
178292936	ZINC000237004414	ref	3.94	-51.77	1	353.488	1.586	2	3	5	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1
178292939	ZINC000237004414	high	2.67	-12.12	0	353.488	1.586	2	4	5	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2C[C@H](C)NC[C@@H]2C)cc1
178292942	ZINC000237007090	ref	4.81	-51.54	1	360.502	1.76	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
185090274	ZINC000096077113	low	3.66	-50.22	1	293.392	0.785	2	3	1	C[N@@H+]1CCNC(=O)C12CCN(C(=O)c1ccsc1)CC2
168365615	ZINC000003645951	low	2.26	-99.74	2	139.202	0.86	2	0	2	C[C@@H]([NH3+])[C@@H](C)c1c[nH+]c[nH]1
133427917	ZINC000306447370	ref	2.88	-10.06	0	182.223	0.393	0	4	2	COC(=O)[C@H]1CCN(CC#N)[C@@H]1C
361822924	ZINC000616604896	ref	3.43	-37.68	1	272.389	1.605	3	3	4	CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+](CCO)C1
361822935	ZINC000616604896	mid	3.3	-37.67	1	272.389	1.605	3	3	4	CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+](CCO)C1
361822939	ZINC000531823114	ref	4.14	-13.76	0	272.37	1.935	0	4	4	CC[C@]1(C)CCN(S(=O)(=O)Cc2cc(C)no2)C1
361822951	ZINC000048083591	ref	2.62	-17.75	0	287.323	1.814	3	4	4	CCNC(=O)c1ccc(NC(=O)Nc2cnn(C)c2)cc1
361822964	ZINC000616604861	ref	1.23	-14.26	0	291.376	1.141	1	4	2	CS(=O)(=O)N1CCNC[C@H]1c1cccc2cccnc12
361822971	ZINC000616604861	mid	2.58	-59.01	1	291.376	1.141	1	3	2	CS(=O)(=O)N1CC[NH2+]C[C@H]1c1cccc2cccnc12
361822975	ZINC000616604817	ref	4.76	-59.1	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+]C[C@@H]1c1cccc2cnccc12
361822986	ZINC000616604817	mid	3.55	-10.11	0	255.321	1.728	1	3	1	CC(=O)N1CCNC[C@@H]1c1cccc2cnccc12
361822994	ZINC000531822689	ref	7.05	-10.87	0	273.34	1.775	0	5	1	C[C@H]1CCC[C@@H](C)N(C(=O)c2ccc3nnnn3c2)C1
342083197	ZINC000625334944	mid	6.68	-14.3	0	286.379	1.959	2	3	6	Cc1n[nH]c(CCNC(=O)[C@@H](C)Cc2ccccc2C)n1
342083198	ZINC000608890457	ref	5.46	-10.51	0	285.347	1.45	2	3	6	C[C@H](CNC(=O)CNC(=O)c1ccc(C#N)cc1)C1CC1
282120399	ZINC000321579636	ref	5.22	-47.71	-1	343.401	1.643	1	6	8	CCC(CC)(CNS(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[O-]
342083199	ZINC000625334955	ref	1.15	-14.18	0	276.383	1.132	1	5	6	O=S(=O)(CC[C@H]1CCCO1)NCc1ccns1
342083200	ZINC000625335130	ref	3.37	-9.61	0	296.392	1.056	1	3	5	CN(C1CC1)S(=O)(=O)NC[C@@H]1Cc2ccccc2CO1
282120401	ZINC000165038475	ref	5.14	-52.95	-1	319.448	2.534	1	5	7	CCC(CC)(CNS(=O)(=O)c1cc(C)sc1C)C(=O)[O-]
185090276	ZINC000096077113	low	3.63	-50.92	1	293.392	0.785	2	3	1	C[N@H+]1CCNC(=O)C12CCN(C(=O)c1ccsc1)CC2
342083201	ZINC000625335165	ref	4.77	-11.16	0	295.404	1.847	1	3	6	O=S(=O)(CCC1CC1)NC[C@@H]1Cc2ccccc2CO1
342083202	ZINC000625334932	ref	7.17	-18.07	0	286.379	1.959	2	3	6	Cc1nnc(CCNC(=O)[C@H](C)Cc2ccccc2C)[nH]1
282120404	ZINC000165042686	ref	4.31	-49.64	-1	303.355	1.995	1	4	7	CCC(CC)(CNS(=O)(=O)c1ccccc1F)C(=O)[O-]
342083203	ZINC000625334932	mid	6.79	-14.27	0	286.379	1.959	2	3	6	Cc1n[nH]c(CCNC(=O)[C@H](C)Cc2ccccc2C)n1
282120406	ZINC000165042686	high	4.21	-128.63	-2	303.355	1.995	0	4	7	CCC(CC)(C[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-]
342083204	ZINC000625335182	ref	4.03	-31.36	1	270.417	1.188	2	3	7	CCO[C@H](C[N@@H+]1CCN(C[C@H](C)O)C[C@H]1C)C1CC1
342083205	ZINC000625335182	mid	4.03	-30.09	1	270.417	1.188	2	3	7	CCO[C@H](C[N@H+]1CCN(C[C@H](C)O)C[C@H]1C)C1CC1
282120409	ZINC000316832012	ref	4.95	-56.35	-1	349.43	1.704	1	7	8	CCC(CC)(CNS(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-]
282120413	ZINC000316832012	high	4.7	-131.86	-2	349.43	1.704	0	7	8	CCC(CC)(C[N-]S(=O)(=O)c1ccsc1C(=O)OC)C(=O)[O-]
342083206	ZINC000625335182	mid	4.63	-33.45	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@H+](C[C@H](C)O)C[C@H]1C)C1CC1
342083207	ZINC000625335182	mid	3.76	-31.57	1	270.417	1.188	2	3	7	CCO[C@H](CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C1CC1
342083208	ZINC000625335182	high	1.42	-3.23	0	270.417	1.188	1	4	7	CCO[C@H](CN1CCN(C[C@H](C)O)C[C@H]1C)C1CC1
342083209	ZINC000625335357	ref	4.87	-38.48	1	251.378	1.121	1	4	6	CCN(Cc1cn(C)nn1)C[C@@H]1CCC[N@@H+]1CC
342083210	ZINC000625335357	mid	4.68	-40.83	1	251.378	1.121	1	4	6	CCN(Cc1cn(C)nn1)C[C@@H]1CCC[N@H+]1CC
282123572	ZINC000533473656	mid	4.99	-44.28	1	291.399	1.891	3	3	5	CCc1ncc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cn1
178292945	ZINC000237007090	high	4.54	-14.31	0	360.502	1.76	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
365623252	ZINC000623050852	mid	6.93	-98.15	2	303.454	1.471	2	3	7	C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(C3CC3)nc2)CC1
323004221	ZINC000561566605	ref	-1.62	-10.08	0	229.28	-0.412	3	3	7	NC(=O)NCC(=O)NCCOCC1CCC1
282120400	ZINC000362078684	ref	8.8	-40.84	1	293.455	2.548	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H]3CCC[C@@H]3C2)C1
282120402	ZINC000130500699	ref	8.9	-42.17	1	319.424	2.796	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C1
282120407	ZINC000251541300	ref	10.01	-84.02	2	330.476	2.025	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1
365623258	ZINC000623050852	high	5.75	-37.69	1	303.454	1.471	2	4	7	CN1CCC[N@H+](CCCNCc2cnc(C3CC3)nc2)CC1
365623266	ZINC000623050852	high	5.93	-38.56	1	303.454	1.471	2	4	7	CN1CCC[N@@H+](CCCNCc2cnc(C3CC3)nc2)CC1
342598638	ZINC000364844351	ref	6.05	-8.73	0	298.386	1.916	1	3	4	CN(CC1(CO)CC1)C(=O)[C@@]1(C#N)CCc2ccccc2C1
342598639	ZINC000616985903	ref	7.85	-20.25	0	273.34	1.923	0	5	5	CC[C@H](C)N(CC)C(=O)c1cccc(-n2cnnn2)c1
365623274	ZINC000623051443	ref	1.39	-11.4	0	315.464	1.565	2	5	5	CN(C)c1ccc(S(N)(=O)=O)cc1NC[C@@H]1CCSC1
197597640	ZINC000162867468	ref	6.79	-15.19	0	319.43	1.565	0	4	3	CN1C(=O)C[C@H](C(=O)N(C)[C@@H]2CCSC2)[C@H]1c1cccnc1
365623285	ZINC000623053504	ref	7.83	-43.93	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1
365623291	ZINC000623053719	ref	1.38	-56.05	1	311.407	1.211	3	3	4	CS(=O)(=O)c1ccc(NC(=O)NCC2CC[NH2+]CC2)cc1
214176525	ZINC000053315336	ref	6.72	-17.54	0	344.436	2.845	1	4	7	C[C@H](c1cccs1)N(C)C(=O)/C=C/c1ccc(OCC(N)=O)cc1
365623297	ZINC000623053390	ref	4.34	-52.52	1	324.182	1.055	1	4	1	[NH3+][C@H]1CCCN(C(=O)c2nc3ccc(Br)cn3n2)C1
365623306	ZINC000623053554	ref	1.34	-61.73	1	301.35	1.628	4	3	5	Cc1nc(-c2ccc(NC(=O)NCCC[NH3+])cc2)cc(=O)[nH]1
342598640	ZINC000590818826	ref	3.04	-15.38	0	276.377	1.477	2	2	4	C[S@@](=O)C1(CNC(=O)NC2CC(C)(F)C2)CCC1
365623314	ZINC000623053554	high	0.24	-89.32	0	301.35	1.628	3	3	5	Cc1nc(-c2ccc(NC(=O)NCCC[NH3+])cc2)cc(=O)[n-]1
398246709	ZINC000650864640	ref	4.7	-8.29	0	252.362	1.947	2	4	4	CCC[C@@H](NC(=O)c1cnn(C)c1N)C(C)(C)C
342598641	ZINC000590818707	ref	4.75	-51.99	1	290.351	1.542	1	2	8	CC[N@H+](CCCS(=O)(=O)N(C)C)CCC(F)(F)F
178292947	ZINC000237009738	ref	8.43	-47.55	1	362.433	1.986	2	3	4	CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2C[NH2+]1
178292949	ZINC000237009738	mid	7.19	-15.46	0	362.433	1.986	2	4	4	CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H]1Cc2ccccc2CN1
178292952	ZINC000237004892	ref	3.11	-53.1	1	353.488	1.493	3	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1
365623260	ZINC000617376839	ref	1.56	-12.26	0	280.324	0.959	2	4	5	COC[C@H](NC(=O)c1ccc(=O)[nH]c1)C1CCOCC1
178292955	ZINC000237005294	ref	2.43	-55.6	1	353.488	1.621	3	3	8	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1
178292959	ZINC000237015247	ref	4.64	-52.41	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)c1
178292961	ZINC000237004118	ref	3.53	-56.3	1	367.515	1.963	2	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1
178292964	ZINC000237010239	ref	5.78	-58.93	1	358.891	1.962	1	3	6	CC[NH2+]CC1CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)CC1
178292966	ZINC000237003981	ref	4.69	-39.3	1	353.488	1.587	2	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1
178292970	ZINC000237004724	ref	3.77	-52.42	1	368.503	1.603	2	4	7	CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H](C)[NH3+])c1
178292972	ZINC000237004724	high	3.44	-15.29	0	368.503	1.603	2	5	7	CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)[C@@H](C)N)c1
178292974	ZINC000237013943	ref	6.15	-53.5	1	353.488	1.606	1	3	8	CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC[NH2+]C
178292979	ZINC000237007021	ref	3.52	-52.36	1	350.438	1.282	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
178292981	ZINC000237007021	high	3.22	-14.65	0	350.438	1.282	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
178292986	ZINC000237016618	ref	4.64	-63.82	1	367.515	1.964	2	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1
178292989	ZINC000237016736	ref	3.51	-52.01	1	353.488	1.574	2	3	8	CCN(CC)S(=O)(=O)c1cccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)c1
178292992	ZINC000237012939	ref	6.85	-97.4	2	356.474	1.105	3	4	7	C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1
178292995	ZINC000237012939	high	4.85	-53.16	1	356.474	1.105	2	5	7	CN(C)C[C@@H](Cc1ccccc1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1
178292998	ZINC000237006814	ref	3.84	-49.71	1	352.523	1.199	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1
361822921	ZINC000612424554	ref	2.78	-7.78	0	323.355	2.259	2	3	4	O=C(NC[C@@H](O)C1CCOCC1)[C@@H]1CCCC[C@H]1C(F)(F)F
342598642	ZINC000590818707	mid	4.77	-51.89	1	290.351	1.542	1	2	8	CC[N@@H+](CCCS(=O)(=O)N(C)C)CCC(F)(F)F
342598643	ZINC000590818707	mid	2.64	-10.99	0	290.351	1.542	0	3	8	CCN(CCCS(=O)(=O)N(C)C)CCC(F)(F)F
342598644	ZINC000590818449	ref	5.52	-9.26	0	293.411	1.598	0	4	6	CC(C)OCCCN1CCN(C(=O)c2cccn2C)CC1
342598645	ZINC000590818449	mid	7.89	-44.73	1	293.411	1.598	1	3	6	CC(C)OCCC[NH+]1CCN(C(=O)c2cccn2C)CC1
342598646	ZINC000590818256	ref	4.37	-11.64	0	277.299	1.674	2	3	5	CCO[C@@H]1C[C@@H]1NC(=O)NCc1ccc(C#N)c(F)c1
342598647	ZINC000590818574	ref	5.0	-46.6	1	250.408	1.246	1	2	8	CC(C)CC[N@H+](C)CCCS(=O)(=O)N(C)C
342598648	ZINC000590818574	mid	5.0	-46.52	1	250.408	1.246	1	2	8	CC(C)CC[N@@H+](C)CCCS(=O)(=O)N(C)C
342598649	ZINC000590828486	ref	6.78	-22.87	0	298.346	1.973	1	3	2	CCN1C(=O)CCc2cc(NC(=O)N3CC(C#N)C3)ccc21
342598650	ZINC000590817984	ref	6.94	-8.41	0	295.339	1.512	2	5	5	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(CC)on1
342598651	ZINC000590818576	ref	2.68	-14.14	0	298.408	1.163	0	4	5	CN(C)S(=O)(=O)CCCN1CCOc2ccccc2C1
342598652	ZINC000590818576	mid	5.01	-50.4	1	298.408	1.163	1	3	5	CN(C)S(=O)(=O)CCC[N@@H+]1CCOc2ccccc2C1
361822931	ZINC000612424847	ref	3.47	-7.38	0	303.761	2.381	2	3	7	CC(C)[C@H](O)CNC(=O)CCOc1ccc(Cl)c(F)c1
361822943	ZINC000612424149	ref	4.24	-15.65	0	315.295	2.244	2	4	5	CCC[C@H](O)CNC(=O)c1ccn2cc(C(F)(F)F)nc2c1
361822958	ZINC000612424331	ref	3.85	-8.64	0	308.422	2.347	2	4	6	CCC[C@H](O)CNC(=O)c1cc(C)n(C2CCOCC2)c1C
361822970	ZINC000612423671	ref	1.76	-10.96	0	321.295	2.485	2	4	7	CCC[C@@H](O)CNC(=O)c1c(OC)cccc1OC(F)(F)F
361822979	ZINC000612424068	ref	4.07	-9.39	0	309.406	2.296	2	4	9	CCC(CC)[C@@H](O)CNC(=O)[C@H](OC)c1cccc(OC)c1
361822990	ZINC000612423672	ref	1.7	-11.07	0	321.295	2.485	2	4	7	CCC[C@H](O)CNC(=O)c1c(OC)cccc1OC(F)(F)F
361822998	ZINC000612424066	ref	4.04	-9.04	0	309.406	2.296	2	4	9	CCC(CC)[C@@H](O)CNC(=O)[C@@H](OC)c1cccc(OC)c1
361823007	ZINC000612424332	ref	3.91	-8.56	0	308.422	2.347	2	4	6	CCC[C@@H](O)CNC(=O)c1cc(C)n(C2CCOCC2)c1C
361823019	ZINC000612425366	ref	4.57	-8.41	0	317.429	2.258	2	3	5	CC1(C)C[C@]1(C(=O)NC[C@@H](O)C1CCOCC1)c1ccccc1
361823034	ZINC000612424737	ref	4.14	-14.62	0	302.378	2.054	3	5	7	CCC[C@H](O)CNC(=O)c1ccc(Nc2ccn(C)n2)cc1
342598653	ZINC000590818576	mid	5.01	-50.36	1	298.408	1.163	1	3	5	CN(C)S(=O)(=O)CCC[N@H+]1CCOc2ccccc2C1
398246711	ZINC000076769118	high	2.75	-8.71	0	238.356	1.627	2	3	6	CSC[C@@H](C)NCc1ccc(C(N)=O)cc1
398246713	ZINC000335870511	ref	7.22	-10.59	0	243.31	2.965	1	2	3	CCN(C(=O)Nc1ccc(C#N)cc1)C1CCC1
365623268	ZINC000336542862	ref	8.08	-15.54	0	288.322	2.105	0	3	3	Cc1cc(CN(C)C(=O)c2ccc(=O)n(C)c2)ccc1F
342598654	ZINC000590818344	ref	4.61	-10.88	0	283.416	1.635	0	3	5	CC(C)OCCCN1CCN(C(=O)N2CCCC2)CC1
342598655	ZINC000590818344	mid	6.99	-45.74	1	283.416	1.635	1	2	5	CC(C)OCCC[NH+]1CCN(C(=O)N2CCCC2)CC1
342598656	ZINC000590817899	ref	5.23	-35.66	1	270.417	1.6	1	3	8	COCCCCC[NH+]1CCN(C[C@@H]2CCCO2)CC1
342598657	ZINC000590817899	mid	5.18	-32.24	1	270.417	1.6	1	3	8	COCCCCCN1CC[NH+](C[C@@H]2CCCO2)CC1
210256097	ZINC000019526859	ref	6.54	-22.23	0	385.468	0.565	0	5	3	CCN1C[C@@H](C(=O)N2CC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)CC1=O
214176530	ZINC000053321836	ref	10.69	-12.84	0	342.399	2.263	1	6	4	COC(=O)C1(NC(=O)c2ccc(-n3ccnc3)nc2)CCCCCC1
365623278	ZINC000336543048	ref	7.39	-7.25	0	250.342	2.382	0	2	2	CC1(C)CC[C@@H](N2C(=O)CN(C3CCC3)C2=O)C1
365623289	ZINC000336542670	ref	1.6	-15.95	0	287.319	2.483	3	4	3	Cc1cc(NC(=O)c2cc(C(N)=O)cn2C)c(C)cc1O
365623295	ZINC000336542952	ref	6.05	-11.94	0	287.367	2.132	2	4	3	Cc1cc[nH]c1C(=O)N[C@@H](C)c1nnc2n1CCCCC2
210256104	ZINC000019526053	ref	4.32	-12.83	0	377.514	1.811	0	6	6	CCCn1cc(S(=O)(=O)N2CCN(Cc3ncccc3C)CC2)c(C)n1
342598658	ZINC000590817899	high	2.86	-4.61	0	270.417	1.6	0	4	8	COCCCCCN1CCN(C[C@@H]2CCCO2)CC1
342598659	ZINC000590818828	ref	5.91	-14.34	0	299.374	1.969	2	3	4	N#Cc1cccc(CCNC(=O)N[C@@H]2CC23CCOCC3)c1
342598660	ZINC000590818347	ref	6.84	-46.98	1	283.416	1.637	1	2	6	COCCCCC[NH+]1CCN(C(=O)N2CCCC2)CC1
365623301	ZINC000336543133	ref	6.57	-12.64	0	260.337	2.035	0	3	2	Cn1cccc1[C@@H]1CCCN1C(=O)C1=CCOCC1
342598661	ZINC000590818347	mid	4.46	-11.12	0	283.416	1.637	0	3	6	COCCCCCN1CCN(C(=O)N2CCCC2)CC1
342598662	ZINC000616985287	ref	6.74	-10.2	0	254.374	1.892	0	2	4	CC[C@H](C)N(CC)C(=O)[C@@H]1CCCN(C(C)=O)C1
197597663	ZINC000162873755	ref	2.67	-16.37	0	313.155	2.31	2	5	3	Cc1noc(C)c1[C@H](C)Nc1cn[nH]c(=O)c1Br
398246715	ZINC000335870104	ref	5.8	-9.28	0	243.335	3.244	1	4	3	Cc1cccc(C)c1NCc1nc(C#N)cs1
214176533	ZINC000053321836	low	11.24	-40.72	1	342.399	2.263	1	5	4	COC(=O)C1(NC(=O)c2ccc(-n3cc[nH+]c3)nc2)CCCCCC1
214176537	ZINC000053302444	ref	8.94	-40.65	1	332.492	2.634	2	3	5	C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnc(N(C)C)c2)C1
214176540	ZINC000053310781	ref	5.3	-13.45	0	332.448	2.617	3	3	6	CC[C@H](C)[C@@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2)c(C)c1
210256113	ZINC000019524312	ref	10.04	-15.92	0	392.507	2.688	1	6	4	CCn1c(CN2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)nc2ccccc21
178292973	ZINC000034591382	ref	6.63	-12.95	0	210.232	3.063	1	2	0	Cc1cc2c3c(c(O)ccc3c1)C(=O)C=C2
178292976	ZINC000034591382	high	7.04	-66.49	-1	210.232	3.063	0	2	0	Cc1cc2c3c(c([O-])ccc3c1)C(=O)C=C2
178292978	ZINC000049814696	ref	7.25	-4.71	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@H](C)C[C@@H](C)C2
210256121	ZINC000019524312	low	12.98	-47.92	1	392.507	2.688	2	5	4	CCn1c(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)nc2ccccc21
210256125	ZINC000019524312	low	12.95	-46.7	1	392.507	2.688	2	5	4	CCn1c(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)nc2ccccc21
210256130	ZINC000019524312	high	9.23	-54.02	-1	392.507	2.688	0	6	4	CCn1c(CN2CCc3c(nc(N4CCCCC4)[n-]c3=O)C2)nc2ccccc21
214176544	ZINC000053314247	ref	2.44	-36.26	0	342.325	0.852	2	4	3	Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(C[N-]C(=O)C(F)(F)F)C3)c12
210256135	ZINC000019523537	ref	9.78	-13.55	0	391.519	3.618	1	5	5	CCc1nccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1
214176547	ZINC000053314247	mid	3.97	-58.53	1	342.325	0.852	3	4	3	Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC(=O)C(F)(F)F)C3)c12
210256139	ZINC000019523537	mid	10.11	-39.01	1	391.519	3.618	1	4	5	CCc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3cc2N)C1
178292982	ZINC000044685441	ref	6.71	-9.84	0	247.338	3.128	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C1CC1
178292984	ZINC000082533938	ref	1.34	-58.94	-1	214.242	1.347	0	4	1	Cc1cc2c(cc1[S@@](=O)[O-])OCCO2
398246712	ZINC000650864126	ref	3.39	-9.72	0	285.294	1.968	3	2	6	CC[C@H](NC(=O)CNC(=O)Nc1ccccc1)C(F)F
210256145	ZINC000019522347	ref	8.1	-10.24	0	375.398	4.043	0	5	4	CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN3Cc3cccnc3)cc2n1
398246714	ZINC000650860157	ref	1.45	-12.92	0	253.346	1.13	3	2	4	CC1(CNC(=O)N[C@@H]2C[C@H](C(N)=O)C2)CCCC1
178292993	ZINC000019484672	ref	5.29	-43.95	1	207.317	3.196	1	1	0	Cc1cc2c(o1)C[C@@H](C(C)(C)C)C[C@@H]2[NH3+]
365623269	ZINC000617381154	ref	6.98	-44.84	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](CC)C[C@@H]2C)n1
365623277	ZINC000617381154	mid	6.95	-43.78	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](CC)C[C@@H]2C)n1
365623281	ZINC000617381154	high	4.37	-14.82	0	295.343	0.881	1	6	5	CCN1C[C@H](C)[C@@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1
365623288	ZINC000617376448	ref	0.83	-9.42	0	272.345	0.069	2	4	6	COC[C@H](NC(=O)[C@@H](C)NC(C)=O)C1CCOCC1
365623296	ZINC000617373689	ref	1.59	-9.46	0	286.372	0.459	2	4	7	CCC(=O)N[C@H](C)C(=O)N[C@H](COC)C1CCOCC1
365623303	ZINC000617381185	ref	6.24	-10.94	0	295.339	0.446	0	6	8	CCOC[C@@H](C(=O)OC)N(C)C(=O)CCc1ccncn1
365623311	ZINC000617387468	ref	1.88	-14.14	0	252.314	0.293	1	3	3	C[C@]1(C2CC2)CN(C(=O)C[C@H]2CC(=O)N2)CCO1
365623320	ZINC000617373679	ref	3.02	-10.06	0	259.346	0.969	1	4	7	CC[C@@H](OC)C(=O)N[C@H](COC)C1CCOCC1
365623328	ZINC000617376020	ref	4.88	-14.28	0	268.357	0.882	0	3	3	CCOC1CCN(C(=O)[C@@H]2CCN(C)C(=O)C2)CC1
342598663	ZINC000590817079	ref	2.74	-11.56	0	295.339	1.344	3	4	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1C[C@@H](C)C[C@H](O)C1
342598664	ZINC000590817968	ref	6.7	-7.22	0	297.355	1.757	2	5	6	CCc1cc(NC(=O)N[C@H](C(=O)OC(C)C)C(C)C)no1
342598665	ZINC000616985286	ref	6.87	-10.27	0	254.374	1.892	0	2	4	CC[C@@H](C)N(CC)C(=O)[C@@H]1CCCN(C(C)=O)C1
185090277	ZINC000096079244	ref	9.72	-11.08	0	295.386	3.091	1	2	1	C[C@H]1CC2(CCN(C(=O)c3c[nH]cn3)CC2)c2ccccc21
185090279	ZINC000096079244	mid	9.38	-12.79	0	295.386	3.091	1	2	1	C[C@H]1CC2(CCN(C(=O)c3cnc[nH]3)CC2)c2ccccc21
349535905	ZINC000093300985	ref	2.48	-9.97	0	287.319	0.726	2	4	1	C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@H]1O
342598666	ZINC000364844349	ref	6.07	-10.29	0	298.386	1.916	1	3	4	CN(CC1(CO)CC1)C(=O)[C@]1(C#N)CCc2ccccc2C1
365623334	ZINC000617376832	ref	3.86	-18.85	0	294.351	0.406	1	5	6	COC[C@@H](NC(=O)Cn1ccccc1=O)C1CCOCC1
365623340	ZINC000617378119	ref	1.03	-8.95	0	265.313	0.648	1	5	5	COC[C@H](NC(=O)c1cnccn1)C1CCOCC1
365623347	ZINC000617376548	ref	2.36	-10.26	0	267.329	0.591	1	5	5	COC[C@H](NC(=O)c1cnn(C)c1)C1CCOCC1
185090282	ZINC000096078083	ref	4.48	-10.96	0	250.298	1.544	0	4	1	Cc1noc(C)c1C(=O)N1CC[C@@]2(CCOC2)C1
342598667	ZINC000590817895	ref	5.38	-34.78	1	270.417	1.598	1	3	7	CC(C)OCCC[NH+]1CCN(C[C@@H]2CCCO2)CC1
342598668	ZINC000590817895	mid	5.33	-31.83	1	270.417	1.598	1	3	7	CC(C)OCCCN1CC[NH+](C[C@@H]2CCCO2)CC1
365623282	ZINC000121985398	ref	10.11	-18.9	0	297.318	2.157	1	6	2	Cc1ccn2c(NC(=O)c3noc4c3CCCC4)nnc2c1
365623298	ZINC000121974605	ref	8.66	-9.9	0	290.322	2.201	1	3	1	O=c1[nH]c2ccccc2c(=O)n1[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
365623307	ZINC000121860117	ref	4.18	-9.37	0	286.331	2.176	1	4	7	C=CCNC(=O)c1cc(OCCOC)c2ccccc2n1
342083211	ZINC000625342177	ref	1.99	-7.96	0	281.356	1.621	1	6	6	CCO[C@@H]1COCC[C@@H]1NCc1noc(C2CCC2)n1
342083212	ZINC000625342177	low	3.19	-38.76	1	281.356	1.621	1	5	6	CCO[C@@H]1COCC[C@@H]1[NH2+]Cc1noc(C2CCC2)n1
365623322	ZINC000121983908	ref	6.56	-13.34	0	292.354	2.042	0	3	2	C[C@H]1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)O1
365623336	ZINC000121843392	ref	8.03	-12.84	0	286.379	2.329	0	5	5	CC(C)COc1ccc(CN2CCn3cnnc3C2)cc1
365623346	ZINC000121887632	ref	3.2	-5.58	0	263.234	2.107	1	2	2	O[C@H](CN1CCc2cc(F)ccc2C1)C(F)(F)F
342083213	ZINC000625342128	ref	4.91	-17.93	0	290.338	1.844	2	2	3	C[C@H](C(=O)N[C@H]1CCc2ccc(F)cc21)[C@@H]1CCC(=O)N1
168365617	ZINC000003645951	low	2.25	-99.79	2	139.202	0.86	2	0	2	C[C@@H]([NH3+])[C@@H](C)c1c[nH]c[nH+]1
342083214	ZINC000625335432	ref	3.77	-12.54	0	266.263	1.312	1	2	3	CC[C@H]1C(=O)NCCN1C(=O)C[C@@H](C)C(F)(F)F
342083215	ZINC000625334951	ref	2.35	-17.58	0	298.389	1.771	1	5	6	COc1cccc(CS(=O)(=O)NCc2ccns2)c1
342083216	ZINC000238033488	ref	3.65	-104.63	2	261.369	1.416	2	1	5	[NH3+]C[C@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1
365623357	ZINC000121887632	low	5.46	-47.59	1	263.234	2.107	2	1	2	O[C@H](C[N@@H+]1CCc2cc(F)ccc2C1)C(F)(F)F
365623364	ZINC000121887632	low	5.56	-47.51	1	263.234	2.107	2	1	2	O[C@H](C[N@H+]1CCc2cc(F)ccc2C1)C(F)(F)F
365623371	ZINC000121860460	ref	3.21	-6.6	0	276.155	2.435	1	3	4	C=CCNC(=O)c1cc(OC)c(Br)s1
365623383	ZINC000121982240	ref	4.82	-10.51	0	277.43	2.108	0	3	6	CCO[C@H]1C[C@H](N(C)S(=O)(=O)CC(C)C)C1(C)C
178292990	ZINC000082787072	ref	6.29	-51.54	-1	282.093	2.461	0	4	3	O=C([O-])COc1ccc(Br)c2cccnc12
199273196	ZINC000294964821	mid	3.84	-10.24	0	282.359	2.124	2	3	6	CCN(C)C(=O)[C@@H](NCc1cc(O)cc(F)c1)C(C)C
342083217	ZINC000625342295	ref	1.99	-9.23	0	272.37	1.565	1	4	8	CCC[C@@H](CNS(=O)(=O)c1ccncc1)OCC
133427918	ZINC000306432658	ref	6.75	-47.32	1	192.306	2.601	1	1	2	N#C[C@@H]1CC[C@@H]([NH2+]C2CCCCC2)C1
342083218	ZINC000625342133	ref	1.94	-14.65	0	297.302	1.411	1	4	4	Cn1ncc(C(F)(F)F)c1CNS(=O)(=O)C1(C)CC1
365623395	ZINC000121889932	ref	8.95	-12.3	0	298.39	2.307	1	5	3	Cn1cnnc1CN[C@H]1CCCOc2cc3c(cc21)CCC3
349535907	ZINC000258933860	ref	9.93	-44.27	0	235.327	2.546	1	2	7	CCCc1ccc(C[N@H+](C)CCC(=O)[O-])cc1
365623286	ZINC000625037120	low	8.41	-44.03	1	316.445	2.326	2	2	5	Cc1cccc([C@@H]2C[C@H]2C(=O)NCC[N@H+]2CCOC(C)(C)C2)c1
349535911	ZINC000258933860	mid	9.94	-44.27	0	235.327	2.546	1	2	7	CCCc1ccc(C[N@@H+](C)CCC(=O)[O-])cc1
349535915	ZINC000258935452	ref	3.24	-51.15	1	242.269	1.218	2	1	5	C[C@@H](C[NH3+])C(=O)NCCc1ccc(F)cc1F
349535919	ZINC000602431487	ref	6.94	-45.11	1	210.321	2.037	1	2	5	COC1CC[NH+](C[C@H](C)CCC#N)CC1
349535922	ZINC000258925531	ref	5.43	-6.31	0	216.269	2.022	1	5	3	N#Cc1cc(NCc2cccs2)ncn1
365623294	ZINC000625035884	ref	3.42	-16.39	0	322.434	2.047	2	4	5	CC[C@@H](NC(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1nccs1
365623304	ZINC000625031900	ref	7.45	-18.61	0	319.449	2.361	1	2	2	C[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC12CCC2
349535925	ZINC000258967555	ref	7.08	-8.57	0	216.202	3.555	0	1	2	CC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1
365623308	ZINC000625034448	ref	4.82	-11.53	0	320.418	2.076	0	5	4	CC[C@@H]1C[C@H](C)CN1S(=O)(=O)c1cnnn1-c1ccccc1
349535929	ZINC000258974149	ref	6.75	-59.43	1	232.327	2.476	1	2	6	COc1cccc(C(C)(C)C[NH2+]CCC#N)c1
365623315	ZINC000625036748	ref	7.42	-20.82	0	313.401	2.296	1	2	3	O=C1[C@@H](NC(=O)N2CC[C@H]2c2ccccc2)CCN1C1CCC1
190492204	ZINC000269410099	ref	6.96	-16.21	0	291.351	1.069	1	4	3	COC(=O)C[C@@H]1CCCN1C(=O)[C@@H]1CCc2c[nH]nc2C1
365623321	ZINC000625034185	ref	6.36	-23.55	0	317.389	2.28	1	3	3	O=C1[C@H](NC(=O)N2CCC[C@H]2c2ccco2)CCN1C1CCC1
349535936	ZINC000258974149	mid	5.6	-8.79	0	232.327	2.476	1	3	6	COc1cccc(C(C)(C)CNCCC#N)c1
342083219	ZINC000625342126	ref	5.22	-18.73	0	290.338	1.844	2	2	3	C[C@H](C(=O)N[C@@H]1CCc2ccc(F)cc21)[C@H]1CCC(=O)N1
365623329	ZINC000625034187	ref	6.39	-22.59	0	317.389	2.28	1	3	3	O=C1[C@@H](NC(=O)N2CCC[C@@H]2c2ccco2)CCN1C1CCC1
365623337	ZINC000625036707	ref	9.53	-20.77	0	321.384	2.035	1	5	3	C[C@@]1(NC(=O)Cc2nc3ncccn3n2)CCCc2ccccc21
365623345	ZINC000625036823	ref	5.84	-17.3	0	307.438	2.265	2	2	4	CC1CCC(CNC(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1
349535939	ZINC000258971260	ref	5.24	-39.44	1	220.272	1.683	1	3	2	COC(=O)c1ccc([C@@H]2CCCC[NH2+]2)nc1
342083220	ZINC000625342202	ref	1.9	-13.72	0	289.401	1.212	1	5	8	CCC[C@H](CNS(=O)(=O)c1cnn(C)c1C)OCC
349535943	ZINC000258971260	high	4.12	-5.44	0	220.272	1.683	1	4	2	COC(=O)c1ccc([C@@H]2CCCCN2)nc1
214176538	ZINC000293474988	high	0.82	-43.81	-1	373.45	0.445	0	6	5	COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CN(C)CCN2C)c(F)cc1C
214176541	ZINC000293463611	ref	2.1	-8.5	0	351.144	0.518	1	5	3	Cn1ncc(I)c1C(=O)NCC1(C)OCCO1
210256149	ZINC000019522347	low	10.43	-37.31	1	375.398	4.043	1	4	4	CCc1cc(C(F)(F)F)n2nc([C@@H]3CCC[N@@H+]3Cc3cccnc3)cc2n1
210256071	ZINC000000643278	ref	2.38	-14.5	0	351.38	1.911	1	6	6	COc1ccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)cc1OC
210256078	ZINC000000645330	ref	3.24	-16.94	0	359.856	2.853	1	4	4	Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cccc(Cl)c1
210256084	ZINC000000645330	mid	3.26	-48.43	-1	359.856	2.853	0	4	4	Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)[N-]c1cccc(Cl)c1
214176545	ZINC000293469142	ref	4.47	-10.82	0	366.299	0.721	1	5	1	Cn1nc2c(cc1=O)CN(C(=O)C(=O)Nc1cc(F)cc(F)c1F)CC2
210256090	ZINC000000645111	ref	4.94	-17.87	0	365.414	4.604	1	6	6	O=C(CCSc1nnc(-c2ccco2)o1)Nc1cccc2ccccc12
210256100	ZINC000000641792	ref	6.86	-11.29	0	356.205	4.759	1	4	5	COc1ccc(COC(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC
259308744	ZINC000517750893	mid	9.64	-28.89	0	245.322	2.682	1	2	5	O=C([O-])C[N@@H+](Cc1ccccc1)[C@@H]1C=CCCC1
342598669	ZINC000590817895	high	3.0	-4.31	0	270.417	1.598	0	4	7	CC(C)OCCCN1CCN(C[C@@H]2CCCO2)CC1
342598670	ZINC000590817320	ref	3.69	-10.24	0	281.312	1.362	2	4	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1CCO[C@H](C)C1
342598671	ZINC000590818245	ref	2.35	-14.4	0	265.338	1.932	1	5	4	CSCCNC(=O)c1cc(C)nc2onc(C)c12
210256247	ZINC000428343762	ref	0.1	-10.3	0	339.392	0.426	1	7	7	CCOC(=O)CNC(=O)[C@H]1COCCN1Cc1oc(CC)nc1C
342598672	ZINC000590818394	ref	4.53	-10.58	0	296.367	1.196	2	4	3	COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@H]2CC23CCOCC3)C1
197597674	ZINC000162863146	ref	5.0	-40.95	1	300.83	2.283	2	3	8	COCC[NH2+]Cc1cc(Cl)ccc1N(C)CC(C)(C)O
197597676	ZINC000162863146	high	4.23	-2.85	0	300.83	2.283	2	4	8	COCCNCc1cc(Cl)ccc1N(C)CC(C)(C)O
197597678	ZINC000162865397	ref	5.89	-43.42	1	324.49	2.966	2	3	6	C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)[C@@H]1CCOC1
178292997	ZINC000041726219	ref	6.24	-38.37	1	206.333	2.789	1	1	2	Cc1cc2c(n1CC(C)C)CCC[C@H]2[NH3+]
214176551	ZINC000293470223	ref	3.0	-13.97	0	351.403	0.808	3	6	4	COC(=O)c1cc(NC(=O)C(=O)NC[C@@]2(O)CCCC2(C)C)cn1C
133427919	ZINC000306423983	ref	5.45	-11.86	0	178.235	1.325	0	2	2	CN(CC#N)C(=O)[C@@H]1CC=CCC1
178292999	ZINC000082787219	ref	8.27	-12.89	0	273.332	3.264	0	4	4	CCOC(=O)C(C)(C)Oc1cccc2ccc(C)nc12
178293001	ZINC000082786641	ref	5.01	-5.59	0	252.115	2.304	2	2	1	N=C1CCC(c2ccc(Br)cc2)=NN1
365623293	ZINC000643089602	ref	0.26	-53.34	1	289.426	1.166	2	4	4	Cc1nc(S(=O)(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)sc1C
178293003	ZINC000082786641	mid	4.96	-36.89	1	252.115	2.304	2	1	1	[NH2+]=C1CCC(c2ccc(Br)cc2)=NN1
342083221	ZINC000625343256	ref	2.13	-12.83	0	281.418	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@H](CC)OC)OCC
299072396	ZINC000567669312	ref	7.04	-48.77	-1	280.324	2.018	1	4	5	C[C@@H](C(=O)[O-])N(C)C(=O)NCc1ccc([C@H]2C[C@H]2C)o1
299072401	ZINC000567667605	ref	5.27	-8.32	0	278.327	2.29	2	2	4	CCO[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCc2c(F)cccc21
365623300	ZINC000643089602	mid	-0.48	-72.43	0	289.426	1.166	1	4	4	Cc1nc(S(=O)(=O)[N-][C@@H]2CC[C@@H](C[NH3+])C2)sc1C
365623305	ZINC000172826508	ref	4.4	-7.79	0	265.353	1.521	2	4	7	CCOC(=O)C(C)(C)NC[C@H](O)Cc1ccccc1
342083222	ZINC000625343243	ref	2.58	-41.08	-1	287.381	1.876	1	4	8	CCC[C@@H](CNS(=O)(=O)c1ccccc1[O-])OCC
342083223	ZINC000625343243	mid	1.52	-8.82	0	287.381	1.876	2	4	8	CCC[C@@H](CNS(=O)(=O)c1ccccc1O)OCC
365623313	ZINC000172826508	low	5.58	-44.04	1	265.353	1.521	2	3	7	CCOC(=O)C(C)(C)[NH2+]C[C@H](O)Cc1ccccc1
365623319	ZINC000172827207	ref	1.08	-10.28	0	283.397	1.097	1	5	4	CC(=O)NC[C@@H]1CN(Cc2sc(C)nc2C)CCO1
210256105	ZINC000000645935	ref	12.98	-11.81	0	366.825	5.547	0	4	3	O=C1C(=Cc2ccc(Sc3ccc(Cl)cc3)o2)C(=O)c2ccccc21
365623326	ZINC000172827207	low	3.17	-46.41	1	283.397	1.097	2	4	4	CC(=O)NC[C@@H]1C[N@H+](Cc2sc(C)nc2C)CCO1
365623330	ZINC000172827207	low	3.38	-45.04	1	283.397	1.097	2	4	4	CC(=O)NC[C@@H]1C[N@@H+](Cc2sc(C)nc2C)CCO1
365623339	ZINC000565298884	ref	5.51	-47.17	1	296.367	1.903	2	4	10	CC(C)OCC[C@H](O)C[NH2+]CCc1ccccc1[N+](=O)[O-]
365623350	ZINC000172829735	ref	-0.31	-12.27	0	291.229	1.422	3	3	5	C[C@@H](NC(N)=O)C(=O)Nc1ccc(F)cc1OC(F)F
365623362	ZINC000172827839	ref	3.87	-12.67	0	267.325	1.614	1	4	7	COc1cccc(O[C@@H](C)CNC(=O)[C@H](C)OC)c1
306234514	ZINC000557851524	ref	6.77	-13.64	0	330.388	1.867	2	5	6	CCOC(=O)C1(CNC(=O)NCc2cnn3ccccc23)CCC1
365623366	ZINC000172821690	ref	4.39	-7.81	0	270.764	1.937	2	4	5	CCc1c(Cl)nc(C)nc1NCC(=O)NC(C)C
342083224	ZINC000625343952	ref	3.42	-13.04	0	290.335	1.608	1	2	3	CNS(=O)(=O)N1CCC[C@@H](c2ccc(F)c(F)c2)C1
365623377	ZINC000172823151	ref	2.7	-15.65	0	284.319	1.145	1	5	2	O=C(c1cccc(O)c1)N1CCN(c2cccnn2)CC1
210256111	ZINC000000641581	ref	4.39	-16.45	0	364.785	3.927	2	5	5	COc1cc(OC)c(NC(=O)Oc2ccc(NC(C)=O)cc2)cc1Cl
197597668	ZINC000290109660	ref	6.22	-11.74	0	258.724	2.759	1	2	5	CCN(CC)C(=O)CNc1cccc(F)c1Cl
342598673	ZINC000590817168	ref	8.62	-98.01	2	279.375	1.374	2	1	9	C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(C)(F)F
342598674	ZINC000590817168	high	6.15	-44.4	1	279.375	1.374	1	2	9	CN(C)CCN(CC[NH+](C)C)C(=O)CCC(C)(F)F
342598675	ZINC000590817168	high	3.69	-5.78	0	279.375	1.374	0	3	9	CN(C)CCN(CCN(C)C)C(=O)CCC(C)(F)F
303960087	ZINC000412059585	ref	5.9	-14.57	0	331.372	1.424	1	6	6	COC(=O)[C@H](CNC(=O)c1cnn(C)c1OC)c1ccc(C)cc1
349535908	ZINC000093293692	ref	5.8	-65.04	-1	294.336	0.739	0	7	6	CN(CCc1cccs1)C(=O)Cn1cc(C(=O)[O-])nn1
214176558	ZINC000053300021	ref	5.75	-11.04	0	347.459	2.563	3	3	7	CC(C)CNC(=O)c1ccccc1NC(=O)CNC(=O)CC(C)(C)C
342598676	ZINC000616985425	ref	5.02	-14.15	0	294.307	1.902	1	5	5	CC[C@]1(NC(=O)c2cc(OC)ccc2[N+](=O)[O-])CCOC1
342598677	ZINC000590818384	ref	3.78	-9.59	0	264.272	1.282	2	3	4	COC(=O)[C@H]1CC[C@@H](NC(=O)NCC(C)(F)F)C1
214176561	ZINC000053314279	ref	4.38	-15.83	0	336.338	2.413	3	3	5	C[C@H](NC(=O)c1cc(C(=O)c2ccc(F)cc2F)c[nH]1)C(C)(C)O
293079782	ZINC000360666112	ref	6.59	-10.44	0	295.345	3.094	0	2	4	COC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](C(F)(F)F)[C@@H]1C
210256116	ZINC000000641819	ref	8.52	-20.19	0	355.246	4.677	2	3	3	CSc1ccc(NC(=O)NC(=O)c2ccc(Cl)cc2Cl)cc1
178293000	ZINC000005892292	ref	5.2	-11.4	0	227.271	1.594	2	5	0	Cc1cc2c3c(N)nc(N)nc3ccc2n1C
178293007	ZINC000049814705	ref	7.27	-4.61	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)C[C@@H](C)C[C@H]2C
214176568	ZINC000053312535	ref	8.72	-13.46	0	340.379	2.94	1	5	5	CCc1cccc2c1ccc1c(NCC(=O)N(C)OC)cc(=O)oc12
214176581	ZINC000053314293	ref	1.26	-19.12	0	345.467	1.8	0	6	5	Cc1ccc(S(=O)(=O)/C=C/S(=O)(=O)CC2=NCCS2)cc1
342598678	ZINC000590818255	ref	4.37	-11.63	0	277.299	1.674	2	3	5	CCO[C@H]1C[C@H]1NC(=O)NCc1ccc(C#N)c(F)c1
342598679	ZINC000590817360	ref	4.57	-11.62	0	269.276	1.685	2	3	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1CC[C@@H](F)C1
259308746	ZINC000323001199	ref	4.25	-13.94	0	237.259	1.531	2	4	5	CNC(=O)C[C@@H](C)Nc1ccccc1[N+](=O)[O-]
342598680	ZINC000590817077	ref	2.59	-10.4	0	295.339	1.344	3	4	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1C[C@@H](O)C[C@@H](C)C1
342598681	ZINC000590818808	ref	2.74	-12.74	0	267.285	1.446	2	5	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ncc(C)o1
178293002	ZINC000237006814	high	3.54	-12.64	0	352.523	1.199	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1
178293004	ZINC000237009074	ref	6.58	-41.26	1	373.457	1.182	2	5	5	CCCn1c(=O)[nH]c(=O)c2c(C(=O)N3CCC[C@H]3C[NH3+])cc(C(C)C)nc21
178293008	ZINC000237015184	ref	5.98	-45.58	1	367.515	1.789	1	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)c1
178293011	ZINC000237015012	ref	4.7	-55.0	1	367.515	1.917	1	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)c1
178293016	ZINC000237010044	ref	7.76	-65.91	1	366.527	1.882	1	3	9	CC[NH2+]CC1CCN(C(=O)CS(=O)(=O)CCCc2ccccc2)CC1
178293018	ZINC000237012113	ref	7.58	-59.28	1	368.437	1.679	1	5	5	CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)nc1
178293021	ZINC000237017641	ref	2.54	-51.5	1	363.487	1.816	1	6	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1
178293025	ZINC000237017641	high	2.26	-12.79	0	363.487	1.816	1	7	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1
178293026	ZINC000237004081	ref	4.76	-47.31	1	367.515	1.835	2	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1
178293028	ZINC000237005346	ref	7.44	-54.53	1	361.486	1.726	1	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1
346818940	ZINC000589954095	ref	10.35	-9.41	0	275.351	3.225	1	1	2	C[C@H]1C[C@@H]1NC(=O)c1ccc(C#Cc2ccccc2)cc1
343994445	ZINC000139389819	ref	3.18	-7.86	0	149.197	1.077	0	3	1	c1cnnc(N2CCCC2)c1
178293030	ZINC000237005346	high	7.17	-13.76	0	361.486	1.726	1	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1
178293032	ZINC000237009904	ref	4.44	-51.78	1	367.515	1.51	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
214176554	ZINC000337602962	ref	6.83	-41.17	1	285.457	2.056	3	2	6	CCS[C@@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCC2)C1
178293034	ZINC000237009904	high	4.11	-13.24	0	367.515	1.51	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
214176559	ZINC000337602962	mid	3.64	-8.78	0	285.457	2.056	2	3	6	CCS[C@@H]1CCC[C@@H](NC(=O)NCCN2CCC2)C1
178293036	ZINC000237013114	ref	3.69	-54.14	1	353.488	1.001	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1
346818982	ZINC000589953243	ref	7.75	-7.29	0	251.757	3.106	1	1	4	Cc1ccc(CCC(=O)N[C@@H]2C[C@H]2C)cc1Cl
259308748	ZINC000306290485	ref	6.92	-3.24	0	212.724	3.501	1	2	2	Cc1cc(Cl)cnc1NCC(C)(C)C
343994448	ZINC000139369541	ref	2.62	-45.91	-1	140.138	0.75	0	3	0	O=C1CCCC(=O)C1=C[O-]
365623310	ZINC000336543292	ref	4.31	-10.59	0	256.305	2.368	1	3	3	Cc1ccncc1C(=O)N(C)Cc1ccc(O)cc1
365623317	ZINC000336542841	ref	3.98	-53.77	1	285.319	2.498	2	3	3	CC(C)(C[NH3+])C(=O)Nc1nc2cc(F)c(F)cc2s1
365623325	ZINC000336542734	ref	6.23	-9.45	0	259.353	2.474	1	2	2	Cc1cnccc1CNC(=O)N1CC[C@@H]2CCC[C@H]21
343995025	ZINC000625564158	mid	7.63	-28.41	1	209.333	2.286	1	1	5	CCO[C@H](C[N@H+]1CC2CC1(C)C2)C1CC1
342598682	ZINC000590817629	ref	6.06	-19.0	0	293.367	1.279	0	5	5	Cn1cc([C@@H]2CCCN2C(=O)COC[C@H]2CCCO2)cn1
197597682	ZINC000162875686	ref	5.27	-9.74	0	312.36	2.625	2	2	3	C[C@H](CNC(=O)N1CCC[C@](C)(O)C1)c1ccc(F)cc1F
365623333	ZINC000336542829	ref	5.59	-16.4	0	261.325	2.415	2	3	3	CC(=O)Nc1ncccc1NC(=O)[C@H]1CC[C@@H](C)C1
282120403	ZINC000270552297	mid	9.79	-36.4	1	282.351	1.9	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1[nH+]c3ccccc3n1C)CC2
365623343	ZINC000336542736	ref	6.28	-9.3	0	259.353	2.474	1	2	2	Cc1cnccc1CNC(=O)N1CC[C@H]2CCC[C@@H]21
365623349	ZINC000336543496	ref	5.95	-14.19	0	285.347	2.202	1	3	2	C[C@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@@H](C2CC2)O1
365623353	ZINC000336543409	ref	5.51	-12.28	0	289.31	2.375	1	4	3	C[C@@H]1C[C@H](C(=O)Nc2ccc(-n3cccn3)c(F)c2)CO1
365623358	ZINC000336543404	ref	5.0	-7.83	0	253.371	2.355	0	4	1	Cc1nnsc1C(=O)N1CC[C@H](C(C)(C)C)C1
342598683	ZINC000590817987	ref	6.09	-8.77	0	281.312	1.122	2	5	4	CCc1cc(NC(=O)N[C@H]2CCC[C@H]2C(=O)OC)no1
282120405	ZINC000329908665	ref	4.29	-15.58	0	335.408	0.695	1	6	1	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CCO[C@]3(CCO[C@H]3C)C1)CC2
282120412	ZINC000329908665	mid	4.31	-15.92	0	335.408	0.695	1	6	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCO[C@]3(CCO[C@H]3C)C1)CC2
282120414	ZINC000329332589	ref	7.65	-16.11	0	311.389	2.392	1	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1Cc3ccccc3[C@H]1C)CC2
282120415	ZINC000329852292	ref	5.72	-17.51	0	301.354	0.528	1	6	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCn3ccnc3C1)CC2
306234515	ZINC000557853553	ref	7.62	-46.94	1	348.472	1.821	1	4	3	C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
282120418	ZINC000329852292	low	6.19	-48.95	1	301.354	0.528	1	5	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CCn3cc[nH+]c3C1)CC2
342598684	ZINC000590818874	ref	4.72	-37.43	1	299.459	1.191	3	2	9	COCCCNC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
259308751	ZINC000306315129	ref	6.32	-4.11	0	239.116	2.302	0	2	2	C#C[C@@H](C)N(C)c1ccncc1Br
210256124	ZINC000000643305	ref	5.31	-14.15	0	359.451	2.897	1	4	4	C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccnc2)cc1
210256131	ZINC000000641558	ref	9.1	-5.57	0	368.26	6.045	1	3	4	COc1ccc(NC(=O)Oc2cc(C)c(Cl)cc2C(C)C)c(Cl)c1
210256144	ZINC000000642483	ref	11.27	-17.87	0	363.325	2.866	0	7	2	O=C(Oc1cc(=O)oc2c1c(=O)n1c3c(cccc23)CCC1)c1ccco1
365623323	ZINC000623053277	ref	4.05	-47.36	1	312.373	1.328	3	3	2	O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1nc2ccccc2c(=O)[nH]1
365623332	ZINC000623053277	mid	2.98	-69.85	0	312.373	1.328	2	3	2	O=C(N[C@H]1CC[NH2+]C2(CCC2)C1)c1nc2ccccc2c(=O)[n-]1
343994449	ZINC000079939639	ref	4.39	-10.19	0	268.313	2.056	2	4	7	CCCCNC(=O)NCc1ccc(C(=O)OCC)o1
212170788	ZINC000335492176	ref	7.13	-7.86	0	264.369	2.363	0	3	3	CC[C@H]1CN(C(=O)c2ccc(C)n2C)C[C@H](CC)O1
299072397	ZINC000459277733	ref	7.84	-12.16	0	306.381	2.925	1	2	4	CO[C@H]1C[C@H](NC(=O)N(C)Cc2ccc(F)cc2)C12CCC2
365623341	ZINC000623051774	ref	-0.68	-15.03	0	314.363	1.16	2	5	7	COCCN(C)S(=O)(=O)Nc1ccc2oc(CO)cc2c1
343994458	ZINC000079940321	ref	7.35	-44.45	1	287.407	2.155	3	1	6	O=C(NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)NC1CC1
398246716	ZINC000650862922	ref	3.83	-13.26	0	292.326	1.48	1	3	5	O=C(NCCOC[C@H]1CCOC1)N1CCCC(F)(F)C1
398246717	ZINC000650864038	ref	3.34	-38.38	1	281.4	1.075	4	2	4	O=C(NC1CC[NH+](CCO)CC1)NC1CC2(CCC2)C1
178293015	ZINC000026164416	ref	6.78	-10.54	0	212.204	2.634	0	3	0	Cc1cc2c(o1)-c1ccccc1C(=O)C2=O
178293020	ZINC000001635066	ref	6.22	-7.24	0	234.301	2.893	0	4	0	Cc1cc2c(s1)C(=O)c1sccc1C2=O
178293027	ZINC000077311701	ref	8.08	-11.35	0	227.223	2.933	1	3	1	Cc1cc2c(nc1[N+](=O)[O-])[nH]c1ccccc12
168365619	ZINC000044463482	ref	2.56	-42.74	1	175.235	1.453	2	1	2	C[C@@H]([NH3+])Cc1n[nH]c2ccccc12
282120408	ZINC000251541300	mid	10.21	-83.15	2	330.476	2.025	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1
282120410	ZINC000251541300	high	8.21	-41.04	1	330.476	2.025	2	2	4	CN1CC[C@@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccccc1
178293031	ZINC000027208094	ref	4.92	-11.97	0	221.285	1.569	1	4	0	Cc1cc2c(s1)NC1=NC(=O)[C@H](C)N1C2
365623352	ZINC000623051896	ref	2.64	-41.57	-1	303.366	1.102	2	3	2	CNC(=O)c1ccc(=NC(=O)N[C@H]2CC23CCCCC3)[n-]n1
349533135	ZINC000621480009	ref	8.51	-13.48	0	298.39	3.017	1	3	3	CCn1ncc(C)c1NC(=O)N1CC(C)(c2ccccc2)C1
306234516	ZINC000557853553	high	5.22	-14.83	0	348.472	1.821	0	5	3	C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc2c(c1)ncn2C
365623354	ZINC000617375916	ref	3.66	-9.33	0	254.33	0.54	1	3	5	CCOC1CCN(C(=O)CNC(=O)C2CC2)CC1
365623363	ZINC000617374749	ref	2.18	-14.64	0	284.356	0.023	1	4	5	COC[C@@H](NC(=O)[C@H]1CC(=O)N(C)C1)C1CCOCC1
365623372	ZINC000617375217	ref	3.17	-11.74	0	298.383	0.413	1	4	6	CCN1C[C@H](C(=O)N[C@@H](COC)C2CCOCC2)CC1=O
365623380	ZINC000617376445	ref	0.78	-9.72	0	272.345	0.069	2	4	6	COC[C@@H](NC(=O)[C@@H](C)NC(C)=O)C1CCOCC1
343994450	ZINC000139369541	mid	4.15	-40.46	-1	140.138	0.75	0	3	1	O=CC1=C([O-])CCCC1=O
365623387	ZINC000617386219	ref	1.18	-55.85	-1	298.284	0.345	0	8	4	CCn1cc([N+](=O)[O-])c(C(=O)N=c2[n-]nc(OC)s2)n1
342083225	ZINC000238094868	ref	6.93	-49.53	1	284.363	1.869	2	3	4	O=C(Nc1ccn(Cc2ccccc2)n1)C1CC[NH2+]CC1
365623397	ZINC000617374915	ref	3.42	-19.56	0	294.351	0.557	1	5	5	COC[C@H](NC(=O)c1ccn(C)c(=O)c1)C1CCOCC1
365623405	ZINC000617376447	ref	0.78	-9.41	0	272.345	0.069	2	4	6	COC[C@@H](NC(=O)[C@H](C)NC(C)=O)C1CCOCC1
365623412	ZINC000617387539	ref	4.66	-17.74	0	292.339	0.508	0	6	4	CC(=O)c1cn(CC(=O)N2CCO[C@](C)(C3CC3)C2)nn1
365623427	ZINC000617373686	ref	1.59	-9.11	0	286.372	0.459	2	4	7	CCC(=O)N[C@@H](C)C(=O)N[C@H](COC)C1CCOCC1
365623438	ZINC000617375218	ref	3.12	-11.95	0	298.383	0.413	1	4	6	CCN1C[C@@H](C(=O)N[C@H](COC)C2CCOCC2)CC1=O
365623444	ZINC000617373914	ref	2.97	-6.99	0	271.357	0.969	1	4	7	CCO[C@@H]1C[C@H]1C(=O)N[C@@H](COC)C1CCOCC1
299072398	ZINC000358087312	ref	3.2	-16.76	0	321.358	1.388	1	6	5	COC1CN(C(=O)Cc2csc(NC(=O)c3ccco3)n2)C1
365623462	ZINC000617373916	ref	4.32	-10.5	0	271.357	0.969	1	4	7	CCO[C@@H]1C[C@@H]1C(=O)N[C@@H](COC)C1CCOCC1
365623468	ZINC000617387466	ref	1.89	-14.44	0	252.314	0.293	1	3	3	C[C@]1(C2CC2)CN(C(=O)C[C@@H]2CC(=O)N2)CCO1
365623477	ZINC000617378686	ref	5.66	-24.13	0	261.285	0.672	0	6	3	O=C(Cn1cnnn1)N1CCC(c2ccco2)CC1
365623488	ZINC000617374983	ref	2.19	-14.02	0	272.345	0.023	1	4	6	COC[C@H](NC(=O)CN(C)C(C)=O)C1CCOCC1
365623492	ZINC000617387465	ref	2.19	-14.01	0	252.314	0.293	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C[C@@H]2CC(=O)N2)CCO1
342083226	ZINC000625343474	ref	4.45	-35.63	1	270.417	1.632	3	2	5	C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)NCC(C)(C)C)C1
342083227	ZINC000625343474	mid	4.46	-35.56	1	270.417	1.632	3	2	5	C[C@@H]1CC[C@](CO)([N@@H+](C)CC(=O)NCC(C)(C)C)C1
342083228	ZINC000625343474	high	2.3	-8.99	0	270.417	1.632	2	3	5	C[C@@H]1CC[C@](CO)(N(C)CC(=O)NCC(C)(C)C)C1
365623355	ZINC000625031902	ref	7.46	-18.3	0	319.449	2.361	1	2	2	C[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC12CCC2
365623369	ZINC000625037947	ref	8.07	-21.39	0	315.417	2.29	1	2	4	Cc1cccc(CN(C)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)c1
343994451	ZINC000599272482	mid	5.9	-39.78	1	255.314	1.587	2	4	7	CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@H](C)c1ccco1
306234517	ZINC000557850820	ref	2.78	-16.97	0	348.513	1.383	2	3	6	CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)NCCCC(C)(C)C)C1
197597693	ZINC000162868158	ref	6.24	-9.24	0	304.39	3.083	2	3	4	COc1ccc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c(C)c1
343994454	ZINC000599272482	mid	3.26	-11.47	0	255.314	1.587	1	5	7	CCOC(=O)C[C@@H](O)CN(C)[C@H](C)c1ccco1
168365621	ZINC000004503358	ref	1.36	-40.53	1	125.175	0.23	1	2	2	C[C@@H]([NH3+])Cn1cccn1
365623376	ZINC000625031917	ref	7.1	-18.98	0	305.422	2.114	1	2	2	O=C1[C@H](NC(=O)N2CCC[C@H]3CCC[C@@H]32)CCN1C1CCC1
365623385	ZINC000625032338	ref	8.09	-19.2	0	315.417	2.29	1	2	4	Cc1ccc(CN(C)C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1
365623393	ZINC000625035732	ref	7.43	-25.1	0	319.38	2.12	1	2	4	CN(Cc1ccccc1F)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365623406	ZINC000625035793	ref	3.16	-11.58	0	314.341	2.352	1	5	4	COc1ccc(C(=O)N[C@H]2CCOc3c(OC)cccc32)cn1
365623411	ZINC000625034934	ref	6.37	-9.56	0	303.468	2.499	0	3	8	CCO[C@H](CS(=O)(=O)N1CC[C@H](CC(C)C)C1)C1CC1
365623418	ZINC000625037441	ref	4.31	-8.85	0	311.394	2.251	0	3	5	CCC(F)(F)C(C)(C)CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)O2
282120411	ZINC000425851034	ref	9.14	-40.89	1	293.455	2.548	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H](C3CC3)C2)C1
282120416	ZINC000337891951	ref	5.88	-42.48	1	305.369	1.74	2	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCC[C@@H]2OC(F)F)C1
342083229	ZINC000625343211	ref	2.57	-56.34	1	292.383	1.222	1	4	5	CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cncc(OC)n1
342083230	ZINC000625343211	high	1.62	-11.45	0	292.383	1.222	1	5	5	CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cncc(OC)n1
342083231	ZINC000625344493	ref	3.77	-6.82	0	295.383	1.955	0	6	7	CCO[C@H](CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1)C1CC1
342083232	ZINC000625344493	mid	5.58	-33.13	1	295.383	1.955	1	5	7	CCO[C@H](C[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1)C1CC1
342083233	ZINC000625344493	mid	5.15	-38.47	1	295.383	1.955	1	5	7	CCO[C@H](C[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1)C1CC1
342083234	ZINC000625343603	ref	0.91	-34.68	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@](CO)([N@H+](C)C[C@@H](O)CC2(O)CCC2)C1
342083235	ZINC000625343603	mid	1.17	-34.87	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@@H](O)CC2(O)CCC2)C1
342083236	ZINC000625342925	ref	4.69	-34.26	1	256.39	1.384	3	2	6	CC(C)(C)CNC(=O)C[N@H+](CC(C)(C)O)C1CC1
342083237	ZINC000625342925	mid	4.2	-35.13	1	256.39	1.384	3	2	6	CC(C)(C)CNC(=O)C[N@@H+](CC(C)(C)O)C1CC1
342083238	ZINC000625342925	mid	3.23	-7.05	0	256.39	1.384	2	3	6	CC(C)(C)CNC(=O)CN(CC(C)(C)O)C1CC1
342083239	ZINC000625344500	ref	3.16	-4.97	0	295.383	1.955	0	6	7	CCO[C@@H](CN1C[C@@H](OC)C[C@@H]1c1nc(C)no1)C1CC1
361822922	ZINC000614362746	ref	4.92	-19.13	0	318.377	1.072	3	5	8	CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCCc1nnc[nH]1
346818944	ZINC000601316598	ref	6.21	-14.75	0	287.768	2.427	0	4	2	COC(=O)[C@]1(C)CCN(C(=O)c2cscc2Cl)C1
346818954	ZINC000601316995	ref	7.94	-44.62	1	281.469	2.439	1	3	5	CSCC1CCC([NH+]2CCN(CCC#N)CC2)CC1
343994455	ZINC000139350603	ref	3.8	-42.85	-1	156.181	0.932	1	3	3	O=C([O-])[C@@H](O)CC1=CCCC1
342083240	ZINC000625344500	mid	5.77	-34.06	1	295.383	1.955	1	5	7	CCO[C@@H](C[N@@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1)C1CC1
342083241	ZINC000625344500	mid	5.41	-35.69	1	295.383	1.955	1	5	7	CCO[C@@H](C[N@H+]1C[C@@H](OC)C[C@@H]1c1nc(C)no1)C1CC1
342083242	ZINC000625343757	ref	3.19	-9.94	0	268.329	1.16	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCC2)C[C@H](C)C1(F)F
346818958	ZINC000601316995	high	5.73	-6.57	0	281.469	2.439	0	4	5	CSCC1CCC(N2CCN(CCC#N)CC2)CC1
343994459	ZINC000139391717	ref	1.47	-32.53	-1	198.222	0.501	1	4	3	CCCCn1c([O-])c(C)c(=O)[nH]c1=O
398246718	ZINC000076769120	ref	6.84	-36.63	1	241.404	2.479	1	3	5	CSC[C@H](C)[NH2+]Cc1cnn(C(C)(C)C)c1
398246720	ZINC000076769120	high	5.64	-5.06	0	241.404	2.479	1	4	5	CSC[C@H](C)NCc1cnn(C(C)(C)C)c1
398246722	ZINC000076769288	ref	7.43	-34.17	1	238.4	2.594	1	2	6	CSC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1
212170794	ZINC000335492738	ref	7.86	-18.15	0	298.386	2.35	1	2	3	C[C@]1(C(=O)N[C@@H]2CC23CC3)CCCN1C(=O)c1ccccc1
212170798	ZINC000335492175	ref	6.11	-5.74	0	278.352	2.404	0	4	2	Cc1cc(C(=O)N2CCO[C@@H](C3CCCCC3)C2)on1
212170799	ZINC000335493348	ref	6.16	-12.87	0	263.312	2.232	0	2	3	O=C(c1cccc([C@@H]2CCOC2)c1)N1CC(CF)C1
212170806	ZINC000335493150	ref	0.62	-9.46	0	266.272	0.712	3	3	2	Cc1cc(F)cc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)c1
212170812	ZINC000335493210	ref	4.43	-9.49	0	270.332	3.024	1	3	3	O=C(NCc1nc2ccccc2o1)C1CC2(CCC2)C1
212170818	ZINC000335492783	ref	2.35	-10.09	0	253.346	0.677	1	3	3	CC/C=C/CNC(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1
212170821	ZINC000335492783	low	4.34	-45.27	1	253.346	0.677	2	2	3	CC/C=C/CNC(=O)N1C[C@@H]2OCC[N@H+](C)[C@@H]2C1
212170823	ZINC000335492783	low	4.88	-38.03	1	253.346	0.677	2	2	3	CC/C=C/CNC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@@H]2C1
282120417	ZINC000418679431	ref	7.47	-94.09	2	316.449	1.335	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1
282120419	ZINC000372265731	ref	9.11	-40.83	1	344.503	3.296	2	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](c2cccnc2)C2CCCCC2)C1
282120421	ZINC000129713391	ref	9.15	-41.74	1	321.852	2.92	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CCc3c(Cl)cccc32)C1
282120422	ZINC000129550054	ref	9.63	-40.12	1	317.477	3.367	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C)C1
282120424	ZINC000408352669	ref	3.11	-51.58	1	303.428	0.157	2	3	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1
365623359	ZINC000623051896	low	2.1	-12.1	0	303.366	1.102	3	3	2	CNC(=O)c1ccc(=NC(=O)N[C@H]2CC23CCCCC3)[nH]n1
365623370	ZINC000623051925	ref	3.93	-15.85	0	323.374	1.01	1	5	4	CCN(c1cccc(C)c1)S(=O)(=O)c1cn(C)c(=O)[nH]c1=O
197597692	ZINC000290110231	ref	3.37	-10.61	0	261.281	0.956	0	4	3	O=C(c1ocnc1C1CC1)N1CC(=O)N(C2CC2)C1
365623379	ZINC000623053738	ref	6.36	-51.94	1	319.796	1.699	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCC[C@@H]([NH3+])C1
342598685	ZINC000590818874	mid	6.87	-94.35	2	299.459	1.191	3	2	9	COCCCNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
365623392	ZINC000623053503	ref	7.93	-41.12	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1
365623400	ZINC000623051957	ref	3.3	-13.13	0	313.354	1.404	1	4	1	O=C(Nc1ccc(F)cn1)N1CCS(=O)(=O)[C@@H]2CCC[C@H]21
342598686	ZINC000590818874	mid	4.71	-38.61	1	299.459	1.191	2	3	9	COCCCNC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
342598687	ZINC000590818874	mid	4.72	-37.43	1	299.459	1.191	2	3	9	COCCCNC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
365623410	ZINC000623051581	ref	5.03	-20.43	0	304.35	1.532	1	6	3	Cc1noc2ncn(CC(=O)NC3CCCCCC3)c(=O)c12
282120425	ZINC000408352669	high	0.7	-19.4	0	303.428	0.157	1	4	3	CN(C)C[C@@H]1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)C1
349533136	ZINC000594965075	ref	4.73	-14.2	0	299.411	2.614	1	2	5	COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c(F)c1
365623421	ZINC000623050894	ref	6.68	-95.98	2	303.454	1.47	2	3	7	C[NH+](C)CCN1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1
214176557	ZINC000293461867	ref	1.7	-10.52	0	365.34	0.851	2	6	3	O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1
365623432	ZINC000623052489	ref	5.65	-13.5	0	317.433	1.554	1	3	6	Cc1ccccc1CNC(=O)[C@@H](C)N(C)CC(=O)N1CCCC1
323004222	ZINC000126712649	ref	7.71	-31.99	1	212.337	1.728	1	1	6	CC[C@@H](C)N(C)C(=O)C[N@H+](CC)C1CC1
178293037	ZINC000049454304	ref	7.16	-50.78	-1	235.264	2.508	0	5	1	Cc1cc2c(s1)CCc1c(C(=O)[O-])noc1-2
190492210	ZINC000269409125	ref	5.9	-10.28	0	286.375	2.944	1	3	5	CO[C@H](CNC(=O)c1ccc2nc(C)ccc2c1)C(C)C
365623365	ZINC000336543423	ref	6.21	-10.71	0	254.374	2.197	0	2	3	CCN(CC)C(=O)N1CCC[C@H]([C@@H]2CCOC2)C1
365623373	ZINC000336543127	ref	5.74	-12.53	0	283.318	2.396	1	2	3	C[C@@H]1CN(C(=O)Cc2cccc(C(F)F)c2)CC[C@@H]1O
365623381	ZINC000336543267	ref	8.64	-39.36	1	250.386	2.43	1	1	3	CC[NH+]1CCC(N(C)C(=O)C2=CCCCC2)CC1
365623391	ZINC000336543267	high	6.28	-7.19	0	250.386	2.43	0	2	3	CCN1CCC(N(C)C(=O)C2=CCCCC2)CC1
349533139	ZINC000621479967	ref	6.62	-8.11	0	289.375	3.157	1	3	4	COCC1(C(=O)Nc2ccc3c(c2)CCO3)CCCCC1
178293043	ZINC000052213956	ref	6.74	-39.12	1	232.371	3.494	1	1	1	Cc1cc2c(n1C1CCC1)CC(C)(C)C[C@H]2[NH3+]
178293050	ZINC000041727716	ref	7.12	-38.49	1	220.36	3.179	1	1	3	Cc1cc2c(n1CCC(C)C)CCC[C@@H]2[NH3+]
365623398	ZINC000336543013	ref	7.1	-8.41	0	287.359	2.261	0	3	2	C[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@@H](C2CC2)O1
178293056	ZINC000104108080	ref	7.54	-9.29	0	245.326	2.515	2	3	1	Cc1cc2c(n1-c1ncc[nH]1)CC(C)(C)C[C@H]2O
365623403	ZINC000336543177	ref	3.8	-9.25	0	291.269	2.371	1	3	2	CCc1occc1C(=O)N1CCC[C@](O)(C(F)(F)F)C1
365623408	ZINC000336543098	ref	6.75	-51.71	1	256.349	2.113	2	1	2	O=C(Nc1ccc2c(c1)CCC2)[C@H]1C[C@@]12CC[NH2+]C2
365623419	ZINC000336542775	ref	6.8	-41.41	1	267.332	2.173	2	2	2	O=C(Nc1ccc2ccccc2n1)[C@@H]1C[C@@]12CC[NH2+]C2
365623424	ZINC000336542688	ref	6.3	-40.75	1	252.745	2.221	1	1	3	C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)[C@H]1CC[NH2+]1
365623430	ZINC000336543008	ref	5.2	-13.25	0	281.381	2.223	1	3	3	CC[C@@H]1C(=O)N(CC)CCN1C(=O)Nc1ccsc1
365623436	ZINC000336543166	ref	3.57	-4.94	0	282.334	2.141	0	3	3	FC(F)c1cccc(CN2CCN3CCOC[C@@H]3C2)c1
365623442	ZINC000336543166	mid	6.03	-41.37	1	282.334	2.141	1	2	3	FC(F)c1cccc(C[N@@H+]2CCN3CCOC[C@@H]3C2)c1
365623450	ZINC000336543166	mid	5.43	-41.1	1	282.334	2.141	1	2	3	FC(F)c1cccc(C[N@H+]2CCN3CCOC[C@@H]3C2)c1
178293062	ZINC000104108080	low	7.43	-33.95	1	245.326	2.515	2	2	1	Cc1cc2c(n1-c1[nH]cc[nH+]1)CC(C)(C)C[C@H]2O
365623456	ZINC000336542614	ref	4.64	-4.66	0	252.383	2.451	0	4	3	Cc1nc(CN2C[C@H](C3CC3)O[C@H](C)C2)cs1
365623458	ZINC000336542614	low	6.93	-34.29	1	252.383	2.451	1	3	3	Cc1nc(C[N@@H+]2C[C@H](C3CC3)O[C@H](C)C2)cs1
365623463	ZINC000336542614	low	6.18	-32.66	1	252.383	2.451	1	3	3	Cc1nc(C[N@H+]2C[C@H](C3CC3)O[C@H](C)C2)cs1
365623367	ZINC000576547557	ref	0.87	-41.28	-1	220.272	1.22	2	3	4	C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncccc1O
365623374	ZINC000576547557	high	2.02	-27.84	0	220.272	1.22	1	3	4	C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ncccc1[O-]
190492212	ZINC000269410569	ref	6.73	-9.43	0	279.355	2.862	1	2	7	COCCC1(C(=O)NC[C@H](C)c2ccc(F)cc2)CC1
349533141	ZINC000594965075	high	4.73	-14.2	0	299.411	2.614	1	3	5	COc1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c(F)c1
349533146	ZINC000594965583	ref	4.11	-12.93	0	257.424	2.527	1	2	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1
190492215	ZINC000269410030	ref	6.41	-12.74	0	278.278	2.565	1	3	4	CC(C)CN(C)C(=O)Nc1ccn(CC(F)(F)F)n1
349533149	ZINC000594965583	high	4.11	-12.93	0	257.424	2.527	1	3	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccsc2)C1
349533155	ZINC000594965581	ref	5.43	-13.57	0	295.448	2.783	1	2	5	COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@@H]([S@](C)=O)C1
365623378	ZINC000576547557	high	0.87	-41.28	-1	220.272	1.22	1	4	4	C=C[C@@H]1OCC[C@H]1NCc1ncccc1[O-]
349533161	ZINC000594965581	high	5.43	-13.57	0	295.448	2.783	1	3	5	COc1ccc(C)cc1CN[C@@H]1CCC[C@@H]([S@](C)=O)C1
365623386	ZINC000576541516	ref	1.89	-6.75	0	227.304	0.975	2	3	4	CCO[C@H]1C[C@H]1NC(=O)C1(O)CCCCC1
349533168	ZINC000594965060	ref	6.08	-50.99	1	282.453	2.738	1	2	3	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1
349533174	ZINC000594964971	ref	4.79	-14.9	0	299.411	2.614	1	2	5	COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1F
214176562	ZINC000337604047	ref	3.96	-41.54	1	274.368	0.649	2	3	2	C[N@@H+]1CCC[C@@H]1C(=O)N1CCN[C@H](c2cccnc2)C1
365623399	ZINC000576550418	ref	6.9	-45.72	-1	227.304	1.744	0	3	4	CN(C(=O)CC(C)(C)C(=O)[O-])[C@H]1CC1(C)C
349533179	ZINC000594964971	high	4.79	-14.9	0	299.411	2.614	1	3	5	COc1ccc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cc1F
343994457	ZINC000599271338	ref	6.94	-10.44	0	292.339	1.027	0	6	6	COC(=O)[C@@H](C)CN(C(=O)c1cn(C2CC2)nn1)C1CC1
365623404	ZINC000576552296	ref	2.18	-4.67	0	237.303	1.291	1	5	7	COCCc1nc(CNC2(C3CC3)CC2)no1
349533184	ZINC000594965056	ref	5.88	-55.6	1	282.453	2.738	1	2	3	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)C1
349533192	ZINC000594964568	ref	5.16	-11.04	0	271.451	2.836	1	2	4	Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cs1
349533195	ZINC000594964568	high	5.16	-11.04	0	271.451	2.836	1	3	4	Cc1cc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cs1
259308753	ZINC000306315129	mid	6.78	-35.65	1	239.116	2.302	0	1	2	C#C[C@@H](C)N(C)c1cc[nH+]cc1Br
365623414	ZINC000576552296	low	3.29	-33.03	1	237.303	1.291	1	4	7	COCCc1nc(C[NH2+]C2(C3CC3)CC2)no1
365623422	ZINC000576544610	ref	8.78	-38.53	1	233.359	2.852	1	2	3	C=Cn1cc(C[N@H+]2C[C@H](C)CC(C)(C)C2)cn1
282120420	ZINC000295568378	ref	8.87	-15.56	0	324.344	2.47	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1nccc3cc([N+](=O)[O-])ccc13)CC2
343994460	ZINC000139391717	mid	1.49	-32.64	-1	198.222	0.501	1	4	3	CCCCn1c(=O)[nH]c([O-])c(C)c1=O
178293038	ZINC000237013114	high	3.32	-14.15	0	353.488	1.001	1	4	6	CCS(=O)(=O)N(C)C1CCN(C(=O)[C@@H](CN)c2ccccc2)CC1
282120423	ZINC000153683706	ref	7.24	-10.42	0	308.729	1.97	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1ncc(Cl)cc1[N+](=O)[O-])CC2
282120426	ZINC000264065474	ref	3.96	-10.95	0	264.72	1.457	1	6	2	Cc1nc2n(n1)C[C@@H](Nc1cncc(Cl)n1)CC2
178293040	ZINC000237003920	ref	4.77	-53.45	1	367.515	1.835	2	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1
365623382	ZINC000172823151	high	3.45	-58.4	-1	284.319	1.145	0	5	2	O=C(c1cccc([O-])c1)N1CCN(c2cccnn2)CC1
365623388	ZINC000172822380	ref	3.65	-8.29	0	281.352	1.861	1	4	8	COC[C@@H](C)C(=O)NC[C@@H](C)Oc1cccc(OC)c1
365623396	ZINC000172824912	ref	3.42	-10.79	0	276.292	1.88	1	5	6	COc1cccc(O[C@H](C)CNC(=O)c2ccon2)c1
365623407	ZINC000172821560	ref	4.29	-8.71	0	269.352	1.502	0	5	3	Cc1nccc(N2CCN(Cc3ccncc3)CC2)n1
365623415	ZINC000172821560	low	6.57	-48.87	1	269.352	1.502	1	4	3	Cc1nccc(N2CC[NH+](Cc3ccncc3)CC2)n1
365623423	ZINC000172824878	ref	3.93	-9.78	0	289.335	1.626	1	5	6	COc1cccc(O[C@H](C)CNC(=O)c2ccnn2C)c1
365623429	ZINC000172828363	ref	5.11	-7.83	0	273.764	1.972	0	4	5	CCn1nc(C)c(C(=O)N(C)[C@@H](C)COC)c1Cl
365623441	ZINC000158192240	ref	5.32	-52.76	1	274.368	1.865	1	4	7	Cc1cc(C)cc(OCCCn2cc(CC[NH3+])nn2)c1
365623459	ZINC000172822367	ref	3.59	-8.37	0	281.352	1.861	1	4	8	COC[C@H](C)C(=O)NC[C@H](C)Oc1cccc(OC)c1
178293042	ZINC000237013396	ref	10.82	-58.78	-1	359.426	1.926	0	6	6	CCCn1c(=O)n(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2ccccc21
178293045	ZINC000237004984	ref	3.11	-53.37	1	353.488	1.493	3	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1
178293048	ZINC000237015560	ref	4.93	-55.21	1	353.488	1.54	1	3	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1
178293052	ZINC000237015560	high	3.69	-13.68	0	353.488	1.54	1	4	5	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)c1
365623465	ZINC000172819795	ref	4.13	-11.79	0	267.325	1.615	1	4	8	CCOCC(=O)NC[C@H](C)Oc1cccc(OC)c1
365623474	ZINC000172825633	ref	1.6	-11.37	0	275.312	1.571	1	6	4	CCn1nc(C)c(NC(=O)c2ccc(OC)nn2)c1C
349533142	ZINC000093227353	ref	4.87	-50.53	-1	279.292	0.77	1	5	6	O=C([O-])COCCNC(=O)[C@H]1CCOc2ccccc21
343994461	ZINC000079940321	mid	8.15	-43.88	1	287.407	2.155	3	1	6	O=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)NC1CC1
365623389	ZINC000354681532	ref	4.04	-16.69	0	295.404	1.826	1	3	5	COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC[S@](=O)C1
349533148	ZINC000093228187	ref	6.13	-47.84	-1	263.293	0.936	1	4	7	O=C([O-])COCCNC(=O)C1(c2ccccc2)CC1
299072399	ZINC000466488353	ref	7.41	-10.42	0	282.428	3.022	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@@H]1CCOC1
299072411	ZINC000344634986	ref	7.49	-38.86	1	295.349	2.309	2	1	3	C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)N[C@@H](C)C(F)(F)F
349533154	ZINC000093227127	ref	5.14	-49.45	-1	267.281	0.592	1	5	8	CO[C@@H](C(=O)NCCOCC(=O)[O-])c1ccccc1
349533160	ZINC000093227107	ref	4.57	-49.9	-1	279.292	0.518	1	5	6	O=C([O-])COCCNC(=O)[C@@H]1OCCc2ccccc21
398246719	ZINC000650864038	high	1.04	-9.31	0	281.4	1.075	3	3	4	O=C(NC1CCN(CCO)CC1)NC1CC2(CCC2)C1
365623401	ZINC000354683634	ref	4.89	-11.13	0	291.391	1.769	2	3	8	CCOC1CC(C(=O)NC[C@@H](CO)Cc2ccccc2)C1
349533166	ZINC000093227176	ref	1.83	-11.22	0	262.313	0.626	1	4	4	C[C@H](c1cccnc1)N(C)CC(=O)N1CCNC1=O
365623416	ZINC000354681897	ref	5.92	-16.74	0	296.411	1.837	1	3	6	CC(C)CCN(C(=O)[C@@H]1CC[C@@H](C(N)=O)O1)C1CCCC1
349533170	ZINC000093227176	low	3.78	-35.27	1	262.313	0.626	2	3	4	C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CCNC1=O
349533175	ZINC000093227176	low	3.77	-34.7	1	262.313	0.626	2	3	4	C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CCNC1=O
214725047	ZINC000062633367	ref	6.45	-13.99	0	332.4	2.29	1	4	3	CCOC(=O)N1CCC(NC(=O)[C@@H]2CCOc3ccccc32)CC1
197597710	ZINC000290108166	ref	2.86	-15.22	0	292.339	0.216	0	5	2	CC(C)C(=O)N1CCN(C(=O)c2cc3n(n2)CCO3)CC1
365623431	ZINC000354681764	ref	4.62	-45.11	1	297.443	1.576	3	2	9	CC(C)CCC[C@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
342083243	ZINC000625343750	ref	3.05	-9.91	0	268.329	1.16	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCC2)C[C@@H](C)C1(F)F
398249488	ZINC000190671243	ref	4.34	-8.76	0	247.404	2.675	1	2	5	CCCCS(=O)(=O)N[C@H]1CCC[C@@H](C)CC1
342083244	ZINC000625343503	ref	5.38	-38.14	1	263.328	1.893	2	2	6	CCO[C@@H](C[NH+]1CCC(O)(C(F)F)CC1)C1CC1
342083245	ZINC000625343503	high	2.94	-4.21	0	263.328	1.893	1	3	6	CCO[C@@H](CN1CCC(O)(C(F)F)CC1)C1CC1
342083246	ZINC000625342971	ref	4.73	-7.31	0	284.372	1.796	0	2	4	CCN(CC)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342083247	ZINC000625343477	ref	4.48	-35.74	1	270.417	1.632	3	2	5	C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)NCC(C)(C)C)C1
343994462	ZINC000139391717	low	0.74	-11.96	0	198.222	0.501	2	4	3	CCCCn1c(=O)[nH]c(O)c(C)c1=O
343994465	ZINC000139391717	low	0.86	-10.4	0	198.222	0.501	2	4	3	CCCCn1c(O)c(C)c(=O)[nH]c1=O
346818945	ZINC000611565046	ref	6.25	-10.45	0	288.307	1.533	2	6	4	O=[N+]([O-])c1cccc2ncnc(NC[C@@H]3CCC[C@@H]3O)c12
214176563	ZINC000293469521	ref	0.27	-11.36	0	367.187	0.542	2	5	6	COC[C@](C)(CCO)NC(=O)c1cnn(C)c1I
365623390	ZINC000274321929	ref	1.79	-8.51	0	296.346	1.141	2	4	4	CC[C@@H](O)CN1CCN(C(=O)Nc2cccc(F)n2)CC1
365623394	ZINC000274321929	mid	4.14	-46.63	1	296.346	1.141	3	3	4	CC[C@@H](O)C[NH+]1CCN(C(=O)Nc2cccc(F)n2)CC1
282120427	ZINC000071874951	ref	6.55	-15.97	0	284.327	0.69	1	8	2	Cc1nc2n(n1)C[C@@H](Nc1ncnc3c1cnn3C)CC2
365623402	ZINC000274323489	ref	3.39	-10.72	0	292.379	1.698	2	3	6	CCC(C)(C)N(C)C(=O)CNC(=O)Cc1ccc(O)cc1
282120428	ZINC000071874951	low	6.92	-46.08	1	284.327	0.69	1	7	2	Cc1nc2n(n1)C[C@@H](Nc1[nH+]cnc3c1cnn3C)CC2
197597713	ZINC000162873697	ref	7.03	-19.48	0	312.373	2.458	1	4	2	Cc1cc(=O)n(C)cc1NC(=O)N1CCC[C@@H]1c1ccncc1
342083248	ZINC000625343477	mid	4.47	-35.63	1	270.417	1.632	3	2	5	C[C@H]1CC[C@](CO)([N@@H+](C)CC(=O)NCC(C)(C)C)C1
197597731	ZINC000162865793	ref	6.16	-18.05	0	309.37	2.19	1	6	5	CS[C@H](C)CC(=O)Nc1cc(-n2nnnc2C)ccc1F
342083249	ZINC000625343477	high	2.33	-9.05	0	270.417	1.632	2	3	5	C[C@H]1CC[C@](CO)(N(C)CC(=O)NCC(C)(C)C)C1
342083250	ZINC000625343502	ref	5.36	-38.58	1	263.328	1.893	2	2	6	CCO[C@H](C[NH+]1CCC(O)(C(F)F)CC1)C1CC1
342083251	ZINC000625343502	high	2.85	-3.72	0	263.328	1.893	1	3	6	CCO[C@H](CN1CCC(O)(C(F)F)CC1)C1CC1
342083252	ZINC000625342657	ref	1.27	-11.96	0	273.339	1.226	1	6	4	Cc1noc(C)c1S(=O)(=O)NCc1ccns1
342083253	ZINC000625342657	high	0.88	-35.14	-1	273.339	1.226	0	6	4	Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccns1
342083254	ZINC000625344242	ref	1.57	-36.46	1	251.33	1.22	2	4	6	COc1cncc(C[N@H+](CC(C)(C)O)C2CC2)n1
342083255	ZINC000625344242	mid	1.74	-36.75	1	251.33	1.22	2	4	6	COc1cncc(C[N@@H+](CC(C)(C)O)C2CC2)n1
342083256	ZINC000625344242	mid	0.08	-5.01	0	251.33	1.22	1	5	6	COc1cncc(CN(CC(C)(C)O)C2CC2)n1
342083257	ZINC000625343257	ref	2.17	-9.61	0	281.418	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@H](CC)OC)OCC
342083258	ZINC000625343879	ref	2.61	-17.63	0	283.349	1.01	0	4	2	CC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1
342083259	ZINC000625342649	ref	2.84	-10.53	0	279.402	1.29	1	4	10	CCC[C@@H](CNS(=O)(=O)C1(COC)CC1)OCC
365623409	ZINC000121889932	low	9.75	-51.78	1	298.39	2.307	1	4	3	Cn1cnnc1C[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3
187169756	ZINC000125092047	ref	8.5	-11.71	0	287.367	2.233	1	5	4	CCn1c(C)cc(C(=O)Nc2cnc(N(C)C)nc2)c1C
342083260	ZINC000625343601	ref	2.12	-35.26	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@H](O)CC2(O)CCC2)C1
342083261	ZINC000625343601	mid	2.05	-35.31	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@H](O)CC2(O)CCC2)C1
342083262	ZINC000625343598	ref	0.63	-35.02	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@@](CO)([N@H+](C)C[C@@H](O)CC2(O)CCC2)C1
342083263	ZINC000625343598	mid	1.14	-35.14	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@@](CO)([N@@H+](C)C[C@@H](O)CC2(O)CCC2)C1
178293051	ZINC000082786617	ref	5.01	-6.97	0	252.115	2.304	2	2	1	N=C1CCC(c2cccc(Br)c2)=NN1
178293053	ZINC000082786617	mid	4.96	-37.27	1	252.115	2.304	2	1	1	[NH2+]=C1CCC(c2cccc(Br)c2)=NN1
342083264	ZINC000625343255	ref	2.45	-9.87	0	281.418	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@@H](CC)OC)OCC
342083265	ZINC000625343880	ref	2.64	-18.09	0	283.349	1.01	0	4	2	CC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1
342083266	ZINC000625342738	ref	1.49	-10.01	0	267.391	1.146	1	4	10	CCC[C@@H](CNS(=O)(=O)C[C@H](C)OC)OCC
178293061	ZINC000082787256	ref	8.08	-10.4	0	293.75	3.609	0	4	4	CCOC(=O)C(C)(C)Oc1ccc(Cl)c2cccnc12
365623420	ZINC000121911159	ref	8.51	-12.9	0	299.378	2.468	1	5	4	C[C@H](C(=O)Nc1ccccc1N1CCCCC1)n1cncn1
342083267	ZINC000625344300	ref	10.88	-39.4	1	278.4	1.805	1	4	7	CCO[C@H](C[NH+]1CCC(Cn2cncn2)CC1)C1CC1
178293065	ZINC000082786649	ref	4.66	-6.41	0	282.141	2.313	2	3	2	COc1ccc(Br)cc1C1=NNC(=N)CC1
365623435	ZINC000121991162	ref	7.24	-14.48	0	288.395	2.094	0	4	5	CN(C(=O)CCC1CC1)[C@H]1CCCN(c2cccnn2)C1
365623449	ZINC000121894139	ref	6.41	-5.07	0	276.384	2.302	1	5	4	C[C@@H]1CN(c2cc(NCC3CC3)ncn2)CC(C)(C)O1
178293067	ZINC000082786649	mid	4.6	-34.53	1	282.141	2.313	2	2	2	COc1ccc(Br)cc1C1=NNC(=[NH2+])CC1
365623478	ZINC000121894139	low	6.88	-33.27	1	276.384	2.302	1	4	4	C[C@@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC(C)(C)O1
342083268	ZINC000625343248	ref	2.6	-10.7	0	289.426	1.455	1	4	4	C[C@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccns2)C1
342083269	ZINC000625342732	ref	9.05	-17.66	0	286.379	1.73	0	4	2	O=C(N1CCC[C@@H](c2nnc3n2CCC3)C1)C12CC(C1)C2
342083270	ZINC000625343743	ref	3.78	-10.59	0	290.335	1.993	0	3	2	C[C@@H]1CN(S(=O)(=O)c2ccccn2)C[C@@H](C)C1(F)F
349533145	ZINC000621479769	ref	8.1	-15.67	0	289.379	3.053	1	3	5	CCOc1ccc(NC(=O)N2CC(CC3CC3)C2)nc1C
214176570	ZINC000293471752	ref	4.51	-38.42	1	374.485	0.914	3	4	7	CO[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)C1CC1
178293055	ZINC000237002764	ref	2.28	-64.7	1	355.504	1.867	3	3	8	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1
214176572	ZINC000293471752	mid	2.12	-7.4	0	374.485	0.914	2	5	7	CO[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCN(C)CC2)c1)C1CC1
214176576	ZINC000293471752	low	4.56	-42.39	1	374.485	0.914	3	4	7	CO[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCN(C)CC2)c1)C1CC1
214176579	ZINC000293472099	ref	3.21	-20.2	0	353.423	0.536	2	6	7	COCC(C)(C)CNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1
214176582	ZINC000293462060	ref	0.55	-12.94	0	374.397	0.298	2	6	4	COc1ncc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@@H]2C2CC2)cc1C(N)=O
214176586	ZINC000293472666	ref	3.55	-13.57	0	366.37	0.827	2	7	6	CC[C@]1(C)Oc2ccc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)cc2O1
214176589	ZINC000293466578	ref	2.01	-17.61	0	354.354	0.726	1	5	4	CC(C)N1CC[C@H](NS(=O)(=O)c2cn(C)nc2C(F)(F)F)C1=O
214176592	ZINC000293466578	mid	2.54	-53.41	-1	354.354	0.726	0	5	4	CC(C)N1CC[C@H]([N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)C1=O
178293058	ZINC000237005784	ref	2.16	-55.86	1	368.503	1.825	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1
214176595	ZINC000293464422	ref	5.83	-20.77	0	373.413	0.959	2	7	6	CC[C@@H]1Oc2cc([C@@H](C)NC(=O)CCn3ncn(C)c3=O)ccc2NC1=O
214176601	ZINC000293472882	ref	2.25	-11.65	0	364.276	0.828	2	6	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)OC
214176605	ZINC000293470409	ref	2.98	-17.19	0	358.402	0.658	3	7	4	CC1(C)CCC[C@@]1(O)CNC(=O)C(=O)Nc1cccc(-n2cnnn2)c1
178293060	ZINC000237004153	ref	4.65	-37.85	1	353.488	1.587	2	3	7	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1
214176608	ZINC000293467276	ref	4.62	-45.59	1	363.414	0.626	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc(C(=O)OC)c1
214176614	ZINC000293467276	mid	4.64	-45.27	1	363.414	0.626	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc(C(=O)OC)c1
214176620	ZINC000293465306	ref	2.92	-47.56	-1	367.427	0.832	2	5	7	Cc1c(NC(=O)C(=O)[N-]OCC2CC2)cccc1S(=O)(=O)NC1CC1
214176626	ZINC000293467045	ref	7.99	-22.19	0	356.386	0.374	2	6	3	Cc1ccc(N2CCC[C@H](NC(=O)C(=O)Nc3ncn(C)n3)C2=O)cc1
178293063	ZINC000237017697	ref	5.56	-51.3	1	358.486	1.013	2	3	7	CCc1ccccc1N1C[C@H](C(=O)NCCCN2CC[NH2+]CC2)CC1=O
178293066	ZINC000237009127	ref	8.85	-59.87	1	351.403	1.83	1	5	8	CC[NH2+]CC1CCN(C(=O)COc2ccc([N+](=O)[O-])c(OC)c2)CC1
282120429	ZINC000288893763	ref	5.05	-11.53	0	280.282	1.741	1	6	3	Cc1nc2n(n1)C[C@@H](Nc1nccnc1C(F)F)CC2
365623413	ZINC000274323347	ref	4.1	-25.08	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c2[nH]ncc2c1
178293070	ZINC000237006733	ref	4.56	-54.6	1	365.499	1.776	3	3	6	CC[C@H](C)NS(=O)(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
178293074	ZINC000237006657	ref	5.07	-50.15	1	352.523	1.009	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1
342598688	ZINC000590818598	ref	6.66	-8.4	0	295.339	1.683	2	5	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(C(C)C)on1
365623417	ZINC000274323347	mid	4.17	-32.65	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@H](C)C[S@@](C)=O)c2n[nH]cc2c1
299072400	ZINC000459278337	ref	7.34	-13.41	0	323.824	2.663	1	2	3	CCN1CCN(C(=O)N[C@H](C)c2ccc(Cl)cc2)[C@H](C)C1=O
178293077	ZINC000237006657	high	4.73	-14.22	0	352.523	1.009	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1
412491641	ZINC000352585258	ref	-0.39	-12.92	0	307.328	-0.578	2	8	7	COCC[C@H](NS(=O)(=O)c1c(N)noc1C)C(=O)OC
178293079	ZINC000237003619	ref	5.46	-50.97	1	374.485	1.499	3	4	7	CCC[C@H](NC(=O)[C@H]1C[NH2+]CCO1)C(=O)Nc1cccc(N2CCCC2)c1
365623425	ZINC000274320788	ref	5.19	-17.12	0	271.386	1.303	0	4	5	CC(C)n1ccc(C(=O)N(C)[C@H](C)C[S@](C)=O)n1
178293081	ZINC000237003619	mid	4.11	-11.62	0	374.485	1.499	3	5	7	CCC[C@H](NC(=O)[C@H]1CNCCO1)C(=O)Nc1cccc(N2CCCC2)c1
365623434	ZINC000274319136	ref	3.63	-9.95	0	276.315	1.318	0	5	4	Fc1cncc(CN2CCO[C@@H](Cn3cccn3)C2)c1
178293083	ZINC000237006689	ref	5.08	-49.72	1	352.523	1.009	1	3	5	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1
342598689	ZINC000590817880	ref	5.29	-39.46	1	299.459	1.335	2	3	10	CCCCNC(=O)CN1CC[NH+](CCCOC(C)C)CC1
282120430	ZINC000376219872	ref	6.9	-9.07	0	298.177	2.715	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1ncc(Cl)cc1Cl)CC2
342598690	ZINC000590817880	mid	3.02	-8.89	0	299.459	1.335	1	4	10	CCCCNC(=O)CN1CCN(CCCOC(C)C)CC1
282120431	ZINC000264000793	ref	7.39	-9.61	0	331.729	3.081	1	5	2	Cc1nc2n(n1)C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)CC2
349533152	ZINC000621482654	ref	10.01	-12.61	0	277.408	3.405	0	2	5	Cc1ccccc1COCC(=O)N(C)[C@@H](C)C(C)(C)C
365623448	ZINC000274323356	ref	4.77	-17.12	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)c2[nH]ncc2c1
214176571	ZINC000337604047	mid	4.2	-38.08	1	274.368	0.649	2	3	2	C[N@H+]1CCC[C@@H]1C(=O)N1CCN[C@H](c2cccnc2)C1
398246721	ZINC000650864661	ref	5.09	-12.8	0	284.31	1.605	1	4	5	CC[C@@H](NC(=O)[C@H]1CCCN1c1ncccn1)C(F)F
168365322	ZINC000368505331	mid	3.75	-10.96	0	347.436	3.427	2	4	4	CC(C)c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)cc1
214176573	ZINC000337604047	low	5.22	-108.88	2	274.368	0.649	2	2	2	C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1
214176575	ZINC000337604047	low	5.45	-102.02	2	274.368	0.649	2	2	2	C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1
178293071	ZINC000052009043	ref	5.78	-12.88	0	247.338	2.792	1	3	1	Cc1cc2c(n1[C@H]1CCCC[C@@H]1O)CCCC2=O
214176577	ZINC000337604047	high	1.5	-9.13	0	274.368	0.649	1	4	2	CN1CCC[C@@H]1C(=O)N1CCN[C@H](c2cccnc2)C1
214176580	ZINC000337605040	ref	-3.22	-13.21	0	282.3	-0.266	4	5	5	NC(=O)c1cc(CNC(=O)NC[C@@H]2CCC[C@@H]2O)on1
214176587	ZINC000337603233	ref	1.35	-9.0	0	292.326	0.985	1	4	5	O=C(CN1CCOCC1)N[C@H]1CCCC[C@@H]1OC(F)F
178293075	ZINC000028002465	ref	4.61	-6.68	0	241.04	2.246	0	3	0	Cc1cc2c(o1)C(=O)C=C(Br)C2=O
178293080	ZINC000049814703	ref	7.27	-4.56	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)C[C@@H](C)C[C@@H]2C
178293084	ZINC000032498097	ref	3.09	-44.6	-1	231.28	2.15	0	4	0	Cc1cc2c(nc1C)sc1c(=O)nc[n-]c12
214176593	ZINC000337602906	ref	3.88	-10.52	0	274.364	2.091	3	2	6	CC(C)[C@H](CO)C(=O)NCCc1cccc2[nH]ccc12
214176599	ZINC000337603180	ref	2.94	-15.17	0	269.326	0.477	1	6	6	CN(CCOCCO)C(=O)c1cn2ccnc2s1
343994463	ZINC000599273090	ref	7.14	-6.6	0	297.395	1.846	0	4	5	COC(=O)[C@H](C)CN(C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C)C1CC1
343994469	ZINC000599271412	ref	7.7	-10.9	0	285.384	1.992	0	4	9	CCC[C@H](OCC)C(=O)N(C[C@H](C)C(=O)OC)C1CC1
214176618	ZINC000337605339	ref	1.98	-44.26	1	269.345	0.434	4	3	7	C[NH+](C)C[C@](C)(O)CNC(=O)NCCc1ccco1
214176622	ZINC000337605339	high	0.04	-10.58	0	269.345	0.434	3	4	7	CN(C)C[C@](C)(O)CNC(=O)NCCc1ccco1
214176625	ZINC000337605694	ref	7.88	-42.14	1	289.423	2.404	3	1	9	O=C(NCCCCCc1ccccc1)NCC[NH+]1CCC1
230234022	ZINC000331078461	ref	-2.7	-16.82	0	293.389	-1.156	1	5	5	COC(C)(C)C(=O)N1CCN(CCS(N)(=O)=O)CC1
178293087	ZINC000032498097	mid	3.53	-25.36	0	231.28	2.15	1	4	0	Cc1cc2c(nc1C)sc1c(=O)nc[nH]c12
398249490	ZINC000390800191	ref	4.87	-39.89	1	237.372	2.33	1	3	3	Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCS[C@H]1C
168365324	ZINC000368506371	ref	9.79	-45.15	1	331.456	3.08	1	3	5	COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21
342598691	ZINC000590818262	ref	7.39	-18.15	0	299.294	1.036	0	8	4	CN(Cc1nnc2n1CCC2)c1ncc([N+](=O)[O-])cc1C#N
365623426	ZINC000576544610	mid	8.9	-38.71	1	233.359	2.852	1	2	3	C=Cn1cc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)cn1
342598692	ZINC000364844129	ref	4.69	-40.95	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO
342598693	ZINC000364844129	mid	4.61	-41.14	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO
342598694	ZINC000364844129	mid	4.95	-46.7	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@@H+]1CCC[C@H]1CN1CCC[C@H]1CO
365623433	ZINC000576544610	high	6.85	-4.99	0	233.359	2.852	0	3	3	C=Cn1cc(CN2C[C@H](C)CC(C)(C)C2)cn1
342598695	ZINC000364844129	mid	4.4	-47.15	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@H+]1CCC[C@H]1CN1CCC[C@H]1CO
342598696	ZINC000590818396	ref	6.53	-30.71	1	284.444	1.988	1	3	7	CC(C)OCCC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1
365623439	ZINC000576541930	ref	4.72	-9.77	0	248.326	2.332	2	2	3	C[C@H]1CC[C@H]1NC(=O)N(C)Cc1cccc(O)c1
342598697	ZINC000590818396	mid	6.27	-32.58	1	284.444	1.988	1	3	7	CC(C)OCCC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1
365623443	ZINC000576546136	ref	-1.64	-10.77	0	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1
365623451	ZINC000576546136	mid	0.6	-45.31	1	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@H+]1CC[C@H](CO)[C@@H](O)C1
365623454	ZINC000576546136	high	-1.64	-10.77	0	244.335	-0.47	2	4	5	CCN(C)C(=O)CCN1CC[C@H](CO)[C@@H](O)C1
365623461	ZINC000576541932	ref	4.58	-9.91	0	248.326	2.332	2	2	3	C[C@@H]1CC[C@H]1NC(=O)N(C)Cc1cccc(O)c1
365623467	ZINC000576542633	ref	1.99	-6.07	0	240.332	0.704	0	5	2	CC[C@H]1CN(C)CCN1C(=O)c1csnn1
365623470	ZINC000576542633	mid	3.86	-39.87	1	240.332	0.704	1	4	2	CC[C@H]1C[N@H+](C)CCN1C(=O)c1csnn1
124847230	ZINC000054188469	ref	7.45	-46.64	0	254.305	2.278	2	3	7	CC[NH+](CC)CCNc1c(F)cccc1C(=O)[O-]
365623475	ZINC000576542633	mid	4.36	-39.18	1	240.332	0.704	1	4	2	CC[C@H]1C[N@@H+](C)CCN1C(=O)c1csnn1
282120432	ZINC000329471106	ref	6.97	-40.86	1	318.425	0.841	2	4	1	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CC2
342598698	ZINC000590818396	mid	6.3	-31.35	1	284.444	1.988	1	3	7	CC(C)OCCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1
282120433	ZINC000329471106	mid	7.11	-47.33	1	318.425	0.841	2	4	1	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)CC2
365623482	ZINC000576549928	ref	5.29	-17.89	0	235.287	0.831	0	3	3	CC(=O)N(C)CC(=O)N(C)c1cccc(C)n1
365623490	ZINC000576547182	ref	8.26	-39.07	1	218.344	2.868	1	1	3	Cc1cnccc1C[N@H+]1CC[C@H](C(C)C)C1
342083271	ZINC000625343220	ref	2.54	-12.14	0	298.389	1.939	1	5	5	COc1ccc(S(=O)(=O)NCc2ccns2)c(C)c1
342083272	ZINC000625342730	ref	9.04	-17.56	0	286.379	1.73	0	4	2	O=C(N1CCC[C@H](c2nnc3n2CCC3)C1)C12CC(C1)C2
342083273	ZINC000625344709	ref	7.76	-42.42	1	268.401	1.744	1	2	7	CCO[C@@H](C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC)C1CC1
282120434	ZINC000329471106	mid	6.98	-40.91	1	318.425	0.841	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3CC[N@@H+](C)C[C@@H]31)CC2
342083274	ZINC000625344709	mid	8.26	-39.65	1	268.401	1.744	1	2	7	CCO[C@@H](C[N@H+]1CCN(CC)C(=O)[C@@H]1CC)C1CC1
342083275	ZINC000625344709	mid	6.56	-6.22	0	268.401	1.744	0	3	7	CCO[C@@H](CN1CCN(CC)C(=O)[C@@H]1CC)C1CC1
342083276	ZINC000625342681	ref	2.05	-12.68	0	289.401	1.212	1	5	8	CCC[C@H](CNS(=O)(=O)c1cn(C)nc1C)OCC
342083277	ZINC000625342648	ref	2.79	-13.55	0	279.402	1.29	1	4	10	CCC[C@H](CNS(=O)(=O)C1(COC)CC1)OCC
342083278	ZINC000625343510	ref	1.64	-8.23	0	278.343	1.241	2	3	4	CC(C)(C)CNC(=O)CN1CCC(O)(C(F)F)CC1
342083279	ZINC000625343510	low	3.8	-41.56	1	278.343	1.241	3	2	4	CC(C)(C)CNC(=O)C[NH+]1CCC(O)(C(F)F)CC1
342083280	ZINC000625343654	ref	6.33	-12.07	0	251.33	1.791	1	4	5	CCO[C@H](C(=O)Nc1c(C)c(C)nn1C)C1CC1
342083281	ZINC000625343749	ref	3.75	-10.94	0	290.335	1.993	0	3	2	C[C@H]1CN(S(=O)(=O)c2ccccn2)C[C@H](C)C1(F)F
342083282	ZINC000625343550	ref	4.1	-36.6	1	271.401	1.667	2	3	6	CC[C@@]1(CO)CCC[N@H+](CCOC2CCOCC2)C1
342083283	ZINC000625343550	mid	4.14	-36.58	1	271.401	1.667	2	3	6	CC[C@@]1(CO)CCC[N@@H+](CCOC2CCOCC2)C1
342083284	ZINC000625343550	high	2.23	-4.37	0	271.401	1.667	1	4	6	CC[C@@]1(CO)CCCN(CCOC2CCOCC2)C1
342083285	ZINC000625343475	ref	4.2	-35.5	1	270.417	1.632	3	2	5	C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC(C)(C)C)C1
398246723	ZINC000394173023	ref	1.46	-9.32	0	212.293	0.917	2	3	6	CC[C@H](C#N)C(=O)NC[C@@H](CO)C(C)C
230234030	ZINC000331054844	ref	-2.92	-23.37	0	283.288	-1.521	1	6	5	COC(=O)CCNC(=O)CN1CCN2C(=O)N=NC2C1
398246725	ZINC000097153188	ref	8.33	-37.67	1	221.348	2.083	1	2	6	C[C@H](C1CC1)[N@H+](C)CCCc1cnn(C)c1
230234034	ZINC000331054844	mid	0.16	-23.51	0	283.288	-1.521	2	7	5	COC(=O)CCNC(=O)CN1CCn2c(n[nH]c2=O)C1
230234040	ZINC000331082801	ref	3.42	-23.29	0	271.317	-1.218	0	5	4	COC(=O)CN1CCN(C(=O)CC(=O)N(C)C)CC1
230236712	ZINC000355039791	ref	-1.11	-18.86	0	287.36	-0.449	3	4	6	C[C@H](CO)[C@@H](C)NC(=O)NCCC(=O)N1CCOCC1
230236729	ZINC000354955914	ref	2.4	-13.42	0	283.372	-0.166	1	4	4	CCC(=O)N1CC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C1
365623428	ZINC000625037397	ref	7.08	-18.83	0	307.438	2.217	1	2	4	CC(C)C[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365623437	ZINC000625036854	ref	7.05	-18.94	0	305.422	2.256	1	2	2	O=C1[C@@H](NC(=O)N2C3CCCC2CCC3)CCN1C1CCC1
343994464	ZINC000079940321	high	5.92	-8.56	0	287.407	2.155	2	2	6	O=C(NC[C@@H]1CCCN1CCc1ccccc1)NC1CC1
343994467	ZINC000079924616	ref	6.69	-13.8	0	266.37	2.336	1	4	4	CC[C@H](C)N(C)C(=O)NCc1cn2ccsc2n1
343994475	ZINC000079935697	ref	6.66	-12.6	0	284.4	2.406	1	3	6	CCC[C@@H]1C[C@H]1C(=O)NCCN(C)C(=O)OC(C)(C)C
365623445	ZINC000625035881	ref	3.41	-15.84	0	322.434	2.047	2	4	5	CC[C@@H](NC(=O)N[C@H]1CCN(C2CCC2)C1=O)c1nccs1
343995027	ZINC000634728532	ref	-0.63	-39.28	1	217.309	0.275	3	3	6	CC(C)OC[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O
342083286	ZINC000625343475	mid	4.36	-35.65	1	270.417	1.632	3	2	5	C[C@@H]1CC[C@@](CO)([N@@H+](C)CC(=O)NCC(C)(C)C)C1
365623452	ZINC000625035467	ref	7.44	-18.26	0	307.438	2.362	1	2	4	CCC[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365623457	ZINC000625034447	ref	5.4	-11.58	0	320.418	2.076	0	5	4	CC[C@H]1C[C@@H](C)CN1S(=O)(=O)c1cnnn1-c1ccccc1
365623466	ZINC000625036756	ref	7.46	-21.49	0	313.401	2.296	1	2	3	O=C1[C@@H](NC(=O)N2CC[C@@H]2c2ccccc2)CCN1C1CCC1
365623472	ZINC000625033521	ref	7.15	-20.67	0	307.438	2.36	1	2	4	CC(C)C[C@@H]1CCCN1C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365623480	ZINC000625036849	ref	5.91	-17.38	0	307.438	2.265	2	2	4	C[C@@H]1CCCC[C@H]1CNC(=O)N[C@H]1CCN(C2CCC2)C1=O
365623489	ZINC000625037850	ref	7.28	-17.91	0	305.422	2.138	1	2	4	CN(C[C@H]1CC=CCC1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365623499	ZINC000625038052	ref	7.17	-18.33	0	305.422	2.114	1	2	3	O=C1[C@@H](NC(=O)N2CCC[C@H]2C2CCC2)CCN1C1CCC1
342083287	ZINC000625343475	high	2.19	-9.47	0	270.417	1.632	2	3	5	C[C@@H]1CC[C@@](CO)(N(C)CC(=O)NCC(C)(C)C)C1
342083288	ZINC000625343599	ref	2.37	-34.93	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@](CO)([N@H+](C)C[C@H](O)CC2(O)CCC2)C1
342083289	ZINC000625343599	mid	2.16	-35.12	1	271.401	1.135	4	3	6	C[C@@H]1CC[C@](CO)([N@@H+](C)C[C@H](O)CC2(O)CCC2)C1
342083290	ZINC000625343209	ref	2.57	-56.2	1	292.383	1.222	1	4	5	CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cncc(OC)n1
342083291	ZINC000625343209	high	1.37	-11.59	0	292.383	1.222	1	5	5	CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cncc(OC)n1
342083292	ZINC000625343476	ref	4.19	-35.48	1	270.417	1.632	3	2	5	C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC(C)(C)C)C1
342083293	ZINC000625343476	mid	4.34	-35.73	1	270.417	1.632	3	2	5	C[C@H]1CC[C@@](CO)([N@@H+](C)CC(=O)NCC(C)(C)C)C1
214176574	ZINC000278473778	ref	8.16	-51.02	1	312.335	2.708	2	1	4	O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1F
365623440	ZINC000623052489	low	7.85	-39.59	1	317.433	1.554	2	2	6	Cc1ccccc1CNC(=O)[C@@H](C)[N@H+](C)CC(=O)N1CCCC1
346818947	ZINC000589953600	ref	7.11	-9.02	0	285.368	3.446	1	3	2	C[C@@H]1C[C@H]1NC(=O)c1cc2c(s1)-c1ccccc1OC2
282120435	ZINC000329471106	mid	7.14	-47.55	1	318.425	0.841	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3CC[N@H+](C)C[C@@H]31)CC2
282120436	ZINC000329471106	high	4.5	-16.38	0	318.425	0.841	1	5	1	Cc1nc2n(n1)C[C@H]([NH+]=C([O-])N1CC[C@@H]3CCN(C)C[C@@H]31)CC2
282120437	ZINC000329471106	high	4.53	-16.51	0	318.425	0.841	1	5	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@@H]3CCN(C)C[C@@H]31)CC2
214176596	ZINC000278474335	ref	6.37	-43.23	1	322.428	1.515	1	3	6	CC[NH+](CC)CC(=O)N1CCN(Cc2ccc(F)nc2C)CC1
343994470	ZINC000139362310	ref	5.3	-5.32	0	154.184	2.397	0	1	2	CCc1ccc(OC)c(F)c1
214176600	ZINC000278474335	high	4.33	-12.88	0	322.428	1.515	0	4	6	CCN(CC)CC(=O)N1CCN(Cc2ccc(F)nc2C)CC1
342083294	ZINC000625343476	high	2.16	-9.5	0	270.417	1.632	2	3	5	C[C@H]1CC[C@@](CO)(N(C)CC(=O)NCC(C)(C)C)C1
214176609	ZINC000278475840	ref	7.65	-17.47	0	304.35	2.234	2	5	6	COc1ccccc1-c1nc(NC(=O)CC(C)(C)OC)n[nH]1
214176613	ZINC000278475840	mid	7.53	-14.64	0	304.35	2.234	2	5	6	COc1ccccc1-c1n[nH]c(NC(=O)CC(C)(C)OC)n1
214176616	ZINC000278475840	high	7.4	-60.55	-1	304.35	2.234	1	5	6	COc1ccccc1-c1nc(NC(=O)CC(C)(C)OC)n[n-]1
214176619	ZINC000278475376	ref	10.12	-9.29	0	324.808	3.073	0	4	5	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cccc(Cl)n1
214176624	ZINC000278474019	ref	5.1	-49.53	1	305.418	2.072	2	3	6	CCOC1CC(O)(C[NH2+][C@@H]2CCc3ccc(OC)cc3C2)C1
214176630	ZINC000278475938	ref	1.54	-15.56	0	316.325	1.117	2	8	5	Cc1nc(Cn2cc(C(=O)Nc3cc(C(C)C)[nH]n3)nn2)no1
214176636	ZINC000278475400	ref	9.72	-44.04	1	317.441	1.504	2	6	3	Cn1ncc2c(N)nc(N3CC[NH+](CCC(C)(C)C)CC3)nc21
214176639	ZINC000278475400	high	7.52	-9.39	0	317.441	1.504	1	7	3	Cn1ncc2c(N)nc(N3CCN(CCC(C)(C)C)CC3)nc21
214176643	ZINC000278474092	ref	9.99	-10.05	0	313.405	2.741	1	4	4	CN(C(=O)NCc1ncnn1-c1ccccc1)C1CCCCC1
342083295	ZINC000625344230	ref	9.32	-45.66	1	293.415	1.152	2	4	5	CC(C)(C)CNC(=O)C[NH+]1CCC(Cn2cncn2)CC1
342083296	ZINC000625344230	mid	7.16	-14.51	0	293.415	1.152	1	5	5	CC(C)(C)CNC(=O)CN1CCC(Cn2cncn2)CC1
346818949	ZINC000611565021	ref	2.3	-9.2	0	294.336	1.762	2	7	5	CN(Cc1nccs1)c1cc(N)c([N+](=O)[O-])c(CO)c1
343994472	ZINC000139351712	ref	2.74	-37.72	1	194.234	0.902	1	3	3	N[C@@H](CN1CCCC1=O)c1ccco1
343994474	ZINC000139351712	mid	2.74	-37.72	1	194.234	0.902	1	2	3	[NH3+][C@@H](CN1CCCC1=O)c1ccco1
346818952	ZINC000611565802	ref	4.36	-12.46	0	277.32	1.855	2	4	4	COC(=O)C1(CNC(=O)c2cccc(O)c2)CCCC1
346818957	ZINC000611565802	high	5.12	-52.23	-1	277.32	1.855	1	4	4	COC(=O)C1(CNC(=O)c2cccc([O-])c2)CCCC1
398246724	ZINC000650861008	ref	5.09	-16.41	0	299.273	1.869	1	4	7	C=CCOCC(=O)NCCc1ccc2c(c1)OC(F)(F)O2
412491643	ZINC000352585258	mid	-0.7	-38.02	-1	307.328	-0.578	1	8	7	COCC[C@H]([N-]S(=O)(=O)c1c(N)noc1C)C(=O)OC
412491645	ZINC000339720716	ref	-0.24	-14.19	0	315.399	-0.361	3	6	5	CC(C)(C)[C@H](NS(C)(=O)=O)C(=O)NCc1cncnc1N
412491647	ZINC000623324020	ref	4.23	-12.45	0	302.338	0.1	1	7	4	COCCn1ccc(C(=O)N2CCc3cnc(N)nc3C2)n1
230234155	ZINC000354800656	ref	2.27	-38.96	1	283.372	-0.26	3	3	5	C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCOC2)CCC1
230234161	ZINC000354800656	high	0.04	-6.31	0	283.372	-0.26	2	4	5	CN(C)C1(CNC(=O)C(=O)NC[C@H]2CCOC2)CCC1
230234170	ZINC000354805745	ref	-0.07	-10.77	0	288.344	-0.863	2	6	6	CCOC(=O)[C@](C)(O)CN1CCO[C@H](CNC(C)=O)C1
230234174	ZINC000354805745	low	2.02	-46.68	1	288.344	-0.863	3	5	6	CCOC(=O)[C@](C)(O)C[N@@H+]1CCO[C@H](CNC(C)=O)C1
230234177	ZINC000354805745	low	1.89	-43.2	1	288.344	-0.863	3	5	6	CCOC(=O)[C@](C)(O)C[N@H+]1CCO[C@H](CNC(C)=O)C1
230234197	ZINC000354800275	ref	-1.22	-17.04	0	272.305	-0.738	3	4	7	COCC[C@@H](C)NC(=O)NCCN1C(=O)CNC1=O
230234200	ZINC000354678031	ref	0.33	-44.93	1	269.345	-0.46	3	3	6	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CCCO1
230234217	ZINC000354785823	ref	0.84	-17.0	0	272.301	-0.665	2	5	6	COC(=O)[C@H](C)CC(=O)NC[C@H]1CC[C@@H](C(N)=O)O1
230234225	ZINC000354801300	ref	2.14	-36.77	1	285.388	-0.184	3	3	6	C[C@H](O)CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCC1
230234233	ZINC000354801300	high	0.62	-5.88	0	285.388	-0.184	2	4	6	C[C@H](O)CCN(C)C(=O)C(=O)NCC1(N(C)C)CCC1
230234239	ZINC000354677791	ref	1.32	-5.33	0	268.313	-0.33	1	4	1	C[C@@H]1OCC[C@H]1NC(=O)C(=O)N1C[C@@H]2CC[C@H](C1)O2
230234249	ZINC000354801104	ref	2.81	-13.6	0	265.317	-0.385	1	5	2	CCN1CCN(C(=O)c2c(C)nn(C)c2N)CC1=O
230234273	ZINC000354818472	ref	-0.53	-17.23	0	283.675	-0.06	2	6	5	NC(=O)c1cc(CNC(=O)Cn2cc(Cl)cn2)on1
230234282	ZINC000354800522	ref	2.34	-18.27	0	273.3	-0.121	1	7	4	CCNC(=O)c1ccc(N2CC(n3ccnn3)C2)nn1
365623446	ZINC000354683245	ref	3.85	-17.65	0	283.397	1.034	1	4	5	CC(C)c1nccn1CCC(=O)N[C@@H]1CC[S@](=O)C1
178293086	ZINC000237006689	high	4.73	-13.74	0	352.523	1.009	1	4	5	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1
365623473	ZINC000354683245	mid	4.32	-40.52	1	283.397	1.034	1	3	5	CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[S@](=O)C1
365623483	ZINC000354683063	ref	9.24	-24.53	0	262.313	1.729	1	5	5	CC[C@@H](C)[C@H](OC)C(=O)Nc1nnc2ccccn12
365623495	ZINC000354683726	ref	6.16	-14.92	0	258.387	1.207	0	3	5	CSCC[C@H](C)N(C)C(=O)[C@H]1CCC(=O)N1C
299072402	ZINC000358088481	ref	4.89	-31.32	1	318.469	1.417	2	5	6	CCN1C[C@H](C)[C@@H]([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)C1
299072404	ZINC000358088481	low	5.36	-90.41	2	318.469	1.417	2	4	6	CCN1C[C@H](C)[C@@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1
282120438	ZINC000330259173	ref	7.07	-49.86	1	289.383	1.485	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CC1)CC2
178293092	ZINC000237013570	ref	3.88	-15.93	0	351.476	1.696	1	6	8	CCN(CC)S(=O)(=O)c1ccc([C@H](C)NCc2cnnn2C)cc1
365623512	ZINC000639790586	ref	7.05	-47.46	1	284.363	1.507	1	3	3	CN(C)C(=O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365623522	ZINC000639790586	mid	7.04	-51.07	1	284.363	1.507	1	3	3	CN(C)C(=O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365623527	ZINC000639790586	mid	4.64	-17.04	0	284.363	1.507	0	4	3	CN(C)C(=O)CN1CC[C@H](c2ccc3cccnc3n2)C1
365623534	ZINC000354681762	ref	4.6	-45.12	1	297.443	1.576	3	2	9	CC(C)CCC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
178293095	ZINC000237013570	mid	5.01	-67.36	1	351.476	1.696	1	5	8	CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cnnn2C)cc1
365623546	ZINC000354681650	ref	3.84	-10.15	0	285.369	1.477	1	6	6	COC(=O)[C@@H](C)CC(=O)NCc1nnc(C(C)C)s1
365623559	ZINC000354683864	ref	2.24	-15.03	0	288.351	1.609	3	4	5	CC(C)[C@@](C)(O)CNC(=O)c1c[nH]nc1-c1ccccn1
365623572	ZINC000354683864	mid	1.89	-11.81	0	288.351	1.609	3	4	5	CC(C)[C@@](C)(O)CNC(=O)c1cn[nH]c1-c1ccccn1
365623581	ZINC000354683864	high	1.74	-45.23	-1	288.351	1.609	2	4	5	CC(C)[C@@](C)(O)CNC(=O)c1c[n-]nc1-c1ccccn1
178293099	ZINC000237010277	ref	7.07	-58.93	1	354.476	1.503	2	5	8	CC[NH2+]CC1CCN(C(=O)CSCC(=O)Nc2cc(C)on2)CC1
365623589	ZINC000367179038	ref	6.18	-10.88	0	295.31	1.56	0	4	5	CCOC(=O)C1(F)CN(C(=O)c2ccc(COC)cc2)C1
365623600	ZINC000639790583	ref	6.98	-45.83	1	284.363	1.507	1	3	3	CN(C)C(=O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
210256256	ZINC000428370891	ref	4.05	-19.97	0	340.376	0.907	1	6	4	COC(=O)C1(NCc2cccc(F)c2C#N)CCS(=O)(=O)CC1
365623447	ZINC000623052489	low	7.82	-42.36	1	317.433	1.554	2	2	6	Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+](C)CC(=O)N1CCCC1
342598699	ZINC000590818396	mid	6.53	-30.71	1	284.444	1.988	1	3	7	CC(C)OCCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1
365623455	ZINC000623051697	ref	0.17	-10.21	0	323.374	1.232	1	5	4	COc1nccc2c(NS(=O)(=O)N3CCOCC3)cccc12
365623464	ZINC000623051959	ref	3.37	-13.19	0	313.354	1.404	1	4	1	O=C(Nc1ccc(F)cn1)N1CCS(=O)(=O)[C@H]2CCC[C@@H]21
365623476	ZINC000623051764	ref	0.58	-55.32	1	304.437	1.597	1	5	5	COc1ncc(C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1
365623481	ZINC000623051764	mid	-0.62	-14.94	0	304.437	1.597	1	6	5	COc1ncc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)s1
365623491	ZINC000623051763	ref	0.58	-55.0	1	304.437	1.597	1	5	5	COc1ncc(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1
365623500	ZINC000623051763	mid	-0.61	-15.16	0	304.437	1.597	1	6	5	COc1ncc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)s1
365623509	ZINC000623053611	ref	3.97	-51.97	1	311.183	1.29	1	3	2	[NH3+][C@@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1
342598700	ZINC000590817180	ref	7.3	-15.51	0	250.342	1.256	0	2	4	CN(CC(=O)N1CCC[C@@H]1C1CC1)C(=O)C1CC1
365623524	ZINC000623052893	ref	6.2	-54.2	1	324.388	1.231	3	4	3	O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N[C@H]1[C@@H]2C[NH2+]C[C@@H]21
349533158	ZINC000618806727	ref	5.4	-10.1	0	275.348	1.741	1	3	3	COc1ccc2c(c1)CCN(C(=O)[C@@H](O)C1CCC1)C2
290623093	ZINC000423576779	ref	6.15	-39.18	1	307.438	1.235	1	2	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)C2)C1
365623536	ZINC000623053341	ref	2.8	-8.34	0	317.418	1.843	1	6	3	CC(C)c1nnc(C(=O)N2CCNC[C@@H]2c2cccnc2)s1
342598701	ZINC000364844120	ref	4.08	-44.81	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@@H]1C[N@@H+]1CCC[C@H]1CO
365623540	ZINC000623053341	mid	4.12	-51.71	1	317.418	1.843	1	5	3	CC(C)c1nnc(C(=O)N2CC[NH2+]C[C@@H]2c2cccnc2)s1
342598702	ZINC000364844120	mid	4.32	-43.65	1	279.428	1.847	2	3	6	CC(C)(C#N)CCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO
365623551	ZINC000623052488	ref	5.68	-16.47	0	317.433	1.554	1	3	6	Cc1ccccc1CNC(=O)[C@H](C)N(C)CC(=O)N1CCCC1
365623560	ZINC000623052488	low	7.85	-42.12	1	317.433	1.554	2	2	6	Cc1ccccc1CNC(=O)[C@H](C)[N@H+](C)CC(=O)N1CCCC1
342598703	ZINC000364844120	mid	3.97	-46.91	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1CN1CCC[C@H]1CO
398246726	ZINC000097153188	mid	8.34	-37.6	1	221.348	2.083	1	2	6	C[C@H](C1CC1)[N@@H+](C)CCCc1cnn(C)c1
178293097	ZINC000061684195	ref	6.1	-9.38	0	246.31	2.78	1	4	1	Cc1cc2c(n1-c1ccon1)CC(C)(C)C[C@H]2O
214176585	ZINC000053299948	ref	6.83	-20.46	0	327.359	3.156	1	3	3	CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@H]2c2ccncc2)c1
178293105	ZINC000012322494	ref	6.32	-31.09	0	247.348	3.145	1	4	0	Cc1cc2c(nc1C)sc1c(=S)nc[nH]c12
214176590	ZINC000053301477	ref	7.45	-11.31	0	338.329	3.379	2	2	2	O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(=O)c2ccccc2[nH]1
214176594	ZINC000053301477	high	7.1	-41.29	-1	338.329	3.379	1	2	2	O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cc(=O)c2ccccc2[n-]1
214176597	ZINC000053314056	ref	9.39	-11.6	0	336.42	2.91	1	6	2	CC(C)(O)C#Cc1ccccc1-n1nnn(-c2ccccc2)c1=S
282120439	ZINC000330259173	mid	6.88	-42.95	1	289.383	1.485	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C1CC1)CC2
398246727	ZINC000097153216	ref	2.73	-6.42	0	222.336	0.6	1	3	4	CN1CC[NH+](CCCc2cnn(C)c2)CC1
282120440	ZINC000330259173	mid	3.86	-14.06	0	289.383	1.485	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@@H]1CCCN1C1CC1)CC2
214176606	ZINC000053314714	ref	10.54	-10.55	0	343.883	4.352	1	2	2	Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccccc3Cl)C2)cc1C
178293121	ZINC000012322494	mid	5.88	-44.53	-1	247.348	3.145	0	4	0	Cc1cc2c(nc1C)sc1c(=S)nc[n-]c12
365623453	ZINC000274323356	mid	4.85	-23.87	0	293.392	1.71	1	3	4	Cc1cc(C(=O)N(C)[C@H](C)C[S@](C)=O)c2n[nH]cc2c1
214176611	ZINC000053318795	ref	6.83	-22.38	0	331.199	2.109	1	3	4	CNC(=O)[C@H]1CCCN1C(=O)COc1ccc(Cl)cc1Cl
178293125	ZINC000013483363	ref	3.62	-8.78	0	219.269	1.785	1	4	0	Cc1cc2c(s1)c1cn[nH]c(=O)c1n2C
178293132	ZINC000061148228	ref	5.0	-40.79	1	234.343	2.169	1	2	2	Cc1cc2c(n1C[C@H]1CCOC1)CCC[C@H]2[NH3+]
178293136	ZINC000001388498	ref	6.26	-7.75	0	203.289	2.816	1	3	1	Cc1cc2c(ncn2C(C)C)c(N)c1C
365623460	ZINC000274319703	ref	3.16	-27.61	0	292.36	1.78	1	4	4	CCc1cc(NC(=O)CS(C)(=O)=O)c2ccccc2n1
178293145	ZINC000001388498	mid	6.75	-28.66	1	203.289	2.816	1	2	1	Cc1cc2c([nH+]cn2C(C)C)c(N)c1C
398246729	ZINC000097153216	mid	5.09	-37.56	1	222.336	0.6	1	3	4	Cn1cc(CCCN2CC[NH+](C)CC2)cn1
178293152	ZINC000085399181	ref	3.52	-5.66	0	220.19	2.746	1	2	0	Cc1cc2c(o1)C[C@@H](C(F)(F)F)C[C@H]2O
349533159	ZINC000621480270	ref	8.08	-7.93	0	283.803	3.207	0	3	3	CCn1ncc(Cl)c1C(=O)N(C)[C@@H]1CCCC[C@H]1C
365623469	ZINC000336543368	ref	3.73	-12.88	0	278.352	2.382	2	3	3	CC[C@]1(O)CCN(C(=O)Nc2c(C)cccc2OC)C1
299072405	ZINC000358088481	low	7.93	-179.61	3	318.469	1.417	3	3	6	CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1
190492231	ZINC000269411801	ref	3.37	-7.18	0	264.369	2.342	2	3	6	CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(C(C)C)nc1
299072406	ZINC000358088481	low	7.83	-177.45	3	318.469	1.417	3	3	6	CC[N@H+]1C[C@H](C)[C@@H]([NH2+]C[C@H]2CCCN2c2cc(NC)[nH+]cn2)C1
299072407	ZINC000358088929	ref	5.12	-21.05	0	316.317	1.612	2	4	6	CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H](CC(N)=O)c1ccccc1
349533164	ZINC000618810441	ref	5.35	-10.38	0	286.331	1.609	0	5	3	COC(=O)[C@@H]1CN(Cc2ccc3cnccc3c2)CCO1
349533171	ZINC000618810441	low	7.81	-53.67	1	286.331	1.609	1	4	3	COC(=O)[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CCO1
299072408	ZINC000358087220	ref	6.58	-46.4	1	313.442	1.331	2	3	9	COCCCN(CCOC)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1
365623479	ZINC000336543181	ref	3.54	-17.09	0	268.357	2.108	1	3	3	CC1(C)CC[C@H](C(=O)N2CCC[C@H](CC(N)=O)C2)O1
136228597	ZINC000283258480	ref	3.59	-18.78	0	208.261	0.135	1	2	2	CC#CC(=O)N[C@H]1CCN(C(C)C)C1=O
342598704	ZINC000364844120	mid	4.79	-41.06	1	279.428	1.847	2	3	6	CC(C)(C#N)CC[N@H+]1CCC[C@@H]1CN1CCC[C@H]1CO
342598705	ZINC000590817076	ref	2.73	-11.56	0	295.339	1.344	3	4	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1C[C@H](C)C[C@@H](O)C1
342598706	ZINC000590817485	ref	6.03	-12.61	0	290.323	1.796	2	5	4	CC(C)OC(=O)[C@H](C)NC(=O)Nc1ccc2nccn2c1
342598707	ZINC000590817485	low	6.52	-32.98	1	290.323	1.796	2	4	4	CC(C)OC(=O)[C@H](C)NC(=O)Nc1ccc2[nH+]ccn2c1
342598708	ZINC000616985805	ref	5.62	-8.61	0	270.373	1.272	0	3	6	CC[C@H](C)N(CC)C(=O)CCC(=O)N1CCOCC1
197597752	ZINC000290110334	ref	2.82	-6.22	0	290.388	2.808	2	5	4	C[C@H](O)c1ncc(CN[C@H]2c3ccccc3O[C@H]2C)s1
299072410	ZINC000358087220	mid	6.51	-46.47	1	313.442	1.331	2	3	9	COCCCN(CCOC)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1
168365323	ZINC000336750508	ref	4.91	-34.64	1	213.365	2.563	2	1	7	CCC(CC)C[NH2+][C@H](CO)C1CCCC1
197597753	ZINC000290110334	mid	3.64	-43.29	1	290.388	2.808	2	4	4	C[C@H](O)c1ncc(C[NH2+][C@H]2c3ccccc3O[C@H]2C)s1
342598709	ZINC000194610714	ref	2.13	-13.86	0	268.28	1.675	3	4	3	O=C(NCc1nc2cccnc2[nH]1)Nc1ccncc1
190492235	ZINC000269408977	ref	3.71	-10.19	0	277.364	2.218	2	3	4	COc1ccc([C@H](C)C(=O)N[C@H]2CCCC[C@H]2O)cc1
365623486	ZINC000336543014	ref	6.7	-10.66	0	292.379	2.391	1	3	3	O=C(CN1C(=O)NC2(CCCC2)C1=O)C1CCCCCC1
214176617	ZINC000053305585	ref	6.01	-19.57	0	343.427	1.38	1	3	3	Cc1cccc(N2C[C@H](C(=O)N3CCC[C@H](C(N)=O)C3)CC2=O)c1C
178293102	ZINC000237004766	ref	3.12	-10.62	0	359.348	1.524	2	4	5	CCN(Cc1cccc(NC(=O)[C@H]2COCCN2)c1)C(=O)C(F)(F)F
178293103	ZINC000237004766	low	4.52	-41.58	1	359.348	1.524	2	3	5	CCN(Cc1cccc(NC(=O)[C@H]2COCC[NH2+]2)c1)C(=O)C(F)(F)F
178293106	ZINC000237006852	ref	4.26	-49.25	1	352.523	1.199	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1
178293108	ZINC000237006852	high	3.95	-12.08	0	352.523	1.199	2	4	6	CC[C@H](C)[C@H](N)C(=O)N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1
178293109	ZINC000237015029	ref	6.33	-50.4	1	373.501	1.015	2	5	9	CCCn1c(=O)n(CCC(=O)NCCCN2CC[NH2+]CC2)c2ccccc21
178293124	ZINC000237013022	ref	4.32	-48.75	1	353.488	1.349	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1
178293128	ZINC000237013022	high	4.0	-13.39	0	353.488	1.349	1	4	6	CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@H](N)c2ccccc2)CC1
178293130	ZINC000237005524	ref	2.15	-55.16	1	368.503	1.825	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1
365623471	ZINC000274319744	ref	3.98	-10.89	0	276.34	1.502	2	4	5	O=C(CC1CCCCC1)NCC(=O)Nc1cncnc1
365623484	ZINC000274323524	ref	5.58	-15.9	0	286.335	1.417	1	5	3	O=C(N[C@@H]1CCO[C@@H](C2CC2)C1)c1nccn2ccnc12
365623496	ZINC000637717538	ref	4.34	-12.22	0	287.323	1.1	1	5	4	CN(Cc1ccco1)C(=O)NC1CN(c2ccncn2)C1
178293137	ZINC000237005749	ref	2.41	-53.12	1	354.476	1.307	3	4	7	CCN(CC)S(=O)(=O)c1ccc(NC)c(NC(=O)[C@H]2CC[NH2+]C2)c1
365623505	ZINC000274323496	ref	4.17	-11.61	0	284.319	1.6	2	4	2	O=C(Nc1cncnc1)N1CCc2ccccc2[C@@H]1CO
365623511	ZINC000274319473	ref	6.67	-9.91	0	262.309	1.383	0	4	5	CCN(Cc1ccncc1)C(=O)C1(C(=O)OC)CC1
178293139	ZINC000237004439	ref	4.16	-57.02	1	356.304	1.965	2	5	5	CCOC(=O)c1cnn(-c2ccc(NC(=O)C[NH3+])cc2)c1C(F)(F)F
178293140	ZINC000237004439	mid	3.76	-13.22	0	356.304	1.965	2	6	5	CCOC(=O)c1cnn(-c2ccc(NC(=O)CN)cc2)c1C(F)(F)F
178293143	ZINC000237015698	ref	3.67	-64.58	1	353.488	1.717	2	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2CCC([NH3+])CC2)c1
178293147	ZINC000237015306	ref	5.86	-39.22	1	353.488	1.541	1	3	7	CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2C[NH2+]C)c1
349533165	ZINC000621482843	ref	6.15	-8.63	0	262.344	3.012	2	1	6	CC(C)C(NC(=O)NCC[C@@H]1CC1(F)F)C(C)C
342598710	ZINC000590818855	ref	7.05	-97.73	2	294.443	1.296	3	3	7	CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1
342598711	ZINC000590818855	mid	7.03	-99.29	2	294.443	1.296	3	3	7	CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1
214176621	ZINC000053304474	ref	8.44	-43.41	1	335.517	3.046	2	3	6	C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)CSc2ccncc2)C1
214176623	ZINC000053315753	ref	10.93	-23.84	0	341.44	3.053	1	6	7	Cc1ccccc1Cc1cnc(NC(=O)CCCn2cncn2)s1
342598712	ZINC000590818441	ref	6.38	-31.47	1	284.444	1.99	1	3	8	COCCCCC[N@@H+]1CCCN(C[C@@H]2CCCO2)CC1
365623485	ZINC000172821672	ref	3.97	-10.17	0	273.34	1.404	0	6	3	Cc1nccc(N2CCN(Cc3cc(C)on3)CC2)n1
210256120	ZINC000004712635	ref	6.9	-10.5	0	332.469	3.43	2	3	3	C[C@@H]1CCC[C@H](NC(=O)C[C@H]2Sc3ccccc3NC2=O)[C@@H]1C
342598713	ZINC000590818441	mid	6.11	-33.36	1	284.444	1.99	1	3	8	COCCCCC[N@H+]1CCCN(C[C@@H]2CCCO2)CC1
214176628	ZINC000053315167	ref	8.17	-10.05	0	331.466	3.936	1	4	5	C[C@@H](c1cccs1)N(C)C(=O)CSc1nc2ccccc2[nH]1
398246728	ZINC000650863079	ref	3.73	-11.21	0	274.336	1.183	1	3	5	O=C(NCCOC[C@@H]1CCOC1)N1CCC[C@H](F)C1
342598714	ZINC000590818441	mid	6.15	-31.45	1	284.444	1.99	1	3	8	COCCCCCN1CCC[N@H+](C[C@@H]2CCCO2)CC1
214176635	ZINC000053310932	ref	5.04	-17.57	0	330.306	1.965	1	3	4	NC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1
365623493	ZINC000172821672	low	4.42	-36.96	1	273.34	1.404	0	5	3	Cc1nc(N2CCN(Cc3cc(C)on3)CC2)cc[nH+]1
214176640	ZINC000053320219	ref	8.13	-11.87	0	346.427	1.728	2	4	6	COC(=O)C1(NC(=O)CNC(=O)Cc2ccccc2)CCCCCC1
342598715	ZINC000590818441	mid	6.38	-31.47	1	284.444	1.99	1	3	8	COCCCCCN1CCC[N@@H+](C[C@@H]2CCCO2)CC1
342598716	ZINC000590817154	ref	5.81	-23.48	0	263.297	1.22	1	4	7	COCCN(CCC#N)C(=O)c1cc(C(C)=O)c[nH]1
210256133	ZINC000004714474	ref	6.6	-15.06	0	339.416	4.073	0	4	4	COc1ccc(OC)c(/C=C2\SC(c3ccc(C)cc3)=NC2=O)c1
214176645	ZINC000053310776	ref	6.49	-17.83	0	332.448	2.617	3	3	6	CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2)c(C)c1
342598717	ZINC000590818253	ref	8.74	-14.13	0	274.284	1.164	0	7	4	CN(Cc1nnc2n1CCC2)c1ccc([N+](=O)[O-])cn1
342598718	ZINC000590817879	ref	4.85	-8.77	0	254.374	1.356	0	3	6	CC(C)OCCCN1CCN(C(=O)C2CC2)CC1
342598719	ZINC000590817879	mid	7.22	-44.82	1	254.374	1.356	1	2	6	CC(C)OCCC[NH+]1CCN(C(=O)C2CC2)CC1
197597759	ZINC000290109829	ref	4.24	-11.67	0	258.321	2.175	3	2	4	Cc1cc[nH]c1C(=O)N[C@@H](C)[C@@H](O)c1ccccc1
365623487	ZINC000121894139	low	6.87	-29.57	1	276.384	2.302	1	4	4	C[C@@H]1CN(c2cc(NCC3CC3)nc[nH+]2)CC(C)(C)O1
365623498	ZINC000121878976	ref	6.89	-14.75	0	274.364	2.179	0	3	1	C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(=O)n1C
365623517	ZINC000121861162	ref	6.17	-45.44	1	270.417	2.167	1	2	8	CCO[C@H]1C[C@@H](N(C)C(=O)CCC[NH3+])C1(CC)CC
365623542	ZINC000121983306	ref	6.61	-13.21	0	292.354	2.042	0	3	2	C[C@@H]1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)O1
365623563	ZINC000121915719	ref	8.07	-12.16	0	285.347	2.34	1	4	2	N#Cc1cc2c(nc1NC(=O)[C@H]1CCCCO1)CCCC2
197597763	ZINC000290110339	ref	8.71	-11.83	0	282.343	2.913	1	3	5	O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1conc1C1CC1
342083297	ZINC000608893578	ref	4.0	-15.15	0	277.353	1.752	2	5	5	CSCCNC(=O)Nc1ccc(-n2ccnn2)cc1
214176629	ZINC000293468801	ref	7.38	-54.4	1	360.462	0.653	2	4	2	Cn1ccc(N2CCC[C@@H](NC(=O)N3CC[C@]4(CC[N@H+](C)C4)C3)C2=O)n1
299072409	ZINC000459276305	ref	8.14	-12.81	0	305.422	2.674	1	3	7	COCCN(Cc1cccnc1)C(=O)N[C@@H]1C[C@]1(C)C(C)C
197597779	ZINC000290108355	ref	5.37	-12.23	0	277.32	1.442	1	4	5	CO[C@H](C)CNC(=O)[C@@H]1C[C@H](c2ccccc2)OC1=O
342083298	ZINC000625343988	ref	6.05	-12.09	0	271.267	1.283	0	4	4	O=C(c1cn2c(n1)COCC2)N(CC(F)F)C1CC1
342083299	ZINC000625342967	ref	4.53	-7.45	0	284.372	1.796	0	2	4	CCN(CC)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342083300	ZINC000625343548	ref	4.12	-36.79	1	271.401	1.667	2	3	6	CC[C@]1(CO)CCC[N@H+](CCOC2CCOCC2)C1
342083301	ZINC000625343548	mid	3.98	-36.29	1	271.401	1.667	2	3	6	CC[C@]1(CO)CCC[N@@H+](CCOC2CCOCC2)C1
342083302	ZINC000625343548	high	2.2	-5.07	0	271.401	1.667	1	4	6	CC[C@]1(CO)CCCN(CCOC2CCOCC2)C1
342083303	ZINC000625342737	ref	1.72	-10.46	0	267.391	1.146	1	4	10	CCC[C@@H](CNS(=O)(=O)C[C@@H](C)OC)OCC
342083304	ZINC000625343759	ref	3.19	-9.91	0	268.329	1.16	0	2	2	C[C@@H]1CN(S(=O)(=O)N2CCC2)C[C@@H](C)C1(F)F
342083305	ZINC000625343950	ref	3.28	-11.93	0	290.335	1.608	1	2	3	CNS(=O)(=O)N1CCC[C@H](c2ccc(F)c(F)c2)C1
342083306	ZINC000625343649	ref	6.51	-12.15	0	251.33	1.791	1	4	5	CCO[C@@H](C(=O)Nc1c(C)c(C)nn1C)C1CC1
342083307	ZINC000625343250	ref	2.86	-11.88	0	289.426	1.455	1	4	4	C[C@H]1C[C@H](C)CN(S(=O)(=O)NCc2ccns2)C1
342083308	ZINC000625342970	ref	4.81	-7.3	0	284.372	1.796	0	2	4	CCN(CC)S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342083309	ZINC000625343249	ref	2.6	-10.62	0	289.426	1.455	1	4	4	C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccns2)C1
365623494	ZINC000336543424	ref	6.32	-11.17	0	254.374	2.197	0	2	3	CCN(CC)C(=O)N1CCC[C@H]([C@H]2CCOC2)C1
365623501	ZINC000336543182	ref	3.63	-16.59	0	268.357	2.108	1	3	3	CC1(C)CC[C@@H](C(=O)N2CCC[C@H](CC(N)=O)C2)O1
365623508	ZINC000336543082	ref	6.85	-32.02	1	296.455	2.403	2	2	3	C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@](C)(O)CC1
342083310	ZINC000608893334	ref	4.4	-13.62	0	268.386	1.382	2	4	5	CSCCNC(=O)NCc1cn2c(n1)CCCC2
342083311	ZINC000608893334	low	4.83	-35.68	1	268.386	1.382	2	3	5	CSCCNC(=O)NCc1cn2c([nH+]1)CCCC2
343994473	ZINC000248522608	ref	5.61	-15.61	0	266.385	1.938	1	2	2	CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1
365623513	ZINC000336543082	mid	7.04	-32.46	1	296.455	2.403	2	2	3	C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@](C)(O)CC1
365623518	ZINC000336543082	high	5.0	-7.2	0	296.455	2.403	1	3	3	C[C@@H](C(=O)N(C)C1CCCCC1)N1CCC[C@](C)(O)CC1
365623528	ZINC000336543184	ref	3.6	-16.22	0	268.357	2.108	1	3	3	CC1(C)CC[C@H](C(=O)N2CCC[C@@H](CC(N)=O)C2)O1
365623535	ZINC000336543262	ref	4.95	-43.04	1	283.169	2.312	2	1	3	CCc1cc(Br)ccc1NC(=O)[C@H]1CC[NH2+]1
342083312	ZINC000625343242	ref	2.3	-42.72	-1	287.381	1.876	1	4	8	CCC[C@H](CNS(=O)(=O)c1ccccc1[O-])OCC
365623541	ZINC000336543262	high	3.25	-6.41	0	283.169	2.312	2	2	3	CCc1cc(Br)ccc1NC(=O)[C@H]1CCN1
365623550	ZINC000336543246	ref	5.46	-14.44	0	286.331	2.099	1	3	3	O=C(Nc1cccc(N2CCCC2=O)c1)C1=CCOCC1
365623558	ZINC000336543268	ref	6.35	-9.34	0	254.374	2.386	1	2	2	CO[C@]1(C)CCCN(C(=O)N[C@@H]2CC2(C)C)CC1
365623568	ZINC000336543403	ref	5.0	-7.82	0	253.371	2.355	0	4	1	Cc1nnsc1C(=O)N1CC[C@@H](C(C)(C)C)C1
365623577	ZINC000336543410	ref	5.45	-12.2	0	289.31	2.375	1	4	3	C[C@H]1C[C@H](C(=O)Nc2ccc(-n3cccn3)c(F)c2)CO1
365623587	ZINC000336542700	ref	3.23	-6.54	0	250.342	2.291	0	4	3	Cc1nc(CN2C[C@H](C)O[C@H](C3CC3)C2)oc1C
365623594	ZINC000336542700	low	4.83	-36.19	1	250.342	2.291	1	3	3	Cc1nc(C[N@H+]2C[C@H](C)O[C@H](C3CC3)C2)oc1C
365623601	ZINC000336542700	low	5.54	-37.29	1	250.342	2.291	1	3	3	Cc1nc(C[N@@H+]2C[C@H](C)O[C@H](C3CC3)C2)oc1C
342083313	ZINC000625343242	mid	1.43	-9.86	0	287.381	1.876	2	4	8	CCC[C@H](CNS(=O)(=O)c1ccccc1O)OCC
365623608	ZINC000336542991	ref	9.58	-48.91	1	272.392	2.098	1	1	3	CCc1ccc(CC(=O)N2CC[NH+]3CCC2CC3)cc1
365623614	ZINC000336542991	high	7.79	-9.49	0	272.392	2.098	0	2	3	CCc1ccc(CC(=O)N2CCN3CCC2CC3)cc1
365623623	ZINC000336543213	ref	7.65	-47.47	1	274.364	2.006	1	2	3	CCOc1ccccc1C(=O)N1CC[NH+]2CCC1CC2
342083314	ZINC000625343739	ref	3.77	-11.05	0	290.335	1.993	0	3	2	C[C@H]1CN(S(=O)(=O)c2ccccn2)C[C@@H](C)C1(F)F
214176631	ZINC000337605694	mid	4.69	-10.36	0	289.423	2.404	2	2	9	O=C(NCCCCCc1ccccc1)NCCN1CCC1
290623091	ZINC000492527812	ref	6.15	-12.35	0	290.319	2.151	1	4	6	O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[C@H]1CCOC1
290623094	ZINC000492526169	ref	5.82	-8.38	0	274.364	2.333	1	3	4	CO[C@@H]1C[C@@H](NC(=O)/C=C/c2ccc(C)cn2)C1(C)C
214176641	ZINC000337604492	ref	2.76	-13.18	0	285.315	0.844	1	4	8	COc1ccc(CC(=O)N(C)CCOCCO)c(F)c1
214176649	ZINC000337605024	ref	3.64	-10.27	0	294.317	2.443	2	2	3	O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@H]1CCOC1
214176654	ZINC000337604887	ref	7.74	-13.53	0	285.338	2.294	1	3	5	Cn1cncc1CCC(=O)NCC1CCC(F)(F)CC1
214176658	ZINC000337604887	low	8.25	-41.21	1	285.338	2.294	1	2	5	Cn1c[nH+]cc1CCC(=O)NCC1CCC(F)(F)CC1
214176661	ZINC000337603101	ref	2.43	-20.99	0	293.342	0.954	2	3	5	NC(=O)CCCC(=O)N1CCN[C@@H](c2cccc(F)c2)C1
214176665	ZINC000337603101	low	3.53	-67.06	1	293.342	0.954	2	2	5	NC(=O)CCCC(=O)N1CC[NH2+][C@@H](c2cccc(F)c2)C1
214176670	ZINC000337604674	ref	1.85	-8.28	0	259.346	0.659	1	4	7	CC[C@@H]1OCCC[C@H]1C(=O)N(C)CCOCCO
299072412	ZINC000358087220	high	4.14	-11.09	0	313.442	1.331	1	4	9	COCCCN(CCOC)C(=O)N[C@@H](C)C1=CCN(C)CC1
214176679	ZINC000337602155	ref	1.24	-8.74	0	286.225	0.644	2	3	5	O=C(NCC(F)F)C(=O)N[C@@H]1CCC[C@@H]1OC(F)F
398246730	ZINC000097153216	high	2.73	-6.42	0	222.336	0.6	0	4	4	CN1CCN(CCCc2cnn(C)c2)CC1
342083315	ZINC000625343208	ref	2.87	-57.29	1	292.383	1.222	1	4	5	CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]Cc1cncc(OC)n1
398246732	ZINC000335866890	ref	9.29	-18.39	0	241.298	1.804	0	5	3	Cn1c(Cn2ccc(C#N)c2)nnc1C1CCC1
214176691	ZINC000337602583	ref	6.98	-11.29	0	289.322	3.041	1	2	4	CSCC(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F
214176700	ZINC000337603826	ref	2.15	-9.13	0	282.34	0.95	1	5	8	CC(C)Oc1cccc(C(=O)N(C)CCOCCO)n1
214176707	ZINC000337603832	ref	3.64	-13.67	0	298.387	2.353	1	5	7	CO[C@H](C)c1noc(CN(C)C(=O)N[C@@H](C)CC(C)C)n1
214176709	ZINC000337603870	ref	5.83	-8.18	0	259.4	3.025	1	5	6	CCCC[C@H](C)C(=O)Nc1nc(SC)ns1
349533173	ZINC000621481706	ref	3.71	-15.36	0	286.335	3.189	2	4	5	CC[C@H](C)NC(=O)Nc1ccc(Oc2cccnn2)cc1
214176717	ZINC000337605717	ref	5.21	-7.44	0	282.384	0.925	0	4	7	CC(=O)CCC(=O)N(CC1CC1)C[C@@H]1CN(C)CCO1
214176720	ZINC000337605717	low	7.63	-39.28	1	282.384	0.925	1	3	7	CC(=O)CCC(=O)N(CC1CC1)C[C@@H]1C[N@H+](C)CCO1
168365325	ZINC000368506371	mid	10.02	-45.47	1	331.456	3.08	1	3	5	COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21
342083316	ZINC000625343208	high	1.77	-10.85	0	292.383	1.222	1	5	5	CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cncc(OC)n1
342083317	ZINC000625342740	ref	1.42	-13.26	0	267.391	1.146	1	4	10	CCC[C@H](CNS(=O)(=O)C[C@H](C)OC)OCC
342083318	ZINC000625342734	ref	1.65	-13.42	0	267.391	1.146	1	4	10	CCC[C@H](CNS(=O)(=O)C[C@@H](C)OC)OCC
342083319	ZINC000625342683	ref	2.44	-11.59	0	289.401	1.212	1	5	8	CCC[C@@H](CNS(=O)(=O)c1cn(C)nc1C)OCC
342083320	ZINC000625344298	ref	10.9	-39.51	1	278.4	1.805	1	4	7	CCO[C@@H](C[NH+]1CCC(Cn2cncn2)CC1)C1CC1
342083321	ZINC000625343955	ref	5.99	-11.53	0	266.251	1.599	0	4	4	O=C(c1ccnc2ccnn12)N(CC(F)F)C1CC1
365623497	ZINC000576547182	mid	8.22	-39.41	1	218.344	2.868	1	1	3	Cc1cnccc1C[N@@H+]1CC[C@H](C(C)C)C1
342083322	ZINC000625343258	ref	2.44	-12.67	0	281.418	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@@H](CC)OC)OCC
365623504	ZINC000576550372	ref	7.81	-39.42	1	207.239	2.837	1	0	4	CC/C=C/CC[NH+]1CC(C(F)(F)F)C1
342083323	ZINC000625343210	ref	2.87	-57.04	1	292.383	1.222	1	4	5	CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]Cc1cncc(OC)n1
342083324	ZINC000625343210	high	1.85	-11.09	0	292.383	1.222	1	5	5	CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cncc(OC)n1
342088533	ZINC000609046459	mid	6.86	-46.64	1	289.423	1.961	2	3	9	CCN(C[C@H](C)C#N)C[C@@H](O)C[N@@H+](C)Cc1ccccc1
365623506	ZINC000576550372	mid	4.62	-1.7	0	207.239	2.837	0	1	4	CC/C=C/CCN1CC(C(F)(F)F)C1
365623515	ZINC000576546111	ref	7.56	-8.48	0	249.314	2.862	0	4	2	C[C@H]1CN(c2ccc([N+](=O)[O-])nc2)CC(C)(C)C1
365623523	ZINC000576547080	ref	5.14	-3.1	0	207.292	3.118	1	0	2	Cc1cccc(C[N@@H+]2CCC2(C)C)c1F
342088534	ZINC000609046459	high	3.87	-7.04	0	289.423	1.961	1	4	9	CCN(C[C@H](C)C#N)C[C@@H](O)CN(C)Cc1ccccc1
342088535	ZINC000121507160	ref	-0.52	-4.64	0	295.223	1.545	2	3	3	O[C@@H](CN1CCC([C@H](O)C(F)(F)F)CC1)C(F)(F)F
342088536	ZINC000121507160	mid	1.86	-44.51	1	295.223	1.545	3	2	3	O[C@@H](C[NH+]1CCC([C@H](O)C(F)(F)F)CC1)C(F)(F)F
342088537	ZINC000121528057	ref	5.02	-16.24	0	253.346	1.141	1	4	7	COCCC(C)(C)C(=O)NCCc1cncn1C
342088538	ZINC000121528057	low	5.53	-40.72	1	253.346	1.141	1	3	7	COCCC(C)(C)C(=O)NCCc1c[nH+]cn1C
323004223	ZINC000126712649	mid	7.65	-32.49	1	212.337	1.728	1	1	6	CC[C@@H](C)N(C)C(=O)C[N@@H+](CC)C1CC1
342088539	ZINC000121354708	ref	3.0	-14.16	0	270.358	1.962	2	5	6	CC[C@H](COC)NC(=O)Nc1nnc(C2CC2)s1
365623530	ZINC000576547080	mid	8.43	-29.54	1	207.292	3.118	1	0	2	Cc1cccc(C[N@H+]2CCC2(C)C)c1F
343994478	ZINC000139397003	ref	3.53	-6.73	0	184.283	1.341	1	2	3	CCC(CC)N1C(=O)[C@H](C)N[C@H]1C
365623502	ZINC000172823252	ref	4.44	-14.19	0	261.329	1.814	1	5	3	CCn1nc(C)c(NC(=O)c2cnn(C)c2C)c1C
214176633	ZINC000293468801	mid	7.39	-54.97	1	360.462	0.653	2	4	2	Cn1ccc(N2CCC[C@@H](NC(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)C2=O)n1
214176637	ZINC000293468801	high	4.99	-29.23	0	360.462	0.653	1	5	2	CN1CC[C@]2(CCN(C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)C1
197597766	ZINC000162878245	ref	6.69	-7.2	0	323.462	2.293	0	5	1	Cc1cc(C(=O)N2CCS[C@@H]3COCC[C@@H]32)nn1C(C)(C)C
190492236	ZINC000269410847	ref	6.41	-5.53	0	273.72	2.87	1	5	7	CC(C)OCCCNc1ncc(Cl)cc1[N+](=O)[O-]
342083325	ZINC000625336747	ref	1.62	-9.08	0	292.426	1.935	1	5	8	CCC[C@@H](CNS(=O)(=O)c1cnc(C)s1)OCC
214176648	ZINC000293474799	ref	5.73	-16.08	0	368.397	0.771	1	7	3	O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1
365623510	ZINC000172822375	ref	3.59	-8.28	0	281.352	1.861	1	4	8	COC[C@@H](C)C(=O)NC[C@H](C)Oc1cccc(OC)c1
365623519	ZINC000172826990	ref	5.83	-15.31	0	251.33	1.883	1	4	5	CCO[C@H]1C[C@H]1C(=O)Nc1c(C)nn(CC)c1C
197597780	ZINC000162870758	ref	5.03	-60.65	1	303.358	2.322	2	4	4	Cc1c(O)ccc2c(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc(=O)oc12
136228598	ZINC000283262722	ref	2.69	-9.54	0	221.231	0.999	2	2	3	CC#CC(=O)N[C@H](CO)c1ccc(F)cc1
342083326	ZINC000625336747	high	1.22	-43.92	-1	292.426	1.935	0	5	8	CCC[C@@H](C[N-]S(=O)(=O)c1cnc(C)s1)OCC
342083327	ZINC000625336798	ref	3.93	-10.43	0	289.401	1.386	1	5	9	CCC[C@@H](CNS(=O)(=O)c1cncn1CC)OCC
342083328	ZINC000625344711	ref	7.46	-41.11	1	268.401	1.744	1	2	7	CCO[C@H](C[N@@H+]1CCN(CC)C(=O)[C@@H]1CC)C1CC1
342083329	ZINC000625344711	mid	7.86	-41.46	1	268.401	1.744	1	2	7	CCO[C@H](C[N@H+]1CCN(CC)C(=O)[C@@H]1CC)C1CC1
342083330	ZINC000625344711	mid	7.18	-7.41	0	268.401	1.744	0	3	7	CCO[C@H](CN1CCN(CC)C(=O)[C@@H]1CC)C1CC1
342083331	ZINC000625336473	ref	-0.63	-6.94	0	294.399	1.224	2	5	5	C[C@H](O)C[N@@H+]1CCN(Cc2noc(C3CCC3)n2)[C@@H](C)C1
342083332	ZINC000625336473	mid	1.69	-34.6	1	294.399	1.224	2	5	5	C[C@H](O)C[N@H+]1CCN(Cc2noc(C3CCC3)n2)[C@@H](C)C1
342083333	ZINC000625336473	mid	-0.63	-6.94	0	294.399	1.224	1	6	5	C[C@H](O)CN1CCN(Cc2noc(C3CCC3)n2)[C@@H](C)C1
342083334	ZINC000625336531	ref	5.84	-32.58	1	284.444	1.988	1	3	8	CCN(CCOC1CCOCC1)C[C@@H]1CCC[N@@H+]1CC
342083335	ZINC000625336531	mid	5.78	-32.49	1	284.444	1.988	1	3	8	CCN(CCOC1CCOCC1)C[C@@H]1CCC[N@H+]1CC
197597783	ZINC000162870758	high	5.8	-71.96	0	303.358	2.322	1	4	4	Cc1c([O-])ccc2c(C[NH2+][C@@H](C)[C@@H]3CCOC3)cc(=O)oc12
365623503	ZINC000617374569	ref	3.54	-13.77	0	298.383	0.557	1	4	6	COC[C@@H](NC(=O)CN1CCCCC1=O)C1CCOCC1
365623514	ZINC000617381156	ref	7.33	-44.42	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@H+](CC)C[C@H]2C)n1
342083336	ZINC000625336531	mid	5.84	-32.58	1	284.444	1.988	1	3	8	CCN1CCC[C@H]1C[N@H+](CC)CCOC1CCOCC1
342083337	ZINC000625336531	mid	5.78	-32.49	1	284.444	1.988	1	3	8	CCN1CCC[C@H]1C[N@@H+](CC)CCOC1CCOCC1
342083338	ZINC000625336497	ref	4.66	-34.36	1	263.389	1.195	2	4	6	CCN(Cc1nccc(N)n1)C[C@@H]1CCC[N@@H+]1CC
342083339	ZINC000625336497	mid	4.42	-31.64	1	263.389	1.195	2	4	6	CCN(Cc1nccc(N)n1)C[C@@H]1CCC[N@H+]1CC
342083340	ZINC000625336757	ref	4.18	-32.21	1	259.39	1.521	2	3	8	CC(C)C[C@@H](CO)[N@H+](C)CCOC1CCOCC1
342083341	ZINC000625336757	mid	4.45	-31.39	1	259.39	1.521	2	3	8	CC(C)C[C@@H](CO)[N@@H+](C)CCOC1CCOCC1
342083342	ZINC000625336725	ref	3.61	-9.37	0	292.445	1.756	1	3	10	CCC[C@H](CNS(=O)(=O)N(C)[C@H](C)C1CC1)OCC
342083343	ZINC000625336244	ref	2.72	-11.42	0	293.344	1.699	1	4	4	O=S(=O)(NC[C@@H]1Cc2ccccc2CO1)c1ccco1
365623520	ZINC000617381156	mid	7.42	-45.2	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@H]2C[N@@H+](CC)C[C@H]2C)n1
365623525	ZINC000617381156	high	4.93	-15.17	0	295.343	0.881	1	6	5	CCN1C[C@@H](C)[C@@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1
365623532	ZINC000617386166	ref	4.97	-16.26	0	292.335	0.844	0	4	3	O=C(CN1CCOCC1=O)N1CCC(c2ccco2)CC1
214176646	ZINC000053299161	ref	7.56	-105.51	2	340.265	1.703	2	1	5	C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1
282120441	ZINC000151587296	ref	6.49	-42.62	1	311.47	2.224	3	2	9	COCCC1(CNC(=O)NCCC[NH+]2CCC(C)CC2)CC1
282120451	ZINC000151589135	ref	5.22	-17.46	0	305.403	2.281	1	5	6	Cc1nc(CCNC(=O)[C@H](C)Oc2cccnc2)sc1C
282120458	ZINC000151592208	ref	4.51	-7.44	0	307.394	2.201	1	5	8	COC[C@@H](NC(=O)CCc1nc(C2CCCC2)no1)C1CC1
398246731	ZINC000650864750	ref	3.33	-39.76	1	297.443	1.713	4	2	7	CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC1(CO)CCC1
342083344	ZINC000625336244	high	2.33	-48.01	-1	293.344	1.699	0	4	4	O=S(=O)([N-]C[C@@H]1Cc2ccccc2CO1)c1ccco1
214176651	ZINC000053299161	mid	7.56	-105.62	2	340.265	1.703	2	1	5	C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1
323004224	ZINC000126712649	mid	5.64	-6.81	0	212.337	1.728	0	2	6	CC[C@@H](C)N(C)C(=O)CN(CC)C1CC1
290623092	ZINC000281638557	ref	-0.2	-16.7	0	309.37	-0.015	3	5	5	CNC(=O)c1c(NC(=O)[C@@H](C)CN2CCOCC2)n[nH]c1C
349533176	ZINC000618810441	low	7.65	-49.51	1	286.331	1.609	1	4	3	COC(=O)[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCO1
398246733	ZINC000650864750	mid	3.88	-38.54	1	297.443	1.713	4	2	7	CC[N@H+]1CCCC[C@@H]1CNC(=O)NCCC1(CO)CCC1
214176647	ZINC000278475411	ref	6.36	-16.92	0	310.361	2.374	0	7	3	c1ccn2c([C@H]3CCCN(c4nnc(C5CC5)o4)C3)nnc2c1
342598720	ZINC000590817078	ref	2.59	-10.32	0	295.339	1.344	3	4	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1C[C@@H](C)C[C@@H](O)C1
306234518	ZINC000557854209	ref	5.81	-17.65	0	343.408	1.89	1	4	6	CCN(C(=O)CNS(=O)(=O)c1ccc(C#N)cc1)c1ccccc1
342598721	ZINC000590818397	ref	6.23	-31.36	1	284.444	1.988	1	3	7	CC(C)OCCC[N@@H+]1CCCN(C[C@H]2CCCO2)CC1
342598722	ZINC000590818397	mid	6.39	-30.9	1	284.444	1.988	1	3	7	CC(C)OCCC[N@H+]1CCCN(C[C@H]2CCCO2)CC1
342598723	ZINC000590818397	mid	6.32	-31.08	1	284.444	1.988	1	3	7	CC(C)OCCCN1CCC[N@H+](C[C@H]2CCCO2)CC1
342598724	ZINC000590818397	mid	6.23	-31.36	1	284.444	1.988	1	3	7	CC(C)OCCCN1CCC[N@@H+](C[C@H]2CCCO2)CC1
230234247	ZINC000336811899	mid	-2.67	-41.12	1	270.333	-2.317	3	4	3	CN1CCN(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1
230234250	ZINC000336811899	mid	-5.04	-15.55	0	270.333	-2.317	2	5	3	CN1CCN(C(=O)CN2CC[C@](O)(C(N)=O)C2)CC1
230234256	ZINC000336811899	low	-0.35	-95.32	2	270.333	-2.317	4	3	3	C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@](O)(C(N)=O)C2)CC1
230234262	ZINC000336811899	low	-0.32	-97.08	2	270.333	-2.317	4	3	3	C[NH+]1CCN(C(=O)C[N@H+]2CC[C@](O)(C(N)=O)C2)CC1
230234309	ZINC000336814612	ref	0.51	-41.41	1	274.317	-1.122	3	5	7	CCOC(=O)COCC[N@@H+]1CCC[C@@](O)(C(N)=O)C1
230234316	ZINC000336814612	mid	0.87	-40.76	1	274.317	-1.122	3	5	7	CCOC(=O)COCC[N@H+]1CCC[C@@](O)(C(N)=O)C1
230234323	ZINC000336814612	high	-1.48	-16.08	0	274.317	-1.122	2	6	7	CCOC(=O)COCCN1CCC[C@@](O)(C(N)=O)C1
230234330	ZINC000336792518	ref	-4.42	-18.85	0	280.346	-1.337	2	5	6	CC(C)OCCS(=O)(=O)N1CC[C@](O)(C(N)=O)C1
230234350	ZINC000336834954	ref	2.47	-41.32	1	278.316	-1.02	2	7	5	Cn1ncc2c(=O)n(C[C@@H](O)C[N@H+](C)C3CC3)nnc21
230234360	ZINC000336834954	mid	2.41	-42.87	1	278.316	-1.02	2	7	5	Cn1ncc2c(=O)n(C[C@@H](O)C[N@@H+](C)C3CC3)nnc21
230234364	ZINC000336834954	high	0.01	-10.28	0	278.316	-1.02	1	8	5	CN(C[C@H](O)Cn1nnc2c(cnn2C)c1=O)C1CC1
230234375	ZINC000336793608	ref	-0.14	-39.88	1	255.318	-1.079	3	3	3	NC(=O)[C@@]1(O)CC[N@H+](CC(=O)N2CCCCC2)C1
365623507	ZINC000625035466	ref	7.44	-19.13	0	307.438	2.362	1	2	4	CCC[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365623516	ZINC000625035882	ref	3.43	-16.54	0	322.434	2.047	2	4	5	CC[C@H](NC(=O)N[C@@H]1CCN(C2CCC2)C1=O)c1nccs1
365623521	ZINC000625036827	ref	5.85	-18.44	0	307.438	2.265	2	2	4	CC1CCC(CNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1
365623531	ZINC000625037991	ref	6.78	-44.78	1	318.408	2.429	1	3	5	CC1(C)CN(CCNC(=O)CC2CCC(F)(F)CC2)CCO1
365623539	ZINC000625037991	mid	6.79	-44.77	1	318.408	2.429	2	2	5	CC1(C)C[N@H+](CCNC(=O)CC2CCC(F)(F)CC2)CCO1
299072413	ZINC000459276452	ref	3.18	-9.97	0	320.19	2.503	1	4	2	Oc1cccc(CN2CCc3cncnc3C2)c1Br
365623548	ZINC000625037991	mid	6.78	-44.78	1	318.408	2.429	2	2	5	CC1(C)C[N@@H+](CCNC(=O)CC2CCC(F)(F)CC2)CCO1
365623557	ZINC000625036752	ref	7.46	-22.02	0	313.401	2.296	1	2	3	O=C1[C@H](NC(=O)N2CC[C@@H]2c2ccccc2)CCN1C1CCC1
365623564	ZINC000625034800	ref	3.4	-10.42	0	319.43	2.137	1	5	4	CC1(C)CN(CCNC(=O)c2nccc3ccsc23)CCO1
365623570	ZINC000625034800	low	5.36	-42.66	1	319.43	2.137	2	4	4	CC1(C)C[N@H+](CCNC(=O)c2nccc3ccsc23)CCO1
365623579	ZINC000625034800	low	5.36	-42.67	1	319.43	2.137	2	4	4	CC1(C)C[N@@H+](CCNC(=O)c2nccc3ccsc23)CCO1
365623586	ZINC000625036954	ref	5.83	-18.44	0	307.438	2.265	2	2	4	C[C@@H]1CCC[C@@H](CNC(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365623598	ZINC000625038051	ref	7.17	-19.83	0	305.422	2.114	1	2	3	O=C1[C@H](NC(=O)N2CCC[C@H]2C2CCC2)CCN1C1CCC1
365638825	ZINC000625088374	mid	5.22	-32.77	1	305.418	2.326	3	3	8	COc1ccccc1C[N@@H+](C[C@@H](O)CC1(O)CCC1)C1CC1
342598725	ZINC000590817631	ref	6.06	-19.29	0	293.367	1.279	0	5	5	Cn1cc([C@H]2CCCN2C(=O)COC[C@H]2CCCO2)cn1
342598726	ZINC000590817361	ref	4.54	-10.75	0	269.276	1.685	2	3	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1CC[C@H](F)C1
342598727	ZINC000590817321	ref	3.7	-10.1	0	281.312	1.362	2	4	2	COC(=O)c1[nH]c(C)cc1NC(=O)N1CCO[C@@H](C)C1
342598728	ZINC000590818436	ref	5.37	-45.27	1	272.389	1.029	2	3	8	COCC(=O)NC1CC[NH+](CCCOC(C)C)CC1
342598729	ZINC000590818436	high	3.01	-11.0	0	272.389	1.029	1	4	8	COCC(=O)NC1CCN(CCCOC(C)C)CC1
214176650	ZINC000278473822	ref	6.42	-15.31	0	313.405	1.451	1	5	4	Cc1cnccc1CC(=O)N[C@@H]1CCCN(c2ccnn2C)C1
365638826	ZINC000625088374	mid	2.69	-6.11	0	305.418	2.326	2	4	8	COc1ccccc1CN(C[C@@H](O)CC1(O)CCC1)C1CC1
178293150	ZINC000237010942	ref	5.55	-49.44	1	370.446	1.906	1	4	5	CCOC(=O)c1cc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)ccc1F
178293153	ZINC000237003480	ref	5.89	-41.56	1	360.458	1.201	2	4	6	CCOc1cccnc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
178293157	ZINC000237012799	ref	5.95	-54.81	1	357.414	1.94	2	6	5	CCOC(=O)c1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1
178293160	ZINC000237012955	ref	4.32	-49.64	1	353.488	1.349	1	3	6	CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1
178293162	ZINC000237012955	high	3.97	-14.15	0	353.488	1.349	1	4	6	CCS(=O)(=O)N(C)C1CCN(C(=O)C[C@@H](N)c2ccccc2)CC1
178305170	ZINC000237274486	ref	5.7	-53.23	1	355.442	1.688	2	4	5	C[NH2+]Cc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1
178305173	ZINC000237274486	high	4.26	-12.86	0	355.442	1.688	2	5	5	CNCc1cccc(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2cnn(C)c2)c1
178305177	ZINC000237275398	ref	5.26	-69.28	1	353.422	1.864	2	3	6	COc1ccc(N2C[C@@H](C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2=O)cc1
178305180	ZINC000237275398	high	4.82	-17.05	0	353.422	1.864	2	4	6	COc1ccc(N2C[C@@H](C(=O)NC[C@@H](N)c3ccccc3)CC2=O)cc1
178305183	ZINC000237282712	ref	6.56	-94.17	2	361.486	1.717	3	3	9	COc1cccc([C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)[NH+]2CCCC2)c1
178305184	ZINC000237282712	mid	3.86	-42.35	1	361.486	1.717	2	4	9	COc1cccc([C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)N2CCCC2)c1
178305186	ZINC000237282712	high	2.52	-11.41	0	361.486	1.717	2	5	9	COc1cccc([C@@H](CNC(=O)CNC[C@H]2CCCO2)N2CCCC2)c1
178305190	ZINC000237273025	ref	5.0	-49.51	1	369.531	1.575	2	3	8	C[NH2+]CCN(C)C(=O)CCNS(=O)(=O)c1c(C)c(C)c(C)c(C)c1C
178305194	ZINC000237276949	ref	6.78	-40.31	1	360.483	1.729	2	5	6	COc1ccccc1[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1nccn1C
178305198	ZINC000237276949	low	7.14	-91.47	2	360.483	1.729	2	4	6	COc1ccccc1[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)c1[nH+]ccn1C
178305200	ZINC000237276949	high	5.54	-12.21	0	360.483	1.729	2	6	6	COc1ccccc1[C@H](NC(=O)C[C@@H]1CSCCN1)c1nccn1C
178305203	ZINC000237276871	ref	1.73	-40.95	1	350.444	1.718	1	6	5	COCc1nc(OC)c2c(C)c(C(=O)N3CCC[C@@H]3C[NH3+])sc2n1
178305205	ZINC000237276034	ref	2.59	-52.75	1	355.479	1.396	2	4	8	CSCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
168365326	ZINC000187529580	ref	4.14	-38.41	1	225.332	2.729	2	2	8	CCC(CC)C[NH2+][C@H](CCO)c1ccco1
342598730	ZINC000590818392	ref	5.24	-46.88	1	272.389	1.03	2	3	9	COCCCCC[NH+]1CCC(NC(=O)COC)CC1
342598731	ZINC000590818391	ref	4.53	-10.47	0	296.367	1.196	2	4	3	COC(=O)[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC23CCOCC3)C1
342598732	ZINC000590818531	ref	4.44	-44.59	1	292.445	1.159	1	3	9	COCC[N@H+](CCCS(=O)(=O)N(C)C)C1CCCC1
214176652	ZINC000293465907	ref	1.7	-12.05	0	369.228	0.867	2	5	5	CS[C@H](CO)[C@H](C)NC(=O)c1cnn(C)c1I
282120442	ZINC000449149675	ref	6.32	-96.54	2	268.445	2.392	3	1	9	CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCC1
398246734	ZINC000650864750	high	1.84	-7.27	0	297.443	1.713	3	3	7	CCN1CCCC[C@@H]1CNC(=O)NCCC1(CO)CCC1
214176655	ZINC000293474565	ref	2.46	-11.1	0	365.814	0.957	1	4	5	CN(CCF)C(=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1
342598733	ZINC000590818531	mid	4.87	-45.86	1	292.445	1.159	1	3	9	COCC[N@@H+](CCCS(=O)(=O)N(C)C)C1CCCC1
342600620	ZINC000617000207	ref	5.52	-41.28	1	262.357	1.327	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cncnc2)C1
342600621	ZINC000617000207	mid	5.49	-40.81	1	262.357	1.327	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cncnc2)C1
342600622	ZINC000617000105	ref	5.22	-42.37	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cnn1
197597804	ZINC000162869112	ref	6.79	-13.7	0	324.424	3.265	1	3	3	Cc1ccc2nc(C3CC3)cc(C(=O)N3CCC[C@H](CO)C3)c2c1
342600623	ZINC000617000105	mid	5.17	-42.05	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cnn1
349533180	ZINC000621481868	ref	7.06	-8.02	0	271.792	3.063	0	3	3	CCn1ncc(Cl)c1C(=O)N(C)[C@H](C)C(C)(C)C
342600624	ZINC000617000002	ref	2.02	-35.59	1	295.383	1.923	2	4	5	CCOc1nc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)co1
197597812	ZINC000162868861	ref	7.01	-42.3	1	318.461	2.533	3	2	8	C[C@@H](CCC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1
282120448	ZINC000449149675	mid	6.74	-92.23	2	268.445	2.392	3	1	9	CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC1
197597814	ZINC000162868861	high	4.76	-8.65	0	318.461	2.533	2	3	8	C[C@@H](CCC(=O)NC[C@H](O)CN1CCCCC1)c1ccccc1
342600625	ZINC000617000002	mid	2.03	-35.99	1	295.383	1.923	2	4	5	CCOc1nc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)co1
342600626	ZINC000401680492	ref	2.61	-5.99	0	273.373	1.192	1	5	7	CCC[C@H](C(=O)OCC)N1CCC[C@@](CO)(OC)C1
349533185	ZINC000621480319	ref	5.24	-10.79	0	293.31	3.064	1	3	3	C[C@@H](NC(=O)c1cscc1C(F)(F)F)[C@H]1CCCO1
282120455	ZINC000449150177	ref	6.14	-37.17	1	278.396	2.096	2	2	9	CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)COCc1ccccc1
197597800	ZINC000290109702	ref	8.16	-7.62	0	293.382	3.477	1	2	8	CC(C)COc1ccccc1CNC(=O)C1(CCF)CC1
342598734	ZINC000590819401	ref	5.04	-47.64	-1	275.356	1.661	1	3	3	CC[C@H]1CCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N
124847224	ZINC000364596347	ref	9.21	-50.76	1	320.436	3.53	2	1	4	C[C@H](NC(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc(-c2ccccc2)cc1
342598735	ZINC000590819401	mid	4.36	-26.65	0	275.356	1.661	2	3	3	CC[C@H]1CCC[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N
299072414	ZINC000567668358	ref	7.98	-45.25	1	290.382	2.458	1	1	3	CN(C(=O)C1(c2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]CC1
214176653	ZINC000053299161	mid	6.26	-46.95	1	340.265	1.703	2	2	5	C[N@H+](CCC(=O)N1CCNCC1)Cc1ccc(Br)cc1
361822923	ZINC000599873872	ref	4.64	-14.23	0	293.323	0.692	1	6	8	C=CCOC[C@@H](NC(=O)c1cnn(C2CC2)c1)C(=O)OC
361822932	ZINC000599874508	ref	3.29	-13.32	0	271.313	0.272	1	5	8	C=CCOC[C@H](NC(=O)C1CC(OC)C1)C(=O)OC
361822944	ZINC000599873808	ref	1.84	-11.38	0	260.297	0.943	3	4	4	CNc1ccc(NC(=O)C(=O)NC[C@H](C)C#N)cc1
178293155	ZINC000044686194	ref	6.6	-9.55	0	249.354	3.374	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)C(C)C
214176657	ZINC000053299161	mid	6.26	-46.95	1	340.265	1.703	2	2	5	C[N@@H+](CCC(=O)N1CCNCC1)Cc1ccc(Br)cc1
259308755	ZINC000089183805	ref	7.81	-44.47	1	249.402	3.177	1	2	5	CC[C@@H]([NH2+]Cc1cc(C)nn1C)C1CCCCC1
361822952	ZINC000599866918	ref	4.35	-26.93	0	269.304	0.886	1	3	1	CC1(C#N)CN(C(=O)[C@H]2CNC(=O)c3ccccc32)C1
361822961	ZINC000599880062	ref	3.41	-8.87	0	290.298	0.98	2	4	1	Cc1c(N)cccc1NC(=O)C(=O)N1CC[C@@](F)(C#N)C1
361822973	ZINC000599874697	ref	5.23	-12.16	0	253.302	0.845	0	5	4	CCn1cc(C(=O)N(C)[C@@H](C)C(=O)OC)c(C)n1
361822987	ZINC000599874986	ref	5.31	-11.39	0	295.339	0.868	0	6	4	COC(=O)[C@H](C)N(C)C(=O)c1ccn(C2CCOCC2)n1
361822997	ZINC000599880090	ref	1.43	-11.57	0	279.296	0.346	3	5	5	CNc1ccc(NC(=O)C(=O)NCCC(=O)OC)cc1
361823010	ZINC000599872594	ref	1.92	-11.23	0	260.297	0.792	3	4	3	Cc1c(N)cccc1NC(=O)C(=O)NC[C@@H](C)C#N
361823025	ZINC000599875665	ref	2.17	-24.49	0	282.321	0.977	0	5	2	Cc1oc(S(C)(=O)=O)cc1C(=O)N1CC(C)(C#N)C1
361823035	ZINC000599874746	ref	4.46	-13.23	0	283.328	0.553	0	6	7	COCCCn1cc(C(=O)N(C)[C@@H](C)C(=O)OC)cn1
361823045	ZINC000599867109	ref	3.07	-16.71	0	267.264	0.609	1	5	3	N#C[C@@H]1CN(C(=O)Nc2cnn(CCF)c2)CCO1
361823055	ZINC000599873848	ref	5.3	-18.31	0	275.255	0.841	0	5	5	COC(=O)[C@H](C)N(C)C(=O)Cn1ccc(C(F)F)n1
214176656	ZINC000278474394	ref	2.93	-21.23	0	320.374	1.039	2	6	4	CC(=O)Nc1nc(C(=O)NCc2ccc(C)n(C)c2=O)cs1
214176662	ZINC000278475324	ref	3.0	-12.18	0	310.394	1.908	3	4	6	COc1cc(C)c(NC(=O)N(C[C@@H](C)O)[C@@H](C)CO)cc1C
214176666	ZINC000278475653	ref	4.86	-12.8	0	306.322	1.672	3	6	5	O=[N+]([O-])c1ccc2[nH]c(NCC3(CO)CCOCC3)nc2c1
214176671	ZINC000278475285	ref	6.35	-8.88	0	312.207	2.912	1	2	2	Cc1cccc(C(=O)N[C@@H]2CCOC[C@@H]2C)c1Br
178293161	ZINC000037118560	ref	8.39	-34.82	1	247.382	3.99	1	1	3	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H](C)C1CC1
178293163	ZINC000027302614	ref	6.83	-9.09	0	244.294	1.692	0	4	1	Cc1cc2c(n1C)C(=O)C=C(N1CCCC1)C2=O
214176674	ZINC000278474361	ref	9.84	-48.23	1	318.486	2.942	2	2	4	Cc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCSC2)CC1
178293168	ZINC000104043890	ref	8.78	-36.11	1	249.398	4.237	1	1	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]CC(C)(C)C
214176677	ZINC000278475325	ref	2.55	-12.66	0	310.394	1.908	3	4	6	COc1cc(C)c(NC(=O)N(C[C@H](C)O)[C@@H](C)CO)cc1C
290623095	ZINC000492527733	ref	7.87	-40.33	1	287.407	2.394	2	2	5	CCC[NH+]1CCC(NC(=O)/C=C/c2ccc(C)cn2)CC1
214176681	ZINC000278475913	ref	5.56	-7.55	0	313.327	2.041	0	5	2	C[C@@H](N1CCN(c2ccnc3c2cnn3C)CC1)C(F)(F)F
214176685	ZINC000278475789	ref	10.02	-48.3	1	320.487	2.566	1	5	3	c1nc(N2CC[NH+](C[C@@H]3CCSC3)CC2)c2ccsc2n1
178293171	ZINC000061684194	ref	6.1	-9.82	0	246.31	2.78	1	4	1	Cc1cc2c(n1-c1ccon1)CC(C)(C)C[C@@H]2O
178293173	ZINC000013999066	ref	7.14	-53.79	-1	223.253	2.059	0	5	2	Cc1cc2c(s1)c(C=O)c(C(=O)[O-])n2C
214176690	ZINC000278475789	high	7.99	-7.37	0	320.487	2.566	0	6	3	c1nc(N2CCN(C[C@@H]3CCSC3)CC2)c2ccsc2n1
214176694	ZINC000278475129	ref	5.15	-12.69	0	317.216	3.179	1	3	4	CC(C)[C@@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)nc1Cl
214176699	ZINC000278474597	ref	9.43	-46.5	1	324.877	3.178	1	2	4	O=C1[C@@H]([NH2+]C[C@@H]2CCSC2)CCCN1c1ccccc1Cl
214176704	ZINC000278474597	high	8.29	-8.07	0	324.877	3.178	1	3	4	O=C1[C@@H](NC[C@@H]2CCSC2)CCCN1c1ccccc1Cl
178293177	ZINC000050422252	ref	6.99	-46.8	1	245.33	1.309	1	4	2	Cc1cc2c(n1Cc1nncn1C)CCC[C@@H]2[NH3+]
398246735	ZINC000076764921	ref	5.02	-11.46	0	248.326	1.918	1	2	5	CCCCNC(=O)c1ccc(C(=O)N(C)C)cc1
349533182	ZINC000093227415	ref	2.16	-50.28	-1	269.253	0.232	2	6	7	COc1ccc(C(=O)NCCOCC(=O)[O-])c(O)c1
214176710	ZINC000278474587	ref	9.42	-46.19	1	324.877	3.178	1	2	4	O=C1[C@H]([NH2+]C[C@@H]2CCSC2)CCCN1c1ccccc1Cl
398246736	ZINC000650864749	ref	3.91	-39.29	1	297.443	1.713	4	2	7	CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC1(CO)CCC1
214176659	ZINC000053299161	high	3.92	-7.43	0	340.265	1.703	1	3	5	CN(CCC(=O)N1CCNCC1)Cc1ccc(Br)cc1
214176663	ZINC000053311078	ref	2.69	-19.18	0	344.371	1.441	2	6	6	Cc1nc(C2(NC(=O)COc3ccc(C(N)=O)cc3)CCCC2)no1
342083345	ZINC000625336586	ref	3.53	-54.12	1	288.457	1.227	1	3	6	CCN(C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[N@@H+]1CC
214176667	ZINC000053304975	ref	6.39	-44.89	1	340.265	1.768	1	2	4	C[NH+](C)CCN1CCN(C(=O)c2ccccc2Br)CC1
214176669	ZINC000053304975	high	3.9	-9.48	0	340.265	1.768	0	3	4	CN(C)CCN1CCN(C(=O)c2ccccc2Br)CC1
290623096	ZINC000281638557	mid	2.01	-47.69	1	309.37	-0.015	4	4	5	CNC(=O)c1c(NC(=O)[C@@H](C)C[NH+]2CCOCC2)n[nH]c1C
214176672	ZINC000053308946	ref	8.84	-22.5	0	340.383	2.668	1	5	5	CCn1cc(C(=O)N(C)CC(=O)Nc2cc(C)on2)c2ccccc21
214176676	ZINC000053318347	ref	7.09	-14.47	0	335.36	1.491	1	5	6	C[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1
210256140	ZINC000004712427	ref	0.89	-48.04	-1	335.772	3.191	0	5	4	O=S(=O)([N-]c1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
214176682	ZINC000053304518	ref	6.49	-44.28	1	344.459	3.018	2	4	4	Cc1noc2ncc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)cc12
214176686	ZINC000053305931	ref	5.02	-48.52	1	330.432	0.891	2	3	4	C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
214176689	ZINC000053305931	high	2.53	-11.45	0	330.432	0.891	1	4	4	CN(C)CCN1CCN(C(=O)c2ccc3c(c2)CCC(=O)N3)CC1
342083346	ZINC000625336586	mid	3.73	-51.07	1	288.457	1.227	1	3	6	CCN(C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCC[N@H+]1CC
342083347	ZINC000625336586	mid	1.89	-10.19	0	288.457	1.227	1	3	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@@H]1CCS(=O)(=O)C1
342083348	ZINC000625336586	mid	3.73	-51.07	1	288.457	1.227	1	3	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@H]1CCS(=O)(=O)C1
342083349	ZINC000625336586	high	1.89	-10.19	0	288.457	1.227	0	4	6	CCN(C[C@@H]1CCS(=O)(=O)C1)C[C@@H]1CCCN1CC
342083350	ZINC000625335927	ref	2.18	-34.9	1	298.814	1.933	3	3	4	C[C@H]1C[N@H+](C[C@@H](C)O)CCN1Cc1cc(O)ccc1Cl
342083351	ZINC000625335927	mid	1.92	-34.16	1	298.814	1.933	3	3	4	C[C@H]1C[N@@H+](C[C@@H](C)O)CCN1Cc1cc(O)ccc1Cl
342083352	ZINC000625335927	high	-0.37	-5.68	0	298.814	1.933	2	4	4	C[C@H]1CN(C[C@@H](C)O)CCN1Cc1cc(O)ccc1Cl
342083353	ZINC000625336437	ref	3.39	-11.86	0	292.383	1.684	1	5	4	CC(=O)N1CC[C@H](NCc2noc(C3CCC3)n2)[C@@H](C)C1
342083354	ZINC000625336437	mid	4.58	-45.45	1	292.383	1.684	1	4	4	CC(=O)N1CC[C@H]([NH2+]Cc2noc(C3CCC3)n2)[C@@H](C)C1
342083355	ZINC000625336609	ref	3.28	-54.95	1	288.457	1.227	1	3	6	CCN(C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@@H+]1CC
342083356	ZINC000625336609	mid	3.46	-55.31	1	288.457	1.227	1	3	6	CCN(C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@H+]1CC
306234519	ZINC000557851574	ref	2.78	-12.14	0	334.42	1.481	3	3	1	C[C@@H]1CC2(CCC2)CN1C(=O)NC1CCC2(CC1)NC(=O)NC2=O
342083357	ZINC000625336609	mid	2.74	-9.78	0	288.457	1.227	1	3	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@H]1CCS(=O)(=O)C1
365623526	ZINC000274321979	ref	3.41	-12.19	0	251.282	1.418	2	4	5	CCC(=O)CNC(=O)c1cc(C)cc(OC)c1O
365623533	ZINC000274323562	ref	4.21	-10.71	0	277.246	1.544	1	4	6	CCC(=O)CNC(=O)c1cnn(CCC(F)(F)F)c1
365623543	ZINC000274323365	ref	7.6	-39.41	1	284.4	1.731	2	3	7	CCC[C@H](NC(=O)/C=C/C[NH+](C)C)C(=O)OC(C)(C)C
342083358	ZINC000625336609	mid	3.46	-55.31	1	288.457	1.227	1	3	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@H]1CCS(=O)(=O)C1
342083359	ZINC000625336609	high	2.74	-9.78	0	288.457	1.227	0	4	6	CCN(C[C@@H]1CCS(=O)(=O)C1)C[C@H]1CCCN1CC
365623549	ZINC000274323365	high	5.11	-5.89	0	284.4	1.731	1	4	7	CCC[C@H](NC(=O)/C=C/CN(C)C)C(=O)OC(C)(C)C
365623556	ZINC000274321011	ref	5.86	-19.0	0	276.321	1.655	0	7	3	Cc1c(-c2cc(Cn3ccsc3=O)on2)cnn1C
168365327	ZINC000368508683	ref	5.82	-9.58	0	346.452	3.28	0	5	4	COCc1ncc(C(=O)N2[C@H](C)CO[C@H](c3ccccc3)[C@H]2C)s1
168365329	ZINC000368505664	ref	9.14	-46.26	1	338.492	3.136	1	3	2	CC(C)(C)OC(=O)N1CCC(C[N@@H+]2CC[C@@]3(CCCOC3)C2)CC1
365623566	ZINC000274322595	ref	2.1	-23.73	0	273.379	1.286	1	4	3	CS(=O)(=O)CC(=O)N[C@@H]1CCCc2sccc21
365623573	ZINC000274319424	ref	4.04	-13.16	0	291.355	1.247	2	4	4	CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cncnc2)C1
282120443	ZINC000248958981	ref	1.4	-10.9	0	311.403	1.449	2	4	4	C[C@@H]1Cc2cc(S(=O)(=O)NC[C@@H]3CC[C@@H](O)C3)ccc2O1
342083360	ZINC000625336083	ref	-1.03	-8.44	0	279.365	1.678	2	6	6	COc1cncc(CN[C@@H](CO)c2sccc2C)n1
187169757	ZINC000125097617	ref	6.74	-8.2	0	291.347	2.216	1	4	6	CC[C@H](NC(=O)C1(C(=O)OC)CC1)c1ccc(OC)cc1
342083361	ZINC000625336083	mid	0.13	-41.84	1	279.365	1.678	2	5	6	COc1cncc(C[NH2+][C@@H](CO)c2sccc2C)n1
282120453	ZINC000248959442	ref	1.1	-17.07	0	305.362	1.445	1	4	8	CCN(C[C@@H](O)CC(F)(F)F)[C@H](C)CS(=O)(=O)CC
365623583	ZINC000274320793	ref	4.53	-22.29	0	271.386	1.303	0	4	5	CC(C)n1ccc(C(=O)N(C)[C@H](C)C[S@@](C)=O)n1
365623529	ZINC000172825274	ref	4.68	-18.5	0	261.329	1.435	1	5	4	CCn1nc(C)c(NC(=O)Cc2cnn(C)c2)c1C
365623538	ZINC000172826514	ref	4.29	-7.93	0	265.353	1.521	2	4	7	CCOC(=O)C(C)(C)NC[C@@H](O)Cc1ccccc1
365623547	ZINC000172826514	low	5.56	-44.19	1	265.353	1.521	2	3	7	CCOC(=O)C(C)(C)[NH2+]C[C@@H](O)Cc1ccccc1
349533183	ZINC000618810265	ref	6.83	-12.59	0	288.326	1.644	0	4	4	CN(Cc1cn(C)nn1)C(=O)C1(c2cccc(F)c2)CC1
299072415	ZINC000459276452	high	3.94	-47.96	-1	320.19	2.503	0	4	2	[O-]c1cccc(CN2CCc3cncnc3C2)c1Br
349533191	ZINC000618810118	ref	3.27	-12.11	0	297.318	1.736	2	5	3	Cc1noc(CNC(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1
349533201	ZINC000618808529	ref	5.17	-20.85	0	262.313	1.804	0	5	4	CC(C)c1occc1C(=O)N(C)Cc1cn(C)nn1
365623553	ZINC000643089603	ref	-0.29	-53.51	1	289.426	1.166	2	4	4	Cc1nc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])C2)sc1C
365623561	ZINC000643089603	mid	-0.54	-72.4	0	289.426	1.166	1	4	4	Cc1nc(S(=O)(=O)[N-][C@H]2CC[C@H](C[NH3+])C2)sc1C
168365328	ZINC000187529580	high	4.28	-4.18	0	225.332	2.729	2	3	8	CCC(CC)CN[C@H](CCO)c1ccco1
136228599	ZINC000191583838	ref	1.55	-8.58	0	216.281	0.006	1	3	6	CCN(C)C(=O)[C@H](C)NC(=O)CCOC
168365331	ZINC000280829691	ref	4.35	-7.48	0	234.343	2.942	2	2	6	CCC(CC)CNc1ccc(C(N)=O)c(C)c1
168365334	ZINC000373636657	ref	6.3	-43.1	1	247.382	3.233	2	1	6	CCC(CC)C[NH2+][C@H]1C[C@H](CO)c2ccccc21
342083362	ZINC000625336261	ref	2.91	-11.77	0	275.399	1.209	1	4	7	CCN(CC1CC1)S(=O)(=O)NCc1ccns1
136228600	ZINC000191586362	ref	3.57	-10.64	0	230.308	0.394	1	3	6	CCO[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)CC
168365341	ZINC000129590455	ref	5.27	-7.23	0	203.289	2.801	1	3	5	CCC(CC)CNc1ccc(C#N)nc1
342083363	ZINC000625336533	ref	5.44	-34.71	1	284.444	1.988	1	3	8	CCN(CCOC1CCOCC1)C[C@H]1CCC[N@@H+]1CC
342083364	ZINC000625336533	mid	5.62	-35.51	1	284.444	1.988	1	3	8	CCN(CCOC1CCOCC1)C[C@H]1CCC[N@H+]1CC
342083365	ZINC000625336533	mid	5.44	-34.71	1	284.444	1.988	1	3	8	CCN1CCC[C@@H]1C[N@H+](CC)CCOC1CCOCC1
342083366	ZINC000625336533	mid	5.62	-35.51	1	284.444	1.988	1	3	8	CCN1CCC[C@@H]1C[N@@H+](CC)CCOC1CCOCC1
342083367	ZINC000625336493	ref	5.43	-28.83	1	263.389	1.195	2	4	6	CCN(Cc1nccc(N)n1)C[C@H]1CCC[N@@H+]1CC
342083368	ZINC000625336493	mid	4.12	-34.57	1	263.389	1.195	2	4	6	CCN(Cc1nccc(N)n1)C[C@H]1CCC[N@H+]1CC
342083369	ZINC000625335928	ref	2.19	-34.59	1	298.814	1.933	3	3	4	C[C@H](O)C[N@@H+]1CCN(Cc2cc(O)ccc2Cl)[C@@H](C)C1
342083370	ZINC000625335928	mid	1.89	-34.81	1	298.814	1.933	3	3	4	C[C@H](O)C[N@H+]1CCN(Cc2cc(O)ccc2Cl)[C@@H](C)C1
214176660	ZINC000293471180	ref	3.82	-14.75	0	366.37	0.627	2	7	8	COCc1cc(NC(=O)C(=O)NCCCC(=O)OC)cc(C(=O)OC)c1
214176664	ZINC000293460782	ref	4.46	-14.04	0	352.343	0.106	2	7	7	CCOC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](OC)C(=O)OC
214176668	ZINC000293461871	ref	1.68	-11.18	0	365.34	0.851	2	6	3	O=C(Nc1ccc(F)cc1F)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1
214176673	ZINC000293465581	ref	0.62	-23.96	0	367.431	0.32	3	5	8	CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)NCCc1cn[nH]c1
214176678	ZINC000293468555	ref	8.22	-21.47	0	362.367	0.873	0	10	6	CCOC(=O)c1csc(COC(=O)Cn2nc3ccccn3c2=O)n1
214176683	ZINC000293470646	ref	4.77	-10.27	0	357.794	0.649	2	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1N(C)C)OC
342083371	ZINC000625335928	high	-0.43	-5.9	0	298.814	1.933	2	4	4	C[C@H](O)CN1CCN(Cc2cc(O)ccc2Cl)[C@@H](C)C1
290623097	ZINC000492526562	ref	4.61	-11.08	0	260.337	2.089	1	3	4	Cc1ccncc1/C=C\C(=O)NC[C@@H]1CCCCO1
342083372	ZINC000625336367	ref	3.18	-34.65	1	283.46	1.513	1	3	7	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)CN1CCOCC1
214176688	ZINC000293469519	ref	0.3	-11.28	0	367.187	0.542	2	5	6	COC[C@@](C)(CCO)NC(=O)c1cnn(C)c1I
214176693	ZINC000293464469	ref	5.44	-24.97	0	359.386	0.471	1	7	4	COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2=O)n1C
290623099	ZINC000492527747	ref	7.18	-8.77	0	274.364	2.023	1	3	3	Cc1ccc(/C=C\C(=O)N2CCC[C@H](C)[C@@H]2CO)nc1
214176696	ZINC000293463290	ref	3.43	-19.46	0	355.398	0.94	3	5	5	Cc1nccn1C[C@@H](C)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O
214176698	ZINC000293463290	mid	3.9	-45.4	1	355.398	0.94	3	4	5	Cc1[nH+]ccn1C[C@@H](C)CNC(=O)c1ccc2c(c1)NC(=O)CNC2=O
214176703	ZINC000293465910	ref	1.74	-12.14	0	369.228	0.867	2	5	5	CS[C@@H](CO)[C@@H](C)NC(=O)c1cnn(C)c1I
214176706	ZINC000293463086	ref	-0.25	-24.06	0	354.432	0.633	4	4	8	CNC(=O)NCCC(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1
214176711	ZINC000293462050	ref	0.14	-13.0	0	374.397	0.298	2	6	4	COc1ncc(NC(=O)C(=O)N2C[C@@]3(CCCO3)[C@H]2C2CC2)cc1C(N)=O
214176715	ZINC000293472888	ref	2.31	-11.84	0	364.276	0.828	2	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cccc(OC(F)(F)F)c1)OC
342083373	ZINC000625336367	mid	3.88	-35.07	1	283.46	1.513	1	3	7	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)CN1CCOCC1
365623537	ZINC000576547080	high	5.14	-3.1	0	207.292	3.118	0	1	2	Cc1cccc(CN2CCC2(C)C)c1F
365623544	ZINC000576547226	ref	6.85	-40.9	1	245.363	1.98	1	3	8	COC(=O)COC[C@@H](C)[NH2+]CCCC(C)(C)C
178293181	ZINC000217675290	ref	4.34	-49.28	0	236.271	0.544	2	4	1	Cc1cc2c(o1)[C@H]1C[N@@H+](C)C[C@@]1(C(=O)[O-])NC2
343994479	ZINC000079923473	ref	6.99	-10.76	0	281.359	2.32	2	2	3	O=C(NC1(c2ccccc2)CC1)[C@H]1CCc2c[nH]nc2C1
178293184	ZINC000217675290	mid	4.34	-49.47	0	236.271	0.544	2	4	1	Cc1cc2c(o1)[C@H]1C[N@H+](C)C[C@@]1(C(=O)[O-])NC2
343994484	ZINC000079923520	ref	5.39	-8.98	0	272.304	2.24	1	4	5	COCc1cc(C(=O)NC2(c3ccccc3)CC2)no1
365623552	ZINC000576544686	ref	7.0	-41.42	1	246.398	2.722	1	1	6	C[C@H](C[NH2+]CCN1CC[C@@H](C)C1)c1ccccc1
365623554	ZINC000576544686	low	9.57	-119.15	2	246.398	2.722	2	0	6	C[C@H](C[NH2+]CC[N@@H+]1CC[C@@H](C)C1)c1ccccc1
178293186	ZINC000217675290	mid	1.8	-47.01	-1	236.271	0.544	1	5	1	Cc1cc2c(o1)[C@H]1CN(C)C[C@@]1(C(=O)[O-])NC2
365623562	ZINC000576544686	low	9.63	-119.0	2	246.398	2.722	2	0	6	C[C@H](C[NH2+]CC[N@H+]1CC[C@@H](C)C1)c1ccccc1
343994488	ZINC000079941313	ref	4.89	-10.24	0	295.339	2.164	2	4	6	COC[C@H](C)NC(=O)NC(C)(C)c1ccc([N+](=O)[O-])cc1
178293191	ZINC000041726605	ref	1.37	-46.07	1	207.277	0.618	2	2	2	Cc1cc2c(n1CC(N)=O)CCC[C@H]2[NH3+]
178293193	ZINC000019125969	ref	3.28	-13.1	0	247.254	0.851	1	6	2	Cc1cc2c(cc3c(=O)n(CCO)nc(C)n32)o1
178293195	ZINC000104108075	ref	7.56	-9.21	0	245.326	2.515	2	3	1	Cc1cc2c(n1-c1ncc[nH]1)CC(C)(C)C[C@@H]2O
178293197	ZINC000104108075	low	7.48	-34.0	1	245.326	2.515	2	2	1	Cc1cc2c(n1-c1[nH]cc[nH+]1)CC(C)(C)C[C@@H]2O
178293201	ZINC000028016886	ref	8.25	-13.53	0	228.247	3.464	0	3	0	Cc1cc2c(o1)c(C)c(C)c1ccc(=O)oc12
365623569	ZINC000576546138	ref	-1.8	-10.89	0	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1
178293205	ZINC000005765270	ref	7.18	-14.39	0	200.193	2.848	0	3	0	Cc1cc2c(ccc3ccc(=O)oc32)o1
178293209	ZINC000041726719	ref	5.66	-38.11	1	206.333	2.888	1	1	0	Cc1cc2c(n1C(C)(C)C)CCC[C@@H]2[NH3+]
199273197	ZINC000181260953	low	10.0	-43.02	1	316.449	3.399	1	4	8	CCOc1ccccc1[C@@H](CC(C)C)[NH2+]Cc1nnc(C)n1C
178293212	ZINC000006750378	ref	6.5	-12.88	0	205.242	2.447	1	4	0	Cc1cc2c(cc3c(=S)[nH]ncn32)o1
398249486	ZINC000649443567	ref	6.31	-42.25	1	228.339	2.664	1	1	2	C1=C(c2cccc(N3CCCC3)c2)CC[NH2+]C1
365623576	ZINC000576546138	mid	0.5	-41.97	1	244.335	-0.47	3	3	5	CCN(C)C(=O)CC[N@H+]1CC[C@@H](CO)[C@H](O)C1
365623580	ZINC000576546138	high	-1.8	-10.89	0	244.335	-0.47	2	4	5	CCN(C)C(=O)CCN1CC[C@@H](CO)[C@H](O)C1
365623545	ZINC000617377671	ref	1.64	-8.72	0	279.34	0.956	1	5	5	COC[C@H](NC(=O)c1cnc(C)cn1)C1CCOCC1
365623555	ZINC000617374751	ref	2.12	-11.91	0	284.356	0.023	1	4	5	COC[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C1)C1CCOCC1
282120444	ZINC000533450971	ref	0.71	-9.57	0	284.381	1.394	2	5	5	CC(C)c1ncc(C(=O)NC[C@@H](O)[C@H]2CCOC2)s1
306234520	ZINC000557843191	ref	1.97	-13.23	0	327.446	1.804	2	4	7	COCc1ccccc1CS(=O)(=O)N[C@@H]1CC[C@@H](CO)CC1
168365623	ZINC000042900856	ref	3.16	-36.23	1	178.279	1.637	1	1	3	C[C@@H]([NH3+])[C@@H](c1ccccc1)N(C)C
282120452	ZINC000533445486	ref	4.07	-13.42	0	295.408	1.974	1	5	3	O=C(CN1CCC[C@@]2(CCCOC2)C1)Nc1nccs1
136228601	ZINC000283251480	ref	3.84	-9.18	0	209.289	1.333	1	2	3	CC#CC(=O)NCC1(CC)CCOCC1
342083374	ZINC000625336367	mid	7.81	-92.24	2	283.46	1.513	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)[C@@H](C)CN1CCOCC1
342083375	ZINC000625336367	mid	6.86	-88.99	2	283.46	1.513	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)[C@@H](C)CN1CCOCC1
259308758	ZINC000187713754	ref	9.16	-31.57	1	235.371	3.324	1	1	8	CCC[C@H](C)[N@H+](C)CCOCc1ccccc1
342083376	ZINC000625336367	low	7.81	-92.24	2	283.46	1.513	2	2	7	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)C[NH+]1CCOCC1
342083377	ZINC000625336367	low	6.86	-88.99	2	283.46	1.513	2	2	7	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)C[NH+]1CCOCC1
342083378	ZINC000008003247	ref	6.7	-49.55	1	289.379	1.962	3	2	6	CC(C)[C@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1
342083379	ZINC000008003247	high	5.58	-17.52	0	289.379	1.962	3	3	6	CC(C)[C@H](NCC(=O)NC(=O)NC1CC1)c1ccccc1
342083380	ZINC000625335846	ref	7.36	-19.26	0	284.363	1.884	2	3	5	Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2nnc(C)[nH]2)c1
342083381	ZINC000625335846	mid	6.98	-15.47	0	284.363	1.884	2	3	5	Cc1cccc([C@@H]2C[C@H]2C(=O)NCCc2nc(C)n[nH]2)c1
342083382	ZINC000625336401	ref	3.02	-38.19	1	278.4	1.791	1	4	7	CCN(Cc1ccnc(OC)n1)C[C@@H]1CCC[N@@H+]1CC
342083383	ZINC000625336401	mid	2.86	-40.18	1	278.4	1.791	1	4	7	CCN(Cc1ccnc(OC)n1)C[C@@H]1CCC[N@H+]1CC
342083384	ZINC000625336619	ref	5.04	-6.03	0	294.447	1.734	1	5	6	CCN(Cc1nnn(C(C)(C)C)n1)C[C@H]1CCC[N@@H+]1CC
342083385	ZINC000625336619	mid	5.8	-37.57	1	294.447	1.734	1	5	6	CCN(Cc1nnn(C(C)(C)C)n1)C[C@H]1CCC[N@H+]1CC
342083386	ZINC000625336619	high	5.04	-6.03	0	294.447	1.734	0	6	6	CCN(Cc1nnn(C(C)(C)C)n1)C[C@H]1CCCN1CC
342083387	ZINC000625336365	ref	4.91	-32.66	1	283.46	1.513	1	3	7	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)CN1CCOCC1
168365330	ZINC000368505664	mid	9.13	-45.73	1	338.492	3.136	1	3	2	CC(C)(C)OC(=O)N1CCC(C[N@H+]2CC[C@@]3(CCCOC3)C2)CC1
342083388	ZINC000625336365	mid	3.85	-32.33	1	283.46	1.513	1	3	7	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)CN1CCOCC1
365623565	ZINC000617373687	ref	1.65	-9.51	0	286.372	0.459	2	4	7	CCC(=O)N[C@@H](C)C(=O)N[C@@H](COC)C1CCOCC1
342083389	ZINC000625336365	mid	7.24	-88.61	2	283.46	1.513	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)[C@H](C)CN1CCOCC1
342083390	ZINC000625336365	mid	6.19	-91.17	2	283.46	1.513	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)[C@H](C)CN1CCOCC1
342083391	ZINC000625336365	low	7.24	-88.61	2	283.46	1.513	2	2	7	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)C[NH+]1CCOCC1
342083392	ZINC000625336365	low	6.19	-91.17	2	283.46	1.513	2	2	7	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)C[NH+]1CCOCC1
342083393	ZINC000625335924	ref	2.3	-35.08	1	298.814	1.933	3	3	4	C[C@H](O)C[N@@H+]1CCN(Cc2cc(O)ccc2Cl)[C@H](C)C1
342083394	ZINC000625335924	mid	1.95	-34.4	1	298.814	1.933	3	3	4	C[C@H](O)C[N@H+]1CCN(Cc2cc(O)ccc2Cl)[C@H](C)C1
342083395	ZINC000625335924	high	-0.01	-5.23	0	298.814	1.933	2	4	4	C[C@H](O)CN1CCN(Cc2cc(O)ccc2Cl)[C@H](C)C1
342083396	ZINC000625336727	ref	3.61	-10.18	0	292.445	1.756	1	3	10	CCC[C@H](CNS(=O)(=O)N(C)[C@@H](C)C1CC1)OCC
342083397	ZINC000625336360	ref	5.0	-32.73	1	283.46	1.513	1	3	7	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)CN1CCOCC1
342083398	ZINC000625336360	mid	5.76	-29.58	1	283.46	1.513	1	3	7	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)CN1CCOCC1
342083399	ZINC000625336360	mid	6.63	-89.63	2	283.46	1.513	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)[C@H](C)CN1CCOCC1
342083400	ZINC000625336360	mid	7.36	-89.16	2	283.46	1.513	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)[C@H](C)CN1CCOCC1
342083401	ZINC000625336360	low	6.63	-89.63	2	283.46	1.513	2	2	7	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)C[NH+]1CCOCC1
342083402	ZINC000625336360	low	7.36	-89.16	2	283.46	1.513	2	2	7	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)C[NH+]1CCOCC1
342083403	ZINC000625335886	ref	0.83	-38.53	1	285.409	1.346	4	4	7	Cc1ccsc1[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1
342083404	ZINC000625335886	high	-0.45	-6.88	0	285.409	1.346	4	5	7	Cc1ccsc1[C@H](CO)NC[C@H](O)CC1(O)CCC1
342083405	ZINC000625335891	ref	-0.46	-38.51	1	285.409	1.346	4	4	7	Cc1ccsc1[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1
178305175	ZINC000010382435	low	10.47	-31.21	1	216.328	3.699	0	1	3	Cc1cc2[nH+]cn(CCC(C)C)c2cc1C
342083406	ZINC000625335891	high	-1.79	-7.27	0	285.409	1.346	4	5	7	Cc1ccsc1[C@H](CO)NC[C@@H](O)CC1(O)CCC1
133427932	ZINC000306428344	ref	0.83	-10.13	0	198.251	1.234	2	4	3	C=C[C@@H](C)NC(=O)Nc1cnns1
342598736	ZINC000590819626	ref	6.13	-50.52	-1	299.378	1.66	1	3	1	Cn1cc(C#N)c(=NC(=O)NC2C3CC4CC(C3)CC2C4)[n-]1
365623567	ZINC000172821158	ref	4.74	-16.9	0	278.356	1.327	1	4	4	CCN1C[C@@H](C(=O)Nc2c(C)nn(CC)c2C)CC1=O
365623574	ZINC000172824786	ref	5.82	-16.15	0	251.33	1.885	1	4	6	CCn1nc(C)c(NC(=O)COCC2CC2)c1C
398246737	ZINC000650864749	mid	3.16	-39.4	1	297.443	1.713	4	2	7	CC[N@H+]1CCCC[C@H]1CNC(=O)NCCC1(CO)CCC1
214176697	ZINC000053318348	ref	7.08	-14.63	0	335.36	1.491	1	5	6	C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1
342598737	ZINC000590819626	mid	5.57	-27.58	0	299.378	1.66	2	3	1	Cn1cc(C#N)c(=NC(=O)NC2C3CC4CC(C3)CC2C4)[nH]1
365623584	ZINC000172821501	ref	3.23	-11.7	0	253.298	1.225	1	4	7	COCC(=O)NC[C@@H](C)Oc1cccc(OC)c1
365623593	ZINC000172831185	ref	5.12	-9.45	0	276.38	1.661	1	3	9	CN(CCOCC1CC1)CC(=O)NCc1ccccc1
342598738	ZINC000197293432	ref	6.42	-12.37	0	280.28	1.666	1	5	4	CC(C)(C)OC(=O)CNC(=O)c1cccc([N+](=O)[O-])c1
365623606	ZINC000172831185	mid	7.42	-37.89	1	276.38	1.661	2	2	9	C[N@H+](CCOCC1CC1)CC(=O)NCc1ccccc1
365623621	ZINC000172831185	mid	7.43	-37.46	1	276.38	1.661	2	2	9	C[N@@H+](CCOCC1CC1)CC(=O)NCc1ccccc1
365623626	ZINC000172819626	ref	2.71	-10.63	0	293.348	1.744	1	6	6	COc1cccc(O[C@@H](C)CNC(=O)c2cnns2)c1
282120445	ZINC000330017012	ref	4.88	-59.05	1	288.413	0.364	1	3	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1
342598739	ZINC000590819650	ref	5.84	-48.04	-1	287.367	1.972	1	3	4	C=CCC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCCC1
282120449	ZINC000330017012	high	2.43	-21.1	0	288.413	0.364	0	4	3	CN(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCS2(=O)=O)C1
342598740	ZINC000590819650	mid	5.16	-26.66	0	287.367	1.972	2	3	4	C=CCC1(CNC(=O)N=c2[nH]n(C)cc2C#N)CCCC1
342598741	ZINC000590819648	ref	6.84	-51.84	-1	289.383	1.858	0	3	2	CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)N=c1[n-]n(C)cc1C#N
365623633	ZINC000172825194	ref	3.03	-13.32	0	296.371	1.983	2	5	4	CCn1nc(C)c(NC(=O)CNC(=O)OC(C)(C)C)c1C
365623648	ZINC000172821705	ref	2.28	-13.63	0	275.312	1.377	2	6	5	Cc1noc(-c2cccnc2NCC(=O)NC(C)C)n1
210256147	ZINC000004712427	low	1.8	-10.68	0	335.772	3.191	1	5	4	O=S(=O)(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1
259308761	ZINC000187713754	mid	9.2	-31.17	1	235.371	3.324	1	1	8	CCC[C@H](C)[N@@H+](C)CCOCc1ccccc1
365623655	ZINC000172822486	ref	4.47	-10.23	0	287.367	1.712	0	6	3	Cc1nccc(N2CCN(Cc3c(C)noc3C)CC2)n1
349533186	ZINC000093227415	high	3.16	-111.17	-2	269.253	0.232	1	6	7	COc1ccc(C(=O)NCCOCC(=O)[O-])c([O-])c1
398246738	ZINC000394175502	ref	1.31	-8.09	0	227.304	0.259	2	3	5	CC(C)[C@@H](CO)CNC(=O)[C@@H]1[C@H]2COC[C@H]21
187169758	ZINC000125096002	ref	7.87	-11.85	0	280.763	1.895	1	6	6	CNc1c(Cl)ncnc1N(C)CCCn1ccnc1
365623571	ZINC000623052488	low	7.87	-38.89	1	317.433	1.554	2	2	6	Cc1ccccc1CNC(=O)[C@H](C)[N@@H+](C)CC(=O)N1CCCC1
365623585	ZINC000623052926	ref	4.32	-56.66	1	324.182	1.055	1	4	1	[NH3+]C1CCN(C(=O)c2nc3ccc(Br)cn3n2)CC1
349533190	ZINC000093227045	ref	5.36	-50.92	-1	291.303	0.852	1	5	7	O=C([O-])COCCNC(=O)/C=C/c1ccc2c(c1)CCO2
349533197	ZINC000093227072	ref	3.6	-50.98	-1	253.254	0.526	1	5	7	COc1cccc(C(=O)NCCOCC(=O)[O-])c1
365623595	ZINC000623053276	ref	4.04	-47.36	1	312.373	1.328	3	3	2	O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1nc2ccccc2c(=O)[nH]1
282120446	ZINC000330276942	ref	5.01	-12.87	0	317.374	1.46	1	6	2	Cc1nc2n(n1)C[C@H](N1C(=O)N[C@H](c3cccs3)C1=O)CC2
290623098	ZINC000423576779	mid	4.97	-4.4	0	307.438	1.235	1	3	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3CCNC(C)(C)C3)C2)C1
365623602	ZINC000623053276	mid	2.98	-69.93	0	312.373	1.328	2	3	2	O=C(N[C@@H]1CC[NH2+]C2(CCC2)C1)c1nc2ccccc2c(=O)[n-]1
342598742	ZINC000590819648	mid	6.42	-28.78	0	289.383	1.858	1	3	2	CC(C)[C@H]1[C@H](C(C)C)CN1C(=O)N=c1[nH]n(C)cc1C#N
365623612	ZINC000623051691	ref	3.79	-11.15	0	315.366	1.779	0	4	2	C[C@@H]1COCC[C@@H]1S(=O)(=O)N1CCOc2ccc(F)cc21
282120450	ZINC000358847192	ref	4.19	-10.35	0	283.335	1.885	1	5	1	Cc1ccc2oc(=N[C@@H]3CCc4nc(C)nn4C3)[nH]c2c1
342598743	ZINC000590819400	ref	5.4	-47.54	-1	275.356	1.661	1	3	3	CC[C@@H]1CCC[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N
342598744	ZINC000590819400	mid	4.71	-26.74	0	275.356	1.661	2	3	3	CC[C@@H]1CCC[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N
365623619	ZINC000623051512	ref	6.74	-23.25	0	322.372	1.15	2	6	3	CC1(C)CNC(=O)[C@@H]1Nc1ccc2nnc(-c3ccccc3)n2n1
365623632	ZINC000623050983	ref	5.14	-38.46	1	316.449	1.821	3	4	5	O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cnc(C3CC3)nc2)CC1
342598745	ZINC000590819273	ref	5.7	-47.21	-1	275.356	1.948	1	3	2	CCC1(NC(=O)N=c2[n-]n(C)cc2C#N)CCCCC1
342598746	ZINC000590819273	mid	4.97	-22.72	0	275.356	1.948	2	3	2	CCC1(NC(=O)N=c2[nH]n(C)cc2C#N)CCCCC1
342598747	ZINC000590819409	ref	4.08	-46.89	-1	275.337	1.405	1	4	2	Cc1csc(CNC(=O)N=c2[n-]n(C)cc2C#N)c1
342083407	ZINC000625336074	ref	6.46	-33.54	1	253.39	1.025	1	2	6	CCN(CC(=O)N1CCC1)C[C@H]1CCC[N@@H+]1CC
342083408	ZINC000625336074	mid	5.32	-40.24	1	253.39	1.025	1	2	6	CCN(CC(=O)N1CCC1)C[C@H]1CCC[N@H+]1CC
342083409	ZINC000625336074	high	4.47	-8.37	0	253.39	1.025	0	3	6	CCN(CC(=O)N1CCC1)C[C@H]1CCCN1CC
214176702	ZINC000053313775	ref	4.33	-8.05	0	330.453	3.272	2	5	3	OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@H](O)CCC2
210256154	ZINC000004713697	ref	12.11	-9.9	0	328.415	5.051	0	3	4	COc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1
342083410	ZINC000625336402	ref	3.81	-30.43	1	278.4	1.791	1	4	7	CCN(Cc1ccnc(OC)n1)C[C@H]1CCC[N@@H+]1CC
342083411	ZINC000625336402	mid	2.56	-37.67	1	278.4	1.791	1	4	7	CCN(Cc1ccnc(OC)n1)C[C@H]1CCC[N@H+]1CC
342083412	ZINC000625336620	ref	3.85	-5.84	0	294.447	1.734	1	5	6	CCN(Cc1nnn(C(C)(C)C)n1)C[C@@H]1CCC[N@@H+]1CC
342083413	ZINC000625336620	mid	6.01	-33.31	1	294.447	1.734	1	5	6	CCN(Cc1nnn(C(C)(C)C)n1)C[C@@H]1CCC[N@H+]1CC
342083414	ZINC000625336620	high	3.85	-5.84	0	294.447	1.734	0	6	6	CCN(Cc1nnn(C(C)(C)C)n1)C[C@@H]1CCCN1CC
214176708	ZINC000053315692	ref	8.85	-17.23	0	330.409	3.227	0	5	6	COc1cc(C#N)ccc1OCC(=O)N(C)[C@@H](C)c1cccs1
210256164	ZINC000004712531	ref	3.2	-16.71	0	349.387	0.757	1	6	8	COc1ccc(C2=NN(CC(=O)NCC(OC)OC)C(=O)CC2)cc1
365623575	ZINC000617381155	ref	7.33	-43.83	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2C)n1
342083415	ZINC000625336079	ref	-1.16	-8.08	0	279.365	1.678	2	6	6	COc1cncc(CN[C@H](CO)c2sccc2C)n1
365623582	ZINC000617381155	mid	7.33	-45.08	1	295.343	0.881	2	5	5	CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2C)n1
222609186	ZINC000222518498	ref	7.29	-18.72	0	394.924	3.844	1	3	5	Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)c1
342083416	ZINC000625336079	mid	0.12	-42.98	1	279.365	1.678	2	5	6	COc1cncc(C[NH2+][C@H](CO)c2sccc2C)n1
365623588	ZINC000617381155	high	4.73	-15.53	0	295.343	0.881	1	6	5	CCN1C[C@H](C)[C@H](NC(=O)c2nn(CC)cc2[N+](=O)[O-])C1
342083417	ZINC000625335930	ref	2.3	-35.29	1	298.814	1.933	3	3	4	C[C@@H](O)C[N@@H+]1CCN(Cc2cc(O)ccc2Cl)[C@H](C)C1
342083418	ZINC000625335930	mid	2.0	-34.9	1	298.814	1.933	3	3	4	C[C@@H](O)C[N@H+]1CCN(Cc2cc(O)ccc2Cl)[C@H](C)C1
342083419	ZINC000625335930	high	-0.1	-5.03	0	298.814	1.933	2	4	4	C[C@@H](O)CN1CCN(Cc2cc(O)ccc2Cl)[C@H](C)C1
349533189	ZINC000621480321	ref	4.71	-10.66	0	293.31	3.064	1	3	3	C[C@@H](NC(=O)c1cscc1C(F)(F)F)[C@@H]1CCCO1
214176713	ZINC000053305591	ref	5.97	-24.53	0	343.427	1.38	1	3	3	Cc1cccc(N2C[C@@H](C(=O)N3CCC[C@@H](C(N)=O)C3)CC2=O)c1C
197597850	ZINC000290109914	ref	8.48	-13.34	0	270.712	2.875	0	4	6	CCCC(=O)COc1ccc(C(=O)OC)cc1Cl
398246739	ZINC000650864749	high	1.9	-7.17	0	297.443	1.713	3	3	7	CCN1CCCC[C@H]1CNC(=O)NCCC1(CO)CCC1
398246741	ZINC000650862501	ref	9.0	-57.35	1	299.378	1.059	2	4	5	C[C@@]1(NC(=O)Cn2cncn2)CC[N@H+](Cc2ccccc2)C1
398246743	ZINC000650862501	mid	9.01	-57.31	1	299.378	1.059	2	4	5	C[C@@]1(NC(=O)Cn2cncn2)CC[N@@H+](Cc2ccccc2)C1
214176716	ZINC000053305030	ref	5.52	-42.74	1	346.294	1.83	1	3	4	C[NH+](C)CCN1CCN(C(=O)c2ccc(Br)s2)CC1
199273198	ZINC000294964821	high	4.61	-48.88	-1	282.359	2.124	1	3	6	CCN(C)C(=O)[C@@H](NCc1cc([O-])cc(F)c1)C(C)C
214176723	ZINC000053305030	high	3.04	-6.01	0	346.294	1.83	0	4	4	CN(C)CCN1CCN(C(=O)c2ccc(Br)s2)CC1
214176727	ZINC000053320087	ref	6.16	-12.1	0	336.388	1.78	2	5	5	COC(=O)C1(NC(=O)[C@H](C)NC(=O)c2ccco2)CCCCCC1
214176732	ZINC000053302049	ref	4.4	-26.35	0	337.445	2.201	2	4	7	CCS(=O)(=O)CC(=O)N[C@@H](CC(C)C)c1nc2ccccc2[nH]1
214176741	ZINC000053321479	ref	7.85	-13.2	0	340.464	2.311	2	4	6	COC(=O)C1(NC(=O)CCCNC(=O)C(C)(C)C)CCCCCC1
210256178	ZINC000004710529	ref	10.36	-15.04	0	346.455	5.169	1	4	1	Cc1ccsc1[C@H]1C2=C(CCCC2=O)Nc2c1ccc1ncccc21
342083420	ZINC000238094992	ref	6.34	-41.37	1	270.336	1.622	2	3	4	O=C(Nc1ccn(Cc2ccccc2)n1)[C@@H]1CCC[NH2+]1
214176746	ZINC000053313730	low	4.5	-36.88	0	330.336	3.327	2	6	4	CCCc1cc(O)c2c(O)c3c(=O)cc(OC)cc3c(OC)c2o1
342083421	ZINC000625336663	ref	1.2	-6.36	0	281.356	1.309	1	6	5	C[C@H](O)C[C@@H]1COCCN1Cc1noc(C2CCC2)n1
342083422	ZINC000238078200	ref	3.17	-49.35	1	289.379	1.461	2	3	3	O=C(Nc1cccc(N2CCOCC2)c1)C1CC[NH2+]CC1
342083423	ZINC000625336076	ref	5.72	-40.92	1	253.39	1.025	1	2	6	CCN(CC(=O)N1CCC1)C[C@@H]1CCC[N@@H+]1CC
342083424	ZINC000625336076	mid	5.51	-37.87	1	253.39	1.025	1	2	6	CCN(CC(=O)N1CCC1)C[C@@H]1CCC[N@H+]1CC
342083425	ZINC000625336076	high	3.34	-7.81	0	253.39	1.025	0	3	6	CCN(CC(=O)N1CCC1)C[C@@H]1CCCN1CC
342083426	ZINC000625335957	ref	2.62	-11.79	0	293.344	1.699	1	4	4	O=S(=O)(NC[C@@H]1Cc2ccccc2CO1)c1ccoc1
365623578	ZINC000121845347	ref	7.3	-10.07	0	277.364	2.494	1	3	5	Cc1cccc(O[C@@H](C)C(=O)NCC(=O)C(C)(C)C)c1
282120447	ZINC000263103918	ref	7.88	-41.1	0	264.369	2.932	1	3	7	CCC(CC)(C[NH2+][C@@H](C)c1cc(C)ccn1)C(=O)[O-]
398249549	ZINC000100407006	ref	6.2	-12.14	0	222.675	2.843	1	2	2	CCc1cc(=O)n(-c2ccc(Cl)cc2)[nH]1
214176714	ZINC000278474587	high	8.29	-12.49	0	324.877	3.178	1	3	4	O=C1[C@H](NC[C@@H]2CCSC2)CCCN1c1ccccc1Cl
342083427	ZINC000625336704	ref	3.18	-8.85	0	251.392	1.911	1	3	10	CCCCS(=O)(=O)NC[C@H](CCC)OCC
214176721	ZINC000278475574	ref	6.41	-47.4	1	324.465	3.063	1	3	6	CSc1ccc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1F
197597879	ZINC000162873900	ref	6.38	-14.24	0	316.279	2.649	2	3	6	O=C(NOCCC(F)(F)F)c1ccc(NC(=O)C2CC2)cc1
214176726	ZINC000278475965	ref	4.27	-30.3	0	308.332	3.256	1	3	6	FC(F)c1nnc([N-][C@@H](C[NH+]2CCCC2)c2ccccc2)o1
197597882	ZINC000162867855	ref	5.53	-9.45	0	306.381	2.739	3	2	6	O=C(NC[C@H](O)c1ccc(F)cc1)NCC1(C2CC2)CCC1
197597893	ZINC000162866814	ref	7.58	-14.57	0	315.417	1.806	1	2	2	CN1C[C@H](NC(=O)N(C)[C@H]2CCc3ccccc3C2)CCC1=O
342083428	ZINC000625344714	ref	6.09	-13.95	0	263.675	1.943	0	3	4	Cn1cc(Cl)c(C(=O)N(CC(F)F)C2CC2)n1
342083429	ZINC000625336423	ref	6.64	-46.16	1	292.431	1.875	1	5	7	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)c1nnnn1C1CC1
342083430	ZINC000625336423	mid	7.37	-41.88	1	292.431	1.875	1	5	7	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)c1nnnn1C1CC1
342083431	ZINC000625336724	ref	3.69	-7.68	0	292.445	1.756	1	3	10	CCC[C@@H](CNS(=O)(=O)N(C)[C@@H](C)C1CC1)OCC
342083432	ZINC000625336438	ref	3.77	-11.45	0	292.383	1.684	1	5	4	CC(=O)N1CC[C@@H](NCc2noc(C3CCC3)n2)[C@@H](C)C1
342083433	ZINC000625336438	mid	4.85	-48.8	1	292.383	1.684	1	4	4	CC(=O)N1CC[C@@H]([NH2+]Cc2noc(C3CCC3)n2)[C@@H](C)C1
342083434	ZINC000625336051	ref	5.53	-39.5	1	293.411	1.525	2	3	6	C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](C)c1ccco1
342083435	ZINC000625336051	mid	3.16	-6.79	0	293.411	1.525	1	4	6	C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@@H](C)c1ccco1
342083436	ZINC000625336051	mid	5.58	-41.9	1	293.411	1.525	2	3	6	C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H](C)c1ccco1
342083437	ZINC000625336868	ref	5.7	-24.06	0	295.346	1.563	2	4	5	Cc1nnc(CCNC(=O)Cc2cccc3cnccc23)[nH]1
342083438	ZINC000625336868	mid	5.32	-20.14	0	295.346	1.563	2	4	5	Cc1n[nH]c(CCNC(=O)Cc2cccc3cnccc23)n1
342083439	ZINC000625336439	ref	3.82	-11.93	0	292.383	1.684	1	5	4	CC(=O)N1CC[C@H](NCc2noc(C3CCC3)n2)[C@H](C)C1
398246740	ZINC000651453912	ref	8.23	-7.06	0	250.386	3.151	1	1	3	CN(CC1CCCC1)C(=O)NC1CC2(CCC2)C1
178293221	ZINC000044686191	ref	6.59	-9.57	0	249.354	3.374	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)C(C)C
178293225	ZINC000076673356	ref	7.44	-5.3	0	224.101	3.249	0	1	0	Cc1cc2c(ccn2C)cc1Br
398246744	ZINC000651454050	ref	8.57	-6.67	0	262.397	3.293	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]1C1CCC1
178293230	ZINC000041730878	ref	1.54	-44.59	1	221.304	1.179	2	2	2	Cc1cc2c(n1[C@H](C)C(N)=O)CCC[C@@H]2[NH3+]
178293236	ZINC000049035420	ref	5.99	-11.48	0	227.263	3.2	1	2	0	Cc1cc2c(o1)c(C)cc1c(C)cc(=O)[nH]c12
398246747	ZINC000651453337	ref	8.84	-12.12	0	294.345	3.439	1	1	3	CN(Cc1ccc(F)cc1F)C(=O)NC1CC2(CCC2)C1
398246750	ZINC000651453066	ref	7.69	-8.27	0	264.394	3.222	1	2	3	CN(Cc1ccsc1)C(=O)NC1CC2(CCC2)C1
398246753	ZINC000651455099	ref	8.71	-7.51	0	262.397	3.292	1	1	4	C[C@@H](C1CC1)N(C(=O)NC1CC2(CCC2)C1)C1CC1
398246756	ZINC000651453821	ref	9.41	-8.8	0	272.392	3.469	1	1	3	Cc1cccc(CN(C)C(=O)NC2CC3(CCC3)C2)c1
398246759	ZINC000651453451	ref	7.74	-12.69	0	289.379	3.162	1	3	2	Cc1cc([C@H]2CCCN2C(=O)NC2CC3(CCC3)C2)on1
178293250	ZINC000104052021	ref	5.99	-39.89	1	249.354	2.98	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+][C@H]1CCOC1
178293251	ZINC000104052021	high	5.0	-4.97	0	249.354	2.98	1	3	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2N[C@H]1CCOC1
398246761	ZINC000651453156	ref	8.51	-6.55	0	250.386	3.149	1	1	4	CC(C)CN(C(=O)NC1CC2(CCC2)C1)C1CC1
398246763	ZINC000651453079	ref	8.69	-12.52	0	292.329	3.37	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2cc(F)c(F)cc21
365623590	ZINC000576552093	ref	2.89	-9.2	0	245.388	1.653	2	3	6	CSCC(=O)N[C@H](C(C)C)C1(CO)CCC1
365623596	ZINC000576550614	ref	0.97	-40.18	1	237.303	0.829	2	3	6	CC[C@](C)(CNc1cc[nH+]cc1C(N)=O)OC
178293254	ZINC000049814702	ref	7.27	-4.61	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)C[C@H](C)C[C@@H]2C
365623603	ZINC000576550614	mid	0.5	-9.29	0	237.303	0.829	2	4	6	CC[C@](C)(CNc1ccncc1C(N)=O)OC
365623610	ZINC000576550340	ref	3.27	-8.26	0	248.326	1.63	1	3	3	C[C@H](O)CCN1CCC(=O)N(C)c2ccccc21
349533196	ZINC000621482333	ref	5.93	-17.87	0	259.353	3.07	1	2	2	C[C@H](N(C)C(=O)c1c[nH]c2cccnc12)C(C)(C)C
178293255	ZINC000040833790	ref	8.75	-10.55	0	210.232	3.255	0	2	0	Cc1cc2c(ccc3ccccc32)oc1=O
178293257	ZINC000217647108	ref	5.93	-10.84	0	200.184	2.598	0	2	1	Cc1cc2c(o1)C[C@@H](C(F)F)CC2=O
365623618	ZINC000576541931	ref	4.91	-9.77	0	248.326	2.332	2	2	3	C[C@@H]1CC[C@@H]1NC(=O)N(C)Cc1cccc(O)c1
214176719	ZINC000293467274	ref	4.62	-45.5	1	363.414	0.626	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)cc(C(=O)OC)c1
214176722	ZINC000293467274	mid	4.65	-45.61	1	363.414	0.626	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C)C2)cc(C(=O)OC)c1
214176725	ZINC000293464424	ref	5.84	-20.49	0	373.413	0.959	2	7	6	CC[C@H]1Oc2cc([C@H](C)NC(=O)CCn3ncn(C)c3=O)ccc2NC1=O
342083440	ZINC000625336439	mid	4.85	-47.34	1	292.383	1.684	1	4	4	CC(=O)N1CC[C@H]([NH2+]Cc2noc(C3CCC3)n2)[C@H](C)C1
342083441	ZINC000625336666	ref	-0.59	-8.22	0	281.356	1.309	1	6	5	C[C@H](O)C[C@H]1COCCN1Cc1noc(C2CCC2)n1
343994481	ZINC000139397003	low	4.85	-45.63	1	184.283	1.341	1	1	3	CCC(CC)N1C(=O)[C@H](C)[NH2+][C@H]1C
349533198	ZINC000621221585	ref	6.73	-14.02	0	283.375	2.436	2	2	5	CC1(C)C[C@@]1(CNC(=O)Cc1cc[nH]n1)c1ccccc1
214176739	ZINC000293465979	ref	3.13	-11.3	0	357.407	0.802	2	4	6	Cc1c(NC(=O)C(=O)N(C)CCF)cccc1S(=O)(=O)NC1CC1
349533205	ZINC000621224722	ref	3.48	-10.57	0	291.273	2.194	1	4	5	COc1cnc(C(=O)NCC(C)(C)CC(F)(F)F)nc1
178293232	ZINC000082787251	ref	7.64	-12.58	0	259.305	2.955	0	4	4	CCOC(=O)C(C)(C)Oc1cccc2cccnc12
197597875	ZINC000290109389	ref	4.28	-12.9	0	266.345	0.935	1	4	6	COCCN(C)C(=O)NCc1ncccc1N(C)C
342083442	ZINC000238095268	ref	4.8	-9.95	0	288.376	1.532	2	5	4	O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1CSCN1
342083443	ZINC000238095268	low	6.19	-44.36	1	288.376	1.532	2	4	4	O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1CSC[NH2+]1
342083444	ZINC000625335893	ref	0.84	-38.94	1	285.409	1.346	4	4	7	Cc1ccsc1[C@@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1
342083445	ZINC000625335893	high	-0.32	-7.04	0	285.409	1.346	4	5	7	Cc1ccsc1[C@@H](CO)NC[C@H](O)CC1(O)CCC1
342083446	ZINC000625335865	ref	3.0	-11.69	0	285.432	1.384	2	3	5	C[C@H](C(=O)NC(C)(C)C)N(C)CC(=O)NCC(C)(C)C
342083447	ZINC000625335865	low	5.18	-38.05	1	285.432	1.384	3	2	5	C[C@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NCC(C)(C)C
342083448	ZINC000625335865	low	5.16	-41.62	1	285.432	1.384	3	2	5	C[C@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NCC(C)(C)C
342083449	ZINC000238075937	ref	7.13	-46.63	-1	295.31	1.922	0	4	5	O=C([O-])CCN(C(=O)c1ccccc1F)C1CCOCC1
342083450	ZINC000625336703	ref	2.95	-11.93	0	251.392	1.911	1	3	10	CCCCS(=O)(=O)NC[C@@H](CCC)OCC
342083451	ZINC000625336668	ref	0.65	-7.01	0	281.356	1.309	1	6	5	C[C@@H](O)C[C@H]1COCCN1Cc1noc(C2CCC2)n1
342083452	ZINC000625336428	ref	6.41	-37.77	1	292.431	1.875	1	5	7	CCN(C[C@H]1CCC[N@@H+]1CC)[C@H](C)c1nnnn1C1CC1
342083453	ZINC000625336428	mid	5.31	-45.35	1	292.431	1.875	1	5	7	CCN(C[C@H]1CCC[N@H+]1CC)[C@H](C)c1nnnn1C1CC1
365623591	ZINC000121894293	ref	6.87	-5.44	0	276.384	2.302	1	5	4	C[C@H]1CN(c2cc(NCC3CC3)ncn2)CC(C)(C)O1
178293235	ZINC000082786676	ref	5.24	-6.88	0	252.115	2.304	2	2	1	N=C1CCC(c2ccccc2Br)=NN1
178293237	ZINC000082786676	mid	5.18	-34.77	1	252.115	2.304	2	1	1	[NH2+]=C1CCC(c2ccccc2Br)=NN1
365623605	ZINC000121894293	low	7.34	-32.35	1	276.384	2.302	1	4	4	C[C@H]1CN(c2cc(NCC3CC3)[nH+]cn2)CC(C)(C)O1
342083454	ZINC000625336469	ref	-0.54	-7.25	0	294.399	1.224	2	5	5	C[C@H]1C[N@H+](C[C@@H](C)O)CCN1Cc1noc(C2CCC2)n1
365623611	ZINC000121894293	low	7.21	-30.39	1	276.384	2.302	1	4	4	C[C@H]1CN(c2cc(NCC3CC3)nc[nH+]2)CC(C)(C)O1
342083455	ZINC000625336469	mid	1.74	-35.07	1	294.399	1.224	2	5	5	C[C@H]1C[N@@H+](C[C@@H](C)O)CCN1Cc1noc(C2CCC2)n1
342083456	ZINC000625336469	mid	-0.54	-7.25	0	294.399	1.224	1	6	5	C[C@H]1CN(C[C@@H](C)O)CCN1Cc1noc(C2CCC2)n1
365623617	ZINC000121845751	ref	7.44	-18.02	0	292.379	2.072	1	3	8	CCCCc1ccc(NC(=O)CN(C)C(=O)COC)cc1
342083457	ZINC000625336363	ref	4.34	-31.99	1	283.46	1.513	1	3	7	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)CN1CCOCC1
342083458	ZINC000625336363	mid	4.16	-32.06	1	283.46	1.513	1	3	7	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)CN1CCOCC1
342083459	ZINC000625336363	mid	7.39	-85.75	2	283.46	1.513	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)[C@@H](C)CN1CCOCC1
342083460	ZINC000625336363	mid	7.35	-84.06	2	283.46	1.513	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)[C@@H](C)CN1CCOCC1
365623630	ZINC000121846082	ref	5.19	-9.49	0	287.262	2.426	1	4	6	COC(=O)C[C@H](C)C(=O)Nc1ccccc1OC(F)F
365623644	ZINC000121963894	ref	5.88	-8.26	0	276.723	2.132	1	2	2	C=C(Cl)CN1C(=O)N[C@@]2(CCc3ccccc32)C1=O
365623657	ZINC000121867538	ref	3.73	-11.16	0	292.364	2.07	1	6	3	CCN1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
342083461	ZINC000625336363	low	7.39	-85.75	2	283.46	1.513	2	2	7	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@@H](C)C[NH+]1CCOCC1
342083462	ZINC000625336363	low	7.35	-84.06	2	283.46	1.513	2	2	7	CCN(C[C@@H]1CCC[N@H+]1CC)[C@@H](C)C[NH+]1CCOCC1
365623673	ZINC000121867538	mid	6.24	-44.17	1	292.364	2.07	2	5	3	CC[N@@H+]1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
342083463	ZINC000625336785	ref	2.35	-11.8	0	289.401	1.386	1	5	9	CCC[C@@H](CNS(=O)(=O)c1cnn(CC)c1)OCC
342083464	ZINC000625336756	ref	3.79	-33.68	1	259.39	1.521	2	3	8	CC(C)C[C@H](CO)[N@H+](C)CCOC1CCOCC1
365639403	ZINC000123655307	high	6.71	-6.46	0	262.397	2.452	0	2	6	C=CCN(CC=C)C(=O)[C@@H](C)N1CCC2(CCC2)C1
365623592	ZINC000274323526	ref	3.98	-22.4	0	294.33	1.789	3	3	3	CC(=O)NC1CCC(NC(=O)Nc2cccc(F)n2)CC1
342598748	ZINC000590819409	mid	3.53	-26.27	0	275.337	1.405	2	4	2	Cc1csc(CNC(=O)N=c2[nH]n(C)cc2C#N)c1
342598749	ZINC000590819747	ref	3.79	-47.98	-1	291.355	1.184	1	4	4	CCOC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCCC1
214176724	ZINC000337605717	low	7.21	-40.13	1	282.384	0.925	1	3	7	CC(=O)CCC(=O)N(CC1CC1)C[C@@H]1C[N@@H+](C)CCO1
342598750	ZINC000590819747	mid	3.06	-26.05	0	291.355	1.184	2	4	4	CCOC1(CNC(=O)N=c2[nH]n(C)cc2C#N)CCCC1
365623599	ZINC000274318633	ref	4.9	-14.99	0	265.309	1.53	0	4	5	CN(C)C(=O)c1ccccc1OCCC1OCCO1
349533200	ZINC000594964683	ref	3.56	-12.82	0	275.801	2.712	1	2	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1
365623607	ZINC000274321693	ref	1.95	-13.62	0	277.28	1.069	3	4	4	COC(=O)C1(C(=O)Nc2cccc(NC(N)=O)c2)CC1
365623615	ZINC000274322059	ref	2.36	-10.5	0	250.302	1.556	2	4	2	CC1(C)C[C@H](NC(=O)Nc2cncnc2)CCO1
342598751	ZINC000616986303	ref	6.71	-16.37	0	283.372	1.308	0	3	7	CC[C@@H](C)N(CC)C(=O)CCCN1C(=O)CN(C)C1=O
342598752	ZINC000590819831	ref	4.86	-46.96	-1	261.329	1.127	1	3	3	CC(C)[C@@H]1C[C@H]1CNC(=O)N=c1[n-]n(C)cc1C#N
342598753	ZINC000590819831	mid	4.17	-26.57	0	261.329	1.127	2	3	3	CC(C)[C@@H]1C[C@H]1CNC(=O)N=c1[nH]n(C)cc1C#N
365623622	ZINC000637717532	ref	4.79	-10.63	0	263.345	1.105	1	4	4	CC[C@@H](C)N(C)C(=O)NC1CN(c2ccncn2)C1
365623627	ZINC000274323643	ref	6.33	-11.34	0	297.351	1.25	0	6	5	CCOC(=O)[C@H]1CCCN1C[C@@H]1CC(C(=O)OC)=C(C)O1
398246742	ZINC000097153354	ref	8.72	-37.07	1	235.375	2.617	1	2	6	CC[N@H+](CCCc1cnn(C)c1)C1CCCC1
282120454	ZINC000192698032	ref	6.7	-39.95	1	298.427	2.003	2	3	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)NC1CCCC1)C(=O)OC
282120462	ZINC000192698032	high	5.75	-8.62	0	298.427	2.003	2	4	8	CCC(CC)(CN[C@@H](C)C(=O)NC1CCCC1)C(=O)OC
282120469	ZINC000422799420	ref	8.51	-109.93	2	274.452	3.332	2	0	7	CCC(CC)(C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1
178293258	ZINC000049453915	ref	7.35	-12.0	0	235.337	3.223	1	4	0	Cc1cc2c(cc3c(=S)[nH]nc(C)n32)s1
342598754	ZINC000590819402	ref	5.23	-47.43	-1	275.356	1.661	1	3	3	CC[C@H]1CCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N
342598755	ZINC000590819402	mid	4.69	-26.78	0	275.356	1.661	2	3	3	CC[C@H]1CCC[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N
342598756	ZINC000590819438	ref	4.87	-47.6	-1	275.356	1.661	1	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC2(C)C)[n-]1
342598757	ZINC000590819438	mid	4.17	-26.61	0	275.356	1.661	2	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC2(C)C)[nH]1
398246745	ZINC000097153354	mid	8.73	-37.03	1	235.375	2.617	1	2	6	CC[N@@H+](CCCc1cnn(C)c1)C1CCCC1
178293260	ZINC000005135026	ref	6.92	-57.91	-1	247.21	0.635	0	7	2	Cc1cc2c(cc3c(=O)n(CC(=O)[O-])ncn32)o1
178293261	ZINC000217646749	ref	3.45	-6.25	0	202.2	2.449	1	2	1	Cc1cc2c(o1)C[C@@H](C(F)F)C[C@@H]2O
178293262	ZINC000062011358	ref	9.67	-53.93	1	246.354	2.41	1	2	4	Cc1cc2c(n1CC[N@@H+](C)C1CC1)CCCC2=O
178293263	ZINC000062011358	mid	9.66	-53.8	1	246.354	2.41	1	2	4	Cc1cc2c(n1CC[N@H+](C)C1CC1)CCCC2=O
178293264	ZINC000062011358	high	7.37	-10.61	0	246.354	2.41	0	3	4	Cc1cc2c(n1CCN(C)C1CC1)CCCC2=O
178293265	ZINC000217646668	ref	3.45	-6.43	0	202.2	2.449	1	2	1	Cc1cc2c(o1)C[C@H](C(F)F)C[C@@H]2O
398246748	ZINC000335883017	ref	5.27	-16.42	0	223.232	1.546	1	3	2	C[C@H]1C[C@@H](C)N1C(=O)c1cc([N+](=O)[O-])c[nH]1
398246752	ZINC000076770546	ref	6.78	-41.65	1	219.332	2.662	1	2	4	CC(C)n1cc(C[NH2+][C@H]2CC=CCC2)cn1
398246755	ZINC000076766864	ref	6.28	-7.28	0	245.301	2.338	1	3	4	Cn1ccnc1CNC1(c2ccccc2F)CC1
178293269	ZINC000075619835	ref	7.63	-47.66	-1	210.298	2.735	0	3	1	Cc1cc2c(s1)CCC[C@@]2(C)C(=O)[O-]
178293270	ZINC000002511566	ref	0.76	-9.98	0	217.271	0.831	0	4	0	Cc1cc2c(s1)S(=O)(=O)N(C)C2=O
178293271	ZINC000004052383	ref	9.08	-15.25	0	233.271	3.142	0	4	2	Cc1cc2c(ncn2C(C)C)c([N+](=O)[O-])c1C
349533202	ZINC000621481823	ref	10.0	-12.47	0	277.408	3.405	0	2	5	Cc1ccc(COCC(=O)N(C)[C@@H](C)C(C)(C)C)cc1
349533208	ZINC000621481122	ref	5.58	-16.12	0	298.346	3.285	1	4	5	CCN(C(=O)Nc1ccc(Oc2cccnn2)cc1)C1CC1
349533215	ZINC000621481824	ref	9.6	-10.15	0	277.408	3.405	0	2	5	Cc1ccc(COCC(=O)N(C)[C@H](C)C(C)(C)C)cc1
365623597	ZINC000617374982	ref	2.27	-14.07	0	272.345	0.023	1	4	6	COC[C@@H](NC(=O)CN(C)C(C)=O)C1CCOCC1
178293272	ZINC000013720516	ref	5.95	-17.02	0	245.307	2.16	0	5	0	Cc1cc2c(nc1C)sc1c(=O)n(C)cnc12
365623604	ZINC000617376547	ref	2.31	-10.2	0	267.329	0.591	1	5	5	COC[C@@H](NC(=O)c1cnn(C)c1)C1CCOCC1
365623616	ZINC000617375501	ref	2.86	-11.38	0	298.383	0.413	1	4	5	COC[C@H](NC(=O)[C@@H]1CCN(C)C(=O)C1)C1CCOCC1
282120456	ZINC000171474306	ref	5.54	-20.79	0	323.356	0.802	2	6	2	Cc1nc2n(n1)C[C@H](N/C=C1/C(=O)NC(=O)c3ccccc31)CC2
282120465	ZINC000171474306	high	3.79	-62.4	-1	323.356	0.802	1	6	2	Cc1nc2n(n1)C[C@H](N/C=C1/C(=O)[N-]C(=O)c3ccccc31)CC2
178293273	ZINC000037118580	ref	7.19	-34.44	1	221.344	3.6	1	1	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+]C(C)C
342598758	ZINC000590820075	ref	4.53	-34.67	1	269.385	1.417	2	3	7	O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1C1CC1
342598759	ZINC000590820075	mid	5.0	-34.82	1	269.385	1.417	2	3	7	O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@@H]1C1CC1
342598760	ZINC000590819753	ref	7.24	-52.21	-1	285.351	1.366	0	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)[n-]1
342598761	ZINC000590819753	mid	6.91	-30.1	0	285.351	1.366	1	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@H](C3CC3)[C@@H]2C2CC2)[nH]1
282120457	ZINC000533445486	low	5.87	-46.84	1	295.408	1.974	2	4	3	O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)Nc1nccs1
282120460	ZINC000533445486	low	5.9	-47.09	1	295.408	1.974	2	4	3	O=C(C[N@H+]1CCC[C@@]2(CCCOC2)C1)Nc1nccs1
342598762	ZINC000590819249	ref	5.73	-47.46	1	294.786	1.961	3	2	5	C[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)[NH+](C)C
342598763	ZINC000590819249	high	3.49	-10.33	0	294.786	1.961	2	3	5	C[C@@H](CNC(=O)NCc1ccc(C#N)c(Cl)c1)N(C)C
214176730	ZINC000337604222	ref	6.33	-45.23	1	287.473	2.157	3	2	6	CC(C)C[C@@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1
342598764	ZINC000590820773	ref	4.14	-11.37	0	296.348	1.789	1	5	2	COC(=O)c1csc(NC(=O)N2CC3(CCOC3)C2)c1
214176735	ZINC000337604222	high	4.25	-7.23	0	287.473	2.157	2	3	6	CC(C)C[C@@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1
342598765	ZINC000590819061	ref	7.03	-94.11	2	255.406	1.175	3	1	6	CCNC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
214176738	ZINC000337603342	ref	7.14	-11.77	0	283.375	3.082	2	2	4	CC[C@H]1C[C@@]1(NC(=O)c1cnc(C)[nH]1)c1cccc(C)c1
214176740	ZINC000337603342	low	7.61	-37.67	1	283.375	3.082	2	1	4	CC[C@H]1C[C@@]1(NC(=O)c1c[nH+]c(C)[nH]1)c1cccc(C)c1
214176745	ZINC000337605749	ref	2.21	-43.3	1	287.404	0.556	4	3	7	C[C@H](C[C@H]1CCCO1)NC(=O)NC[C@@](C)(O)C[NH+](C)C
214176749	ZINC000337605749	high	0.32	-10.58	0	287.404	0.556	3	4	7	C[C@H](C[C@H]1CCCO1)NC(=O)NC[C@@](C)(O)CN(C)C
214176752	ZINC000337602774	ref	1.11	-18.68	0	261.207	0.452	3	4	3	O[C@H](CCN=c1ncnc2[nH][nH]cc1-2)C(F)(F)F
349533203	ZINC000093228121	ref	5.65	-54.33	-1	268.225	0.426	1	6	7	O=C([O-])COCCNC(=O)c1ccccc1[N+](=O)[O-]
342598766	ZINC000590819061	mid	7.04	-92.1	2	255.406	1.175	3	1	6	CCNC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342598767	ZINC000590819061	mid	4.89	-37.94	1	255.406	1.175	2	2	6	CCNC(=O)CN1CCC(C[N@H+](C)C(C)C)CC1
214176756	ZINC000337602774	high	0.96	-30.2	-1	261.207	0.452	2	4	3	O[C@H](CCN=c1ncnc2[nH][n-]cc1-2)C(F)(F)F
214176760	ZINC000337604874	ref	2.48	-9.14	0	268.367	2.014	2	6	4	CCNc1ncc(C(=O)Nc2cnc(C)s2)s1
214176764	ZINC000337605529	ref	6.6	-40.1	1	267.417	2.206	3	1	5	CC(C)C1CCC(NC(=O)NCC[NH+]2CCC2)CC1
365623609	ZINC000639790583	mid	7.05	-48.2	1	284.363	1.507	1	3	3	CN(C)C(=O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
365623613	ZINC000639790583	mid	4.38	-15.72	0	284.363	1.507	0	4	3	CN(C)C(=O)CN1CC[C@@H](c2ccc3cccnc3n2)C1
365623620	ZINC000354684346	ref	6.74	-39.2	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)C1
365623629	ZINC000354684346	mid	6.67	-38.28	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@H]2C)C1
365623636	ZINC000354684346	high	4.3	-8.53	0	281.4	1.289	1	3	3	CO[C@@H]1CCCN(C(=O)N[C@H]2CN(C3CC3)C[C@H]2C)C1
365623641	ZINC000367179170	ref	6.62	-10.0	0	280.299	1.128	0	4	5	CCOC(=O)C1(F)CN(C(=O)CCc2ccccn2)C1
365623653	ZINC000354683479	ref	4.53	-5.13	0	296.411	1.611	2	3	3	CC(C)C1CCC(NC(=O)C(=O)N[C@H]2CCO[C@H]2C)CC1
365623666	ZINC000354682221	ref	6.39	-10.97	0	260.297	1.713	2	4	4	COCC1(C(=O)Nc2nc3cccnc3[nH]2)CCC1
365623678	ZINC000354683065	ref	9.1	-25.72	0	262.313	1.729	1	5	5	CC[C@@H](C)[C@@H](OC)C(=O)Nc1nnc2ccccn12
214176731	ZINC000278475965	mid	5.43	-46.41	1	308.332	3.256	2	4	6	FC(F)c1nnc(N[C@@H](C[NH+]2CCCC2)c2ccccc2)o1
185090295	ZINC000096077522	ref	7.06	-14.47	0	299.374	1.837	0	3	3	O=C(CC1CC1)N1CC[C@]2(CC(=O)N(c3cccnc3)C2)C1
178293274	ZINC000085399180	ref	3.54	-4.94	0	220.19	2.746	1	2	0	Cc1cc2c(o1)C[C@H](C(F)(F)F)C[C@H]2O
178293275	ZINC000002566331	ref	4.1	-14.4	0	204.189	0.172	0	5	0	Cc1cc2c(nn1)CCc1c-2no[n+]1[O-]
398246746	ZINC000650862501	high	6.47	-16.33	0	299.378	1.059	1	5	5	C[C@@]1(NC(=O)Cn2cncn2)CCN(Cc2ccccc2)C1
365623684	ZINC000354684230	ref	8.6	-90.86	2	279.428	1.556	2	1	3	CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C
178293277	ZINC000000329953	ref	8.14	-5.23	0	204.319	4.424	0	2	0	Cc1cc2c(s1)sc1ccccc12
178293278	ZINC000041726914	ref	6.39	-87.2	2	221.348	1.694	2	1	3	Cc1cc2c(n1CC[NH+](C)C)CCC[C@@H]2[NH3+]
398249491	ZINC000370053958	mid	4.97	-34.99	1	235.327	2.169	2	2	2	Cc1ccc(O)c(C[N@@H+]2CCOC[C@H](C)C2)c1
178293280	ZINC000052213953	ref	6.8	-39.2	1	232.371	3.494	1	1	1	Cc1cc2c(n1C1CCC1)CC(C)(C)C[C@@H]2[NH3+]
185090297	ZINC000096077259	ref	1.94	-51.61	1	251.355	0.759	1	3	1	CN1CC(=O)N(c2ccsc2)C[C@@]12CC[NH2+]C2
349533207	ZINC000093227544	ref	4.84	-48.31	-1	279.292	0.455	1	5	6	O=C([O-])COCCNC(=O)[C@@H]1COc2ccccc2C1
178293281	ZINC000049814695	ref	7.25	-4.72	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@@H](C)C[C@H](C)C2
365623689	ZINC000354684230	mid	8.89	-87.45	2	279.428	1.556	2	1	3	CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[NH+]2C[C@H]1C
365623624	ZINC000576549644	ref	0.32	-13.41	0	247.254	0.168	1	6	3	COC(=O)c1ccc(N2CC(CO)C2)c(C#N)n1
365623635	ZINC000576551019	ref	6.06	-9.11	0	208.309	1.578	1	3	2	C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nncn1C
398246749	ZINC000650862907	ref	4.61	-14.18	0	290.367	1.555	2	4	5	Cc1cccc2nc(CNC(=O)N(C)[C@@H](C)CCO)cn12
197597908	ZINC000290109491	ref	3.65	-11.14	0	295.408	2.859	3	4	5	C=C[C@H](CO)NC(=O)Nc1ncc(C2CCCCC2)s1
342083465	ZINC000625336756	mid	4.11	-32.07	1	259.39	1.521	2	3	8	CC(C)C[C@H](CO)[N@@H+](C)CCOC1CCOCC1
197597914	ZINC000290110058	ref	8.49	-54.56	1	297.354	3.085	1	3	4	COC(=O)c1ccc(C[NH2+][C@H]2c3ccccc3O[C@@H]2C)cc1
197597915	ZINC000290110058	mid	7.29	-8.46	0	297.354	3.085	1	4	4	COC(=O)c1ccc(CN[C@H]2c3ccccc3O[C@@H]2C)cc1
282120459	ZINC000248959442	mid	2.76	-46.74	1	305.362	1.445	2	3	8	CC[N@H+](C[C@@H](O)CC(F)(F)F)[C@H](C)CS(=O)(=O)CC
168365332	ZINC000368509061	ref	6.2	-7.43	0	331.456	3.194	0	4	4	CC(=O)c1c(C)cc(C)c(CN2CCOC[C@H]2[C@H]2CCCO2)c1C
168365627	ZINC000042900856	mid	4.65	-33.47	1	178.279	1.637	2	1	3	C[C@@H](N)[C@@H](c1ccccc1)[NH+](C)C
178293282	ZINC000049814694	ref	7.56	-4.54	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@H](C)C[C@H](C)C2
342083466	ZINC000625336207	ref	6.71	-48.09	1	277.412	1.692	1	3	6	CCN(Cc1ccn(C)c(=O)c1)C[C@H]1CCC[N@@H+]1CC
342083467	ZINC000625336207	mid	6.45	-48.06	1	277.412	1.692	1	3	6	CCN(Cc1ccn(C)c(=O)c1)C[C@H]1CCC[N@H+]1CC
342083468	ZINC000625336207	mid	6.71	-48.09	1	277.412	1.692	1	3	6	CCN1CCC[C@@H]1C[N@H+](CC)Cc1ccn(C)c(=O)c1
342083469	ZINC000625336207	mid	6.45	-48.06	1	277.412	1.692	1	3	6	CCN1CCC[C@@H]1C[N@@H+](CC)Cc1ccn(C)c(=O)c1
342083470	ZINC000625336587	ref	3.89	-51.32	1	288.457	1.227	1	3	6	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@H]1CCS(=O)(=O)C1
342083471	ZINC000625336587	mid	4.01	-50.83	1	288.457	1.227	1	3	6	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@H]1CCS(=O)(=O)C1
342083472	ZINC000625336587	mid	3.27	-10.74	0	288.457	1.227	1	3	6	CCN1CCC[C@H]1C[N@H+](CC)C[C@H]1CCS(=O)(=O)C1
342083473	ZINC000625336587	mid	4.01	-50.83	1	288.457	1.227	1	3	6	CCN1CCC[C@H]1C[N@@H+](CC)C[C@H]1CCS(=O)(=O)C1
342083474	ZINC000625336587	high	3.27	-10.74	0	288.457	1.227	0	4	6	CCN(C[C@@H]1CCCN1CC)C[C@H]1CCS(=O)(=O)C1
342083475	ZINC000625336528	ref	3.1	-37.1	1	278.4	1.791	1	4	7	CCN(Cc1cncc(OC)n1)C[C@@H]1CCC[N@@H+]1CC
342083476	ZINC000625336528	mid	2.93	-36.53	1	278.4	1.791	1	4	7	CCN(Cc1cncc(OC)n1)C[C@@H]1CCC[N@H+]1CC
342083477	ZINC000625336205	ref	7.04	-45.59	1	277.412	1.692	1	3	6	CCN(Cc1ccn(C)c(=O)c1)C[C@@H]1CCC[N@@H+]1CC
168365333	ZINC000368509061	low	8.46	-38.56	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOC[C@H]2[C@H]2CCCO2)c1C
178293283	ZINC000237037464	ref	4.02	-56.66	1	357.476	1.3	1	4	6	CC[NH2+]CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1
365623625	ZINC000617376925	ref	2.97	-14.65	0	284.356	0.167	1	4	6	COC[C@H](NC(=O)CN1CCCC1=O)C1CCOCC1
178293286	ZINC000237033868	ref	6.8	-50.2	-1	351.794	1.924	1	7	7	CC[C@H](NC(=O)[C@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)[O-]
178293289	ZINC000237039485	ref	0.9	-57.91	1	351.451	1.083	1	6	6	CCO[C@@H](C)c1noc(CN2CCN(C(=O)C3([NH3+])CCCC3)CC2)n1
178293291	ZINC000237039485	high	1.1	-11.03	0	351.451	1.083	1	7	6	CCO[C@@H](C)c1noc(CN2CCN(C(=O)C3(N)CCCC3)CC2)n1
178293293	ZINC000237021067	ref	3.31	-59.48	1	359.43	1.842	3	5	8	CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1
178293296	ZINC000237021067	high	2.98	-24.75	0	359.43	1.842	3	6	8	CC[C@@H](C)[C@@H](N)C(=O)Nc1cnn(CC(=O)Nc2ccc(OC)cc2)c1
365623634	ZINC000617375753	ref	3.42	-10.55	0	291.351	0.839	1	4	5	CCOC1CCN(C(=O)CNC(=O)c2ccncc2)CC1
214176733	ZINC000278474603	ref	7.27	-10.12	0	308.389	2.302	1	6	4	Cn1ncc2c(N3CC[C@@H](CNc4ccccn4)C3)ccnc21
214176737	ZINC000278474603	low	7.74	-38.24	1	308.389	2.302	1	5	4	Cn1ncc2c(N3CC[C@@H](CNc4cccc[nH+]4)C3)ccnc21
178293297	ZINC000237037200	ref	7.08	-60.43	-1	362.213	1.717	1	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cc(Cl)c(Cl)[nH]1
178293299	ZINC000237038636	ref	3.12	-45.72	1	352.504	1.494	1	5	6	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3CC[NH2+]C3)CC2)cs1
214176742	ZINC000278474030	ref	5.88	-13.52	0	310.369	2.406	0	4	5	COC(C)(C)CC(=O)N1CCC(Oc2ncccc2F)CC1
214176747	ZINC000278474038	ref	8.62	-24.49	0	318.333	2.364	1	6	5	COc1cc(C)cc(NC(=O)Cn2cc([N+](=O)[O-])nc2C)c1C
214176750	ZINC000278473781	ref	3.11	-11.39	0	303.366	1.424	1	6	3	Cc1nc(C)c(C(=O)N[C@H]2CCCN(c3ccnn3C)C2)o1
214176755	ZINC000278474722	ref	9.56	-42.18	1	318.486	3.083	1	2	5	O=C([C@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1)N1CCCCC1
214176757	ZINC000278474722	high	8.51	-9.57	0	318.486	3.083	1	3	5	O=C([C@H](NC[C@@H]1CCSC1)c1ccccc1)N1CCCCC1
178293302	ZINC000237020587	ref	7.06	-60.46	-1	371.231	1.892	1	4	8	CCN(CCC(=O)[O-])C(=O)CCNC(=O)c1ccc(Br)cc1
214176762	ZINC000278475468	ref	2.68	-6.57	0	320.271	1.753	1	6	5	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCCN1CCOCC1
365623628	ZINC000336543213	mid	5.79	-12.5	0	274.364	2.006	0	3	3	CCOc1ccccc1C(=O)N1CCN2CCC1CC2
365623637	ZINC000336543322	ref	5.6	-6.82	0	293.367	2.269	1	4	1	Cc1noc(C)c1NC(=O)C(=O)N1CCCCC(C)(C)C1
349533209	ZINC000594964683	high	3.56	-12.82	0	275.801	2.712	1	3	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(Cl)o2)C1
178293284	ZINC000041726970	ref	6.2	-38.81	1	220.36	3.35	1	1	1	Cc1cc2c(n1C(C)C)CC(C)(C)C[C@H]2[NH3+]
398246751	ZINC000650862907	low	5.06	-33.47	1	290.367	1.555	2	3	5	Cc1cccc2[nH+]c(CNC(=O)N(C)[C@@H](C)CCO)cn12
398246754	ZINC000650864187	ref	3.01	-14.85	0	287.363	1.279	3	2	4	NC(=O)[C@H]1C[C@@H](NC(=O)NC[C@@H]2CCc3ccccc32)C1
178293288	ZINC000061148226	ref	4.91	-40.32	1	234.343	2.169	1	2	2	Cc1cc2c(n1C[C@H]1CCOC1)CCC[C@@H]2[NH3+]
178293290	ZINC000013652040	ref	7.46	-12.02	0	241.29	3.21	0	3	0	Cc1cc2c(o1)c(C)cc1c(C)cc(=O)n(C)c12
178293292	ZINC000027214473	ref	5.72	-10.97	0	230.267	1.301	0	4	1	Cc1cc2c(n1C)C(=O)C=C(N1C[C@@H]1C)C2=O
178293294	ZINC000049814708	ref	7.42	-4.51	0	209.72	4.044	0	1	0	Cc1cc2c(nc1Cl)[C@H](C)CC[C@H]2C
178293295	ZINC000082359363	ref	2.52	-5.46	0	227.105	2.098	0	2	0	Cc1cc2c(nc1Br)CN(C)C2
398246757	ZINC000650861094	ref	3.56	-16.04	0	273.235	1.313	1	4	5	COCC(=O)NCCc1ccc2c(c1)OC(F)(F)O2
178293300	ZINC000019484671	ref	5.29	-43.97	1	207.317	3.196	1	1	0	Cc1cc2c(o1)C[C@H](C(C)(C)C)C[C@H]2[NH3+]
178293301	ZINC000049814704	ref	7.26	-4.58	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)C[C@H](C)C[C@H]2C
290623100	ZINC000337149242	ref	4.44	-15.36	0	292.383	2.233	3	3	4	CNC(=O)c1c(NC(=O)C[C@H]2CCC[C@@H](C)C2)n[nH]c1C
178293303	ZINC000026496129	ref	2.09	-10.78	0	233.271	0.705	2	3	0	Cc1cc2c(n1C)CCC[C@@]21NC(=O)NC1=O
178293305	ZINC000026496129	high	0.24	-52.74	-1	233.271	0.705	1	3	0	Cc1cc2c(n1C)CCC[C@@]21NC(=O)[N-]C1=O
178293306	ZINC000104043893	ref	8.77	-36.12	1	249.398	4.237	1	1	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]CC(C)(C)C
214176743	ZINC000293468754	ref	0.7	-21.05	0	374.415	0.335	3	7	9	O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NS(=O)(=O)CC[C@@H]2CCOC2)cc1
178293308	ZINC000019125958	ref	4.1	-11.13	0	203.201	1.386	1	4	0	Cc1cc2c(cc3c(=O)[nH]nc(C)n32)o1
178293309	ZINC000104192660	ref	5.69	-40.29	1	248.37	2.559	1	2	2	Cc1cc2c(n1CC1CCOCC1)CCC[C@H]2[NH3+]
178293311	ZINC000041726919	ref	6.4	-85.89	2	221.348	1.694	2	1	3	Cc1cc2c(n1CC[NH+](C)C)CCC[C@H]2[NH3+]
398249342	ZINC000651463875	ref	11.41	-9.17	0	293.374	3.336	1	5	5	CCc1cccc(CNc2ncnc3c2ncn3C2CC2)c1
365623631	ZINC000274323643	mid	8.29	-42.89	1	297.351	1.25	1	5	5	CCOC(=O)[C@H]1CCC[N@@H+]1C[C@@H]1CC(C(=O)OC)=C(C)O1
214176748	ZINC000053313730	low	5.21	-13.03	0	330.336	3.327	2	6	4	CCCc1cc(=O)c2c(O)c3c(O)cc(OC)cc3c(OC)c2o1
214176751	ZINC000053313730	low	5.15	-19.13	0	330.336	3.327	2	6	4	CCCc1cc(O)c2c(=O)c3c(O)cc(OC)cc3c(OC)c-2o1
290623102	ZINC000492526907	ref	7.82	-10.42	0	281.425	2.422	1	4	8	CCn1ccnc1/C=C/C(=O)NCCSCC(C)C
342598768	ZINC000590819061	mid	4.89	-36.56	1	255.406	1.175	2	2	6	CCNC(=O)CN1CCC(C[N@@H+](C)C(C)C)CC1
342598769	ZINC000207132080	ref	8.03	-44.42	1	288.391	1.725	1	2	3	O=C(C[NH+]1CCC(c2ccccc2)CC1)N1CCOCC1
365623638	ZINC000274323643	mid	8.03	-41.65	1	297.351	1.25	1	5	5	CCOC(=O)[C@H]1CCC[N@H+]1C[C@@H]1CC(C(=O)OC)=C(C)O1
342598770	ZINC000207132080	mid	5.88	-9.41	0	288.391	1.725	0	3	3	O=C(CN1CCC(c2ccccc2)CC1)N1CCOCC1
197597925	ZINC000162876428	ref	5.98	-21.89	0	324.384	2.273	2	4	5	Cc1c(/C=C/C(=O)Nc2cccc(C(=O)NC3CC3)c2)cnn1C
365623642	ZINC000274322037	ref	1.96	-9.65	0	280.324	1.206	1	5	9	CCC(=O)CNC(=O)c1ccc(OCCCOC)nc1
342598771	ZINC000590819922	ref	4.04	-21.22	0	295.339	1.189	2	5	3	CCOC(=O)c1cc(NC(=O)N2CC[C@@H](O)[C@H]2C)cn1C
365623649	ZINC000274322067	ref	2.09	-16.84	0	297.376	1.336	2	4	5	C[C@H](C[S@](C)=O)N(C)C(=O)/C=C/c1ccc(O)c(O)c1
342598772	ZINC000590819286	ref	4.7	-47.64	-1	259.313	1.168	1	3	2	Cn1cc(C#N)c(=NC(=O)NC2(C3(C)CC3)CC2)[n-]1
342598773	ZINC000590819286	mid	4.11	-25.57	0	259.313	1.168	2	3	2	Cn1cc(C#N)c(=NC(=O)NC2(C3(C)CC3)CC2)[nH]1
365623658	ZINC000274319345	ref	4.02	-12.65	0	286.335	1.925	2	5	4	COc1cc2c(cc1NCc1nccn1C)NC(=O)CC2
342598774	ZINC000590819687	ref	4.14	-15.74	0	292.335	1.769	2	4	2	COC(=O)c1cc(NC(=O)N2CC[C@@H](O)[C@H]2C)ccc1C
365623663	ZINC000274319345	low	4.52	-36.84	1	286.335	1.925	2	4	4	COc1cc2c(cc1NCc1[nH+]ccn1C)NC(=O)CC2
342598775	ZINC000590819950	ref	3.45	-8.93	0	263.272	1.684	2	3	1	C[C@@H]1[C@H](O)CCN1C(=O)Nc1ccc(F)cc1C#N
178293304	ZINC000237029286	ref	9.24	-63.14	-1	356.378	1.826	1	5	5	CC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1)C(=O)[O-]
282120461	ZINC000412238763	ref	8.58	-47.51	1	302.418	2.174	1	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2c2ccccc2)C1
365623669	ZINC000274323595	ref	4.44	-13.17	0	294.326	1.431	2	3	8	CCC(=O)CNC(=O)CCCNC(=O)c1ccc(F)cc1
214176753	ZINC000293468754	high	0.43	-37.54	-1	374.415	0.335	2	7	9	O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)[N-]S(=O)(=O)CC[C@@H]2CCOC2)cc1
342083478	ZINC000625336205	mid	7.0	-46.53	1	277.412	1.692	1	3	6	CCN(Cc1ccn(C)c(=O)c1)C[C@@H]1CCC[N@H+]1CC
398246758	ZINC000076766864	low	7.49	-34.38	1	245.301	2.338	1	2	4	Cn1ccnc1C[NH2+]C1(c2ccccc2F)CC1
349533210	ZINC000618807228	ref	7.72	-47.91	1	298.39	1.939	3	2	2	C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1
398246760	ZINC000335883953	ref	4.72	-15.26	0	233.246	1.527	0	3	1	C[C@]1(F)CCN(C(=O)c2ccnc(C#N)c2)C1
214176761	ZINC000293460596	ref	7.32	-12.0	0	367.453	0.91	1	5	3	O=C(NC[C@@H]1CCc2nccn2C1)C(=O)N1CCN(c2ccccc2)CC1
214176766	ZINC000293460596	mid	7.79	-34.94	1	367.453	0.91	1	4	3	O=C(NC[C@@H]1CCc2[nH+]ccn2C1)C(=O)N1CCN(c2ccccc2)CC1
214176769	ZINC000293470225	ref	2.81	-14.01	0	351.403	0.808	3	6	4	COC(=O)c1cc(NC(=O)C(=O)NC[C@]2(O)CCCC2(C)C)cn1C
214176772	ZINC000293465701	ref	9.49	-19.25	0	360.414	0.573	1	7	9	Cc1ccc(CCC(=O)NCCOC(=O)CCn2ncn(C)c2=O)cc1
214176776	ZINC000293471351	ref	2.59	-14.24	0	352.412	0.492	1	5	1	C[C@H]1CN(C(=O)C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)c2ccccc2O1
398246762	ZINC000313441579	ref	5.39	-8.47	0	246.644	2.216	0	2	1	O=C(c1cc(Cl)ccn1)N1CCC(F)(F)C1
214176780	ZINC000293474752	ref	5.81	-18.06	0	361.398	0.92	1	6	3	COC(=O)c1cc(NC(=O)C(=O)N2C[C@]3(CCCO3)[C@H]2C2CC2)cn1C
197597943	ZINC000290109735	ref	5.04	-54.71	1	289.335	1.458	2	4	3	CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc2c(c1)oc(=O)n2C
197597944	ZINC000290109907	ref	4.79	-16.03	0	261.281	1.605	0	6	6	CCOc1cc(C=O)ccc1OCc1cnnn1C
342083479	ZINC000625336205	mid	7.04	-45.59	1	277.412	1.692	1	3	6	CCN1CCC[C@H]1C[N@H+](CC)Cc1ccn(C)c(=O)c1
342083480	ZINC000625336205	mid	7.0	-46.53	1	277.412	1.692	1	3	6	CCN1CCC[C@H]1C[N@@H+](CC)Cc1ccn(C)c(=O)c1
342083481	ZINC000625335888	ref	-0.45	-38.86	1	285.409	1.346	4	4	7	Cc1ccsc1[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1
342083482	ZINC000625335888	high	-1.67	-7.47	0	285.409	1.346	4	5	7	Cc1ccsc1[C@@H](CO)NC[C@@H](O)CC1(O)CCC1
342083483	ZINC000625336476	ref	-0.15	-6.92	0	294.399	1.224	2	5	5	C[C@@H](O)C[N@@H+]1CCN(Cc2noc(C3CCC3)n2)[C@H](C)C1
342083484	ZINC000625336476	mid	1.87	-36.61	1	294.399	1.224	2	5	5	C[C@@H](O)C[N@H+]1CCN(Cc2noc(C3CCC3)n2)[C@H](C)C1
342083485	ZINC000625336476	mid	-0.15	-6.92	0	294.399	1.224	1	6	5	C[C@@H](O)CN1CCN(Cc2noc(C3CCC3)n2)[C@H](C)C1
178293307	ZINC000237039101	ref	8.29	-68.7	-1	356.781	1.874	0	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cccc(F)c1Cl
178293310	ZINC000237021203	ref	4.82	-49.43	1	374.304	1.78	1	3	4	CN(CC(=O)N1CCC[C@@H](C[NH3+])C1)C(=O)c1ccc(Br)s1
214176754	ZINC000053313730	high	7.16	-141.28	-2	330.336	3.327	0	6	4	CCCc1cc([O-])c2c(=O)c3c([O-])cc(OC)cc3c(OC)c-2o1
342598776	ZINC000590820745	ref	2.72	-11.65	0	284.337	1.522	2	5	2	COC(=O)c1csc(NC(=O)N2CC[C@@H](O)[C@H]2C)c1
178293312	ZINC000237033983	ref	4.8	-42.83	1	364.534	1.439	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1)C1CCCCC1
178293315	ZINC000237018577	ref	8.33	-67.22	-1	361.373	1.702	1	4	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc2c(F)cccc2[nH]1
178293319	ZINC000237023443	ref	8.52	-61.41	-1	352.456	1.807	0	5	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)c1cccs1
185090299	ZINC000096079188	ref	9.22	-57.11	1	297.402	2.467	1	2	2	C[NH+](C)[C@H]1CC2(CCN(C(=O)CC#N)CC2)c2ccccc21
185090301	ZINC000096076185	ref	4.78	-38.03	1	281.425	1.687	1	4	2	C[N@@H+]1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1
178293322	ZINC000237027687	ref	4.96	-43.67	1	358.486	1.331	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1
178293325	ZINC000237038544	ref	3.25	-41.04	1	352.504	1.637	1	5	6	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)cs1
178293328	ZINC000237025669	ref	4.77	-43.85	1	360.502	1.705	2	3	7	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC1
178293330	ZINC000237025669	high	4.46	-14.64	0	360.502	1.705	2	4	7	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](N)CC(C)C)CC1
178293333	ZINC000237023127	ref	9.51	-63.29	-1	364.417	1.885	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)c1ccc(F)cc1
365623639	ZINC000623050983	low	6.33	-119.57	2	316.449	1.821	3	3	5	O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1
178293335	ZINC000237024190	ref	10.55	-62.77	-1	358.438	1.791	0	4	6	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(Cc2ccccc2)CC1
178293340	ZINC000237029266	ref	3.07	-48.44	1	353.488	1.253	2	3	6	CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1
185090303	ZINC000096076185	mid	5.07	-36.12	1	281.425	1.687	1	4	2	C[N@H+]1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1
365623647	ZINC000623052011	ref	2.38	-11.98	0	317.227	1.814	2	6	4	COc1cc(NC(=O)NCc2cc(C(F)(F)F)on2)ncn1
349533212	ZINC000621225065	ref	3.84	-6.97	0	255.28	2.242	2	2	5	CC(C)(O)CC(=O)NCC(C)(C)CC(F)(F)F
365623640	ZINC000576551019	mid	7.69	-35.91	1	208.309	1.578	1	3	2	C[C@@H]1CCC(C)(C)[N@H+]1Cc1nncn1C
365623645	ZINC000576551019	mid	6.06	-9.11	0	208.309	1.578	0	4	2	C[C@@H]1CCC(C)(C)N1Cc1nncn1C
365623650	ZINC000175920671	ref	5.37	-15.51	0	244.298	1.565	1	4	3	CC(C)[C@](C)(C#N)NC(=O)c1cc(C#N)cn1C
365623656	ZINC000576541870	ref	4.57	-7.02	0	230.327	2.611	2	1	3	CC(C)C(C)(C)NC(=O)N[C@@H]1CC[C@H](F)C1
365623664	ZINC000576550339	ref	3.27	-9.43	0	248.326	1.63	1	3	3	C[C@@H](O)CCN1CCC(=O)N(C)c2ccccc21
365623670	ZINC000576545236	ref	0.49	-13.16	0	232.243	0.434	1	5	4	COc1ccncc1Cn1cc(C(N)=O)cn1
365623675	ZINC000576545236	low	0.95	-43.53	1	232.243	0.434	1	4	4	COc1cc[nH+]cc1Cn1cc(C(N)=O)cn1
365623683	ZINC000576576331	ref	3.85	-8.72	0	241.331	1.341	1	3	5	CCO[C@@H]1C[C@@H]1NC(=O)[C@H]1CCO[C@H]1C(C)C
365623691	ZINC000576541628	ref	5.95	-33.99	1	205.305	2.097	1	2	4	C[C@@H]([N@H+](C)Cc1cnccn1)C1(C)CC1
365623695	ZINC000576541628	mid	5.49	-33.48	1	205.305	2.097	1	2	4	C[C@@H]([N@@H+](C)Cc1cnccn1)C1(C)CC1
365623699	ZINC000576541628	high	3.7	-4.43	0	205.305	2.097	0	3	4	C[C@@H](N(C)Cc1cnccn1)C1(C)CC1
365623703	ZINC000576546106	ref	7.78	-7.06	0	249.314	2.862	0	4	2	C[C@@H]1CN(c2ccc([N+](=O)[O-])nc2)CC(C)(C)C1
365623707	ZINC000576566955	ref	2.9	-11.39	0	240.307	0.052	0	6	6	COCCN(Cc1nncn1C)[C@@H]1CCOC1
290623103	ZINC000492526907	low	8.26	-37.12	1	281.425	2.422	1	3	8	CCn1cc[nH+]c1/C=C/C(=O)NCCSCC(C)C
185091466	ZINC000096081017	ref	7.26	-49.24	1	273.38	1.741	1	2	3	CC(C)C[NH+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@H]2C1
365623717	ZINC000576550506	ref	0.96	-5.18	0	237.303	1.544	1	5	3	C[C@H](O)[C@H]1CCN(c2nc(C3CCC3)no2)C1
214176759	ZINC000053304238	ref	3.68	-20.45	0	343.408	2.335	2	4	4	NC(=O)c1csc(C(=O)Nc2ccccc2C(=O)N2CCCC2)c1
214176763	ZINC000053313617	ref	8.76	-74.49	-1	338.363	1.849	1	4	4	O=C([O-])CN1C(=O)[C@@H](NC(=O)c2ccccc2)CCc2ccccc21
282120463	ZINC000449149817	ref	5.61	-46.8	1	291.37	2.477	2	3	7	CCC[C@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1
365623720	ZINC000576550404	ref	3.66	-10.42	0	231.255	1.263	0	4	2	O=C1c2nccnc2C(=O)N1CC1CCCC1
365623724	ZINC000576547538	ref	2.65	-6.47	0	236.363	1.384	2	3	5	Cn1ccc(CNCC[N@@H+]2CCCC2(C)C)n1
365623727	ZINC000576547538	mid	4.85	-33.63	1	236.363	1.384	2	3	5	Cn1ccc(CNCC[N@H+]2CCCC2(C)C)n1
365623731	ZINC000576547538	high	2.65	-6.47	0	236.363	1.384	1	4	5	Cn1ccc(CNCCN2CCCC2(C)C)n1
365623735	ZINC000576549645	ref	8.01	-6.83	0	242.322	3.696	0	3	3	Cc1cc(C)cc(-c2noc(CC3(C)CC3)n2)c1
349533213	ZINC000093227126	ref	5.11	-50.27	-1	267.281	0.592	1	5	8	CO[C@H](C(=O)NCCOCC(=O)[O-])c1ccccc1
365623643	ZINC000617377253	ref	2.96	-23.84	0	277.386	0.837	0	4	5	CCOC1CCN(C(=O)CS(=O)(=O)C(C)C)CC1
342598777	ZINC000590819251	ref	5.83	-47.48	-1	275.356	1.97	1	3	4	CC(C)=CCC[C@@H](C)NC(=O)N=c1[n-]n(C)cc1C#N
342598778	ZINC000590819251	mid	4.91	-25.44	0	275.356	1.97	2	3	4	CC(C)=CCC[C@@H](C)NC(=O)N=c1[nH]n(C)cc1C#N
197597947	ZINC000290108904	ref	5.33	-11.42	0	258.321	2.854	2	3	3	CCc1c(C(=O)Nc2ccc(O)cc2C)ccn1C
190492256	ZINC000269413218	ref	3.69	-25.73	0	279.34	-0.052	2	3	6	C=CC(=O)NCCC(=O)N1CCC[C@H]1C(=O)NC1CC1
365623652	ZINC000617376838	ref	1.51	-12.27	0	280.324	0.959	2	4	5	COC[C@@H](NC(=O)c1ccc(=O)[nH]c1)C1CCOCC1
342598779	ZINC000590820115	ref	7.69	-35.7	1	295.427	1.234	2	2	7	CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@H]1C1CC1
342598780	ZINC000590820115	mid	7.4	-33.76	1	295.427	1.234	2	2	7	CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@H]1C1CC1
197597950	ZINC000290109773	ref	2.95	-10.92	0	265.313	0.917	0	5	3	CN(C[C@H]1CCCCO1)C(=O)c1cc2n(n1)CCO2
342598781	ZINC000590820115	high	5.33	-12.8	0	295.427	1.234	1	3	7	CCN(CC(=O)NC(C)C)C(=O)CN1CCC[C@H]1C1CC1
342598782	ZINC000590819655	ref	4.08	-48.62	-1	283.282	1.271	1	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC2(F)F)[n-]1
349533218	ZINC000093228127	ref	3.52	-50.65	-1	283.28	0.535	1	6	8	COc1ccc(C(=O)NCCOCC(=O)[O-])cc1OC
365623659	ZINC000617383678	ref	7.55	-22.3	0	290.323	0.581	0	6	3	Cn1cnn(CC(=O)N2CCC(c3ccco3)CC2)c1=O
349533223	ZINC000093227630	ref	4.14	-51.84	-1	283.28	0.291	1	6	9	COc1ccc(OCC(=O)NCCOCC(=O)[O-])cc1
365623671	ZINC000617386964	ref	1.61	-24.22	0	298.364	0.677	1	4	2	O=C([C@@H]1CCS(=O)(=O)N1)N1CCC(c2ccco2)CC1
342598783	ZINC000590819655	mid	3.54	-30.17	0	283.282	1.271	2	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC2(F)F)[nH]1
342598784	ZINC000624159107	ref	4.86	-4.11	0	291.273	1.763	1	5	3	COc1cc(C(F)(F)F)nc(N[C@H]2CCOC[C@H]2C)n1
197597955	ZINC000290109729	ref	3.45	-10.43	0	259.309	1.272	2	4	4	C[C@@H](NC(=O)c1ccnn1C)[C@H](O)c1ccccc1
178293316	ZINC000041730882	ref	1.58	-43.03	1	221.304	1.179	2	2	2	Cc1cc2c(n1[C@@H](C)C(N)=O)CCC[C@H]2[NH3+]
342598785	ZINC000590819895	ref	5.97	-51.2	-1	295.346	1.781	1	3	2	Cn1cc(C#N)c(=NC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[n-]1
342598786	ZINC000590819895	mid	5.72	-24.96	0	295.346	1.781	2	3	2	Cn1cc(C#N)c(=NC(=O)N[C@]2(C)C[C@H]2c2ccccc2)[nH]1
168365335	ZINC000368509061	low	9.7	-41.25	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@H+]2CCOC[C@H]2[C@H]2CCCO2)c1C
349533214	ZINC000618807228	mid	7.18	-45.81	1	298.39	1.939	3	2	2	C[N@H+]1CCC[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1
349533219	ZINC000618807228	high	4.82	-11.71	0	298.39	1.939	2	3	2	CN1CCC[C@@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1
214176765	ZINC000278475468	low	5.09	-50.15	1	320.271	1.753	2	5	5	O=[N+]([O-])c1cnc(C(F)(F)F)cc1NCC[NH+]1CCOCC1
178293317	ZINC000094080451	ref	5.04	-40.49	1	248.37	2.553	2	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CC[NH2+]C1
178293318	ZINC000094080451	low	6.05	-117.12	2	248.37	2.553	2	1	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1CC[NH2+]C1
214176770	ZINC000278474615	ref	5.56	-13.8	0	311.385	3.057	2	3	4	COc1ccc(CNc2ccc3c(c2)N(C(N)=O)CC3)cc1C
214176781	ZINC000278474590	ref	6.22	-50.59	1	323.795	3.449	2	2	7	COCc1cccc(C[NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)c1
214176783	ZINC000278474590	high	4.8	-6.41	0	323.795	3.449	2	3	7	COCc1cccc(CNC[C@@H](O)c2cc(F)cc(Cl)c2)c1
214176786	ZINC000278475721	ref	9.22	-41.47	1	324.428	2.191	1	4	6	C#CCOc1ccccc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1
178293320	ZINC000090377010	ref	11.0	-4.57	0	239.362	4.285	0	1	2	Cc1cc2c(n1[C@@H](C)c1ccccc1)CCCC2
178293321	ZINC000019484669	ref	5.22	-44.82	1	207.317	3.196	1	1	0	Cc1cc2c(o1)C[C@H](C(C)(C)C)C[C@@H]2[NH3+]
398246764	ZINC000651454472	ref	8.85	-7.67	0	252.402	3.395	1	1	4	CC(C)CN(C(=O)NC1CC2(CCC2)C1)C(C)C
199273199	ZINC000181259607	ref	4.53	-14.37	0	319.735	2.544	1	3	6	O=C(NCCCO[C@H]1CCOC1)c1ccc(F)c(Cl)c1F
398246766	ZINC000651454423	ref	8.59	-8.78	0	294.439	3.31	1	2	4	CCCO[C@@H]1CCCN(C(=O)NC2CC3(CCC3)C2)CC1
214176789	ZINC000278475721	high	8.03	-7.29	0	324.428	2.191	1	5	6	C#CCOc1ccccc1CN[C@H]1CCCN(c2ccnn2C)C1
214176792	ZINC000278473808	ref	3.25	-16.35	0	320.271	1.028	2	5	4	COC(=O)C1(NC(=O)N[C@H](c2cnn(C)c2)C(F)(F)F)CC1
214176796	ZINC000278475668	ref	4.03	-14.13	0	311.363	1.53	0	8	8	COCCn1ccc(C(=O)O[C@H](COC)c2nccs2)n1
398249551	ZINC000381271466	ref	6.35	-31.04	0	213.302	2.009	1	3	5	CC[C@H]([NH2+]Cc1csc(C)c1)C(=O)[O-]
178293326	ZINC000085399185	ref	6.02	-7.57	0	218.174	2.895	0	2	0	Cc1cc2c(o1)C[C@@H](C(F)(F)F)CC2=O
178293327	ZINC000000495248	ref	7.69	-6.71	0	213.305	4.066	0	2	0	Cc1cc2c(sc3ccccc32)c(C)n1
214176799	ZINC000278474578	ref	4.22	-10.29	0	320.37	1.286	2	6	6	Cc1cc(C(=O)NC[C@H](O)C(=O)OCc2ccccc2)ns1
178293329	ZINC000082788585	ref	7.26	-4.64	0	270.557	4.268	0	1	0	Cc1cc(Br)nc2c(C)cc(Cl)cc12
342083486	ZINC000625344710	ref	8.1	-42.05	1	268.401	1.744	1	2	7	CCO[C@@H](C[N@@H+]1CCN(CC)C(=O)[C@H]1CC)C1CC1
365623646	ZINC000336543293	ref	6.09	-14.97	0	288.347	2.177	1	3	3	C[C@@H]1C[C@H](C(=O)Nc2ccccc2N2CCCC2=O)CO1
342083487	ZINC000625344710	mid	7.69	-41.67	1	268.401	1.744	1	2	7	CCO[C@@H](C[N@H+]1CCN(CC)C(=O)[C@H]1CC)C1CC1
342083488	ZINC000625344710	mid	6.01	-7.45	0	268.401	1.744	0	3	7	CCO[C@@H](CN1CCN(CC)C(=O)[C@H]1CC)C1CC1
365623651	ZINC000336543356	ref	5.44	-6.88	0	267.379	2.489	0	5	3	Cc1nnc(C(=O)N(C)Cc2sccc2C)s1
342083489	ZINC000625336440	ref	3.62	-11.65	0	292.383	1.684	1	5	4	CC(=O)N1CC[C@@H](NCc2noc(C3CCC3)n2)[C@H](C)C1
282120464	ZINC000248959442	mid	3.01	-47.52	1	305.362	1.445	2	3	8	CC[N@@H+](C[C@@H](O)CC(F)(F)F)[C@H](C)CS(=O)(=O)CC
282120468	ZINC000248957985	ref	4.33	-12.56	0	324.429	1.601	0	7	2	C[C@H]1CN([C@H](C)c2nnnn2C)C[C@H](C)N1C(=O)OC(C)(C)C
342083490	ZINC000625336440	mid	4.58	-47.58	1	292.383	1.684	1	4	4	CC(=O)N1CC[C@@H]([NH2+]Cc2noc(C3CCC3)n2)[C@H](C)C1
282120481	ZINC000248956649	ref	3.4	-12.16	0	314.794	1.603	1	4	3	C[C@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1CO
365623660	ZINC000336543066	ref	4.94	-10.68	0	295.766	2.113	1	3	3	O=C(Cc1cc(Cl)cc2c1OCC2)NC1CCOCC1
365623667	ZINC000336542709	ref	8.5	-10.15	0	277.339	2.394	0	2	3	C[C@@H]1CN(C(=O)Cc2cccc(F)c2)C[C@@H](C2CC2)O1
365638827	ZINC000625087939	ref	5.92	-48.82	1	301.312	2.201	1	3	3	CC(=O)N[C@H]1CCCN(Cc2cccnc2C(F)(F)F)C1
342083491	ZINC000625335878	ref	5.47	-15.42	0	288.338	1.939	1	2	3	CC[C@H]1C(=O)NCCN1C(=O)CC1CCC(F)(F)CC1
365638828	ZINC000625087939	low	6.46	-46.84	1	301.312	2.201	2	2	3	CC(=O)N[C@H]1CCC[N@H+](Cc2cccnc2C(F)(F)F)C1
342083492	ZINC000238078606	ref	3.43	-40.42	1	289.379	1.604	2	3	3	O=C(Nc1cccc(N2CCOCC2)c1)[C@H]1CCCC[NH2+]1
178293352	ZINC000082788530	ref	7.23	-7.61	0	270.557	4.268	0	1	0	Cc1cc(Br)c2nc(Cl)cc(C)c2c1
342600627	ZINC000401680492	mid	4.53	-32.03	1	273.373	1.192	2	4	7	CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@](CO)(OC)C1
365638829	ZINC000625087939	low	5.92	-48.82	1	301.312	2.201	2	2	3	CC(=O)N[C@H]1CCC[N@@H+](Cc2cccnc2C(F)(F)F)C1
349533216	ZINC000594966486	ref	7.08	-40.03	1	281.444	2.596	3	1	4	C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1
365638831	ZINC000625088811	ref	5.63	-10.2	0	310.36	2.146	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@H+](CC)C[C@@H]1CCOC1
365638833	ZINC000625088811	mid	7.46	-41.9	1	310.36	2.146	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@@H+](CC)C[C@@H]1CCOC1
349533220	ZINC000621224537	ref	5.17	-14.26	0	277.29	2.057	1	3	5	Cn1ccc(CC(=O)NCC(C)(C)CC(F)(F)F)n1
342598787	ZINC000590819553	ref	6.83	-52.71	-1	287.367	1.756	0	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)[n-]1
214176767	ZINC000053312541	ref	8.3	-13.8	0	332.812	3.596	0	4	3	CS(=O)(=O)c1ccc(-n2cncc2-c2ccc(Cl)cc2)cc1
214176768	ZINC000053312541	low	8.81	-46.21	1	332.812	3.596	0	3	3	CS(=O)(=O)c1ccc(-n2c[nH+]cc2-c2ccc(Cl)cc2)cc1
398246765	ZINC000076761319	ref	7.74	-47.22	1	249.379	2.805	1	2	6	CSCCC[NH2+]CC1=Cc2ccccc2OC1
365623654	ZINC000623051960	ref	2.72	-12.73	0	313.354	1.404	1	4	1	O=C(Nc1ccc(F)cn1)N1CCS(=O)(=O)[C@@H]2CCC[C@@H]21
178293331	ZINC000002582293	ref	8.53	-42.41	-1	249.31	2.426	0	4	3	Cc1cc2c(n1CCC(=O)[O-])CC(C)(C)CC2=O
365623661	ZINC000623051612	ref	-2.58	-12.09	0	308.256	1.102	4	4	5	COc1ccc(NC(=O)NC(CO)(CO)C(F)(F)F)cc1
365623668	ZINC000623053517	ref	4.72	-42.46	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1
398246767	ZINC000335874460	ref	3.59	-13.3	0	230.267	1.887	1	3	1	C[C@H]1C[C@H](C)N1C(=O)c1ccc(C#N)c(O)c1
398246769	ZINC000335874460	mid	4.37	-51.04	-1	230.267	1.887	0	3	1	C[C@H]1C[C@H](C)N1C(=O)c1ccc(C#N)c([O-])c1
342598788	ZINC000590819553	mid	6.14	-27.97	0	287.367	1.756	1	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@H]3CCC[C@H]32)[nH]1
178293338	ZINC000104192658	ref	5.68	-40.4	1	248.37	2.559	1	2	2	Cc1cc2c(n1CC1CCOCC1)CCC[C@@H]2[NH3+]
210256185	ZINC000004712280	ref	1.64	-44.64	-1	338.263	1.422	1	7	5	CC(=O)C(=NNc1ccc(S(=O)(=O)[O-])cc1)C(=O)C(F)(F)F
214176775	ZINC000053307127	ref	6.02	-19.38	0	341.342	2.189	2	3	3	C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1
214176777	ZINC000053318061	ref	6.84	-14.74	0	332.4	1.785	1	4	6	CC(=O)c1ccc(OCC(=O)N[C@H](C)C(=O)N2CCCCC2)cc1
210256189	ZINC000004712280	high	0.82	-84.38	-2	338.263	1.422	0	7	4	CC(=O)C(N=Nc1ccc(S(=O)(=O)[O-])cc1)=C([O-])C(F)(F)F
398246771	ZINC000335875246	ref	4.22	-8.18	0	234.299	1.639	0	3	1	Cc1cnccc1C(=O)N1CCO[C@@H](C)[C@H]1C
210256194	ZINC000004712280	high	0.91	-84.48	-2	338.263	1.422	0	7	4	CC([O-])=C(N=Nc1ccc(S(=O)(=O)[O-])cc1)C(=O)C(F)(F)F
398246775	ZINC000076769096	ref	5.67	-35.23	1	239.34	2.256	1	3	5	CSC[C@H](C)[NH2+]Cc1cccc2c1OCO2
178293341	ZINC000006070461	ref	3.85	-8.16	0	244.29	3.575	2	3	1	Cc1cc2c3c(c(O)c(O)c(C(C)C)c3c1)CO2
398246777	ZINC000076769096	high	4.47	-5.93	0	239.34	2.256	1	4	5	CSC[C@H](C)NCc1cccc2c1OCO2
282120466	ZINC000533447283	ref	7.47	-43.61	1	273.336	1.305	1	4	3	C[N@H+](Cc1cc(=O)n2ccccc2n1)C1CCOCC1
282120470	ZINC000533447283	mid	6.92	-42.8	1	273.336	1.305	1	4	3	C[N@@H+](Cc1cc(=O)n2ccccc2n1)C1CCOCC1
185090304	ZINC000096076185	high	2.99	-3.7	0	281.425	1.687	0	5	2	CN1CCOC[C@]2(CCCN(Cc3nccs3)C2)C1
342598789	ZINC000590819555	ref	6.5	-52.44	-1	287.367	1.756	0	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[n-]1
342598790	ZINC000590819555	mid	5.84	-29.45	0	287.367	1.756	1	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@@H]3CCC[C@H]32)[nH]1
342598791	ZINC000590819298	ref	3.76	-48.12	-1	271.271	1.271	1	3	4	Cn1cc(C#N)c(=NC(=O)NCCCC(C)(F)F)[n-]1
365623662	ZINC000172822486	low	6.97	-48.5	1	287.367	1.712	1	5	3	Cc1nccc(N2CC[NH+](Cc3c(C)noc3C)CC2)n1
342598792	ZINC000590819298	mid	3.22	-27.37	0	271.271	1.271	2	3	4	Cn1cc(C#N)c(=NC(=O)NCCCC(C)(F)F)[nH]1
214176774	ZINC000337605529	mid	3.42	-8.55	0	267.417	2.206	2	2	5	CC(C)C1CCC(NC(=O)NCCN2CCC2)CC1
365623665	ZINC000172822486	low	7.41	-95.17	2	287.367	1.712	1	4	3	Cc1nc(N2CC[NH+](Cc3c(C)noc3C)CC2)cc[nH+]1
365623672	ZINC000172827213	ref	1.26	-10.36	0	283.397	1.097	1	5	4	CC(=O)NC[C@H]1CN(Cc2sc(C)nc2C)CCO1
342598793	ZINC000590819084	ref	5.01	-43.29	1	260.403	1.142	1	2	6	CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H]1C1CC1
342598794	ZINC000590819084	mid	5.49	-42.45	1	260.403	1.142	1	2	6	CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H]1C1CC1
342598795	ZINC000590819644	ref	8.2	-49.76	-1	297.362	1.728	0	3	3	Cc1ccccc1CCN(C)C(=O)N=c1[n-]n(C)cc1C#N
197597964	ZINC000290109987	ref	5.24	-6.45	0	277.364	2.054	1	3	5	COCC1(C(=O)NCc2ccc(C)cc2)CCOCC1
185090305	ZINC000096076102	ref	5.33	-14.64	0	284.367	1.065	0	6	3	Cn1ccc(CN2CC[C@]23CCN(c2ncccn2)C3)n1
342598796	ZINC000590819644	mid	7.29	-29.63	0	297.362	1.728	1	3	3	Cc1ccccc1CCN(C)C(=O)N=c1[nH]n(C)cc1C#N
342598797	ZINC000590819731	ref	5.95	-16.32	0	299.334	1.929	2	5	4	CCc1ccc(NC(=O)Nc2nn(C)cc2C#N)cc1OC
168365337	ZINC000368508391	ref	6.0	-6.52	0	333.378	3.462	1	3	5	O[C@H](CCN1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1
168365629	ZINC000042900856	low	4.92	-109.19	2	178.279	1.637	2	0	3	C[C@@H]([NH3+])[C@@H](c1ccccc1)[NH+](C)C
342598798	ZINC000590819868	ref	8.17	-18.07	0	281.319	1.617	1	4	1	Cc1ccc2c(c1)N(C(=O)Nc1nn(C)cc1C#N)CC2
342598799	ZINC000590820076	ref	4.94	-35.21	1	269.385	1.417	2	3	7	O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]1C1CC1
178293342	ZINC000237029266	high	2.7	-15.69	0	353.488	1.253	2	4	6	CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1
178293345	ZINC000237031008	ref	11.28	-62.48	-1	372.465	1.89	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccc2c(c1)CCCC2
349533221	ZINC000621480413	ref	9.16	-9.15	0	289.423	3.26	0	3	2	C[C@@H]1CCCC[C@H]1N(C)C(=O)c1cnc2n1CCCCC2
398246768	ZINC000651453452	ref	7.76	-12.92	0	289.379	3.162	1	3	2	Cc1cc([C@@H]2CCCN2C(=O)NC2CC3(CCC3)C2)on1
178293348	ZINC000237027309	ref	3.19	-55.52	1	367.515	1.223	2	3	6	CCS(=O)(=O)N1CCC(C(=O)NCC(C)(C)[NH3+])(c2ccccc2)CC1
178293350	ZINC000237026851	ref	4.99	-48.91	1	367.515	1.048	1	3	7	CCS(=O)(=O)N1CCC(C(=O)N(C)CC[NH2+]C)(c2ccccc2)CC1
178293354	ZINC000237034901	ref	4.45	-16.04	0	351.472	1.61	1	4	3	CCS(=O)(=O)N1CCC(C(=O)N2CCCc3c(N)cccc32)CC1
214176782	ZINC000053312576	ref	7.89	-44.92	1	329.375	2.791	1	3	3	C[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
214176785	ZINC000053312576	mid	7.77	-43.13	1	329.375	2.791	1	3	3	C[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
178293357	ZINC000237019220	ref	2.23	-47.15	1	371.684	1.999	2	3	7	CC[NH2+]CCNS(=O)(=O)c1cc(Cl)c(OC)cc1Br
214176787	ZINC000053312576	mid	5.87	-10.28	0	329.375	2.791	0	4	3	CN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
214176790	ZINC000053313757	ref	6.91	-12.82	0	331.173	3.281	2	3	2	Cc1cccc(C(=O)Nc2[nH]nc3ncc(Br)cc23)c1
178293362	ZINC000237019220	high	1.84	-38.02	0	371.684	1.999	1	3	7	CC[NH2+]CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Br
230234294	ZINC000354800795	ref	2.72	-8.96	0	270.329	-0.273	0	5	3	COC(=O)[C@H](C)CC(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1
178293364	ZINC000237036159	ref	3.97	-46.91	1	354.52	1.884	1	5	9	CCO[C@@H](C)c1nc(CN2CCN(C(=O)CCC[NH2+]C)CC2)cs1
230234298	ZINC000354800795	low	4.7	-45.13	1	270.329	-0.273	1	4	3	COC(=O)[C@H](C)CC(=O)N1C[C@@H]2OCC[N@H+](C)[C@@H]2C1
230234304	ZINC000354800795	low	5.23	-39.64	1	270.329	-0.273	1	4	3	COC(=O)[C@H](C)CC(=O)N1C[C@@H]2OCC[N@@H+](C)[C@@H]2C1
230234307	ZINC000354812646	ref	2.3	-40.34	1	280.328	-0.781	2	5	4	CCn1cc(C(=O)C(=O)N2C[C@@H](O)[C@H]([NH+](C)C)C2)cn1
230234318	ZINC000354812646	mid	-0.46	-9.68	0	280.328	-0.781	1	6	4	CCn1cc(C(=O)C(=O)N2C[C@@H](O)[C@H](N(C)C)C2)cn1
230234328	ZINC000354676230	ref	1.57	-48.14	1	285.344	-0.686	3	4	8	COC(=O)CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
230234342	ZINC000354771681	ref	2.04	-20.0	0	299.327	-0.633	2	7	8	CCOC(=O)[C@](C)(O)CNC(=O)COCc1ccnn1C
342598800	ZINC000590820076	mid	4.85	-34.69	1	269.385	1.417	2	3	7	O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@H]1C1CC1
214176784	ZINC000337602298	ref	2.5	-16.08	0	255.318	-0.18	1	5	8	CN(CCOCCO)C(=O)CCc1cnn(C)c1
214176788	ZINC000337605107	ref	9.17	-40.57	1	279.428	2.302	2	1	4	CC(C)[NH+]1CCN(C(=O)NCC2(C3CC3)CCC2)CC1
214176791	ZINC000337605107	mid	6.78	-6.76	0	279.428	2.302	1	2	4	CC(C)N1CCN(C(=O)NCC2(C3CC3)CCC2)CC1
365623674	ZINC000274323404	ref	6.04	-24.59	0	263.276	1.627	2	4	4	C[C@@H](Cn1ccnc1)NC(=O)Nc1cccc(F)n1
185091468	ZINC000096081277	ref	2.31	-14.26	0	280.349	0.556	1	4	3	O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccsc2)N1CCO
214176794	ZINC000337603433	ref	0.18	-14.52	0	296.389	-0.875	1	5	10	CCN(CCOCCO)C(=O)CN(C)S(=O)(=O)CC
365623680	ZINC000274323404	low	6.56	-48.86	1	263.276	1.627	2	3	4	C[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(F)n1
178293344	ZINC000049814698	ref	7.06	-4.86	0	209.72	3.414	0	1	0	Cc1cc2c(nc1Cl)C[C@H](C)[C@H](C)C2
214176800	ZINC000337604918	ref	3.95	-44.1	1	299.415	0.654	3	3	6	COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC2(O)CCCC2)C1
342598801	ZINC000590819375	ref	4.98	-46.82	-1	275.356	1.661	1	3	4	Cn1cc(C#N)c(=NC(=O)NCCC(C)(C)C2CC2)[n-]1
282120467	ZINC000286183466	ref	5.3	-46.23	1	334.424	-0.574	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H]([NH+](C)C)[C@H](C)C1)CC2
342598802	ZINC000590819375	mid	4.45	-26.41	0	275.356	1.661	2	3	4	Cn1cc(C#N)c(=NC(=O)NCCC(C)(C)C2CC2)[nH]1
342598803	ZINC000590819374	ref	4.89	-46.25	-1	261.329	1.414	1	3	2	Cn1cc(C#N)c(=NC(=O)NC(C)(C)C2CCC2)[n-]1
342598804	ZINC000590819374	mid	4.2	-23.0	0	261.329	1.414	2	3	2	Cn1cc(C#N)c(=NC(=O)NC(C)(C)C2CCC2)[nH]1
342598805	ZINC000590819596	ref	4.68	-48.59	-1	273.34	1.558	1	3	1	Cn1cc(C#N)c(=NC(=O)NC23CCC(CC2)CC3)[n-]1
214176802	ZINC000337604918	mid	3.79	-44.04	1	299.415	0.654	3	3	6	COCC[N@H+]1CC[C@@H](NC(=O)N(C)CC2(O)CCCC2)C1
342598806	ZINC000590819596	mid	3.91	-24.24	0	273.34	1.558	2	3	1	Cn1cc(C#N)c(=NC(=O)NC23CCC(CC2)CC3)[nH]1
342598807	ZINC000590819256	ref	6.78	-18.09	0	297.318	1.317	1	5	2	COc1ccc2c(c1)CCN2C(=O)Nc1nn(C)cc1C#N
299072416	ZINC000358088143	ref	8.93	-91.01	2	308.47	1.761	3	1	3	CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C
282120478	ZINC000286183466	high	2.73	-12.11	0	334.424	-0.574	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H](N(C)C)[C@H](C)C1)CC2
349533222	ZINC000594966486	mid	4.67	-7.88	0	281.444	2.596	3	1	4	C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCC[C@H](C)C2)CC1
365623676	ZINC000623050907	ref	8.02	-94.14	2	303.454	1.423	2	3	7	C[NH+]1CCN(CCC[N@@H+](C)Cc2cnc(C3CC3)nc2)CC1
214176793	ZINC000053313757	mid	6.94	-13.09	0	331.173	3.281	2	3	2	Cc1cccc(C(=O)Nc2n[nH]c3ncc(Br)cc23)c1
185090307	ZINC000096076102	low	8.42	-40.41	1	284.367	1.065	1	5	3	Cn1ccc(C[N@@H+]2CC[C@]23CCN(c2ncccn2)C3)n1
365623681	ZINC000623050907	mid	8.02	-93.86	2	303.454	1.423	2	3	7	C[NH+]1CCN(CCC[N@H+](C)Cc2cnc(C3CC3)nc2)CC1
222609190	ZINC000222552696	ref	11.97	-44.78	1	390.449	4.542	2	1	5	Cc1ccccc1C[NH+]1CCC(C(=O)NCc2cccc(C(F)(F)F)c2)CC1
178293347	ZINC000071334943	ref	7.22	-16.44	0	243.31	2.097	0	4	2	Cc1cc2c(n1Cc1ccnn1C)CCCC2=O
398246770	ZINC000651453188	ref	8.03	-7.37	0	250.386	3.151	1	1	2	CC[C@H]1CCCN(C(=O)NC2CC3(CCC3)C2)C1
178293353	ZINC000041732107	ref	6.46	-38.05	1	220.36	3.179	1	1	1	Cc1cc2c(n1CC(C)(C)C)CCC[C@@H]2[NH3+]
365623687	ZINC000623050907	high	3.29	-5.8	0	303.454	1.423	0	5	7	CN1CCN(CCCN(C)Cc2cnc(C3CC3)nc2)CC1
178293358	ZINC000049814700	ref	7.28	-4.65	0	209.72	3.414	0	1	0	Cc1cc2c(nc1Cl)C[C@H](C)[C@@H](C)C2
365623693	ZINC000623050907	high	5.7	-39.45	1	303.454	1.423	1	4	7	CN1CC[NH+](CCCN(C)Cc2cnc(C3CC3)nc2)CC1
398246772	ZINC000651454518	ref	5.32	-6.8	0	293.436	3.319	2	3	3	Cc1csc(C(C)(C)NC(=O)NC2CC3(CCC3)C2)n1
342083493	ZINC000238078606	high	2.07	-8.57	0	289.379	1.604	2	4	3	O=C(Nc1cccc(N2CCOCC2)c1)[C@H]1CCCCN1
178293363	ZINC000052299227	ref	9.18	-10.75	0	231.339	3.533	0	2	1	Cc1cc2c(n1[C@H]1C[C@H]1C)CC(C)(C)CC2=O
178293366	ZINC000041725804	ref	6.95	-38.02	1	220.36	3.35	1	1	2	Cc1cc2c(n1[C@H](C)C(C)C)CCC[C@@H]2[NH3+]
136228602	ZINC000191590432	ref	1.22	-40.58	1	236.315	1.342	2	3	6	COc1cccc(C[NH2+]CC2(CO)CCC2)n1
398246773	ZINC000651453747	ref	7.19	-9.98	0	273.38	3.117	1	2	3	C[C@H](c1ccncc1)N(C)C(=O)NC1CC2(CCC2)C1
299072417	ZINC000344634986	high	5.12	-6.85	0	295.349	2.309	1	2	3	C[C@@H](C1CCN(C)CC1)N(C)C(=O)N[C@@H](C)C(F)(F)F
299072422	ZINC000267771625	ref	8.95	-11.45	0	285.391	3.449	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccc(C#N)cc1
299072435	ZINC000347469476	ref	5.96	-14.38	0	330.494	2.562	1	3	5	C[C@@H](C1CCCCC1)N(C)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1
136228603	ZINC000191590432	high	-0.09	-6.85	0	236.315	1.342	2	4	6	COc1cccc(CNCC2(CO)CCC2)n1
259308763	ZINC000020554652	ref	9.12	-36.27	1	217.356	3.626	1	0	4	CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC2
282123573	ZINC000533474802	ref	3.76	-15.02	0	265.357	1.143	1	4	3	C[C@H](C(=O)N1CCC[C@H]([C@H](C)O)C1)c1cnn(C)c1
365623677	ZINC000172827213	low	3.13	-46.77	1	283.397	1.097	2	4	4	CC(=O)NC[C@H]1C[N@H+](Cc2sc(C)nc2C)CCO1
342083494	ZINC000238095230	ref	6.36	-41.39	1	270.336	1.622	2	3	4	O=C(Nc1ccn(Cc2ccccc2)n1)[C@H]1CCC[NH2+]1
349533224	ZINC000618807047	ref	6.18	-21.05	0	258.325	1.577	0	4	4	C[C@@H](C(=O)N(C)Cc1cn(C)nn1)c1ccccc1
365623682	ZINC000172827213	low	3.56	-46.84	1	283.397	1.097	2	4	4	CC(=O)NC[C@H]1C[N@@H+](Cc2sc(C)nc2C)CCO1
299072418	ZINC000567665854	ref	6.83	-43.09	1	288.391	2.117	1	2	2	C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)[C@]1(C)CCC[NH2+]1
342083495	ZINC000625335880	ref	5.74	-19.41	0	286.326	1.987	2	3	5	Cc1nnc(CCNC(=O)CC2CCC(F)(F)CC2)[nH]1
342083496	ZINC000625335880	mid	5.37	-15.57	0	286.326	1.987	2	3	5	Cc1n[nH]c(CCNC(=O)CC2CCC(F)(F)CC2)n1
290623105	ZINC000492526716	ref	8.71	-16.19	0	291.395	2.332	0	4	5	CCn1ccnc1/C=C\C(=O)N1CCC(OC(C)C)CC1
342083497	ZINC000625336669	ref	-0.09	-7.36	0	281.356	1.309	1	6	5	C[C@@H](O)C[C@@H]1COCCN1Cc1noc(C2CCC2)n1
290623106	ZINC000492526716	low	8.25	-29.25	1	291.395	2.332	0	3	5	CCn1cc[nH+]c1/C=C\C(=O)N1CCC(OC(C)C)CC1
290623109	ZINC000492526147	ref	5.07	-14.5	0	296.783	2.213	1	5	6	O=C(/C=C\c1ccc(Cl)s1)NCCCn1ccnn1
342083498	ZINC000625336610	ref	3.69	-55.09	1	288.457	1.227	1	3	6	CCN(C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@@H+]1CC
210256199	ZINC000004711859	ref	8.41	-49.34	-1	330.39	2.664	1	6	3	O=C1NC(=S)S/C1=C\c1cccn1-c1ccc(C(=O)[O-])cc1
365623688	ZINC000172826789	ref	7.01	-22.66	0	272.304	1.788	0	4	3	COC(=O)CN(C)C(=O)c1cccc2ccc(C)nc12
365623697	ZINC000295488004	ref	2.58	-13.01	0	290.367	1.415	2	5	5	Cc1nn(C)c2ncc(C(=O)NCCC(C)(C)CO)cc12
343994482	ZINC000139375186	ref	6.79	-3.41	0	162.232	2.779	0	1	4	CO/C=C/CCc1ccccc1
365623710	ZINC000172829021	ref	1.85	-17.57	0	288.225	1.644	2	3	4	O=C1CC[C@H](C(=O)Nc2ccc(F)cc2OC(F)F)N1
365623715	ZINC000172830424	ref	2.49	-7.55	0	288.225	1.644	2	3	4	O=C(Nc1ccc(F)cc1OC(F)F)C(=O)NC1CC1
365623721	ZINC000172819789	ref	4.19	-11.69	0	267.325	1.615	1	4	8	CCOCC(=O)NC[C@@H](C)Oc1cccc(OC)c1
365623726	ZINC000565302174	ref	2.96	-58.64	1	263.301	1.586	3	5	5	C[C@H]([NH3+])C[C@H](C)Nc1cc(N)c([N+](=O)[O-])c(C#N)c1
365623734	ZINC000172825015	ref	5.05	-18.31	0	283.372	1.9	1	5	8	CCOCCO[C@H](C)C(=O)Nc1c(C)nn(CC)c1C
210256206	ZINC000004711859	mid	7.27	-93.13	-2	330.39	2.664	0	6	3	O=C1[N-]C(=S)S/C1=C\c1cccn1-c1ccc(C(=O)[O-])cc1
299072419	ZINC000358088143	mid	9.0	-89.1	2	308.47	1.761	3	1	3	CC[N@H+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C
214176798	ZINC000053300472	ref	7.13	-10.3	0	327.346	3.28	1	2	4	O=C(NCC1CC1)C1(c2cccc(C(F)(F)F)c2)CCOCC1
214176801	ZINC000053309029	ref	5.66	-14.56	0	333.304	1.305	1	7	5	Cc1cc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])cnc2C)no1
214176805	ZINC000053321080	ref	8.3	-13.55	0	349.412	1.752	1	7	3	COC(=O)C1(NC(=O)c2cnc3sccn3c2=O)CCCCCC1
342598808	ZINC000590819754	ref	7.25	-53.49	-1	285.351	1.366	0	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)[n-]1
342598809	ZINC000590819754	mid	6.7	-29.61	0	285.351	1.366	1	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@@H](C3CC3)[C@H]2C2CC2)[nH]1
342598810	ZINC000590819259	ref	6.77	-51.44	-1	297.362	1.39	0	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)[n-]1
342598811	ZINC000590819259	mid	6.12	-29.37	0	297.362	1.39	1	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)[nH]1
342598812	ZINC000590819554	ref	6.56	-52.17	-1	287.367	1.756	0	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)[n-]1
210256211	ZINC000004712872	ref	11.81	-7.95	0	348.471	5.503	0	4	5	CCOc1ccc(C2=NN(c3ccccc3)[C@@H](c3cccs3)C2)cc1
214176810	ZINC000053304757	ref	9.11	-37.96	1	348.535	3.433	2	3	4	Cc1c(C(=O)NCC(C)(C)[N@H+]2C[C@@H](C)C[C@@H](C)C2)cnn1C(C)(C)C
214176812	ZINC000053304757	mid	8.99	-36.98	1	348.535	3.433	2	3	4	Cc1c(C(=O)NCC(C)(C)[N@@H+]2C[C@@H](C)C[C@@H](C)C2)cnn1C(C)(C)C
342598813	ZINC000590819554	mid	5.93	-29.27	0	287.367	1.756	1	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@H]3CCC[C@@H]32)[nH]1
342598814	ZINC000590819427	ref	3.65	-47.74	-1	291.355	1.042	1	4	4	Cn1cc(C#N)c(=NC(=O)NCCCC2CCOCC2)[n-]1
342600628	ZINC000401680492	mid	4.41	-37.32	1	273.373	1.192	2	4	7	CCC[C@H](C(=O)OCC)[N@H+]1CCC[C@@](CO)(OC)C1
178305179	ZINC000035756760	ref	8.89	-43.24	-1	232.283	2.374	0	4	3	Cc1cc2ncn(C[C@H](C)C(=O)[O-])c2cc1C
214176815	ZINC000053319309	ref	4.56	-23.64	0	326.381	2.734	1	5	5	Oc1ccc(C=NN2C(=S)N=NC2COc2ccccc2)cc1
197597986	ZINC000290110466	ref	7.81	-9.88	0	295.329	2.865	0	2	4	O=C(N1CCO[C@@H](c2cccc(F)c2)C1)C1(CCF)CC1
365623679	ZINC000121867538	mid	6.24	-44.16	1	292.364	2.07	2	5	3	CC[N@H+]1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
178293369	ZINC000237037553	ref	4.1	-56.73	1	357.476	1.3	1	4	6	CC[NH2+]CC1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1
178293371	ZINC000237034551	ref	5.16	-52.3	1	360.458	1.582	2	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
178293376	ZINC000237034551	high	4.86	-18.8	0	360.458	1.582	2	4	5	CC[C@H](C)[C@@H](N)C(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
178293380	ZINC000237025576	ref	4.54	-42.7	1	360.502	1.705	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1
178293382	ZINC000237025576	high	4.19	-14.24	0	360.502	1.705	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
349533226	ZINC000594966486	high	4.67	-7.88	0	281.444	2.596	2	2	4	C[C@@H]1CC[C@@H](NC(=O)NCCN2CCC[C@H](C)C2)CC1
178293385	ZINC000237027163	ref	5.65	-38.17	1	358.486	1.474	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1
365623685	ZINC000274323487	ref	4.44	-17.36	0	275.312	1.834	2	5	4	Cc1noc(C)c1C[C@@H](C)NC(=O)Nc1cncnc1
178293389	ZINC000237027163	high	4.46	-14.56	0	358.486	1.474	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCCN2)CC1
178293392	ZINC000237032430	ref	5.43	-53.83	-1	351.428	1.304	1	6	7	CN(C)C[C@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1
343994483	ZINC000599271383	ref	5.56	-10.82	0	298.408	1.022	1	6	6	CCOC(=O)[C@H]1CSCCN1C[C@H](O)CC1(C#N)CC1
178293395	ZINC000237032430	mid	6.44	-62.01	0	351.428	1.304	2	5	7	Cn1cc(S(=O)(=O)N[C@@H](C[NH+](C)C)c2ccccc2)cc1C(=O)[O-]
178293398	ZINC000237034100	ref	4.38	-51.28	1	350.507	1.049	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1)C1CCCCC1
178293401	ZINC000237033917	ref	8.21	-41.66	1	373.497	1.735	2	3	7	CCc1ccccc1OCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
365623690	ZINC000274323401	ref	5.98	-23.86	0	263.276	1.627	2	4	4	C[C@H](Cn1ccnc1)NC(=O)Nc1cccc(F)n1
349533233	ZINC000594964964	ref	4.88	-12.28	0	269.385	2.605	1	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1
365623694	ZINC000274323401	low	6.49	-51.36	1	263.276	1.627	2	3	4	C[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(F)n1
178293405	ZINC000237035110	ref	5.33	-54.64	1	351.472	1.216	1	3	5	CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@H]1CC[NH2+]C1
178293410	ZINC000237034009	ref	5.06	-53.78	1	364.534	1.439	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1)C1CCCCC1
349533238	ZINC000594964964	high	4.88	-12.28	0	269.385	2.605	1	2	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2ccc(F)cc2)C1
365623686	ZINC000121944390	ref	9.47	-15.89	0	288.347	2.095	0	4	7	COC(=O)CN(CC#N)C(=O)CC[C@H](C)c1ccccc1
342083499	ZINC000625336610	mid	3.12	-55.4	1	288.457	1.227	1	3	6	CCN(C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCC[N@H+]1CC
214176803	ZINC000278474280	ref	7.25	-66.19	1	315.438	3.298	1	2	5	C[C@@H](CC[NH2+][C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1
214176806	ZINC000278474280	mid	6.06	-12.97	0	315.438	3.298	1	3	5	C[C@@H](CCN[C@H]1CS(=O)(=O)c2ccccc21)c1ccccc1
214176809	ZINC000278474037	ref	5.49	-11.78	0	315.348	2.608	0	4	3	Cc1ccc(C(=O)N2CCC[C@@H](Oc3ncccc3F)C2)cn1
214176814	ZINC000278475758	ref	8.22	-45.84	1	322.474	3.099	2	3	8	CCC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@H]1CCSC1
214176816	ZINC000278475758	mid	8.49	-45.4	1	322.474	3.099	2	3	8	CCC[N@H+](CC(=O)Nc1ccccc1OC)C[C@H]1CCSC1
214176820	ZINC000278475758	high	6.78	-10.0	0	322.474	3.099	1	4	8	CCCN(CC(=O)Nc1ccccc1OC)C[C@H]1CCSC1
214176824	ZINC000278474308	ref	3.16	-12.35	0	303.337	2.395	2	4	7	Cc1nc(F)ccc1CNc1ccccc1OCCC(N)=O
214176828	ZINC000278474338	ref	7.26	-66.24	1	308.313	2.119	1	5	8	CCOc1ccc(C[NH2+]CCn2cc([N+](=O)[O-])cn2)cc1F
214176831	ZINC000278474338	high	5.9	-13.65	0	308.313	2.119	1	6	8	CCOc1ccc(CNCCn2cc([N+](=O)[O-])cn2)cc1F
214176833	ZINC000278474639	ref	9.07	-56.67	1	318.255	3.473	1	1	5	Fc1ccc(CC[NH2+]C[C@H]2CCSC2)cc1Br
214176837	ZINC000278475354	ref	7.29	-11.23	0	320.359	3.1	1	3	5	CCN(C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)[C@H](C)C(C)C
214176841	ZINC000278473607	ref	6.38	-10.44	0	303.362	2.318	1	6	8	CCOC(=O)c1ccc(NCc2cnn(CCOC)c2)cc1
342083500	ZINC000625336610	mid	2.4	-10.48	0	288.457	1.227	1	3	6	CCN1CCC[C@@H]1C[N@H+](CC)C[C@H]1CCS(=O)(=O)C1
342083501	ZINC000625336610	mid	3.12	-55.4	1	288.457	1.227	1	3	6	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@H]1CCS(=O)(=O)C1
365623698	ZINC000121939343	ref	7.71	-6.32	0	269.385	2.219	0	4	6	CCOC(=O)CN(C)[C@@H]1C[C@H](OCC)C12CCCC2
365623705	ZINC000121939343	mid	8.81	-34.48	1	269.385	2.219	1	3	6	CCOC(=O)C[N@@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2
282120471	ZINC000449149817	high	5.23	-8.28	0	291.37	2.477	2	4	7	CCC[C@H](O)CNCc1cn(C)nc1-c1ccc(F)cc1
342083502	ZINC000625336610	high	2.4	-10.48	0	288.457	1.227	0	4	6	CCN(C[C@H]1CCS(=O)(=O)C1)C[C@H]1CCCN1CC
342083503	ZINC000625336465	ref	-0.06	-7.29	0	294.399	1.224	2	5	5	C[C@H](O)C[N@@H+]1CCN(Cc2noc(C3CCC3)n2)[C@H](C)C1
168365635	ZINC000108280159	ref	-0.13	-38.56	1	126.163	-0.375	1	3	2	C[C@@H]([NH3+])Cn1nccn1
398246774	ZINC000651454264	ref	7.85	-10.77	0	286.375	3.1	1	2	2	COc1ccc2c(c1)CCN2C(=O)NC1CC2(CCC2)C1
365623692	ZINC000354684230	mid	8.22	-92.94	2	279.428	1.556	2	1	3	CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C
365623696	ZINC000354684230	mid	8.75	-96.14	2	279.428	1.556	2	1	3	CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C
178293374	ZINC000041732110	ref	6.44	-37.92	1	220.36	3.179	1	1	1	Cc1cc2c(n1CC(C)(C)C)CCC[C@H]2[NH3+]
398246776	ZINC000651453891	ref	7.85	-11.31	0	260.328	3.006	1	1	5	CCCN(CC(F)F)C(=O)NC1CC2(CCC2)C1
398246778	ZINC000651453607	ref	9.19	-10.56	0	270.376	3.4	1	1	1	Cc1cccc2c1CCN2C(=O)NC1CC2(CCC2)C1
346818953	ZINC000589951186	ref	8.25	-14.96	0	287.319	3.427	0	5	4	C[C@H]1C[C@@H]1c1noc(C(C)(C)c2ccccc2[N+](=O)[O-])n1
290623112	ZINC000414188265	ref	7.18	-9.15	0	256.349	3.233	1	2	1	C[C@H]1CC[C@@]2(C1)Nc1ccccc1C(=O)N2C1CC1
299072420	ZINC000459276133	ref	6.98	-8.46	0	312.454	2.791	1	3	5	COC1CCC(NC(=O)N2CCC(OCC(C)C)CC2)CC1
299072425	ZINC000459278285	ref	7.6	-17.52	0	314.495	2.898	1	2	4	CCC[C@H](NC(=O)N1CC[S@](=O)CC[C@@H]1C)C1CCCC1
299072432	ZINC000459276105	ref	4.83	-12.21	0	313.405	2.903	2	4	4	C[C@H](NC(=O)Nc1cccc(N2CCCC2)c1)c1ccn(C)n1
365623700	ZINC000354684230	high	5.92	-39.41	1	279.428	1.556	1	2	3	CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C
168365338	ZINC000368508391	low	7.85	-49.11	1	333.378	3.462	2	2	5	O[C@H](CC[N@@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1
365623702	ZINC000354684230	high	6.18	-38.19	1	279.428	1.556	1	2	3	CCCN1CCC[C@@H]1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C
365623706	ZINC000354684348	ref	2.17	-10.09	0	280.343	1.539	2	3	4	CC(C)(O)CNC(=O)[C@H]1CCN(c2ccccc2F)C1
398246779	ZINC000651453728	ref	8.63	-12.73	0	274.339	3.231	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2ccc(F)cc21
398246782	ZINC000651454477	ref	6.9	-6.23	0	250.386	3.341	2	1	2	CC1(NC(=O)NC2CC3(CCC3)C2)CCCCC1
365623713	ZINC000354683962	ref	4.16	-6.43	0	255.358	1.877	1	3	7	CCOC1CC(CCNC(=O)C2(OC)CCC2)C1
365623722	ZINC000354682305	ref	7.95	-49.56	1	288.391	1.144	2	2	5	O=C([C@@H](O)Cc1ccccc1)N1CC[NH+](CC2CC2)CC1
398246784	ZINC000651454422	ref	8.58	-8.67	0	294.439	3.31	1	2	4	CCCO[C@H]1CCCN(C(=O)NC2CC3(CCC3)C2)CC1
398246786	ZINC000651454251	ref	7.73	-10.08	0	262.353	3.144	1	2	4	CCN(Cc1ccoc1)C(=O)NC1CC2(CCC2)C1
365623728	ZINC000354682305	mid	5.74	-8.42	0	288.391	1.144	1	3	5	O=C([C@@H](O)Cc1ccccc1)N1CCN(CC2CC2)CC1
214176804	ZINC000337604918	mid	1.56	-10.78	0	299.415	0.654	2	4	6	COCCN1CC[C@@H](NC(=O)N(C)CC2(O)CCCC2)C1
290623110	ZINC000095967141	ref	2.62	-19.33	0	312.435	1.98	2	4	7	CNC(=O)c1c(C)cccc1NCCCS(=O)(=O)C(C)C
290623114	ZINC000282094881	ref	4.08	-14.37	0	292.383	2.377	3	3	4	CNC(=O)c1c(NC(=O)CC2(C)CCCCC2)n[nH]c1C
136228604	ZINC000334511258	ref	5.23	-10.19	0	240.347	2.139	1	2	3	CCO[C@@H]1CCCC[C@H]1NC(=O)N1CCCC1
136228605	ZINC000182802976	ref	7.88	-13.84	0	245.326	2.48	1	3	6	C#CCCCCC(=O)Nc1cc(CC)nc(C)n1
136228606	ZINC000182802389	ref	8.17	-12.04	0	234.299	2.136	0	4	5	C#CCCCCC(=O)Oc1c(C)nn(C)c1C
342083504	ZINC000625336465	mid	1.84	-35.97	1	294.399	1.224	2	5	5	C[C@H](O)C[N@H+]1CCN(Cc2noc(C3CCC3)n2)[C@H](C)C1
342083505	ZINC000625336465	mid	-0.06	-7.29	0	294.399	1.224	1	6	5	C[C@H](O)CN1CCN(Cc2noc(C3CCC3)n2)[C@H](C)C1
398246780	ZINC000335869926	ref	4.33	-5.56	0	236.34	2.231	1	3	3	C[N@H+](Cc1ccc(C#N)s1)[C@@H]1CCCOC1
214176818	ZINC000337604109	ref	2.18	-14.61	0	253.302	0.028	1	5	4	C[C@H]1[C@@H](CO)CCN1C(=O)COc1cnn(C)c1
365623701	ZINC000274318822	ref	4.89	-7.72	0	296.33	1.263	2	4	4	O=C(NCC1(c2ccccc2)CC1)C(=O)Nc1cncnc1
342083506	ZINC000625336366	ref	5.23	-13.05	0	292.387	1.234	0	5	3	CCC(C)(C)N(C)C(=O)N1CCN(c2nccnn2)CC1
214176822	ZINC000337602153	ref	1.18	-8.77	0	286.225	0.644	2	3	5	O=C(NCC(F)F)C(=O)N[C@H]1CCC[C@H]1OC(F)F
282120473	ZINC000533447283	high	4.44	-13.0	0	273.336	1.305	0	5	3	CN(Cc1cc(=O)n2ccccc2n1)C1CCOCC1
342083507	ZINC000238095623	ref	5.11	-42.35	-1	269.219	1.031	0	4	4	O=C([O-])CN(C(=O)CC(F)(F)F)C1CCOCC1
342083508	ZINC000625336349	ref	5.95	-40.17	1	254.374	1.427	1	3	5	COCC1=CCN(CC(=O)NCC(C)(C)C)CC1
342083509	ZINC000625336349	mid	5.95	-40.22	1	254.374	1.427	2	2	5	COCC1=CC[N@H+](CC(=O)NCC(C)(C)C)CC1
342083510	ZINC000625336349	mid	5.95	-40.17	1	254.374	1.427	2	2	5	COCC1=CC[N@@H+](CC(=O)NCC(C)(C)C)CC1
136228607	ZINC000283269220	ref	4.78	-8.18	0	209.289	1.329	1	2	2	CC#CC(=O)N[C@@H]1CCO[C@@H](C(C)C)C1
398246781	ZINC000335869926	mid	6.74	-45.15	1	236.34	2.231	1	3	3	C[N@@H+](Cc1ccc(C#N)s1)[C@@H]1CCCOC1
214176826	ZINC000337605424	ref	5.73	-13.73	0	299.365	3.072	2	2	4	Cc1n[nH]c(C)c1[C@H](C)C(=O)NCC1CCC(F)(F)CC1
136228608	ZINC000182804659	ref	9.24	-45.04	1	201.273	0.842	1	2	6	C#CC[NH+](CC#C)CCCn1ccnc1
214176830	ZINC000337602516	ref	2.36	-17.47	0	275.345	0.039	1	5	9	CCN(CCOCCO)C(=O)COC1CCOCC1
259308766	ZINC000306288814	ref	2.95	-5.99	0	211.673	3.169	1	3	1	Oc1ccc(-c2cncs2)cc1Cl
282120474	ZINC000449149723	ref	5.33	-8.02	0	259.353	2.362	2	3	3	Nc1ccc(C(=O)N[C@H]2C[C@H]2C2CCCCC2)nc1
398246783	ZINC000335869926	mid	4.33	-5.56	0	236.34	2.231	0	4	3	CN(Cc1ccc(C#N)s1)[C@@H]1CCCOC1
185090309	ZINC000096076102	low	8.48	-36.33	1	284.367	1.065	1	5	3	Cn1ccc(C[N@H+]2CC[C@]23CCN(c2ncccn2)C3)n1
178293396	ZINC000075619828	ref	7.96	-45.2	-1	210.298	2.951	0	3	2	Cc1cc2c(s1)CCC[C@H]2CC(=O)[O-]
178293399	ZINC000012341319	ref	4.39	-9.27	0	210.236	2.597	1	3	0	Cc1cc2c(cn1)/C(=N/O)c1ccccc1-2
178293404	ZINC000041725799	ref	6.85	-38.12	1	220.36	3.35	1	1	2	Cc1cc2c(n1[C@@H](C)C(C)C)CCC[C@@H]2[NH3+]
178293406	ZINC000041727721	ref	7.12	-38.64	1	220.36	3.179	1	1	3	Cc1cc2c(n1CCC(C)C)CCC[C@H]2[NH3+]
342083511	ZINC000625336750	ref	1.54	-10.44	0	292.426	1.935	1	5	8	CCC[C@H](CNS(=O)(=O)c1cnc(C)s1)OCC
398246785	ZINC000313441309	ref	6.6	-5.87	0	234.343	3.009	1	3	6	Cc1cccc(NCCOCC2CCCC2)n1
178293414	ZINC000039105597	ref	7.04	-45.06	1	207.273	1.895	1	2	2	Cc1cc2c(o1)CC[C@H](C[NH+](C)C)C2=O
178293417	ZINC000039105597	high	5.0	-8.0	0	207.273	1.895	0	3	2	Cc1cc2c(o1)CC[C@H](CN(C)C)C2=O
398246787	ZINC000313441309	mid	7.05	-25.09	1	234.343	3.009	1	2	6	Cc1cccc(NCCOCC2CCCC2)[nH+]1
178293421	ZINC000028704520	ref	5.01	-11.49	0	222.247	3.195	2	1	0	Cc1cc2c(cc3c4c(cccc42)NC3=O)[nH]1
178293425	ZINC000049453913	ref	7.49	-11.94	0	221.31	2.915	1	4	0	Cc1cc2c(cc3c(=S)[nH]ncn32)s1
178293427	ZINC000026496135	ref	2.03	-10.05	0	233.271	0.705	2	3	0	Cc1cc2c(n1C)CCC[C@]21NC(=O)NC1=O
178293430	ZINC000026496135	high	0.19	-50.99	-1	233.271	0.705	1	3	0	Cc1cc2c(n1C)CCC[C@]21NC(=O)[N-]C1=O
178293434	ZINC000039110364	ref	9.27	-6.16	0	221.303	3.538	0	1	0	Cc1cc2c3c(c1)-c1ccccc1CN3CC2
178293438	ZINC000000235932	ref	8.47	-15.03	0	227.311	3.06	0	3	0	Cc1cc2c3c(C)n(C)c(C)c3c(C)nn2c1
178293442	ZINC000039105598	ref	7.25	-37.36	1	207.273	1.895	1	2	2	Cc1cc2c(o1)CC[C@@H](C[NH+](C)C)C2=O
178293445	ZINC000039105598	high	5.24	-9.97	0	207.273	1.895	0	3	2	Cc1cc2c(o1)CC[C@@H](CN(C)C)C2=O
178293446	ZINC000270784291	ref	2.98	-14.56	0	237.299	1.71	2	3	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)CO
197597989	ZINC000290108056	ref	6.21	-23.66	0	297.384	0.681	1	6	6	CCN(CCS(C)(=O)=O)c1nnc(-c2ccc[nH]2)n1C
178293449	ZINC000041725809	ref	6.74	-38.14	1	220.36	3.35	1	1	2	Cc1cc2c(n1[C@@H](C)C(C)C)CCC[C@H]2[NH3+]
349533227	ZINC000621479987	ref	7.99	-14.83	0	297.354	3.085	1	3	5	Cc1cccc(COCC(=O)Nc2ccc3c(c2)CCO3)c1
343994486	ZINC000599271383	low	7.17	-43.61	1	298.408	1.022	2	5	6	CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@H](O)CC1(C#N)CC1
398246788	ZINC000651454373	ref	9.85	-7.09	0	262.397	3.151	1	1	5	O=C(NC1CC2(CCC2)C1)N(CC1CC1)CC1CC1
349533228	ZINC000621224457	ref	2.95	-7.09	0	269.307	2.49	2	2	6	CC[C@](C)(CO)C(=O)NCC(C)(C)CC(F)(F)F
282120475	ZINC000533449394	ref	3.23	-15.59	0	288.351	1.211	2	6	5	Cc1nnc(-c2cccc(NCC3(CO)COC3)c2)n1C
365623704	ZINC000623053586	ref	2.98	-63.14	1	313.361	1.723	3	3	2	Cc1nc(-c2ccc(NC(=O)N3CC[C@@H]([NH3+])C3)cc2)cc(=O)[nH]1
365623711	ZINC000623053586	high	1.89	-90.81	0	313.361	1.723	2	3	2	Cc1nc(-c2ccc(NC(=O)N3CC[C@@H]([NH3+])C3)cc2)cc(=O)[n-]1
365623718	ZINC000623052880	ref	6.71	-48.66	1	305.769	1.181	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CC[NH2+]CC1
365623723	ZINC000623052880	mid	5.43	-6.18	0	305.769	1.181	1	5	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCNCC1
365623729	ZINC000623053501	ref	8.02	-43.79	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1
349533236	ZINC000621223324	ref	5.05	-13.4	0	267.344	2.381	2	2	6	CCC(CC)(CNC(=O)[C@@H](C)O)c1ccc(F)cc1
349533242	ZINC000621225531	ref	6.01	-7.92	0	290.285	2.303	1	3	5	Cn1cccc1C(=O)C(=O)NCC(C)(C)CC(F)(F)F
365623736	ZINC000623051689	ref	3.59	-11.14	0	315.366	1.779	0	4	2	C[C@H]1COCC[C@H]1S(=O)(=O)N1CCOc2ccc(F)cc21
398246791	ZINC000651454005	ref	9.58	-9.46	0	290.382	3.342	1	1	4	CN(CCc1ccc(F)cc1)C(=O)NC1CC2(CCC2)C1
398246793	ZINC000651454658	ref	9.02	-9.47	0	294.439	3.31	1	2	5	CCCN(C[C@@H]1CCCCO1)C(=O)NC1CC2(CCC2)C1
398246795	ZINC000651453582	ref	6.92	-54.5	1	274.364	3.476	2	2	5	CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1
365623740	ZINC000623051765	ref	0.78	-56.04	1	304.437	1.597	1	5	5	COc1ncc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1
342083512	ZINC000625336750	high	1.16	-44.38	-1	292.426	1.935	0	5	8	CCC[C@H](C[N-]S(=O)(=O)c1cnc(C)s1)OCC
342083513	ZINC000625336784	ref	2.26	-12.8	0	289.401	1.386	1	5	9	CCC[C@H](CNS(=O)(=O)c1cnn(CC)c1)OCC
342083514	ZINC000625335987	ref	5.0	-8.79	0	252.28	1.905	0	2	7	C=CCN(C)CC(=O)N(CCC)CC(F)(F)F
342083515	ZINC000625335987	mid	7.27	-38.08	1	252.28	1.905	1	1	7	C=CC[N@@H+](C)CC(=O)N(CCC)CC(F)(F)F
342083516	ZINC000625335987	mid	7.3	-38.18	1	252.28	1.905	1	1	7	C=CC[N@H+](C)CC(=O)N(CCC)CC(F)(F)F
342083517	ZINC000625335867	ref	3.03	-15.02	0	285.432	1.384	2	3	5	C[C@@H](C(=O)NC(C)(C)C)N(C)CC(=O)NCC(C)(C)C
290623111	ZINC000492526171	ref	5.69	-7.98	0	274.364	2.333	1	3	4	CO[C@@H]1C[C@H](NC(=O)/C=C/c2ccc(C)cn2)C1(C)C
178293397	ZINC000082788566	ref	5.62	-6.44	0	252.111	3.314	0	2	1	COc1cccc2nc(Br)cc(C)c12
342598815	ZINC000590819427	mid	3.11	-28.29	0	291.355	1.042	2	4	4	Cn1cc(C#N)c(=NC(=O)NCCCC2CCOCC2)[nH]1
342598816	ZINC000590819026	ref	7.0	-93.86	2	286.46	1.824	3	2	8	CC(C)OC[C@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342598817	ZINC000590819026	mid	7.01	-93.06	2	286.46	1.824	3	2	8	CC(C)OC[C@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342598818	ZINC000590819752	ref	7.14	-50.5	-1	285.351	1.366	0	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)[n-]1
210256219	ZINC000004711405	ref	9.08	-48.6	1	343.471	1.598	2	2	7	Cc1ccc(CCN2C[C@@H](C(=O)NCC[NH+]3CCCC3)CC2=O)cc1
185090312	ZINC000096076189	ref	5.47	-37.37	1	278.4	0.964	1	4	2	Cn1ccc(CN2CCC[C@@]3(COCC[N@H+](C)C3)C2)n1
398246789	ZINC000335866943	ref	2.62	-13.42	0	244.298	0.853	3	2	3	N#Cc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c[nH]1
214176819	ZINC000053313779	ref	4.33	-8.06	0	330.453	3.272	2	5	3	OCc1cc(N2CCCC2)ccc1-c1nc2c(s1)[C@@H](O)CCC2
432002774	ZINC000103093616	ref	10.03	-35.88	1	324.509	3.164	1	2	7	CC(C)COCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1
222609193	ZINC000291777665	ref	3.07	-11.82	0	317.389	1.519	3	3	5	CC(C)[C@H](NC(=O)C(=O)Nc1cccc(C2CCC2)c1)C(N)=O
210256231	ZINC000004711405	high	6.65	-12.67	0	343.471	1.598	1	3	7	Cc1ccc(CCN2C[C@@H](C(=O)NCCN3CCCC3)CC2=O)cc1
230234354	ZINC000353654539	ref	1.26	-51.05	1	251.334	-0.588	1	4	3	C[C@H]([NH3+])C(=O)N1CCN(Cc2nccn2C)CC1
230234363	ZINC000353654539	low	1.73	-84.8	2	251.334	-0.588	1	3	3	C[C@H]([NH3+])C(=O)N1CCN(Cc2[nH+]ccn2C)CC1
230234369	ZINC000353654539	high	0.92	-14.52	0	251.334	-0.588	1	5	3	C[C@H](N)C(=O)N1CCN(Cc2nccn2C)CC1
230234376	ZINC000354809441	ref	4.43	-27.06	0	257.257	-0.363	1	7	4	O=C(Cn1cnnn1)NCc1ccn2ccnc2c1
230234381	ZINC000354809441	low	4.93	-52.59	1	257.257	-0.363	1	6	4	O=C(Cn1cnnn1)NCc1ccn2cc[nH+]c2c1
230234406	ZINC000354378748	ref	5.61	-24.14	0	294.311	-0.57	1	7	3	COC(=O)[C@@H]1CC[C@@H](C(=O)N[C@@H]2CCc3ncnn3C2)O1
230234427	ZINC000354805090	ref	1.24	-12.17	0	281.374	-0.335	1	6	7	CCOC(=O)[C@@](C)(O)CN(C)[C@@H](C)CS(C)(=O)=O
230234437	ZINC000354805090	low	2.36	-42.5	1	281.374	-0.335	2	5	7	CCOC(=O)[C@@](C)(O)C[N@H+](C)[C@@H](C)CS(C)(=O)=O
230234442	ZINC000354805090	low	2.35	-40.69	1	281.374	-0.335	2	5	7	CCOC(=O)[C@@](C)(O)C[N@@H+](C)[C@@H](C)CS(C)(=O)=O
214176827	ZINC000053308857	ref	6.56	-22.28	0	328.328	1.764	1	6	5	Cc1cc(NC(=O)CN(C)C(=O)Cc2noc3ccccc23)no1
349533229	ZINC000093227106	ref	4.58	-49.61	-1	279.292	0.518	1	5	6	O=C([O-])COCCNC(=O)[C@H]1OCCc2ccccc21
349533232	ZINC000093226864	ref	5.59	-50.66	-1	282.252	0.734	1	6	7	Cc1ccc(C(=O)NCCOCC(=O)[O-])cc1[N+](=O)[O-]
349533240	ZINC000093227793	ref	5.85	-56.69	-1	292.291	0.543	1	6	8	C[C@@H](Oc1ccccc1C#N)C(=O)NCCOCC(=O)[O-]
214176829	ZINC000053303008	ref	9.78	-41.14	1	344.463	1.919	2	5	4	Cc1ccnc2nc(C(=O)NCC(C)(C)[N@H+]3C[C@@H](C)C[C@@H](C)C3)nn12
197598000	ZINC000290108468	ref	5.89	-6.16	0	284.344	3.052	0	6	2	Cc1nnsc1-c1nc(-c2ccc3c(c2)CCC3)no1
197598001	ZINC000290109493	ref	3.66	-11.12	0	295.408	2.859	3	4	5	C=C[C@@H](CO)NC(=O)Nc1ncc(C2CCCCC2)s1
349535912	ZINC000594973356	ref	7.03	-57.86	1	250.317	2.795	1	2	6	COc1cc(C[NH2+]CCC(C)(C)F)ccc1C#N
342083518	ZINC000625335867	low	5.18	-41.64	1	285.432	1.384	3	2	5	C[C@@H](C(=O)NC(C)(C)C)[N@H+](C)CC(=O)NCC(C)(C)C
349535917	ZINC000594970124	ref	3.76	-49.96	1	292.857	2.576	1	3	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2ncc(Cl)s2)C1
342083519	ZINC000625335867	low	5.2	-37.97	1	285.432	1.384	3	2	5	C[C@@H](C(=O)NC(C)(C)C)[N@@H+](C)CC(=O)NCC(C)(C)C
190492276	ZINC000269411875	ref	1.3	-15.77	0	270.289	0.771	3	5	7	CCc1n[nH]c(C(=O)NCC[C@H](O)CC)c1[N+](=O)[O-]
282120476	ZINC000334306026	ref	8.42	-44.45	1	252.402	2.223	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)C2)C1
214176832	ZINC000053303008	mid	9.7	-41.41	1	344.463	1.919	2	5	4	Cc1ccnc2nc(C(=O)NCC(C)(C)[N@@H+]3C[C@@H](C)C[C@@H](C)C3)nn12
282120486	ZINC000419558123	ref	7.06	-42.61	1	303.406	1.851	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2COCc3ccccc32)C1
342083520	ZINC000625336411	ref	6.88	-37.12	1	292.431	1.875	1	5	7	CCN(C[C@H]1CCC[N@@H+]1CC)[C@@H](C)c1nnnn1C1CC1
342083521	ZINC000625336411	mid	5.85	-35.31	1	292.431	1.875	1	5	7	CCN(C[C@H]1CCC[N@H+]1CC)[C@@H](C)c1nnnn1C1CC1
342083522	ZINC000625336505	ref	2.77	-13.93	0	260.384	1.753	1	4	5	O=S(=O)(CC1CCCC1)NCc1ccns1
342083523	ZINC000625336256	ref	3.04	-60.59	-1	260.297	1.1	3	4	4	Cc1nnc(CCNC(=O)c2c(C)cccc2O)[nH]1
342083524	ZINC000625336256	low	1.89	-14.95	0	260.297	1.1	3	4	4	Cc1n[nH]c(CCNC(=O)c2c(C)cccc2O)n1
342083525	ZINC000625336256	high	3.04	-60.59	-1	260.297	1.1	2	4	4	Cc1nnc(CCNC(=O)c2c(C)cccc2[O-])[nH]1
342083526	ZINC000625336730	ref	3.69	-7.06	0	292.445	1.756	1	3	10	CCC[C@@H](CNS(=O)(=O)N(C)[C@H](C)C1CC1)OCC
342598819	ZINC000590819752	mid	6.55	-28.16	0	285.351	1.366	1	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@H](C3CC3)[C@H]2C2CC2)[nH]1
365623708	ZINC000121939343	mid	8.81	-36.94	1	269.385	2.219	1	3	6	CCOC(=O)C[N@H+](C)[C@@H]1C[C@H](OCC)C12CCCC2
342598820	ZINC000590819900	ref	4.77	-49.94	-1	297.309	1.661	1	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCCC2(F)F)[n-]1
197598010	ZINC000162886183	ref	5.47	-34.73	1	308.447	2.305	2	3	5	O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@H]1C[C@@H](O)c1cccs1
398246790	ZINC000335866943	mid	4.93	-49.28	1	244.298	0.853	3	2	3	N#Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)c[nH]1
185090313	ZINC000096076189	mid	5.57	-38.05	1	278.4	0.964	1	4	2	Cn1ccc(CN2CCC[C@@]3(COCC[N@@H+](C)C3)C2)n1
365623712	ZINC000121857853	ref	4.61	-9.11	0	261.35	2.373	1	4	4	C=CCNC(=O)c1csc(-c2ccc(C)n2C)n1
365623719	ZINC000121853660	ref	2.88	-40.45	1	277.29	2.087	3	2	3	Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)C(F)(F)F
342598821	ZINC000590819900	mid	4.23	-30.99	0	297.309	1.661	2	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCCC2(F)F)[nH]1
342598822	ZINC000616986068	ref	5.71	-13.61	0	295.383	1.498	1	3	5	CC[C@@H](C)N(CC)C(=O)CN1C(=O)NC2(CCCC2)C1=O
342598823	ZINC000590819808	ref	6.21	-51.08	-1	273.34	1.368	0	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@H]3CCCC[C@H]3C2)[n-]1
398246792	ZINC000335866943	high	2.62	-13.42	0	244.298	0.853	2	3	3	N#Cc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)c[nH]1
282120489	ZINC000151589444	ref	4.56	-39.36	1	318.421	2.293	1	4	4	CC(C)c1nnc(/C=C/C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)o1
185090315	ZINC000096076189	high	3.52	-6.64	0	278.4	0.964	0	5	2	CN1CCOC[C@@]2(CCCN(Cc3ccn(C)n3)C2)C1
282120495	ZINC000151597107	ref	4.09	-18.53	0	306.387	2.203	2	5	6	Cc1nc(C)c(CCNC(=O)COc2ccccc2O)s1
282120507	ZINC000151595206	ref	8.15	-13.89	0	324.371	2.224	0	2	4	CN(C)C(=O)C1CCN(C(=O)CCc2ccc(F)cc2F)CC1
365623725	ZINC000121853660	mid	3.55	-40.13	1	277.29	2.087	3	2	3	Cc1n[nH]c(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)C(F)(F)F
342598824	ZINC000590819808	mid	5.34	-29.01	0	273.34	1.368	1	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@H]3CCCC[C@H]3C2)[nH]1
365623730	ZINC000121853660	mid	0.51	-6.25	0	277.29	2.087	2	3	3	Cc1n[nH]c(C)c1[C@@H]1CCCN1C[C@H](O)C(F)(F)F
133427941	ZINC000306429887	ref	3.8	-22.22	0	151.169	-0.395	0	4	1	CC#CCn1c(=O)ncn1C
282120515	ZINC000151598693	ref	5.51	-11.89	0	314.385	2.443	2	3	6	COC[C@@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(C)C
282120526	ZINC000151598565	ref	6.3	-9.29	0	304.766	2.397	0	7	4	Clc1snnc1Cn1nnnc1/C=C/c1ccccc1
342083527	ZINC000625336426	ref	5.67	-45.77	1	292.431	1.875	1	5	7	CCN(C[C@@H]1CCC[N@@H+]1CC)[C@H](C)c1nnnn1C1CC1
214176835	ZINC000053301952	ref	8.38	-8.89	0	338.363	3.238	1	5	4	COC(=O)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)c(C)c1
342083528	ZINC000625336426	mid	6.24	-39.31	1	292.431	1.875	1	5	7	CCN(C[C@@H]1CCC[N@H+]1CC)[C@H](C)c1nnnn1C1CC1
214176839	ZINC000053304042	ref	10.22	-43.39	1	347.459	3.01	2	3	6	C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1
185090317	ZINC000096077970	ref	4.26	-48.83	1	293.367	0.708	2	4	4	Cc1noc(C)c1CN1C[C@]2(CC[N@H+](CCO)C2)CC1=O
365623709	ZINC000274322020	ref	5.68	-42.43	1	261.329	1.035	2	3	1	C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cncnc3)[C@@H]2C1
365623714	ZINC000274322020	mid	5.5	-35.68	1	261.329	1.035	2	3	1	C[N@H+]1CC[C@@H]2CCN(C(=O)Nc3cncnc3)[C@@H]2C1
365623716	ZINC000274322020	high	2.98	-10.08	0	261.329	1.035	1	4	1	CN1CC[C@@H]2CCN(C(=O)Nc3cncnc3)[C@@H]2C1
214176843	ZINC000053304042	mid	10.12	-40.54	1	347.459	3.01	2	3	6	C[C@H]1C[C@@H](C)C[N@H+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1
365638830	ZINC000274370708	ref	1.94	-10.37	0	297.38	1.152	1	5	2	Cc1ncc(CNC(=O)N2CCO[C@@]3(CCOC3)C2)s1
342083529	ZINC000625336062	ref	5.56	-38.63	1	293.411	1.525	2	3	6	C[C@@H](CC(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccco1
214176846	ZINC000053301696	ref	-0.94	-21.39	0	332.36	-0.888	3	4	5	Cc1cc(C)cc(N2CC[C@H](C(=O)NC(C(N)=O)C(N)=O)C2=O)c1
185090319	ZINC000096077970	mid	4.54	-47.55	1	293.367	0.708	2	4	4	Cc1noc(C)c1CN1C[C@]2(CC[N@@H+](CCO)C2)CC1=O
343994487	ZINC000139408258	ref	0.9	-11.69	0	171.152	-1.135	1	4	2	CCOC(=O)[C@@H]1C(=O)CNC1=O
295666585	ZINC000420821993	ref	3.47	-16.21	0	346.399	2.259	2	3	6	O=C(NC[C@@H]1CCCS1(=O)=O)N[C@@H](CC(F)F)c1ccccc1
295666589	ZINC000333461235	ref	3.23	-44.97	1	343.493	1.127	2	3	3	O=C(NC[C@@H]1CCCS1(=O)=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1
342083530	ZINC000625336062	mid	3.19	-6.66	0	293.411	1.525	1	4	6	C[C@@H](CC(=O)N[C@H](C)CN1CCN(C)CC1)c1ccco1
214176849	ZINC000053303830	ref	7.87	-52.49	1	337.424	1.664	2	5	6	C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1
185090321	ZINC000096077970	high	2.01	-12.36	0	293.367	0.708	1	5	4	Cc1noc(C)c1CN1C[C@]2(CCN(CCO)C2)CC1=O
342083531	ZINC000625336062	mid	5.49	-41.78	1	293.411	1.525	2	3	6	C[C@@H](CC(=O)N[C@H](C)C[NH+]1CCN(C)CC1)c1ccco1
133427942	ZINC000306435760	ref	7.11	-29.77	1	151.253	2.191	1	0	1	C=C1CC[NH+](C2CCC2)CC1
282120479	ZINC000449149674	ref	6.86	-92.48	2	268.445	2.392	3	1	9	CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCC1
282120482	ZINC000449149674	mid	6.38	-96.61	2	268.445	2.392	3	1	9	CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC1
214176844	ZINC000337605827	ref	4.51	-9.8	0	260.337	2.021	2	2	3	O=C(NC1CC(c2ccccc2)C1)N[C@H]1CCOC1
214176848	ZINC000337603967	ref	6.82	-10.17	0	290.407	2.147	1	3	5	CCc1ccc([C@@H]2CN(C(=O)[C@H](CC)OC)CCN2)cc1
342598825	ZINC000590818925	ref	5.65	-11.86	0	294.355	1.755	2	5	6	CC(C)OC(=O)[C@H](C)NC(=O)Nc1cnn(CC2CC2)c1
365623732	ZINC000354682619	ref	4.52	-7.12	0	294.326	1.078	1	3	3	C[C@H]1OCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1
365623743	ZINC000354684223	ref	4.08	-12.64	0	288.351	1.664	1	5	4	COC1CCC(CNC(=O)c2cnn3ccncc23)CC1
214176850	ZINC000337603967	mid	7.94	-53.81	1	290.407	2.147	1	2	5	CCc1ccc([C@@H]2CN(C(=O)[C@H](CC)OC)CC[NH2+]2)cc1
214176854	ZINC000337603989	ref	6.78	-12.24	0	290.407	2.147	1	3	5	CCO[C@H](C)C(=O)N1CCN[C@H](c2ccc(CC)cc2)C1
214176855	ZINC000337603989	mid	8.05	-54.29	1	290.407	2.147	1	2	5	CCO[C@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1
214176858	ZINC000337604931	ref	2.8	-11.7	0	294.351	2.311	2	4	4	COc1cc(NC(=O)N[C@H]2CCO[C@@H]2C)c(C)c(OC)c1
214176862	ZINC000337602706	ref	4.35	-8.77	0	278.278	2.266	2	3	6	CCCC[C@@H](C)C(=O)NCc1nc(C(F)(F)F)n[nH]1
214176864	ZINC000337602706	high	4.3	-32.94	-1	278.278	2.266	1	3	6	CCCC[C@@H](C)C(=O)NCc1nnc(C(F)(F)F)[n-]1
214176865	ZINC000337602706	high	4.19	-33.24	-1	278.278	2.266	1	3	6	CCCC[C@@H](C)C(=O)NCc1n[n-]c(C(F)(F)F)n1
214176867	ZINC000337602706	high	4.21	-33.27	-1	278.278	2.266	1	3	6	CCCC[C@@H](C)C(=O)NCc1nc(C(F)(F)F)n[n-]1
214176870	ZINC000337602909	ref	3.84	-10.61	0	274.364	2.091	3	2	6	CC(C)[C@@H](CO)C(=O)NCCc1cccc2[nH]ccc12
214176875	ZINC000337602836	ref	5.91	-8.5	0	296.436	2.295	2	3	8	COC[C@@H](Cc1ccccc1)NC(=O)NC[C@H](C)SC
398246794	ZINC000394173016	ref	2.14	-7.56	0	212.293	0.917	2	3	6	CC[C@H](C#N)C(=O)NC[C@H](CO)C(C)C
282120494	ZINC000449150022	ref	5.75	-54.93	1	294.37	2.101	2	2	6	C[C@@H]1O[C@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(F)c1
214176883	ZINC000337604028	ref	7.53	-8.9	0	288.366	2.345	1	2	3	O=C([C@@H]1C[C@@H]1C1CC1)N1CCN[C@H](c2cccc(F)c2)C1
214176885	ZINC000337604028	low	8.82	-52.23	1	288.366	2.345	1	1	3	O=C([C@@H]1C[C@@H]1C1CC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1
214176888	ZINC000337602701	ref	2.02	-8.39	0	277.349	2.346	1	5	4	COc1cc(C(=O)N[C@@H](C)c2cncs2)cc(C)n1
365623733	ZINC000121858907	ref	5.59	-7.97	0	299.459	2.316	1	3	6	CCCCN(C)C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1
365623739	ZINC000121858907	mid	7.24	-38.94	1	299.459	2.316	2	2	6	CCCCN(C)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1
178293412	ZINC000237035536	ref	3.52	-53.95	1	356.488	1.691	1	4	9	CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1
178293415	ZINC000237035536	high	3.2	-16.8	0	356.488	1.691	1	5	9	CC[C@H](C)[C@@H](N)C(=O)N(C)CCCOc1cccc(S(C)(=O)=O)c1
178293420	ZINC000237019846	ref	4.14	-51.37	1	367.515	1.638	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
136228609	ZINC000182804659	low	9.42	-96.49	2	201.273	0.842	1	1	6	C#CC[NH+](CC#C)CCCn1cc[nH+]c1
136228610	ZINC000182804659	high	7.11	-9.81	0	201.273	0.842	0	3	6	C#CCN(CC#C)CCCn1ccnc1
178293424	ZINC000237019846	high	3.87	-12.07	0	367.515	1.638	2	4	6	CC[C@H](C)[C@H](N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
290623113	ZINC000492526310	ref	7.84	-16.8	0	298.386	2.135	1	2	5	Cc1ccc(/C=C\C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)cc1
342598826	ZINC000590819551	ref	6.62	-52.46	-1	287.367	1.756	0	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[n-]1
365623746	ZINC000121989173	ref	3.3	-7.84	0	286.375	2.403	1	4	4	Cc1cccc(N2CCN(Cc3ccc(CO)o3)CC2)c1
365623752	ZINC000121989173	mid	5.58	-41.3	1	286.375	2.403	2	3	4	Cc1cccc(N2CC[NH+](Cc3ccc(CO)o3)CC2)c1
365623760	ZINC000121846188	ref	5.92	-9.35	0	275.348	2.44	1	3	5	COc1cccc(/C=C/C(=O)NCC(=O)C(C)(C)C)c1
178293428	ZINC000237035472	ref	3.52	-53.4	1	356.488	1.691	1	4	9	CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1
365623764	ZINC000121844501	ref	4.31	-13.83	0	262.357	2.057	3	2	4	Cc1cc(C[C@H](C)NC(=O)N[C@@H]2C=CCCC2)[nH]n1
365623772	ZINC000121844501	mid	4.62	-11.93	0	262.357	2.057	3	2	4	Cc1cc(C[C@H](C)NC(=O)N[C@@H]2C=CCCC2)n[nH]1
178293433	ZINC000237035472	high	3.2	-16.02	0	356.488	1.691	1	5	9	CC[C@H](C)[C@@H](N)C(=O)N(C)CCCOc1ccc(S(C)(=O)=O)cc1
178293436	ZINC000237039068	ref	3.27	-50.08	1	352.504	1.494	1	5	6	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CC[NH2+]C3)CC2)cs1
365623774	ZINC000121964468	ref	4.65	-8.71	0	265.397	2.336	2	2	5	C[C@H](CCCO)NC(=O)C1C2CC3CC(C2)CC1C3
178293439	ZINC000237028642	ref	5.99	-48.99	1	352.523	1.025	1	3	7	CCN(CC)C(=O)CN1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1
365623781	ZINC000121938871	ref	7.4	-5.89	0	269.385	2.219	0	4	6	CCOC(=O)CN(C)[C@H]1C[C@@H](OCC)C12CCCC2
342598827	ZINC000590819551	mid	5.58	-29.21	0	287.367	1.756	1	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)[nH]1
342598828	ZINC000590820116	ref	7.22	-34.24	1	295.427	1.234	2	2	7	CCN(CC(=O)NC(C)C)C(=O)C[N@@H+]1CCC[C@@H]1C1CC1
214176851	ZINC000053303830	mid	7.78	-51.98	1	337.424	1.664	2	5	6	C[C@H]1C[C@@H](C)C[N@H+](C(C)(C)CNC(=O)Cn2cc([N+](=O)[O-])cn2)C1
349533231	ZINC000618807208	ref	7.21	-15.99	0	299.374	1.865	0	4	3	COc1ccc2c(c1)CCN(C(=O)Cc1cn(C)nc1C)C2
342598829	ZINC000590820116	mid	7.7	-34.61	1	295.427	1.234	2	2	7	CCN(CC(=O)NC(C)C)C(=O)C[N@H+]1CCC[C@@H]1C1CC1
342598830	ZINC000590820116	high	4.88	-13.15	0	295.427	1.234	1	3	7	CCN(CC(=O)NC(C)C)C(=O)CN1CCC[C@@H]1C1CC1
197598025	ZINC000290110251	ref	9.21	-42.64	1	272.392	3.267	2	1	4	CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C2CC2)C1
214176853	ZINC000053307855	ref	7.56	-26.88	0	328.328	1.331	1	6	6	Cc1cc(NC(=O)CN(C)C(=O)COc2ccccc2C#N)no1
349533241	ZINC000618807765	ref	6.38	-18.69	0	264.373	1.99	0	4	4	CC[C@@H]1CCCC[C@H]1C(=O)N(C)Cc1cn(C)nn1
365623737	ZINC000172821404	ref	2.64	-9.67	0	275.308	1.616	2	4	6	COc1cccc(O[C@H](C)CNC(=O)c2ccn[nH]2)c1
282120480	ZINC000422799420	high	7.59	-38.24	1	274.452	3.332	2	1	7	CCC(CC)(CN[C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1
282120487	ZINC000411398838	ref	7.44	-40.05	1	298.427	1.956	1	3	7	CCC(CC)(C[NH2+][C@@H](C)C(=O)N1CCCCC1)C(=O)OC
282120493	ZINC000411398838	high	6.46	-8.35	0	298.427	1.956	1	4	7	CCC(CC)(CN[C@@H](C)C(=O)N1CCCCC1)C(=O)OC
214176857	ZINC000053315748	ref	9.9	-12.29	0	344.414	3.766	1	2	2	Cc1ccc(C2=CCN(C(=O)c3cc4ccccc4c(=O)[nH]3)CC2)cc1
178293413	ZINC000082788283	ref	6.72	-6.25	0	256.53	3.959	0	1	0	Cc1ccc2cc(Cl)cc(Br)c2n1
197598026	ZINC000290110251	mid	9.5	-44.47	1	272.392	3.267	2	1	4	CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C2CC2)C1
197598028	ZINC000290110251	high	7.29	-7.11	0	272.392	3.267	1	2	4	CC(=O)Nc1ccccc1CN1CCC[C@@H](C2CC2)C1
342598831	ZINC000590819260	ref	7.56	-50.52	-1	297.362	1.39	0	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)[n-]1
300270121	ZINC000353806435	low	8.36	-43.01	1	279.449	2.937	1	1	2	C[C@H]1C[N@@H+](Cc2ccc(C(C)(C)C)cc2)CC[S@]1=O
342598832	ZINC000590819260	mid	6.69	-28.67	0	297.362	1.39	1	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)[nH]1
342598833	ZINC000590819600	ref	6.42	-47.86	-1	295.346	1.639	1	3	3	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[n-]1
365623738	ZINC000576541964	ref	5.61	-11.33	0	230.377	2.322	1	2	4	CC(C)SCCNC(=O)N1CCC1(C)C
365623742	ZINC000576546927	ref	5.4	-12.68	0	241.294	2.459	2	2	2	Cc1ccc(C(=O)Nc2cn[nH]c2)c2c1CCC2
365623745	ZINC000576546968	ref	6.17	-15.67	0	234.274	1.952	1	2	4	Cc1ccc(F)c(CC(=O)NC[C@@H](C)C#N)c1
136228611	ZINC000283260730	ref	3.74	-8.36	0	208.286	1.652	1	3	2	CC#CC(=O)N[C@@H](C)c1ncc(C)s1
214176852	ZINC000278475805	ref	2.3	-11.31	0	322.34	2.1	2	5	7	CO[C@@H](C)CCNC(=O)NCc1nc(-c2cccc(F)c2)no1
214176856	ZINC000278475198	ref	5.41	-7.53	0	308.334	2.067	1	5	4	COc1cc(C(=O)N[C@@H]2CCOC[C@H]2C)cc([N+](=O)[O-])c1C
214176859	ZINC000278475755	ref	2.16	-13.36	0	315.215	1.141	1	4	3	CNC(=O)C1CCN(Cc2c(Br)cnn2C)CC1
214176861	ZINC000278475755	low	4.5	-51.37	1	315.215	1.141	2	3	3	CNC(=O)C1CC[NH+](Cc2c(Br)cnn2C)CC1
342083532	ZINC000625336064	ref	5.56	-38.52	1	293.411	1.525	2	3	6	C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](C)c1ccco1
342083533	ZINC000625336064	mid	3.19	-6.6	0	293.411	1.525	1	4	6	C[C@H](CN1CCN(C)CC1)NC(=O)C[C@@H](C)c1ccco1
342083534	ZINC000625336064	mid	5.49	-41.68	1	293.411	1.525	2	3	6	C[C@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@@H](C)c1ccco1
178293426	ZINC000082788568	ref	6.53	-8.14	0	256.53	3.959	0	1	0	Cc1cc(Br)nc2c(Cl)cccc12
342083535	ZINC000625335876	ref	5.11	-13.84	0	288.338	1.939	1	2	3	CC[C@@H]1C(=O)NCCN1C(=O)CC1CCC(F)(F)CC1
342083536	ZINC000625336403	ref	3.91	-9.77	0	264.251	1.6	1	3	3	CCN(C)C(=O)NCc1c(C(F)(F)F)cnn1C
342083537	ZINC000625336797	ref	3.85	-11.96	0	289.401	1.386	1	5	9	CCC[C@H](CNS(=O)(=O)c1cncn1CC)OCC
136228612	ZINC000283246887	ref	5.81	-8.2	0	223.272	1.0	1	3	3	CC#CC(=O)N[C@@H](C)C(=O)OC1CCCC1
342083538	ZINC000625336529	ref	3.85	-31.69	1	278.4	1.791	1	4	7	CCN(Cc1cncc(OC)n1)C[C@H]1CCC[N@@H+]1CC
342083539	ZINC000625336529	mid	2.64	-36.59	1	278.4	1.791	1	4	7	CCN(Cc1cncc(OC)n1)C[C@H]1CCC[N@H+]1CC
342083540	ZINC000238072651	ref	4.5	-50.44	1	299.374	1.268	2	2	3	[NH3+]C[C@@H]1CCCN(C(=O)Cc2cc3ccccc3[nH]c2=O)C1
365623749	ZINC000175921958	ref	0.7	-14.15	0	230.264	1.314	2	2	2	CNC(=O)Nc1ccc([S@](C)=O)c(F)c1
185386277	ZINC000096746489	ref	6.37	-53.93	-1	314.382	1.613	1	5	4	CC[C@H](NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(=O)[O-]
365623756	ZINC000576544687	ref	7.16	-40.98	1	246.398	2.722	1	1	6	C[C@H]1CCN(CC[NH2+]C[C@@H](C)c2ccccc2)C1
136228613	ZINC000283275740	ref	6.96	-9.62	0	215.296	2.238	1	1	3	CC#CC(=O)NC[C@@H](C)c1ccc(C)cc1
398246796	ZINC000076768846	ref	6.84	-39.11	1	235.356	2.175	1	3	5	CSC[C@H](C)[NH2+]Cc1cnn2ccccc12
398246798	ZINC000076768846	high	5.64	-7.66	0	235.356	2.175	1	4	5	CSC[C@H](C)NCc1cnn2ccccc12
342083541	ZINC000625344712	ref	8.07	-38.99	1	268.401	1.744	1	2	7	CCO[C@H](C[N@@H+]1CCN(CC)C(=O)[C@H]1CC)C1CC1
295666583	ZINC000412990071	ref	6.31	-10.66	0	320.389	2.562	1	4	6	Cc1ccc([C@@]2(C)NC(=O)N(CCOCC3CCCC3)C2=O)o1
295666587	ZINC000412988986	ref	5.61	-9.31	0	302.758	2.512	1	3	4	C[C@H]1NC(=O)N(CCSc2ccc(F)c(Cl)c2)C1=O
282120483	ZINC000533451531	ref	7.17	-13.5	0	283.368	1.746	0	4	6	COCCC1(C(=O)N2CCC[C@H]2C(=O)OC(C)C)CC1
282120491	ZINC000533450970	ref	0.44	-9.68	0	284.381	1.394	2	5	5	CC(C)c1ncc(C(=O)NC[C@H](O)[C@H]2CCOC2)s1
365623741	ZINC000565298776	ref	3.94	-17.14	0	299.277	1.456	2	4	4	O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CCNCC1(F)F
282120497	ZINC000533445391	ref	6.77	-36.7	1	270.417	1.99	1	2	6	CC(C)CN(C(=O)C[N@H+](C)C1CCOCC1)C(C)C
290623115	ZINC000492526643	ref	3.97	-14.27	0	270.288	2.448	2	4	4	COc1ccc(/C=C/C(=O)Nc2ncccc2O)cc1
365623750	ZINC000565298776	mid	5.28	-61.3	1	299.277	1.456	2	3	4	O=C(NCc1cccc([N+](=O)[O-])c1)[C@H]1CC[NH2+]CC1(F)F
365623755	ZINC000565302570	ref	4.5	-12.71	0	271.324	1.212	0	6	6	COCCN(Cc1cnc2c(C#N)cnn2c1)C1CC1
210256240	ZINC000004710048	ref	11.55	-19.71	0	344.754	3.481	0	6	4	C/C(Cn1c(=O)oc2ccccc21)=N\OC(=O)c1ccc(Cl)cc1
197598036	ZINC000162884281	ref	8.12	-53.06	-1	306.391	2.196	0	7	5	CC(C)(C)n1c(Cc2ccncc2)nnc1SCC(=O)[O-]
197598039	ZINC000162879107	ref	4.31	-11.84	0	301.188	2.122	2	4	2	C[C@@H]1CCC[C@@H](C)N1Nc1cn[nH]c(=O)c1Br
214176869	ZINC000053304044	ref	10.22	-42.52	1	347.459	3.01	2	3	6	C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)Cc2ccccc2[N+](=O)[O-])C1
197598041	ZINC000162884673	ref	5.96	-49.79	-1	310.379	2.482	0	8	4	Cc1nc(C)c(-c2nnc(SCC(=O)[O-])n2C(C)(C)C)o1
365623761	ZINC000565302570	mid	6.96	-54.74	1	271.324	1.212	1	5	6	COCC[N@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1
259308768	ZINC000306288814	mid	3.72	-39.27	-1	211.673	3.169	0	3	1	[O-]c1ccc(-c2cncs2)cc1Cl
342083542	ZINC000625344712	mid	7.53	-42.0	1	268.401	1.744	1	2	7	CCO[C@H](C[N@H+]1CCN(CC)C(=O)[C@H]1CC)C1CC1
342083543	ZINC000625344712	mid	5.88	-8.07	0	268.401	1.744	0	3	7	CCO[C@H](CN1CCN(CC)C(=O)[C@H]1CC)C1CC1
342083544	ZINC000625336045	ref	5.57	-38.99	1	293.411	1.525	2	3	6	C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](C)c1ccco1
342598834	ZINC000590819600	mid	5.87	-27.85	0	295.346	1.639	2	3	3	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2C[C@H]2c2ccccc2)[nH]1
342598835	ZINC000590819252	ref	5.82	-47.49	-1	275.356	1.97	1	3	4	CC(C)=CCC[C@H](C)NC(=O)N=c1[n-]n(C)cc1C#N
214176863	ZINC000278475831	ref	6.21	-38.46	1	309.429	2.462	1	3	7	CCC[C@H]1CN(Cc2ccc(F)nc2C)CC[N@@H+]1CCOC
342598836	ZINC000590819252	mid	5.13	-25.14	0	275.356	1.97	2	3	4	CC(C)=CCC[C@H](C)NC(=O)N=c1[nH]n(C)cc1C#N
342598837	ZINC000590819712	ref	4.53	-47.64	-1	259.313	1.336	1	3	2	Cn1cc(C#N)c(=NC(=O)NCC2=CCCCC2)[n-]1
342598838	ZINC000590819712	mid	3.99	-26.76	0	259.313	1.336	2	3	2	Cn1cc(C#N)c(=NC(=O)NCC2=CCCCC2)[nH]1
342600629	ZINC000590841141	ref	7.06	-44.64	1	282.363	1.508	2	2	6	C[N@H+](CCCCNC(=O)N1CC[C@](F)(C#N)C1)C1CC1
197598034	ZINC000290109971	ref	0.46	-11.38	0	275.23	1.094	2	3	3	CC(C)(NC(=O)c1cncc(C(F)(F)F)c1)C(N)=O
197598035	ZINC000290108618	ref	6.32	-34.22	1	299.415	2.314	1	3	3	CN(Cc1cscn1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1
197598037	ZINC000290108618	mid	6.2	-34.7	1	299.415	2.314	1	3	3	CN(Cc1cscn1)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1
197598038	ZINC000290108618	high	3.98	-6.37	0	299.415	2.314	0	4	3	CN(Cc1cscn1)C(=O)[C@@]1(F)CCN(C(C)(C)C)C1
214176866	ZINC000278475831	mid	6.3	-38.37	1	309.429	2.462	1	3	7	CCC[C@H]1CN(Cc2ccc(F)nc2C)CC[N@H+]1CCOC
197598040	ZINC000290108458	ref	3.96	-38.88	1	292.404	3.32	1	4	6	COc1ccc(C[NH2+][C@@H](C)c2sccc2C)c(OC)n1
197598042	ZINC000290108458	mid	2.76	-5.58	0	292.404	3.32	1	5	6	COc1ccc(CN[C@@H](C)c2sccc2C)c(OC)n1
197598046	ZINC000290110409	ref	8.96	-13.84	0	286.379	2.346	1	4	7	CCC[C@@H](CCc1ccccc1)NC(=O)c1ncn(C)n1
230236701	ZINC000340066026	ref	-3.05	-17.44	0	265.335	-1.432	3	4	8	CCCNC(=O)CNC(=O)CNS(=O)(=O)CC
230236708	ZINC000337993752	ref	-1.25	-10.97	0	251.308	-1.411	1	4	6	CCNS(=O)(=O)N1CC(=O)N(CCOC)C1
230236718	ZINC000338581146	ref	-1.9	-17.98	0	274.321	-1.028	3	4	7	CNC(=O)NC1CN(C(=O)NCCOCCOC)C1
230236728	ZINC000336842982	ref	2.71	-23.52	0	281.312	-1.08	1	6	4	Cn1c(=O)ccn(CC(=O)N2CCC[C@@H]2CCO)c1=O
230236742	ZINC000340060070	ref	-1.18	-10.45	0	257.29	-1.514	2	4	4	CCOCCNC(=O)C(=O)N1CCNC(=O)[C@@H]1C
230236751	ZINC000339310134	ref	-0.21	-6.58	0	299.371	-1.07	1	5	4	C[C@@H](CNC(=O)C(=O)N1CCOCC1)CN1CCOCC1
230236761	ZINC000339310134	mid	1.97	-42.84	1	299.371	-1.07	2	4	4	C[C@@H](CNC(=O)C(=O)N1CCOCC1)C[NH+]1CCOCC1
230236767	ZINC000339314433	ref	-2.1	-11.98	0	258.318	-1.025	2	5	4	CCN1CCO[C@@H](C(=O)NC[C@@]2(O)CCOC2)C1
365623744	ZINC000623051765	mid	-0.02	-12.91	0	304.437	1.597	1	6	5	COc1ncc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)s1
178293443	ZINC000237028642	low	8.49	-94.51	2	352.523	1.025	2	2	7	CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1
178293447	ZINC000237022151	ref	5.87	-48.16	1	365.503	1.175	2	5	5	CCn1cc(NC(=O)C2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cn1
178293453	ZINC000237022151	high	4.63	-18.44	0	365.503	1.175	2	6	5	CCn1cc(NC(=O)C2CCN(C(=O)C[C@@H]3CSCCN3)CC2)cn1
178293455	ZINC000237034847	ref	5.46	-13.87	0	358.486	1.818	1	4	4	CN(C(=O)CN1CCN(C(=O)c2ccccc2N)CC1)C1CCCCC1
178293458	ZINC000237029754	ref	3.27	-49.86	1	356.264	1.669	3	2	7	CC[C@H](C)[C@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1
365623748	ZINC000623052971	ref	6.92	-57.78	1	312.377	1.328	2	4	2	O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CC[NH2+]CC1
178293461	ZINC000237029754	high	2.95	-11.1	0	356.264	1.669	3	3	7	CC[C@H](C)[C@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1
178293463	ZINC000237033825	ref	8.2	-41.7	1	373.497	1.735	2	3	7	CCc1ccccc1OCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178293467	ZINC000237022467	ref	7.7	-54.85	1	352.523	1.912	2	2	6	CC[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)NCC(C)C)C2)CC1
178293471	ZINC000237028874	ref	7.69	-57.07	-1	369.215	1.781	1	4	5	CC[C@H](NC(=O)[C@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)[O-]
178293477	ZINC000237026213	ref	4.95	-46.5	1	372.513	1.993	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)C2([NH3+])CCCCC2)CC1
365623753	ZINC000623052971	mid	5.61	-17.37	0	312.377	1.328	2	5	2	O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N1CCNCC1
365623757	ZINC000623053546	ref	1.16	-16.36	0	301.35	1.865	2	5	2	Cc1nc(NC(=O)N2CCNC[C@H]2c2cccnc2)oc1C
178293481	ZINC000237026213	high	5.39	-13.89	0	372.513	1.993	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)C2(N)CCCCC2)CC1
178293482	ZINC000237033123	ref	5.61	-51.4	-1	371.231	1.794	2	4	7	CC[C@@H](C)[C@@H](NC(=O)CNC(=O)c1cccc(Br)c1)C(=O)[O-]
178293487	ZINC000237028770	ref	5.99	-50.33	1	352.523	1.025	1	3	7	CCN(CC)C(=O)CN1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1
178293490	ZINC000237028770	low	8.49	-92.36	2	352.523	1.025	2	2	7	CCN(CC)C(=O)C[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1
365623762	ZINC000623053546	mid	2.5	-64.32	1	301.35	1.865	2	4	2	Cc1nc(NC(=O)N2CC[NH2+]C[C@H]2c2cccnc2)oc1C
398249555	ZINC000100407006	mid	6.11	-38.6	-1	222.675	2.843	0	2	2	CCc1cc(=O)n(-c2ccc(Cl)cc2)[n-]1
342083545	ZINC000625336045	mid	3.21	-6.9	0	293.411	1.525	1	4	6	C[C@@H](CN1CCN(C)CC1)NC(=O)C[C@H](C)c1ccco1
342083546	ZINC000625336045	mid	5.58	-41.7	1	293.411	1.525	2	3	6	C[C@@H](C[NH+]1CCN(C)CC1)NC(=O)C[C@H](C)c1ccco1
342083547	ZINC000238095073	ref	4.97	-12.63	0	288.376	1.532	2	5	4	O=C(Nc1ccn(Cc2ccccc2)n1)[C@@H]1CSCN1
342083548	ZINC000238095073	low	6.18	-44.39	1	288.376	1.532	2	4	4	O=C(Nc1ccn(Cc2ccccc2)n1)[C@@H]1CSC[NH2+]1
342088540	ZINC000621363519	ref	1.88	-44.78	1	280.368	1.357	2	4	7	CCOc1cncc(C[NH2+][C@H](CO)[C@H]2CCCOC2)c1
365623747	ZINC000354683727	ref	6.46	-15.75	0	258.387	1.207	0	3	5	CSCC[C@@H](C)N(C)C(=O)[C@@H]1CCC(=O)N1C
178293459	ZINC000082787927	ref	1.76	-16.64	0	255.277	2.814	0	5	3	Cc1ccc2cccc(OCc3nnc(C)o3)c2n1
365623751	ZINC000354682360	ref	6.59	-9.1	0	278.396	1.546	0	3	4	C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CCN(CC2CC2)CC1
398246797	ZINC000651452999	ref	8.16	-10.86	0	285.391	3.261	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]1c1ccncc1
365623754	ZINC000354682360	mid	8.8	-48.03	1	278.396	1.546	1	2	4	C[C@H]1C(=O)CC[C@@H]1CC(=O)N1CC[NH+](CC2CC2)CC1
365623758	ZINC000354682710	ref	2.73	-15.93	0	258.281	1.124	2	4	3	Cc1cc(C)c(CNC(=O)c2cncnc2)c(=O)[nH]1
342088541	ZINC000621363519	high	0.54	-8.01	0	280.368	1.357	2	5	7	CCOc1cncc(CN[C@H](CO)[C@H]2CCCOC2)c1
136228614	ZINC000283268782	ref	0.76	-39.15	-1	230.676	1.255	1	3	2	CC#CCNC(=O)c1s[n-]c(=O)c1Cl
365623765	ZINC000354682357	ref	6.59	-9.08	0	278.396	1.546	0	3	4	C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CCN(CC2CC2)CC1
365623769	ZINC000354682357	mid	8.8	-48.16	1	278.396	1.546	1	2	4	C[C@@H]1C(=O)CC[C@H]1CC(=O)N1CC[NH+](CC2CC2)CC1
342088542	ZINC000600314904	ref	7.33	-42.98	1	256.415	1.73	2	2	5	C[N@@H+]1CCCC[C@H](CNC(=O)CSC2CC2)C1
342088543	ZINC000600314904	mid	7.41	-42.14	1	256.415	1.73	2	2	5	C[N@H+]1CCCC[C@H](CNC(=O)CSC2CC2)C1
342088544	ZINC000121354567	ref	3.0	-14.16	0	270.358	1.962	2	5	6	CC[C@@H](COC)NC(=O)Nc1nnc(C2CC2)s1
178293473	ZINC000082787940	ref	2.31	-16.8	0	269.304	3.122	0	5	3	Cc1cc(C)c2cccc(OCc3nnc(C)o3)c2n1
342088545	ZINC000121422015	ref	5.52	-19.48	0	296.421	1.469	1	6	7	Cn1cncc1CCNC(=O)CSCc1cscn1
342088546	ZINC000121422015	low	6.04	-43.92	1	296.421	1.469	1	5	7	Cn1c[nH+]cc1CCNC(=O)CSCc1cscn1
342088547	ZINC000121410508	ref	6.66	-15.42	0	275.356	1.245	1	5	6	CC(C)Cn1cc(C(=O)NCCc2cncn2C)cn1
398249557	ZINC000381274641	ref	5.19	-35.41	1	231.38	2.452	1	2	8	CC[C@@H](C)[C@H](C[NH2+]CCOC(C)(C)C)OC
349533235	ZINC000621480487	ref	8.44	-8.9	0	250.386	3.007	1	1	4	CC[C@@H]1CCC[C@@H]1NC(=O)N1CC(CC2CC2)C1
365623759	ZINC000576544687	low	9.6	-118.75	2	246.398	2.722	2	0	6	C[C@H]1CC[N@@H+](CC[NH2+]C[C@@H](C)c2ccccc2)C1
349533239	ZINC000621482553	ref	4.17	-14.97	0	298.346	3.046	2	4	5	C[C@@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2cccnn2)cc1
190492284	ZINC000269411781	ref	8.01	-9.53	0	269.32	3.421	0	4	4	Cc1cccc(CN(C)c2nnc(C(F)F)s2)c1
282120485	ZINC000175124037	ref	5.12	-12.82	0	331.351	1.104	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(F)c1C)CC2
349533244	ZINC000621481832	ref	4.16	-14.92	0	298.346	3.189	2	4	4	CC1(C)C[C@H]1NC(=O)Nc1ccc(Oc2cccnn2)cc1
365623763	ZINC000576544687	low	9.61	-118.98	2	246.398	2.722	2	0	6	C[C@H]1CC[N@H+](CC[NH2+]C[C@@H](C)c2ccccc2)C1
365623767	ZINC000576543872	ref	8.49	-5.47	0	249.398	3.365	1	1	5	CC1(C)CCC[C@@H]1CNC(=O)C(C1CC1)C1CC1
365638832	ZINC000274368405	ref	4.45	-20.55	0	283.303	1.49	1	4	6	CCOCCOC1CN(C(=O)Nc2cccc(F)n2)C1
365638835	ZINC000274368906	ref	4.13	-22.92	0	286.422	1.69	0	4	5	Cc1ncc(/C=C/C(=O)N(C)[C@@H](C)C[S@](C)=O)s1
295666588	ZINC000412989065	ref	8.86	-15.09	0	304.302	2.823	0	6	2	CC1(C)CCC[C@H](n2c(=O)oc3ccc([N+](=O)[O-])cc32)C1=O
214176868	ZINC000278475831	high	3.94	-6.17	0	309.429	2.462	0	4	7	CCC[C@H]1CN(Cc2ccc(F)nc2C)CCN1CCOC
214176871	ZINC000278475824	ref	4.55	-17.83	0	302.348	1.146	0	6	7	COC(=O)Cc1ccc(OS(=O)(=O)C[C@H](C)OC)cc1
342598839	ZINC000590819576	ref	3.6	-48.54	-1	291.355	1.042	1	4	5	COCC1(CCNC(=O)N=c2[n-]n(C)cc2C#N)CCC1
214176873	ZINC000278474991	ref	9.24	-10.95	0	308.381	2.587	1	2	5	C#CCC(CC#C)C(=O)Nc1ccc2c(c1)CCC(=O)N2CC
342598840	ZINC000590819576	mid	3.04	-27.44	0	291.355	1.042	2	4	5	COCC1(CCNC(=O)N=c2[nH]n(C)cc2C#N)CCC1
342598841	ZINC000590819381	ref	5.15	-46.82	-1	275.356	1.804	1	3	3	CC[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CCCC1
342598842	ZINC000590819381	mid	4.4	-24.31	0	275.356	1.804	2	3	3	CC[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1
349533250	ZINC000621480488	ref	8.43	-8.76	0	250.386	3.007	1	1	4	CC[C@H]1CCC[C@H]1NC(=O)N1CC(CC2CC2)C1
342598843	ZINC000590819647	ref	7.0	-52.29	-1	289.383	1.858	0	3	2	CC(C)[C@@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H]1C(C)C
342598844	ZINC000590819647	mid	6.41	-29.48	0	289.383	1.858	1	3	2	CC(C)[C@@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)[C@@H]1C(C)C
365638837	ZINC000274368322	ref	5.49	-49.58	1	279.388	1.964	3	3	5	C[NH+](C)CC[C@H](NC(=O)Nc1cncnc1)C(C)(C)C
178293451	ZINC000001618932	ref	7.79	-13.91	0	214.22	3.156	0	3	0	Cc1cc2c(ccc3c(C)cc(=O)oc32)o1
178293454	ZINC000027214469	ref	5.72	-10.96	0	230.267	1.301	0	4	1	Cc1cc2c(n1C)C(=O)C=C(N1C[C@H]1C)C2=O
398246799	ZINC000076769133	ref	7.52	-38.72	1	249.379	2.804	1	2	5	CSC[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1
178293460	ZINC000158724479	ref	3.69	-5.3	0	235.327	2.59	1	3	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2NC1COC1
178293462	ZINC000158724479	mid	4.98	-38.68	1	235.327	2.59	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@H]2[NH2+]C1COC1
178293465	ZINC000041730886	ref	1.52	-41.98	1	221.304	1.179	2	2	2	Cc1cc2c(n1[C@H](C)C(N)=O)CCC[C@H]2[NH3+]
365623766	ZINC000565302570	mid	7.2	-52.48	1	271.324	1.212	1	5	6	COCC[N@@H+](Cc1cnc2c(C#N)cnn2c1)C1CC1
398246801	ZINC000076769133	high	6.46	-5.59	0	249.379	2.804	1	3	5	CSC[C@@H](C)NCC1=Cc2ccccc2OC1
349533246	ZINC000594965166	ref	7.78	-60.68	1	294.351	2.508	1	4	8	COc1ccc(C[NH2+]CCC2CC(OC)C2)cc1[N+](=O)[O-]
178293470	ZINC000000064441	ref	7.12	-8.94	0	240.218	2.51	0	4	1	Cc1cc2c(cc1[N+](=O)[O-])-c1ncccc1C2=O
398246803	ZINC000076768849	ref	6.85	-37.67	1	235.356	2.175	1	3	5	CSC[C@@H](C)[NH2+]Cc1cnn2ccccc12
178293479	ZINC000095459855	ref	7.59	-14.25	0	217.228	1.789	0	4	2	Cc1cc2c(cc1[N+](=O)[O-])N(CC#N)CC2
398246805	ZINC000076768849	high	5.78	-7.24	0	235.356	2.175	1	4	5	CSC[C@@H](C)NCc1cnn2ccccc12
398246806	ZINC000394170692	ref	4.18	-7.74	0	249.354	2.298	2	2	5	Cc1ccc(C(=O)NC[C@@H](CO)C(C)C)c(C)c1
398246809	ZINC000605451160	ref	3.67	-20.29	0	247.279	1.902	1	4	1	Cn1ccc(=NC(=O)c2cc3occc3s2)[nH]1
398246811	ZINC000076763805	ref	2.55	-6.88	0	200.263	0.434	1	3	0	CN1C(=O)NC2(CCSCC2)C1=O
282120490	ZINC000248955413	ref	4.98	-12.73	0	312.435	1.843	0	4	7	CCCN(CCc1ccccn1)S(=O)(=O)[C@H]1CCO[C@H]1C
398246813	ZINC000076765668	ref	4.82	-12.12	0	248.326	1.774	1	2	4	CC(C)CNC(=O)c1ccc(C(=O)N(C)C)cc1
398246816	ZINC000306200342	ref	2.14	-8.78	0	214.677	1.691	1	4	3	N#Cc1nc(SCCO)ccc1Cl
398246819	ZINC000335869685	ref	6.45	-14.29	0	215.256	1.36	1	3	3	C[C@H]1C[C@H]1CC(=O)Nc1ccc(C#N)cn1
398246821	ZINC000624591484	ref	7.73	-5.04	0	232.327	3.343	0	3	3	CCC1(c2noc(C34CC(C3)C4)n2)CCCC1
178293502	ZINC000049814690	ref	7.12	-4.97	0	209.72	3.729	0	1	0	Cc1cc2c(nc1Cl)[C@H](C)[C@H](C)CC2
178293504	ZINC000049453920	ref	6.39	-12.81	0	219.269	2.755	1	4	0	Cc1cc2c(cc3c(=S)[nH]nc(C)n32)o1
178293505	ZINC000075422978	ref	-1.42	-11.21	0	212.278	0.001	4	5	2	Cc1cc2c(s1)N[C@@H](CNN)NC2=O
214176872	ZINC000053305318	ref	5.77	-46.03	1	333.432	1.167	1	4	4	C[NH+](C)CCN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1
214176874	ZINC000053305318	high	3.29	-10.27	0	333.432	1.167	0	5	4	CN(C)CCN1CCN(C(=O)c2ccc3c(c2)OCCCO3)CC1
342598845	ZINC000194619102	ref	5.48	-19.89	0	274.32	1.881	1	4	5	C=C(C)CNC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1
342598846	ZINC000590819025	ref	6.98	-92.86	2	286.46	1.824	3	2	8	CC(C)OC[C@@H](O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1
342598847	ZINC000590819025	mid	6.99	-93.89	2	286.46	1.824	3	2	8	CC(C)OC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1
342598848	ZINC000590819654	ref	4.08	-48.64	-1	283.282	1.271	1	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC2(F)F)[n-]1
342598849	ZINC000590819654	mid	3.39	-30.04	0	283.282	1.271	2	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCC2(F)F)[nH]1
282120492	ZINC000245690426	ref	9.39	-53.15	1	347.434	1.755	1	2	4	CN1C(=O)C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1ccc(F)cc1
342598850	ZINC000590819755	ref	7.45	-53.77	-1	285.351	1.366	0	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)[n-]1
342598851	ZINC000590819755	mid	6.69	-29.53	0	285.351	1.366	1	3	2	Cn1cc(C#N)c(=NC(=O)N2C[C@@H](C3CC3)[C@@H]2C2CC2)[nH]1
342598852	ZINC000590819646	ref	7.17	-48.66	-1	289.383	1.858	0	3	2	CC(C)[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@H]1C(C)C
342598853	ZINC000590819646	mid	6.86	-25.98	0	289.383	1.858	1	3	2	CC(C)[C@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)[C@H]1C(C)C
342598854	ZINC000616986026	ref	6.75	-15.21	0	254.374	1.892	0	2	4	CC[C@@H](C)N(CC)C(=O)C1CCN(C(C)=O)CC1
342598855	ZINC000590820074	ref	4.45	-34.93	1	269.385	1.417	2	3	7	O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]1C1CC1
342598856	ZINC000590820074	mid	4.91	-34.91	1	269.385	1.417	2	3	7	O[C@H](COC[C@H]1CCCO1)C[N@H+]1CCC[C@@H]1C1CC1
342598857	ZINC000590819892	ref	5.21	-46.94	-1	275.356	1.806	1	3	2	Cn1cc(C#N)c(=NC(=O)NCC2CCCCCC2)[n-]1
214176876	ZINC000053299946	ref	6.83	-19.52	0	327.359	3.156	1	3	3	CC(=O)Nc1ccc(F)c(C(=O)N2CCC[C@@H]2c2ccncc2)c1
214176879	ZINC000053299591	ref	5.41	-49.88	1	331.185	1.789	1	2	4	O=C(CCOc1ccc(F)cc1Br)N1CC[NH2+]CC1
214176881	ZINC000053299591	mid	4.12	-7.24	0	331.185	1.789	1	3	4	O=C(CCOc1ccc(F)cc1Br)N1CCNCC1
168365339	ZINC000368508391	low	8.28	-49.02	1	333.378	3.462	2	2	5	O[C@H](CC[N@H+]1CCO[C@@H](c2ccc(F)c(F)c2)C1)c1ccccc1
342598858	ZINC000590819892	mid	4.51	-26.23	0	275.356	1.806	2	3	2	Cn1cc(C#N)c(=NC(=O)NCC2CCCCCC2)[nH]1
365623768	ZINC000623051523	ref	4.0	-5.81	0	307.438	1.508	1	5	5	CN(C[C@@H](O)CN1CCOCC1)c1cc(C(C)(C)C)ccn1
365623773	ZINC000623051523	mid	4.35	-31.43	1	307.438	1.508	1	4	5	CN(C[C@@H](O)CN1CCOCC1)c1cc(C(C)(C)C)cc[nH+]1
365623778	ZINC000623051523	low	6.73	-92.49	2	307.438	1.508	2	3	5	CN(C[C@@H](O)C[NH+]1CCOCC1)c1cc(C(C)(C)C)cc[nH+]1
365623785	ZINC000623053519	ref	4.65	-48.04	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1
214176878	ZINC000278473737	ref	6.58	-8.56	0	304.39	2.907	1	3	3	COC(=O)NC(C)(C)C(=O)N1C[C@@H](C(C)C)c2ccccc21
365623792	ZINC000623053441	ref	3.53	-54.47	1	309.366	1.538	2	4	5	C[NH2+][C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1
365623798	ZINC000623053440	ref	3.56	-54.2	1	309.366	1.538	2	4	5	C[NH2+][C@H]1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1
214176882	ZINC000278473716	ref	3.87	-13.59	0	321.373	2.149	2	5	4	CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc(O)cc2O)C1
365623803	ZINC000623050981	ref	5.33	-36.93	1	316.449	1.821	3	4	5	O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cnc(C3CC3)nc2)CC1
342598859	ZINC000590819382	ref	5.7	-48.36	-1	275.356	1.804	1	3	3	CC[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CCCC1
342598860	ZINC000590819382	mid	4.54	-24.38	0	275.356	1.804	2	3	3	CC[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1
214176886	ZINC000278473716	high	4.82	-57.08	-1	321.373	2.149	1	5	4	CCOC(=O)[C@]1(C(C)C)CCN(C(=O)c2ccc(O)cc2[O-])C1
214176890	ZINC000278475655	ref	6.16	-44.15	1	314.71	3.303	1	2	8	C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(Cl)cn1
365623809	ZINC000623050981	low	6.52	-116.43	2	316.449	1.821	3	3	5	O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cnc(C3CC3)nc2)CC1
365623813	ZINC000623051958	ref	2.89	-12.12	0	313.354	1.404	1	4	1	O=C(Nc1ccc(F)cn1)N1CCS(=O)(=O)[C@H]2CCC[C@H]21
365623817	ZINC000623052016	ref	5.72	-50.57	0	303.41	1.772	2	2	4	CC1(C)CCC[N@@H+]1CCNC(=O)N=c1ccc(C2CC2)n[n-]1
365623822	ZINC000623052016	mid	5.72	-50.59	0	303.41	1.772	2	2	4	CC1(C)CCC[N@H+]1CCNC(=O)N=c1ccc(C2CC2)n[n-]1
342598861	ZINC000616986027	ref	6.9	-15.08	0	254.374	1.892	0	2	4	CC[C@H](C)N(CC)C(=O)C1CCN(C(C)=O)CC1
214176893	ZINC000278475655	mid	4.9	-7.49	0	314.71	3.303	1	3	8	C[C@@H](NCCOCC(F)(F)C(F)F)c1ccc(Cl)cn1
282120496	ZINC000171103627	ref	5.31	-13.86	0	347.806	1.618	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C)c(Cl)c1)CC2
259308770	ZINC000187713075	ref	0.24	-40.69	1	220.338	-0.094	3	3	7	CSC[C@@H](O)C[N@H+](CC(N)=O)C(C)C
178293480	ZINC000082788551	ref	7.12	-6.88	0	250.139	3.923	0	1	0	Cc1cc(C)c2c(C)cc(Br)nc2c1
214176884	ZINC000053313047	ref	5.21	-10.75	0	332.161	2.676	2	4	2	Cc1cccnc1C(=O)Nc1[nH]nc2ncc(Br)cc12
214176887	ZINC000053313047	mid	5.24	-10.75	0	332.161	2.676	2	4	2	Cc1cccnc1C(=O)Nc1n[nH]c2ncc(Br)cc12
214176889	ZINC000053314884	ref	9.73	-12.66	0	339.464	3.707	1	3	3	COc1ccc([C@H]2CC(c3ccc(C)c(C)c3)=NN2C(N)=S)cc1
342083549	ZINC000625338118	ref	2.93	-38.75	1	285.306	1.427	2	3	7	CC[N@H+](CCOC1CCOCC1)C[C@H](O)C(F)(F)F
210256245	ZINC000004709922	ref	10.73	-12.34	0	341.414	4.416	1	3	4	Cn1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)cc2ccccc21
282120498	ZINC000263084630	ref	8.96	-35.88	0	255.402	3.436	1	2	7	CCC(CC)(C[NH2+][C@@H](C)C1CCCCC1)C(=O)[O-]
365623770	ZINC000172820308	ref	5.43	-16.79	0	265.313	1.267	1	5	4	CCn1nc(C)c(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)c1C
214176892	ZINC000053299119	ref	5.13	-49.14	1	340.265	1.703	1	2	5	CN(CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Br
365623775	ZINC000172822112	ref	3.58	-8.63	0	289.408	1.872	0	6	3	Cc1nccc(N2CCN(Cc3csc(C)n3)CC2)n1
365623777	ZINC000172822112	low	4.03	-35.27	1	289.408	1.872	0	5	3	Cc1nc(N2CCN(Cc3csc(C)n3)CC2)cc[nH+]1
365623780	ZINC000172822661	ref	5.1	-13.05	0	275.308	1.549	1	6	6	COCCOc1ccc(Nc2nccn(C)c2=O)cc1
214176895	ZINC000053299119	mid	7.55	-95.53	2	340.265	1.703	2	1	5	C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Br
365623782	ZINC000172821477	ref	5.77	-38.9	1	262.357	1.086	1	4	3	Cc1nccc(N2CC[NH+](C[C@@H]3CCCO3)CC2)n1
342083550	ZINC000625338118	mid	3.5	-39.13	1	285.306	1.427	2	3	7	CC[N@@H+](CCOC1CCOCC1)C[C@H](O)C(F)(F)F
178293488	ZINC000082788376	ref	7.47	-5.28	0	250.139	3.923	0	1	0	Cc1cc(C)c2cc(Br)cc(C)c2n1
342083551	ZINC000625338118	mid	1.2	-4.57	0	285.306	1.427	1	4	7	CCN(CCOC1CCOCC1)C[C@H](O)C(F)(F)F
342083552	ZINC000625336978	ref	2.72	-13.98	0	272.251	1.568	1	3	3	CC[C@@H]1C(=O)NCCN1C(=O)c1coc(C(F)F)c1
214176898	ZINC000053299119	mid	7.51	-96.92	2	340.265	1.703	2	1	5	C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1Br
365623786	ZINC000172821477	mid	3.42	-7.45	0	262.357	1.086	0	5	3	Cc1nccc(N2CCN(C[C@@H]3CCCO3)CC2)n1
365623789	ZINC000172821477	low	6.21	-83.76	2	262.357	1.086	1	3	3	Cc1nc(N2CC[NH+](C[C@@H]3CCCO3)CC2)cc[nH+]1
259308772	ZINC000187713075	mid	-0.04	-41.31	1	220.338	-0.094	3	3	7	CSC[C@@H](O)C[N@@H+](CC(N)=O)C(C)C
365638834	ZINC000625088811	high	5.63	-10.2	0	310.36	2.146	0	3	8	CCCN(CC(F)(F)F)C(=O)CN(CC)C[C@@H]1CCOC1
349533247	ZINC000621225359	ref	2.18	-12.52	0	294.273	2.184	2	4	5	Cc1onc(CO)c1C(=O)NCC(C)(C)CC(F)(F)F
365623771	ZINC000354682076	ref	6.95	-13.21	0	258.325	1.942	1	4	4	CC(C)[C@@H](NC(=O)c1ncn(C)n1)c1ccccc1
365623776	ZINC000367179084	ref	4.93	-11.07	0	275.32	1.163	0	4	6	CCOC(=O)C1(F)CN(C(=O)C(C)(C)CCOC)C1
365623779	ZINC000354683723	ref	6.16	-14.88	0	258.387	1.207	0	3	5	CSCC[C@@H](C)N(C)C(=O)[C@H]1CCC(=O)N1C
365623784	ZINC000354683244	ref	3.85	-23.46	0	283.397	1.034	1	4	5	CC(C)c1nccn1CCC(=O)N[C@H]1CC[S@](=O)C1
178293492	ZINC000237031142	ref	10.66	-65.7	-1	371.437	1.731	0	5	5	Cc1cc2ccccc2n1CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1
178293498	ZINC000237025478	ref	9.62	-60.11	-1	362.47	1.84	0	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1C2CC3CC(C2)CC1C3
178293508	ZINC000237039413	ref	2.13	-47.01	1	359.264	1.678	3	3	8	CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br
365623787	ZINC000354683244	mid	4.32	-46.73	1	283.397	1.034	1	3	5	CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[S@](=O)C1
178293511	ZINC000237039413	high	1.85	-8.87	0	359.264	1.678	3	4	8	CC[C@H](C)[C@H](N)C(=O)NC[C@@H](O)COc1ccccc1Br
178293512	ZINC000237026687	ref	9.64	-105.22	2	366.55	1.415	1	3	7	CCN(CC)C(=O)CN1CCCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1
178293516	ZINC000237026687	mid	9.67	-98.95	2	366.55	1.415	2	2	7	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1
178293519	ZINC000237026687	mid	9.64	-105.22	2	366.55	1.415	2	2	7	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1
178293522	ZINC000237033076	ref	10.16	-62.31	-1	362.401	1.711	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1
178293527	ZINC000237033401	ref	6.31	-45.71	1	364.534	1.311	1	3	5	CN(C(=O)CN1CCN(C(=O)CC2CC[NH2+]CC2)CC1)C1CCCCC1
365623791	ZINC000354682164	ref	5.5	-13.42	0	278.352	1.624	0	4	5	CC[C@H]1CO[C@H](C)CN1C(=O)COCc1cccnc1
178293529	ZINC000237023005	ref	4.99	-52.53	1	355.442	1.78	2	4	5	CCn1cc(NC(=O)C2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cn1
178293534	ZINC000237023005	mid	4.67	-17.88	0	355.442	1.78	2	5	5	CCn1cc(NC(=O)C2CCN(C(=O)[C@H](N)c3ccccc3)CC2)cn1
342598862	ZINC000590819645	ref	6.66	-51.73	-1	289.383	1.858	0	3	2	CC(C)[C@H]1CN(C(=O)N=c2[n-]n(C)cc2C#N)[C@@H]1C(C)C
365623796	ZINC000354682878	ref	6.12	-37.97	1	299.459	1.912	3	2	10	CCCN(CC[NH+]1CCCC1)C(=O)NCCC[C@@H](C)CO
365623783	ZINC000121938871	mid	8.77	-36.62	1	269.385	2.219	1	3	6	CCOC(=O)C[N@@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2
349533249	ZINC000618807364	ref	5.65	-10.57	0	290.289	1.752	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CC[C@@H](C(F)(F)F)C1
365623788	ZINC000121938871	mid	8.86	-34.71	1	269.385	2.219	1	3	6	CCOC(=O)C[N@H+](C)[C@H]1C[C@@H](OCC)C12CCCC2
365623790	ZINC000121936078	ref	6.49	-6.98	0	272.348	2.159	1	3	2	O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1ccncc1
290623116	ZINC000338917792	ref	3.11	-16.09	0	321.381	0.807	3	4	5	CNC(=O)c1c(NC(=O)C[C@H](C)N2CCCCC2=O)n[nH]c1C
290623122	ZINC000337257427	ref	1.0	-51.8	-1	319.346	0.75	2	5	4	CNC(=O)c1c([N-]S(=O)(=O)c2ccc(C#N)cc2)n[nH]c1C
365623795	ZINC000121845489	ref	7.26	-10.26	0	277.364	2.494	1	3	5	Cc1cccc(O[C@H](C)C(=O)NCC(=O)C(C)(C)C)c1
342083553	ZINC000625337985	ref	7.48	-39.56	1	292.423	1.624	2	2	2	O=C([C@@H]1CCCC12CC2)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
259308774	ZINC000187713075	mid	-1.85	-9.46	0	220.338	-0.094	2	4	7	CSC[C@@H](O)CN(CC(N)=O)C(C)C
342083554	ZINC000625337985	mid	5.28	-7.42	0	292.423	1.624	1	3	2	O=C([C@@H]1CCCC12CC2)N1CCN([C@@H]2CCC[C@@H]2O)CC1
197598092	ZINC000290110220	ref	4.66	-45.98	1	261.369	1.374	2	2	5	CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccn1
295666590	ZINC000412988623	ref	10.25	-13.67	0	321.329	2.908	0	6	4	COC(=O)c1ccc([N+](=O)[O-])c(O[C@H]2CCCC(C)(C)C2=O)c1
212170887	ZINC000335492429	ref	7.94	-9.76	0	269.747	3.046	0	1	3	CC(C)(C(=O)N1CC(CF)C1)c1ccccc1Cl
342083555	ZINC000625337676	ref	2.31	-16.47	0	297.302	1.268	1	4	5	Cn1ncc(C(F)(F)F)c1CNS(=O)(=O)CC1CC1
342083556	ZINC000625337912	ref	2.3	-40.01	1	293.407	1.407	4	3	8	C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1
342083557	ZINC000625337647	ref	2.18	-13.01	0	293.429	1.679	1	4	8	CCC[C@H](CNS(=O)(=O)[C@H]1CCO[C@H](C)C1)OCC
342083558	ZINC000625337088	ref	4.76	-51.22	1	294.37	1.664	2	2	4	CC(=O)N1CC[C@@H]([NH2+]Cc2cc(CO)ccc2F)[C@@H](C)C1
342083559	ZINC000625337088	high	3.67	-10.72	0	294.37	1.664	2	3	4	CC(=O)N1CC[C@@H](NCc2cc(CO)ccc2F)[C@@H](C)C1
342083560	ZINC000625337323	ref	3.31	-9.88	0	293.429	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@H](OC)C1CC1)OCC
342083561	ZINC000625337749	ref	1.57	-11.01	0	286.397	1.752	2	4	8	CCC[C@H](CNS(=O)(=O)c1ccc(N)cc1)OCC
342083562	ZINC000625338120	ref	3.7	-6.77	0	294.351	1.279	0	5	3	Cc1cc(C2(C(=O)N(C)[C@H]3CCOC3)CCOCC2)on1
342083563	ZINC000625337893	ref	3.14	-10.57	0	298.427	1.105	1	4	5	CCO[C@H](C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)C(C)C
342083564	ZINC000625337893	mid	5.63	-45.1	1	298.427	1.105	2	3	5	CCO[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C
342083565	ZINC000625337065	ref	5.98	-33.4	1	262.401	1.8	2	3	6	CCN(Cc1ccnc(N)c1)C[C@H]1CCC[N@@H+]1CC
214176894	ZINC000337605434	ref	1.28	-14.96	0	255.318	0.084	2	3	3	CC(C)N1C[C@H](NC(=O)N[C@@H]2CCOC2)CC1=O
342083566	ZINC000625337065	mid	4.92	-36.61	1	262.401	1.8	2	3	6	CCN(Cc1ccnc(N)c1)C[C@H]1CCC[N@H+]1CC
342083567	ZINC000625337890	ref	3.38	-11.8	0	298.427	1.105	1	4	5	CCO[C@H](C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1)C(C)C
178293509	ZINC000082788630	ref	6.76	-3.31	0	290.975	4.613	0	1	0	Cc1cc(Br)nc2cc(Cl)cc(Cl)c12
342083568	ZINC000625337890	mid	5.52	-47.19	1	298.427	1.105	2	3	5	CCO[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)C
178293513	ZINC000082788571	ref	6.42	-4.78	0	256.53	3.959	0	1	0	Cc1cc(Br)nc2ccc(Cl)cc12
185090324	ZINC000096078753	ref	5.98	-10.08	0	281.363	1.645	0	5	3	Cc1cnc(N2CC3(CCN3Cc3cccnc3)C2)nc1
342083569	ZINC000625337573	ref	6.5	-32.98	1	251.378	1.419	2	3	6	CCN(Cc1nnc(C)[nH]1)C[C@H]1CCC[N@@H+]1CC
214176897	ZINC000337602624	ref	-1.0	-10.66	0	265.26	0.32	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@@H]1CCC[C@@H]1OC(F)F
214176901	ZINC000337603055	ref	4.34	-41.19	1	270.373	0.659	2	3	6	CC(=O)CCC(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1
136228615	ZINC000334511259	ref	5.54	-7.12	0	246.31	1.802	1	2	2	CCC1CN(C(=O)C(=O)Nc2ccc(C)cc2)C1
342083570	ZINC000625337573	mid	5.34	-40.72	1	251.378	1.419	2	3	6	CCN(Cc1nnc(C)[nH]1)C[C@H]1CCC[N@H+]1CC
342083571	ZINC000625337573	mid	6.2	-29.98	1	251.378	1.419	2	3	6	CCN(Cc1n[nH]c(C)n1)C[C@H]1CCC[N@@H+]1CC
178293521	ZINC000082788441	ref	5.16	-7.68	0	252.111	3.314	0	2	1	COc1ccc(Br)c2c(C)ccnc12
342083572	ZINC000625337573	mid	5.05	-35.75	1	251.378	1.419	2	3	6	CCN(Cc1n[nH]c(C)n1)C[C@H]1CCC[N@H+]1CC
342083573	ZINC000625337648	ref	2.43	-13.16	0	293.429	1.679	1	4	8	CCC[C@H](CNS(=O)(=O)[C@H]1CCO[C@@H](C)C1)OCC
342083574	ZINC000625338074	ref	-2.12	-6.88	0	279.262	1.23	1	5	6	CCN(Cc1cncc(OC)n1)C[C@@H](O)C(F)(F)F
342083575	ZINC000625338074	low	1.03	-42.38	1	279.262	1.23	2	4	6	CC[N@@H+](Cc1cncc(OC)n1)C[C@@H](O)C(F)(F)F
342083576	ZINC000625338074	low	1.07	-42.62	1	279.262	1.23	2	4	6	CC[N@H+](Cc1cncc(OC)n1)C[C@@H](O)C(F)(F)F
342083577	ZINC000625337015	ref	5.24	-9.65	0	278.385	1.7	0	7	4	CC(C)c1nnc(CN2CC[C@@H](n3cncn3)C2)s1
342083578	ZINC000625337015	low	7.73	-48.29	1	278.385	1.7	1	6	4	CC(C)c1nnc(C[N@@H+]2CC[C@@H](n3cncn3)C2)s1
214176903	ZINC000337603055	mid	4.62	-40.54	1	270.373	0.659	2	3	6	CC(=O)CCC(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1
342598863	ZINC000590819645	mid	6.14	-28.71	0	289.383	1.858	1	3	2	CC(C)[C@H]1CN(C(=O)N=c2[nH]n(C)cc2C#N)[C@@H]1C(C)C
342598864	ZINC000616986293	ref	6.92	-11.47	0	292.379	1.829	1	3	8	CC[C@@H](C)N(CC)C(=O)CNC(=O)COc1ccccc1
178293507	ZINC000001896547	ref	5.03	-11.49	0	216.24	0.912	0	4	1	Cc1cc2c(n1C)C(=O)C=C(N1CC1)C2=O
342598865	ZINC000590820073	ref	5.02	-34.75	1	269.385	1.417	2	3	7	O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1C1CC1
197598084	ZINC000162891444	ref	5.95	-59.75	-1	300.399	2.134	2	4	5	C[C@@H]1CCCC[C@@]1(NC(=O)NCCOC(C)(C)C)C(=O)[O-]
178293514	ZINC000000058203	ref	5.14	-5.55	0	229.308	1.458	3	3	0	Cc1cc2c(s1)Nc1ccccc1NC2=N
342598866	ZINC000590820073	mid	4.93	-34.46	1	269.385	1.417	2	3	7	O[C@H](COC[C@@H]1CCCO1)C[N@H+]1CCC[C@H]1C1CC1
342598867	ZINC000590819832	ref	4.79	-48.07	-1	261.329	1.414	1	3	2	C[C@@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CCCC1
168365639	ZINC000306737542	ref	0.9	-53.39	1	193.25	0.547	2	2	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccncc1
365623793	ZINC000172822020	ref	4.58	-8.97	0	269.352	1.502	0	5	3	Cc1nccc(N2CCN(Cc3ccccn3)CC2)n1
178293518	ZINC000000058203	mid	5.06	-28.12	1	229.308	1.458	3	2	0	Cc1cc2c(s1)Nc1ccccc1NC2=[NH2+]
178293523	ZINC000041730832	ref	1.87	-46.13	1	221.304	1.008	2	2	3	Cc1cc2c(n1CCC(N)=O)CCC[C@@H]2[NH3+]
178293524	ZINC000049814699	ref	7.28	-4.65	0	209.72	3.414	0	1	0	Cc1cc2c(nc1Cl)C[C@@H](C)[C@H](C)C2
185090325	ZINC000096078753	low	8.92	-41.59	1	281.363	1.645	1	4	3	Cc1cnc(N2CC3(CC[N@@H+]3Cc3cccnc3)C2)nc1
178293526	ZINC000026148457	ref	6.33	-9.39	0	212.204	2.363	0	3	0	Cc1cc2c(o1)C(=O)c1ccccc1C2=O
365623794	ZINC000172822020	low	6.88	-41.52	1	269.352	1.502	1	4	3	Cc1nccc(N2CC[NH+](Cc3ccccn3)CC2)n1
365623797	ZINC000172822020	low	7.32	-87.11	2	269.352	1.502	1	3	3	Cc1nc(N2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1
365623799	ZINC000565296813	ref	2.55	-16.19	0	280.349	1.014	1	4	5	CC1(CS(=O)(=O)NCc2ccc(C#N)cc2)COC1
398246800	ZINC000651454932	ref	9.61	-8.36	0	284.403	3.477	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCCc2ccccc2C1
365623804	ZINC000172823018	ref	4.29	-10.91	0	269.366	1.942	1	4	7	COc1cccc(O[C@H](C)CNC(=O)CSC)c1
365623807	ZINC000172821116	ref	7.67	-16.86	0	266.37	1.797	1	6	6	CCCc1cc(SC[C@H](C)CO)n2ncnc2n1
365623810	ZINC000172826782	ref	7.51	-16.87	0	274.32	1.65	1	3	4	COC(=O)CN(C)C(=O)Cc1c[nH]c2c(C)cccc12
342598868	ZINC000590819832	mid	4.04	-25.62	0	261.329	1.414	2	3	2	C[C@@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1
214176899	ZINC000053299119	high	3.83	-8.07	0	340.265	1.703	1	3	5	CN(CCC(=O)N1CCNCC1)Cc1ccccc1Br
214176902	ZINC000053319115	ref	10.09	-9.06	0	333.436	2.382	2	6	10	C=CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1CCCCCCCC
210256126	ZINC000265955414	ref	1.5	-18.57	0	372.443	0.461	1	6	8	COc1ccc(S(=O)(=O)CCC(=O)N[C@H](C)C(=O)N(C)C)cc1OC
190492290	ZINC000269410729	ref	3.5	-11.71	0	275.352	1.773	2	4	5	CC1=NN(c2ccc(C(=O)N[C@H](C)CCO)cc2)CC1
214176906	ZINC000053304226	ref	6.67	-43.29	1	338.452	0.753	2	3	5	C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CN2C(=O)CN(C)C2=O)C1
214176909	ZINC000053303470	ref	8.59	-40.41	1	348.447	2.785	2	4	5	Cc1ncc([N+](=O)[O-])cc1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1
349533252	ZINC000594965981	ref	8.33	-42.67	1	293.455	2.74	3	1	7	O=C(NCCCC1CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1
349533255	ZINC000594965981	mid	5.84	-7.1	0	293.455	2.74	3	1	7	O=C(NCCCC1CCCC1)N[C@H]1CC[N@@H+](CC2CC2)C1
214176912	ZINC000053305452	ref	8.85	-48.49	1	328.46	1.656	1	3	5	Cc1cc2ccccc2n1CC(=O)N1CCN(CC[NH+](C)C)CC1
342598869	ZINC000590819255	ref	4.72	-54.3	-1	298.35	1.208	1	4	3	Cn1cc(C#N)c(=NC(=O)NCC(C)(C)c2ccccn2)[n-]1
222609203	ZINC000125797892	ref	6.1	-13.27	0	348.457	1.992	1	9	7	COCCc1nnc(SCc2nnc(-c3ccccc3)s2)n1N
214176915	ZINC000053305452	high	6.37	-13.28	0	328.46	1.656	0	4	5	Cc1cc2ccccc2n1CC(=O)N1CCN(CCN(C)C)CC1
398246802	ZINC000651454399	ref	8.12	-7.32	0	250.386	3.151	1	1	1	CC1(C)CCCN(C(=O)NC2CC3(CCC3)C2)C1
214176920	ZINC000053304424	ref	6.94	-45.03	1	336.48	2.573	2	4	7	Cc1noc(CCCC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1
214176924	ZINC000053316635	ref	7.48	-9.75	0	341.411	3.053	1	5	6	C=CCN(Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C1CCCC1
214176925	ZINC000053316635	mid	9.55	-46.15	1	341.411	3.053	2	4	6	C=CC[N@@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C1CCCC1
214176928	ZINC000053316635	mid	9.53	-48.14	1	341.411	3.053	2	4	6	C=CC[N@H+](Cc1nc2cc(C(=O)OC)ccc2c(=O)[nH]1)C1CCCC1
342598870	ZINC000590819255	mid	4.16	-33.14	0	298.35	1.208	2	4	3	Cn1cc(C#N)c(=NC(=O)NCC(C)(C)c2ccccn2)[nH]1
210256132	ZINC000265955705	ref	2.39	-31.28	0	373.5	0.222	1	4	6	CS(=O)(=O)N1CCN(C(=O)NCC[S@](=O)Cc2ccccc2)CC1
349533258	ZINC000594965981	high	5.84	-7.1	0	293.455	2.74	2	2	7	O=C(NCCCC1CCCC1)N[C@H]1CCN(CC2CC2)C1
197598094	ZINC000162891870	ref	7.18	-14.46	0	310.369	2.861	2	3	5	CC(C)(CNC(=O)NO[C@H]1CCCCO1)c1ccc(F)cc1
365623800	ZINC000354682878	high	3.67	-10.16	0	299.459	1.912	2	3	10	CCCN(CCN1CCCC1)C(=O)NCCC[C@@H](C)CO
365623802	ZINC000354682100	ref	4.67	-7.94	0	287.425	1.831	1	4	6	O=C(NCCCOC1CCOCC1)[C@H]1CCCSC1
365623805	ZINC000354684361	ref	6.33	-38.9	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)C1
282120499	ZINC000248955591	ref	1.79	-18.46	0	311.415	1.6	0	9	7	CCS[C@H](C)c1noc(CN(C)[C@H](C)c2nnnn2C)n1
282120511	ZINC000248957375	ref	4.46	-11.28	0	317.433	1.854	2	3	6	CCC[C@]1(C)C(=O)NCCN1CC(=O)N[C@H](C)c1ccccc1
282120521	ZINC000248957375	low	5.9	-42.52	1	317.433	1.854	3	2	6	CCC[C@]1(C)C(=O)NCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1
365623808	ZINC000354684361	mid	6.31	-37.74	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@H]2C)C1
365623811	ZINC000354684361	high	3.89	-8.35	0	281.4	1.289	1	3	3	CO[C@@H]1CCCN(C(=O)N[C@@H]2CN(C3CC3)C[C@H]2C)C1
365623815	ZINC000354683728	ref	2.76	-18.84	0	295.302	1.63	0	6	3	O=C(c1ccc(-c2cnco2)cc1)N1CC(n2ccnn2)C1
365623820	ZINC000354682098	ref	4.67	-7.9	0	287.425	1.831	1	4	6	O=C(NCCCOC1CCOCC1)[C@@H]1CCCSC1
365623823	ZINC000354682216	ref	1.3	-10.71	0	250.289	1.348	3	2	7	C[C@H](CO)CCCNC(=O)N[C@@H]1C[C@H]1C(F)F
185090326	ZINC000096078753	low	8.93	-39.85	1	281.363	1.645	1	4	3	Cc1cnc(N2CC3(CC[N@H+]3Cc3cccnc3)C2)nc1
365623826	ZINC000354683580	ref	4.6	-9.32	0	270.373	1.764	1	3	3	CO[C@@H]1CCCN(C(=O)N[C@H]2CCCC[C@H]2OC)C1
365623829	ZINC000354681674	ref	5.11	-45.6	1	295.427	1.282	2	2	5	CC1CCC(N(C)C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC1
365623830	ZINC000354681531	ref	4.14	-22.25	0	295.404	1.826	1	3	5	COc1ccccc1[C@H](C)CC(=O)N[C@@H]1CC[S@@](=O)C1
365623833	ZINC000354681758	ref	9.24	-87.33	2	284.363	1.716	2	2	4	CC1=CC[N@H+](CCNC(=O)c2ccc3c[nH+]cn3c2)CC1
365623835	ZINC000354681758	mid	9.24	-87.36	2	284.363	1.716	2	2	4	CC1=CC[N@@H+](CCNC(=O)c2ccc3c[nH+]cn3c2)CC1
365623838	ZINC000354681758	mid	6.66	-38.82	1	284.363	1.716	1	3	4	CC1=CCN(CCNC(=O)c2ccc3c[nH+]cn3c2)CC1
365623841	ZINC000354681758	high	6.15	-11.47	0	284.363	1.716	1	4	4	CC1=CCN(CCNC(=O)c2ccc3cncn3c2)CC1
282120524	ZINC000248957375	low	5.79	-37.46	1	317.433	1.854	3	2	6	CCC[C@]1(C)C(=O)NCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1
365623801	ZINC000121987011	ref	5.61	-40.7	1	269.41	2.483	1	2	6	CC(C)[C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1
349533253	ZINC000621224956	ref	4.16	-14.72	0	282.303	2.005	1	5	4	Cn1cc(C(=O)NCc2ccoc2)c(-c2ccncc2)n1
365623806	ZINC000121987011	high	4.93	-9.84	0	269.41	2.483	1	3	6	CC(C)[C@@H](C)N[C@@H](C)CS(=O)(=O)c1ccccc1
365623812	ZINC000121898403	ref	3.42	-38.95	1	291.313	2.183	3	2	7	C[C@H](CCO)[N@@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F
282120500	ZINC000533445391	mid	6.77	-37.08	1	270.417	1.99	1	2	6	CC(C)CN(C(=O)C[N@@H+](C)C1CCOCC1)C(C)C
282120502	ZINC000533445391	high	4.57	-8.72	0	270.417	1.99	0	3	6	CC(C)CN(C(=O)CN(C)C1CCOCC1)C(C)C
365623819	ZINC000121898403	mid	3.45	-39.45	1	291.313	2.183	3	2	7	C[C@H](CCO)[N@H+](Cc1ccccc1)C[C@H](O)C(F)(F)F
299072421	ZINC000358088143	mid	9.0	-89.1	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C
299072424	ZINC000358088143	mid	8.93	-90.02	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C
299072426	ZINC000358088143	mid	7.06	-44.71	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C
342083579	ZINC000625337015	low	7.6	-49.23	1	278.385	1.7	1	6	4	CC(C)c1nnc(C[N@H+]2CC[C@@H](n3cncn3)C2)s1
342083580	ZINC000625337909	ref	2.24	-36.62	1	293.407	1.407	4	3	8	C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCC1
342083581	ZINC000625338186	ref	3.95	-33.78	1	257.374	1.417	2	3	7	CC(C)(O)C[N@H+](CCOC1CCOCC1)C1CC1
214176900	ZINC000278474973	ref	6.1	-21.37	0	317.357	2.787	1	4	8	CC(=O)CSCC(=O)N[C@@H](C)c1ccccc1OC(F)F
342083582	ZINC000625338186	mid	4.38	-31.84	1	257.374	1.417	2	3	7	CC(C)(O)C[N@@H+](CCOC1CCOCC1)C1CC1
259308776	ZINC000229343406	ref	4.87	-56.48	-1	237.255	1.071	1	4	4	C[C@@H](C(=O)[O-])C(=O)N(C)Cc1cccc(O)c1
282120505	ZINC000533449807	ref	4.46	-40.15	1	295.427	1.126	3	2	6	CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2(C(N)=O)CCC2)C1
282120510	ZINC000533449807	mid	4.4	-39.27	1	295.427	1.126	3	2	6	CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2(C(N)=O)CCC2)C1
282120512	ZINC000533445337	ref	5.83	-16.1	0	291.376	1.89	0	4	2	Cn1cnc2cc(S(=O)(=O)N3CCC34CCC4)ccc21
342083583	ZINC000625337774	ref	1.69	-9.68	0	292.379	1.229	2	4	3	Cc1cccc(O)c1C(=O)N1CCN(CC(C)(C)O)CC1
342083584	ZINC000625337774	mid	3.45	-38.59	1	292.379	1.229	3	3	3	Cc1cccc(O)c1C(=O)N1CC[NH+](CC(C)(C)O)CC1
342083585	ZINC000625337774	high	2.45	-52.58	-1	292.379	1.229	1	4	3	Cc1cccc([O-])c1C(=O)N1CCN(CC(C)(C)O)CC1
365623814	ZINC000172821605	ref	4.07	-9.21	0	260.366	1.86	0	5	3	c1cnnc(N2CCN(Cc3cccs3)CC2)c1
365623816	ZINC000172821605	mid	6.52	-40.64	1	260.366	1.86	1	4	3	c1cnnc(N2CC[NH+](Cc3cccs3)CC2)c1
178293533	ZINC000000163989	ref	4.71	-12.12	0	202.173	0.713	0	5	0	Cc1cc2c(ccc3c2no[n+]3[O-])nn1
178293540	ZINC000022057594	ref	4.64	-8.83	0	230.292	3.366	2	3	0	Cc1cc2c(s1)Nc1ccccc1NC2=O
290623117	ZINC000492526643	high	4.73	-46.2	-1	270.288	2.448	1	4	4	COc1ccc(/C=C/C(=O)Nc2ncccc2[O-])cc1
178293544	ZINC000041726600	ref	1.35	-43.51	1	207.277	0.618	2	2	2	Cc1cc2c(n1CC(N)=O)CCC[C@@H]2[NH3+]
178293550	ZINC000049035716	ref	2.83	-14.38	0	243.262	2.383	2	3	1	Cc1cc2c(o1)c(C)cc1c(CO)cc(=O)[nH]c12
178293555	ZINC000075619839	ref	7.71	-49.67	-1	210.298	2.735	0	3	1	Cc1cc2c(s1)CCC[C@]2(C)C(=O)[O-]
178293557	ZINC000027214298	ref	4.21	-12.52	0	207.258	1.18	1	4	0	Cc1cc2c(s1)NC1=NC(=O)CN1C2
342083586	ZINC000625337649	ref	2.11	-9.44	0	293.429	1.679	1	4	8	CCC[C@H](CNS(=O)(=O)[C@@H]1CCO[C@@H](C)C1)OCC
178293563	ZINC000028756905	ref	8.45	-13.66	0	228.247	3.464	0	3	0	Cc1cc2c(o1)c(C)cc1c(C)cc(=O)oc12
365623818	ZINC000172827941	ref	5.94	-10.74	0	281.4	1.709	0	4	6	COC[C@@H](C)N(C)C(=O)[C@H](C)Cc1c(C)nn(C)c1C
365638836	ZINC000625083791	ref	6.85	-11.69	0	317.307	2.117	0	3	6	COCCN(CC(F)F)C(=O)[C@H]1COc2cc(F)ccc2C1
178293567	ZINC000049814709	ref	7.43	-4.49	0	209.72	4.044	0	1	0	Cc1cc2c(nc1Cl)[C@@H](C)CC[C@H]2C
178293571	ZINC000052009046	ref	5.79	-12.92	0	247.338	2.792	1	3	1	Cc1cc2c(n1[C@@H]1CCCC[C@H]1O)CCCC2=O
178293576	ZINC000038157567	ref	9.68	-38.66	1	243.375	3.634	1	1	1	Cc1cc2c(s1)C[N@H+](C)C[C@H]2c1ccccc1
365638839	ZINC000625085088	ref	6.55	-13.42	0	315.417	2.148	2	2	4	Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2CNC(N)=O)c1
365638841	ZINC000625087945	ref	9.29	-12.86	0	316.405	2.358	1	5	7	CCO[C@@H](C(=O)N[C@H](c1nnc2ccccn12)C(C)C)C1CC1
365638842	ZINC000625084790	ref	8.67	-11.74	0	322.453	2.272	0	6	7	CCc1nnc(N2CCC(CCOC)CC2)n1C[C@H]1CCCO1
178293577	ZINC000038157567	mid	10.12	-37.66	1	243.375	3.634	1	1	1	Cc1cc2c(s1)C[N@@H+](C)C[C@H]2c1ccccc1
178293579	ZINC000038157567	high	7.74	-2.93	0	243.375	3.634	0	2	1	Cc1cc2c(s1)CN(C)C[C@H]2c1ccccc1
398246804	ZINC000651454999	ref	7.58	-10.03	0	274.364	3.111	1	2	2	O=C(NC1CC2(CCC2)C1)N1CC[C@H](c2ccco2)C1
365638844	ZINC000625086430	ref	4.23	-7.99	0	310.419	2.337	1	4	7	CC(C)Oc1cncc(S(=O)(=O)NCC2(C3CC3)CC2)c1
306234521	ZINC000557853537	ref	6.41	-14.66	0	343.493	1.917	1	3	5	CS(=O)(=O)N1CCCC[C@H]1CNC(=O)N(C1CCCC1)C1CC1
342598871	ZINC000194619094	ref	5.47	-18.02	0	274.32	1.881	1	4	5	C=C(C)CNC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1
214176907	ZINC000337603055	high	1.86	-8.98	0	270.373	0.659	1	4	6	CC(=O)CCC(=O)N1CCC(N(C)C[C@@H](C)O)CC1
214176910	ZINC000337604015	ref	7.77	-42.09	1	287.407	2.112	2	2	5	O=C(NCC[NH+]1CCC1)c1ccc(N2CCCCC2)cc1
214176914	ZINC000337604015	mid	4.58	-10.03	0	287.407	2.112	1	3	5	O=C(NCCN1CCC1)c1ccc(N2CCCCC2)cc1
214176917	ZINC000337604144	ref	4.24	-38.57	1	269.389	0.842	1	2	4	CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC(=O)N(C)[C@@H](C)C1
197598096	ZINC000162895567	ref	8.17	-53.9	-1	311.338	2.289	0	7	6	CCn1c(SCC(=O)[O-])nnc1-c1c(F)cccc1OC
342598872	ZINC000616986069	ref	5.83	-13.57	0	295.383	1.498	1	3	5	CC[C@H](C)N(CC)C(=O)CN1C(=O)NC2(CCCC2)C1=O
342598873	ZINC000590819898	ref	5.25	-47.47	-1	275.356	1.661	1	3	3	Cn1cc(C#N)c(=NC(=O)NCC(C)(C)C2CCC2)[n-]1
214176919	ZINC000337604468	ref	4.79	-11.05	0	281.368	2.042	2	3	6	CSCC[C@H](O)C(=O)NCC1CCC(F)(F)CC1
214176922	ZINC000337603459	ref	6.02	-11.88	0	264.373	2.167	2	3	4	CC[C@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)nc21
214176927	ZINC000337603459	low	5.96	-32.21	1	264.373	2.167	2	2	4	CC[C@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21
214176930	ZINC000337602632	ref	0.46	-15.47	0	258.318	-0.63	2	4	7	CCN(CCOCCO)C(=O)[C@H]1CCNC(=O)C1
136228616	ZINC000334511257	ref	7.52	-10.22	0	230.311	2.931	1	1	1	Cc1ccc(NC(=O)N2CC3(CC3)C2)c(C)c1
136228617	ZINC000283279935	ref	4.22	-10.44	0	222.313	1.387	1	3	4	CC#CCNC(=O)Cc1nc(CC)cs1
214176936	ZINC000337603330	ref	-0.35	-10.71	0	285.388	0.264	2	4	5	C[C@H](O)C[C@H]1CCCN1C(=O)NCCN1CCOCC1
214176938	ZINC000337603330	low	2.16	-45.96	1	285.388	0.264	3	3	5	C[C@H](O)C[C@H]1CCCN1C(=O)NCC[NH+]1CCOCC1
214176941	ZINC000337605719	ref	5.68	-9.22	0	282.384	0.925	0	4	7	CC(=O)CCC(=O)N(CC1CC1)C[C@H]1CN(C)CCO1
136228618	ZINC000283264868	ref	4.14	-8.88	0	207.273	1.228	1	2	1	CC#CC(=O)N[C@H]1CCOC2(CCC2)C1
214176944	ZINC000337605719	low	7.68	-43.69	1	282.384	0.925	1	3	7	CC(=O)CCC(=O)N(CC1CC1)C[C@H]1C[N@H+](C)CCO1
214176946	ZINC000337605719	low	8.1	-43.04	1	282.384	0.925	1	3	7	CC(=O)CCC(=O)N(CC1CC1)C[C@H]1C[N@@H+](C)CCO1
214176949	ZINC000337604610	ref	8.08	-37.5	1	295.471	3.127	3	1	4	CC[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C(C)C)CC1
214176952	ZINC000337603995	ref	7.0	-11.39	0	290.407	2.147	1	3	5	CCO[C@@H](C)C(=O)N1CCN[C@@H](c2ccc(CC)cc2)C1
190492294	ZINC000269413904	ref	2.83	-20.06	0	265.309	1.153	2	4	6	CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)CO)c1
342598874	ZINC000590819898	mid	4.68	-26.68	0	275.356	1.661	2	3	3	Cn1cc(C#N)c(=NC(=O)NCC(C)(C)C2CCC2)[nH]1
349533254	ZINC000618808488	ref	3.74	-26.74	0	289.339	1.189	0	6	5	CCOc1nc(C)ccc1C(=O)N(C)Cc1cn(C)nn1
349533260	ZINC000618808080	ref	5.97	-27.72	0	298.35	1.282	0	6	3	Cc1nc2ccc(C(=O)N(C)Cc3cn(C)nn3)cc2n1C
365623821	ZINC000121898403	mid	1.65	-4.93	0	291.313	2.183	2	3	7	C[C@H](CCO)N(Cc1ccccc1)C[C@H](O)C(F)(F)F
365623824	ZINC000121844853	ref	5.86	-7.72	0	265.309	2.223	1	4	6	CCOc1ccccc1NC(=O)[C@H](C)CC(=O)OC
349533267	ZINC000618808080	low	6.41	-49.4	1	298.35	1.282	0	5	3	Cc1[nH+]c2ccc(C(=O)N(C)Cc3cn(C)nn3)cc2n1C
349533271	ZINC000618806731	ref	5.92	-9.87	0	275.348	1.741	1	3	3	COc1ccc2c(c1)CCN(C(=O)[C@H](O)C1CCC1)C2
295666591	ZINC000354039269	ref	3.04	-10.01	0	311.407	-0.122	2	4	2	O=C1C[C@H]2CC[C@@H](CN1)N2C(=O)C(=O)NC[C@@H]1CCCS1
365623827	ZINC000121983733	ref	6.63	-13.06	0	292.354	2.042	0	3	2	C[C@@H]1CC[C@@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)O1
365623831	ZINC000121888687	ref	4.79	-6.97	0	276.336	2.061	1	4	2	Cc1cc(C(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)no1
342598875	ZINC000590819658	ref	6.81	-50.14	-1	287.367	1.758	0	3	1	Cn1cc(C#N)c(=NC(=O)N2CC(C3CCCCC3)C2)[n-]1
197598110	ZINC000162880853	ref	3.33	-42.83	1	302.216	2.277	1	3	4	COCCn1ncc(Br)c1[C@@H]1CCCC[C@H]1[NH3+]
214176908	ZINC000278474397	ref	4.9	-11.69	0	314.389	1.733	1	5	6	COCCn1ccc(C(=O)NCc2ccc3c(n2)CCCC3)n1
365623836	ZINC000121925868	ref	5.96	-9.54	0	266.385	2.386	1	2	2	CO[C@@H]1CCCC[C@H]1NC(=O)N1C[C@H]2CCC[C@H]2C1
365623839	ZINC000121936179	ref	7.56	-9.03	0	254.399	2.325	1	2	5	C#CCN(C(=O)N[C@@H](C)CSC)C1CCCC1
178293536	ZINC000237032860	ref	7.4	-52.1	-1	357.292	1.618	0	7	6	CN(CCCC(=O)[O-])C(=O)c1cn(-c2ccc(C(F)(F)F)cn2)nn1
214176911	ZINC000278474613	ref	9.43	-47.21	1	324.877	3.178	1	2	4	O=C1[C@H]([NH2+]C[C@H]2CCSC2)CCCN1c1ccccc1Cl
365623843	ZINC000121954832	ref	7.18	-34.03	1	286.46	2.234	1	3	10	CCC[C@@H]1C[N@H+](CCCOC(C)C)CCN1CCOC
349533278	ZINC000618809328	ref	4.73	-10.22	0	285.384	1.776	2	4	6	CCOC(=O)C1CCC(NC(=O)CCC(C)(C)O)CC1
342598876	ZINC000590819658	mid	6.49	-29.03	0	287.367	1.758	1	3	1	Cn1cc(C#N)c(=NC(=O)N2CC(C3CCCCC3)C2)[nH]1
365623847	ZINC000121954832	mid	6.05	-35.03	1	286.46	2.234	1	3	10	CCC[C@@H]1C[N@@H+](CCCOC(C)C)CCN1CCOC
178293539	ZINC000237025740	ref	5.88	-54.96	1	372.469	1.812	2	4	6	CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1
214176913	ZINC000278474613	high	8.22	-10.26	0	324.877	3.178	1	3	4	O=C1[C@H](NC[C@H]2CCSC2)CCCN1c1ccccc1Cl
214176916	ZINC000278474591	ref	3.96	-22.17	0	319.423	1.523	0	3	2	Cc1cc(F)ccc1S(=O)(=O)N1CC[S@](=O)C[C@@H](C)C1
178293542	ZINC000237025740	high	5.55	-21.26	0	372.469	1.812	2	5	6	CC[C@@H](C)[C@@H](N)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1
178293545	ZINC000237029246	ref	9.24	-61.88	-1	370.808	1.803	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1c(F)cccc1Cl
178293549	ZINC000237034754	ref	4.54	-51.42	1	357.252	1.614	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)CC(=O)Nc1ccc(Br)cn1
178293552	ZINC000237034754	high	4.23	-15.66	0	357.252	1.614	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N(C)CC(=O)Nc1ccc(Br)cn1
178293554	ZINC000237027388	ref	4.48	-51.93	1	358.486	1.459	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1
282120501	ZINC000449149606	ref	6.21	-57.08	-1	264.325	2.091	1	4	5	CC(C)(C)CC[C@H](NC(=O)c1ccccn1)C(=O)[O-]
282120504	ZINC000449150179	ref	6.13	-37.31	1	278.396	2.096	2	2	9	CCC[NH2+][C@H](C)C(=O)N[C@@H](C)COCc1ccccc1
398246807	ZINC000651453781	ref	7.84	-8.05	0	285.391	3.088	1	2	4	O=C(NC1CC2(CCC2)C1)N(Cc1cccnc1)C1CC1
295666592	ZINC000412990302	ref	9.91	-9.43	0	318.461	2.528	0	2	5	CC(C)(C)[C@@H]1CC(=O)N(CCN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)C1
230234384	ZINC000336793608	mid	-0.16	-38.56	1	255.318	-1.079	3	3	3	NC(=O)[C@@]1(O)CC[N@@H+](CC(=O)N2CCCCC2)C1
295666593	ZINC000412990070	ref	6.31	-10.21	0	320.389	2.562	1	4	6	Cc1ccc([C@]2(C)NC(=O)N(CCOCC3CCCC3)C2=O)o1
230234388	ZINC000336793608	mid	-2.64	-13.05	0	255.318	-1.079	2	4	3	NC(=O)[C@@]1(O)CCN(CC(=O)N2CCCCC2)C1
230234395	ZINC000336814119	ref	-2.09	-21.17	0	269.301	-1.696	2	4	3	CCN1C[C@H](C(=O)N2CC[C@@](O)(C(N)=O)C2)CC1=O
230234405	ZINC000336789122	ref	-3.69	-17.01	0	277.346	-1.361	2	4	3	NC(=O)[C@]1(O)CCN(S(=O)(=O)N2CCCCC2)C1
230234414	ZINC000334411625	ref	0.61	-22.14	0	254.29	-1.251	2	3	3	CN1C[C@H](NC(=O)CN2CCCNC2=O)CC1=O
230234425	ZINC000336813447	ref	-5.01	-18.26	0	285.325	-1.12	3	5	3	NC(=O)[C@]1(O)CCN(S(=O)(=O)c2cccc(N)c2)C1
230234436	ZINC000336826559	ref	-1.08	-11.43	0	288.344	-1.005	2	5	9	COCC[C@H](CO)NC(=O)[C@@H]1CC(=O)N(CCOC)C1
230234447	ZINC000336826218	ref	-2.21	-14.34	0	287.316	-1.17	3	5	7	COCC[C@@H](CO)NC(=O)CN1C(=O)NC(C)(C)C1=O
365623825	ZINC000623052016	low	5.09	-39.47	1	303.41	1.772	3	2	4	CC1(C)CCC[N@@H+]1CCNC(=O)N=c1ccc(C2CC2)n[nH]1
365623828	ZINC000623052016	low	5.09	-39.58	1	303.41	1.772	3	2	4	CC1(C)CCC[N@H+]1CCNC(=O)N=c1ccc(C2CC2)n[nH]1
365623832	ZINC000623051690	ref	3.58	-11.72	0	315.366	1.779	0	4	2	C[C@@H]1COCC[C@H]1S(=O)(=O)N1CCOc2ccc(F)cc21
295666594	ZINC000354040040	ref	8.55	-9.52	0	344.48	2.703	1	3	4	O=C(NC[C@@H]1CCCS1)C(=O)N1CCC[C@H]1/C=C\c1ccccc1
342083587	ZINC000625337014	ref	5.27	-12.19	0	278.385	1.7	0	7	4	CC(C)c1nnc(CN2CC[C@H](n3cncn3)C2)s1
342083588	ZINC000625337014	low	7.71	-47.94	1	278.385	1.7	1	6	4	CC(C)c1nnc(C[N@@H+]2CC[C@H](n3cncn3)C2)s1
342083589	ZINC000625337014	low	7.73	-50.27	1	278.385	1.7	1	6	4	CC(C)c1nnc(C[N@H+]2CC[C@H](n3cncn3)C2)s1
342083590	ZINC000625337317	ref	3.29	-12.71	0	293.429	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@H](OC)C1CC1)OCC
342083591	ZINC000625337887	ref	3.97	-10.2	0	298.427	1.105	1	4	5	CCO[C@H](C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)C(C)C
365638838	ZINC000274367692	ref	5.42	-34.82	0	297.376	1.103	0	4	7	C[C@H](C[S@@](C)=O)N(C)C(=O)COc1ccc(C=O)cc1
342083592	ZINC000625337887	mid	6.18	-42.72	1	298.427	1.105	2	3	5	CCO[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C
214176929	ZINC000278475135	ref	4.73	-13.43	0	317.216	3.179	1	3	4	CC(C)[C@H]1OCC[C@H]1CNC(=O)c1ccc(Cl)nc1Cl
342083593	ZINC000625336999	ref	5.55	-9.98	0	276.369	1.454	0	7	4	c1ncn([C@@H]2CCN(Cc3nnc(C4CC4)s3)C2)n1
342083594	ZINC000625336999	low	8.04	-48.29	1	276.369	1.454	1	6	4	c1ncn([C@@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)n1
342083595	ZINC000625336999	low	7.88	-49.84	1	276.369	1.454	1	6	4	c1ncn([C@@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)n1
342083596	ZINC000625336998	ref	5.43	-9.94	0	276.369	1.454	0	7	4	c1ncn([C@H]2CCN(Cc3nnc(C4CC4)s3)C2)n1
342083597	ZINC000625336998	low	7.91	-48.37	1	276.369	1.454	1	6	4	c1ncn([C@H]2CC[N@@H+](Cc3nnc(C4CC4)s3)C2)n1
342083598	ZINC000625336998	low	7.92	-49.74	1	276.369	1.454	1	6	4	c1ncn([C@H]2CC[N@H+](Cc3nnc(C4CC4)s3)C2)n1
342083599	ZINC000625338048	ref	4.7	-9.73	0	297.367	1.718	0	3	4	COCC1(S(=O)(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)CC1
342083600	ZINC000008003249	ref	6.69	-49.4	1	289.379	1.962	3	2	6	CC(C)[C@@H]([NH2+]CC(=O)NC(=O)NC1CC1)c1ccccc1
342083601	ZINC000008003249	high	5.49	-18.66	0	289.379	1.962	3	3	6	CC(C)[C@@H](NCC(=O)NC(=O)NC1CC1)c1ccccc1
342083602	ZINC000625336971	ref	3.74	-8.16	0	263.341	1.355	2	3	5	CCO[C@H](C[N@@H+]1CCc2n[nH]c(=O)cc2C1)C1CC1
210256141	ZINC000265954026	ref	4.31	-14.45	0	361.442	0.926	1	6	4	COC(=O)C1CCN(C(=O)CN2CCN(c3cccc(O)c3)CC2)CC1
210256146	ZINC000265954026	low	6.82	-49.94	1	361.442	0.926	2	5	4	COC(=O)C1CCN(C(=O)C[NH+]2CCN(c3cccc(O)c3)CC2)CC1
214176934	ZINC000053310771	ref	5.25	-13.44	0	332.448	2.617	3	3	6	CC[C@@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(N2CCCC2)c(C)c1
178293553	ZINC000082787913	ref	5.76	-10.34	0	276.748	3.924	0	4	3	Clc1ccc(OCc2nccs2)c2ncccc12
214176937	ZINC000053301481	ref	7.05	-11.46	0	338.329	3.379	2	2	2	O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)c2ccccc2[nH]1
214176940	ZINC000053301481	high	6.7	-41.44	-1	338.329	3.379	1	2	2	O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cc(=O)c2ccccc2[n-]1
178293556	ZINC000082787818	ref	5.12	-16.32	0	258.14	2.47	0	2	3	N#CCC[S@@](=O)c1cccc(Br)c1
342083603	ZINC000625336971	mid	5.19	-51.86	1	263.341	1.355	2	3	5	CCO[C@H](C[N@H+]1CCc2n[nH]c(=O)cc2C1)C1CC1
290623118	ZINC000336487425	ref	5.0	-8.91	0	299.436	1.992	0	3	2	C[C@H]1CC[C@@]2(CCN(C(=O)C3(S(C)(=O)=O)CCC3)C2)C1
342083604	ZINC000625336971	high	3.74	-8.16	0	263.341	1.355	1	4	5	CCO[C@H](CN1CCc2n[nH]c(=O)cc2C1)C1CC1
342083605	ZINC000625337121	ref	4.33	-9.97	0	276.315	1.357	1	5	4	OCc1ccc(F)c(CN2CC[C@@H](n3cncn3)C2)c1
214176942	ZINC000053305848	ref	4.88	-12.37	0	344.502	2.295	1	4	5	CCS(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc(C)s2)CC1
214176945	ZINC000053312580	ref	8.51	-43.51	1	343.402	3.181	1	3	4	CC[N@@H+]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
185090330	ZINC000096075940	ref	4.06	-34.03	1	279.359	1.517	1	3	5	COCC[N@@H+]1CC[C@]12CCN(Cc1ccncc1F)C2
178293564	ZINC000082788559	ref	7.31	-6.59	0	250.139	3.923	0	1	0	Cc1ccc2c(C)cc(Br)nc2c1C
342083606	ZINC000625337121	mid	6.95	-45.91	1	276.315	1.357	2	4	4	OCc1ccc(F)c(C[N@@H+]2CC[C@@H](n3cncn3)C2)c1
342083607	ZINC000625337121	mid	6.57	-44.99	1	276.315	1.357	2	4	4	OCc1ccc(F)c(C[N@H+]2CC[C@@H](n3cncn3)C2)c1
178293572	ZINC000082788555	ref	7.34	-5.99	0	250.139	3.868	0	1	1	CCc1ccc2nc(Br)cc(C)c2c1
136228619	ZINC000191588383	ref	5.16	-58.84	-1	247.25	1.376	1	4	3	O=C(Nc1ccc2c(c1)COC2)[C@H]1C[C@H]1C(=O)[O-]
136228620	ZINC000283258980	ref	8.23	-8.78	0	243.35	2.882	1	1	4	CC#CC(=O)N[C@@H](CC)C(C)(C)c1ccccc1
178293573	ZINC000082787827	ref	4.82	-17.29	0	258.14	2.469	0	2	2	C[C@@H](C#N)[S@](=O)c1cccc(Br)c1
214176948	ZINC000053312580	mid	8.37	-41.73	1	343.402	3.181	1	3	4	CC[N@H+]1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
342598877	ZINC000616986139	ref	7.16	-9.45	0	276.38	1.992	1	2	7	CC[C@H](C)N(CC)C(=O)CNC(=O)Cc1ccccc1
361822928	ZINC000614362746	mid	5.03	-14.42	0	318.377	1.072	3	5	8	CC(C)(O)[C@H](Oc1ccccc1)C(=O)NCCCc1nc[nH]n1
361822937	ZINC000614362387	ref	1.73	-13.29	0	320.37	1.521	2	4	4	Cc1cc(S(N)(=O)=O)oc1C(=O)N[C@@H]1C[C@H]1c1ccccc1
361822945	ZINC000614363382	ref	8.39	-48.08	1	313.405	1.376	3	3	7	O=C(NCCCc1nnc[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1
342598878	ZINC000590819399	ref	5.04	-47.62	-1	275.356	1.661	1	3	3	CC[C@@H]1CCC[C@@H]1CNC(=O)N=c1[n-]n(C)cc1C#N
342598879	ZINC000590819399	mid	4.51	-26.59	0	275.356	1.661	2	3	3	CC[C@@H]1CCC[C@@H]1CNC(=O)N=c1[nH]n(C)cc1C#N
342598880	ZINC000590819085	ref	5.48	-43.18	1	260.403	1.142	1	2	6	CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]1C1CC1
342598881	ZINC000590819085	mid	5.16	-42.77	1	260.403	1.142	1	2	6	CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@H]1C1CC1
342598882	ZINC000197294195	ref	7.27	-9.95	0	262.309	1.497	0	4	3	C[C@H]1CCCN(C(=O)COC(=O)c2ccncc2)C1
342598883	ZINC000197294183	ref	7.27	-9.97	0	262.309	1.497	0	4	3	C[C@@H]1CCCN(C(=O)COC(=O)c2ccncc2)C1
214176935	ZINC000278475287	ref	5.92	-9.11	0	312.207	2.912	1	2	2	Cc1cccc(C(=O)N[C@H]2CCOC[C@@H]2C)c1Br
214176939	ZINC000278475788	ref	10.03	-49.15	1	320.487	2.566	1	5	3	c1nc(N2CC[NH+](C[C@H]3CCSC3)CC2)c2ccsc2n1
214176943	ZINC000278475788	high	7.97	-7.43	0	320.487	2.566	0	6	3	c1nc(N2CCN(C[C@H]3CCSC3)CC2)c2ccsc2n1
214176947	ZINC000278475322	ref	2.97	-12.36	0	310.394	1.908	3	4	6	COc1cc(C)c(NC(=O)N(C[C@H](C)O)[C@H](C)CO)cc1C
178305182	ZINC000035756760	low	9.37	-46.6	0	232.283	2.374	0	3	3	Cc1cc2[nH+]cn(C[C@H](C)C(=O)[O-])c2cc1C
214176950	ZINC000278475196	ref	5.03	-11.2	0	306.332	2.549	2	3	7	CC[C@H](C)[C@@H](NC(=O)NCCCn1cccn1)C(F)(F)F
293079783	ZINC000360376490	ref	6.34	-8.95	0	259.415	2.259	0	3	6	COC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]1CSC
361822954	ZINC000614363382	mid	8.42	-47.47	1	313.405	1.376	3	3	7	O=C(NCCCc1nnc[nH]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1
361822960	ZINC000614363382	mid	8.0	-45.48	1	313.405	1.376	3	3	7	O=C(NCCCc1nc[nH]n1)[C@H]1CC[N@H+](Cc2ccccc2)C1
361822966	ZINC000614363382	mid	8.04	-44.87	1	313.405	1.376	3	3	7	O=C(NCCCc1nc[nH]n1)[C@H]1CC[N@@H+](Cc2ccccc2)C1
361822978	ZINC000614363304	ref	4.36	-19.98	0	324.384	1.326	1	4	7	O=C1C[C@@H](CC(=O)N(CCc2ccccn2)Cc2cccnc2)N1
178293560	ZINC000237022553	ref	5.04	-55.12	1	355.442	1.78	2	4	5	CCn1cc(NC(=O)C2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)cn1
214176951	ZINC000053312580	high	6.45	-9.97	0	343.402	3.181	0	4	4	CCN1CCCN(C(=O)c2ccc(Oc3ccc(F)cc3)nc2)CC1
214176954	ZINC000053304520	ref	6.5	-44.2	1	344.459	3.018	2	4	4	Cc1noc2ncc(C(=O)NCC(C)(C)[NH+]3C[C@H](C)C[C@@H](C)C3)cc12
214176959	ZINC000053303185	ref	3.86	-47.62	1	326.485	1.698	4	2	8	C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCCNC(N)=O)C1
178293562	ZINC000237022553	mid	4.72	-18.57	0	355.442	1.78	2	5	5	CCn1cc(NC(=O)C2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)cn1
178293565	ZINC000237039446	ref	6.14	-88.74	2	354.539	1.302	3	2	8	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1
178293566	ZINC000237039446	high	5.85	-45.92	1	354.539	1.302	3	3	8	CC[C@H](C)[C@@H](N)C(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1
178293570	ZINC000237035141	ref	7.71	-47.15	-1	371.231	1.891	1	4	7	CC[C@@H](C)N(CC(=O)[O-])C(=O)CNC(=O)c1cccc(Br)c1
178293574	ZINC000237033267	ref	4.88	-45.45	1	364.534	1.583	1	3	4	CN(C(=O)CN1CCN(C(=O)C2([NH3+])CCCCC2)CC1)C1CCCCC1
178293578	ZINC000237033267	high	5.31	-13.32	0	364.534	1.583	1	4	4	CN(C(=O)CN1CCN(C(=O)C2(N)CCCCC2)CC1)C1CCCCC1
365623834	ZINC000623051140	ref	4.28	-11.89	0	317.433	1.732	1	4	7	CCN1C[C@H](CN(C)CC(=O)NCC2CC2)Oc2ccccc21
365623837	ZINC000623051140	low	6.64	-43.49	1	317.433	1.732	2	3	7	CCN1C[C@H](C[N@H+](C)CC(=O)NCC2CC2)Oc2ccccc21
178293582	ZINC000237029291	ref	9.49	-64.3	-1	371.437	1.8	1	4	5	Cc1cccc2c(CC(=O)N(C)CC(=O)N3CCC[C@H](C(=O)[O-])C3)c[nH]c12
178293583	ZINC000237034633	ref	4.53	-53.84	1	350.507	1.049	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1)C1CCCCC1
342083608	ZINC000625336954	ref	3.05	-11.11	0	298.412	1.31	1	5	6	Cn1nncc1S(=O)(=O)NCC(C1CCC1)C1CCC1
185090331	ZINC000096075940	mid	4.07	-35.85	1	279.359	1.517	1	3	5	COCC[N@H+]1CC[C@]12CCN(Cc1ccncc1F)C2
168365340	ZINC000368509399	ref	6.15	-10.25	0	330.787	3.137	1	3	4	CC(C)OC[C@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)CCO1
365623840	ZINC000623051140	low	6.63	-41.61	1	317.433	1.732	2	3	7	CCN1C[C@H](C[N@@H+](C)CC(=O)NCC2CC2)Oc2ccccc21
365623844	ZINC000623053388	ref	5.9	-45.45	1	324.356	1.919	1	4	2	O=C(c1nnc(-c2c(F)cccc2F)s1)N1CCC[NH2+]CC1
342083609	ZINC000625337141	ref	2.51	-14.1	0	262.4	1.999	1	4	5	CC(C)(C)CCS(=O)(=O)NCc1ccns1
185090332	ZINC000096075940	high	1.07	-4.55	0	279.359	1.517	0	4	5	COCCN1CC[C@]12CCN(Cc1ccncc1F)C2
349533257	ZINC000621479626	ref	8.18	-11.23	0	284.363	3.32	1	3	2	CCn1ncc(C)c1NC(=O)N1Cc2ccccc2[C@@H]1C
214176953	ZINC000278474372	ref	6.58	-6.47	0	320.234	3.376	0	3	3	C[C@@H]1CN(Cc2c(Br)cnn2C)[C@H]1c1ccccc1
365623842	ZINC000354682078	ref	6.95	-13.22	0	258.325	1.942	1	4	4	CC(C)[C@H](NC(=O)c1ncn(C)n1)c1ccccc1
365623846	ZINC000354682356	ref	6.46	-9.32	0	278.396	1.546	0	3	4	C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CCN(CC2CC2)CC1
365623848	ZINC000354682356	mid	8.67	-48.63	1	278.396	1.546	1	2	4	C[C@@H]1C(=O)CC[C@@H]1CC(=O)N1CC[NH+](CC2CC2)CC1
365623852	ZINC000354683969	ref	6.36	-41.61	1	276.327	1.211	1	2	5	CC1CC[NH+](CC(=O)N2CC(OCC(F)F)C2)CC1
342083610	ZINC000625337319	ref	2.92	-9.42	0	293.429	1.536	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@@H](OC)C1CC1)OCC
365623855	ZINC000354683969	mid	4.19	-12.44	0	276.327	1.211	0	3	5	CC1CCN(CC(=O)N2CC(OCC(F)F)C2)CC1
365623858	ZINC000354681850	ref	5.34	-8.52	0	292.383	1.184	2	5	5	CNc1nc(C)cc(C(=O)NCC2CCC(OC)CC2)n1
342083611	ZINC000625338171	ref	4.59	-17.44	0	291.273	1.458	0	4	3	Cc1cn(CC(=O)N(C)[C@@H]2CCOC2)nc1C(F)(F)F
282120503	ZINC000424320264	ref	8.04	-44.08	1	299.455	3.149	1	3	7	CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCOC1)C(=O)OC(C)(C)C
365623860	ZINC000354682165	ref	6.15	-14.04	0	278.352	1.624	0	4	5	CC[C@@H]1CO[C@H](C)CN1C(=O)COCc1cccnc1
365623863	ZINC000354683284	ref	7.15	-18.29	0	273.34	1.362	1	5	5	CCc1ccc(C(=O)N[C@H](C)Cn2cncn2)c(C)n1
365623865	ZINC000354682316	ref	5.92	-44.48	1	255.314	1.971	1	4	8	CCOC(=O)c1coc(C[NH2+]CCOC(C)C)c1
365623867	ZINC000354682316	mid	4.5	-8.46	0	255.314	1.971	1	5	8	CCOC(=O)c1coc(CNCCOC(C)C)c1
365623870	ZINC000354684859	ref	6.79	-45.93	1	276.384	1.861	2	3	6	C[N@H+](CCCNC(=O)c1cncnc1)C1CCCCC1
365623872	ZINC000354684859	mid	6.79	-45.93	1	276.384	1.861	2	3	6	C[N@@H+](CCCNC(=O)c1cncnc1)C1CCCCC1
365623875	ZINC000354684269	ref	5.14	-15.21	0	279.263	1.253	2	6	2	O=C(Nc1nc2cccnc2[nH]1)c1cnn2ccncc12
342083612	ZINC000625337350	ref	4.76	-33.86	1	267.373	1.989	1	4	7	CCN(Cc1cc(OC)no1)C[C@H]1CCC[N@@H+]1CC
342083613	ZINC000625337350	mid	3.56	-38.43	1	267.373	1.989	1	4	7	CCN(Cc1cc(OC)no1)C[C@H]1CCC[N@H+]1CC
342083614	ZINC000625337350	high	2.79	-5.25	0	267.373	1.989	0	5	7	CCN(Cc1cc(OC)no1)C[C@H]1CCCN1CC
168365648	ZINC000042913296	ref	2.64	-44.21	1	196.269	1.776	1	1	3	C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)N(C)C
214176955	ZINC000337603995	mid	8.1	-54.43	1	290.407	2.147	1	2	5	CCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](c2ccc(CC)cc2)C1
214176958	ZINC000337603523	ref	7.89	-7.64	0	263.406	3.107	1	2	4	CSCCC(=O)N[C@@]1(C)CCCc2ccccc21
282120506	ZINC000334712650	ref	5.71	-41.83	1	269.389	1.147	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOC2(C)C)C1
282120522	ZINC000334891078	ref	8.8	-44.66	1	250.386	1.977	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC23CCCC3)C1
214176966	ZINC000337603057	ref	4.63	-37.53	1	273.446	0.882	2	3	7	CC[NH+]1CCN(CCC(=O)NC[C@H](C)SC)CC1
214176967	ZINC000337603057	mid	4.48	-38.06	1	273.446	0.882	2	3	7	CCN1CC[NH+](CCC(=O)NC[C@H](C)SC)CC1
214176968	ZINC000337603057	high	2.24	-7.1	0	273.446	0.882	1	4	7	CCN1CCN(CCC(=O)NC[C@H](C)SC)CC1
214176969	ZINC000337605100	ref	8.3	-11.38	0	260.362	3.277	1	3	5	CCc1cccnc1NC(=O)CCc1cccs1
282120544	ZINC000172128789	ref	8.99	-45.54	1	322.478	2.827	2	3	3	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCCC3)C1
282120562	ZINC000431818579	ref	9.92	-81.54	2	307.482	2.194	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1
295666595	ZINC000412990229	ref	8.43	-11.14	0	308.407	2.882	0	7	6	CC(C)n1c(S[C@@H](C)C(=O)c2ccco2)nnc1N(C)C
295666597	ZINC000412989326	ref	7.99	-12.23	0	314.418	2.844	1	6	6	CC(C)c1ccc(-n2nnnc2SCCc2cn[nH]c2)cc1
342083615	ZINC000625336979	ref	3.08	-15.11	0	272.251	1.568	1	3	3	CC[C@H]1C(=O)NCCN1C(=O)c1coc(C(F)F)c1
365623845	ZINC000623053388	high	4.62	-11.24	0	324.356	1.919	1	5	2	O=C(c1nnc(-c2c(F)cccc2F)s1)N1CCCNCC1
365623849	ZINC000623051522	ref	3.78	-7.28	0	307.438	1.508	1	5	5	CN(C[C@H](O)CN1CCOCC1)c1cc(C(C)(C)C)ccn1
342083616	ZINC000625337914	ref	0.94	-36.58	1	293.407	1.407	4	3	8	C[C@H](c1ccccc1)[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1
185090333	ZINC000096076113	ref	3.03	-10.33	0	284.367	1.065	0	6	3	Cn1cc(CN2CC[C@@]23CCN(c2cnccn2)C3)cn1
214176983	ZINC000337605341	ref	2.04	-44.21	1	269.345	0.434	4	3	7	C[NH+](C)C[C@@](C)(O)CNC(=O)NCCc1ccco1
282120591	ZINC000431818579	mid	10.03	-81.77	2	307.482	2.194	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1
282120595	ZINC000431818579	high	8.08	-44.1	1	307.482	2.194	1	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCCN2C2CCCC2)C1
282120605	ZINC000353898273	ref	9.02	-43.26	1	336.505	3.172	2	3	3	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3(C)C)C1
342083617	ZINC000625337719	ref	3.75	-11.91	0	263.403	1.911	1	3	10	CCC[C@H](CNS(=O)(=O)CCC1CC1)OCC
214176956	ZINC000278474372	low	9.18	-36.78	1	320.234	3.376	1	2	3	C[C@@H]1C[N@H+](Cc2c(Br)cnn2C)[C@H]1c1ccccc1
342083618	ZINC000625337406	ref	7.07	-32.64	1	283.46	1.955	2	2	7	CCN(CC(=O)NCC(C)(C)C)C[C@H]1CCC[N@@H+]1CC
214176957	ZINC000278474372	low	8.33	-36.79	1	320.234	3.376	1	2	3	C[C@@H]1C[N@@H+](Cc2c(Br)cnn2C)[C@H]1c1ccccc1
136228621	ZINC000283241085	ref	5.55	-5.59	0	246.31	1.508	1	2	4	C=CCN(C)C(=O)C(=O)N[C@H](C)c1ccccc1
342083619	ZINC000625337406	mid	5.93	-38.54	1	283.46	1.955	2	2	7	CCN(CC(=O)NCC(C)(C)C)C[C@H]1CCC[N@H+]1CC
342083620	ZINC000625337406	high	5.08	-6.24	0	283.46	1.955	1	3	7	CCN(CC(=O)NCC(C)(C)C)C[C@H]1CCCN1CC
185090334	ZINC000096076113	mid	6.13	-43.66	1	284.367	1.065	1	5	3	Cn1cc(C[N@@H+]2CC[C@@]23CCN(c2cnccn2)C3)cn1
185090335	ZINC000096076113	mid	6.15	-44.68	1	284.367	1.065	1	5	3	Cn1cc(C[N@H+]2CC[C@@]23CCN(c2cnccn2)C3)cn1
365623850	ZINC000121954832	mid	6.42	-31.23	1	286.46	2.234	1	3	10	CCC[C@@H]1CN(CCCOC(C)C)CC[N@@H+]1CCOC
342083621	ZINC000625337337	ref	3.03	-35.59	1	256.39	1.133	2	3	7	CCN1CCC[C@@H]1C[N@H+](CC)C[C@@](C)(O)C(C)=O
178293594	ZINC000082788014	ref	6.37	-13.68	0	296.12	2.549	0	4	3	COC(=O)COc1ccc(Br)c2cccnc12
365623851	ZINC000121954832	mid	6.29	-30.62	1	286.46	2.234	1	3	10	CCC[C@@H]1CN(CCCOC(C)C)CC[N@H+]1CCOC
365623854	ZINC000121954832	high	4.14	-3.35	0	286.46	2.234	0	4	10	CCC[C@@H]1CN(CCCOC(C)C)CCN1CCOC
342083622	ZINC000625337337	mid	3.57	-34.88	1	256.39	1.133	2	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@@](C)(O)C(C)=O
342083623	ZINC000625337337	mid	5.27	-31.82	1	256.39	1.133	2	3	7	CCN(C[C@H]1CCC[N@@H+]1CC)C[C@@](C)(O)C(C)=O
342083624	ZINC000625337337	mid	4.21	-35.38	1	256.39	1.133	2	3	7	CCN(C[C@H]1CCC[N@H+]1CC)C[C@@](C)(O)C(C)=O
214176960	ZINC000278474059	ref	6.3	-9.09	0	319.206	2.905	1	4	4	C[C@@H](NCc1c(Br)cnn1C)c1ccc(C#N)cc1
214176961	ZINC000278474059	mid	7.42	-55.68	1	319.206	2.905	1	3	4	C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(C#N)cc1
342083625	ZINC000625337337	high	3.08	-3.9	0	256.39	1.133	1	4	7	CCN(C[C@H]1CCCN1CC)C[C@@](C)(O)C(C)=O
214176962	ZINC000278474697	ref	4.97	-5.45	0	314.227	2.001	0	4	4	COCCN1CCN(c2ncccc2Br)C[C@@H]1C
349533261	ZINC000621483600	ref	8.26	-8.23	0	252.402	3.109	1	1	5	CC(C)C(NC(=O)N1CC(CC2CC2)C1)C(C)C
214176963	ZINC000278474697	low	7.3	-30.72	1	314.227	2.001	1	3	4	COCC[N@@H+]1CCN(c2ncccc2Br)C[C@@H]1C
136228622	ZINC000283273730	ref	2.36	-17.65	0	223.276	-0.07	2	2	2	CC#CC(=O)N[C@H]1CCN(C(=O)NCC)C1
214176964	ZINC000278474697	low	7.16	-30.25	1	314.227	2.001	1	3	4	COCC[N@H+]1CCN(c2ncccc2Br)C[C@@H]1C
342598884	ZINC000616986294	ref	7.04	-11.38	0	292.379	1.829	1	3	8	CC[C@H](C)N(CC)C(=O)CNC(=O)COc1ccccc1
342598885	ZINC000616986028	ref	7.74	-15.81	0	288.347	1.93	0	3	5	CC[C@@H](C)N(CC)C(=O)CN1C(=O)c2ccccc2C1=O
342598886	ZINC000590819439	ref	4.87	-47.6	-1	275.356	1.661	1	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC2(C)C)[n-]1
214176965	ZINC000278475769	ref	5.94	-15.33	0	324.388	2.177	2	7	5	Oc1cccc(CNc2cnn(Cc3nnc4n3CCCC4)c2)c1
136228623	ZINC000191588333	ref	4.86	-42.95	-1	247.25	1.52	1	4	3	O=C([O-])C1(C(=O)Nc2ccc3c(c2)COC3)CC1
214176971	ZINC000278475409	ref	6.36	-16.97	0	310.361	2.374	0	7	3	c1ccn2c([C@@H]3CCCN(c4nnc(C5CC5)o4)C3)nnc2c1
214176975	ZINC000278474588	ref	3.79	-22.36	0	319.423	1.523	0	3	2	Cc1cc(F)ccc1S(=O)(=O)N1CC[S@@](=O)C[C@H](C)C1
214176977	ZINC000278474943	ref	8.23	-38.45	1	303.381	3.42	1	3	5	CC(C)[C@@H]1CCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1
214176979	ZINC000278474943	mid	9.2	-39.67	1	303.381	3.42	1	3	5	CC(C)[C@@H]1CCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1
214176980	ZINC000278474943	mid	6.41	-5.48	0	303.381	3.42	0	4	5	CC(C)[C@@H]1CCCN1Cc1nc(Cc2cccc(F)c2)no1
214176982	ZINC000278474274	ref	5.75	-8.7	0	312.373	2.274	2	3	2	C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2-c2cn[nH]c2)C1
214176984	ZINC000278475345	ref	6.99	-11.4	0	320.359	3.1	1	3	5	CCN(C(=O)N[C@H](c1cnn(C)c1)C(F)(F)F)[C@@H](C)C(C)C
342598887	ZINC000590819439	mid	4.34	-26.74	0	275.356	1.661	2	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCCC2(C)C)[nH]1
214176987	ZINC000278475778	ref	7.35	-43.28	1	307.459	2.564	2	3	5	O[C@H](C[C@@H]1COCC[N@@H+]1C[C@H]1CCSC1)c1ccccc1
214176988	ZINC000278475778	mid	7.49	-44.34	1	307.459	2.564	2	3	5	O[C@H](C[C@@H]1COCC[N@H+]1C[C@H]1CCSC1)c1ccccc1
214176990	ZINC000278475778	mid	5.4	-5.99	0	307.459	2.564	1	4	5	O[C@H](C[C@@H]1COCCN1C[C@H]1CCSC1)c1ccccc1
282120508	ZINC000263862394	ref	4.37	-14.32	0	335.314	0.934	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(F)c1F)CC2
398246808	ZINC000651454579	ref	7.98	-7.2	0	250.386	3.293	1	1	1	C[C@@H]1CCCCCN1C(=O)NC1CC2(CCC2)C1
197598137	ZINC000290108636	ref	5.54	-7.24	0	291.42	2.966	1	5	7	CCc1nnc(CN[C@@H](C)[C@@H](OC)c2ccccc2)s1
214176970	ZINC000053303185	mid	3.77	-46.6	1	326.485	1.698	4	2	8	C[C@H]1C[C@@H](C)C[N@H+](C(C)(C)CNC(=O)CCCCNC(N)=O)C1
349533262	ZINC000621225596	ref	6.78	-38.03	1	280.334	2.423	2	1	5	C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)CC(F)(F)F)C1
432002775	ZINC000062194594	ref	8.75	-11.32	0	311.381	3.379	0	3	4	COc1ccccc1C(=O)N1CCC[C@@H](Oc2ccccc2)C1
190492302	ZINC000269408131	ref	9.13	-15.53	0	284.363	2.29	1	3	4	O=C(c1nc[nH]n1)N1CCC(CCc2ccccc2)CC1
178293589	ZINC000237032260	ref	8.45	-48.53	1	367.902	1.999	1	3	4	CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1CCN(c2ccccc2Cl)C1=O
178293597	ZINC000237032260	high	7.41	-17.96	0	367.902	1.999	1	4	4	CN(C(=O)C[C@H]1CSCCN1)[C@H]1CCN(c2ccccc2Cl)C1=O
178293600	ZINC000237032559	ref	6.09	-47.68	-1	368.48	1.956	1	6	8	CN(C)C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
178293601	ZINC000237032559	mid	7.39	-69.52	0	368.48	1.956	2	5	8	C[NH+](C)C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
178293604	ZINC000237027441	ref	3.1	-56.9	1	367.515	1.225	2	3	8	CCS(=O)(=O)N1CCC(C(=O)NCCCC[NH3+])(c2ccccc2)CC1
230234499	ZINC000334229344	ref	-0.09	-18.4	0	254.29	-1.253	2	3	2	CN1C[C@@H](NC(=O)N(C)[C@@H]2CCNC2=O)CC1=O
178293607	ZINC000237024559	ref	9.69	-60.59	-1	362.401	1.639	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(c2ccc(F)cc2)CC1
178305188	ZINC000037491146	ref	7.06	-8.46	0	244.338	3.129	1	3	1	Cc1cc2ncn([C@H]3CCCC[C@H]3O)c2cc1C
230234507	ZINC000336817523	ref	1.36	-47.97	1	294.373	-1.124	2	5	5	COC(=O)[C@@](C)(O)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1
230234519	ZINC000336817523	mid	1.16	-51.48	1	294.373	-1.124	2	5	5	COC(=O)[C@@](C)(O)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1
230234523	ZINC000336817523	mid	-0.81	-12.98	0	294.373	-1.124	1	6	5	COC(=O)[C@@](C)(O)CN(C)[C@@H]1CCN(S(C)(=O)=O)C1
230234532	ZINC000336811356	ref	-5.09	-15.25	0	293.345	-2.124	2	5	3	NC(=O)[C@@]1(O)CCCN(S(=O)(=O)N2CCOCC2)C1
230234544	ZINC000334010556	ref	-2.34	-18.03	0	259.306	-1.086	3	4	6	COC[C@@H](O)CCNC(=O)N[C@H]1CC(=O)N(C)C1
230234554	ZINC000336649450	ref	0.41	-49.55	-1	250.276	-1.389	1	5	3	CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)[O-]
230234579	ZINC000334048920	ref	0.64	-50.0	1	284.36	-1.027	4	3	5	CNC(=O)N[C@H]1CC[N@H+](C[C@H](O)CN2CCCC2=O)C1
230234586	ZINC000334048920	mid	0.43	-51.39	1	284.36	-1.027	4	3	5	CNC(=O)N[C@H]1CC[N@@H+](C[C@H](O)CN2CCCC2=O)C1
230234591	ZINC000334048920	mid	-2.07	-17.07	0	284.36	-1.027	3	4	5	CNC(=O)N[C@H]1CCN(C[C@H](O)CN2CCCC2=O)C1
230234600	ZINC000336786225	ref	-4.69	-23.01	0	278.33	-1.583	2	5	4	NC(=O)[C@]1(O)CCN(S(=O)(=O)C[C@@H]2CCCO2)C1
365623853	ZINC000623051522	mid	4.12	-31.87	1	307.438	1.508	1	4	5	CN(C[C@H](O)CN1CCOCC1)c1cc(C(C)(C)C)cc[nH+]1
197598138	ZINC000290108636	mid	6.39	-37.71	1	291.42	2.966	1	4	7	CCc1nnc(C[NH2+][C@@H](C)[C@@H](OC)c2ccccc2)s1
342083626	ZINC000625337333	ref	3.88	-34.4	1	256.39	1.133	2	3	7	CCN1CCC[C@H]1C[N@H+](CC)C[C@@](C)(O)C(C)=O
365623856	ZINC000623051522	low	6.46	-92.78	2	307.438	1.508	2	3	5	CN(C[C@H](O)C[NH+]1CCOCC1)c1cc(C(C)(C)C)cc[nH+]1
197598143	ZINC000290108548	ref	7.34	-13.63	0	270.336	2.619	2	3	4	Cn1ccc(CNC(=O)Nc2cc(C3CC3)ccn2)c1
365623859	ZINC000623052018	ref	2.72	-12.61	0	300.318	1.613	2	5	3	COc1cc(NC(=O)N2C[C@H](CO)c3ccccc32)ncn1
365623862	ZINC000623053683	ref	3.27	-55.73	1	310.329	1.656	1	4	2	[NH3+][C@@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1
365623866	ZINC000623051845	ref	3.52	-41.08	1	313.199	1.742	2	4	5	CC(C)(O)CC[NH2+]Cc1cnn2cc(Br)cnc12
365623868	ZINC000623051845	high	2.2	-7.54	0	313.199	1.742	2	5	5	CC(C)(O)CCNCc1cnn2cc(Br)cnc12
365623871	ZINC000623051513	ref	6.74	-22.66	0	322.372	1.15	2	6	3	CC1(C)CNC(=O)[C@H]1Nc1ccc2nnc(-c3ccccc3)n2n1
365638840	ZINC000274369408	ref	4.32	-49.52	1	281.385	1.035	3	4	4	C[NH+](C)[C@]1(CNC(=O)Nc2cncnc2)CCSC1
185090336	ZINC000096075932	ref	6.05	-33.19	1	278.371	2.122	1	2	5	COCC[N@@H+]1CC[C@]12CCN(Cc1cccc(F)c1)C2
185090337	ZINC000096075932	mid	6.06	-34.78	1	278.371	2.122	1	2	5	COCC[N@H+]1CC[C@]12CCN(Cc1cccc(F)c1)C2
185090338	ZINC000096075932	mid	5.46	-41.05	1	278.371	2.122	1	2	5	COCCN1CC[C@]12CC[N@H+](Cc1cccc(F)c1)C2
365638843	ZINC000274369408	high	2.14	-9.83	0	281.385	1.035	2	5	4	CN(C)[C@]1(CNC(=O)Nc2cncnc2)CCSC1
214176973	ZINC000053304475	ref	8.45	-43.53	1	335.517	3.046	2	3	6	C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CSc2ccncc2)C1
178293590	ZINC000061684182	ref	8.55	-12.37	0	244.294	2.929	0	4	1	Cc1cc2c(n1-c1ccon1)CC(C)(C)CC2=O
342083627	ZINC000625337333	mid	3.52	-31.9	1	256.39	1.133	2	3	7	CCN1CCC[C@H]1C[N@@H+](CC)C[C@@](C)(O)C(C)=O
342083628	ZINC000625337333	mid	4.43	-35.44	1	256.39	1.133	2	3	7	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@@](C)(O)C(C)=O
342083629	ZINC000625337333	mid	4.45	-32.21	1	256.39	1.133	2	3	7	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@@](C)(O)C(C)=O
342083630	ZINC000625337333	high	2.09	-4.07	0	256.39	1.133	1	4	7	CCN(C[C@@H]1CCCN1CC)C[C@@](C)(O)C(C)=O
342083631	ZINC000625337087	ref	4.79	-50.78	1	294.37	1.664	2	2	4	CC(=O)N1CC[C@H]([NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1
398246810	ZINC000651454628	ref	9.8	-8.31	0	284.403	3.13	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2ccccc2CC1
365623857	ZINC000121983526	ref	6.62	-13.07	0	292.354	2.042	0	3	2	C[C@H]1CC[C@H](C(=O)N2CCN(c3ccc(F)cc3)CC2)O1
365623861	ZINC000121880201	ref	3.13	-44.94	1	267.398	2.102	1	3	2	Cc1nc(C)c(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])s1
365623864	ZINC000121852416	ref	6.13	-15.84	0	265.284	2.119	0	3	1	C[C@@H]1CC[C@H](C(=O)N2CCOc3ccc(F)cc32)O1
398246812	ZINC000651453968	ref	9.12	-7.17	0	252.402	3.397	1	1	5	CCCN(CC(C)C)C(=O)NC1CC2(CCC2)C1
398246814	ZINC000651453851	ref	9.6	-8.33	0	284.403	3.128	1	1	2	CN(C(=O)NC1CC2(CCC2)C1)C1Cc2ccccc2C1
365623869	ZINC000121915389	ref	8.16	-6.79	0	288.391	2.411	1	3	2	Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)n1C
178293599	ZINC000104052017	ref	5.79	-40.1	1	249.354	2.98	1	2	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2[NH2+][C@H]1CCOC1
178293603	ZINC000104052017	high	4.81	-4.23	0	249.354	2.98	1	3	2	Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCOC1
178293606	ZINC000061148225	ref	4.94	-40.67	1	234.343	2.169	1	2	2	Cc1cc2c(n1C[C@@H]1CCOC1)CCC[C@@H]2[NH3+]
365623873	ZINC000121852796	ref	6.69	-35.78	1	299.459	2.218	3	2	6	COC(C)(C)C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C
365623874	ZINC000121852796	mid	6.57	-34.77	1	299.459	2.218	3	2	6	COC(C)(C)C[C@H](C)NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C
365623876	ZINC000121990729	ref	5.01	-6.84	0	270.38	2.051	0	4	3	Cc1cccc(N2CCN(Cc3ccnn3C)CC2)c1
187169759	ZINC000125096002	low	8.38	-37.22	1	280.763	1.895	1	5	6	CNc1c(Cl)ncnc1N(C)CCCn1cc[nH+]c1
178293609	ZINC000052299220	ref	9.03	-10.57	0	231.339	3.533	0	2	1	Cc1cc2c(n1[C@@H]1C[C@@H]1C)CC(C)(C)CC2=O
365623878	ZINC000121990729	mid	7.26	-44.87	1	270.38	2.051	1	3	3	Cc1cccc(N2CC[NH+](Cc3ccnn3C)CC2)c1
365623879	ZINC000121845720	ref	3.72	-9.86	0	292.136	2.169	1	3	3	O=C(NCc1ccncc1)c1ccncc1Br
178293610	ZINC000049453873	ref	6.98	-52.14	-1	212.295	2.729	0	4	1	Cc1cc2c(s1)C=C(C(=O)[O-])SC2
178293616	ZINC000006070491	ref	7.83	-14.0	0	214.22	3.156	0	3	0	Cc1cc2c(o1)c(C)cc1ccc(=O)oc12
178305189	ZINC000037491146	low	7.54	-25.25	1	244.338	3.129	1	2	1	Cc1cc2[nH+]cn([C@H]3CCCC[C@H]3O)c2cc1C
178305193	ZINC000020474396	ref	10.2	-47.76	-1	246.31	2.908	0	4	5	Cc1cc2ncn(CCCCC(=O)[O-])c2cc1C
178305197	ZINC000020474396	low	10.68	-58.42	0	246.31	2.908	0	3	5	Cc1cc2[nH+]cn(CCCCC(=O)[O-])c2cc1C
178305201	ZINC000038538073	ref	6.1	-6.65	0	212.05	1.8	0	3	0	Cc1cc2ncnn2cc1Br
214176985	ZINC000337605341	high	0.06	-10.49	0	269.345	0.434	3	4	7	CN(C)C[C@@](C)(O)CNC(=O)NCCc1ccco1
349533263	ZINC000621482862	ref	6.17	-7.47	0	294.439	3.214	2	2	3	CC1CC(CNC(=O)N[C@@H]2CCOC3(CCCCC3)C2)C1
365623877	ZINC000354682618	ref	4.53	-7.04	0	294.326	1.078	1	3	3	C[C@@H]1OCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1
365623880	ZINC000354681535	ref	4.15	-18.1	0	295.404	1.826	1	3	5	COc1ccccc1[C@H](C)CC(=O)N[C@H]1CC[S@@](=O)C1
190597619	ZINC000270095965	ref	4.04	-17.46	0	281.352	1.553	1	4	7	CC(C)OC[C@@H](O)COc1ccccc1C(=O)N(C)C
185090339	ZINC000096075932	mid	5.49	-40.68	1	278.371	2.122	1	2	5	COCCN1CC[C@]12CC[N@@H+](Cc1cccc(F)c1)C2
185090340	ZINC000096075932	high	3.05	-3.59	0	278.371	2.122	0	3	5	COCCN1CC[C@]12CCN(Cc1cccc(F)c1)C2
185090341	ZINC000096076011	ref	0.4	-16.07	0	291.355	-0.543	1	5	3	CNC(=O)CN1CC[C@@]12CCN(C(=O)c1ccn(C)n1)C2
185090342	ZINC000096076011	low	3.44	-42.7	1	291.355	-0.543	2	4	3	CNC(=O)C[N@@H+]1CC[C@@]12CCN(C(=O)c1ccn(C)n1)C2
282120513	ZINC000449150069	ref	5.35	-42.63	1	282.428	2.225	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@H]2C)C1
214176986	ZINC000337602581	ref	6.97	-11.26	0	289.322	3.041	1	2	4	CSCC(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F
342598888	ZINC000590819901	ref	4.77	-49.92	-1	297.309	1.661	1	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCCC2(F)F)[n-]1
178293608	ZINC000082788591	ref	3.46	-6.55	0	272.529	3.665	1	2	0	Cc1cc(Br)nc2c(O)ccc(Cl)c12
214176989	ZINC000337603956	ref	5.96	-13.23	0	265.263	3.02	1	3	4	C[C@H](C(=O)Nc1cccc(C(F)F)c1)n1cccn1
349533268	ZINC000621480269	ref	7.71	-7.99	0	283.803	3.207	0	3	3	CCn1ncc(Cl)c1C(=O)N(C)[C@H]1CCCC[C@H]1C
349533274	ZINC000621480489	ref	8.04	-9.0	0	250.386	3.007	1	1	4	CC[C@@H]1CCC[C@H]1NC(=O)N1CC(CC2CC2)C1
214176992	ZINC000337604750	ref	7.12	-35.62	1	268.323	2.421	2	1	7	CC[NH+](CC)CC(=O)N[C@H](CC(F)(F)F)C(C)C
214176994	ZINC000337604750	high	4.85	-8.33	0	268.323	2.421	1	2	7	CCN(CC)CC(=O)N[C@H](CC(F)(F)F)C(C)C
342598889	ZINC000590819901	mid	4.07	-30.79	0	297.309	1.661	2	3	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCCCC2(F)F)[nH]1
230744983	ZINC000414373901	ref	5.72	-9.44	0	308.403	3.032	1	4	5	CCC[C@@]1(C)NC(=O)N(c2ccc(OC)c(SC)c2)C1=O
133427947	ZINC000306450113	ref	1.58	-10.72	0	191.252	0.53	0	3	3	C=C(C)CS(=O)(=O)N1CCCO1
178293611	ZINC000082788591	high	4.22	-43.23	-1	272.529	3.665	0	2	0	Cc1cc(Br)nc2c([O-])ccc(Cl)c12
214176996	ZINC000337604924	ref	9.61	-10.63	0	287.403	3.339	0	2	4	CN(C[C@H]1OCCc2ccccc21)C(=O)CC1CCCC1
342083632	ZINC000625337087	high	3.75	-11.19	0	294.37	1.664	2	3	4	CC(=O)N1CC[C@H](NCc2cc(CO)ccc2F)[C@H](C)C1
342083633	ZINC000625338053	ref	4.96	-7.85	0	297.367	1.718	0	3	4	COCC1(S(=O)(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)CC1
178293617	ZINC000082787825	ref	4.82	-12.62	0	258.14	2.469	0	2	2	C[C@H](C#N)[S@@](=O)c1cccc(Br)c1
365623881	ZINC000121898578	ref	6.25	-15.34	0	285.269	2.278	1	3	6	CCN(CCC#N)C(=O)CNc1cc(F)c(F)c(F)c1
365638845	ZINC000274368309	ref	0.35	-9.1	0	264.297	1.483	3	3	5	Cc1ccsc1CNC(=O)NCC(F)(F)CO
365638847	ZINC000274368371	ref	2.64	-13.17	0	261.289	1.04	3	5	4	CCc1nnc([C@@H](C)NC(=O)Nc2cncnc2)[nH]1
365638849	ZINC000274368371	mid	2.15	-12.61	0	261.289	1.04	3	5	4	CCc1nc([C@@H](C)NC(=O)Nc2cncnc2)n[nH]1
365638851	ZINC000274368907	ref	4.92	-14.2	0	286.422	1.69	0	4	5	Cc1ncc(/C=C/C(=O)N(C)[C@H](C)C[S@](C)=O)s1
342083634	ZINC000625337982	ref	6.91	-42.18	1	292.423	1.624	2	2	2	O=C([C@@H]1CCCC12CC2)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
342083635	ZINC000625337982	mid	4.42	-7.78	0	292.423	1.624	1	3	2	O=C([C@@H]1CCCC12CC2)N1CCN([C@H]2CCC[C@@H]2O)CC1
342083636	ZINC000625337752	ref	1.66	-9.46	0	286.397	1.752	2	4	8	CCC[C@@H](CNS(=O)(=O)c1ccc(N)cc1)OCC
398246815	ZINC000651454875	ref	7.44	-10.92	0	273.38	3.194	2	1	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]1c1ccc[nH]1
398246817	ZINC000651454021	ref	8.12	-8.47	0	273.38	3.117	1	2	3	C[C@@H](c1ccccn1)N(C)C(=O)NC1CC2(CCC2)C1
342083637	ZINC000625337915	ref	1.0	-39.85	1	293.407	1.407	4	3	8	C[C@H](c1ccccc1)[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCC1
342083638	ZINC000625337984	ref	7.32	-39.33	1	292.423	1.624	2	2	2	O=C([C@@H]1CCCC12CC2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
178293628	ZINC000082788553	ref	7.5	-6.31	0	250.139	3.868	0	1	1	CCc1cccc2c(C)cc(Br)nc12
342083639	ZINC000625337984	mid	5.31	-7.73	0	292.423	1.624	1	3	2	O=C([C@@H]1CCCC12CC2)N1CCN([C@H]2CCC[C@H]2O)CC1
214176993	ZINC000278474767	ref	4.15	-9.33	0	304.341	3.055	1	5	4	Cc1nn(C)cc1CN[C@@H](C)c1nc(C(F)(F)F)cs1
342083640	ZINC000625338116	ref	3.2	-39.38	1	285.306	1.427	2	3	7	CC[N@H+](CCOC1CCOCC1)C[C@@H](O)C(F)(F)F
342083641	ZINC000625338116	mid	3.17	-39.45	1	285.306	1.427	2	3	7	CC[N@@H+](CCOC1CCOCC1)C[C@@H](O)C(F)(F)F
342083642	ZINC000625338116	mid	1.04	-4.76	0	285.306	1.427	1	4	7	CCN(CCOC1CCOCC1)C[C@@H](O)C(F)(F)F
342083643	ZINC000625337122	ref	4.21	-8.73	0	276.315	1.357	1	5	4	OCc1ccc(F)c(CN2CC[C@H](n3cncn3)C2)c1
342600630	ZINC000590841141	mid	7.03	-44.45	1	282.363	1.508	2	2	6	C[N@@H+](CCCCNC(=O)N1CC[C@](F)(C#N)C1)C1CC1
342598890	ZINC000590819242	ref	4.56	-50.09	-1	298.35	1.171	1	4	4	Cc1cccnc1CCCNC(=O)N=c1[n-]n(C)cc1C#N
299072423	ZINC000567666504	ref	3.78	-11.5	0	270.279	2.265	2	3	6	O=C(CCOCC(F)F)Nc1cccc2c1CCN2
299072428	ZINC000567669478	ref	3.3	-59.31	1	251.33	2.146	2	3	3	CCc1noc(C)c1NC(=O)C1([NH3+])CCCCC1
214176995	ZINC000278474767	low	5.34	-48.74	1	304.341	3.055	1	4	4	Cc1nn(C)cc1C[NH2+][C@@H](C)c1nc(C(F)(F)F)cs1
214176998	ZINC000278474762	ref	4.11	-8.89	0	304.341	3.055	1	5	4	Cc1nn(C)cc1CN[C@H](C)c1nc(C(F)(F)F)cs1
214177001	ZINC000278474762	low	5.34	-49.13	1	304.341	3.055	1	4	4	Cc1nn(C)cc1C[NH2+][C@H](C)c1nc(C(F)(F)F)cs1
214177003	ZINC000278475336	ref	2.45	-14.28	0	322.405	1.057	1	5	7	COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@@H](C)c2cccnc2)C1
214177006	ZINC000278475963	ref	3.26	-29.3	0	308.332	3.256	1	3	6	FC(F)c1nnc([N-][C@H](C[NH+]2CCCC2)c2ccccc2)o1
214177008	ZINC000278475963	mid	4.97	-44.85	1	308.332	3.256	2	4	6	FC(F)c1nnc(N[C@H](C[NH+]2CCCC2)c2ccccc2)o1
299072431	ZINC000567669478	high	3.41	-10.49	0	251.33	2.146	2	4	3	CCc1noc(C)c1NC(=O)C1(N)CCCCC1
299072433	ZINC000567667451	ref	4.96	-104.55	2	295.471	2.18	3	1	7	[NH3+][C@H](CCC(=O)NCC1CC[NH2+]CC1)CC1CCCCC1
342598891	ZINC000590819242	mid	4.02	-28.99	0	298.35	1.171	2	4	4	Cc1cccnc1CCCNC(=O)N=c1[nH]n(C)cc1C#N
214177010	ZINC000278475587	ref	7.53	-41.9	1	302.462	2.771	1	2	7	Cc1ccc(CC[C@@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1
214177012	ZINC000278474544	ref	5.4	-16.96	0	317.433	2.129	2	3	7	CC(C)CC(=O)NCCC(=O)NCc1ccc2c(n1)CCCC2
214177016	ZINC000278475809	ref	8.14	-15.93	0	309.373	2.468	1	4	5	CC(C)N(Cc1ccc(C#N)cc1)C(=O)NCc1cccnn1
214177019	ZINC000278475090	ref	6.62	-19.71	0	302.334	1.574	1	6	4	Cn1cnc(-c2cccc(NC(=O)CC3OCCCO3)c2)n1
214177023	ZINC000278473617	ref	3.83	-10.4	0	304.379	1.327	3	8	4	Cn1ncc2c(N)nc(NC[C@](C)(O)c3cccs3)nc21
342598892	ZINC000616986029	ref	7.86	-15.77	0	288.347	1.93	0	3	5	CC[C@H](C)N(CC)C(=O)CN1C(=O)c2ccccc2C1=O
342598893	ZINC000590819311	ref	5.45	-51.59	-1	261.329	1.368	0	3	2	CCC1(CC)CN(C(=O)N=c2[n-]n(C)cc2C#N)C1
197598164	ZINC000290109386	ref	0.75	-15.31	0	265.235	0.707	2	4	4	Cc1cc(C(F)(F)F)nn1CC(=O)N[C@H](C)CO
230234611	ZINC000336814989	ref	0.72	-14.23	0	296.345	-1.474	0	7	8	COC(=O)CN(CCS(=O)(=O)N(C)C)CC(=O)OC
230234622	ZINC000334250670	ref	0.43	-12.69	0	256.306	-1.005	2	3	3	CCNC(=O)CNC(=O)N1CC(=O)N(C)[C@H](C)C1
365623882	ZINC000354681903	ref	6.01	-18.72	0	296.411	1.837	1	3	6	CC(C)CCN(C(=O)[C@H]1CC[C@H](C(N)=O)O1)C1CCCC1
365623883	ZINC000354683732	ref	2.84	-10.61	0	276.262	1.578	2	3	4	Cc1cnc(CCNC(=O)N[C@H](C)C(F)(F)F)nc1
365623884	ZINC000354682218	ref	1.5	-9.29	0	250.289	1.348	3	2	7	C[C@H](CO)CCCNC(=O)N[C@H]1C[C@H]1C(F)F
282120514	ZINC000170842277	ref	4.64	-17.94	0	342.334	0.667	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(C#N)c1)CC2
342598894	ZINC000590819311	mid	5.16	-29.29	0	261.329	1.368	1	3	2	CCC1(CC)CN(C(=O)N=c2[nH]n(C)cc2C#N)C1
342598895	ZINC000616986138	ref	7.04	-9.45	0	276.38	1.992	1	2	7	CC[C@@H](C)N(CC)C(=O)CNC(=O)Cc1ccccc1
214176997	ZINC000337603866	ref	5.83	-8.18	0	259.4	3.025	1	5	6	CCCC[C@@H](C)C(=O)Nc1nc(SC)ns1
214177000	ZINC000337602597	ref	-0.08	-16.92	0	296.389	-0.875	1	5	10	CCN(CCOCCO)C(=O)CCS(=O)(=O)N(C)C
178293613	ZINC000237034986	ref	5.3	-53.63	1	351.472	1.216	1	3	5	CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)[C@@H]1CC[NH2+]C1
282120529	ZINC000493226782	ref	4.9	-18.28	0	272.312	0.454	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C=Cc1c[nH]cn1)CC2
365623885	ZINC000354681899	ref	5.95	-20.81	0	296.411	1.837	1	3	6	CC(C)CCN(C(=O)[C@@H]1CC[C@H](C(N)=O)O1)C1CCCC1
214177002	ZINC000337602969	ref	6.83	-41.07	1	285.457	2.056	3	2	6	CCS[C@H]1CCC[C@H](NC(=O)NCC[NH+]2CCC2)C1
214177004	ZINC000337602969	mid	3.64	-8.69	0	285.457	2.056	2	3	6	CCS[C@H]1CCC[C@H](NC(=O)NCCN2CCC2)C1
214177007	ZINC000337602653	ref	4.19	-17.29	0	267.285	0.672	1	6	6	COC(=O)Cn1ncc(NC(=O)CCC(C)=O)c1C
342598896	ZINC000590818995	ref	9.42	-92.7	2	281.444	1.661	2	1	5	CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCCC2)CC1
342598897	ZINC000590818995	mid	9.42	-94.81	2	281.444	1.661	2	1	5	CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCC2)CC1
342598898	ZINC000590818995	mid	7.26	-37.08	1	281.444	1.661	1	2	5	CC(C)[N@H+](C)CC1CCN(CC(=O)N2CCCC2)CC1
365623887	ZINC000354682358	ref	6.45	-9.36	0	278.396	1.546	0	3	4	C[C@H]1C(=O)CC[C@H]1CC(=O)N1CCN(CC2CC2)CC1
342598899	ZINC000590818995	mid	7.25	-38.45	1	281.444	1.661	1	2	5	CC(C)[N@@H+](C)CC1CCN(CC(=O)N2CCCC2)CC1
342598900	ZINC000590820533	ref	5.11	-46.5	-1	280.397	1.942	1	3	3	CSCC1CCC(NC(=O)N=c2cccn[n-]2)CC1
290623119	ZINC000492527817	ref	4.85	-12.21	0	275.348	2.251	1	3	6	COc1cccc(/C=C\C(=O)NCC[C@@H]2CCOC2)c1
342598901	ZINC000590820533	low	4.48	-14.81	0	280.397	1.942	2	3	3	CSCC1CCC(NC(=O)N=c2cccn[nH]2)CC1
178293615	ZINC000237034651	ref	7.77	-44.49	1	351.447	1.484	1	3	4	CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCN(c2ccccc2F)C1=O
178293618	ZINC000237034651	high	6.53	-17.38	0	351.447	1.484	1	4	4	CN(C(=O)C[C@@H]1CSCCN1)[C@H]1CCN(c2ccccc2F)C1=O
178293620	ZINC000237020206	ref	3.72	-49.11	1	352.21	1.245	2	4	7	CC[NH2+]CCNS(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]
178293623	ZINC000237020206	high	3.45	-38.49	0	352.21	1.245	1	4	7	CC[NH2+]CC[N-]S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]
178293625	ZINC000237037790	ref	3.88	-56.35	1	373.906	1.71	2	3	6	CC[NH2+]CC1CCN(C(=O)c2cc(S(=O)(=O)NC)ccc2Cl)CC1
178293627	ZINC000237028222	ref	9.68	-60.7	-1	368.38	1.679	0	4	6	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCc1cccc(F)c1F
178293629	ZINC000237029153	ref	9.33	-68.21	-1	371.437	1.8	1	4	5	Cc1[nH]c2ccccc2c1CC(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1
214176999	ZINC000293487299	ref	1.68	-19.19	0	372.512	0.985	0	6	7	COC[C@H]1CCN1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
214177005	ZINC000293487285	ref	3.53	-12.79	0	357.418	0.46	1	7	2	Cc1nnnn1-c1cccc(NC(=O)C(=O)N2C[C@H](C)N(C)[C@H](C)C2)c1
214177009	ZINC000293487285	mid	5.73	-44.67	1	357.418	0.46	2	6	2	Cc1nnnn1-c1cccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](C)[C@H](C)C2)c1
214177013	ZINC000293487285	mid	5.35	-45.09	1	357.418	0.46	2	6	2	Cc1nnnn1-c1cccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](C)[C@H](C)C2)c1
214177017	ZINC000293484502	ref	6.42	-43.13	1	370.457	0.52	2	5	3	C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1
214177021	ZINC000293484502	mid	5.84	-43.49	1	370.457	0.52	2	5	3	C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1
214177024	ZINC000293483114	ref	0.39	-15.83	0	351.403	0.613	3	5	7	CCOc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H](O)CC
178293634	ZINC000237032414	ref	5.46	-41.23	1	364.515	1.355	2	4	6	CCc1nc(CC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1
214177030	ZINC000293485079	ref	2.16	-13.05	0	355.398	0.911	2	6	4	Cc1nccnc1CCNC(=O)C(=O)Nc1ccc2c(c1)N(C)CCO2
214177038	ZINC000293476879	ref	3.51	-15.9	0	361.406	0.912	1	8	3	Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCC[C@H](C)[C@@H]3C)c2C)no1
214177042	ZINC000293484215	ref	1.14	-14.11	0	374.401	0.374	3	8	7	CC[C@H](O)CNC(=O)C(=O)Nc1ccc(OC)c(-n2nnnc2C2CC2)c1
178293636	ZINC000237020282	ref	10.47	-68.96	-1	369.421	1.872	0	5	5	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cccc(-n2cccc2)c1
365623886	ZINC000641591458	ref	0.54	-7.17	0	278.356	1.095	2	5	4	C[C@@H](O)C[C@H]1CCCCCN1c1cc(C(N)=O)ncn1
342598902	ZINC000590823664	ref	2.58	-18.46	0	290.335	1.878	2	2	5	C[S@@](=O)c1ccc(CNC(=O)NCC(C)(F)F)cc1
365623889	ZINC000641591027	ref	4.95	-10.74	0	275.348	1.611	1	3	5	CCOc1cccc(CCC(=O)N2C[C@H]3C[C@@]3(O)C2)c1
365623891	ZINC000641591334	ref	5.02	-11.73	0	288.395	1.981	1	3	1	CN1C(=O)N[C@@H]2CN(c3cc(C(C)(C)C)ccn3)CC[C@@H]21
365623893	ZINC000641591334	mid	5.31	-43.21	1	288.395	1.981	1	2	1	CN1C(=O)N[C@@H]2CN(c3cc(C(C)(C)C)cc[nH+]3)CC[C@@H]21
365623895	ZINC000641591103	ref	4.59	-13.28	0	295.285	1.521	1	3	4	O=C(CCC(=O)N1C[C@@H]2C[C@]2(O)C1)c1c(F)cccc1F
342598903	ZINC000590837860	ref	6.74	-49.85	1	261.369	1.837	2	2	2	C[C@@H]1CC=C(C(=O)NC2(C#N)CC[NH+](C)CC2)CC1
342598904	ZINC000590837860	mid	4.35	-12.05	0	261.369	1.837	1	3	2	C[C@@H]1CC=C(C(=O)NC2(C#N)CCN(C)CC2)CC1
365623897	ZINC000641591362	ref	5.6	-10.59	0	259.349	1.946	1	2	3	CCc1ccc([C@H](C)C(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
365623899	ZINC000641590973	ref	2.88	-15.9	0	277.267	1.974	1	3	1	O=C(c1cscc1C(F)(F)F)N1C[C@H]2C[C@@]2(O)C1
342598905	ZINC000590823238	ref	4.4	-14.03	0	269.32	1.593	1	3	4	COC1(CCNC(=O)N2CC[C@@](F)(C#N)C2)CCC1
290623120	ZINC000492526657	ref	7.6	-11.85	0	299.37	2.274	0	3	2	O=C(/C=C/c1ccc2c(c1)CCO2)N1CCOCC2(CC2)C1
365623901	ZINC000641591384	ref	5.19	-12.42	0	263.312	1.913	1	2	3	C[C@H](CC(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccccc1F
365623903	ZINC000641591102	ref	4.59	-13.27	0	295.285	1.521	1	3	4	O=C(CCC(=O)N1C[C@H]2C[C@@]2(O)C1)c1c(F)cccc1F
365623904	ZINC000641590989	ref	2.45	-11.23	0	253.342	1.176	1	3	3	COCC1(C(=O)N2C[C@H]3C[C@@]3(O)C2)CCCCC1
365623907	ZINC000641591038	ref	2.38	-8.48	0	298.408	1.41	0	4	3	COc1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)cc1
365623908	ZINC000641591038	low	4.57	-42.54	1	298.408	1.41	1	3	3	COc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1
282120516	ZINC000279096002	ref	7.9	-46.95	1	311.378	2.696	1	5	8	CCC(CC)(C[NH2+][C@@H](C)c1ccc(C(=O)OC)o1)C(=O)OC
342598906	ZINC000616990903	ref	5.63	-44.61	1	292.427	1.806	3	2	4	Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342598907	ZINC000616990903	mid	5.58	-44.25	1	292.427	1.806	3	2	4	Cc1n[nH]c(C)c1CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
282120527	ZINC000279096002	high	6.9	-8.61	0	311.378	2.696	1	6	8	CCC(CC)(CN[C@@H](C)c1ccc(C(=O)OC)o1)C(=O)OC
365623910	ZINC000641591038	low	4.47	-42.64	1	298.408	1.41	1	3	3	COc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1
214177015	ZINC000337605593	ref	-1.92	-17.91	0	293.389	-0.796	3	4	7	CCS(=O)(=O)NCCNC(=O)CNC(=O)C(C)(C)C
214177018	ZINC000337605149	ref	-1.55	-20.9	0	287.341	-0.235	3	4	6	CCS(=O)(=O)NCCNC(=O)c1ccc(C)[nH]c1=O
214177020	ZINC000337603463	ref	6.02	-11.87	0	264.373	2.167	2	3	4	CC[C@@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)nc21
136228626	ZINC000283280119	ref	3.69	-11.65	0	247.294	1.798	2	3	4	CC#CC(=O)Nc1ccc(OCC(C)(C)O)cc1
214177022	ZINC000337603463	low	5.96	-32.25	1	264.373	2.167	2	2	4	CC[C@@H](C)NC(=O)NC[C@@H]1CCCn2cc(C)[nH+]c21
214177025	ZINC000337605055	ref	3.0	-17.63	0	275.312	0.422	2	6	7	Cn1cc(OCC(=O)NCCNc2ccccn2)cn1
214177028	ZINC000337605055	low	3.47	-43.35	1	275.312	0.422	2	5	7	Cn1cc(OCC(=O)NCCNc2cccc[nH+]2)cn1
214177031	ZINC000337603054	ref	4.61	-37.17	1	273.446	0.882	2	3	7	CC[NH+]1CCN(CCC(=O)NC[C@@H](C)SC)CC1
214177032	ZINC000337603054	mid	4.49	-38.11	1	273.446	0.882	2	3	7	CCN1CC[NH+](CCC(=O)NC[C@@H](C)SC)CC1
214177034	ZINC000337603054	high	2.22	-7.06	0	273.446	0.882	1	4	7	CCN1CCN(CCC(=O)NC[C@@H](C)SC)CC1
214177036	ZINC000337602266	ref	5.01	-16.65	0	281.352	0.713	1	4	10	CN(CCOCCO)C(=O)COCCc1ccccc1
214177039	ZINC000337603613	ref	5.01	-15.52	0	272.304	0.698	2	4	5	O=C(CO)N[C@@H](Cn1ccccc1=O)c1ccccc1
214177041	ZINC000337602584	ref	7.15	-12.26	0	289.322	3.041	1	2	4	CSCC(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F
342083644	ZINC000625337122	mid	6.92	-46.4	1	276.315	1.357	2	4	4	OCc1ccc(F)c(C[N@@H+]2CC[C@H](n3cncn3)C2)c1
178293640	ZINC000082787885	ref	6.5	-12.76	0	270.357	3.887	0	4	3	Cc1cc(C)c2cccc(OCc3nccs3)c2n1
342083645	ZINC000625337122	mid	6.68	-44.96	1	276.315	1.357	2	4	4	OCc1ccc(F)c(C[N@H+]2CC[C@H](n3cncn3)C2)c1
342083646	ZINC000625338462	ref	2.0	-16.08	0	297.302	1.434	1	4	5	C=C(C)CS(=O)(=O)NCc1c(C(F)(F)F)cnn1C
342083647	ZINC000625338123	ref	5.17	-47.3	1	286.36	1.634	2	4	2	O=C1Nc2ccccc2[C@]12CC[N@H+](Cc1cnns1)C2
214177043	ZINC000337603053	ref	-0.7	-16.47	0	261.285	-0.11	4	3	5	NC(=O)NCC(=O)NCCc1c[nH]c2ncccc12
342083648	ZINC000625338123	mid	5.17	-52.17	1	286.36	1.634	2	4	2	O=C1Nc2ccccc2[C@]12CC[N@@H+](Cc1cnns1)C2
342083649	ZINC000625338123	mid	2.7	-11.91	0	286.36	1.634	1	5	2	O=C1Nc2ccccc2[C@]12CCN(Cc1cnns1)C2
214177045	ZINC000337602459	ref	6.49	-11.01	0	288.347	2.026	2	3	6	COC(=O)[C@H](C)CC(=O)NCCc1cccc2[nH]ccc12
214177048	ZINC000337605365	ref	-1.44	-9.57	0	260.334	-0.826	1	5	7	C[C@H](C(=O)N(C)CCOCCO)N1CCOCC1
214177026	ZINC000278473617	low	4.2	-35.51	1	304.379	1.327	3	7	4	Cn1ncc2c(N)[nH+]c(NC[C@](C)(O)c3cccs3)nc21
365623888	ZINC000354682358	mid	8.66	-48.69	1	278.396	1.546	1	2	4	C[C@H]1C(=O)CC[C@H]1CC(=O)N1CC[NH+](CC2CC2)CC1
282120517	ZINC000533449808	ref	3.99	-40.84	1	295.427	1.126	3	2	6	CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(C(N)=O)CCC2)C1
342598908	ZINC000590823665	ref	5.32	-10.2	0	283.347	1.983	1	3	4	CCOC1(CNC(=O)N2CC[C@@](F)(C#N)C2)CCCC1
214177027	ZINC000278473788	ref	10.04	-17.26	0	314.776	2.534	0	4	2	O=C(Cn1ccnc1)N1CCn2c(cc3c(Cl)cccc32)C1
214177029	ZINC000278473788	low	10.56	-43.15	1	314.776	2.534	0	3	2	O=C(Cn1cc[nH+]c1)N1CCn2c(cc3c(Cl)cccc32)C1
282120520	ZINC000533449808	mid	4.42	-40.5	1	295.427	1.126	3	2	6	CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2(C(N)=O)CCC2)C1
282120523	ZINC000533450631	ref	2.31	-12.21	0	267.329	1.107	1	5	8	CCc1nc(CCNC(=O)C2(CCOC)CC2)no1
365623890	ZINC000354683441	ref	3.55	-47.0	1	275.352	1.192	3	2	5	Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1
365623892	ZINC000354682150	ref	3.79	-11.37	0	263.341	1.182	2	4	3	O=C(NCC1(O)CCCC1)[C@@H]1CCCc2nccn21
290623121	ZINC000368076080	ref	7.97	-6.9	0	332.448	2.615	1	4	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3ccnn3C(C)(C)C)C2)C1
185090343	ZINC000096076011	low	3.46	-47.22	1	291.355	-0.543	2	4	3	CNC(=O)C[N@H+]1CC[C@@]12CCN(C(=O)c1ccn(C)n1)C2
290623126	ZINC000340171653	ref	4.56	-9.33	0	291.355	0.792	1	5	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cn(C)nn3)C2)C1
365623894	ZINC000354682150	mid	4.26	-36.36	1	263.341	1.182	2	3	3	O=C(NCC1(O)CCCC1)[C@@H]1CCCc2[nH+]ccn21
342598909	ZINC000590821027	ref	3.29	-9.89	0	298.364	1.769	2	5	2	COC(=O)c1csc(NC(=O)N2C[C@@H](O)C[C@@H](C)C2)c1
197598180	ZINC000162893097	ref	4.27	-15.85	0	304.737	2.014	1	5	4	CNC(=O)Cc1noc(Cn2ccc3ccc(Cl)cc32)n1
185090344	ZINC000096075931	ref	6.04	-34.08	1	278.371	2.122	1	2	5	COCC[N@@H+]1CC[C@@]12CCN(Cc1cccc(F)c1)C2
365623896	ZINC000354682620	ref	4.84	-7.31	0	294.326	1.078	1	3	3	C[C@H]1OCC[C@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1
365623898	ZINC000354682339	ref	4.31	-10.77	0	259.371	1.003	0	4	6	COCCCOC1CN(C(=O)[C@@H]2CCSC2)C1
197598182	ZINC000162893352	ref	4.7	-10.67	0	309.366	2.822	3	4	7	CCC(CC)[C@@H](O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C
323004225	ZINC000156275833	ref	7.55	-8.39	0	238.375	3.173	1	1	5	C=C(C)CNC(=O)N1CCC[C@H]1[C@@H](C)CCC
365623900	ZINC000354683186	ref	4.23	-12.28	0	275.414	1.56	0	3	3	C[C@H](CS(C)(=O)=O)C(=O)N1C[C@H](C)C[C@H](C)[C@@H]1C
214177033	ZINC000278475722	ref	9.22	-41.87	1	324.428	2.191	1	4	6	C#CCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1
178293639	ZINC000237025248	ref	9.91	-60.22	-1	358.438	1.89	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(c2ccccc2)CCC1
178293642	ZINC000237027987	ref	9.66	-60.25	-1	350.39	1.54	0	4	6	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCc1ccc(F)cc1
214177035	ZINC000278475722	high	8.0	-7.56	0	324.428	2.191	1	5	6	C#CCOc1ccccc1CN[C@@H]1CCCN(c2ccnn2C)C1
214177037	ZINC000278475333	ref	2.56	-14.04	0	322.405	1.057	1	5	7	COCCO[C@@H]1C[C@H](CO)CN(C(=O)[C@H](C)c2cccnc2)C1
178293645	ZINC000237025994	ref	7.85	-50.96	1	353.426	1.856	2	5	6	CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
178293647	ZINC000237025994	high	7.51	-15.29	0	353.426	1.856	2	6	6	CC[C@@H](C)[C@@H](N)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1
214177040	ZINC000278474772	ref	7.02	-16.22	0	318.417	2.567	2	3	7	COc1ccc([C@@H](C)NC(=O)[C@@H](CC2CCC2)NC(C)=O)cc1
214177044	ZINC000278475596	ref	4.85	-12.46	0	318.358	1.969	0	8	5	COC[C@@H](OC(=O)c1ccc2nnn(C)c2c1)c1nccs1
178293649	ZINC000237034807	ref	5.38	-61.58	1	372.513	1.694	1	3	5	CN(C(=O)CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1)C1CCCCC1
178293653	ZINC000237026764	ref	7.4	-95.12	2	356.474	1.105	3	4	7	C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1
178293655	ZINC000237026764	high	4.83	-52.55	1	356.474	1.105	2	5	7	CN(C)C[C@H](Cc1ccccc1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1
178293656	ZINC000237037403	ref	8.33	-64.69	-1	356.781	1.874	0	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cc(Cl)ccc1F
214177046	ZINC000278474581	ref	6.3	-50.45	1	323.795	3.449	2	2	7	COCc1cccc(C[NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)c1
214177049	ZINC000278474581	high	4.92	-6.07	0	323.795	3.449	2	3	7	COCc1cccc(CNC[C@H](O)c2cc(F)cc(Cl)c2)c1
214177053	ZINC000278475575	ref	6.38	-47.61	1	324.465	3.063	1	3	6	CSc1ccc([C@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1F
214177057	ZINC000278473820	ref	6.42	-15.16	0	313.405	1.451	1	5	4	Cc1cnccc1CC(=O)N[C@H]1CCCN(c2ccnn2C)C1
214177061	ZINC000278473679	ref	5.46	-22.58	0	317.357	1.4	0	3	2	C[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)CCS(=O)(=O)C1
342083650	ZINC000625338119	ref	5.15	-49.32	1	286.36	1.634	2	4	2	O=C1Nc2ccccc2[C@@]12CC[N@H+](Cc1cnns1)C2
282120518	ZINC000449149673	ref	6.34	-96.56	2	268.445	2.392	3	1	9	CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCC1
365623902	ZINC000354682306	ref	7.9	-49.4	1	288.391	1.144	2	2	5	O=C([C@H](O)Cc1ccccc1)N1CC[NH+](CC2CC2)CC1
365623905	ZINC000354682306	mid	5.69	-8.81	0	288.391	1.144	1	3	5	O=C([C@H](O)Cc1ccccc1)N1CCN(CC2CC2)CC1
365623906	ZINC000354684029	ref	4.26	-8.78	0	255.358	1.733	1	3	6	C[C@@H](CO[C@@H]1CCOC1)NC(=O)C(C)(C)C1CC1
342083651	ZINC000625338119	mid	5.17	-48.83	1	286.36	1.634	2	4	2	O=C1Nc2ccccc2[C@@]12CC[N@@H+](Cc1cnns1)C2
342083652	ZINC000625338119	mid	2.7	-9.07	0	286.36	1.634	1	5	2	O=C1Nc2ccccc2[C@@]12CCN(Cc1cnns1)C2
365623909	ZINC000354684347	ref	2.35	-13.93	0	280.343	1.539	2	3	4	CC(C)(O)CNC(=O)[C@@H]1CCN(c2ccccc2F)C1
306234522	ZINC000557847903	ref	1.74	-14.6	0	331.42	1.332	3	4	4	C[C@H](O)CN1CCN(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CC1
214177047	ZINC000293487280	ref	0.66	-46.32	1	356.37	0.174	3	5	4	Cn1cc(S(=O)(=O)NCC2(O)CC[NH+](C)CC2)c(C(F)(F)F)n1
306234523	ZINC000557847903	mid	4.01	-50.08	1	331.42	1.332	4	3	4	C[C@H](O)C[NH+]1CCN(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CC1
282120519	ZINC000449149673	mid	6.78	-92.15	2	268.445	2.392	3	1	9	CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)C1CCC1
282120525	ZINC000449150113	ref	5.21	-34.9	1	292.427	2.15	3	3	8	CC[NH+](CC)[C@@H](CNC(=O)c1ccc(N)cn1)CC(C)C
342083653	ZINC000625337720	ref	3.82	-8.94	0	263.403	1.911	1	3	10	CCC[C@@H](CNS(=O)(=O)CCC1CC1)OCC
342083654	ZINC000625336881	ref	4.44	-17.11	0	284.266	1.925	2	4	5	Cc1nnc(CCNC(=O)c2oc(C(F)F)cc2C)[nH]1
342083655	ZINC000625336881	mid	4.07	-13.6	0	284.266	1.925	2	4	5	Cc1n[nH]c(CCNC(=O)c2oc(C(F)F)cc2C)n1
342083656	ZINC000625337132	ref	2.75	-37.06	1	285.409	1.875	2	4	7	Cc1ccsc1[C@@H](CO)[NH2+]CCOC1CCOCC1
342083657	ZINC000625337132	high	1.52	-7.19	0	285.409	1.875	2	5	7	Cc1ccsc1[C@@H](CO)NCCOC1CCOCC1
342083658	ZINC000046673149	ref	6.65	-14.37	0	273.336	1.845	0	4	2	C[C@H]1CN(C(=O)[C@@H](C)n2cnc3ccccc32)CCO1
342083659	ZINC000625337064	ref	5.37	-36.91	1	262.401	1.8	2	3	6	CCN(Cc1ccnc(N)c1)C[C@@H]1CCC[N@@H+]1CC
342083660	ZINC000625337064	mid	5.19	-35.01	1	262.401	1.8	2	3	6	CCN(Cc1ccnc(N)c1)C[C@@H]1CCC[N@H+]1CC
342083661	ZINC000625336874	ref	6.5	-10.93	0	284.359	1.309	1	2	2	CC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21
342083662	ZINC000625338057	ref	4.4	-10.54	0	297.367	1.718	0	3	4	COCC1(S(=O)(=O)N2C[C@H](C)C(F)(F)[C@@H](C)C2)CC1
214177050	ZINC000293487280	high	-2.2	-42.34	-1	356.37	0.174	1	6	4	CN1CCC(O)(C[N-]S(=O)(=O)c2cn(C)nc2C(F)(F)F)CC1
214177054	ZINC000293484508	ref	6.24	-41.92	1	370.457	0.52	2	5	3	C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1
136228627	ZINC000191588359	ref	4.89	-49.69	-1	247.25	1.376	1	4	3	O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)COC2
342083663	ZINC000625337703	ref	1.26	-14.03	0	267.391	1.147	1	4	11	CCC[C@H](CNS(=O)(=O)CCCOC)OCC
342083664	ZINC000625337089	ref	4.5	-49.94	1	294.37	1.664	2	2	4	CC(=O)N1CC[C@H]([NH2+]Cc2cc(CO)ccc2F)[C@@H](C)C1
342083665	ZINC000625337089	high	3.31	-11.44	0	294.37	1.664	2	3	4	CC(=O)N1CC[C@H](NCc2cc(CO)ccc2F)[C@@H](C)C1
178293654	ZINC000082788367	ref	3.64	-7.23	0	252.111	3.32	1	2	0	Cc1cc(C)c2c(Br)ccc(O)c2n1
178293657	ZINC000082788367	high	4.41	-47.88	-1	252.111	3.32	0	2	0	Cc1cc(C)c2c(Br)ccc([O-])c2n1
342083666	ZINC000625337316	ref	2.84	-12.65	0	293.429	1.536	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@@H](OC)C1CC1)OCC
342083667	ZINC000625338106	ref	6.41	-34.24	1	277.397	1.96	1	5	4	Cc1nc([C@@H]2CCC[N@H+]2CCc2cn(C)nn2)cs1
342083668	ZINC000625338106	mid	6.23	-39.58	1	277.397	1.96	1	5	4	Cc1nc([C@@H]2CCC[N@@H+]2CCc2cn(C)nn2)cs1
342083669	ZINC000625338106	mid	3.86	-11.55	0	277.397	1.96	0	6	4	Cc1nc([C@@H]2CCCN2CCc2cn(C)nn2)cs1
342083670	ZINC000625337329	ref	3.64	-35.35	1	256.39	1.133	2	3	7	CCN1CCC[C@@H]1C[N@H+](CC)C[C@](C)(O)C(C)=O
342083671	ZINC000625337329	mid	3.6	-35.19	1	256.39	1.133	2	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)C[C@](C)(O)C(C)=O
342083672	ZINC000625337329	mid	4.42	-31.46	1	256.39	1.133	2	3	7	CCN(C[C@H]1CCC[N@@H+]1CC)C[C@](C)(O)C(C)=O
178293669	ZINC000082788438	ref	6.59	-6.88	0	287.075	3.287	0	1	0	Cc1ccnc2c(F)cc(I)cc12
178293671	ZINC000082788370	ref	3.64	-6.59	0	252.111	3.32	1	2	0	Cc1cc(C)c2c(Br)c(O)ccc2n1
178293673	ZINC000082788370	high	4.4	-40.64	-1	252.111	3.32	0	2	0	Cc1cc(C)c2c(Br)c([O-])ccc2n1
349533264	ZINC000594965700	ref	8.12	-60.53	1	251.333	2.594	1	2	5	Cc1ccncc1CC[NH2+]Cc1ccc(C#N)cc1
168365649	ZINC000042913296	low	4.97	-117.31	2	196.269	1.776	2	0	3	C[C@@H]([NH3+])[C@@H](c1ccc(F)cc1)[NH+](C)C
178293677	ZINC000082788363	ref	7.11	-5.13	0	283.112	3.456	0	1	0	Cc1cc(C)c2cc(I)ccc2n1
178293678	ZINC000082787967	ref	1.58	-14.52	0	275.695	3.159	0	5	3	Cc1nnc(COc2ccc(Cl)c3cccnc23)o1
178293680	ZINC000082788525	ref	3.45	-5.79	0	272.529	3.665	1	2	0	Cc1cc(Cl)nc2ccc(O)c(Br)c12
178293681	ZINC000082788525	mid	4.21	-35.42	-1	272.529	3.665	0	2	0	Cc1cc(Cl)nc2ccc([O-])c(Br)c12
197598185	ZINC000162882066	ref	3.34	-9.44	0	309.431	2.027	2	3	6	CCc1ccc(S(=O)(=O)N[C@@H]2C=C[C@H](CO)C2)cc1CC
342598910	ZINC000194620841	ref	5.97	-7.68	0	257.355	1.341	1	4	5	COC(=O)C1(C(=O)NCC2(SC)CCC2)CC1
214177051	ZINC000337605365	low	0.87	-36.55	1	260.334	-0.826	2	4	7	C[C@H](C(=O)N(C)CCOCCO)[NH+]1CCOCC1
214177052	ZINC000337604029	ref	-0.48	-19.85	0	296.389	-0.875	1	5	10	CCN(CC)S(=O)(=O)CC(=O)N(C)CCOCCO
214177055	ZINC000337603253	ref	4.82	-35.25	1	270.373	0.328	2	3	8	CN(CCOCCO)C(=O)[C@@H](C1CC1)[NH+]1CCCC1
214177058	ZINC000337603253	high	1.94	-10.79	0	270.373	0.328	1	4	8	CN(CCOCCO)C(=O)[C@@H](C1CC1)N1CCCC1
214177060	ZINC000337603103	ref	2.24	-22.02	0	293.342	0.954	2	3	5	NC(=O)CCCC(=O)N1CCN[C@H](c2cccc(F)c2)C1
214177062	ZINC000337603103	low	3.51	-66.98	1	293.342	0.954	2	2	5	NC(=O)CCCC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1
342598911	ZINC000590821465	ref	1.26	-18.87	0	291.351	1.329	4	3	6	CCNC(=O)c1cccc(NC(=O)NC[C@H](O)C2CC2)c1
342598912	ZINC000616988205	ref	1.66	-9.8	0	290.15	1.539	3	2	4	CNC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1
342598913	ZINC000194622716	ref	1.59	-14.88	0	273.264	1.63	2	3	4	O=S(=O)(Cc1c(F)cccc1F)Nc1cn[nH]c1
342598914	ZINC000194622716	mid	1.62	-49.02	-1	273.264	1.63	1	3	4	O=S(=O)(Cc1c(F)cccc1F)[N-]c1cn[nH]c1
342598915	ZINC000590821081	ref	4.12	-15.43	0	294.298	1.053	2	4	7	CCOC(=O)COCCNC(=O)N[C@@H]1CCCC1(F)F
342598916	ZINC000590822234	ref	5.31	-12.37	0	280.303	1.693	1	4	3	CCc1noc(C)c1CNC(=O)N1CC[C@](F)(C#N)C1
342598917	ZINC000616987198	ref	3.23	-14.47	0	287.146	1.888	2	2	3	O=C1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)N1
342598918	ZINC000590823444	ref	5.07	-11.89	0	283.347	1.84	1	3	5	COCC1(CCNC(=O)N2CC[C@](F)(C#N)C2)CCC1
214177064	ZINC000337605177	ref	5.09	-7.36	0	298.452	3.331	1	4	8	CCC(CC)[C@@H](CCNC(=O)c1nc(C)sc1C)OC
342598919	ZINC000590821326	ref	1.8	-10.71	0	292.335	1.74	3	4	4	O=C(NC[C@@H](O)C1CC1)Nc1ccc2c(c1)OCCCO2
342598920	ZINC000590823445	ref	5.1	-12.04	0	283.347	1.84	1	3	5	COCC1(CCNC(=O)N2CC[C@@](F)(C#N)C2)CCC1
342598921	ZINC000616986718	ref	6.4	-13.88	0	297.399	1.744	1	3	7	CC[C@H](C)N(CC)C(=O)CN1C(=O)NC(CC)(CC)C1=O
214177066	ZINC000337604802	ref	8.0	-11.71	0	286.375	2.087	0	2	3	Cc1ccc(/C=C/CC(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1
230234636	ZINC000334173960	ref	2.59	-23.15	0	256.306	-1.052	1	3	2	CNC(=O)CC(=O)N1CCN(C(=O)N(C)C)CC1
342598922	ZINC000590822538	ref	4.8	-47.84	-1	261.329	1.414	1	3	2	C[C@H](NC(=O)N=c1[n-]n(C)cc1C#N)C1CCCC1
306234524	ZINC000557852727	ref	2.01	-10.3	0	345.486	1.852	1	5	8	COC[C@@H](C)S(=O)(=O)N(Cc1cccs1)[C@@H]1C=C[C@H](CO)C1
178293660	ZINC000237020971	ref	4.66	-47.66	-1	368.48	1.956	1	6	8	CN(C)C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
365623911	ZINC000354681534	ref	4.06	-23.7	0	295.404	1.826	1	3	5	COc1ccccc1[C@H](C)CC(=O)N[C@H]1CC[S@](=O)C1
178293663	ZINC000237020971	mid	7.02	-69.15	0	368.48	1.956	2	5	8	C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
365623913	ZINC000354681767	ref	4.61	-45.02	1	297.443	1.576	3	2	9	CC(C)CCC[C@@H](C)NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
178293665	ZINC000237025363	ref	5.6	-56.38	1	364.465	1.354	2	3	7	CC[C@H](C)[C@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
178293668	ZINC000237025363	high	5.32	-18.01	0	364.465	1.354	2	4	7	CC[C@H](C)[C@H](N)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
136228628	ZINC000182801065	ref	2.85	-7.94	0	248.326	1.984	3	2	6	C=CC[C@H](CO)NC(=O)N[C@H](C)c1ccccc1
178293670	ZINC000237034390	ref	5.49	-45.61	1	372.513	1.622	1	3	5	CN(C(=O)CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1)C1CCCCC1
365623915	ZINC000354683482	ref	4.51	-4.94	0	296.411	1.611	2	3	3	CC(C)C1CCC(NC(=O)C(=O)N[C@@H]2CCO[C@@H]2C)CC1
178293672	ZINC000237034390	mid	5.16	-13.47	0	372.513	1.622	1	4	5	CN(C(=O)CN1CCN(C(=O)[C@H](N)c2ccccc2)CC1)C1CCCCC1
178293674	ZINC000237028838	ref	7.11	-56.29	-1	369.215	1.781	1	4	5	CC[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)[O-]
178293676	ZINC000237031276	ref	10.21	-66.58	-1	357.41	1.423	0	5	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cn1ccc2ccccc21
178293679	ZINC000237035960	ref	4.15	-69.97	0	357.451	1.659	1	3	6	CC[NH2+]CC1CCN(C(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)CC1
178293684	ZINC000237030184	ref	6.65	-88.16	2	356.474	1.544	3	4	6	Cc1c(C(=O)N[C@@H](C[NH+](C)C)c2ccccc2)nnn1C1CC[NH2+]CC1
178293686	ZINC000237030184	high	4.37	-51.36	1	356.474	1.544	2	5	6	Cc1c(C(=O)N[C@@H](CN(C)C)c2ccccc2)nnn1C1CC[NH2+]CC1
178293689	ZINC000237034244	ref	7.09	-56.69	-1	359.426	1.831	3	4	8	CC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)C(=O)[O-]
342598923	ZINC000590822538	mid	4.03	-25.46	0	261.329	1.414	2	3	2	C[C@H](NC(=O)N=c1[nH]n(C)cc1C#N)C1CCCC1
178293690	ZINC000237036640	ref	1.06	-57.31	1	367.494	1.576	1	6	9	CCO[C@@H](C)c1noc(CN2CCN(C(=O)C(CC)(CC)C[NH3+])CC2)n1
259308780	ZINC000403983567	ref	6.91	-13.13	0	231.295	1.731	1	2	6	C#C[C@H](CC)NC(=O)COCc1ccccc1
197598205	ZINC000290110333	ref	8.71	-11.83	0	282.343	2.913	1	3	5	O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1conc1C1CC1
214177056	ZINC000293484508	mid	7.99	-42.09	1	370.457	0.52	2	5	3	C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C(=O)Nc2ccc(C#N)cn2)CC1
214177059	ZINC000293479154	ref	2.13	-14.99	0	374.401	0.277	3	8	5	COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@@H]2C)cc1-n1cnnn1
197598208	ZINC000290110423	ref	4.81	-13.56	0	260.297	1.777	1	5	4	C[C@H](NC(=O)c1conc1C1CC1)c1cnn(C)c1
214177067	ZINC000293486734	ref	4.69	-14.6	0	360.296	0.533	1	8	5	COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1nnn(-c2ccn(C)n2)c1C
214177075	ZINC000293478403	ref	4.45	-17.08	0	372.381	0.695	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1)OC
214177079	ZINC000293482488	ref	0.57	-12.04	0	354.476	0.944	3	5	6	CNC(=O)[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCO[C@@H](C)C1
214177082	ZINC000293482488	low	2.69	-40.85	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1
214177085	ZINC000293482488	low	2.74	-41.12	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1
214177088	ZINC000293479873	ref	2.27	-19.92	0	363.414	0.513	3	5	7	CC[C@H](O)CNC(=O)C(=O)Nc1cccc(OCC(=O)N2CCCC2)c1
214177093	ZINC000293476360	ref	2.85	-59.04	1	362.474	0.867	5	3	8	CNC(=O)NCCC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1
214177094	ZINC000293476360	high	0.5	-20.57	0	362.474	0.867	4	4	8	CNC(=O)NCCC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1
214177099	ZINC000293486096	ref	0.69	-14.8	0	353.331	0.108	3	7	6	COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)c1
214177104	ZINC000293476949	ref	2.82	-32.39	0	366.443	0.406	2	5	5	CS(=O)(=O)C[C@@H]1CCN(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1
342083673	ZINC000625337329	mid	3.27	-34.35	1	256.39	1.133	2	3	7	CCN(C[C@H]1CCC[N@H+]1CC)C[C@](C)(O)C(C)=O
282120528	ZINC000248957346	ref	8.15	-83.15	2	311.445	1.799	2	1	3	C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1
342083674	ZINC000625337329	high	2.77	-3.52	0	256.39	1.133	1	4	7	CCN(C[C@H]1CCCN1CC)C[C@](C)(O)C(C)=O
342083675	ZINC000625337629	ref	3.23	-10.5	0	274.386	1.509	1	4	8	CCC[C@H](CNS(=O)(=O)c1cccn1C)OCC
342083676	ZINC000625337534	ref	5.73	-37.02	1	254.403	1.844	1	4	6	CCN(Cc1cnns1)C[C@H]1CCC[N@@H+]1CC
342083677	ZINC000625337534	mid	4.57	-40.25	1	254.403	1.844	1	4	6	CCN(Cc1cnns1)C[C@H]1CCC[N@H+]1CC
365623912	ZINC000641591119	ref	5.01	-14.71	0	261.321	1.105	1	3	4	Cc1cccc(COCC(=O)N2C[C@H]3C[C@@]3(O)C2)c1
365623914	ZINC000641590889	ref	4.64	-10.46	0	282.384	1.008	1	3	7	CCCN(CCC)C(=O)CCC(=O)N1C[C@H]2C[C@@]2(O)C1
306234525	ZINC000557845266	ref	2.87	-11.99	0	343.449	1.076	0	6	2	Cc1nn(C)cc1S(=O)(=O)N1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1
306234526	ZINC000557851357	ref	0.33	-15.94	0	346.387	1.054	4	4	3	CN(Cc1cccc(O)c1)C(=O)NC1CCC2(CC1)NC(=O)NC2=O
306234527	ZINC000557853454	ref	1.83	-8.84	0	335.148	1.907	3	2	4	O=C(NCc1cc(F)c(F)cc1Br)N[C@@H]1C[C@H]1CO
365623918	ZINC000641591295	ref	3.23	-9.41	0	276.336	1.466	1	4	2	CC(C)(C)Oc1cccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)n1
365623920	ZINC000641591363	ref	5.8	-9.58	0	259.349	1.946	1	2	3	CCc1ccc([C@H](C)C(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
365623923	ZINC000641591213	ref	5.9	-31.06	1	291.395	1.263	2	4	5	CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(c2cc(CO)ccn2)C1
342598924	ZINC000616986511	ref	7.87	-12.6	0	294.395	1.809	0	3	5	CC[C@@H](C)N(CC)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O
365623925	ZINC000641591057	ref	4.38	-6.52	0	278.381	1.903	1	6	2	CCc1cc2c(N3CCOCCN3)nc(C)nc2s1
365623927	ZINC000641591309	ref	4.49	-11.34	0	297.424	1.751	1	3	8	CCCCN(C)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365623930	ZINC000641591439	ref	5.42	-19.97	0	296.411	1.399	1	3	8	CCCN(CCC)C(=O)CCCC(=O)N1C[C@@H]2C[C@]2(O)C1
342598925	ZINC000590822229	ref	5.81	-48.31	-1	283.335	1.905	1	3	2	Cc1cccc([C@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)c1
342598926	ZINC000590822229	mid	5.13	-27.26	0	283.335	1.905	2	3	2	Cc1cccc([C@H](C)NC(=O)N=c2[nH]n(C)cc2C#N)c1
365623932	ZINC000641591023	ref	4.16	-16.76	0	293.273	1.479	1	4	2	O=C(c1c(C(F)F)nc2ccccn12)N1C[C@H]2C[C@@]2(O)C1
282120530	ZINC000449149725	ref	5.33	-8.01	0	259.353	2.362	2	3	3	Nc1ccc(C(=O)N[C@@H]2C[C@@H]2C2CCCCC2)nc1
214177063	ZINC000278473623	ref	6.68	-15.98	0	310.375	2.472	1	5	4	CSc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-]
282120534	ZINC000449149799	ref	4.3	-45.9	1	255.333	2.331	2	2	7	CC[C@@H](C)[C@H](O)C[NH2+]Cc1cc(F)cc(OC)c1
282120540	ZINC000449149799	high	2.95	-4.3	0	255.333	2.331	2	3	7	CC[C@@H](C)[C@H](O)CNCc1cc(F)cc(OC)c1
282120546	ZINC000449150070	ref	5.68	-41.89	1	282.428	2.225	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H](C)O[C@@H]2C)C1
342598927	ZINC000590821026	ref	3.43	-10.31	0	298.364	1.769	2	5	2	COC(=O)c1csc(NC(=O)N2C[C@H](C)C[C@@H](O)C2)c1
365623935	ZINC000641591460	ref	1.98	-5.97	0	278.356	1.095	2	5	4	C[C@H](O)C[C@@H]1CCCCCN1c1cc(C(N)=O)ncn1
178293683	ZINC000082788587	ref	7.18	-5.81	0	270.557	4.268	0	1	0	Cc1cc(Br)nc2c(C)c(Cl)ccc12
342083678	ZINC000625337534	high	3.77	-5.27	0	254.403	1.844	0	5	6	CCN(Cc1cnns1)C[C@H]1CCCN1CC
342083679	ZINC000625338172	ref	4.51	-18.11	0	291.273	1.458	0	4	3	Cc1cn(CC(=O)N(C)[C@H]2CCOC2)nc1C(F)(F)F
365623916	ZINC000354682877	ref	6.12	-38.03	1	299.459	1.912	3	2	10	CCCN(CC[NH+]1CCCC1)C(=O)NCCC[C@H](C)CO
342083680	ZINC000625337983	ref	6.81	-44.1	1	292.423	1.624	2	2	2	O=C([C@@H]1CCCC12CC2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
178293691	ZINC000082788570	ref	6.43	-6.17	0	256.53	3.959	0	1	0	Cc1cc(Br)nc2cc(Cl)ccc12
178293692	ZINC000082788557	ref	7.35	-6.53	0	250.139	3.923	0	1	0	Cc1ccc(C)c2c(C)cc(Br)nc12
342083681	ZINC000625337983	mid	4.65	-8.74	0	292.423	1.624	1	3	2	O=C([C@@H]1CCCC12CC2)N1CCN([C@@H]2CCC[C@H]2O)CC1
342083682	ZINC000625337538	ref	5.01	-41.07	1	254.403	1.844	1	4	6	CCN(Cc1cnns1)C[C@@H]1CCC[N@@H+]1CC
342083683	ZINC000625337538	mid	4.84	-38.72	1	254.403	1.844	1	4	6	CCN(Cc1cnns1)C[C@@H]1CCC[N@H+]1CC
342083684	ZINC000625337538	high	2.64	-4.85	0	254.403	1.844	0	5	6	CCN(Cc1cnns1)C[C@@H]1CCCN1CC
365623917	ZINC000354682877	high	3.67	-10.14	0	299.459	1.912	2	3	10	CCCN(CCN1CCCC1)C(=O)NCCC[C@H](C)CO
365623919	ZINC000354683994	ref	4.14	-4.93	0	296.411	1.611	2	3	3	CC(C)C1CCC(NC(=O)C(=O)N[C@H]2CCO[C@@H]2C)CC1
365623921	ZINC000354681670	ref	5.1	-45.84	1	295.427	1.282	2	2	5	C[C@@H]1CCC[C@H](N(C)C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1
365623922	ZINC000354683607	ref	6.73	-48.28	1	273.38	1.701	2	2	5	CC1=CC[N@H+](CCNC(=O)Cc2cccnc2C)CC1
365623924	ZINC000354683607	mid	6.73	-48.34	1	273.38	1.701	2	2	5	CC1=CC[N@@H+](CCNC(=O)Cc2cccnc2C)CC1
365623926	ZINC000354683607	high	4.15	-12.72	0	273.38	1.701	1	3	5	CC1=CCN(CCNC(=O)Cc2cccnc2C)CC1
365623928	ZINC000354683243	ref	3.93	-22.6	0	283.397	1.034	1	4	5	CC(C)c1nccn1CCC(=O)N[C@@H]1CC[S@@](=O)C1
282120531	ZINC000533447258	ref	6.61	-43.16	1	293.323	1.644	2	4	5	C[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1
168365650	ZINC000037452899	ref	1.36	-41.89	1	183.255	1.257	1	3	2	C[C@@H]([NH3+])Cc1nc(C(C)(C)C)no1
342083685	ZINC000625337704	ref	1.33	-10.79	0	267.391	1.147	1	4	11	CCC[C@@H](CNS(=O)(=O)CCCOC)OCC
342083686	ZINC000625337073	ref	4.71	-46.39	1	291.399	1.221	2	4	7	CCN(CC(=O)Nc1cnccn1)C[C@@H]1CCC[N@@H+]1CC
282120535	ZINC000533447258	mid	6.53	-43.4	1	293.323	1.644	2	4	5	C[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1
214177065	ZINC000278475709	ref	6.84	-51.34	1	318.396	2.866	1	4	6	CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cn1
214177068	ZINC000278475709	high	5.77	-8.47	0	318.396	2.866	1	5	6	CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H](C)c1ccc(F)cn1
214177070	ZINC000278473714	ref	4.06	-12.53	0	321.373	2.149	2	5	4	CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc(O)cc2O)C1
214177071	ZINC000278473714	high	5.02	-53.64	-1	321.373	2.149	1	5	4	CCOC(=O)[C@@]1(C(C)C)CCN(C(=O)c2ccc(O)cc2[O-])C1
342598928	ZINC000590823666	ref	5.29	-10.06	0	283.347	1.983	1	3	4	CCOC1(CNC(=O)N2CC[C@](F)(C#N)C2)CCCC1
214177073	ZINC000278475348	ref	6.99	-11.1	0	320.359	3.1	1	3	5	CCN(C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)[C@@H](C)C(C)C
214177074	ZINC000278474021	ref	5.09	-49.55	1	305.418	2.072	2	3	6	CCOC1CC(O)(C[NH2+][C@H]2CCc3ccc(OC)cc3C2)C1
342598929	ZINC000590821960	ref	4.08	-11.83	0	259.309	1.854	2	3	1	Cc1c(C#N)cccc1NC(=O)N1CC[C@@H](O)[C@H]1C
342598930	ZINC000590822163	ref	5.71	-48.04	1	294.399	1.044	2	3	3	C[C@@]1(C#N)CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1
214177076	ZINC000278474828	ref	10.57	-18.56	0	324.424	3.374	0	2	6	CC(=O)N(C)c1ccc(C(=O)N(C)CCCc2ccccc2)cc1
398246818	ZINC000651453240	ref	7.94	-12.36	0	285.391	3.088	1	2	4	O=C(NC1CC2(CCC2)C1)N(Cc1ccccn1)C1CC1
214177080	ZINC000278474618	ref	6.11	-18.77	0	317.414	2.737	2	4	4	CSc1ccc(NC(=O)NCc2ccc(C)n(C)c2=O)cc1
214177084	ZINC000278474601	ref	7.28	-10.1	0	308.389	2.302	1	6	4	Cn1ncc2c(N3CC[C@H](CNc4ccccn4)C3)ccnc21
342598931	ZINC000590822163	mid	5.7	-47.13	1	294.399	1.044	2	3	3	C[C@@]1(C#N)CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1
342598932	ZINC000590822163	mid	3.51	-18.03	0	294.399	1.044	1	4	3	C[C@@]1(C#N)CCCN(C(=O)NCCN2CCCOCC2)C1
197598231	ZINC000162886432	ref	5.18	-34.81	1	308.447	2.305	2	3	5	O=C(C[C@@H]1CCC[NH2+]1)N1CCC[C@@H]1C[C@@H](O)c1cccs1
214177086	ZINC000278474601	low	7.75	-38.17	1	308.389	2.302	1	5	4	Cn1ncc2c(N3CC[C@H](CNc4cccc[nH+]4)C3)ccnc21
342598933	ZINC000590822328	ref	3.45	-47.12	-1	291.355	1.04	1	4	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCOC(C)(C)C2)[n-]1
342598934	ZINC000590822328	mid	2.91	-27.47	0	291.355	1.04	2	4	2	Cn1cc(C#N)c(=NC(=O)NC[C@@H]2CCOC(C)(C)C2)[nH]1
282120532	ZINC000151592332	ref	6.29	-15.83	0	324.465	2.348	1	3	8	COCCC1(CNC(=O)CCC2CCN(C(C)=O)CC2)CCC1
230234650	ZINC000333120603	ref	-4.01	-17.06	0	291.373	-1.485	2	5	5	C[C@H]1OCC[C@@H]1S(=O)(=O)NCCN1CCNC(=O)C1
178293693	ZINC000237029295	ref	3.06	-49.47	1	353.488	1.253	2	3	6	CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1
178293695	ZINC000237029295	high	2.75	-14.88	0	353.488	1.253	2	4	6	CCS(=O)(=O)N1CCC(NC(=O)[C@H](C)[C@H](N)c2ccccc2)CC1
282120533	ZINC000263035604	ref	9.49	-35.85	0	337.46	3.424	1	4	10	CCC(CC)(C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C)C(=O)[O-]
282120545	ZINC000423040774	ref	5.32	-39.62	1	256.39	1.696	2	3	7	CCC(CC)(CN[C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)OC
365623929	ZINC000354683243	mid	4.41	-46.52	1	283.397	1.034	1	3	5	CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[S@@](=O)C1
365623931	ZINC000354683865	ref	1.91	-15.23	0	288.351	1.609	3	4	5	CC(C)[C@](C)(O)CNC(=O)c1c[nH]nc1-c1ccccn1
178293697	ZINC000237038976	ref	3.33	-40.97	1	352.504	1.637	1	5	6	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CCC[NH2+]3)CC2)cs1
178293700	ZINC000237020023	ref	10.19	-65.2	-1	358.438	1.961	0	4	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1ccc2c(c1)CCCC2
178293703	ZINC000237020771	ref	8.03	-61.25	-1	359.426	1.831	3	4	8	CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)C)C(=O)[O-]
365623933	ZINC000354683865	mid	2.21	-11.71	0	288.351	1.609	3	4	5	CC(C)[C@](C)(O)CNC(=O)c1cn[nH]c1-c1ccccn1
365623934	ZINC000354683865	high	2.04	-45.17	-1	288.351	1.609	2	4	5	CC(C)[C@](C)(O)CNC(=O)c1c[n-]nc1-c1ccccn1
178293707	ZINC000237027497	ref	9.13	-94.69	2	374.529	1.725	1	3	7	CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178293710	ZINC000237027497	low	6.78	-13.59	0	374.529	1.725	2	2	7	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178293711	ZINC000237027497	low	9.13	-94.69	2	374.529	1.725	2	2	7	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1
342598935	ZINC000590822334	ref	5.48	-47.42	-1	263.345	1.66	1	3	2	C[C@@H](CC(C)(C)C)NC(=O)N=c1[n-]n(C)cc1C#N
342598936	ZINC000590822334	mid	4.73	-23.99	0	263.345	1.66	2	3	2	C[C@@H](CC(C)(C)C)NC(=O)N=c1[nH]n(C)cc1C#N
178293713	ZINC000237027497	high	6.78	-13.59	0	374.529	1.725	1	4	7	CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](C)[C@@H](N)c2ccccc2)CC1
178293715	ZINC000237023310	ref	9.51	-59.22	-1	364.417	1.885	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)c1cccc(F)c1
342598937	ZINC000616990283	ref	5.31	-39.9	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2CCOCC2)C1
365623936	ZINC000354684272	ref	2.39	-11.99	0	290.363	1.584	3	3	3	C[C@H](NC(=O)N[C@@H]1Cc2cccc(O)c2C1)[C@@H]1CCOC1
214177069	ZINC000337603786	ref	0.16	-16.78	0	275.312	0.278	4	3	5	C[C@H](NC(N)=O)C(=O)NCCc1c[nH]c2ncccc12
214177072	ZINC000337605036	ref	-3.43	-12.0	0	282.3	-0.266	4	5	5	NC(=O)c1cc(CNC(=O)NC[C@@H]2CCC[C@H]2O)on1
214177077	ZINC000337605439	ref	1.29	-13.37	0	255.318	0.084	2	3	3	CC(C)N1C[C@@H](NC(=O)N[C@@H]2CCOC2)CC1=O
214177078	ZINC000337603510	ref	7.63	-8.86	0	299.365	3.422	0	3	4	CC[C@@H](C)n1ncc(C(=O)N2CCCC[C@H]2C(F)F)c1C
342598938	ZINC000616990283	mid	5.29	-39.42	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2CCOCC2)C1
214177081	ZINC000337604027	ref	7.04	-10.38	0	265.378	2.122	0	3	4	CSCC(=O)N(C)C[C@H]1OCCc2ccccc21
214177083	ZINC000337603369	ref	6.44	-9.86	0	273.336	3.192	1	5	4	CC(=O)c1c(C)oc2ncnc(NC[C@@H]3CC3(C)C)c12
214177087	ZINC000337604472	ref	4.79	-11.02	0	281.368	2.042	2	3	6	CSCC[C@@H](O)C(=O)NCC1CCC(F)(F)CC1
214177090	ZINC000337603231	ref	1.35	-9.03	0	292.326	0.985	1	4	5	O=C(CN1CCOCC1)N[C@@H]1CCCC[C@H]1OC(F)F
214177092	ZINC000337605714	ref	4.88	-14.73	0	260.341	2.203	3	2	5	CC[C@@H](C)NC(=O)NCCc1c[nH]c2ncccc12
214177095	ZINC000337603969	ref	6.53	-11.82	0	290.407	2.147	1	3	5	CCc1ccc([C@H]2CN(C(=O)[C@@H](CC)OC)CCN2)cc1
342598939	ZINC000590821328	ref	2.1	-10.5	0	292.335	1.74	3	4	4	O=C(NC[C@H](O)C1CC1)Nc1ccc2c(c1)OCCCO2
342598940	ZINC000616986512	ref	7.94	-12.37	0	294.395	1.809	0	3	5	CC[C@H](C)N(CC)C(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O
282120536	ZINC000248957346	mid	7.84	-83.82	2	311.445	1.799	2	1	3	C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1
214177097	ZINC000337603969	mid	7.8	-54.08	1	290.407	2.147	1	2	5	CCc1ccc([C@H]2CN(C(=O)[C@@H](CC)OC)CC[NH2+]2)cc1
214177098	ZINC000337603783	ref	0.16	-16.52	0	275.312	0.278	4	3	5	C[C@@H](NC(N)=O)C(=O)NCCc1c[nH]c2ncccc12
214177101	ZINC000337604964	ref	5.89	-11.81	0	280.368	3.132	1	3	5	COc1cc(NC(=O)N(C)CC(C)C)c(C)c(OC)c1
214177103	ZINC000337603693	ref	7.18	-20.09	0	258.325	2.259	1	4	6	CCc1cccnc1NC(=O)CCCn1cccn1
214177107	ZINC000337603714	ref	-1.96	-19.4	0	291.373	-0.596	3	4	7	O=C(NCCS(=O)(=O)NC1CC1)NC[C@H]1CCOC1
168365661	ZINC000041054147	ref	2.29	-36.08	1	145.246	1.537	1	1	2	C[C@@H]([NH3+])[C@@H](C)OC(C)(C)C
342598941	ZINC000590822222	ref	7.56	-51.7	-1	299.378	1.614	0	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)[n-]1
214177109	ZINC000337605102	ref	3.61	-9.61	0	282.34	0.88	1	5	6	C[C@H]1CCc2onc(C(=O)N(C)CCOCCO)c2C1
214177113	ZINC000337604922	ref	9.29	-7.84	0	287.403	3.339	0	2	4	CN(C[C@@H]1OCCc2ccccc21)C(=O)CC1CCCC1
214177089	ZINC000278474328	ref	7.34	-15.77	0	315.417	2.644	2	2	6	CC(C)NC(=O)CN(C)C(=O)C[C@@H](C)c1c[nH]c2ccccc12
342598942	ZINC000590822222	mid	6.73	-28.76	0	299.378	1.614	1	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)[nH]1
342598943	ZINC000590822176	ref	5.45	-47.03	-1	275.356	1.804	1	3	1	C[C@H]1CCCC[C@@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N
342598944	ZINC000590822176	mid	4.71	-23.08	0	275.356	1.804	2	3	1	C[C@H]1CCCC[C@@]1(C)NC(=O)N=c1[nH]n(C)cc1C#N
342598945	ZINC000590837861	ref	6.74	-49.92	1	261.369	1.837	2	2	2	C[C@H]1CC=C(C(=O)NC2(C#N)CC[NH+](C)CC2)CC1
214177091	ZINC000278474409	ref	2.98	-17.38	0	311.744	1.605	2	4	5	Cn1nccc1CC(=O)NC[C@@H](O)c1ccc(Cl)c(F)c1
185090345	ZINC000096075931	mid	6.06	-34.31	1	278.371	2.122	1	2	5	COCC[N@H+]1CC[C@@]12CCN(Cc1cccc(F)c1)C2
282120537	ZINC000533447258	mid	4.14	-9.24	0	293.323	1.644	1	5	5	CN(CC(=O)Nc1ccccc1[N+](=O)[O-])C1CCOCC1
365623937	ZINC000479733711	ref	2.41	-8.48	0	286.416	1.896	3	3	6	CO[C@H]1CCC[C@H]1CNC(=O)N[C@@H](C(C)C)C(C)(C)O
365623941	ZINC000641591441	ref	5.43	-19.9	0	296.411	1.399	1	3	8	CCCN(CCC)C(=O)CCCC(=O)N1C[C@H]2C[C@@]2(O)C1
365623943	ZINC000641591459	ref	0.37	-6.76	0	278.356	1.095	2	5	4	C[C@@H](O)C[C@@H]1CCCCCN1c1cc(C(N)=O)ncn1
214177096	ZINC000278474183	ref	6.68	-19.06	0	313.401	2.044	2	3	5	Cc1cccc(CCNC(=O)NCc2ccc(C)n(C)c2=O)c1
214177100	ZINC000278475099	ref	6.78	-14.38	0	315.373	1.328	1	5	4	C[C@H]1COCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O
290623123	ZINC000492526908	ref	8.04	-16.3	0	281.425	2.422	1	4	8	CCn1ccnc1/C=C\C(=O)NCCSCC(C)C
214177105	ZINC000278475226	ref	5.12	-10.59	0	306.406	2.937	2	3	3	COc1cc(C)c(NC(=O)N2CCC([C@@H](C)O)CC2)cc1C
214177108	ZINC000278474272	ref	7.01	-61.62	1	315.438	3.298	1	2	5	C[C@H](CC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1
214177110	ZINC000278474272	mid	5.84	-13.0	0	315.438	3.298	1	3	5	C[C@H](CCN[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1
342598946	ZINC000590837861	mid	4.35	-12.07	0	261.369	1.837	1	3	2	C[C@H]1CC=C(C(=O)NC2(C#N)CCN(C)CC2)CC1
365623946	ZINC000641591060	ref	4.28	-21.96	0	287.319	1.195	1	5	2	Cc1ccc(-c2nn(C)cc2C(=O)N2C[C@H]3C[C@@]3(O)C2)o1
342598947	ZINC000590822195	ref	5.21	-50.64	-1	261.329	1.223	0	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C(C)(C)C)C2)[n-]1
342598948	ZINC000590822195	mid	4.91	-29.11	0	261.329	1.223	1	3	0	Cn1cc(C#N)c(=NC(=O)N2CC(C(C)(C)C)C2)[nH]1
214177106	ZINC000293484360	ref	10.27	-22.09	0	366.805	0.827	0	7	7	COC(=O)CN(Cc1ccc(Cl)cc1)C(=O)CCn1ncn(C)c1=O
342083687	ZINC000625337073	mid	4.62	-43.6	1	291.399	1.221	2	4	7	CCN(CC(=O)Nc1cnccn1)C[C@@H]1CCC[N@H+]1CC
214177111	ZINC000293487002	ref	-0.04	-18.79	0	355.464	0.117	3	5	8	CCCNS(=O)(=O)NCc1cccnc1N1CCC(C(N)=O)CC1
185090346	ZINC000096075931	mid	5.33	-41.87	1	278.371	2.122	1	2	5	COCCN1CC[C@@]12CC[N@H+](Cc1cccc(F)c1)C2
365623938	ZINC000354681669	ref	5.12	-45.49	1	295.427	1.282	2	2	5	C[C@@H]1CCC[C@@H](N(C)C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1
365623939	ZINC000354682094	ref	2.04	-12.95	0	273.336	1.911	2	4	6	CC[C@H](O)CCCNC(=O)c1ccnc2ccncc12
185090347	ZINC000096075931	mid	5.48	-41.71	1	278.371	2.122	1	2	5	COCCN1CC[C@@]12CC[N@@H+](Cc1cccc(F)c1)C2
185090348	ZINC000096075931	high	3.02	-3.74	0	278.371	2.122	0	3	5	COCCN1CC[C@@]12CCN(Cc1cccc(F)c1)C2
342083688	ZINC000625337073	high	2.35	-11.09	0	291.399	1.221	1	5	7	CCN(CC(=O)Nc1cnccn1)C[C@@H]1CCCN1CC
136228629	ZINC000283258430	ref	5.42	-18.71	0	232.287	0.54	0	4	2	CC#CC(=O)N1CCC(Cn2ccnn2)CC1
136228630	ZINC000191583500	ref	2.55	-11.91	0	241.335	0.411	1	3	5	CC[C@H](C)NC(=O)[C@@H](C)N1CC(=O)N(CC)C1
342083689	ZINC000625337355	ref	4.03	-39.48	1	267.373	1.989	1	4	7	CCN(Cc1cc(OC)no1)C[C@@H]1CCC[N@@H+]1CC
342083690	ZINC000625337355	mid	3.84	-38.05	1	267.373	1.989	1	4	7	CCN(Cc1cc(OC)no1)C[C@@H]1CCC[N@H+]1CC
342083691	ZINC000625337355	high	1.65	-4.93	0	267.373	1.989	0	5	7	CCN(Cc1cc(OC)no1)C[C@@H]1CCCN1CC
342083692	ZINC000625337592	ref	5.78	-41.34	1	251.378	1.419	2	3	6	CCN(Cc1nnc(C)[nH]1)C[C@@H]1CCC[N@@H+]1CC
342083693	ZINC000625337592	mid	5.54	-42.97	1	251.378	1.419	2	3	6	CCN(Cc1nnc(C)[nH]1)C[C@@H]1CCC[N@H+]1CC
342083694	ZINC000625337592	mid	5.48	-35.81	1	251.378	1.419	2	3	6	CCN(Cc1n[nH]c(C)n1)C[C@@H]1CCC[N@@H+]1CC
342083695	ZINC000625337592	mid	5.24	-32.79	1	251.378	1.419	2	3	6	CCN(Cc1n[nH]c(C)n1)C[C@@H]1CCC[N@H+]1CC
342083696	ZINC000625337631	ref	3.52	-9.71	0	274.386	1.509	1	4	8	CCC[C@@H](CNS(=O)(=O)c1cccn1C)OCC
342083697	ZINC000625337293	ref	8.0	-41.25	1	279.432	1.994	1	4	8	CCCn1ncnc1CN(CC)C[C@@H]1CCC[N@@H+]1CC
342083698	ZINC000625337293	mid	8.65	-32.89	1	279.432	1.994	1	4	8	CCCn1ncnc1CN(CC)C[C@@H]1CCC[N@H+]1CC
342083699	ZINC000625338003	ref	4.09	-9.83	0	292.445	1.902	1	3	8	CCC[C@@H](CNS(=O)(=O)N1CCCCCC1)OCC
259308781	ZINC000322999765	ref	3.19	-13.8	0	242.348	1.427	2	5	6	CCCc1nsc(N[C@@H](C)CC(=O)NC)n1
342598949	ZINC000616991057	ref	5.48	-37.67	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)on1
365623940	ZINC000354683180	ref	8.83	-17.91	0	285.384	1.993	0	4	8	COC(=O)COCC(=O)N(CCC(C)C)C1CCCC1
365623942	ZINC000354684231	ref	8.85	-88.83	2	279.428	1.556	2	1	3	CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C
365623944	ZINC000354684231	mid	9.19	-86.76	2	279.428	1.556	2	1	3	CCC[N@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[NH+]2C[C@H]1C
365623945	ZINC000354684231	mid	8.8	-89.57	2	279.428	1.556	2	1	3	CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C
342598950	ZINC000616991057	mid	5.43	-37.52	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)on1
197598245	ZINC000162885469	ref	5.76	-42.91	1	308.447	2.162	2	3	7	O=C(C[NH2+]CC1CC1)N1CCC[C@@H]1C[C@@H](O)c1cccs1
342598951	ZINC000590822832	ref	3.95	-15.63	0	299.338	1.332	2	6	3	Cc1nn(C)c2ncc(NC(=O)NCc3nccn3C)cc12
342598952	ZINC000590822832	low	4.47	-43.27	1	299.338	1.332	2	5	3	Cc1nn(C)c2ncc(NC(=O)NCc3[nH+]ccn3C)cc12
214177112	ZINC000278473667	ref	6.67	-41.55	1	318.396	2.79	1	4	4	Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)nnn1-c1ccc(F)cc1
214177116	ZINC000278473667	high	5.73	-8.51	0	318.396	2.79	1	5	4	Cc1c([C@H](C)N[C@@H]2CCOC[C@H]2C)nnn1-c1ccc(F)cc1
214177119	ZINC000278473671	ref	6.7	-41.36	1	318.396	2.79	1	4	4	Cc1c([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)nnn1-c1ccc(F)cc1
214177121	ZINC000278473671	high	5.9	-8.5	0	318.396	2.79	1	5	4	Cc1c([C@H](C)N[C@@H]2CCOC[C@@H]2C)nnn1-c1ccc(F)cc1
365623947	ZINC000354684231	mid	8.09	-92.33	2	279.428	1.556	2	1	3	CCC[NH+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C
365623948	ZINC000354684231	high	6.44	-38.87	1	279.428	1.556	1	2	3	CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C
365623950	ZINC000354684231	high	5.68	-40.75	1	279.428	1.556	1	2	3	CCCN1CCC[C@@H]1C(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C
365623951	ZINC000354681673	ref	5.12	-45.57	1	295.427	1.282	2	2	5	CC1CCC(N(C)C(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CC1
365623952	ZINC000354684031	ref	4.27	-8.48	0	255.358	1.733	1	3	6	C[C@H](CO[C@H]1CCOC1)NC(=O)C(C)(C)C1CC1
365623954	ZINC000354683240	ref	3.94	-19.33	0	283.397	1.034	1	4	5	CC(C)c1nccn1CCC(=O)N[C@H]1CC[S@@](=O)C1
349533266	ZINC000621225596	mid	6.87	-38.48	1	280.334	2.423	2	1	5	C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)CC(F)(F)F)C1
365623956	ZINC000354683240	mid	4.41	-40.44	1	283.397	1.034	1	3	5	CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[S@@](=O)C1
365623958	ZINC000354683717	ref	1.58	-13.76	0	273.358	1.037	2	4	6	O=S(=O)(NCCC[C@H]1CCCCO1)c1c[nH]cn1
214177114	ZINC000293487002	low	0.43	-46.74	1	355.464	0.117	3	4	8	CCCNS(=O)(=O)NCc1ccc[nH+]c1N1CCC(C(N)=O)CC1
214177118	ZINC000293482714	ref	0.06	-18.05	0	371.459	0.987	3	5	9	CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c1
197598242	ZINC000290109490	ref	1.81	-12.93	0	284.36	0.58	3	5	7	CCCc1cc(NC(=O)N(CCO)C[C@@H](C)O)n(C)n1
342598953	ZINC000590821464	ref	0.96	-19.11	0	291.351	1.329	4	3	6	CCNC(=O)c1cccc(NC(=O)NC[C@@H](O)C2CC2)c1
342598954	ZINC000590840609	ref	-2.16	-14.44	0	290.323	1.559	1	6	6	NC(=O)CN(Cc1nnc(-c2ccco2)o1)C1CCCC1
342598955	ZINC000590840609	low	-0.35	-37.21	1	290.323	1.559	2	5	6	NC(=O)C[N@H+](Cc1nnc(-c2ccco2)o1)C1CCCC1
214177122	ZINC000293482247	ref	4.5	-11.6	0	351.403	0.612	2	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C)OC
214177129	ZINC000293482690	ref	5.62	-24.88	0	370.409	0.582	1	4	2	CN1C(=O)N[C@]2(CCN(C(=O)[C@H]3CCCN(c4ccccc4)C3=O)C2)C1=O
214177132	ZINC000293478709	ref	6.95	-12.94	0	356.43	0.795	1	6	3	Cc1nc(NC(=O)C(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)nn1C
214177139	ZINC000293478709	low	9.83	-47.9	1	356.43	0.795	2	5	3	Cc1nc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)nn1C
214177142	ZINC000293478709	low	9.52	-47.33	1	356.43	0.795	2	5	3	Cc1nc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nn1C
214177147	ZINC000293481286	ref	2.04	-51.68	1	366.447	0.39	3	6	8	CCn1nncc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH+](C)C)c1
214177153	ZINC000293481286	mid	-0.42	-14.01	0	366.447	0.39	2	7	8	CCn1nncc1C(=O)Nc1cccc(S(=O)(=O)NCCN(C)C)c1
214177156	ZINC000293477934	ref	0.73	-16.39	0	370.471	0.878	3	5	7	CC[C@@H](NC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)C(C)(C)O
214177161	ZINC000293477837	ref	-0.64	-17.65	0	351.403	0.659	4	5	6	CC[C@@H](NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC)C(C)(C)O
214177166	ZINC000293476822	ref	4.27	-44.87	1	363.414	0.769	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc(C(=O)OC)c1
214177170	ZINC000293476822	mid	5.1	-42.78	1	363.414	0.769	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2C)cc(C(=O)OC)c1
214177172	ZINC000293476822	mid	1.81	-10.08	0	363.414	0.769	2	6	6	COCc1cc(NC(=O)C(=O)NC[C@@H]2CCCN2C)cc(C(=O)OC)c1
342598956	ZINC000590840609	low	-0.19	-36.51	1	290.323	1.559	2	5	6	NC(=O)C[N@@H+](Cc1nnc(-c2ccco2)o1)C1CCCC1
178293718	ZINC000237030625	ref	9.21	-63.69	-1	352.818	1.664	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccccc1Cl
178293720	ZINC000237034811	ref	5.69	-49.43	1	358.442	1.989	3	3	7	CC[NH2+]Cc1ccccc1NC(=O)CCN1C(=O)NC2(CCCC2)C1=O
178293722	ZINC000237026302	ref	6.41	-46.27	1	372.513	1.721	2	3	6	CCc1ccccc1NC(=O)CN1CCN(C(=O)CC2CC[NH2+]CC2)CC1
178293723	ZINC000237018391	ref	4.55	-51.51	-1	363.233	1.608	2	5	6	CC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccc(Br)s1)C(=O)[O-]
178293725	ZINC000237029636	ref	2.52	-54.58	1	357.442	1.417	1	3	5	CCS(=O)(=O)N1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1
178293732	ZINC000237019081	ref	8.92	-62.67	-1	357.41	1.872	1	4	4	Cc1ccc2cc(C(=O)N(C)CC(=O)N3CCC[C@@H](C(=O)[O-])C3)[nH]c2c1
178293736	ZINC000237026908	ref	9.12	-95.56	2	374.529	1.725	1	3	7	CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178293738	ZINC000237026908	low	6.7	-14.46	0	374.529	1.725	2	2	7	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1
365623949	ZINC000641591095	ref	5.35	-13.36	0	287.359	1.782	1	3	4	COc1ccc([C@@H]2C[C@H]2CC(=O)N2C[C@H]3C[C@@]3(O)C2)cc1
365623953	ZINC000641591059	ref	4.26	-20.96	0	287.319	1.195	1	5	2	Cc1ccc(-c2nn(C)cc2C(=O)N2C[C@@H]3C[C@]3(O)C2)o1
365623955	ZINC000641591247	ref	6.04	-40.19	1	276.384	1.613	3	4	6	OC[C@@H](C[NH+]1CCCCC1)Nc1cc(C2CC2)ncn1
282120538	ZINC000248957346	high	6.9	-36.8	1	311.445	1.799	2	2	3	C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1
178293740	ZINC000237026908	low	9.12	-95.56	2	374.529	1.725	2	2	7	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178293742	ZINC000237026908	high	6.7	-14.46	0	374.529	1.725	1	4	7	CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1
178293744	ZINC000237034128	ref	4.41	-50.83	1	350.507	1.049	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1)C1CCCCC1
178293747	ZINC000237026771	ref	9.64	-91.74	2	366.55	1.415	1	3	7	CCN(CC)C(=O)CN1CCCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1
178293749	ZINC000237026771	mid	9.68	-91.78	2	366.55	1.415	2	2	7	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1
178293750	ZINC000237026771	mid	9.64	-91.74	2	366.55	1.415	2	2	7	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1
178293752	ZINC000237021646	ref	6.64	-69.06	-1	359.176	1.19	0	5	4	CN(CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Br)o1
214177115	ZINC000337603328	ref	-0.26	-10.41	0	285.388	0.264	2	4	5	C[C@@H](O)C[C@@H]1CCCN1C(=O)NCCN1CCOCC1
342598957	ZINC000590822185	ref	4.32	-47.19	-1	283.282	1.271	1	3	3	Cn1cc(C#N)c(=NC(=O)NCCC2CC(F)(F)C2)[n-]1
342598958	ZINC000590822185	mid	3.78	-28.42	0	283.282	1.271	2	3	3	Cn1cc(C#N)c(=NC(=O)NCCC2CC(F)(F)C2)[nH]1
214177117	ZINC000337603328	low	2.09	-46.39	1	285.388	0.264	3	3	5	C[C@@H](O)C[C@@H]1CCCN1C(=O)NCC[NH+]1CCOCC1
214177120	ZINC000337605342	ref	5.69	-15.22	0	285.29	2.417	1	3	4	O=C(COc1ccccc1O)N1CCCC[C@H]1C(F)F
342598959	ZINC000616987468	ref	2.9	-13.02	0	287.146	1.746	2	2	3	O=C1C[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2)CN1
214177123	ZINC000337603457	ref	6.02	-11.93	0	264.373	2.167	2	3	4	CC[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)nc21
282120539	ZINC000493226782	low	5.34	-53.04	1	272.312	0.454	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)CC2
214177125	ZINC000337603457	low	5.96	-32.28	1	264.373	2.167	2	2	4	CC[C@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21
365623957	ZINC000641591247	high	3.77	-6.93	0	276.384	1.613	2	5	6	OC[C@@H](CN1CCCCC1)Nc1cc(C2CC2)ncn1
214177127	ZINC000337603254	ref	4.46	-35.15	1	270.373	0.328	2	3	8	CN(CCOCCO)C(=O)[C@H](C1CC1)[NH+]1CCCC1
342598960	ZINC000616987197	ref	3.22	-14.84	0	287.146	1.888	2	2	3	O=C1CC[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)N1
342598961	ZINC000616991058	ref	5.48	-37.22	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)on1
365623960	ZINC000641591327	ref	3.74	-9.34	0	261.252	1.779	1	3	1	O=C(c1cc2cc(F)ccc2o1)N1C[C@@H]2C[C@]2(O)C1
178293727	ZINC000082788513	ref	5.63	-4.78	0	261.63	4.095	0	2	1	Cc1cc(Cl)nc2ccc(OC(F)(F)F)cc12
197598258	ZINC000290109758	ref	5.13	-9.4	0	292.379	2.945	2	3	4	CO[C@H](C)[C@@H](C)NC(=O)Nc1ccc2c(c1)CC(C)(C)O2
342598962	ZINC000616991058	mid	5.49	-37.48	1	265.357	1.833	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)on1
214177130	ZINC000337603254	high	2.1	-12.76	0	270.373	0.328	1	4	8	CN(CCOCCO)C(=O)[C@H](C1CC1)N1CCCC1
398246820	ZINC000651452959	ref	8.86	-12.69	0	294.345	3.439	1	1	3	CN(Cc1ccc(F)c(F)c1)C(=O)NC1CC2(CCC2)C1
342598963	ZINC000590822279	ref	3.17	-49.0	-1	279.344	1.04	1	4	5	CCC(C)(C)OCCNC(=O)N=c1[n-]n(C)cc1C#N
197598264	ZINC000290109713	ref	4.39	-8.37	0	283.69	2.026	1	3	2	CN1N=C(C(=O)Nc2cccc(F)c2Cl)CCC1=O
342598964	ZINC000590822279	mid	2.63	-27.2	0	279.344	1.04	2	4	5	CCC(C)(C)OCCNC(=O)N=c1[nH]n(C)cc1C#N
342598965	ZINC000616986510	ref	7.99	-12.59	0	294.395	1.809	0	3	5	CC[C@H](C)N(CC)C(=O)CN1C(=O)[C@H]2CCCC[C@H]2C1=O
342083700	ZINC000625337086	ref	4.5	-49.93	1	294.37	1.664	2	2	4	CC(=O)N1CC[C@@H]([NH2+]Cc2cc(CO)ccc2F)[C@H](C)C1
178293729	ZINC000082788562	ref	5.28	-9.58	0	252.111	3.314	0	2	1	COc1cccc2c(C)cc(Br)nc12
342083701	ZINC000625337086	high	3.54	-10.94	0	294.37	1.664	2	3	4	CC(=O)N1CC[C@@H](NCc2cc(CO)ccc2F)[C@H](C)C1
178293731	ZINC000082788534	ref	7.08	-5.78	0	290.975	4.613	0	1	0	Cc1cc(Cl)nc2c(Br)cc(Cl)cc12
365623959	ZINC000354683717	high	1.21	-53.81	-1	273.358	1.037	1	4	6	O=S(=O)([N-]CCC[C@H]1CCCCO1)c1c[nH]cn1
365623961	ZINC000354682092	ref	2.04	-12.95	0	273.336	1.911	2	4	6	CC[C@@H](O)CCCNC(=O)c1ccnc2ccncc12
365623963	ZINC000354682894	ref	5.12	-17.41	0	289.339	1.46	0	6	4	CC[C@H](C(=O)N1CC(n2ccnn2)C1)c1c(C)noc1C
365623965	ZINC000354682145	ref	3.68	-11.02	0	263.341	1.182	2	4	3	O=C(NCC1(O)CCCC1)[C@H]1CCCc2nccn21
365623966	ZINC000354682145	mid	4.15	-37.54	1	263.341	1.182	2	3	3	O=C(NCC1(O)CCCC1)[C@H]1CCCc2[nH+]ccn21
365623968	ZINC000354681714	ref	0.04	-12.74	0	276.296	1.277	3	6	3	COc1cc(O)cc(NC(=O)c2c(C)nn(C)c2N)c1
365623970	ZINC000354681647	ref	3.84	-10.0	0	285.369	1.477	1	6	6	COC(=O)[C@H](C)CC(=O)NCc1nnc(C(C)C)s1
365623971	ZINC000354681509	ref	3.84	-20.87	0	291.825	1.971	1	3	4	O=C(CCc1cc(Cl)cs1)N[C@H]1CC[S@](=O)C1
178293733	ZINC000082788550	ref	7.41	-6.14	0	250.139	3.923	0	1	0	Cc1cc(C)c2nc(Br)cc(C)c2c1
342083702	ZINC000625336893	ref	2.23	-11.27	0	298.346	1.334	0	5	4	COc1cncc(CN2CCN(c3ccccc3)C(=O)C2)n1
342083703	ZINC000625338002	ref	3.8	-10.44	0	292.445	1.902	1	3	8	CCC[C@H](CNS(=O)(=O)N1CCCCCC1)OCC
342083704	ZINC000625336972	ref	2.99	-7.21	0	263.341	1.355	2	3	5	CCO[C@@H](C[N@@H+]1CCc2n[nH]c(=O)cc2C1)C1CC1
342083705	ZINC000625336972	mid	5.49	-52.27	1	263.341	1.355	2	3	5	CCO[C@@H](C[N@H+]1CCc2n[nH]c(=O)cc2C1)C1CC1
342083706	ZINC000625336972	high	2.99	-7.21	0	263.341	1.355	1	4	5	CCO[C@@H](CN1CCc2n[nH]c(=O)cc2C1)C1CC1
342083707	ZINC000625337297	ref	8.79	-38.48	1	279.432	1.994	1	4	8	CCCn1ncnc1CN(CC)C[C@H]1CCC[N@@H+]1CC
178293745	ZINC000082788444	ref	5.16	-6.88	0	252.111	3.314	0	2	1	COc1ccc2nccc(C)c2c1Br
178293746	ZINC000082788522	ref	3.45	-6.67	0	272.529	3.665	1	2	0	Cc1cc(Cl)nc2c(O)ccc(Br)c12
168365663	ZINC000043336354	ref	4.43	-48.47	1	191.234	1.413	1	3	3	C[C@@H]([NH3+])[C@@H](c1ccco1)n1ccnc1
178293748	ZINC000082788522	high	4.22	-43.67	-1	272.529	3.665	0	2	0	Cc1cc(Cl)nc2c([O-])ccc(Br)c12
398246822	ZINC000651453724	ref	8.53	-7.41	0	252.402	3.395	1	1	4	CCN(C(=O)NC1CC2(CCC2)C1)[C@@H](C)C(C)C
342598966	ZINC000616987161	ref	0.85	-16.49	0	290.15	1.668	3	2	5	NC(=O)NCCC(=O)NCc1cc(Cl)cc(Cl)c1
342598967	ZINC000590821028	ref	3.42	-10.27	0	298.364	1.769	2	5	2	COC(=O)c1csc(NC(=O)N2C[C@@H](C)C[C@H](O)C2)c1
214177124	ZINC000278474167	ref	-2.37	-49.15	-1	309.303	1.476	0	7	4	O=S(=O)([N-]c1nnc(C2CC2)o1)c1ccc2c(c1)OCO2
214177126	ZINC000278474167	low	-1.44	-11.99	0	309.303	1.476	1	7	4	O=S(=O)(Nc1nnc(C2CC2)o1)c1ccc2c(c1)OCO2
214177131	ZINC000278474416	ref	8.94	-15.82	0	324.371	2.618	1	2	6	CC(=O)N[C@H](CC1CCC1)C(=O)N(C)Cc1ccc(F)c(F)c1
214177134	ZINC000278474309	ref	4.39	-9.47	0	307.287	2.58	2	2	4	CC(C)(C)[C@@H](CO)NC(=O)C(F)(F)c1c(F)cccc1F
214177136	ZINC000278474309	high	3.14	-48.93	-1	307.287	2.58	1	2	4	CC(C)(C)[C@@H](CO)[N-]C(=O)C(F)(F)c1c(F)cccc1F
214177140	ZINC000278474779	ref	7.02	-15.71	0	318.417	2.567	2	3	7	COc1ccc([C@H](C)NC(=O)[C@@H](CC2CCC2)NC(C)=O)cc1
214177143	ZINC000278474270	ref	5.83	-8.82	0	312.373	2.274	2	3	2	C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2-c2cn[nH]c2)C1
282120541	ZINC000151597441	ref	4.79	-22.09	0	306.362	2.044	1	4	6	COC[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)C(C)C
342598968	ZINC000590822791	ref	1.62	-12.58	0	289.339	1.169	3	5	4	Cc1nn(C)c2ncc(NC(=O)NC[C@@H](O)C3CC3)cc12
282120551	ZINC000151591866	ref	7.78	-9.08	0	312.454	2.441	0	3	6	CCN(CC)C(=O)CCC(=O)N1CCC(OC(C)(C)C)CC1
342598969	ZINC000590828543	ref	3.94	-11.03	0	278.312	1.248	2	5	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccnnc1C
282120558	ZINC000151595613	ref	5.27	-12.15	0	323.458	2.134	2	4	7	Cc1cccc(CSCC(=O)NCC2(CO)CCOCC2)c1
214177159	ZINC000278474224	ref	5.02	-43.27	1	318.417	2.061	2	3	9	CCC(CC)(CCO)C[NH2+]CCN1C(=O)c2ccccc2C1=O
214177163	ZINC000278474485	ref	6.62	-19.88	0	303.337	1.879	1	4	6	C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccnn1C
214177167	ZINC000278473627	ref	6.26	-16.18	0	310.375	2.472	1	5	4	CSc1ccc(C(=O)N[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-]
214177171	ZINC000278475814	ref	2.01	-11.86	0	302.31	1.494	0	8	3	Cc1nsc(N2CCN(c3nnc(C(F)F)o3)CC2)n1
214177174	ZINC000278475556	ref	8.55	-12.39	0	300.41	2.46	1	6	5	C[C@@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)C1CCC1
342598970	ZINC000616990284	ref	5.26	-39.8	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2CCOCC2)C1
214177179	ZINC000278473780	ref	3.12	-11.49	0	303.366	1.424	1	6	3	Cc1nc(C)c(C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)o1
214177128	ZINC000053350688	ref	5.74	-15.28	0	329.425	2.107	1	4	4	O=C(Cc1ccsc1)NC1CCN(C(=O)c2ccncc2)CC1
197598265	ZINC000162879664	ref	4.91	-7.0	0	308.447	2.835	3	3	6	C[C@](O)(CNC(=O)NCC1(C2CC2)CCC1)c1ccsc1
342598971	ZINC000616990284	mid	5.31	-40.23	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2CCOCC2)C1
365623962	ZINC000641591025	ref	4.95	-11.17	0	275.348	1.611	1	3	5	CCOc1cccc(CCC(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365623964	ZINC000641591243	ref	4.48	-12.45	0	269.703	1.615	1	2	2	O=C(Cc1ccc(F)c(Cl)c1)N1C[C@H]2C[C@@]2(O)C1
282120542	ZINC000248957346	high	6.6	-35.1	1	311.445	1.799	2	2	3	C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1
282120547	ZINC000248955411	ref	4.7	-12.91	0	312.435	1.843	0	4	7	CCCN(CCc1ccccn1)S(=O)(=O)[C@@H]1CCO[C@H]1C
214177138	ZINC000053327288	ref	3.19	-14.1	0	335.454	2.347	2	5	6	Cc1csc(SCc2ccc(C(=O)N[C@H](C)C(N)=O)cc2)n1
342598972	ZINC000590837822	ref	4.17	-16.31	0	293.388	1.412	1	3	3	O=C(NC1CCS(=O)(=O)CC1)C1(c2ccccc2)CC1
342598973	ZINC000590821082	ref	4.13	-14.24	0	294.298	1.053	2	4	7	CCOC(=O)COCCNC(=O)N[C@H]1CCCC1(F)F
214177145	ZINC000053328555	ref	3.02	-10.25	0	328.796	2.131	2	4	8	CCCCOc1c(Cl)cc(C(=O)N[C@H](C)C(N)=O)cc1OC
365623967	ZINC000641591022	ref	4.17	-14.45	0	293.273	1.479	1	4	2	O=C(c1c(C(F)F)nc2ccccn12)N1C[C@@H]2C[C@]2(O)C1
299072427	ZINC000354605084	ref	2.79	-17.09	0	347.423	0.402	2	7	7	CC[C@@H](NC(=O)C(=O)NCCCn1ccnn1)c1c(C)nn(C)c1C
365623969	ZINC000641590891	ref	4.64	-10.36	0	282.384	1.008	1	3	7	CCCN(CCC)C(=O)CCC(=O)N1C[C@@H]2C[C@]2(O)C1
365623972	ZINC000641591231	ref	2.92	-12.9	0	277.267	1.974	1	3	1	O=C(c1ccsc1C(F)(F)F)N1C[C@@H]2C[C@]2(O)C1
365623975	ZINC000641591156	ref	3.35	-10.08	0	294.782	1.536	1	3	3	CN(C)[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccc(Cl)cc1
365623977	ZINC000641591156	mid	5.41	-39.88	1	294.782	1.536	2	2	3	C[NH+](C)[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)c1ccc(Cl)cc1
365623979	ZINC000641593451	ref	3.58	-9.48	0	274.43	1.531	0	3	3	CC(C)C1(S(=O)(=O)N2CCN(C)C(C)(C)C2)CC1
365623982	ZINC000641593451	low	5.75	-44.38	1	274.43	1.531	1	2	3	CC(C)C1(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)CC1
365623984	ZINC000641593451	low	5.05	-46.44	1	274.43	1.531	1	2	3	CC(C)C1(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)CC1
290009739	ZINC000458859153	ref	5.25	-9.16	0	274.38	2.317	2	2	5	CC(C)(C)CN(CCCO)C(=O)N[C@@H]1CCC[C@@H]1F
365623986	ZINC000641591246	ref	4.47	-12.91	0	269.703	1.615	1	2	2	O=C(Cc1ccc(F)c(Cl)c1)N1C[C@@H]2C[C@]2(O)C1
178293751	ZINC000082787829	ref	4.85	-18.51	0	258.14	2.469	0	2	2	C[C@H](C#N)[S@](=O)c1cccc(Br)c1
342083708	ZINC000625337297	mid	7.67	-42.14	1	279.432	1.994	1	4	8	CCCn1ncnc1CN(CC)C[C@H]1CCC[N@H+]1CC
342083709	ZINC000625337646	ref	2.35	-9.62	0	293.429	1.679	1	4	8	CCC[C@H](CNS(=O)(=O)[C@@H]1CCO[C@H](C)C1)OCC
178293756	ZINC000082788573	ref	6.05	-6.58	0	258.065	3.584	0	1	0	Cc1cc(Br)nc2c(F)ccc(F)c12
342083710	ZINC000625337218	ref	2.43	-12.32	0	275.399	1.354	1	4	4	O=S(=O)(NCc1ccns1)N1CCCCCC1
342083711	ZINC000625338117	ref	3.8	-6.32	0	294.351	1.279	0	5	3	Cc1cc(C2(C(=O)N(C)[C@@H]3CCOC3)CCOCC2)on1
342083712	ZINC000625337137	ref	2.73	-37.99	1	285.409	1.875	2	4	7	Cc1ccsc1[C@H](CO)[NH2+]CCOC1CCOCC1
342083713	ZINC000625337137	high	1.39	-6.79	0	285.409	1.875	2	5	7	Cc1ccsc1[C@H](CO)NCCOC1CCOCC1
178293763	ZINC000082787875	ref	5.95	-12.66	0	256.33	3.579	0	4	3	Cc1ccc2cccc(OCc3nccs3)c2n1
342083714	ZINC000625337895	ref	4.07	-10.54	0	298.427	1.105	1	4	5	CCO[C@H](C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C(C)C
342083715	ZINC000625337895	mid	6.04	-42.43	1	298.427	1.105	2	3	5	CCO[C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C
342083716	ZINC000089931929	ref	1.38	-11.53	0	287.363	1.177	2	4	4	C[C@H](O)[C@@H]1CCCN([C@H](C(N)=O)c2ccc(C#N)cc2)C1
178293769	ZINC000082788381	ref	7.26	-5.94	0	270.557	4.268	0	1	0	Cc1cc(C)c2cc(Cl)cc(Br)c2n1
178293771	ZINC000082788625	ref	7.03	-5.59	0	290.975	4.613	0	1	0	Cc1cc(Br)nc2c(Cl)cc(Cl)cc12
342083717	ZINC000089931929	mid	3.31	-44.97	1	287.363	1.177	3	3	4	C[C@H](O)[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1
361822941	ZINC000562824862	ref	7.67	-42.38	1	290.411	1.948	2	2	2	C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCC1
178293775	ZINC000082787816	ref	5.11	-20.66	0	258.14	2.47	0	2	3	N#CCC[S@](=O)c1cccc(Br)c1
342083718	ZINC000089931929	mid	3.34	-45.66	1	287.363	1.177	3	3	4	C[C@H](O)[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(C#N)cc2)C1
342083719	ZINC000625337403	ref	6.33	-39.61	1	283.46	1.955	2	2	7	CCN(CC(=O)NCC(C)(C)C)C[C@@H]1CCC[N@@H+]1CC
342083720	ZINC000625337403	mid	6.12	-36.55	1	283.46	1.955	2	2	7	CCN(CC(=O)NCC(C)(C)C)C[C@@H]1CCC[N@H+]1CC
342083721	ZINC000625337403	high	3.95	-5.67	0	283.46	1.955	1	3	7	CCN(CC(=O)NCC(C)(C)C)C[C@@H]1CCCN1CC
342083722	ZINC000625337325	ref	3.89	-34.18	1	256.39	1.133	2	3	7	CCN1CCC[C@H]1C[N@H+](CC)C[C@](C)(O)C(C)=O
349533270	ZINC000621225596	mid	4.47	-7.75	0	280.334	2.423	1	2	5	C[C@@H]1CCN(CC(=O)NCC(C)(C)CC(F)(F)F)C1
342083723	ZINC000625337325	mid	3.84	-32.52	1	256.39	1.133	2	3	7	CCN1CCC[C@H]1C[N@@H+](CC)C[C@](C)(O)C(C)=O
342598974	ZINC000590822327	ref	3.45	-47.15	-1	291.355	1.04	1	4	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCOC(C)(C)C2)[n-]1
197598269	ZINC000290109040	ref	4.32	-18.03	0	275.268	0.962	1	6	4	Cc1cccc([N+](=O)[O-])c1C(=O)NCc1cnnn1C
365623973	ZINC000354684352	ref	6.68	-39.48	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1
365623974	ZINC000354684352	mid	6.65	-37.2	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)C1
365623976	ZINC000354684352	high	3.82	-9.09	0	281.4	1.289	1	3	3	CO[C@@H]1CCCN(C(=O)N[C@@H]2CN(C3CC3)C[C@@H]2C)C1
365623978	ZINC000354683715	ref	1.58	-13.41	0	273.358	1.037	2	4	6	O=S(=O)(NCCC[C@@H]1CCCCO1)c1c[nH]cn1
290623124	ZINC000492526908	low	7.87	-29.51	1	281.425	2.422	1	3	8	CCn1cc[nH+]c1/C=C\C(=O)NCCSCC(C)C
342598975	ZINC000590822327	mid	2.75	-27.38	0	291.355	1.04	2	4	2	Cn1cc(C#N)c(=NC(=O)NC[C@H]2CCOC(C)(C)C2)[nH]1
365623980	ZINC000354683715	high	1.21	-53.59	-1	273.358	1.037	1	4	6	O=S(=O)([N-]CCC[C@@H]1CCCCO1)c1c[nH]cn1
365623981	ZINC000354682920	ref	3.92	-12.73	0	297.355	1.389	1	4	5	Cc1c(F)cccc1S(=O)(=O)NCCc1ccn(C)n1
282120543	ZINC000533445808	ref	4.62	-12.67	0	297.362	1.451	0	5	2	Cc1ccncc1N1CCN(C(=O)c2ccnnc2C)CC1
282120548	ZINC000533445808	low	5.08	-42.6	1	297.362	1.451	0	4	2	Cc1cc[nH+]cc1N1CCN(C(=O)c2ccnnc2C)CC1
197598275	ZINC000290108322	ref	4.78	-44.44	1	285.409	1.863	1	3	8	CC[C@@H](C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1)OC
282120552	ZINC000533448258	ref	3.17	-40.97	-1	293.392	1.596	0	4	2	C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C[C@H]1C
197598277	ZINC000290108322	high	3.61	-11.03	0	285.409	1.863	1	4	8	CC[C@@H](CN[C@H](C)CS(=O)(=O)c1ccccc1)OC
342598976	ZINC000616986717	ref	6.26	-13.92	0	297.399	1.744	1	3	7	CC[C@@H](C)N(CC)C(=O)CN1C(=O)NC(CC)(CC)C1=O
342598977	ZINC000590822792	ref	1.93	-12.38	0	289.339	1.169	3	5	4	Cc1nn(C)c2ncc(NC(=O)NC[C@H](O)C3CC3)cc12
365623983	ZINC000354682217	ref	1.64	-11.32	0	250.289	1.348	3	2	7	C[C@H](CO)CCCNC(=O)N[C@@H]1C[C@@H]1C(F)F
212170892	ZINC000335493299	ref	6.4	-10.39	0	265.259	2.029	0	2	2	O=C(C1=Cc2cc(F)ccc2OC1)N1CC(CF)C1
212170896	ZINC000335492613	ref	7.66	-11.49	0	290.363	3.16	0	3	3	Cc1nc(C(=O)N2CC(CF)C2)c(-c2ccccc2)s1
212170898	ZINC000335493089	ref	5.79	-9.1	0	254.355	2.169	1	4	3	CCc1onc(C)c1C(=O)N[C@@H]1CS[C@@H](C)C1
212170901	ZINC000335493083	ref	5.5	-18.74	0	290.392	2.039	2	4	3	C[C@@H]1C[C@@H](NC(=O)c2c[nH]cc2-c2cnn(C)c2)CS1
365623985	ZINC000354682616	ref	4.89	-7.12	0	294.326	1.078	1	3	3	C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N(C)Cc1ccc(F)cc1
342598978	ZINC000616986509	ref	7.94	-12.38	0	294.395	1.809	0	3	5	CC[C@H](C)N(CC)C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O
398246823	ZINC000076769115	ref	3.81	-47.01	1	238.356	1.627	2	2	6	CSC[C@H](C)[NH2+]Cc1ccc(C(N)=O)cc1
342598979	ZINC000616990884	ref	6.19	-41.31	1	292.427	1.887	2	3	3	Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
197598278	ZINC000162888295	ref	3.32	-46.91	1	309.406	1.84	2	4	9	CCOc1ccc(OC[C@H](O)C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1
398246825	ZINC000076769115	high	2.61	-8.87	0	238.356	1.627	2	3	6	CSC[C@H](C)NCc1ccc(C(N)=O)cc1
342598980	ZINC000616990884	mid	6.2	-41.81	1	292.427	1.887	2	3	3	Cc1nn(C)c(C)c1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342598981	ZINC000616987235	ref	2.57	-7.61	0	287.146	1.875	2	2	4	NC(=O)C1(C(=O)NCc2cc(Cl)cc(Cl)c2)CC1
365623987	ZINC000354684383	ref	6.27	-37.73	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)C1
365623989	ZINC000354684383	mid	6.32	-39.07	1	281.4	1.289	2	2	3	CO[C@@H]1CCCN(C(=O)N[C@H]2C[N@H+](C3CC3)C[C@@H]2C)C1
365623991	ZINC000354684383	high	3.48	-8.09	0	281.4	1.289	1	3	3	CO[C@@H]1CCCN(C(=O)N[C@H]2CN(C3CC3)C[C@@H]2C)C1
365623993	ZINC000354682215	ref	1.35	-11.67	0	250.289	1.348	3	2	7	C[C@H](CO)CCCNC(=O)N[C@H]1C[C@@H]1C(F)F
365623994	ZINC000354683963	ref	5.06	-12.94	0	269.41	1.84	1	2	3	O=C(N[C@@H]1CC[S@](=O)C1)[C@H]1C[C@H]1C1CCCCC1
398246827	ZINC000335865735	ref	7.02	-10.05	0	223.279	2.586	0	3	1	CC1=CCN(c2c(C#N)cccc2C#N)CC1
365623996	ZINC000354682163	ref	6.15	-14.03	0	278.352	1.624	0	4	5	CC[C@H]1CO[C@@H](C)CN1C(=O)COCc1cccnc1
365638846	ZINC000625083856	ref	5.49	-21.52	0	301.346	2.313	2	4	7	C[C@H](CC(=O)NCCC(=O)Nc1ccccn1)c1ccco1
365638848	ZINC000625087098	ref	3.95	-12.36	0	321.165	2.295	1	2	5	CCNC(=O)CN(C)Cc1ccc(Br)c(F)c1F
365638850	ZINC000625087032	ref	7.64	-14.01	0	306.41	2.297	0	6	4	C[C@@H]1CC[C@H](c2nnc(N3CCCC3)n2C[C@@H]2CCCO2)O1
365638852	ZINC000625087590	ref	7.49	-13.66	0	306.41	2.319	0	6	6	C=CCN(C)c1nnc([C@H]2CC[C@@H](C)O2)n1C[C@H]1CCCO1
365638854	ZINC000625087611	ref	2.57	-13.85	0	320.361	2.192	1	4	7	C[C@H](NS(=O)(=O)c1cccnc1OCC(F)F)C1CCC1
259308784	ZINC000323001067	ref	3.7	-7.19	0	242.363	2.433	2	2	5	CC[C@@](C)(CNC(=O)NC1CCCCC1)OC
365638856	ZINC000625087611	high	2.79	-51.69	-1	320.361	2.192	0	4	7	C[C@H]([N-]S(=O)(=O)c1cccnc1OCC(F)F)C1CCC1
365623988	ZINC000641590990	ref	2.47	-12.29	0	253.342	1.176	1	3	3	COCC1(C(=O)N2C[C@@H]3C[C@]3(O)C2)CCCCC1
365623990	ZINC000641591500	ref	3.75	-18.73	0	271.238	1.97	1	2	2	O=C(c1cccc(C(F)F)c1F)N1C[C@H]2C[C@@]2(O)C1
365623992	ZINC000479734095	ref	2.76	-9.59	0	270.373	1.214	2	3	3	C[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCCCO2)C[C@H]1CO
365623995	ZINC000641591318	ref	3.86	-46.04	1	295.342	1.454	2	3	3	O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@@H]2C[C@]2(O)C1
365623997	ZINC000641591318	mid	3.41	-12.77	0	295.342	1.454	2	4	3	O=C(c1ccc(Nc2ccncc2)cc1)N1C[C@@H]2C[C@]2(O)C1
365623998	ZINC000641591328	ref	3.74	-9.35	0	261.252	1.779	1	3	1	O=C(c1cc2cc(F)ccc2o1)N1C[C@H]2C[C@@]2(O)C1
178293754	ZINC000237028242	ref	5.98	-40.33	1	372.513	1.864	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1
178293757	ZINC000237028242	high	6.06	-13.73	0	372.513	1.864	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@]2(C)CCCCN2)CC1
178293758	ZINC000237023404	ref	7.32	-57.59	-1	351.428	1.857	1	6	7	CCN(CCC(=O)[O-])C(=O)CCc1nc(=O)c2c(C)c(C)sc2[nH]1
178293762	ZINC000237030022	ref	9.31	-61.17	-1	352.818	1.664	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1ccc(Cl)cc1
178293764	ZINC000237018948	ref	8.32	-64.28	-1	361.373	1.702	1	4	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc2cc(F)ccc2[nH]1
178293767	ZINC000237027247	ref	9.65	-61.69	-1	371.437	1.882	1	4	6	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCc1c[nH]c2ccccc12
178293770	ZINC000237033369	ref	5.13	-62.02	1	353.488	1.94	2	3	9	CC[NH2+]Cc1ccccc1NC(=O)CCCS(=O)(=O)N1CCCC1
178293772	ZINC000237039133	ref	4.62	-59.33	1	353.488	1.828	2	3	6	CC[NH2+]CC1CCN(C(=O)c2ccc(C)c(NS(C)(=O)=O)c2)CC1
178293774	ZINC000237031510	ref	6.24	-60.18	1	368.441	1.08	1	5	4	CN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)[C@H]1CCN(c2ccccc2)C1=O
178293778	ZINC000237033851	ref	8.21	-41.62	1	373.497	1.735	2	3	7	CCc1ccccc1OCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
178293780	ZINC000237036855	ref	1.15	-51.19	1	353.467	1.185	1	6	8	CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@H]([NH3+])CC(C)C)CC2)n1
178293783	ZINC000237036855	high	0.81	-13.81	0	353.467	1.185	1	7	8	CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@H](N)CC(C)C)CC2)n1
290623125	ZINC000492527875	ref	6.65	-14.29	0	298.371	2.429	1	5	4	Cc1ccc(/C=C/C(=O)NCc2cn3ccsc3n2)nc1
342598982	ZINC000590837931	ref	4.95	-30.57	0	279.34	1.764	2	3	7	CCN(CC)C(=O)CCCC(=O)Nc1ccc[nH]c1=O
197598284	ZINC000290109013	ref	1.06	-7.6	0	292.335	1.077	3	4	7	C=C[C@H](CO)NC(=O)C(=O)Nc1ccccc1OCCC
342598983	ZINC000590837803	ref	7.33	-54.72	1	283.416	1.236	2	2	7	CCN(CC)C(=O)CCCC(=O)N[C@H]1CCC[N@H+](C)C1
282120549	ZINC000449149767	ref	7.63	-51.09	-1	291.347	2.025	0	4	5	C[C@@H](COc1ccccc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1
282120555	ZINC000449149900	ref	7.99	-85.27	2	295.471	2.001	3	1	8	CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)[NH2+]C2CC2)CC1
342598984	ZINC000590837803	mid	6.79	-51.48	1	283.416	1.236	2	2	7	CCN(CC)C(=O)CCCC(=O)N[C@H]1CCC[N@@H+](C)C1
282120560	ZINC000449149900	high	6.85	-43.19	1	295.471	2.001	3	2	8	CC(C)CC[NH+]1CCC(CNC(=O)[C@H](C)NC2CC2)CC1
282120564	ZINC000449150112	ref	5.26	-36.13	1	292.427	2.15	3	3	8	CC[NH+](CC)[C@H](CNC(=O)c1ccc(N)cn1)CC(C)C
282120568	ZINC000449149800	ref	4.15	-45.91	1	255.333	2.331	2	2	7	CC[C@@H](C)[C@@H](O)C[NH2+]Cc1cc(F)cc(OC)c1
197598294	ZINC000290109048	ref	6.59	-15.01	0	297.351	1.882	0	5	8	COC(=O)Cc1occc1C(=O)N(C)CCCOC(C)C
342598985	ZINC000590837803	high	4.44	-18.86	0	283.416	1.236	1	3	7	CCN(CC)C(=O)CCCC(=O)N[C@H]1CCCN(C)C1
282120572	ZINC000449149800	high	2.73	-4.57	0	255.333	2.331	2	3	7	CC[C@@H](C)[C@@H](O)CNCc1cc(F)cc(OC)c1
342598986	ZINC000590821083	ref	4.24	-12.34	0	289.31	1.843	2	3	4	N#Cc1ccc(CNC(=O)NCC2=CCCOC2)cc1F
342598987	ZINC000590823637	ref	3.84	-10.38	0	290.266	1.911	2	4	6	CCOC(=O)c1ccc(CNC(=O)NCC(C)(F)F)o1
342598988	ZINC000616986304	ref	6.84	-16.39	0	283.372	1.308	0	3	7	CC[C@H](C)N(CC)C(=O)CCCN1C(=O)CN(C)C1=O
342598989	ZINC000590823663	ref	2.58	-18.47	0	290.335	1.878	2	2	5	C[S@](=O)c1ccc(CNC(=O)NCC(C)(F)F)cc1
342598990	ZINC000616987569	ref	1.07	-9.6	0	290.15	1.666	3	2	4	C[C@H](NC(N)=O)C(=O)NCc1cc(Cl)cc(Cl)c1
342598991	ZINC000590822329	ref	5.48	-47.44	-1	263.345	1.66	1	3	2	C[C@H](CC(C)(C)C)NC(=O)N=c1[n-]n(C)cc1C#N
342598992	ZINC000590822329	mid	4.73	-23.79	0	263.345	1.66	2	3	2	C[C@H](CC(C)(C)C)NC(=O)N=c1[nH]n(C)cc1C#N
342598993	ZINC000590822216	ref	6.89	-51.1	-1	299.378	1.614	0	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)[n-]1
212170904	ZINC000335493152	ref	0.63	-8.82	0	266.272	0.712	3	3	2	Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H]2O)c1F
212170906	ZINC000335493128	ref	8.45	-13.96	0	285.322	2.208	0	3	2	O=C(c1cn2c(n1)CCC2)N1CC(c2ccccc2F)C1
178293785	ZINC000237022978	ref	5.91	-52.75	1	369.469	1.65	2	4	6	CCn1cc(NC(=O)C2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cn1
178293787	ZINC000237022978	high	5.58	-19.22	0	369.469	1.65	2	5	6	CCn1cc(NC(=O)C2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)cn1
178293789	ZINC000237031810	ref	4.55	-49.16	-1	363.233	1.608	2	5	6	CC[C@H](NC(=O)[C@H](C)NC(=O)c1ccc(Br)s1)C(=O)[O-]
178293791	ZINC000237021778	ref	6.53	-55.25	1	361.49	1.86	2	4	6	CCn1cc(NC(=O)C2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)cn1
282952236	ZINC000127631450	ref	3.89	-11.04	0	303.362	2.505	1	5	6	COc1ccc(CNC(=O)C[C@H](C)c2c(C)noc2C)cn1
361822950	ZINC000562824862	mid	7.95	-40.61	1	290.411	1.948	2	2	2	C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCC1
178293794	ZINC000237033059	ref	4.45	-42.0	1	352.523	1.295	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1)C1CCCCC1
178293796	ZINC000237033059	high	4.11	-13.72	0	352.523	1.295	1	4	4	CN(C(=O)CN1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1)C1CCCCC1
136228631	ZINC000283276847	ref	6.53	-13.02	0	215.256	1.047	1	2	4	C#CCN(C(=O)C=Cc1c[nH]cn1)C1CC1
178293798	ZINC000237023402	ref	9.39	-58.42	-1	364.417	1.885	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C(C)(C)c1ccccc1F
178293800	ZINC000237028950	ref	3.1	-48.35	1	353.488	1.253	2	3	6	CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1
178293802	ZINC000237028950	high	2.78	-14.92	0	353.488	1.253	2	4	6	CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)[C@H](N)c2ccccc2)CC1
178293806	ZINC000237020394	ref	7.21	-56.36	-1	351.794	1.924	1	7	7	CC[C@H](NC(=O)[C@@H](CC)n1nnc(-c2ccc(Cl)cc2)n1)C(=O)[O-]
361822956	ZINC000562824862	mid	5.95	-9.05	0	290.411	1.948	1	3	2	C[C@@H]1CN2CCCC[C@@H]2CN1C(=O)NCC1(C#N)CCC1
361822963	ZINC000159731002	ref	1.99	-10.96	0	274.361	1.178	3	4	9	CC[C@@H](CCO)NC(=O)NCCCC(=O)OC(C)C
361822980	ZINC000643829375	ref	4.7	-39.35	1	286.416	1.419	2	3	7	CNC(=O)[C@]1(COC)CCC[N@@H+]1CCCOC(C)(C)C
361822984	ZINC000643829375	mid	5.59	-41.64	1	286.416	1.419	2	3	7	CNC(=O)[C@]1(COC)CCC[N@H+]1CCCOC(C)(C)C
361822993	ZINC000643829375	high	3.68	-10.65	0	286.416	1.419	1	4	7	CNC(=O)[C@]1(COC)CCCN1CCCOC(C)(C)C
361822999	ZINC000136386886	ref	5.8	-47.27	1	262.353	1.148	3	2	4	C[C@@H](O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1
361823011	ZINC000136386886	mid	5.26	-46.34	1	262.353	1.148	3	2	4	C[C@@H](O)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1
361823018	ZINC000136386886	mid	3.06	-9.79	0	262.353	1.148	2	3	4	C[C@@H](O)C(=O)N[C@H]1CCCN(Cc2ccccc2)C1
214177150	ZINC000337603436	ref	4.75	-13.68	0	283.393	2.097	1	4	8	CCN(CCOCCO)C(=O)c1sccc1C1CC1
214177155	ZINC000337604755	ref	2.66	-10.89	0	277.755	2.257	2	2	4	O=C(NCCN1CCC1)c1[nH]c2ccccc2c1Cl
342083724	ZINC000625337325	mid	4.14	-32.78	1	256.39	1.133	2	3	7	CCN(C[C@@H]1CCC[N@@H+]1CC)C[C@](C)(O)C(C)=O
342083725	ZINC000625337325	mid	4.98	-29.54	1	256.39	1.133	2	3	7	CCN(C[C@@H]1CCC[N@H+]1CC)C[C@](C)(O)C(C)=O
136228632	ZINC000283276847	low	6.98	-46.34	1	215.256	1.047	1	1	4	C#CCN(C(=O)C=Cc1c[nH]c[nH+]1)C1CC1
136228633	ZINC000283248709	ref	8.53	-10.9	0	245.297	2.553	0	1	1	CC#CC(=O)N1C[C@@H](c2ccc(F)cc2)C[C@@H]1C
365623999	ZINC000641590975	ref	2.88	-15.04	0	277.267	1.974	1	3	1	O=C(c1cscc1C(F)(F)F)N1C[C@@H]2C[C@]2(O)C1
214177157	ZINC000337604755	mid	5.84	-45.73	1	277.755	2.257	3	1	4	O=C(NCC[NH+]1CCC1)c1[nH]c2ccccc2c1Cl
290623127	ZINC000337162665	ref	4.16	-18.43	0	308.382	1.612	3	4	5	CNC(=O)c1c(NC(=O)CO[C@@H]2CCCC[C@H]2C)n[nH]c1C
342083726	ZINC000625337325	high	1.81	-3.91	0	256.39	1.133	1	4	7	CCN(C[C@@H]1CCCN1CC)C[C@](C)(O)C(C)=O
342083727	ZINC000625337072	ref	5.56	-38.82	1	291.399	1.221	2	4	7	CCN(CC(=O)Nc1cnccn1)C[C@H]1CCC[N@@H+]1CC
342083728	ZINC000625337072	mid	4.42	-44.86	1	291.399	1.221	2	4	7	CCN(CC(=O)Nc1cnccn1)C[C@H]1CCC[N@H+]1CC
178293795	ZINC000082787606	ref	4.07	-14.15	0	274.139	2.136	0	3	3	N#CCCS(=O)(=O)c1cccc(Br)c1
290623131	ZINC000282003608	ref	4.68	-17.93	0	322.409	2.144	3	4	5	CNC(=O)c1c(NC(=O)[C@H](C)OC2CCCCCC2)n[nH]c1C
299072429	ZINC000358088143	mid	7.0	-44.8	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C
299072430	ZINC000358088143	high	4.64	-7.75	0	308.47	1.761	1	3	3	CCN1C[C@H](C)N(C(=O)N[C@@H](C)C2=CCN(C)CC2)C[C@@H]1C
214177169	ZINC000337605416	ref	2.59	-17.41	0	290.385	-0.235	1	5	7	CCC(=O)N1CSC[C@H]1C(=O)N(C)CCOCCO
214177173	ZINC000337605746	ref	2.79	-40.33	1	287.404	0.556	4	3	7	C[C@H](C[C@@H]1CCCO1)NC(=O)NC[C@@](C)(O)C[NH+](C)C
214177177	ZINC000337605746	high	0.88	-8.42	0	287.404	0.556	3	4	7	C[C@H](C[C@@H]1CCCO1)NC(=O)NC[C@@](C)(O)CN(C)C
342083729	ZINC000625337072	high	3.6	-11.65	0	291.399	1.221	1	5	7	CCN(CC(=O)Nc1cnccn1)C[C@H]1CCCN1CC
342083730	ZINC000625336872	ref	6.39	-13.73	0	284.359	1.309	1	2	2	CC[C@@H]1C(=O)NCCN1C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21
214177180	ZINC000337603223	ref	-0.46	-14.63	0	285.344	-1.0	1	5	7	CC(=O)CCC(=O)N1CCO[C@@H](CN(C)CC(N)=O)C1
214177181	ZINC000337603223	low	1.81	-43.79	1	285.344	-1.0	2	4	7	CC(=O)CCC(=O)N1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1
342083731	ZINC000625337187	ref	2.29	-16.45	0	299.318	1.658	1	4	6	CCCCS(=O)(=O)NCc1c(C(F)(F)F)cnn1C
342083732	ZINC000625338078	ref	-1.78	-7.06	0	279.262	1.23	1	5	6	CCN(Cc1cncc(OC)n1)C[C@H](O)C(F)(F)F
342083733	ZINC000625338078	low	0.63	-43.04	1	279.262	1.23	2	4	6	CC[N@@H+](Cc1cncc(OC)n1)C[C@H](O)C(F)(F)F
342083734	ZINC000625338078	low	0.74	-44.18	1	279.262	1.23	2	4	6	CC[N@H+](Cc1cncc(OC)n1)C[C@H](O)C(F)(F)F
214177152	ZINC000053354874	ref	4.55	-17.16	0	334.372	1.487	2	5	7	COC(=O)CNC(=O)c1cccc(NC(=O)CC[C@@H]2CCCO2)c1
342083735	ZINC000046673147	ref	6.65	-11.28	0	273.336	1.845	0	4	2	C[C@@H]1CN(C(=O)[C@@H](C)n2cnc3ccccc32)CCO1
214177158	ZINC000053347310	ref	6.23	-11.15	0	332.4	3.096	1	5	7	COc1ccc(OC)c(CCNC(=O)c2c(C)noc2C(C)C)c1
214177164	ZINC000053329423	ref	7.06	-14.39	0	327.157	2.057	1	4	4	C[C@H](C(=O)NCc1ccc(F)cc1Br)n1cncn1
290623128	ZINC000492528087	ref	7.97	-8.75	0	261.369	2.469	1	3	6	CCn1ccnc1/C=C/C(=O)NCC1(C(C)C)CC1
185090350	ZINC000096075385	ref	6.98	-38.28	1	293.436	2.428	1	3	2	CC(=O)N1CCC2(CCC[N@@H+]2Cc2csc(C)n2)CC1
185090351	ZINC000096075385	mid	6.66	-40.18	1	293.436	2.428	1	3	2	CC(=O)N1CCC2(CCC[N@H+]2Cc2csc(C)n2)CC1
185090352	ZINC000096075385	mid	4.54	-10.03	0	293.436	2.428	0	4	2	CC(=O)N1CCC2(CCCN2Cc2csc(C)n2)CC1
214177175	ZINC000053326337	ref	2.7	-21.06	0	338.198	1.637	1	3	4	C[C@@H](C(=O)NCc1ccc(F)cc1Br)S(C)(=O)=O
342088548	ZINC000121410508	low	7.17	-40.07	1	275.356	1.245	1	4	6	CC(C)Cn1cc(C(=O)NCCc2c[nH+]cn2C)cn1
342088549	ZINC000121466317	ref	3.74	-19.89	0	263.272	1.237	2	4	4	Cn1cncc1CCNC(=O)c1ccc(O)cc1F
342088550	ZINC000121466317	mid	4.51	-48.98	-1	263.272	1.237	1	4	4	Cn1cncc1CCNC(=O)c1ccc([O-])cc1F
178293816	ZINC000082788575	ref	6.08	-6.66	0	258.065	3.584	0	1	0	Cc1cc(Br)nc2c(F)cc(F)cc12
214177178	ZINC000053326337	high	2.7	-21.07	0	338.198	1.637	1	3	4	CC(C(=O)NCc1ccc(F)cc1Br)S(C)(=O)=O
214177182	ZINC000053324818	ref	2.63	-8.86	0	328.212	2.328	2	2	3	C[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(N)=O
342088551	ZINC000121466317	low	4.25	-45.16	1	263.272	1.237	2	3	4	Cn1c[nH+]cc1CCNC(=O)c1ccc(O)cc1F
342088552	ZINC000121473062	ref	3.99	-17.73	0	293.367	1.507	2	3	4	CC(C)c1cc(C(=O)NC(C)(C)C(=O)N(C)C)cc(=O)[nH]1
342088553	ZINC000121502558	ref	6.65	-41.01	1	290.411	1.751	1	3	3	CCc1nccn1[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1
178293824	ZINC000082787824	ref	4.84	-13.99	0	258.14	2.469	0	2	2	C[C@@H](C#N)[S@@](=O)c1cccc(Br)c1
178293807	ZINC000237036416	ref	3.74	-52.68	1	354.52	1.74	1	5	8	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H](C)C[NH2+]C)CC2)cs1
178293809	ZINC000237038710	ref	5.76	-57.87	1	365.499	1.73	2	3	6	CCN(CC)S(=O)(=O)c1cccc(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
178293812	ZINC000237039197	ref	1.8	-9.01	0	370.544	1.547	1	7	6	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CSCN3)CC2)cs1
178293814	ZINC000237039197	mid	3.11	-43.1	1	370.544	1.547	1	6	6	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@H]3CSC[NH2+]3)CC2)cs1
178293815	ZINC000237032210	ref	8.45	-43.18	1	367.902	1.999	1	3	4	CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CCN(c2ccccc2Cl)C1=O
178293817	ZINC000237032210	high	7.21	-15.99	0	367.902	1.999	1	4	4	CN(C(=O)C[C@@H]1CSCCN1)[C@H]1CCN(c2ccccc2Cl)C1=O
290623129	ZINC000000114947	ref	8.08	-9.72	0	268.36	3.198	1	1	0	C[C@H]1CC[C@@]2(C)c3[nH]c4ccccc4c3CCN2C1=O
343994489	ZINC000599271383	low	6.41	-40.52	1	298.408	1.022	2	5	6	CCOC(=O)[C@H]1CSCC[N@H+]1C[C@H](O)CC1(C#N)CC1
365624000	ZINC000641590872	ref	4.04	-14.46	0	274.295	1.443	2	2	2	O=C(Cc1c[nH]c2ccc(F)cc12)N1C[C@H]2C[C@@]2(O)C1
365624001	ZINC000641591385	ref	5.19	-11.54	0	263.312	1.913	1	2	3	C[C@H](CC(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccccc1F
365624002	ZINC000641591047	ref	4.33	-9.98	0	259.296	1.795	1	2	2	O=C(CC1CCC(F)(F)CC1)N1C[C@H]2C[C@@]2(O)C1
178293819	ZINC000237034602	ref	4.5	-50.58	1	350.507	1.049	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1)C1CCCCC1
178293821	ZINC000237020545	ref	5.38	-48.04	1	366.893	1.478	2	3	6	CC[C@H](C)[C@H]([NH3+])C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
365624003	ZINC000641591294	ref	3.27	-9.51	0	276.336	1.466	1	4	2	CC(C)(C)Oc1cccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)n1
178293823	ZINC000237020545	high	5.05	-9.6	0	366.893	1.478	2	4	6	CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
178293825	ZINC000237039367	ref	8.24	-60.9	-1	363.389	1.677	2	4	8	CCN(CCC(=O)[O-])C(=O)[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O
178293826	ZINC000237032505	ref	5.46	-41.63	1	364.515	1.355	2	4	6	CCc1nc(CC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cs1
178293827	ZINC000237020779	ref	3.99	-51.61	-1	351.428	1.304	1	6	7	CN(C)C[C@@H](NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1
178293828	ZINC000237020779	mid	6.54	-69.64	0	351.428	1.304	2	5	7	Cn1cc(S(=O)(=O)N[C@H](C[NH+](C)C)c2ccccc2)cc1C(=O)[O-]
323004226	ZINC000561573159	ref	7.5	-6.76	0	225.376	3.508	1	1	5	C[C@H]1CC[C@H]1NC(=O)CCCCC(C)(C)C
197598286	ZINC000162887296	ref	10.42	-16.3	0	301.394	2.474	0	5	3	Cc1ccnc2nc(C(=O)N3CCCC[C@@H]3CC(C)C)nn12
295666596	ZINC000095967031	ref	2.34	-40.98	1	300.424	0.6	2	3	3	O=C(NC[C@@H]1CCCS1(=O)=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1
365624004	ZINC000479733709	ref	2.2	-6.82	0	286.416	1.896	3	3	6	CO[C@H]1CCC[C@@H]1CNC(=O)N[C@@H](C(C)C)C(C)(C)O
365624005	ZINC000479728154	ref	1.47	-9.99	0	253.302	1.524	1	5	4	COCc1nc(C(=O)N[C@@H]2CC[C@@H](C)CC2)no1
365624006	ZINC000641591248	ref	5.94	-39.9	1	276.384	1.613	3	4	6	OC[C@H](C[NH+]1CCCCC1)Nc1cc(C2CC2)ncn1
210256260	ZINC000428357952	ref	0.59	-64.64	1	327.768	0.386	2	4	5	COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)cc(Cl)c1OCC(N)=O
365624007	ZINC000641591248	high	3.63	-6.71	0	276.384	1.613	2	5	6	OC[C@H](CN1CCCCC1)Nc1cc(C2CC2)ncn1
365624008	ZINC000641591499	ref	3.74	-17.87	0	271.238	1.97	1	2	2	O=C(c1cccc(C(F)F)c1F)N1C[C@@H]2C[C@]2(O)C1
365624009	ZINC000641591157	ref	3.2	-10.59	0	294.782	1.536	1	3	3	CN(C)[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccc(Cl)cc1
365624010	ZINC000641591157	mid	5.38	-42.07	1	294.782	1.536	2	2	3	C[NH+](C)[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)c1ccc(Cl)cc1
365624011	ZINC000641591120	ref	5.0	-14.69	0	261.321	1.105	1	3	4	Cc1cccc(COCC(=O)N2C[C@@H]3C[C@]3(O)C2)c1
365624012	ZINC000641591315	ref	3.87	-47.3	1	295.342	1.454	2	3	3	O=C(c1ccc(Nc2cc[nH+]cc2)cc1)N1C[C@H]2C[C@@]2(O)C1
346818959	ZINC000067777836	ref	9.76	-42.34	1	274.408	2.805	1	1	4	CCCc1ccc(C(=O)N(C)C2CC[NH+](C)CC2)cc1
365624013	ZINC000641591315	mid	3.41	-13.25	0	295.342	1.454	2	4	3	O=C(c1ccc(Nc2ccncc2)cc1)N1C[C@H]2C[C@@]2(O)C1
365624014	ZINC000641591229	ref	2.95	-14.29	0	277.267	1.974	1	3	1	O=C(c1ccsc1C(F)(F)F)N1C[C@H]2C[C@@]2(O)C1
365624015	ZINC000641590994	ref	5.34	-13.48	0	287.359	1.782	1	3	4	COc1ccc([C@@H]2C[C@H]2CC(=O)N2C[C@@H]3C[C@]3(O)C2)cc1
282120550	ZINC000341630179	ref	4.37	-11.22	0	348.451	-0.182	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(CC(C)C)CC1)CC2
282120563	ZINC000341630179	mid	6.3	-46.37	1	348.451	-0.182	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[NH+](CC(C)C)CC1)CC2
343994491	ZINC000139408258	high	0.43	-44.85	-1	171.152	-1.135	1	4	2	CCOC(=O)C1=C([O-])CNC1=O
365624016	ZINC000641591045	ref	4.32	-10.29	0	259.296	1.795	1	2	2	O=C(CC1CCC(F)(F)CC1)N1C[C@@H]2C[C@]2(O)C1
343994493	ZINC000139408258	high	0.93	-11.71	0	171.152	-1.135	1	4	2	CCOC(=O)C1C(=O)CNC1=O
365638853	ZINC000274368365	ref	0.3	-12.32	0	262.269	1.099	3	5	4	C[C@@](O)(CNC(=O)Nc1cncnc1)c1ccco1
214177176	ZINC000293481512	ref	5.79	-8.64	0	359.43	0.899	1	6	3	CN(C)c1ncncc1NC(=O)C(=O)N1CC2(CCOCC2)[C@@H]1C1CC1
365624017	ZINC000625040783	ref	7.47	-25.1	0	319.38	2.12	1	2	4	CN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365624018	ZINC000625038544	ref	7.06	-11.93	0	320.437	2.366	0	4	1	Cc1cc(C)n([C@@H]2CCCN(C(=O)N3C[C@H](C)O[C@H](C)C3)C2)n1
365624019	ZINC000625040403	ref	6.25	-18.0	0	307.438	2.264	2	2	3	C[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)C[C@H]1C
365624020	ZINC000625038826	ref	4.47	-10.93	0	319.467	2.022	0	4	6	CCOC1(CS(=O)(=O)N2C[C@H](C)C[C@@H]2CC)CCOCC1
214177183	ZINC000293477840	ref	-0.51	-15.4	0	351.403	0.659	4	5	6	CC[C@H](NC(=O)C(=O)Nc1cc(C(=O)NC)ccc1OC)C(C)(C)O
349533272	ZINC000594965190	ref	8.6	-39.97	1	275.371	2.66	1	2	4	CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1
185090353	ZINC000096075957	ref	7.5	-40.35	1	288.391	1.552	1	2	5	COCC[N@@H+]1CC[C@@]12CCN(C(=O)Cc1ccccc1)C2
178293829	ZINC000237030324	ref	9.3	-62.96	-1	352.818	1.664	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1cccc(Cl)c1
178293830	ZINC000237020513	ref	3.02	-49.11	1	365.249	1.124	2	4	7	CC[NH2+]CCNS(=O)(=O)c1ccc(C(=O)OC)cc1Br
365624021	ZINC000625040782	ref	7.48	-21.71	0	319.38	2.12	1	2	4	CN(Cc1cccc(F)c1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365624022	ZINC000625040829	ref	5.55	-10.53	0	320.418	2.076	0	5	3	C[C@@H]1CC[C@@H](C)N(S(=O)(=O)c2cnnn2-c2ccccc2)C1
178293831	ZINC000237020513	high	2.64	-37.7	0	365.249	1.124	1	4	7	CC[NH2+]CC[N-]S(=O)(=O)c1ccc(C(=O)OC)cc1Br
365624024	ZINC000625040619	ref	6.62	-12.99	0	300.402	2.226	1	2	3	Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)C1
365624025	ZINC000625039967	ref	6.17	-26.8	0	316.357	2.027	1	4	3	COc1cc(OC)c2c(=O)c(C(=O)N3CC[C@@H](C)C3)c[nH]c2c1
365624027	ZINC000625039967	mid	5.74	-48.77	-1	316.357	2.027	0	4	3	COc1cc(OC)c2c(=O)c(C(=O)N3CC[C@@H](C)C3)c[n-]c2c1
365624028	ZINC000625039965	ref	6.18	-26.52	0	316.357	2.027	1	4	3	COc1cc(OC)c2c(=O)c(C(=O)N3CC[C@H](C)C3)c[nH]c2c1
290623130	ZINC000492528087	low	8.34	-34.65	1	261.369	2.469	1	2	6	CCn1cc[nH+]c1/C=C/C(=O)NCC1(C(C)C)CC1
290623132	ZINC000492528225	ref	6.84	-18.47	0	256.305	2.03	1	2	3	O=C(/C=C\C1CCC1)NN1Cc2ccccc2C1=O
178293833	ZINC000237026171	ref	4.5	-52.2	1	358.486	1.603	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)C2([NH3+])CCCC2)CC1
365624023	ZINC000336544061	ref	5.59	-14.1	0	295.364	2.165	1	4	3	C[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)[C@@H](c2ccco2)C1
178293832	ZINC000000287826	ref	5.92	-19.32	0	201.225	1.957	1	2	1	Cc1cc2cc(C=O)c(=O)[nH]c2cc1C
178293834	ZINC000095922465	ref	7.73	-10.34	0	200.285	3.16	0	2	0	Cc1cc2c3c(c1)nc(C)n3[C@@H](C)CC2
178293837	ZINC000095922465	mid	8.16	-24.68	1	200.285	3.16	0	1	0	Cc1cc2c3c(c1)[nH+]c(C)n3[C@@H](C)CC2
398246824	ZINC000651455038	ref	5.22	-9.35	0	264.398	3.08	1	5	5	CCn1ccnc1[C@H](C)N[C@@H](C)c1cnc(C)s1
178293841	ZINC000032099529	ref	7.54	-142.36	-2	245.234	2.248	0	5	2	Cc1cc2cc(C(=O)[O-])c(C(=O)[O-])nc2cc1C
365624026	ZINC000336544412	ref	5.81	-8.52	0	295.404	2.467	0	4	1	Cc1ccc(C(=O)N2C[C@H](C)O[C@]3(CCCOC3)C2)s1
178293844	ZINC000354876480	ref	1.17	-15.92	0	242.242	1.242	3	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1cn[nH]n1
214177184	ZINC000278475350	ref	7.29	-11.17	0	320.359	3.1	1	3	5	CCN(C(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F)[C@H](C)C(C)C
178293848	ZINC000354876480	high	1.07	-47.27	-1	242.242	1.242	2	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1cnn[n-]1
178293849	ZINC000354876480	high	0.99	-47.11	-1	242.242	1.242	2	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1c[n-]nn1
214177187	ZINC000278474116	ref	5.57	-14.96	0	315.348	2.608	0	4	3	Cc1cccnc1C(=O)N1CCC[C@@H](Oc2ncccc2F)C1
282120553	ZINC000248954742	ref	1.93	-11.25	0	305.403	1.787	1	6	4	C[C@H]1CN(Cc2nnc(-c3ccccc3)s2)C[C@@H](CO)O1
282120556	ZINC000248957717	ref	4.82	-33.83	1	300.443	1.089	3	3	8	C[C@@H](O)C[N@H+](CC(=O)N(C)CC1CCCCC1)[C@H](C)CO
342598994	ZINC000590822216	mid	6.31	-28.93	0	299.378	1.614	1	3	0	Cn1cc(C#N)c(=NC(=O)N2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)[nH]1
185090354	ZINC000096075957	mid	7.57	-43.7	1	288.391	1.552	1	2	5	COCC[N@H+]1CC[C@@]12CCN(C(=O)Cc1ccccc1)C2
185090355	ZINC000096075957	mid	4.45	-10.21	0	288.391	1.552	0	3	5	COCCN1CC[C@@]12CCN(C(=O)Cc1ccccc1)C2
178293851	ZINC000354876480	high	1.15	-47.54	-1	242.242	1.242	2	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1cn[n-]n1
199273200	ZINC000294964117	ref	7.54	-40.95	1	295.379	1.93	1	4	9	COC(=O)COC[C@@H](C)[NH2+]C[C@H](C)Oc1cccc(C)c1
178293853	ZINC000285482632	ref	7.76	-38.37	1	228.339	3.364	2	0	4	Cc1cc2cc(C[NH2+][C@H](C)C3CC3)ccc2[nH]1
178293856	ZINC000353128474	ref	6.78	-40.05	1	239.322	3.094	3	0	4	Cc1cc2cc(C[NH2+]Cc3cc[nH]c3)ccc2[nH]1
178293861	ZINC000353128474	high	5.42	-7.3	0	239.322	3.094	3	1	4	Cc1cc2cc(CNCc3cc[nH]c3)ccc2[nH]1
365624029	ZINC000625039965	mid	5.74	-48.53	-1	316.357	2.027	0	4	3	COc1cc(OC)c2c(=O)c(C(=O)N3CC[C@H](C)C3)c[n-]c2c1
282120554	ZINC000423040774	mid	6.24	-116.67	2	256.39	1.696	2	2	7	CCC(CC)(C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1)C(=O)OC
282120559	ZINC000354984042	ref	6.27	-37.63	1	257.374	2.123	1	3	7	CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCCO1)C(=O)OC
282120570	ZINC000423030367	ref	4.13	-42.89	1	286.416	1.322	2	4	8	CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1COCCN1)C(=O)OC
365624031	ZINC000625041057	ref	5.59	-12.31	0	321.402	2.013	0	5	2	Cc1ccc2c(c1)N(S(=O)(=O)c1cnc(C)n1C)C[C@@H](C)O2
282120582	ZINC000423030367	mid	5.42	-122.73	2	286.416	1.322	2	3	8	CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1)C(=O)OC
214177185	ZINC000337603223	low	1.82	-45.12	1	285.344	-1.0	2	4	7	CC(=O)CCC(=O)N1CCO[C@@H](C[N@H+](C)CC(N)=O)C1
282120590	ZINC000183878106	ref	4.02	-55.99	1	342.461	1.964	2	4	8	CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC
365624033	ZINC000625040662	ref	4.95	-13.48	0	315.41	2.101	1	3	7	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC(C)C1
365624036	ZINC000625040930	ref	7.36	-18.47	0	307.438	2.217	1	2	2	C[C@@H]1CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC(C)(C)C1
365624037	ZINC000625040751	ref	5.44	-17.51	0	321.808	2.293	2	2	4	O=C(NCc1ccccc1Cl)N[C@H]1CCN(C2CCC2)C1=O
214177186	ZINC000337605329	ref	5.65	-8.8	0	293.382	3.19	2	2	4	CC(C)[C@@H](NC(=O)C1CCC(O)CC1)c1ccc(F)cc1
214177190	ZINC000337603777	ref	8.35	-9.92	0	287.359	3.486	0	3	4	COc1c(C)cc(CN(C)C(=O)c2occc2C)cc1C
214177193	ZINC000337604043	ref	4.38	-37.86	1	274.368	0.649	2	3	2	C[N@@H+]1CCC[C@H]1C(=O)N1CCN[C@@H](c2cccnc2)C1
342083736	ZINC000625339574	ref	5.98	-9.74	0	268.43	1.965	1	4	5	CCC1(CC)C[N@H+](CCc2cn(C)nn2)CCS1
365624039	ZINC000625040847	ref	5.79	-10.94	0	319.327	2.321	1	4	5	COCC[C@H](C)NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21
178293835	ZINC000237026171	high	4.66	-14.04	0	358.486	1.603	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)C2(N)CCCC2)CC1
349535913	ZINC000093289726	ref	2.28	-42.89	1	254.355	0.472	2	3	4	CN(CCc1cccs1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1
185090356	ZINC000096076575	ref	4.12	-39.62	1	292.339	-0.35	1	5	1	C[N@@H+]1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1
214177196	ZINC000337604043	mid	4.16	-40.06	1	274.368	0.649	2	3	2	C[N@H+]1CCC[C@H]1C(=O)N1CCN[C@@H](c2cccnc2)C1
282952238	ZINC000417087465	high	3.08	-38.3	1	286.464	1.779	3	2	10	CCCC[C@H](C[NH3+])NC(=O)N[C@@H](CC(C)C)CN(C)C
342083737	ZINC000625339574	mid	7.71	-43.44	1	268.43	1.965	1	4	5	CCC1(CC)C[N@@H+](CCc2cn(C)nn2)CCS1
214177188	ZINC000293487319	ref	2.27	-20.21	0	372.512	0.985	0	6	7	COC[C@@H]1CCN1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
214177192	ZINC000293478256	ref	2.51	-23.9	0	371.441	0.728	3	6	8	CN(C)c1ccc(C2(C(=O)Nc3cnn(CC(=O)NCCO)c3)CC2)cc1
214177202	ZINC000293480547	ref	1.4	-19.57	0	365.434	0.422	3	6	9	CCC(CC)(CNC(=O)C(=O)Nc1cnn(CC(=O)NC2CC2)c1)OC
197598307	ZINC000162880190	ref	7.02	-15.04	0	316.279	2.427	1	3	5	O=C(NOCCC(F)(F)F)c1ccc(N2CCCC2=O)cc1
342083738	ZINC000625339574	high	5.98	-9.74	0	268.43	1.965	0	5	5	CCC1(CC)CN(CCc2cn(C)nn2)CCS1
214177214	ZINC000293481039	ref	1.17	-47.58	1	373.475	0.587	3	5	9	CC[N@H+](CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO
214177217	ZINC000293481039	mid	1.22	-44.96	1	373.475	0.587	3	5	9	CC[N@@H+](CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO
290623133	ZINC000072420322	ref	3.67	-15.02	0	340.391	0.626	2	7	2	CNC(=O)c1[nH]nc2c1CN(c1nc(C)nc3c1c(C)nn3C)CC2
214177221	ZINC000293481039	mid	-0.52	-20.37	0	373.475	0.587	2	6	9	CCN(CC(=O)Nc1ccc(OC)c(S(=O)(=O)N(C)C)c1)[C@@H](C)CO
214177224	ZINC000293478309	ref	8.5	-34.38	0	368.397	0.515	1	7	6	Cn1cnnc1COCC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O
185090357	ZINC000096076575	mid	4.25	-38.89	1	292.339	-0.35	1	5	1	C[N@H+]1CCOC[C@]2(CN(C(=O)c3cnccn3)CCO2)C1
214177229	ZINC000293477601	ref	3.6	-11.45	0	356.43	0.372	1	6	6	CCn1nncc1C(=O)NCC(=O)N1CCN(Cc2ccccc2)CC1
214177234	ZINC000293477601	mid	5.82	-52.79	1	356.43	0.372	2	5	6	CCn1nncc1C(=O)NCC(=O)N1CC[NH+](Cc2ccccc2)CC1
185090358	ZINC000096076575	high	2.42	-9.61	0	292.339	-0.35	0	6	1	CN1CCOC[C@@]2(C1)CN(C(=O)c1cnccn1)CCO2
185090359	ZINC000096075168	ref	4.64	-13.17	0	280.397	1.671	1	5	2	CNC(=O)[C@@H]1CCC2(CCN(c3nncs3)CC2)C1
342083739	ZINC000625338563	ref	4.45	-22.49	0	288.347	1.131	2	3	3	Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)CC2
342083740	ZINC000625338935	ref	2.01	-42.54	1	280.372	1.22	1	5	5	COc1cncc(CN(C)[C@H](C)C(=O)NC(C)(C)C)n1
342083741	ZINC000625338935	low	2.64	-37.57	1	280.372	1.22	2	4	5	COc1cncc(C[N@H+](C)[C@H](C)C(=O)NC(C)(C)C)n1
342083742	ZINC000625338935	low	2.64	-37.57	1	280.372	1.22	2	4	5	COc1cncc(C[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C)n1
342083743	ZINC000625339760	ref	1.58	-16.2	0	276.383	1.132	1	5	5	O=S(=O)(C[C@H]1CCCCO1)NCc1ccns1
398246826	ZINC000651455038	low	6.3	-38.15	1	264.398	3.08	1	4	5	CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1cnc(C)s1
290623134	ZINC000492526815	ref	7.32	-15.45	0	277.32	2.253	1	4	5	C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)NO[C@H]2CCOC2)o1
214177189	ZINC000053327344	ref	3.16	-10.12	0	328.796	2.131	2	4	8	CCCOc1c(Cl)cc(C(=O)N[C@H](C)C(N)=O)cc1OCC
199273201	ZINC000181265745	ref	8.29	-9.84	0	311.422	2.526	0	4	4	CC[C@@H]1C[C@@H](C(=O)N(C)C2(C(=O)OC)CCCCC2)CCO1
361822955	ZINC000439609546	ref	2.6	-9.72	0	253.277	1.935	2	3	7	C=CCCOCCNC(=O)Nc1cncc(F)c1
178293836	ZINC000237032468	ref	5.44	-41.5	1	364.515	1.355	2	4	6	CCc1nc(CC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cs1
178293838	ZINC000237025427	ref	9.5	-61.6	-1	362.47	1.984	0	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C12CC3CC(CC(C3)C1)C2
178293840	ZINC000237033235	ref	4.37	-51.58	1	350.507	1.193	1	3	4	CN(C(=O)CN1CCN(C(=O)C2([NH3+])CCCC2)CC1)C1CCCCC1
214177195	ZINC000053327891	ref	5.86	-9.03	0	326.169	2.491	1	3	5	O=C(CCn1cccn1)NCc1ccc(F)cc1Br
178293842	ZINC000237033235	high	4.56	-13.53	0	350.507	1.193	1	4	4	CN(C(=O)CN1CCN(C(=O)C2(N)CCCC2)CC1)C1CCCCC1
361822968	ZINC000629301471	ref	4.36	-60.91	-1	261.343	1.102	1	4	5	CC(C)C1(S(=O)(=O)NC2(C(=O)[O-])CCC2)CC1
361822974	ZINC000629300272	ref	3.17	-43.37	-1	282.325	1.395	0	6	4	Cc1ncc(S(=O)(=O)[N-]c2cnoc2C2CC2)n1C
361822982	ZINC000629300272	low	2.84	-12.45	0	282.325	1.395	1	6	4	Cc1ncc(S(=O)(=O)Nc2cnoc2C2CC2)n1C
361822983	ZINC000634170322	ref	4.18	-10.22	0	267.369	1.419	1	3	3	CC(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@H](O)C[C@@H]1C1CC1
361822992	ZINC000439601859	ref	2.93	-6.37	0	251.305	1.132	0	4	2	Fc1cccnc1N1CC[C@@H](N2CCOCC2)C1
361823005	ZINC000439601859	low	5.12	-36.6	1	251.305	1.132	1	3	2	Fc1cccnc1N1CC[C@@H]([NH+]2CCOCC2)C1
361823012	ZINC000629301587	ref	5.22	-59.03	-1	291.413	1.841	1	4	8	CC(C)C[C@H](CNS(=O)(=O)C1(C(C)C)CC1)C(=O)[O-]
361823017	ZINC000448618695	ref	4.74	-16.17	0	252.358	1.535	1	2	2	C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C(N)=O)CC[C@H]1C
361823023	ZINC000629300438	ref	6.1	-40.3	-1	291.413	1.936	0	4	7	CCN([C@@H](C(=O)[O-])C(C)C)S(=O)(=O)C1(C(C)C)CC1
361823028	ZINC000629299140	ref	1.19	-39.81	-1	287.37	1.196	0	7	4	CC(C)c1scnc1[N-]S(=O)(=O)c1cnnn1C
361823038	ZINC000439592877	ref	0.79	-17.83	0	297.399	1.289	3	3	4	C[C@@H](CC(N)=O)NC(=O)NC1CCC2(CCOCC2)CC1
361823050	ZINC000439621320	ref	2.43	-22.58	0	289.332	1.117	1	4	4	C[C@H](CS(C)(=O)=O)N(C)C(=O)Nc1cncc(F)c1
365624030	ZINC000617388565	ref	5.5	-12.17	0	278.356	0.775	0	5	4	Cn1cc(CCC(=O)N2CCO[C@](C)(C3CC3)C2)nn1
185090360	ZINC000096078374	ref	4.33	-9.74	0	280.397	1.773	0	6	2	CN(C)C1=NOC2(CCN(Cc3nccs3)CC2)C1
343994492	ZINC000079940889	ref	5.42	-11.59	0	285.347	2.47	2	3	3	COc1ccc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)c(C)c1
349533275	ZINC000594965190	mid	6.81	-40.1	1	275.371	2.66	2	2	4	CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccc(C#N)c(F)c1
365624035	ZINC000617389823	ref	4.33	-18.66	0	287.381	0.591	0	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO1
365624038	ZINC000617390236	ref	3.38	-14.49	0	266.341	0.525	1	3	3	C[C@]1(C2CC2)CN(C(=O)[C@H]2CC[C@H]2C(N)=O)CCO1
365624042	ZINC000617388955	ref	4.04	-9.43	0	257.33	0.675	0	4	5	COC[C@H](OC)C(=O)N1CCO[C@@](C)(C2CC2)C1
365624045	ZINC000617388486	ref	5.18	-12.58	0	287.323	0.765	0	6	2	C[C@]1(C2CC2)CN(C(=O)c2ccn3nnnc3c2)CCO1
185090361	ZINC000096078374	mid	6.59	-38.04	1	280.397	1.773	1	5	2	CN(C)C1=NOC2(CC[NH+](Cc3nccs3)CC2)C1
185090362	ZINC000096078374	low	6.52	-87.72	2	280.397	1.773	2	4	2	CN(C)C1=[NH+]OC2(CC[NH+](Cc3nccs3)CC2)C1
342083744	ZINC000625339760	high	1.18	-43.12	-1	276.383	1.132	0	5	5	O=S(=O)(C[C@H]1CCCCO1)[N-]Cc1ccns1
365624049	ZINC000617389604	ref	5.71	-14.59	0	263.341	0.99	0	4	3	Cn1ccc(CC(=O)N2CCO[C@@](C)(C3CC3)C2)n1
365624054	ZINC000617390057	ref	4.76	-8.99	0	290.367	0.937	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CCO1
365624058	ZINC000617390057	mid	4.81	-12.04	0	290.367	0.937	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CCO1
365624062	ZINC000617390057	mid	4.81	-12.11	0	290.367	0.937	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCO1
282120557	ZINC000533448258	mid	3.06	-11.07	0	293.392	1.596	1	4	2	C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)C[C@H]1C
185090363	ZINC000096075962	ref	6.24	-41.97	1	266.385	1.5	1	2	4	COCC[N@@H+]1CC[C@]12CCN(C(=O)C1CCCC1)C2
197598322	ZINC000290109366	ref	-0.63	-13.45	0	279.387	0.576	1	5	7	CCN(C)S(=O)(=O)NCc1csc(COC)n1
342083745	ZINC000625338403	ref	2.29	-11.23	0	293.429	1.538	1	4	10	CCC[C@@H](CNS(=O)(=O)CC[C@@H]1CCOC1)OCC
342083746	ZINC000625339194	ref	3.21	-12.09	0	293.339	1.332	0	4	2	C[C@@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@@H](C)C1(F)F
342083747	ZINC000625338730	ref	1.59	-14.86	0	283.275	1.021	1	4	4	Cn1ncc(C(F)(F)F)c1CNS(=O)(=O)C1CC1
342083748	ZINC000600312180	ref	5.98	-17.2	0	297.33	1.77	1	5	5	COC(=O)C1CCC(C(=O)Nc2cnn(CCF)c2)CC1
178293843	ZINC000237025337	ref	9.75	-64.18	-1	362.401	1.639	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)C1(c2ccccc2F)CC1
178293845	ZINC000237028758	ref	10.78	-60.18	-1	371.437	1.813	0	5	6	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCn1ccc2ccccc21
365624032	ZINC000336544478	ref	4.85	-21.56	0	291.738	2.435	2	3	2	Cc1cc(NC(=O)c2cc(C)c(Cl)cc2C)[nH]c(=O)n1
365624034	ZINC000336543522	ref	6.87	-7.86	0	251.37	2.452	0	2	1	CC1(C)CCCCN(C(=O)[C@@H]2C[C@]23CCOC3)C1
282120561	ZINC000533448258	low	5.53	-47.39	1	293.392	1.596	2	3	2	C[C@@H]1C[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@H]1C
282120566	ZINC000533448386	ref	5.36	-47.37	0	288.351	1.025	1	4	2	O=c1cc(C[N@@H+]2CCC3(CCOCC3)C2)nc2cc[n-]n12
282120571	ZINC000533448386	mid	5.72	-47.68	0	288.351	1.025	1	4	2	O=c1cc(C[N@H+]2CCC3(CCOCC3)C2)nc2cc[n-]n12
178293846	ZINC000237018287	ref	8.62	-63.87	-1	350.44	1.632	0	5	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc2c(s1)CCC2
178293847	ZINC000237033890	ref	8.19	-41.63	1	373.497	1.735	2	3	7	CCc1ccccc1OCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178293850	ZINC000237039100	ref	6.71	-58.76	-1	351.794	1.609	1	7	7	CC[C@@H](C)[C@@H](NC(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)C(=O)[O-]
178293852	ZINC000237029521	ref	9.3	-64.66	-1	371.437	1.8	1	4	5	Cc1cccc2[nH]cc(CC(=O)N(C)CC(=O)N3CCC[C@H](C(=O)[O-])C3)c12
178293854	ZINC000237021841	ref	4.15	-47.77	1	360.277	1.532	1	3	4	CN(CC(=O)N1CCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)s1
168365342	ZINC000368502998	ref	3.63	-8.41	0	344.411	3.143	3	4	5	Cc1cc(C)c2c(c1)[C@@H](NC(=O)N[C@@H](CCO)c1ccco1)CCO2
214177198	ZINC000337604043	low	5.48	-102.49	2	274.368	0.649	2	2	2	C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1
214177199	ZINC000337604043	low	5.28	-107.48	2	274.368	0.649	2	2	2	C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@@H](c2cccnc2)C1
214177201	ZINC000337604043	high	2.15	-11.1	0	274.368	0.649	1	4	2	CN1CCC[C@H]1C(=O)N1CCN[C@@H](c2cccnc2)C1
214177203	ZINC000337603201	ref	0.47	-9.25	0	296.323	0.101	2	5	7	COc1ccccc1NC(=O)C(=O)N(C)CCOCCO
214177206	ZINC000337603846	ref	8.15	-40.18	1	279.428	2.349	3	1	4	C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1C
214177209	ZINC000337603846	mid	7.48	-39.33	1	279.428	2.349	3	1	4	C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@H+]1C
214177210	ZINC000337603846	high	5.86	-6.12	0	279.428	2.349	2	2	4	C[C@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CCN1C
349533276	ZINC000621221864	ref	5.22	-8.66	0	282.306	2.092	1	2	7	CCCCN(CC(F)(F)F)C(=O)[C@H](C)NC(=O)CC
365624040	ZINC000336543687	ref	3.88	-13.69	0	261.749	2.043	0	2	2	O=S1CCN(Cc2cc(F)ccc2Cl)CC1
365624043	ZINC000336544327	ref	6.79	-10.9	0	276.38	2.222	0	3	2	Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)n1C
365624047	ZINC000336544198	ref	4.41	-10.91	0	290.363	2.301	2	3	2	COc1cc(C)cc(NC(=O)N2C[C@H](O)C3(CC3)C2)c1C
197598319	ZINC000162885342	ref	5.78	-43.13	1	308.447	2.162	2	3	7	O=C(C[NH2+]CC1CC1)N1CCC[C@H]1C[C@H](O)c1cccs1
214177200	ZINC000278474849	ref	6.44	-14.29	0	304.39	2.509	1	3	3	COc1cc(C)cc(NC(=O)[C@H]2CCCN(C(C)=O)C2)c1C
222609197	ZINC000222548250	ref	14.3	-14.59	0	394.559	4.507	1	2	10	CCCC(=O)N(Cc1cccc(C)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C
365624052	ZINC000336543614	ref	4.17	-9.4	0	281.396	2.269	1	3	3	O=C(C[C@@H]1CCOC1)NC1CCC2(CCOCC2)CC1
365624057	ZINC000336544058	ref	4.21	-14.14	0	295.364	2.165	1	4	3	C[C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)[C@@H](c2ccco2)C1
365624060	ZINC000336543886	ref	1.91	-41.83	-1	287.718	2.172	1	3	3	O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@H]1CCO
214177204	ZINC000278474969	ref	6.86	-49.81	1	303.435	2.579	2	4	5	Cc1ccnc(-c2n[nH]c([C@@H](C)[NH2+]C[C@@H]3CCSC3)n2)c1
365624065	ZINC000336543886	low	1.14	-8.76	0	287.718	2.172	2	3	3	O=C(c1cc(F)c(O)c(Cl)c1)N1CCC[C@H]1CCO
365624069	ZINC000336543710	ref	4.26	-8.35	0	266.341	2.473	0	4	3	COCc1nc(C(=O)N2CCCCC(C)(C)C2)co1
282120565	ZINC000248957717	mid	4.37	-37.07	1	300.443	1.089	3	3	8	C[C@@H](O)C[N@@H+](CC(=O)N(C)CC1CCCCC1)[C@H](C)CO
282120569	ZINC000248957717	mid	1.46	-10.49	0	300.443	1.089	2	4	8	C[C@@H](O)CN(CC(=O)N(C)CC1CCCCC1)[C@H](C)CO
214177208	ZINC000278474969	high	6.63	-41.91	0	303.435	2.579	1	4	5	Cc1ccnc(-c2nnc([C@@H](C)[NH2+]C[C@@H]3CCSC3)[n-]2)c1
282120574	ZINC000248955465	ref	1.19	-42.79	1	310.394	1.087	4	4	9	COc1ccc(NC(=O)CC[N@H+](C[C@@H](C)O)[C@H](C)CO)cc1
282120579	ZINC000248955465	mid	1.54	-43.04	1	310.394	1.087	4	4	9	COc1ccc(NC(=O)CC[N@@H+](C[C@@H](C)O)[C@H](C)CO)cc1
342083749	ZINC000625339071	ref	3.87	-9.47	0	290.335	1.993	0	3	2	C[C@H]1CN(S(=O)(=O)c2ccncc2)C[C@@H](C)C1(F)F
342083750	ZINC000625339402	ref	6.19	-57.38	1	261.369	1.737	1	2	3	CC(=O)N1CC[C@H]([NH2+]Cc2ccncc2C)[C@H](C)C1
342083751	ZINC000625339976	ref	6.35	-10.98	0	292.383	1.94	1	5	6	CCCN(C[C@@H]1CCCCO1)C(=O)c1cnc(NC)cn1
342083752	ZINC000625338456	ref	2.05	-11.89	0	298.389	1.768	1	5	6	COCc1cccc(S(=O)(=O)NCc2ccns2)c1
214177211	ZINC000278475339	ref	2.48	-16.23	0	322.405	1.057	1	5	7	COCCO[C@@H]1C[C@@H](CO)CN(C(=O)[C@@H](C)c2cccnc2)C1
214177215	ZINC000278473736	ref	6.6	-8.61	0	304.39	2.907	1	3	3	COC(=O)NC(C)(C)C(=O)N1C[C@H](C(C)C)c2ccccc21
214177218	ZINC000278473826	ref	5.7	-11.52	0	319.796	1.867	1	5	3	Cn1nccc1N1CCC[C@H](NC(=O)c2ccc(Cl)nc2)C1
214177222	ZINC000278473624	ref	6.47	-11.26	0	302.378	2.029	1	5	3	Cc1cc(N2CCC[C@H](NC(=O)c3ccc(C)o3)C2)n(C)n1
178293855	ZINC000237023493	ref	4.18	-45.58	1	360.502	1.243	3	3	9	CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NCCCN1CC[NH2+]CC1
290623135	ZINC000492526815	high	6.73	-49.69	-1	277.32	2.253	0	4	5	C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)[N-]O[C@H]2CCOC2)o1
214177227	ZINC000278474976	ref	6.07	-21.32	0	317.357	2.787	1	4	8	CC(=O)CSCC(=O)N[C@H](C)c1ccccc1OC(F)F
178293857	ZINC000237019758	ref	5.77	-55.03	1	365.499	1.73	2	3	6	CCN(CC)S(=O)(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
178293858	ZINC000237034318	ref	6.13	-57.42	1	365.499	1.606	1	3	5	CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC[NH2+]CC1
214177231	ZINC000278475418	ref	10.45	-10.2	0	310.405	2.76	1	6	3	Cc1ccc([C@@H](C)N(C)c2nc(N)c3cnn(C)c3n2)c(C)c1
214177233	ZINC000278475418	low	10.82	-32.45	1	310.405	2.76	1	5	3	Cc1ccc([C@@H](C)N(C)c2nc3c(cnn3C)c(N)[nH+]2)c(C)c1
214177236	ZINC000278475585	ref	7.6	-14.51	0	317.37	2.574	0	7	5	COC[C@H](OC(=O)c1ccc2c(c1)ncn2C)c1nccs1
178293859	ZINC000237028430	ref	7.78	-56.42	-1	369.215	1.781	1	4	5	CC[C@H](NC(=O)[C@@H]1CCN(c2ccccc2Br)C1=O)C(=O)[O-]
178293860	ZINC000237033051	ref	11.61	-65.59	-1	359.43	1.762	0	7	7	CCN(CCC(=O)[O-])C(=O)Cc1c(C)nn(-c2nc(C)cc(C)n2)c1C
290623137	ZINC000492526885	ref	7.59	-9.45	0	289.379	2.088	0	4	3	CCn1ccnc1/C=C/C(=O)N1CCOC2(CCCC2)C1
214177245	ZINC000278475660	ref	5.2	-17.47	0	312.307	1.179	0	9	7	COC[C@@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nccs1
214177250	ZINC000278474360	ref	8.38	-49.22	1	309.417	2.66	2	3	4	Cn1nccc1N1CCC[C@H]([NH2+]Cc2cccc3cc[nH]c23)C1
282120567	ZINC000151589300	ref	5.72	-12.23	0	304.415	2.476	2	3	7	CCNC(=O)CNC(=O)CCCc1csc2ccccc12
282120576	ZINC000151594614	ref	6.32	-7.42	0	314.389	2.165	2	4	5	CCCn1nccc1NC(=O)C(=O)NCc1ccc(C)cc1C
185090364	ZINC000096075962	mid	6.34	-44.39	1	266.385	1.5	1	2	4	COCC[N@H+]1CC[C@]12CCN(C(=O)C1CCCC1)C2
349533279	ZINC000621481322	ref	7.52	-9.33	0	294.439	3.025	1	2	7	COCCC1(CNC(=O)N2CC(CC3CC3)C2)CCCC1
214177212	ZINC000337605704	ref	5.57	-10.57	0	293.407	2.13	1	3	8	CCN(CCOCCO)C(=O)C(C)(C)c1ccccc1C
214177216	ZINC000337602393	ref	5.66	-14.01	0	281.327	2.231	1	3	5	COc1ccc(C2CC(NC(=O)[C@@H](C)OC)C2)cc1F
214177220	ZINC000337605327	ref	2.18	-9.75	0	256.302	0.626	1	5	7	CCc1onc(C)c1C(=O)N(C)CCOCCO
365624041	ZINC000625039176	ref	3.57	-14.29	0	305.469	2.065	1	5	7	CCC(C)(C)CS(=O)(=O)NCc1csc(N(C)C)n1
185090365	ZINC000096075962	mid	3.22	-9.17	0	266.385	1.5	0	3	4	COCCN1CC[C@]12CCN(C(=O)C1CCCC1)C2
365624044	ZINC000625038824	ref	4.43	-10.77	0	319.467	2.022	0	4	6	CCOC1(CS(=O)(=O)N2C[C@@H](C)C[C@@H]2CC)CCOCC1
185090366	ZINC000096076581	ref	7.55	-40.48	1	296.411	1.126	1	3	2	C[N@@H+]1CCOC[C@]2(CN(C(=O)CC3CCCC3)CCO2)C1
365624046	ZINC000625038638	ref	5.82	-18.16	0	307.438	2.408	2	2	3	C[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1
214177223	ZINC000337604329	ref	0.91	-47.36	1	286.376	-0.781	4	3	5	CN1CCC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1=O
365624048	ZINC000625039939	ref	7.52	-15.38	0	308.328	2.186	0	2	2	C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1
185090367	ZINC000096076581	mid	7.7	-38.85	1	296.411	1.126	1	3	2	C[N@H+]1CCOC[C@]2(CN(C(=O)CC3CCCC3)CCO2)C1
197598329	ZINC000162879528	ref	5.13	-41.32	-1	318.295	2.033	1	3	6	Cc1cc(C)cc(C(=O)NCC(=O)[N-]OCCC(F)(F)F)c1
197598331	ZINC000162879528	low	5.71	-12.19	0	318.295	2.033	2	3	6	Cc1cc(C)cc(C(=O)NCC(=O)NOCCC(F)(F)F)c1
214177226	ZINC000337604329	high	-1.07	-16.48	0	286.376	-0.781	3	4	5	CN(C)C[C@@](C)(O)CNC(=O)N[C@@H]1CCCN(C)C1=O
214177228	ZINC000337603524	ref	8.27	-42.08	1	289.423	2.358	2	2	8	CCCCN(C)c1ccc(C(=O)NCC[NH+]2CCC2)cc1
342083753	ZINC000625339409	ref	5.91	-56.28	1	261.369	1.737	1	2	3	CC(=O)N1CC[C@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1
214177232	ZINC000337603524	mid	5.08	-10.12	0	289.423	2.358	1	3	8	CCCCN(C)c1ccc(C(=O)NCCN2CCC2)cc1
342083754	ZINC000625339407	ref	6.16	-57.59	1	261.369	1.737	1	2	3	CC(=O)N1CC[C@@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1
342083755	ZINC000625339216	ref	2.37	-12.19	0	298.389	1.939	1	5	5	COc1ccc(S(=O)(=O)NCc2ccns2)cc1C
342083756	ZINC000625338415	ref	0.22	-48.41	-1	278.399	1.627	1	5	8	CCC[C@H](CNS(=O)(=O)c1cscn1)OCC
342083757	ZINC000625338415	high	0.22	-48.41	-1	278.399	1.627	0	5	8	CCC[C@H](C[N-]S(=O)(=O)c1cscn1)OCC
214177213	ZINC000053335999	ref	7.58	-13.03	0	348.805	2.926	1	2	7	NC(=O)CCN(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl
178293862	ZINC000237027389	ref	9.69	-60.25	-1	368.38	1.679	0	4	6	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCc1cc(F)ccc1F
214177219	ZINC000053327427	ref	3.35	-15.4	0	331.372	1.403	2	5	7	Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)C(N)=O)cc1
214177225	ZINC000053354575	ref	6.57	-23.87	0	343.408	2.111	0	4	5	CCN(CCC#N)C(=O)CN1c2cccc3cccc(c23)S1(=O)=O
178293863	ZINC000237034869	ref	7.84	-51.05	1	355.413	1.959	1	2	5	CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O
214177230	ZINC000053341795	ref	7.12	-13.09	0	327.409	3.01	1	5	5	COc1ccccc1[C@@H](NC(=O)c1cccs1)c1nccn1C
214177235	ZINC000053341795	low	8.36	-29.98	1	327.409	3.01	1	4	5	COc1ccccc1[C@@H](NC(=O)c1cccs1)c1[nH+]ccn1C
214177239	ZINC000053325810	ref	2.94	-13.62	0	337.807	1.182	2	3	4	C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(N)=O
214177244	ZINC000053324907	ref	5.61	-16.04	0	329.74	1.22	1	5	6	C[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1Cl)C(=O)N(C)C
214177249	ZINC000053328391	ref	-1.13	-15.65	0	333.797	0.194	2	4	5	C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N(C)C)c1)C(N)=O
178293865	ZINC000237034869	mid	7.54	-16.74	0	355.413	1.959	1	3	5	CN(C(=O)[C@@H](N)Cc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O
185090368	ZINC000096076581	high	5.89	-7.99	0	296.411	1.126	0	4	2	CN1CCOC[C@@]2(C1)CN(C(=O)CC1CCCC1)CCO2
178293866	ZINC000237022507	ref	5.9	-53.01	1	369.469	1.65	2	4	6	CCn1cc(NC(=O)C2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cn1
178293868	ZINC000237022507	high	5.61	-17.57	0	369.469	1.65	2	5	6	CCn1cc(NC(=O)C2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cn1
214177255	ZINC000053355444	ref	7.34	-20.7	0	343.383	0.753	0	4	3	CC(=O)N1CCCN(C(=O)CCN2C(=O)c3ccccc3C2=O)CC1
178293869	ZINC000237028274	ref	4.95	-46.51	1	358.486	1.331	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1
210256267	ZINC000428328515	ref	0.38	-19.13	0	349.497	0.129	1	5	8	CC(C)C[C@@H](CNS(=O)(=O)[C@H](C)C(=O)N(C)C)N1CCOCC1
168365665	ZINC000043336354	low	5.13	-108.48	2	191.234	1.413	1	2	3	C[C@@H]([NH3+])[C@@H](c1ccco1)n1cc[nH+]c1
178293870	ZINC000237029560	ref	8.84	-66.97	-1	357.41	1.492	1	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1c[nH]c2ccccc12
168365670	ZINC000061819473	ref	4.51	-28.88	1	184.327	1.844	2	1	2	C[C@@H](N)[C@@H](C)[NH+]1CCC(C)(C)CC1
214177237	ZINC000337603003	ref	6.52	-13.46	0	291.391	2.425	1	3	8	CCN(CCOCCO)C(=O)c1ccc(C2CCC2)cc1
214177243	ZINC000337605624	ref	5.35	-8.57	0	254.374	2.291	2	2	7	CO[C@@H](C)CCNC(=O)NCC1(C2CC2)CCC1
214177246	ZINC000337605380	ref	6.96	-39.61	1	285.457	2.056	3	2	6	CCS[C@@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC1
214177248	ZINC000337605380	mid	3.77	-9.32	0	285.457	2.056	2	3	6	CCS[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CCC1
342598995	ZINC000616987570	ref	1.07	-9.59	0	290.15	1.666	3	2	4	C[C@@H](NC(N)=O)C(=O)NCc1cc(Cl)cc(Cl)c1
365624050	ZINC000274324774	ref	1.76	-11.45	0	275.312	1.494	2	5	5	CN(C)[C@@H](CNC(=O)Nc1cncnc1)c1ccco1
342598996	ZINC000590823511	ref	3.88	-18.86	0	281.113	1.831	1	3	1	N#CC1CN(C(=O)Nc2cncc(Br)c2)C1
342598997	ZINC000616987175	ref	3.01	-8.76	0	275.135	1.746	2	2	4	CC(=O)NCC(=O)NCc1cc(Cl)cc(Cl)c1
365624055	ZINC000274324774	mid	4.31	-47.07	1	275.312	1.494	3	4	5	C[NH+](C)[C@@H](CNC(=O)Nc1cncnc1)c1ccco1
342598998	ZINC000590822174	ref	4.76	-47.27	-1	275.356	1.804	1	3	1	C[C@H]1CCCC[C@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N
214177251	ZINC000337603058	ref	4.64	-40.79	1	270.373	0.659	2	3	6	CC(=O)CCC(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1
214177254	ZINC000337603058	mid	4.33	-41.74	1	270.373	0.659	2	3	6	CC(=O)CCC(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1
214177256	ZINC000337603058	high	1.9	-8.72	0	270.373	0.659	1	4	6	CC(=O)CCC(=O)N1CCC(N(C)C[C@H](C)O)CC1
214177259	ZINC000337605136	ref	2.5	-24.98	0	299.392	0.434	1	4	8	CN(CCOCCO)C(=O)Cc1ccc([S@](C)=O)cc1
214177261	ZINC000337604923	ref	2.79	-12.34	0	294.351	2.311	2	4	4	COc1cc(NC(=O)N[C@@H]2CCO[C@H]2C)c(C)c(OC)c1
214177265	ZINC000337603984	ref	0.98	-14.83	0	272.345	-0.241	2	4	7	CCN(CCOCCO)C(=O)[C@H]1CC(=O)N[C@@H](C)C1
342598999	ZINC000590822174	mid	4.07	-23.38	0	275.356	1.804	2	3	1	C[C@H]1CCCC[C@]1(C)NC(=O)N=c1[nH]n(C)cc1C#N
342599000	ZINC000590822253	ref	6.63	-48.16	-1	287.367	1.806	1	3	3	Cn1cc(C#N)c(=NC(=O)NCC2(C3CCC3)CCC2)[n-]1
197598334	ZINC000290108289	ref	4.78	-11.62	0	291.326	2.636	2	3	3	CC1(CNC(=O)Nc2ccc(C#N)c(F)c2)CCOCC1
299072434	ZINC000358088257	ref	5.79	-12.48	0	315.329	1.557	0	6	4	CC(=O)C[C@@H]1COCCN1C(=O)c1cc(-c2ccccn2)no1
197598336	ZINC000290110168	ref	7.98	-7.53	0	269.385	3.244	1	2	6	Cc1ccc(C[C@H](C)NC(=O)C2(CCF)CC2)s1
342599001	ZINC000590822253	mid	5.94	-25.98	0	287.367	1.806	2	3	3	Cn1cc(C#N)c(=NC(=O)NCC2(C3CCC3)CCC2)[nH]1
214177274	ZINC000337605223	ref	0.64	-14.48	0	268.313	0.561	1	5	8	CCOc1ncccc1C(=O)N(C)CCOCCO
290623138	ZINC000492526885	low	8.04	-38.19	1	289.379	2.088	0	3	3	CCn1cc[nH+]c1/C=C/C(=O)N1CCOC2(CCCC2)C1
365624051	ZINC000625038751	ref	2.22	-8.08	0	302.168	2.309	2	3	5	COCC[C@@H](C)NC(=O)c1cc(O)cc(Br)c1
398246828	ZINC000651454876	ref	7.45	-10.83	0	273.38	3.194	2	1	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]1c1ccc[nH]1
178293867	ZINC000074587551	ref	4.43	-10.03	0	245.326	2.684	3	1	3	Cc1cc2cc(CNC(=O)NC(C)C)ccc2[nH]1
178293872	ZINC000095830957	ref	3.94	-8.62	0	239.072	1.994	1	2	0	Cc1cc2cc(Br)cnc2[nH]c1=O
178293874	ZINC000286375265	ref	2.78	-13.2	0	232.283	1.473	3	2	3	Cc1cc2cc(CNC(=O)[C@@H](C)O)ccc2[nH]1
178293877	ZINC000129429384	ref	2.71	-7.87	0	247.294	2.16	2	3	3	Cc1cc2cc(C(=O)NC[C@@H](C)O)oc2cc1C
365624053	ZINC000625038751	high	2.96	-38.48	-1	302.168	2.309	1	3	5	COCC[C@@H](C)NC(=O)c1cc([O-])cc(Br)c1
343994494	ZINC000248522605	ref	6.25	-15.08	0	266.385	1.938	1	2	2	CC(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1
178293879	ZINC000173011658	ref	7.62	-8.36	0	243.306	3.286	0	2	1	Cc1cc2cc(C(=O)N3CCCC3)oc2cc1C
178293883	ZINC000150043930	ref	7.02	-8.17	0	208.264	3.538	1	1	1	Cc1cc2cc(-c3ccccc3)ncc2[nH]1
398246829	ZINC000651454341	ref	7.71	-10.99	0	274.364	3.459	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]1c1ccco1
398246830	ZINC000651454732	ref	7.99	-8.19	0	256.349	3.045	1	1	1	O=C(NC1CC2(CCC2)C1)N1Cc2ccccc2C1
398246831	ZINC000651455070	ref	6.94	-8.62	0	272.396	3.327	1	4	5	CCn1ccnc1[C@H](C)N[C@H](C)c1ccc(C)nc1C
214177238	ZINC000293478707	ref	7.44	-12.73	0	356.43	0.795	1	6	3	Cc1nc(NC(=O)C(=O)N2CCN(Cc3ccccc3)C[C@H]2C)nn1C
398246832	ZINC000651455070	mid	7.59	-42.23	1	272.396	3.327	1	3	5	CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1ccc(C)nc1C
214177240	ZINC000293478707	low	9.66	-48.26	1	356.43	0.795	2	5	3	Cc1nc(NC(=O)C(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)nn1C
178293897	ZINC000353133130	ref	3.9	-9.04	0	240.31	2.489	3	2	4	Cc1cc2cc(CNCc3cc[nH]n3)ccc2[nH]1
178293900	ZINC000353133130	mid	5.27	-42.52	1	240.31	2.489	3	1	4	Cc1cc2cc(C[NH2+]Cc3cc[nH]n3)ccc2[nH]1
178293903	ZINC000353133130	low	5.25	-50.01	1	240.31	2.489	3	1	4	Cc1cc2cc(C[NH2+]Cc3ccn[nH]3)ccc2[nH]1
178293907	ZINC000011634012	ref	6.39	-4.89	0	215.3	2.952	2	2	1	Cc1cc2cc(C(C)C)ccc2[nH]c1=NN
365624056	ZINC000625039687	ref	6.05	-19.7	0	305.378	2.135	1	3	4	C[C@H](c1ccco1)N(C)C(=O)N[C@H]1CCN(C2CCC2)C1=O
214177242	ZINC000293478707	low	9.73	-47.12	1	356.43	0.795	2	5	3	Cc1nc(NC(=O)C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)nn1C
214177247	ZINC000293487046	ref	4.55	-15.37	0	360.819	0.979	0	5	4	CCOC(=O)c1cc(Cl)cc(S(=O)(=O)N2CCN(C)C(=O)C2)c1
342083758	ZINC000625339260	ref	3.11	-13.06	0	269.382	1.861	1	3	11	CCC[C@H](CNS(=O)(=O)CCCCF)OCC
343994495	ZINC000139307186	ref	2.92	-6.15	0	182.267	1.095	1	2	1	C[C@H]1N[C@@H](C)N(C2CCCC2)C1=O
346818960	ZINC000589953482	ref	7.53	-8.08	0	259.349	3.146	1	2	4	C[C@@H]1C[C@@H]1NC(=O)c1ccc(OC2CCCC2)cc1
214177257	ZINC000293482676	ref	5.79	-8.15	0	354.432	0.745	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCS[C@H](C(C)C)C1
214177260	ZINC000293482218	ref	0.51	-20.25	0	356.37	0.392	0	6	5	CN(CCN1CCOCC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F
295666598	ZINC000412989308	ref	7.05	-14.25	0	324.327	2.504	1	3	5	CC[C@@]1(C(C)C)NC(=O)N(CC(=O)c2cc(F)ccc2F)C1=O
343994499	ZINC000139307186	low	4.18	-45.18	1	182.267	1.095	1	1	1	C[C@H]1[NH2+][C@@H](C)N(C2CCCC2)C1=O
343994501	ZINC000139307298	ref	3.11	-6.16	0	182.267	1.095	1	2	1	C[C@@H]1N[C@@H](C)N(C2CCCC2)C1=O
365624059	ZINC000274325221	ref	4.36	-13.37	0	252.318	1.127	2	4	4	CC(C)O[C@@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1(C)C
365624066	ZINC000274325221	mid	4.38	-5.67	0	252.318	1.127	2	4	4	CC(C)O[C@@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1(C)C
365624070	ZINC000274325221	mid	4.36	-13.37	0	252.318	1.127	2	4	4	CC(C)O[C@@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1(C)C
365624072	ZINC000274325046	ref	4.35	-7.47	0	272.327	1.938	0	4	3	Fc1cncc(CN2CCN(c3ccccn3)CC2)c1
365624076	ZINC000274325046	low	6.88	-45.36	1	272.327	1.938	1	3	3	Fc1cncc(C[NH+]2CCN(c3ccccn3)CC2)c1
346818965	ZINC000589952237	ref	8.71	-8.63	0	263.406	3.328	1	2	5	CC(C)[C@H](Sc1ccccc1)C(=O)N[C@@H]1C[C@@H]1C
343994505	ZINC000139307298	low	4.41	-45.34	1	182.267	1.095	1	1	1	C[C@@H]1[NH2+][C@@H](C)N(C2CCCC2)C1=O
343994506	ZINC000139408392	ref	0.91	-11.69	0	171.152	-1.135	1	4	2	CCOC(=O)[C@H]1C(=O)CNC1=O
282123574	ZINC000533473803	ref	6.02	-12.33	0	277.364	1.823	1	3	5	C[C@H](O)[C@@H]1CCCN(C(=O)COCc2ccccc2)C1
259308786	ZINC000089183804	ref	7.7	-43.34	1	249.402	3.177	1	2	5	CC[C@H]([NH2+]Cc1cc(C)nn1C)C1CCCCC1
342083759	ZINC000625338926	ref	6.2	-39.24	1	254.374	1.259	1	3	4	CC(C)(C)CNC(=O)CN1CCO[C@H](C2CC2)C1
342083760	ZINC000625338926	low	5.76	-37.87	1	254.374	1.259	2	2	4	CC(C)(C)CNC(=O)C[N@@H+]1CCO[C@H](C2CC2)C1
346818969	ZINC000589953428	ref	9.16	-8.25	0	274.408	3.451	1	2	7	CCCCN(CC)c1ccc(C(=O)N[C@@H]2C[C@@H]2C)cc1
365624061	ZINC000625038657	ref	5.66	-11.29	0	323.418	2.483	0	5	3	Cc1ncc(S(=O)(=O)N2CC[C@H](C)C[C@H]2c2ccco2)n1C
365624064	ZINC000625039938	ref	7.51	-11.24	0	308.328	2.186	0	2	2	C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1
178293871	ZINC000237036215	ref	2.69	-57.98	1	362.455	1.498	3	4	9	CC[NH2+]Cc1ccccc1NC(=O)CCNS(=O)(=O)c1cccnc1
178293873	ZINC000237021353	ref	2.6	-55.35	1	361.533	1.341	3	4	9	CC[NH2+]CCNS(=O)(=O)c1ccc(CCNC(=O)C(C)(C)C)s1
178293875	ZINC000237036826	ref	0.96	-50.99	1	353.467	1.185	1	6	6	CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)n1
178293876	ZINC000237036826	high	0.71	-12.46	0	353.467	1.185	1	7	6	CCO[C@@H](C)c1noc(CN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)n1
178293878	ZINC000237029701	ref	8.88	-63.26	-1	354.353	1.289	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)Cc1cc(F)ccc1F
178293880	ZINC000237033831	ref	5.47	-43.42	1	372.513	1.622	1	3	5	CN(C(=O)CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1)C1CCCCC1
185090370	ZINC000096078754	ref	4.55	-40.33	1	279.409	1.096	1	3	4	C[NH+](C)CC(=O)N1CC2(CCN2Cc2ccsc2)C1
178293881	ZINC000237033831	mid	5.14	-14.89	0	372.513	1.622	1	4	5	CN(C(=O)CN1CCN(C(=O)[C@@H](N)c2ccccc2)CC1)C1CCCCC1
214177258	ZINC000053352546	ref	10.82	-15.34	0	337.448	4.526	1	4	5	C[C@H](Sc1nccn1C)c1cccc(NC(=O)c2ccccc2)c1
214177263	ZINC000053331406	ref	4.41	-26.9	0	345.237	1.766	1	7	6	O=C(Cn1ccc([N+](=O)[O-])n1)Nc1ccc(OCC(F)(F)F)nc1
365624067	ZINC000625040005	ref	5.77	-13.19	0	315.41	2.103	1	3	8	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NCC1(C)CC1
178293882	ZINC000237026258	ref	5.58	-49.83	1	358.486	1.331	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CC[NH2+]CC2)CC1
214177268	ZINC000053334406	ref	6.26	-11.71	0	337.38	1.218	2	6	4	Nc1n[nH]c(SCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)n1
214177275	ZINC000053345911	ref	8.5	-19.68	0	342.351	2.823	0	5	6	COCCOc1cccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)c1
178293884	ZINC000237026793	ref	7.86	-91.17	2	370.501	1.414	3	4	7	Cc1c(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)nnn1C1CC[NH2+]CC1
259308788	ZINC000322996195	ref	6.1	-33.15	1	213.365	2.97	1	1	5	CC[C@](C)(C[NH2+][C@H]1CCC[C@H](C)C1)OC
178305586	ZINC000062534548	ref	6.81	-51.69	0	247.298	1.455	1	4	4	Cc1cc2ncn(CC[C@H]([NH3+])C(=O)[O-])c2cc1C
185090371	ZINC000096078754	mid	2.14	-11.53	0	279.409	1.096	0	4	4	CN(C)CC(=O)N1CC2(CCN2Cc2ccsc2)C1
185090372	ZINC000096078754	low	7.23	-94.68	2	279.409	1.096	2	2	4	C[NH+](C)CC(=O)N1CC2(CC[N@@H+]2Cc2ccsc2)C1
365624063	ZINC000617388954	ref	4.22	-9.45	0	257.33	0.675	0	4	5	COC[C@@H](OC)C(=O)N1CCO[C@@](C)(C2CC2)C1
365624068	ZINC000617388485	ref	5.5	-12.64	0	287.323	0.765	0	6	2	C[C@@]1(C2CC2)CN(C(=O)c2ccn3nnnc3c2)CCO1
365624074	ZINC000617389158	ref	4.82	-18.9	0	260.253	0.323	1	6	4	O=C(Cn1cncn1)NCc1cccc2c1OCO2
365624079	ZINC000617389824	ref	4.03	-18.61	0	287.381	0.591	0	4	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO1
365624083	ZINC000617388243	ref	2.75	-10.64	0	252.314	0.15	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCNC2=O)CCO1
365624089	ZINC000617389641	ref	8.2	-16.74	0	287.323	0.765	0	6	2	C[C@@]1(C2CC2)CN(C(=O)c2nc3ncccn3n2)CCO1
282120573	ZINC000446559245	ref	4.39	-15.23	0	334.767	0.705	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cn1)CC2
365624094	ZINC000617387736	ref	5.17	-17.34	0	296.367	0.261	0	4	4	CC(=O)N1CC(OCC(=O)N2CCO[C@@](C)(C3CC3)C2)C1
365624099	ZINC000617388168	ref	2.57	-17.45	0	267.329	0.038	1	3	2	CN1C[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)NC1=O
365624105	ZINC000617389603	ref	6.0	-14.56	0	263.341	0.99	0	4	3	Cn1ccc(CC(=O)N2CCO[C@](C)(C3CC3)C2)n1
342083761	ZINC000625338926	low	5.76	-37.87	1	254.374	1.259	2	2	4	CC(C)(C)CNC(=O)C[N@H+]1CCO[C@H](C2CC2)C1
214177267	ZINC000278474971	ref	8.06	-15.91	0	319.43	3.325	1	5	6	COC(C)(C)CC(=O)Nc1ccc(Sc2nccn2C)cc1
365624108	ZINC000617390495	ref	2.95	-12.88	0	292.335	0.949	1	4	4	C[C@@]1(C2CC2)CN(C(=O)c2ccoc2CC(N)=O)CCO1
282123575	ZINC000533474539	ref	4.58	-13.36	0	299.411	1.58	1	4	5	C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]([C@@H](C)O)C1
365624115	ZINC000617390028	ref	3.62	-10.92	0	280.368	0.93	1	3	2	C[C@@]1(C(=O)N2CCO[C@](C)(C3CC3)C2)CCC(=O)NC1
185090373	ZINC000096078754	low	7.46	-98.11	2	279.409	1.096	2	2	4	C[NH+](C)CC(=O)N1CC2(CC[N@H+]2Cc2ccsc2)C1
365624121	ZINC000617390673	ref	3.26	-8.29	0	250.302	0.456	0	5	2	Cn1nncc1C(=O)N1CCO[C@@](C)(C2CC2)C1
365624127	ZINC000617387755	ref	3.58	-40.24	-1	265.313	0.767	0	4	2	Cn1[n-]c(C(=O)N2CCO[C@@](C)(C3CC3)C2)cc1=O
343994496	ZINC000079933972	ref	8.18	-18.27	0	287.363	2.167	1	4	8	Cc1ccc(OCCCCNC(=O)Cn2ccnc2)cc1
343994500	ZINC000079933972	low	8.7	-40.46	1	287.363	2.167	1	3	8	Cc1ccc(OCCCCNC(=O)Cn2cc[nH+]c2)cc1
365624134	ZINC000617387725	ref	4.51	-13.6	0	280.368	0.93	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C[C@@H]2CCC(=O)NC2)CCO1
214177266	ZINC000293478617	ref	-0.59	-13.63	0	358.435	0.422	1	6	5	COc1ccc(F)c(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1
214177270	ZINC000293478617	mid	0.68	-60.6	1	358.435	0.422	1	5	5	COc1ccc(F)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1
214177273	ZINC000293482554	ref	2.28	-17.32	0	373.45	0.505	1	5	6	O=C(c1cc(F)c[nH]1)N(CCCN1CCOCC1)[C@@H]1CCS(=O)(=O)C1
282120575	ZINC000533448386	low	5.52	-47.28	1	288.351	1.025	2	4	2	O=c1cc(C[N@@H+]2CCC3(CCOCC3)C2)nc2cc[nH]n12
214177277	ZINC000293480887	ref	9.79	-17.72	0	372.381	0.324	0	9	6	COCc1ccc(COC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)cc1
342599002	ZINC000590821425	ref	3.62	-19.31	0	296.298	1.599	2	4	2	COC(=O)c1ccc(NC(=O)N2CC[C@@H](O)[C@H]2C)cc1F
342599003	ZINC000590837958	ref	5.48	-17.58	0	286.416	1.956	1	3	9	CCN(CC)C(=O)CCCC(=O)NCCOC(C)(C)C
349533280	ZINC000594965190	mid	9.49	-131.42	2	275.371	2.66	2	2	4	CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccc(C#N)c(F)c1
349533284	ZINC000594965190	low	8.19	-134.06	2	275.371	2.66	2	1	4	CC(C)(C)[N@@H+]1CC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1
342599004	ZINC000590822177	ref	4.76	-47.26	-1	275.356	1.804	1	3	1	C[C@@H]1CCCC[C@@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N
197598341	ZINC000290110047	ref	4.56	-7.49	0	265.231	2.415	1	4	4	COC(=O)c1cc(CN[C@H](C)C(F)(F)F)oc1C
197598343	ZINC000290108307	ref	8.07	-77.43	2	294.439	2.701	2	2	9	CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1
214177281	ZINC000293478619	ref	1.42	-13.36	0	358.435	0.422	1	6	5	COc1ccc(F)c(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1
342599005	ZINC000590822177	mid	4.04	-23.39	0	275.356	1.804	2	3	1	C[C@@H]1CCCC[C@@]1(C)NC(=O)N=c1[nH]n(C)cc1C#N
214177285	ZINC000293478619	mid	2.21	-54.64	1	358.435	0.422	1	5	5	COc1ccc(F)c(C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1
197598345	ZINC000290108307	high	5.53	-33.52	1	294.439	2.701	1	3	9	CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(OCCN(C)C)cc1
342599006	ZINC000616987467	ref	2.92	-13.04	0	287.146	1.746	2	2	3	O=C1C[C@@H](C(=O)NCc2cc(Cl)cc(Cl)c2)CN1
214177290	ZINC000293482711	ref	0.06	-19.68	0	371.459	0.987	3	5	9	CC[C@@H](C)Oc1cccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c1
214177292	ZINC000293475199	ref	6.74	-45.2	1	365.434	0.336	2	6	6	CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C(=O)OC)cnn2C)C1
214177296	ZINC000293479167	ref	2.1	-15.02	0	374.401	0.277	3	8	5	COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@H]2C)cc1-n1cnnn1
342599007	ZINC000590837802	ref	6.8	-51.49	1	283.416	1.236	2	2	7	CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCC[N@H+](C)C1
282120577	ZINC000449149797	ref	4.36	-45.85	1	255.333	2.331	2	2	7	CC[C@H](C)[C@@H](O)C[NH2+]Cc1cc(F)cc(OC)c1
214177276	ZINC000278475229	ref	5.2	-12.58	0	306.406	2.937	2	3	3	COc1cc(C)c(NC(=O)N2CCC([C@H](C)O)CC2)cc1C
365624071	ZINC000625041121	ref	4.87	-12.2	0	307.419	2.199	1	4	5	Cc1ncc(S(=O)(=O)N[C@@H](C)[C@H](C)c2ccccc2)n1C
214177284	ZINC000278475075	ref	5.87	-16.2	0	315.348	2.228	0	4	4	O=C(Cc1cccnc1)N1CCC(Oc2ncccc2F)CC1
365624073	ZINC000625038659	ref	5.65	-12.3	0	323.418	2.483	0	5	3	Cc1ncc(S(=O)(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)n1C
365624077	ZINC000625038661	ref	6.24	-12.46	0	323.418	2.483	0	5	3	Cc1ncc(S(=O)(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)n1C
185090376	ZINC000096076014	ref	1.4	-18.1	0	290.367	0.062	1	4	3	CNC(=O)CN1CC[C@]12CCN(C(=O)c1cccn1C)C2
342599008	ZINC000590837802	mid	7.33	-54.73	1	283.416	1.236	2	2	7	CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](C)C1
365624078	ZINC000625040661	ref	5.47	-13.5	0	315.41	2.101	1	3	7	CO[C@@H](Cc1ccc(F)cc1)CS(=O)(=O)NC1CC(C)C1
282120581	ZINC000449149797	high	2.94	-4.44	0	255.333	2.331	2	3	7	CC[C@H](C)[C@@H](O)CNCc1cc(F)cc(OC)c1
365624082	ZINC000625040752	ref	5.44	-19.6	0	321.808	2.293	2	2	4	O=C(NCc1ccccc1Cl)N[C@@H]1CCN(C2CCC2)C1=O
214177288	ZINC000278473810	ref	3.25	-16.08	0	320.271	1.028	2	5	4	COC(=O)C1(NC(=O)N[C@@H](c2cnn(C)c2)C(F)(F)F)CC1
214177293	ZINC000278475781	ref	7.33	-42.62	1	307.459	2.564	2	3	5	O[C@H](C[C@@H]1COCC[N@@H+]1C[C@@H]1CCSC1)c1ccccc1
185090377	ZINC000096076014	low	4.42	-48.1	1	290.367	0.062	2	3	3	CNC(=O)C[N@@H+]1CC[C@]12CCN(C(=O)c1cccn1C)C2
185090378	ZINC000096076014	low	4.5	-42.07	1	290.367	0.062	2	3	3	CNC(=O)C[N@H+]1CC[C@]12CCN(C(=O)c1cccn1C)C2
185090379	ZINC000096076009	ref	0.18	-11.48	0	291.355	-0.114	1	6	4	CNC(=O)CN1CC[C@@]12CCN(c1cc(OC)ncn1)C2
185090380	ZINC000096076009	low	3.22	-41.56	1	291.355	-0.114	2	5	4	CNC(=O)C[N@@H+]1CC[C@@]12CCN(c1cc(OC)ncn1)C2
185090381	ZINC000096076009	low	3.23	-44.76	1	291.355	-0.114	2	5	4	CNC(=O)C[N@H+]1CC[C@@]12CCN(c1cc(OC)ncn1)C2
342599009	ZINC000590837802	high	4.44	-18.87	0	283.416	1.236	1	3	7	CCN(CC)C(=O)CCCC(=O)N[C@@H]1CCCN(C)C1
214177297	ZINC000278475781	mid	7.22	-44.22	1	307.459	2.564	2	3	5	O[C@H](C[C@@H]1COCC[N@H+]1C[C@@H]1CCSC1)c1ccccc1
342599010	ZINC000590822531	ref	3.66	-47.5	-1	284.323	1.047	1	4	2	Cc1cc(C)c(CNC(=O)N=c2[n-]n(C)cc2C#N)cn1
214177278	ZINC000337604698	ref	1.77	-14.78	0	282.34	0.821	2	4	8	CCc1cc(C(=O)N(CC)CCOCCO)cc(=O)[nH]1
178293885	ZINC000237026793	high	5.46	-51.19	1	370.501	1.414	2	5	7	Cc1c(C(=O)N[C@@H](Cc2ccccc2)CN(C)C)nnn1C1CC[NH2+]CC1
214177282	ZINC000337604219	ref	6.6	-43.88	1	287.473	2.157	3	2	6	CC(C)C[C@@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1
214177286	ZINC000337604219	high	4.42	-7.05	0	287.473	2.157	2	3	6	CC(C)C[C@@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1
214177289	ZINC000337603982	ref	1.12	-14.89	0	272.345	-0.241	2	4	7	CCN(CCOCCO)C(=O)[C@@H]1CC(=O)N[C@@H](C)C1
282120578	ZINC000533448386	low	5.87	-47.82	1	288.351	1.025	2	4	2	O=c1cc(C[N@H+]2CCC3(CCOCC3)C2)nc2cc[nH]n12
214177291	ZINC000337602833	ref	4.47	-9.96	0	293.326	3.199	1	4	3	COc1cc(C(=O)Nc2cccc3cnccc23)cc(C)n1
214177295	ZINC000337605889	ref	1.59	-14.47	0	290.385	-0.235	1	5	7	CCC(=O)N1CSC[C@@H]1C(=O)N(C)CCOCCO
342083762	ZINC000625339536	ref	2.73	-6.96	0	296.333	1.49	1	3	5	CC[C@H](O)CN1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1
214177299	ZINC000337604666	ref	7.7	-41.3	1	289.423	2.403	3	1	8	CCC[C@@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCC1
214177302	ZINC000337604666	mid	4.51	-10.2	0	289.423	2.403	2	2	8	CCC[C@@H](Cc1ccccc1)NC(=O)NCCN1CCC1
214177306	ZINC000337605490	ref	7.63	-16.05	0	263.337	2.251	0	3	4	COc1cc(C)ccc1OCC(=O)N1CC[C@@H](C)C1
214177310	ZINC000337604596	ref	7.71	-37.69	1	295.471	3.127	3	1	4	CC[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C(C)C)CC1
214177311	ZINC000337605139	ref	2.5	-24.53	0	299.392	0.434	1	4	8	CN(CCOCCO)C(=O)Cc1ccc([S@@](C)=O)cc1
214177315	ZINC000337604804	ref	7.78	-10.06	0	286.375	2.087	0	2	3	Cc1ccc(/C=C\CC(=O)N2CC(=O)N(C)[C@@H](C)C2)cc1
214177317	ZINC000337602460	ref	6.49	-11.07	0	288.347	2.026	2	3	6	COC(=O)[C@@H](C)CC(=O)NCCc1cccc2[nH]ccc12
214177320	ZINC000337605366	ref	-1.55	-10.05	0	260.334	-0.826	1	5	7	C[C@@H](C(=O)N(C)CCOCCO)N1CCOCC1
214177323	ZINC000337605366	low	0.65	-36.57	1	260.334	-0.826	2	4	7	C[C@@H](C(=O)N(C)CCOCCO)[NH+]1CCOCC1
214177326	ZINC000337603332	ref	4.01	-14.82	0	286.331	2.376	2	4	7	O=C(NCCCCO)c1cnccc1Oc1ccccc1
178305589	ZINC000062534548	low	7.28	-84.25	1	247.298	1.455	1	3	4	Cc1cc2[nH+]cn(CC[C@H]([NH3+])C(=O)[O-])c2cc1C
214177330	ZINC000337605186	ref	5.23	-7.43	0	298.452	3.331	1	4	8	CCC(CC)[C@H](CCNC(=O)c1nc(C)sc1C)OC
342083763	ZINC000625339536	mid	4.98	-44.27	1	296.333	1.49	2	2	5	CC[C@H](O)C[NH+]1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1
342599011	ZINC000590822531	mid	3.11	-27.23	0	284.323	1.047	2	4	2	Cc1cc(C)c(CNC(=O)N=c2[nH]n(C)cc2C#N)cn1
214177279	ZINC000053354947	ref	5.2	-10.73	0	345.359	1.553	0	7	4	Cc1cc(CN2CCN(C(=O)c3cc([N+](=O)[O-])cnc3C)CC2)on1
214177283	ZINC000053354680	ref	2.37	-19.52	0	335.408	0.418	1	5	3	Cc1cc(CN2CCN(C(=O)C3CCN(C(N)=O)CC3)CC2)on1
282123576	ZINC000533473994	ref	3.9	-7.32	0	295.408	1.372	2	5	4	C[C@H](O)[C@H]1CCCN(C(=O)c2csc(NC3CC3)n2)C1
214177287	ZINC000053338799	ref	5.41	-18.53	0	345.226	2.485	1	3	4	C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(Cl)c(Cl)c1
299072436	ZINC000354605345	ref	1.23	-20.38	0	345.399	0.899	3	4	5	NC(=O)C[C@H](NC(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CCOCC1
214177294	ZINC000053355410	ref	6.33	-14.99	0	330.306	2.28	0	3	2	CC(=O)N1CCCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1
214177300	ZINC000053342428	ref	7.37	-40.34	1	345.35	4.255	1	2	6	CN(CC[NH2+]C1CCCCCC1)Cc1cc(Br)cs1
214177304	ZINC000053325393	ref	4.48	-14.57	0	340.408	2.204	2	5	5	C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1)C(N)=O
214177308	ZINC000053330754	ref	5.53	-28.67	0	340.445	1.607	1	4	8	CCCN(CC(=O)Nc1ccccc1C)C(=O)CS(=O)(=O)CC
299072443	ZINC000354604904	ref	3.48	-13.67	0	327.312	0.796	1	5	7	COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1F
299072449	ZINC000354605242	ref	2.39	-6.97	0	325.39	0.831	1	6	4	CO[C@H]1CN(C(=O)C(=O)Nc2nc(C3CC3)cs2)C[C@@H]1OC
365624075	ZINC000336543977	ref	5.19	-9.9	0	289.375	2.131	1	3	2	COc1cccc2c1CCN(C(=O)[C@H]1CCC[C@H](O)C1)C2
342599012	ZINC000590822531	low	3.53	-46.16	1	284.323	1.047	2	3	2	Cc1cc(C)c(CNC(=O)N=c2[nH]n(C)cc2C#N)c[nH+]1
214177313	ZINC000053332744	ref	6.45	-10.55	0	338.473	2.73	0	3	5	CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)C2CCCC2)c1
214177318	ZINC000053331358	ref	3.92	-14.15	0	325.368	1.792	3	3	5	C[C@@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)C(N)=O
365624081	ZINC000336543727	ref	8.79	-43.89	1	289.354	2.111	1	2	3	CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1ccc(F)c(C#N)c1
342600631	ZINC000616999773	ref	3.57	-41.99	1	283.416	1.269	3	2	7	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCCCC(N)=O)C1
210256152	ZINC000265953759	ref	1.31	-12.96	0	355.391	0.729	3	4	5	C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
365624086	ZINC000336543727	mid	8.36	-44.65	1	289.354	2.111	1	2	3	CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(F)c(C#N)c1
365624080	ZINC000274326313	ref	0.51	-10.86	0	295.335	1.013	2	5	4	COc1ccc(O)c(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1
370645355	ZINC000356292301	ref	10.43	-38.31	1	274.408	2.344	1	1	7	CCc1cccc(CC(=O)N(CC[NH+](C)C)C2CC2)c1
343994497	ZINC000599272246	ref	5.33	-20.98	0	270.283	1.875	1	4	6	CC(C)C[C@@H](C#N)NC(=O)Cn1ccc(C(F)F)n1
365624085	ZINC000274326313	high	1.47	-55.08	-1	295.335	1.013	1	5	4	COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C[C@@H](C)O)c1
214177298	ZINC000293476956	ref	2.81	-31.48	0	366.443	0.406	2	5	5	CS(=O)(=O)C[C@H]1CCN(C(=O)NCCn2c(=O)[nH]c3ccccc32)C1
197598354	ZINC000290109014	ref	1.07	-7.64	0	292.335	1.077	3	4	7	C=C[C@@H](CO)NC(=O)C(=O)Nc1ccccc1OCCC
365624095	ZINC000274327525	ref	1.61	-13.67	0	265.288	1.204	3	2	4	NC(=O)[C@H](NC(=O)NC1CCC1)c1ccc(F)cc1
370645360	ZINC000356292301	high	7.96	-9.05	0	274.408	2.344	0	2	7	CCc1cccc(CC(=O)N(CCN(C)C)C2CC2)c1
365624104	ZINC000274326477	ref	4.12	-17.54	0	256.283	1.047	1	6	3	COC(=O)c1cnc(NC(=O)[C@@H]2CCCO2)s1
370645368	ZINC000356294439	ref	5.82	-14.06	0	296.298	2.136	1	4	4	C[C@H]1COCC[C@@H]1CNC(=O)c1ccc([N+](=O)[O-])cc1F
365624112	ZINC000274326619	ref	1.42	-41.78	1	270.76	1.401	3	2	6	C[C@H](CC(N)=O)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1
370645379	ZINC000356294478	ref	4.64	-8.32	0	269.385	2.123	1	3	5	C[C@@H]1COCC[C@H]1CNC(=O)CC[C@H]1CC[C@@H](C)O1
282120580	ZINC000533448386	high	2.64	-41.28	-1	288.351	1.025	0	5	2	O=c1cc(CN2CCC3(CCOCC3)C2)nc2cc[n-]n12
342083764	ZINC000625338325	ref	5.78	-55.18	1	297.443	1.385	2	2	5	CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+]CC(=O)NCC(C)(C)C
342083765	ZINC000625340010	ref	2.36	-11.43	0	275.399	1.208	1	4	6	C[C@@H](C1CC1)N(C)S(=O)(=O)NCc1ccns1
342083766	ZINC000625339233	ref	6.99	-18.32	0	269.304	1.771	1	3	1	O=C(c1cc(=O)[nH]cn1)N1CCCc2ccccc2C1
282120585	ZINC000533451663	ref	3.35	-16.14	0	295.379	1.737	2	4	9	COc1cccc(COCC(=O)NCC(C)(C)CCO)c1
282120593	ZINC000533445792	ref	6.85	-50.13	1	289.383	1.609	1	5	6	Cc1noc(CCC[N@H+]2CC[C@H](Cc3cnn(C)c3)C2)n1
342083767	ZINC000625339233	high	5.82	-43.2	-1	269.304	1.771	0	3	1	O=C(c1cc(=O)[n-]cn1)N1CCCc2ccccc2C1
342083768	ZINC000625340031	ref	5.3	-10.87	0	263.341	1.001	0	4	2	Cc1cn2c(n1)C[C@H](C(=O)N(C)[C@H]1CCOC1)CC2
342083769	ZINC000625340031	low	5.74	-35.44	1	263.341	1.001	0	3	2	Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@H]1CCOC1)CC2
342083770	ZINC000625338321	ref	5.48	-54.47	1	297.443	1.385	2	2	5	CC[C@H]1CN(C(C)=O)CC[C@@H]1[NH2+]CC(=O)NCC(C)(C)C
365624087	ZINC000625040834	ref	5.51	-10.19	0	320.418	2.076	0	5	3	C[C@H]1CC[C@@H](C)N(S(=O)(=O)c2cnnn2-c2ccccc2)C1
365624090	ZINC000625038642	ref	5.78	-19.07	0	307.438	2.408	2	2	3	C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1
259308791	ZINC000306269007	ref	2.44	-8.65	0	201.266	1.377	1	3	1	CC(C)OC(=O)N1CC[C@H](O)C1(C)C
299072437	ZINC000459277282	ref	6.61	-7.52	0	307.463	2.62	1	3	4	CC(C)[C@@H]1C[C@H]1NC(=O)N1CCN(Cc2cccs2)CC1
398246833	ZINC000651454096	ref	7.67	-7.09	0	250.386	3.151	1	1	1	CC1(C)CCN(C(=O)NC2CC3(CCC3)C2)CC1
282120588	ZINC000449150119	ref	4.68	-51.79	1	269.348	2.305	1	3	5	COc1nccc(C[NH2+]C[C@H]2CCc3ccccc32)n1
282120594	ZINC000449150119	high	3.34	-9.44	0	269.348	2.305	1	4	5	COc1nccc(CNC[C@H]2CCc3ccccc32)n1
398246834	ZINC000651452998	ref	8.14	-10.91	0	285.391	3.261	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]1c1ccncc1
299072441	ZINC000459277282	low	8.82	-43.36	1	307.463	2.62	2	2	4	CC(C)[C@@H]1C[C@H]1NC(=O)N1CC[NH+](Cc2cccs2)CC1
342599013	ZINC000590822527	ref	5.69	-48.73	-1	273.34	1.414	1	3	3	Cn1cc(C#N)c(=NC(=O)N[C@H](C2CCC2)C2CC2)[n-]1
342599014	ZINC000590822527	mid	4.82	-24.87	0	273.34	1.414	2	3	3	Cn1cc(C#N)c(=NC(=O)N[C@H](C2CCC2)C2CC2)[nH]1
299072445	ZINC000459277782	ref	4.49	-13.54	0	318.373	2.537	2	4	3	CO[C@@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C12CCC2
342599015	ZINC000590822310	ref	4.1	-48.96	-1	291.355	1.042	1	4	5	Cn1cc(C#N)c(=NC(=O)NCCOCC2CCCC2)[n-]1
342599016	ZINC000590822310	mid	3.4	-27.15	0	291.355	1.042	2	4	5	Cn1cc(C#N)c(=NC(=O)NCCOCC2CCCC2)[nH]1
178293887	ZINC000237034541	ref	4.82	-54.87	1	364.534	1.439	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1)C1CCCCC1
168365672	ZINC000061819473	mid	2.74	-37.7	1	184.327	1.844	1	1	2	C[C@@H]([NH3+])[C@@H](C)N1CCC(C)(C)CC1
197598365	ZINC000162880591	ref	4.89	-11.08	0	314.37	2.146	2	5	4	CCCNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1
212171644	ZINC000335494038	ref	3.14	-10.95	0	279.727	2.123	2	3	2	C[C@H]1C[C@H](NC(=O)c2[nH]nc3ccc(Cl)cc23)CO1
212171647	ZINC000335494038	mid	3.13	-10.25	0	279.727	2.123	2	3	2	C[C@H]1C[C@H](NC(=O)c2n[nH]c3ccc(Cl)cc23)CO1
212171652	ZINC000335494043	ref	5.31	-8.25	0	292.404	2.076	1	4	2	CNc1ccccc1C(=O)N1CCO[C@]2(CCSC2)C1
212171656	ZINC000335493633	ref	4.33	-46.25	1	281.4	0.749	2	2	2	CC(=O)N1CCC[C@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)C1
212171662	ZINC000335493930	ref	4.45	-14.25	0	277.295	2.415	1	3	1	C[C@H]1CCN(C(=O)c2coc3ccc(F)cc23)C[C@H]1O
178293888	ZINC000237035483	ref	7.82	-50.0	1	355.413	1.959	1	2	5	CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O
178293890	ZINC000237035483	mid	7.49	-18.54	0	355.413	1.959	1	3	5	CN(C(=O)[C@H](N)Cc1ccccc1)[C@H]1CCN(c2ccccc2F)C1=O
342083771	ZINC000625338921	ref	5.98	-46.88	-1	279.34	1.603	1	4	5	CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(=O)[nH]cn1
214177301	ZINC000278475781	mid	5.54	-5.83	0	307.459	2.564	1	4	5	O[C@H](C[C@@H]1COCCN1C[C@@H]1CCSC1)c1ccccc1
178293892	ZINC000237030124	ref	9.48	-99.61	2	364.534	1.31	1	3	5	CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1
178293893	ZINC000237030124	mid	9.43	-97.0	2	364.534	1.31	2	2	5	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1
178293895	ZINC000237030124	mid	9.48	-99.61	2	364.534	1.31	2	2	5	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1
178293896	ZINC000237027639	ref	5.96	-45.77	1	372.513	1.864	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)CC1
349533282	ZINC000621225126	ref	3.8	-8.75	0	280.334	2.423	1	2	5	CC1(C)CN(CC(=O)NCC(C)(C)CC(F)(F)F)C1
197598364	ZINC000290108153	ref	7.39	-42.31	1	251.395	2.688	1	2	6	c1ccc(CSCC[NH2+][C@H]2CCCOC2)cc1
178293898	ZINC000237027639	high	4.74	-13.18	0	372.513	1.864	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@]2(C)CCCCN2)CC1
349533289	ZINC000621225126	low	6.75	-39.15	1	280.334	2.423	2	1	5	CC1(C)C[NH+](CC(=O)NCC(C)(C)CC(F)(F)F)C1
178293899	ZINC000237034685	ref	7.77	-49.99	1	351.447	1.484	1	3	4	CN(C(=O)C[C@H]1CSCC[NH2+]1)[C@H]1CCN(c2ccccc2F)C1=O
178293901	ZINC000237034685	high	6.73	-19.43	0	351.447	1.484	1	4	4	CN(C(=O)C[C@H]1CSCCN1)[C@H]1CCN(c2ccccc2F)C1=O
342083772	ZINC000625338921	high	5.98	-46.88	-1	279.34	1.603	0	4	5	CCCN(C[C@@H]1CCCCO1)C(=O)c1cc(=O)[n-]cn1
282120592	ZINC000248957714	ref	3.41	-34.97	1	300.443	1.089	3	3	8	C[C@H](O)C[N@H+](CC(=O)N(C)CC1CCCCC1)[C@H](C)CO
178293902	ZINC000237023477	ref	8.67	-133.59	2	365.437	1.621	2	5	7	CCn1cc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)ccc1=O
259308794	ZINC000517231817	ref	4.38	-38.06	1	237.343	2.123	2	2	7	CCO[C@H](C[NH2+][C@@H](C)[C@@H](C)O)c1ccccc1
342083773	ZINC000625338933	ref	3.0	-9.9	0	284.381	1.519	0	4	5	COCCC1CCN(S(=O)(=O)c2ccncc2)CC1
342083774	ZINC000625339192	ref	3.21	-11.82	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@H](C)C1(F)F
365624088	ZINC000336543727	high	6.35	-12.88	0	289.354	2.111	0	3	3	CN1CCC[C@@H](CN(C)C(=O)c2ccc(F)c(C#N)c2)C1
365624091	ZINC000336544255	ref	8.11	-10.02	0	257.399	2.3	0	3	3	C[C@@H]1CCSCCN1C(=O)COC1CCCC1
365624097	ZINC000336543891	ref	6.09	-9.48	0	263.337	2.477	0	3	2	Cc1ccc(C(=O)N2CCC[C@@H]([C@@H]3CCOC3)C2)o1
185090384	ZINC000096075943	ref	3.19	-33.38	1	267.398	1.44	1	4	5	COCC[N@@H+]1CC[C@@]12CCN(Cc1nccs1)C2
342083775	ZINC000625339300	ref	6.83	-48.97	1	268.401	1.648	1	2	6	CCO[C@H](C[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1C)C1CC1
365624100	ZINC000336544031	ref	4.04	-16.11	0	288.351	2.018	2	4	3	Cc1cc(N2CCC(NC(=O)c3coc(C)c3)CC2)n[nH]1
365624107	ZINC000336544272	ref	7.54	-39.93	1	267.417	2.158	2	1	3	CC[NH+]1CCC(NC(=O)N2CC[C@H](C(C)C)C2)CC1
365624113	ZINC000336544272	high	5.15	-8.2	0	267.417	2.158	1	2	3	CCN1CCC(NC(=O)N2CC[C@H](C(C)C)C2)CC1
365624116	ZINC000336544207	ref	3.06	-8.09	0	280.372	2.392	2	4	3	Cc1noc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@H]2C)n1
365624124	ZINC000336544243	ref	4.43	-17.54	0	284.425	2.313	0	4	2	C[C@H]1CN(Cc2cc(C(C)(C)C)on2)C[C@@H](C)[S@@]1=O
365624129	ZINC000336543607	ref	4.4	-7.96	0	294.326	2.237	1	3	1	C[C@@H]1OCC[C@]12CN(C(=O)Nc1ccccc1F)CCO2
365624135	ZINC000336543837	ref	7.19	-11.94	0	286.379	2.395	0	4	2	Cc1cc(C(=O)N2CC[C@H](C(C)C)C2)c2cnn(C)c2n1
214177309	ZINC000278475828	ref	7.22	-10.92	0	305.407	1.82	2	5	7	CSCCCNC(=O)NCc1ncnn1-c1ccccc1
214177314	ZINC000278474128	ref	9.12	-42.94	1	323.44	2.768	2	2	5	O=C(NCCc1cccc2cccnc12)C1CC[NH+](C2CC2)CC1
185090385	ZINC000096075943	mid	3.21	-33.98	1	267.398	1.44	1	4	5	COCC[N@H+]1CC[C@@]12CCN(Cc1nccs1)C2
214177316	ZINC000278474128	high	7.16	-12.56	0	323.44	2.768	1	3	5	O=C(NCCc1cccc2cccnc12)C1CCN(C2CC2)CC1
342083776	ZINC000625338327	ref	5.79	-55.38	1	297.443	1.385	2	2	5	CC[C@H]1CN(C(C)=O)CC[C@H]1[NH2+]CC(=O)NCC(C)(C)C
342083777	ZINC000625339656	ref	5.68	-10.37	0	264.358	1.042	0	7	4	c1ncn(CC2CCN(Cc3cnns3)CC2)n1
342083778	ZINC000625339656	mid	8.04	-49.76	1	264.358	1.042	1	6	4	c1ncn(CC2CC[NH+](Cc3cnns3)CC2)n1
342083779	ZINC000625339262	ref	3.38	-12.36	0	269.382	1.861	1	3	11	CCC[C@@H](CNS(=O)(=O)CCCCF)OCC
342083780	ZINC000625338613	ref	2.88	-9.88	0	250.224	1.21	1	3	2	CN(C)C(=O)NCc1c(C(F)(F)F)cnn1C
342083781	ZINC000625339077	ref	3.9	-9.3	0	290.335	1.993	0	3	2	C[C@@H]1CN(S(=O)(=O)c2ccncc2)C[C@@H](C)C1(F)F
214177307	ZINC000293475770	ref	3.19	-11.29	0	374.449	0.465	2	8	8	CCn1nc(C)c(C(=O)NC[C@H](NC(=O)c2nn(CC)nc2C)C2CC2)n1
178293904	ZINC000237023477	mid	7.81	-18.13	0	365.437	1.621	2	6	7	CCn1cc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)ccc1=O
178293906	ZINC000237023477	low	8.67	-133.59	2	365.437	1.621	2	4	7	CCn1cc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)ccc1=O
342599017	ZINC000616987538	ref	2.33	-21.74	0	296.175	1.654	1	3	4	CS(=O)(=O)CC(=O)NCc1cc(Cl)cc(Cl)c1
185090386	ZINC000096075943	mid	0.18	-4.35	0	267.398	1.44	0	5	5	COCCN1CC[C@@]12CCN(Cc1nccs1)C2
178293908	ZINC000237028535	ref	7.7	-46.48	1	352.523	1.912	2	2	6	CC[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)NCC(C)C)C2)CC1
214177312	ZINC000293476197	ref	7.42	-23.55	0	360.389	0.329	1	6	5	Cn1c(=O)ccn(CC(=O)NC[C@H]2CCN(c3ccccc3F)C2)c1=O
178293909	ZINC000237034509	ref	5.06	-51.63	1	364.534	1.439	1	3	4	CN(C(=O)CN1CCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1)C1CCCCC1
178293911	ZINC000237030323	ref	9.91	-102.55	2	372.513	1.104	1	3	5	CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1
214177319	ZINC000293487487	ref	7.04	-50.97	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO
214177324	ZINC000293487487	mid	6.58	-48.88	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO
178293913	ZINC000237030323	mid	9.94	-101.89	2	372.513	1.104	1	4	5	CCN(CC)C(=O)CN1CCCN(C(=O)[C@H]2Cc3ccccc3CN2)CC1
178305591	ZINC000019404327	ref	7.69	-47.64	1	243.354	3.096	1	2	1	Cc1cc2ncn([C@H]3CCCC[C@@H]3[NH3+])c2cc1C
214177328	ZINC000293487487	high	4.81	-16.87	0	370.453	0.633	2	6	7	O=C(CCn1cnccc1=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO
300270402	ZINC000271039947	ref	3.86	-5.09	0	252.333	2.112	0	3	3	C[C@H]1CN(Cc2ccc(N(C)C)c(F)c2)CCO1
214177332	ZINC000293482251	ref	4.48	-11.37	0	351.403	0.612	2	6	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1c(C)cc(N(C)C)cc1C)OC
214177336	ZINC000293475904	ref	1.69	-14.47	0	354.428	0.878	2	5	6	CO[C@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C)C1CC1
259308798	ZINC000020565760	ref	7.57	-1.98	0	211.736	4.187	1	1	4	CC(C)C[C@@H](C)Nc1ccccc1Cl
185090387	ZINC000096075945	ref	4.2	-34.11	1	278.4	1.025	1	4	5	COCC[N@@H+]1CC[C@]12CCN(Cc1cc(C)n(C)n1)C2
349535983	ZINC000258932404	mid	3.53	-45.22	1	248.326	1.427	2	3	4	N[C@@H]1CCC[C@H]1[NH2+]CCc1ccc2c(c1)OCO2
214177321	ZINC000278474945	ref	2.95	-6.98	0	307.169	1.505	1	5	3	COC(=O)[C@@H](C)NC(=O)c1nc(Br)sc1C
290623553	ZINC000045163938	ref	4.0	-10.67	0	310.419	1.918	1	3	3	CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@H]2C)ccc1C
300270413	ZINC000271039947	low	6.11	-41.52	1	252.333	2.112	1	2	3	C[C@H]1C[N@H+](Cc2ccc(N(C)C)c(F)c2)CCO1
365624092	ZINC000576558759	ref	4.54	-9.64	0	233.275	0.555	2	6	5	OC[C@@H](CNc1cncc2nncn12)C1CC1
365624098	ZINC000576581636	ref	-1.01	-15.24	0	241.335	0.097	2	3	5	CC[C@H](C)NC(=O)[C@@H](C)N1CC(C)(C(N)=O)C1
365624102	ZINC000576581636	mid	2.09	-39.94	1	241.335	0.097	3	2	5	CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1
214177329	ZINC000278474800	ref	7.6	-47.7	1	308.447	2.002	1	3	3	C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Cc1ccsc1
214177331	ZINC000278474800	mid	7.41	-47.42	1	308.447	2.002	1	3	3	C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)Cc1ccsc1
185090388	ZINC000096075945	mid	4.22	-35.59	1	278.4	1.025	1	4	5	COCC[N@H+]1CC[C@]12CCN(Cc1cc(C)n(C)n1)C2
342599018	ZINC000590822232	ref	5.35	-12.73	0	280.303	1.693	1	4	3	CCc1noc(C)c1CNC(=O)N1CC[C@@](F)(C#N)C1
214177335	ZINC000278474800	high	5.26	-8.39	0	308.447	2.002	0	4	3	C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cc1ccsc1
214177339	ZINC000278474411	ref	3.07	-17.37	0	311.744	1.605	2	4	5	Cn1nccc1CC(=O)NC[C@H](O)c1ccc(Cl)c(F)c1
214177342	ZINC000278475753	ref	5.41	-18.57	0	306.406	2.899	0	3	5	Cc1nc(F)ccc1CN(C)Cc1ccc([S@](C)=O)cc1
214177345	ZINC000278475753	low	7.35	-62.98	1	306.406	2.899	1	2	5	Cc1nc(F)ccc1C[N@H+](C)Cc1ccc([S@](C)=O)cc1
214177349	ZINC000278475753	low	7.38	-63.51	1	306.406	2.899	1	2	5	Cc1nc(F)ccc1C[N@@H+](C)Cc1ccc([S@](C)=O)cc1
214177351	ZINC000278475597	ref	4.85	-12.47	0	318.358	1.969	0	8	5	COC[C@H](OC(=O)c1ccc2nnn(C)c2c1)c1nccs1
214177355	ZINC000278475786	ref	6.95	-42.27	1	319.434	1.811	2	4	7	C[NH+](C)CCN(Cc1cccs1)C(=O)NCc1cccnn1
342599019	ZINC000590822223	ref	5.81	-48.26	-1	283.335	1.905	1	3	2	Cc1cccc([C@@H](C)NC(=O)N=c2[n-]n(C)cc2C#N)c1
342599020	ZINC000590822223	mid	5.25	-27.21	0	283.335	1.905	2	3	2	Cc1cccc([C@@H](C)NC(=O)N=c2[nH]n(C)cc2C#N)c1
214177359	ZINC000278475786	high	4.42	-11.47	0	319.434	1.811	1	5	7	CN(C)CCN(Cc1cccs1)C(=O)NCc1cccnn1
365624110	ZINC000576555447	ref	6.94	-7.91	0	248.326	4.322	0	4	6	CCCC(CCC)c1nc(-c2ccoc2C)no1
259308801	ZINC000322999764	ref	3.19	-13.94	0	242.348	1.427	2	5	6	CCCc1nsc(N[C@H](C)CC(=O)NC)n1
398246835	ZINC000651453766	ref	9.23	-10.72	0	270.376	3.4	1	1	1	Cc1ccc2c(c1)N(C(=O)NC1CC3(CCC3)C1)CC2
185090389	ZINC000096075945	high	1.21	-7.88	0	278.4	1.025	0	5	5	COCCN1CC[C@]12CCN(Cc1cc(C)n(C)n1)C2
365624093	ZINC000625040832	ref	5.53	-10.08	0	320.418	2.076	0	5	3	C[C@H]1CC[C@@H](C)CN1S(=O)(=O)c1cnnn1-c1ccccc1
214177322	ZINC000053326826	ref	5.63	-14.22	0	343.196	2.215	1	2	3	CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(F)cc1Br
214177327	ZINC000053333047	ref	7.14	-16.04	0	347.436	3.268	0	4	5	CN(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CCCC1
185090390	ZINC000096078495	ref	2.78	-46.17	1	278.356	0.592	2	5	3	Cc1ccc(NC[C@@H]2CO[C@]3(C[NH2+]CCOC3)C2)nn1
185090391	ZINC000096078463	ref	4.47	-44.4	1	264.329	0.284	2	5	3	c1cnc(NC[C@@H]2CO[C@@]3(C[NH2+]CCOC3)C2)nc1
365624096	ZINC000625041729	ref	5.64	-14.22	0	306.41	2.099	1	4	2	CCn1ncc2c1CCC[C@H]2NC(=O)N1C[C@H](C)O[C@H](C)C1
214177333	ZINC000053328021	ref	6.24	-14.86	0	332.4	2.194	1	4	4	CC(=O)Nc1ccccc1OCC(=O)N1CCO[C@H]2CCCC[C@@H]21
214177338	ZINC000053355639	ref	6.0	-13.84	0	342.342	1.991	0	4	4	COc1cc(C(=O)N2CCCN(C(C)=O)CC2)ccc1OC(F)F
214177343	ZINC000053355360	ref	9.4	-22.24	0	327.428	2.571	1	2	4	CC(=O)N1CCCN(C(=O)CCCc2c[nH]c3ccccc23)CC1
365624103	ZINC000625040934	ref	7.33	-19.02	0	307.438	2.217	1	2	2	C[C@H]1CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC(C)(C)C1
365624106	ZINC000625040140	ref	7.31	-20.03	0	321.446	2.351	1	3	4	Cc1ccc(CN(C)C(=O)N[C@@H]2CCN(C3CCC3)C2=O)s1
365624111	ZINC000625041120	ref	5.16	-12.07	0	307.419	2.199	1	4	5	Cc1ncc(S(=O)(=O)N[C@H](C)[C@H](C)c2ccccc2)n1C
365624114	ZINC000625040424	ref	7.05	-18.39	0	307.438	2.216	1	2	2	C[C@H]1C[C@@H](C)CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@H]1C
214177347	ZINC000053340553	ref	4.62	-14.5	0	344.44	2.19	1	5	3	Cc1nc(C)c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)s1
398246837	ZINC000651454049	ref	8.52	-7.48	0	262.397	3.293	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]1C1CCC1
342599021	ZINC000616990904	ref	5.64	-43.46	1	292.427	1.806	3	2	4	Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365624120	ZINC000625041494	ref	6.19	-13.14	0	312.454	2.394	2	3	10	CCC[C@@H](OCC)C(=O)NCCNC(=O)CC1CCCCC1
178293916	ZINC000095922464	ref	7.74	-10.26	0	200.285	3.16	0	2	0	Cc1cc2c3c(c1)nc(C)n3[C@H](C)CC2
365624123	ZINC000625041106	ref	3.76	-11.93	0	321.389	2.242	1	3	8	COCCC(C)(C)NS(=O)(=O)CCc1c(F)cccc1F
282120587	ZINC000151600581	ref	6.27	-14.4	0	312.454	2.489	1	3	7	CC(=O)NCCCCCC(=O)N1CCC(OC(C)(C)C)CC1
282120603	ZINC000151601371	ref	4.8	-15.53	0	318.417	2.016	2	3	9	COCCC1(C(=O)NCCC(=O)NCc2ccccc2)CCC1
282120615	ZINC000151592142	ref	4.92	-7.48	0	307.394	2.201	1	5	8	COC[C@H](NC(=O)CCc1nc(C2CCCC2)no1)C1CC1
365624117	ZINC000576560913	ref	2.98	-8.51	0	243.332	0.839	0	4	4	C[C@@H](C1CC1)N(C)S(=O)(=O)c1ccnn1C
342599022	ZINC000616990904	mid	5.63	-44.14	1	292.427	1.806	3	2	4	Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365624122	ZINC000576557104	ref	1.24	-13.56	0	211.265	0.461	2	4	4	CC(C)n1ccc(CNC(=O)[C@H](C)O)n1
365624130	ZINC000576552724	ref	5.48	-9.24	0	237.303	2.176	1	3	4	C[C@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccon1
342599023	ZINC000590822520	ref	4.01	-51.48	-1	291.355	1.183	1	4	3	CCO[C@@H]1CCCC[C@H]1NC(=O)N=c1[n-]n(C)cc1C#N
342599024	ZINC000590822520	mid	3.76	-27.81	0	291.355	1.183	2	4	3	CCO[C@@H]1CCCC[C@H]1NC(=O)N=c1[nH]n(C)cc1C#N
342599025	ZINC000590823239	ref	4.37	-13.57	0	269.32	1.593	1	3	4	COC1(CCNC(=O)N2CC[C@](F)(C#N)C2)CCC1
365624139	ZINC000576556017	ref	4.79	-6.66	0	236.315	3.299	0	4	4	CC[C@](C)(OC)c1noc(C=C2CCCC2)n1
365624145	ZINC000576562240	ref	7.07	-14.25	0	247.342	1.992	2	2	3	CC(C)(C(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1c[nH]cn1
197598376	ZINC000290108567	ref	2.44	-8.39	0	297.786	2.716	3	3	4	Cc1cc(NC(=O)N[C@H](CO)C2CCCC2)cnc1Cl
342599026	ZINC000616986924	ref	0.86	-47.86	-1	283.291	1.031	2	4	4	O=C(NCCc1cccc2cccnc12)c1n[nH]c(=O)[n-]1
365624154	ZINC000576562240	mid	6.5	-10.4	0	247.342	1.992	2	2	3	CC(C)(C(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1cnc[nH]1
365624157	ZINC000576562240	low	6.96	-33.5	1	247.342	1.992	2	1	3	CC(C)(C(=O)N[C@H]1CCC[C@@H]2C[C@H]12)c1c[nH]c[nH+]1
365624164	ZINC000576561060	ref	3.38	-10.42	0	238.291	0.815	1	5	3	CC(C)[C@@H]1OCC[C@@H]1C(=O)Nc1cn(C)nn1
342599027	ZINC000616991073	ref	6.61	-46.31	1	268.401	1.982	2	2	6	CC(=O)CCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
282120622	ZINC000151604258	ref	7.49	-16.16	0	300.402	2.39	1	2	4	CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCC[C@@H]2C(N)=O)cc1
282120630	ZINC000151586227	ref	6.73	-19.44	0	313.336	2.283	2	4	5	Cc1cc(CC(=O)Nc2ccnn2Cc2ccc(F)cc2)[nH]n1
365624172	ZINC000576581906	ref	2.48	-44.55	1	226.32	0.527	2	2	3	C[C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH2+]C2)CCO1
342599028	ZINC000616991073	mid	6.54	-45.8	1	268.401	1.982	2	2	6	CC(=O)CCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599029	ZINC000590822178	ref	5.45	-47.04	-1	275.356	1.804	1	3	1	C[C@@H]1CCCC[C@]1(C)NC(=O)N=c1[n-]n(C)cc1C#N
343994502	ZINC000599271238	ref	9.48	-16.8	0	297.362	1.994	1	5	6	CC(C)C[C@H](C#N)NC(=O)c1cccc(Cn2cncn2)c1
349533285	ZINC000618806757	ref	6.66	-21.27	0	294.305	1.603	0	4	4	Cc1cc(F)c(CC(=O)N(C)Cc2cn(C)nn2)cc1F
349533290	ZINC000618810135	ref	4.34	-9.11	0	253.305	1.959	0	4	2	N#C[C@@H]1CN(Cc2ccc3cnccc3c2)CCO1
178293914	ZINC000237030323	low	9.91	-102.55	2	372.513	1.104	2	2	5	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1
343994508	ZINC000599273092	ref	7.05	-8.13	0	297.395	1.846	0	4	5	COC(=O)[C@H](C)CN(C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C)C1CC1
343994512	ZINC000599272419	ref	4.21	-48.72	1	296.411	1.557	2	4	4	C[C@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
178293915	ZINC000237030323	low	9.94	-101.89	2	372.513	1.104	2	2	5	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1
349533296	ZINC000618807588	ref	6.06	-8.57	0	264.373	1.99	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCCCC1(C)C
343994514	ZINC000599272419	mid	4.16	-47.43	1	296.411	1.557	2	4	4	C[C@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
349533301	ZINC000618806905	ref	3.35	-22.74	0	260.297	1.101	1	5	3	Cc1ccc(C(=O)N(C)Cc2cn(C)nn2)c(O)c1
349533302	ZINC000618806905	high	4.22	-76.15	-1	260.297	1.101	0	5	3	Cc1ccc(C(=O)N(C)Cc2cn(C)nn2)c([O-])c1
349533309	ZINC000618808565	ref	3.58	-12.9	0	254.677	1.334	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ccoc1Cl
412491649	ZINC000627799332	ref	0.21	-25.2	0	312.351	-0.082	2	6	5	CN(CC(=O)NCc1ccc2c(N)noc2c1)S(C)(=O)=O
412491651	ZINC000420318150	ref	5.47	-43.96	1	315.381	0.032	3	7	6	COc1ccccc1Nc1nc(N)nc(CN(C)C2C[NH2+]C2)n1
412491654	ZINC000426406031	ref	4.96	-13.08	0	319.369	-0.165	2	9	7	COCCn1cnnc1CNc1cc([C@H]2CCOC2)nc(N)n1
230234928	ZINC000334198837	ref	-0.69	-13.86	0	259.331	-1.006	3	4	2	CNC(=O)NC1CN(C(=O)[C@]2(O)CCSC2)C1
230234938	ZINC000336708677	ref	-1.59	-18.59	0	258.303	-1.151	1	5	2	Cc1c(S(=O)(=O)N2CCNC(=O)C2)cnn1C
230234965	ZINC000336694840	ref	-1.24	-10.48	0	257.29	-1.067	2	4	3	O=C(NCC(=O)N1CCOCC1)N[C@@H]1CCOC1
230234980	ZINC000336814611	ref	0.88	-39.41	1	274.317	-1.122	3	5	7	CCOC(=O)COCC[N@@H+]1CCC[C@](O)(C(N)=O)C1
230234984	ZINC000336814611	mid	0.51	-41.07	1	274.317	-1.122	3	5	7	CCOC(=O)COCC[N@H+]1CCC[C@](O)(C(N)=O)C1
230234989	ZINC000336814611	high	-1.54	-17.63	0	274.317	-1.122	2	6	7	CCOC(=O)COCCN1CCC[C@](O)(C(N)=O)C1
230234993	ZINC000336694846	ref	-1.24	-10.58	0	257.29	-1.067	2	4	3	O=C(NCC(=O)N1CCOCC1)N[C@H]1CCOC1
365624119	ZINC000274327681	ref	4.67	-12.95	0	279.384	1.797	2	2	4	CN1C[C@@H](NC(=O)NCCC2=CCCCCC2)CC1=O
370645356	ZINC000566200172	low	5.69	-113.0	2	293.436	1.261	2	2	3	Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+]
214177334	ZINC000337604279	ref	1.91	-44.5	1	293.367	0.563	4	3	8	O=C(NCC[NH+]1CCC1)NCc1ccccc1OCCO
365624126	ZINC000637717868	ref	7.32	-43.65	1	295.427	1.68	2	2	4	C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)C1
214177337	ZINC000337604279	mid	-1.28	-13.66	0	293.367	0.563	3	4	8	O=C(NCCN1CCC1)NCc1ccccc1OCCO
214177340	ZINC000337605437	ref	1.28	-15.15	0	255.318	0.084	2	3	3	CC(C)N1C[C@H](NC(=O)N[C@H]2CCOC2)CC1=O
214177344	ZINC000337603921	ref	0.49	-14.47	0	295.401	-0.085	1	5	10	CC(C)CS(=O)(=O)CCC(=O)N(C)CCOCCO
214177346	ZINC000337602112	ref	2.25	-11.23	0	271.361	0.41	2	3	4	C[C@H](NC(=O)N(C)CC1(O)CCCC1)C(=O)N(C)C
214177350	ZINC000337605888	ref	0.95	-15.43	0	282.315	0.63	2	4	5	CN(C)c1ccc(C(=O)NCC2(CO)COC2)c(F)c1
214177354	ZINC000337603849	ref	7.8	-38.02	1	279.428	2.349	3	1	4	C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1C
342599030	ZINC000590822178	mid	4.75	-23.07	0	275.356	1.804	2	3	1	C[C@@H]1CCCC[C@]1(C)NC(=O)N=c1[nH]n(C)cc1C#N
214177357	ZINC000337603849	mid	7.42	-38.47	1	279.428	2.349	3	1	4	C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@H+]1C
370645362	ZINC000566200172	low	6.18	-112.56	2	293.436	1.261	2	2	3	Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+]
178293917	ZINC000237027067	ref	9.47	-61.62	-1	352.456	1.852	0	5	7	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)CCCc1cccs1
365624132	ZINC000637717868	high	4.91	-9.11	0	295.427	1.68	1	3	4	CN(C)[C@@H]1CCN(C(=O)N[C@H](C2CCC2)[C@@H]2CCCO2)C1
365624136	ZINC000274326908	ref	2.87	-9.7	0	266.249	1.37	0	6	5	O=Cc1cc2c(cc1OCCC1OCCO1)OCO2
370645365	ZINC000566200172	high	4.1	-4.92	0	293.436	1.261	1	4	3	Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCN(C)C[C@@H]1CN
365624146	ZINC000274326801	ref	3.59	-10.8	0	251.33	1.732	2	3	4	CC(C)O[C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1(C)C
214177360	ZINC000337603849	high	5.5	-6.96	0	279.428	2.349	2	2	4	C[C@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CCN1C
214177363	ZINC000337605104	ref	3.61	-9.6	0	282.34	0.88	1	5	6	C[C@@H]1CCc2onc(C(=O)N(C)CCOCCO)c2C1
259308803	ZINC000306284253	ref	7.14	-2.32	0	234.151	4.057	0	2	3	C/C=C/CSc1ncc(Cl)cc1Cl
365624153	ZINC000353180725	ref	3.98	-54.44	1	292.379	1.33	2	3	6	CCO[C@H]1COCC[C@H]1[NH2+]Cc1ccc(C(=O)NC)cc1
282120589	ZINC000341635061	ref	5.8	-43.23	1	334.424	-0.43	2	5	1	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C)CC2
178293918	ZINC000095922464	mid	8.18	-24.85	1	200.285	3.16	0	1	0	Cc1cc2c3c(c1)[nH+]c(C)n3[C@H](C)CC2
178293919	ZINC000028524674	ref	7.8	-11.96	0	229.304	3.062	0	3	0	Cc1cc2c3sc(=O)ccc3ccc2n1C
185090392	ZINC000096075206	ref	11.26	-101.12	2	272.436	3.179	2	0	4	CC[N@@H+]1CCCC12CC[NH+](CCc1ccccc1)CC2
282120598	ZINC000341635061	mid	5.49	-44.66	1	334.424	-0.43	2	5	1	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)CC2
185090393	ZINC000096075206	mid	11.28	-101.1	2	272.436	3.179	2	0	4	CC[N@H+]1CCCC12CC[NH+](CCc1ccccc1)CC2
349533286	ZINC000621482334	ref	6.09	-20.64	0	259.353	3.07	1	2	2	C[C@@H](N(C)C(=O)c1c[nH]c2cccnc12)C(C)(C)C
178293922	ZINC000353134336	ref	8.42	-39.52	1	242.366	3.755	2	0	3	Cc1cc2cc(C[NH2+][C@@H]3CC[C@@H](C)C3)ccc2[nH]1
178293924	ZINC000133782157	ref	1.89	-9.34	0	233.267	1.772	2	3	3	Cc1cc2cc(C(=O)NCCO)oc2cc1C
178293927	ZINC000011985169	ref	6.79	-7.49	0	216.671	3.377	0	2	0	Cc1cc2cc(C#N)c(Cl)nc2cc1C
282120600	ZINC000341635061	mid	3.7	-11.94	0	334.424	-0.43	1	6	1	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C)CC[C@@H]1C)CC2
342599031	ZINC000590822355	ref	3.95	-49.79	-1	291.355	1.042	1	4	4	COCC1(CNC(=O)N=c2[n-]n(C)cc2C#N)CCCC1
168365343	ZINC000368503660	ref	8.67	-10.51	0	349.858	3.238	0	3	3	CO[C@@H]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@H]2C1
365624128	ZINC000625039941	ref	7.52	-15.6	0	308.328	2.186	0	2	2	C[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1
185090394	ZINC000096075206	mid	8.9	-31.09	1	272.436	3.179	1	1	4	CC[N@@H+]1CCCC12CCN(CCc1ccccc1)CC2
365624133	ZINC000625040425	ref	7.11	-17.91	0	307.438	2.216	1	2	2	C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@@H]1C
365624138	ZINC000625039020	ref	8.09	-11.49	0	311.385	2.351	0	4	2	Cc1ccccc1[C@@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1
185090395	ZINC000096075206	mid	8.91	-31.14	1	272.436	3.179	1	1	4	CC[N@H+]1CCCC12CCN(CCc1ccccc1)CC2
365624143	ZINC000625040844	ref	5.66	-10.45	0	319.327	2.321	1	4	5	COCC[C@@H](C)NC(=O)[C@@H]1CCCn2cc(C(F)(F)F)nc21
365624147	ZINC000625038484	ref	6.21	-8.2	0	318.461	2.401	1	3	6	Cc1ccccc1C[C@@H](C)C(=O)NCCN1CCOC(C)(C)C1
365624151	ZINC000625038484	low	8.15	-43.58	1	318.461	2.401	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1
214177341	ZINC000293477517	ref	1.54	-16.15	0	360.461	0.713	1	6	3	CN(C(=O)Nc1nc2c(s1)COCC2)[C@@H]1CCN(S(C)(=O)=O)C1
214177348	ZINC000293487054	ref	1.03	-22.45	0	358.416	0.921	2	6	7	COC(=O)C1(CS(=O)(=O)NCc2ccc(C(N)=O)o2)CCCCC1
365624137	ZINC000617389464	ref	4.36	-8.01	0	264.329	0.939	0	5	3	CCn1nncc1C(=O)N1CCO[C@](C)(C2CC2)C1
214177352	ZINC000293487054	high	0.64	-46.33	-1	358.416	0.921	1	6	7	COC(=O)C1(CS(=O)(=O)[N-]Cc2ccc(C(N)=O)o2)CCCCC1
282120596	ZINC000533445792	mid	6.75	-49.98	1	289.383	1.609	1	5	6	Cc1noc(CCC[N@@H+]2CC[C@H](Cc3cnn(C)c3)C2)n1
214177356	ZINC000293481937	ref	4.73	-23.3	0	373.413	0.207	2	7	5	Cn1cnn(CCC(=O)Nc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1=O
185090396	ZINC000096078914	ref	10.11	-36.67	1	270.376	2.407	1	1	2	C[NH+]1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12
214177362	ZINC000293482027	ref	0.68	-28.47	0	354.432	0.0	3	4	4	C[C@H]1CCNC(=O)[C@H]1NC(=O)N(C)Cc1ccccc1S(N)(=O)=O
185090397	ZINC000096078914	high	7.72	-6.66	0	270.376	2.407	0	2	2	CN1CCC2(CC1)C(=O)N(CC1CC1)c1ccccc12
214177367	ZINC000293487483	ref	6.59	-49.65	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO
282120602	ZINC000533446463	ref	5.98	-18.69	0	291.311	1.252	2	6	7	CC(C)COc1cccc(OCC(=O)Nc2nn[nH]n2)c1
282120607	ZINC000533446463	mid	6.05	-50.08	-1	291.311	1.252	1	6	7	CC(C)COc1cccc(OCC(=O)Nc2nnn[n-]2)c1
282120611	ZINC000533446463	mid	6.04	-50.0	-1	291.311	1.252	1	6	7	CC(C)COc1cccc(OCC(=O)Nc2nn[n-]n2)c1
342599032	ZINC000590822355	mid	3.31	-28.62	0	291.355	1.042	2	4	4	COCC1(CNC(=O)N=c2[nH]n(C)cc2C#N)CCCC1
214177370	ZINC000293487483	mid	7.04	-53.99	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO
185090400	ZINC000096076029	ref	5.46	-38.93	1	277.437	2.512	1	3	4	Cc1nc(CN2CC[C@@]23CC[N@H+](CC2CC2)C3)cs1
185090401	ZINC000096076029	mid	5.61	-38.35	1	277.437	2.512	1	3	4	Cc1nc(CN2CC[C@@]23CC[N@@H+](CC2CC2)C3)cs1
185090402	ZINC000096075914	ref	7.78	-42.46	1	298.39	1.884	1	3	2	CC[N@@H+]1CC[C@]12CCN(C(=O)c1nn(C)c3ccccc13)C2
185090403	ZINC000096075914	mid	7.84	-41.26	1	298.39	1.884	1	3	2	CC[N@H+]1CC[C@]12CCN(C(=O)c1nn(C)c3ccccc13)C2
185090404	ZINC000096075914	high	4.68	-12.57	0	298.39	1.884	0	4	2	CCN1CC[C@]12CCN(C(=O)c1nn(C)c3ccccc13)C2
185090405	ZINC000096075810	ref	3.73	-13.14	0	276.336	1.909	2	3	2	Cc1occc1C(=O)NC1CCC2(CCC(=O)N2)CC1
282120597	ZINC000248957714	mid	4.72	-35.95	1	300.443	1.089	3	3	8	C[C@H](O)C[N@@H+](CC(=O)N(C)CC1CCCCC1)[C@H](C)CO
282120601	ZINC000248957714	mid	2.67	-10.01	0	300.443	1.089	2	4	8	C[C@H](O)CN(CC(=O)N(C)CC1CCCCC1)[C@H](C)CO
178293920	ZINC000237037884	ref	4.79	-49.53	1	367.515	1.755	2	3	7	CCNS(=O)(=O)c1ccc(C)c(C(=O)N2CCC(C[NH2+]CC)CC2)c1
282120606	ZINC000248955563	ref	1.68	-14.27	0	304.437	1.652	1	5	5	Cc1csc([C@H](C)CNS(=O)(=O)[C@H]2CCO[C@H]2C)n1
214177353	ZINC000053338323	ref	6.87	-12.54	0	338.329	3.256	0	3	3	O=C(c1cccc(C(F)(F)F)c1)N1CCN(Cc2ccco2)CC1
178293921	ZINC000237025062	ref	3.37	-53.51	1	359.517	1.263	2	4	7	CC[NH2+]CC1CCN(C(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1
185090409	ZINC000096075996	ref	7.88	-44.39	1	274.368	1.12	1	3	3	Cn1cncc1C(=O)N1CC[C@@]2(CC[N@@H+]2CC2CC2)C1
365624140	ZINC000172835633	ref	7.6	-55.42	1	277.368	1.266	1	2	4	CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccc[n+]([O-])c1
178293923	ZINC000237025062	high	3.17	-76.2	0	359.517	1.263	1	4	7	CC[NH2+]CC1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2cccs2)CC1
214177358	ZINC000053338323	low	9.09	-51.35	1	338.329	3.256	1	2	3	O=C(c1cccc(C(F)(F)F)c1)N1CC[NH+](Cc2ccco2)CC1
178293925	ZINC000237023386	ref	4.97	-64.53	1	355.442	1.853	2	4	5	CCn1cc(NC(=O)C2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)cn1
214177364	ZINC000053326470	ref	9.8	-19.24	0	346.391	2.179	1	7	5	Cc1cc(NC(=O)CSc2nncn2C)n(-c2ccccc2F)n1
214177368	ZINC000053339101	ref	6.57	-21.66	0	331.199	2.109	1	3	4	CNC(=O)[C@@H]1CCCN1C(=O)COc1ccc(Cl)c(Cl)c1
185090410	ZINC000096075996	mid	7.97	-43.14	1	274.368	1.12	1	3	3	Cn1cncc1C(=O)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1
398246836	ZINC000336778983	ref	2.24	-36.76	1	226.364	1.077	2	2	3	C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O
214177377	ZINC000053339425	ref	8.03	-15.92	0	342.38	2.831	1	6	6	O=C(NCc1cnn(Cc2ccccc2)c1)c1csc([N+](=O)[O-])c1
214177387	ZINC000053327172	ref	3.38	-13.18	0	326.274	2.569	2	3	4	C[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(N)=O
365624149	ZINC000172835633	mid	7.43	-54.44	1	277.368	1.266	1	2	4	CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccc[n+]([O-])c1
214177393	ZINC000053344254	ref	6.72	-90.04	2	346.338	2.626	2	2	6	CN(CC[NH2+]Cc1cc(Br)cs1)C1CC[NH+](C)CC1
398246839	ZINC000336778983	low	4.94	-107.55	2	226.364	1.077	3	1	3	C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O
214177361	ZINC000278474545	ref	5.41	-17.0	0	300.362	2.142	2	5	4	CC(C)(O)CON=c1nc(-c2cccnc2)[nH]c2c1CCC2
214177366	ZINC000278473807	ref	5.47	-9.47	0	303.387	2.323	2	4	3	Cc1cc(C)nc(NC(=O)C(=O)NCc2sccc2C)c1
342083782	ZINC000625339747	ref	4.34	-9.57	0	298.427	1.249	1	4	6	CCC[C@H](OCC)C(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
214177375	ZINC000278473597	ref	11.27	-10.93	0	310.405	2.403	1	6	5	CC[C@@H](Cc1ccccc1)N(C)c1nc(N)c2cnn(C)c2n1
365624141	ZINC000617390031	ref	3.28	-15.08	0	280.368	0.93	1	3	2	C[C@]1(C(=O)N2CCO[C@@](C)(C3CC3)C2)CCC(=O)NC1
365624148	ZINC000617390496	ref	2.62	-15.58	0	292.335	0.949	1	4	4	C[C@]1(C2CC2)CN(C(=O)c2ccoc2CC(N)=O)CCO1
214177378	ZINC000278473597	low	11.62	-33.95	1	310.405	2.403	1	5	5	CC[C@@H](Cc1ccccc1)N(C)c1nc2c(cnn2C)c(N)[nH+]1
365624161	ZINC000617390268	ref	6.32	-16.63	0	293.367	0.964	0	5	5	Cn1nccc1COCC(=O)N1CCO[C@](C)(C2CC2)C1
178305594	ZINC000019404327	low	8.17	-105.69	2	243.354	3.096	1	1	1	Cc1cc2[nH+]cn([C@H]3CCCC[C@@H]3[NH3+])c2cc1C
365624169	ZINC000617390421	ref	3.43	-9.04	0	287.381	0.591	0	4	3	C[C@@]1(C2CC2)CN(C(=O)C2(S(C)(=O)=O)CC2)CCO1
214177381	ZINC000278474734	ref	9.49	-44.67	1	318.486	3.083	1	2	5	O=C([C@@H]([NH2+]C[C@@H]1CCSC1)c1ccccc1)N1CCCCC1
214177382	ZINC000278474734	high	8.52	-9.69	0	318.486	3.083	1	3	5	O=C([C@@H](NC[C@@H]1CCSC1)c1ccccc1)N1CCCCC1
214177383	ZINC000278473783	ref	5.63	-12.57	0	324.396	2.653	0	4	7	COCCC[C@@H](C)C(=O)N1CCC(Oc2ncccc2F)CC1
214177384	ZINC000278475379	ref	10.25	-9.21	0	324.808	3.073	0	4	5	CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cccc(Cl)n1
214177386	ZINC000278475107	ref	6.35	-14.47	0	315.373	1.328	1	5	4	C[C@@H]1COCC[C@H]1NC(=O)CCn1cnc2ccccc2c1=O
214177389	ZINC000278475102	ref	6.35	-14.7	0	315.373	1.328	1	5	4	C[C@H]1COCC[C@@H]1NC(=O)CCn1cnc2ccccc2c1=O
342083783	ZINC000625339747	mid	6.34	-43.22	1	298.427	1.249	2	3	6	CCC[C@H](OCC)C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
342083784	ZINC000625338404	ref	1.67	-9.83	0	261.343	1.763	1	4	8	CCC[C@@H](CNS(=O)(=O)c1ccoc1)OCC
342083785	ZINC000625340009	ref	2.3	-12.03	0	275.399	1.208	1	4	6	C[C@H](C1CC1)N(C)S(=O)(=O)NCc1ccns1
342083786	ZINC000625339050	ref	6.24	-16.78	0	286.375	1.876	1	2	2	C[C@@H](C(=O)N1CCCc2ccccc2C1)[C@@H]1CCC(=O)N1
342083787	ZINC000625339941	ref	1.66	-9.27	0	286.397	1.752	2	4	8	CCC[C@@H](CNS(=O)(=O)c1cccc(N)c1)OCC
214177365	ZINC000337603513	ref	7.7	-9.08	0	299.365	3.422	0	3	4	CC[C@@H](C)n1ncc(C(=O)N2CCCC[C@@H]2C(F)F)c1C
178293926	ZINC000237027912	ref	5.73	-40.24	1	358.486	1.474	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1
178293928	ZINC000237027912	high	4.42	-13.71	0	358.486	1.474	2	4	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CCCCN2)CC1
178293930	ZINC000237019771	ref	2.79	-46.01	1	350.282	1.403	2	3	7	CC[NH2+]CCNS(=O)(=O)c1cc(N(C)C)ccc1Br
178293931	ZINC000237030170	ref	9.99	-100.58	2	372.513	1.104	1	3	5	CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1
365624144	ZINC000336543912	ref	5.23	-47.55	1	290.342	2.256	2	3	3	CC(C)n1cc2cc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)ccc2n1
365624152	ZINC000336543912	mid	3.85	-14.07	0	290.342	2.256	2	4	3	CC(C)n1cc2cc(NC(=O)[C@H]3C[C@H](F)CN3)ccc2n1
365624158	ZINC000336544017	ref	6.57	-13.64	0	296.367	2.403	0	3	3	N#Cc1ccc(CS(=O)(=O)N2CCCCCC2)c(F)c1
365624167	ZINC000336544476	ref	5.18	-10.17	0	280.343	2.139	0	3	3	COc1ccc(F)c(N2CCN(C(=O)C(C)C)CC2)c1
365624171	ZINC000336544138	ref	9.4	-7.73	0	269.348	2.49	0	3	2	CCn1ccnc1C(=O)N1Cc2ccccc2C[C@H]1C
365624178	ZINC000336544325	ref	6.88	-9.76	0	276.38	2.222	0	3	2	Cc1ccc(C(=O)N2CCC[C@@H]([C@H]3CCOC3)C2)n1C
365624184	ZINC000336544006	ref	3.84	-13.58	0	296.342	2.459	2	3	2	COc1cccc(F)c1NC(=O)N1CC[C@H](O)C(C)(C)C1
365624194	ZINC000336543600	ref	4.2	-15.39	0	298.745	2.042	2	2	2	Cc1c(F)ccc(Cl)c1C(=O)N[C@H]1C(=O)NCC[C@H]1C
365624202	ZINC000336543860	ref	5.26	-11.41	0	293.411	2.107	1	4	3	Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@](C)(O)C(C)C
365624208	ZINC000336543857	ref	4.88	-11.06	0	293.411	2.107	1	4	3	Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@](C)(O)C(C)C
178293933	ZINC000237030170	mid	9.87	-102.4	2	372.513	1.104	1	4	5	CCN(CC)C(=O)CN1CCCN(C(=O)[C@@H]2Cc3ccccc3CN2)CC1
178293934	ZINC000237030170	low	9.99	-100.58	2	372.513	1.104	2	2	5	CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1
178305599	ZINC000038478269	ref	8.57	-48.13	1	243.354	2.653	1	2	2	Cc1cc2ncn(CC3CC[NH2+]CC3)c2cc1C
185090411	ZINC000096075996	high	4.93	-9.18	0	274.368	1.12	0	4	3	Cn1cncc1C(=O)N1CC[C@@]2(CCN2CC2CC2)C1
185386282	ZINC000096752999	ref	5.63	-13.94	0	300.305	3.134	1	3	4	O=C(NCCc1ccccc1)c1scnc1C(F)(F)F
365624213	ZINC000336543893	ref	6.06	-9.51	0	263.337	2.477	0	3	2	Cc1ccc(C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)o1
178293929	ZINC000092046901	ref	2.59	-11.42	0	247.25	1.49	1	4	1	Cc1cc2cc(C(=O)N3C[C@@H](O)CO3)ccc2o1
282120599	ZINC000449150067	ref	5.6	-41.98	1	282.428	2.225	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)C1
282120604	ZINC000449150115	ref	5.53	-100.61	2	298.471	2.018	3	2	9	COCC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1
342083788	ZINC000625339534	ref	2.73	-7.01	0	296.333	1.49	1	3	5	CC[C@H](O)CN1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
178293932	ZINC000355701910	ref	3.68	-20.13	0	241.254	1.847	3	3	2	Cc1cc2c[nH]nc2cc1NC(=O)c1c[nH]cn1
365624155	ZINC000172837818	ref	4.04	-42.58	1	277.372	1.005	2	4	4	CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1nccnc1N
214177369	ZINC000337603932	ref	5.93	-7.8	0	259.296	2.309	1	2	4	O=C(N[C@@H]1CCC[C@@H]1OC(F)F)[C@@H]1[C@H]2CCC[C@H]21
365624163	ZINC000172837818	mid	4.22	-41.48	1	277.372	1.005	2	4	4	CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1nccnc1N
365624168	ZINC000111470767	ref	3.92	-65.75	-1	290.319	1.615	2	4	4	NC(=O)c1ccc(NC(=O)C2CCC(C(=O)[O-])CC2)cc1
178293937	ZINC000285405506	ref	6.23	-41.15	1	244.338	2.743	2	1	3	Cc1cc2cc(C[NH2+][C@H]3CCO[C@H]3C)ccc2[nH]1
342083789	ZINC000625339534	mid	4.98	-44.11	1	296.333	1.49	2	2	5	CC[C@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
365624175	ZINC000158195867	ref	3.32	-54.15	1	294.742	1.252	1	5	4	[NH3+]CCc1cn(Cc2cc(Cl)c3c(c2)OCCO3)nn1
178293943	ZINC000002577918	ref	6.87	-5.43	0	245.631	4.215	0	1	0	Cc1cc2cc(C(F)(F)F)ccc2nc1Cl
365624187	ZINC000111473470	ref	7.8	-63.4	-1	283.368	1.905	0	4	5	CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1
282120610	ZINC000449150115	mid	5.96	-96.15	2	298.471	2.018	3	2	9	COCC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1
398246838	ZINC000651454342	ref	7.69	-11.1	0	274.364	3.459	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]1c1ccco1
214177373	ZINC000337602585	ref	7.16	-12.24	0	289.322	3.041	1	2	4	CSCC(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F
178293948	ZINC000000421648	ref	2.24	-8.57	0	203.241	1.637	2	2	1	Cc1cc2cc(CO)c(=O)[nH]c2cc1C
178293950	ZINC000000421639	ref	3.94	-7.12	0	221.687	2.997	1	2	1	Cc1cc2cc(CO)c(Cl)nc2cc1C
178293952	ZINC000004029772	ref	7.32	-10.28	0	243.306	2.81	0	2	0	Cc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)C2=O
178293954	ZINC000039105053	ref	7.18	-7.93	0	201.269	2.391	0	1	0	Cc1cc2c3c(c1)[C@@H](C)CN3C(=O)CC2
178293956	ZINC000281749118	ref	5.35	-8.18	0	235.258	2.749	1	2	3	Cc1cc2cc(C(=O)NCCF)oc2cc1C
282120613	ZINC000449149690	ref	6.43	-34.54	1	284.444	2.474	2	2	9	CCC[NH2+][C@H](C)C(=O)N[C@H]1C[C@@H](OCC)C1(CC)CC
349533288	ZINC000594965190	low	5.81	-6.42	0	275.371	2.66	2	1	4	CC(C)(C)[N@H+]1CC[C@H]1C[NH2+]Cc1ccc(C#N)c(F)c1
349533292	ZINC000594965190	high	5.81	-6.42	0	275.371	2.66	1	3	4	CC(C)(C)N1CC[C@H]1CNCc1ccc(C#N)c(F)c1
185090414	ZINC000096075913	ref	7.86	-41.26	1	298.39	1.884	1	3	2	CC[N@@H+]1CC[C@@]12CCN(C(=O)c1nn(C)c3ccccc13)C2
214177372	ZINC000293487483	high	4.45	-14.96	0	370.453	0.633	2	6	7	O=C(CCn1cnccc1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO
365624156	ZINC000625038484	low	8.16	-43.58	1	318.461	2.401	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1
349533295	ZINC000594966059	ref	6.9	-52.76	1	269.454	2.989	1	1	3	C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCC3(CC2)CC3)C1
365624162	ZINC000625040705	ref	5.55	-18.01	0	321.808	2.293	2	2	4	O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCN(C2CCC2)C1=O
282120608	ZINC000183878106	high	3.12	-12.96	0	342.461	1.964	2	5	8	CCC(CC)(CN[C@@H](C)c1ccc(S(N)(=O)=O)cc1)C(=O)OC
282120614	ZINC000192700226	ref	8.0	-48.0	1	349.431	2.664	2	5	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(=O)OC
349533300	ZINC000594964537	ref	6.05	-52.42	1	295.448	2.783	1	2	5	COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1C
187169760	ZINC000125101555	ref	9.37	-8.68	0	279.361	3.004	0	5	6	CCOc1cc(C#N)ccc1OC(=O)[C@H](CC)SC
185090415	ZINC000096075913	mid	7.89	-42.43	1	298.39	1.884	1	3	2	CC[N@H+]1CC[C@@]12CCN(C(=O)c1nn(C)c3ccccc13)C2
365624166	ZINC000625039680	ref	6.12	-18.37	0	305.378	2.135	1	3	4	C[C@@H](c1ccco1)N(C)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365624170	ZINC000625040617	ref	6.95	-16.63	0	300.402	2.226	1	2	3	Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)C1
365624174	ZINC000625040931	ref	7.33	-18.33	0	307.438	2.217	1	2	2	C[C@@H]1CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC(C)(C)C1
214177379	ZINC000293477588	ref	0.96	-9.82	0	360.407	0.53	1	6	5	COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c(F)cc1C
214177394	ZINC000293477588	low	3.38	-46.47	1	360.407	0.53	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCO2)c(F)cc1C
214177397	ZINC000293477588	low	2.96	-47.03	1	360.407	0.53	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCO2)c(F)cc1C
365624177	ZINC000625040932	ref	7.33	-17.68	0	307.438	2.217	1	2	2	C[C@H]1CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC(C)(C)C1
259308805	ZINC000020587434	ref	5.66	-48.05	-1	213.277	1.714	1	3	7	CC(C)=CC(=O)NCCCCCC(=O)[O-]
342599033	ZINC000590822146	ref	5.89	-48.31	-1	287.367	1.972	1	3	3	Cn1cc(C#N)c(=NC(=O)NCC(C)(C)C2=CCCC2)[n-]1
259308809	ZINC000306272982	ref	0.62	-40.85	1	200.238	-1.168	1	3	2	COCC(=O)N1CCO[C@@H]2C[NH2+]C[C@H]21
214177376	ZINC000337605332	ref	3.49	-11.85	0	297.311	0.769	1	6	8	CCN(CCOCCO)C(=O)c1cc([N+](=O)[O-])cnc1C
178293935	ZINC000237030170	low	9.87	-102.4	2	372.513	1.104	2	2	5	CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1
178293936	ZINC000237031885	ref	10.09	-62.31	-1	362.401	1.711	0	4	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1
214177380	ZINC000337603130	ref	6.55	-7.16	0	253.386	3.221	1	2	6	CCC1(CC)CCC(NC(=O)CCC(C)=O)CC1
178293938	ZINC000237028916	ref	3.05	-48.71	1	353.488	1.253	2	3	6	CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1
178293939	ZINC000237028916	high	2.72	-15.64	0	353.488	1.253	2	4	6	CCS(=O)(=O)N1CCC(NC(=O)[C@@H](C)[C@@H](N)c2ccccc2)CC1
178293940	ZINC000237038356	ref	8.34	-66.45	-1	356.781	1.874	0	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccc(Cl)cc1F
178293942	ZINC000237025153	ref	6.93	-56.34	-1	361.192	1.437	0	5	7	CCN(CCC(=O)[O-])C(=O)CN(C)C(=O)c1ccc(Br)o1
178293944	ZINC000237028105	ref	4.65	-55.21	1	358.486	1.459	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1
178293945	ZINC000237028069	ref	4.61	-51.96	1	358.486	1.459	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1
178293947	ZINC000237032440	ref	5.47	-41.17	1	364.515	1.355	2	4	6	CCc1nc(CC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cs1
178293949	ZINC000237022302	ref	5.87	-50.75	1	365.503	1.175	2	5	5	CCn1cc(NC(=O)C2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cn1
178293951	ZINC000237022302	high	4.82	-19.83	0	365.503	1.175	2	6	5	CCn1cc(NC(=O)C2CCN(C(=O)C[C@H]3CSCCN3)CC2)cn1
178293953	ZINC000237036251	ref	3.73	-47.58	1	354.52	1.74	1	5	8	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H](C)C[NH2+]C)CC2)cs1
178293955	ZINC000237034542	ref	3.38	-57.74	1	353.488	1.413	2	3	5	CC[NH2+]CC1CCN(C(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1
214177385	ZINC000337604104	ref	2.3	-14.54	0	253.302	0.028	1	5	4	C[C@@H]1[C@@H](CO)CCN1C(=O)COc1cnn(C)c1
214177388	ZINC000337604218	ref	5.96	-13.88	0	268.401	2.33	1	2	6	CCCC(=O)N[C@@H]1CCCN(C(=O)C(CC)CC)C1
214177390	ZINC000337602579	ref	5.12	-42.75	1	284.4	0.718	2	3	8	CCN(CCOCCO)C(=O)C1CC[NH+](C2CC2)CC1
214177392	ZINC000337602579	high	3.17	-12.94	0	284.4	0.718	1	4	8	CCN(CCOCCO)C(=O)C1CCN(C2CC2)CC1
398246840	ZINC000336778983	low	4.72	-107.97	2	226.364	1.077	3	1	3	C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]C[C@@H]1CCCC[C@@H]1O
214177391	ZINC000278474139	ref	9.21	-15.52	0	324.306	2.354	0	4	6	CN(Cc1ncnn1CC(F)F)C(=O)/C=C/c1ccc(F)cc1
342083790	ZINC000625340121	ref	5.32	-11.17	0	263.341	1.001	0	4	2	Cc1cn2c(n1)C[C@@H](C(=O)N(C)[C@H]1CCOC1)CC2
342083791	ZINC000625340121	low	5.74	-35.8	1	263.341	1.001	0	3	2	Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@H]1CCOC1)CC2
370645357	ZINC000236882527	ref	5.0	-53.79	1	264.369	2.008	2	2	8	CC[C@@H](Oc1ccccc1C)C(=O)NCCCC[NH3+]
178305605	ZINC000038478269	low	9.05	-91.43	2	243.354	2.653	1	1	2	Cc1cc2[nH+]cn(CC3CC[NH2+]CC3)c2cc1C
365624160	ZINC000353180725	high	2.78	-10.98	0	292.379	1.33	2	4	6	CCO[C@H]1COCC[C@H]1NCc1ccc(C(=O)NC)cc1
282120609	ZINC000286159039	ref	5.67	-11.3	0	319.409	0.522	1	5	1	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1)CC2
282120626	ZINC000171102735	ref	4.34	-12.8	0	335.314	0.934	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(F)cc(F)c1)CC2
282120635	ZINC000332575173	ref	3.37	-10.58	0	348.451	-0.184	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(C)C[C@H]1C(C)C)CC2
365624165	ZINC000274324915	ref	6.26	-49.53	1	291.395	1.997	1	3	3	Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1
398246841	ZINC000651453796	ref	7.22	-7.36	0	293.436	3.18	1	3	4	CCc1nc(CN(C)C(=O)NC2CC3(CCC3)C2)cs1
282120650	ZINC000332575173	mid	5.8	-47.13	1	348.451	-0.184	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C)CC2
282120655	ZINC000332575173	mid	5.31	-47.78	1	348.451	-0.184	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C)CC2
214177401	ZINC000278473869	ref	1.76	-13.21	0	302.26	1.877	3	4	3	Cc1n[nH]cc1NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F
214177406	ZINC000278474276	ref	7.01	-60.78	1	315.438	3.298	1	2	5	C[C@@H](CC[NH2+][C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1
214177410	ZINC000278474276	mid	5.85	-12.86	0	315.438	3.298	1	3	5	C[C@@H](CCN[C@@H]1CS(=O)(=O)c2ccccc21)c1ccccc1
282120674	ZINC000328653722	ref	3.34	-20.2	0	315.312	1.317	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3n[nH]nc13)CC2
342083792	ZINC000625339297	ref	2.74	-12.27	0	297.405	1.688	1	5	5	CN(C)c1ccc(S(=O)(=O)NCc2ccns2)cc1
342083793	ZINC000625338401	ref	2.36	-10.76	0	293.429	1.538	1	4	10	CCC[C@@H](CNS(=O)(=O)CC[C@H]1CCOC1)OCC
342083794	ZINC000625338694	ref	6.29	-37.32	1	267.417	1.415	1	2	6	CCN(CC(=O)N1CCCC1)C[C@@H]1CCC[N@@H+]1CC
342083795	ZINC000625338694	mid	4.11	-6.7	0	267.417	1.415	1	2	6	CCN(CC(=O)N1CCCC1)C[C@@H]1CCC[N@H+]1CC
214177396	ZINC000337604187	ref	8.01	-7.47	0	276.424	3.445	2	1	4	O=C(NCC1(C2CC2)CC1)N[C@@H]1CC[C@H]2CCC[C@H]2C1
342599034	ZINC000590822146	mid	5.34	-27.58	0	287.367	1.972	2	3	3	Cn1cc(C#N)c(=NC(=O)NCC(C)(C)C2=CCCC2)[nH]1
365624173	ZINC000274326060	ref	7.56	-47.41	1	299.374	1.593	2	2	4	O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC1CC1
342599035	ZINC000590822166	ref	8.16	-50.13	-1	297.362	1.994	0	3	2	Cc1ccc(CN(C)C(=O)N=c2[n-]n(C)cc2C#N)cc1C
214177405	ZINC000337605219	ref	3.82	-8.25	0	259.415	2.044	2	3	6	CSCC(C)(C)C(=O)NCC1(CO)CCCC1
214177409	ZINC000337604936	ref	3.18	-11.34	0	294.351	2.311	2	4	4	COc1cc(NC(=O)N[C@@H]2CCO[C@@H]2C)c(C)c(OC)c1
214177413	ZINC000337602849	ref	-0.58	-13.26	0	269.297	0.482	2	5	7	COc1ccc(O)cc1C(=O)N(C)CCOCCO
342599036	ZINC000590822166	mid	7.25	-29.41	0	297.362	1.994	1	3	2	Cc1ccc(CN(C)C(=O)N=c2[nH]n(C)cc2C#N)cc1C
214177417	ZINC000337602841	ref	5.9	-8.5	0	296.436	2.295	2	3	8	COC[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)SC
214177420	ZINC000337603383	ref	5.6	-7.79	0	290.354	2.185	1	2	4	CC(C)(C)CC(=O)NCC(=O)N1CCCC[C@H]1C(F)F
214177423	ZINC000337605124	ref	7.7	-13.97	0	277.364	2.449	0	3	4	COc1c(C)cc(CN(C)C(=O)[C@H]2CCCO2)cc1C
214177427	ZINC000337604757	ref	1.84	-15.1	0	273.296	0.594	2	5	5	C[C@@H](C(=O)NCC(=O)Nc1cccnc1)n1cccn1
342599037	ZINC000590822164	ref	5.7	-48.75	1	294.399	1.044	2	3	3	C[C@]1(C#N)CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1
342599038	ZINC000590822164	mid	5.7	-48.35	1	294.399	1.044	2	3	3	C[C@]1(C#N)CCCN(C(=O)NCC[N@H+]2CCCOCC2)C1
197598399	ZINC000290110216	ref	4.98	-42.07	1	261.369	1.374	2	2	5	CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccccn1
214177431	ZINC000337602825	ref	3.11	-13.76	0	268.313	0.561	1	5	8	CCOc1cccnc1C(=O)N(C)CCOCCO
342599039	ZINC000590822164	mid	3.5	-18.94	0	294.399	1.044	1	4	3	C[C@]1(C#N)CCCN(C(=O)NCCN2CCCOCC2)C1
214177434	ZINC000337605203	ref	3.59	-15.87	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC(=O)C[C@H]1C
214177437	ZINC000337604146	ref	4.24	-39.1	1	269.389	0.842	1	2	4	CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC(=O)N(C)[C@@H](C)C1
282120612	ZINC000248956577	ref	4.32	-46.18	1	306.362	1.114	3	4	5	COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1
214177441	ZINC000337605381	ref	6.56	-39.93	1	285.457	2.056	3	2	6	CCS[C@H]1CCCC[C@@H]1NC(=O)NCC[NH+]1CCC1
214177444	ZINC000337605381	mid	3.36	-9.79	0	285.457	2.056	2	3	6	CCS[C@H]1CCCC[C@@H]1NC(=O)NCCN1CCC1
178293957	ZINC000237036344	ref	2.49	-46.06	1	354.52	1.868	1	5	7	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H]([NH3+])C(C)C)CC2)cs1
178293958	ZINC000237036344	high	2.19	-8.54	0	354.52	1.868	1	6	7	CCO[C@@H](C)c1nc(CN2CCN(C(=O)[C@@H](N)C(C)C)CC2)cs1
178293959	ZINC000237027419	ref	4.51	-51.4	1	358.486	1.459	2	3	5	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1
214177399	ZINC000293477588	high	0.85	-46.9	-1	360.407	0.53	0	6	5	COC(=O)c1cc(S(=O)(=O)[N-]C[C@@H]2CN(C)CCO2)c(F)cc1C
178293960	ZINC000237035992	ref	8.59	-69.76	-1	357.41	1.872	1	4	4	Cc1[nH]c2ccccc2c1C(=O)N(C)CC(=O)N1CCC[C@H](C(=O)[O-])C1
342083796	ZINC000625338694	high	4.11	-6.7	0	267.417	1.415	0	3	6	CCN(CC(=O)N1CCCC1)C[C@@H]1CCCN1CC
342083797	ZINC000625339051	ref	6.16	-15.23	0	286.375	1.876	1	2	2	C[C@@H](C(=O)N1CCCc2ccccc2C1)[C@H]1CCC(=O)N1
214177402	ZINC000293487492	ref	6.69	-49.61	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO
342083798	ZINC000625338431	ref	2.46	-11.74	0	298.389	1.768	1	5	6	COCc1ccccc1S(=O)(=O)NCc1ccns1
214177404	ZINC000293487492	mid	6.79	-53.88	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO
342083799	ZINC000625338843	ref	4.2	-38.11	1	293.407	1.936	2	3	8	C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CCOC1CCOCC1
214177407	ZINC000293487492	high	4.47	-16.05	0	370.453	0.633	2	6	7	O=C(CCn1cnccc1=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO
214177412	ZINC000293481516	ref	5.28	-8.5	0	359.43	0.899	1	6	3	CN(C)c1ncncc1NC(=O)C(=O)N1CC2(CCOCC2)[C@H]1C1CC1
342083800	ZINC000625338314	ref	3.08	-9.8	0	286.397	1.874	1	4	8	CCC[C@@H](CNS(=O)(=O)c1cnccc1C)OCC
342083801	ZINC000625338925	ref	5.59	-37.3	1	254.374	1.259	1	3	4	CC(C)(C)CNC(=O)CN1CCO[C@@H](C2CC2)C1
342083802	ZINC000625338925	low	6.01	-38.72	1	254.374	1.259	2	2	4	CC(C)(C)CNC(=O)C[N@@H+]1CCO[C@@H](C2CC2)C1
342083803	ZINC000625338925	low	6.01	-38.72	1	254.374	1.259	2	2	4	CC(C)(C)CNC(=O)C[N@H+]1CCO[C@@H](C2CC2)C1
342083804	ZINC000625339532	ref	2.65	-6.9	0	296.333	1.49	1	3	5	CC[C@@H](O)CN1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
342083805	ZINC000625339532	mid	4.98	-45.07	1	296.333	1.49	2	2	5	CC[C@@H](O)C[NH+]1CCN(C(=O)C[C@@H](C)C(F)(F)F)CC1
342083806	ZINC000625339633	ref	2.69	-11.18	0	289.426	1.742	1	4	5	CN(C1CCCCC1)S(=O)(=O)NCc1ccns1
342083807	ZINC000625338950	ref	5.43	-10.78	0	284.4	1.964	0	3	3	COCCC1CCN(C(=O)N2C[C@H](C)O[C@H](C)C2)CC1
197598398	ZINC000162893129	ref	5.55	-45.66	1	304.232	2.08	1	3	8	COCCn1ncc(Br)c1CC[NH2+]CC(C)C
214177400	ZINC000053343986	ref	6.72	-3.77	0	337.286	3.981	1	3	4	Brc1ccccc1NCCN1CCc2sccc2C1
342599040	ZINC000590822528	ref	5.92	-46.71	-1	273.34	1.414	1	3	3	Cn1cc(C#N)c(=NC(=O)N[C@@H](C2CCC2)C2CC2)[n-]1
214177403	ZINC000053343986	low	9.21	-42.99	1	337.286	3.981	2	2	4	Brc1ccccc1NCC[N@@H+]1CCc2sccc2C1
214177408	ZINC000053343986	low	9.21	-42.99	1	337.286	3.981	2	2	4	Brc1ccccc1NCC[N@H+]1CCc2sccc2C1
365624176	ZINC000617390577	ref	0.86	-16.41	0	265.313	0.948	0	5	3	Cc1nnc(CC(=O)N2CCO[C@@](C)(C3CC3)C2)o1
365624183	ZINC000617387735	ref	5.46	-17.22	0	296.367	0.261	0	4	4	CC(=O)N1CC(OCC(=O)N2CCO[C@](C)(C3CC3)C2)C1
214177411	ZINC000053351936	ref	4.94	-14.12	0	331.416	1.762	1	4	5	O=C(CC[C@@H]1CCCO1)NC1CCN(C(=O)c2ccncc2)CC1
214177415	ZINC000053334426	ref	7.45	-10.92	0	325.825	2.352	2	5	5	C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CSc1nc(N)n[nH]1
214177419	ZINC000053347239	ref	6.54	-14.18	0	338.407	3.466	2	3	6	COc1ccc(OC)c(CCNC(=O)c2c(C)[nH]c3ccccc23)c1
214177424	ZINC000053332177	ref	9.12	-12.05	0	328.412	3.885	0	4	5	Cc1noc(C)c1COc1cccc(C(=O)N(C)C2CCCC2)c1
342599041	ZINC000590822528	mid	5.22	-24.19	0	273.34	1.414	2	3	3	Cn1cc(C#N)c(=NC(=O)N[C@@H](C2CCC2)C2CC2)[nH]1
342600632	ZINC000616999773	mid	3.54	-41.48	1	283.416	1.269	3	2	7	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCCC(N)=O)C1
365624192	ZINC000617389575	ref	7.72	-22.19	0	294.355	0.359	0	6	5	Cn1cnnc1COCC(=O)N1CCO[C@](C)(C2CC2)C1
214177429	ZINC000053353742	ref	6.32	-13.86	0	337.782	2.734	0	4	3	Cc1cc(CN2CCN(C(=O)c3c(F)cccc3Cl)CC2)on1
365624200	ZINC000617388207	ref	1.12	-7.78	0	255.314	0.165	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@]2(O)CCOC2)CCO1
365624207	ZINC000617388859	ref	1.64	-16.65	0	269.345	0.461	2	3	4	C[C@@H](CC(=O)N1CCO[C@@](C)(C2CC2)C1)NC(N)=O
365624215	ZINC000617388133	ref	4.03	-8.03	0	294.355	0.566	0	6	5	COCCn1cc(C(=O)N2CCO[C@](C)(C3CC3)C2)nn1
342600633	ZINC000616999864	ref	3.94	-8.96	0	258.299	1.506	0	6	4	CO[C@H]1CN(c2ccc([N+](=O)[O-])s2)C[C@H]1OC
342600634	ZINC000616999720	ref	3.15	-38.46	1	256.39	1.241	3	2	4	CC(C)(CO)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
259308811	ZINC000084399828	ref	6.76	-41.4	-1	219.24	1.513	0	3	2	C[C@H]1[C@@H](C(=O)[O-])CC(=O)N1c1ccccc1
365624226	ZINC000617390058	ref	4.45	-9.15	0	290.367	0.937	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CCO1
365624179	ZINC000274326060	mid	7.56	-46.76	1	299.374	1.593	2	2	4	O=C1N[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC1CC1
282120616	ZINC000533447357	ref	7.77	-49.77	1	287.363	1.544	1	4	3	Cn1c(C[N@H+](C)C2CCOCC2)nc2ccccc2c1=O
370645361	ZINC000119111599	ref	5.61	-50.34	1	294.37	3.069	2	2	5	CC(C)[C@H]([NH3+])C(=O)Nc1ccc(OC2CCCC2)c(F)c1
282120619	ZINC000533447357	mid	7.77	-49.72	1	287.363	1.544	1	4	3	Cn1c(C[N@@H+](C)C2CCOCC2)nc2ccccc2c1=O
370645369	ZINC000119111599	high	4.92	-12.66	0	294.37	3.069	2	3	5	CC(C)[C@H](N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1
342083808	ZINC000625339301	ref	6.4	-48.62	1	268.401	1.648	1	2	6	CCO[C@H](C[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1C)C1CC1
282120621	ZINC000533447357	mid	5.41	-11.06	0	287.363	1.544	0	5	3	CN(Cc1nc2ccccc2c(=O)n1C)C1CCOCC1
185090416	ZINC000096075913	high	4.76	-11.7	0	298.39	1.884	0	4	2	CCN1CC[C@@]12CCN(C(=O)c1nn(C)c3ccccc13)C2
214177418	ZINC000278475329	ref	4.3	-10.73	0	317.433	1.702	2	3	6	Cc1ccccc1CCNC(=O)NCC1(N2CCOCC2)CC1
214177421	ZINC000278475329	low	6.52	-43.51	1	317.433	1.702	3	2	6	Cc1ccccc1CCNC(=O)NCC1([NH+]2CCOCC2)CC1
214177426	ZINC000278475250	ref	2.04	-20.23	0	315.167	1.075	2	3	5	O=C(Cc1cc[nH]c(=O)c1Br)N(CCO)C1CC1
297220800	ZINC000337856854	ref	0.31	-17.87	0	347.481	0.172	1	5	3	CN(CC(C)(C)C)C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1
214177435	ZINC000278474810	ref	5.72	-12.12	0	315.46	2.849	0	4	5	CS(=O)(=O)CCC(=O)N(c1ccsc1)C1CCCCC1
214177438	ZINC000278474132	ref	4.59	-15.78	0	322.361	1.343	2	5	7	COC(=O)CNC(=O)c1ccc(NC(=O)CC(C)(C)OC)cc1
214177443	ZINC000278475143	ref	4.78	-13.0	0	317.216	3.179	1	3	4	CC(C)[C@@H]1OCC[C@@H]1CNC(=O)c1ccc(Cl)nc1Cl
178293961	ZINC000013471158	ref	5.77	-25.11	0	226.239	1.707	0	5	1	Cc1cc2cc(C=O)c3nnnn3c2cc1C
214177447	ZINC000278475806	ref	2.3	-11.33	0	322.34	2.1	2	5	7	CO[C@H](C)CCNC(=O)NCc1nc(-c2cccc(F)c2)no1
214177451	ZINC000278474107	ref	4.58	-21.3	0	304.302	1.003	1	6	4	COC(=O)c1coc(C(=O)NCc2ccc(C)n(C)c2=O)c1
342083809	ZINC000625338806	ref	3.27	-9.62	0	292.423	1.903	3	2	7	C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C
342083810	ZINC000625338806	high	3.27	-9.62	0	292.423	1.903	3	3	7	C[C@@H](c1ccccc1)[C@H](CO)NCC(=O)NCC(C)(C)C
342083811	ZINC000625338804	ref	3.59	-9.05	0	292.423	1.903	3	2	7	C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C
178293962	ZINC000049016119	ref	5.22	-25.28	0	216.236	2.376	0	3	0	Cc1cc2c3c(cc(=O)cc-3o1)C[C@H](C)O2
214177416	ZINC000293476602	ref	4.79	-11.83	0	365.171	0.954	1	5	5	CCOC(=O)[C@@H](C)CNC(=O)c1c(I)cnn1C
214177422	ZINC000293482487	ref	1.31	-9.92	0	354.476	0.944	3	5	6	CNC(=O)[C@H](C)NC(=O)NC[C@H](c1cccs1)N1CCO[C@H](C)C1
214177425	ZINC000293482487	low	2.74	-41.15	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1
178293963	ZINC000089261986	ref	7.74	-49.01	-1	249.697	3.132	0	3	2	Cc1cc2cc(CC(=O)[O-])c(Cl)nc2cc1C
178293964	ZINC000000874062	ref	6.25	-61.52	-1	217.224	1.843	1	3	1	Cc1cc2cc(C(=O)[O-])c(=O)[nH]c2cc1C
398246842	ZINC000380245102	ref	5.41	-35.9	1	229.364	2.064	1	2	8	COCC1(C[NH2+]C[C@@H](OC)C(C)C)CCC1
214177428	ZINC000293482487	low	2.7	-40.84	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@H](c1cccs1)[N@H+]1CCO[C@H](C)C1
178293966	ZINC000286375272	ref	2.78	-13.19	0	232.283	1.473	3	2	3	Cc1cc2cc(CNC(=O)[C@H](C)O)ccc2[nH]1
214177432	ZINC000293487317	ref	1.56	-15.49	0	360.414	0.788	4	4	7	CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2
178293968	ZINC000287043107	ref	0.27	-11.8	0	247.298	1.268	4	2	4	Cc1cc2cc(CNC(=O)NCCO)ccc2[nH]1
178293970	ZINC000285691683	ref	3.36	-37.35	1	245.326	1.83	3	1	5	Cc1cc2cc(C[NH2+][C@@H](C)CC(N)=O)ccc2[nH]1
178293972	ZINC000285691683	high	2.34	-10.81	0	245.326	1.83	3	2	5	Cc1cc2cc(CN[C@@H](C)CC(N)=O)ccc2[nH]1
214177436	ZINC000293487479	ref	6.1	-49.01	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO
178293974	ZINC000063119032	ref	7.89	-6.38	0	249.317	3.496	2	2	1	Cc1cc2cc(-c3ccccc3)ccc2[nH]c1=NN
178293977	ZINC000032099291	ref	8.61	-7.05	0	248.329	4.101	1	2	1	Cc1cc2cc(-c3ccccc3)c(N)nc2cc1C
178293980	ZINC000032099291	low	9.06	-25.08	1	248.329	4.101	1	1	1	Cc1cc2cc(-c3ccccc3)c(N)[nH+]c2cc1C
214177440	ZINC000293487479	mid	6.69	-49.47	1	370.453	0.633	3	5	7	O=C(CCn1cnccc1=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO
214177442	ZINC000293487479	high	4.1	-16.98	0	370.453	0.633	2	6	7	O=C(CCn1cnccc1=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO
398249343	ZINC000651463562	ref	6.78	-48.9	1	285.391	3.324	2	2	5	COc1cccc([C@@H]2C[C@@H]([NH2+][C@@H](C)c3c[nH]nc3C)C2)c1
342599042	ZINC000590838424	ref	6.41	-9.93	0	298.383	1.705	1	4	4	C=C(CC)CNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1
365624180	ZINC000576558195	ref	5.17	-7.69	0	203.245	2.199	0	4	2	C[C@@H]1C[C@@H]1c1noc(-c2cccn2C)n1
214177433	ZINC000053354844	ref	5.08	-14.46	0	334.42	0.886	0	5	3	CC(=O)N1CCC[C@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C1
342599043	ZINC000590838301	ref	6.74	-55.51	-1	284.323	1.3	1	4	2	Cc1nc(=NC(=O)N[C@H](C)c2cccc(C#N)c2)[n-]n1C
365624189	ZINC000576554023	ref	3.9	-8.36	0	243.31	2.502	2	3	3	Cc1ccc2c(c1)[C@@H](N[C@@H](C)c1cn[nH]c1)CO2
342599044	ZINC000590838301	low	7.09	-24.2	0	284.323	1.3	2	4	2	Cc1nc(=NC(=O)N[C@H](C)c2cccc(C#N)c2)[nH]n1C
365624197	ZINC000576554023	mid	4.84	-42.34	1	243.31	2.502	2	2	3	Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)CO2
365624205	ZINC000576554473	ref	3.62	-10.08	0	249.31	2.063	2	3	5	COc1cc(CNC(=O)C[C@H]2C[C@H]2C)ccc1O
214177439	ZINC000053325447	ref	2.37	-10.2	0	339.823	1.474	3	3	7	CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)C(N)=O
365624212	ZINC000576561059	ref	2.99	-9.27	0	238.291	0.815	1	5	3	CC(C)[C@H]1OCC[C@@H]1C(=O)Nc1cn(C)nn1
214177452	ZINC000053355603	ref	9.94	-16.02	0	346.471	3.34	0	3	7	CCCCCCOc1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1
214177457	ZINC000053339587	ref	5.33	-16.75	0	339.395	2.13	2	4	3	Cc1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c(O)c1
342599045	ZINC000590838369	ref	6.58	-15.59	0	266.688	1.71	2	4	4	COCC(=O)Nc1n[nH]c(-c2ccc(Cl)cc2)n1
342599046	ZINC000590838369	mid	6.58	-11.43	0	266.688	1.71	2	4	4	COCC(=O)Nc1nc(-c2ccc(Cl)cc2)n[nH]1
365624217	ZINC000576562336	ref	4.92	-24.04	0	249.245	0.948	1	3	5	N#CCCN(C(=O)CC(N)=O)c1ccc(F)cc1
282120617	ZINC000248956577	mid	4.66	-44.81	1	306.362	1.114	3	4	5	COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1
323004227	ZINC000150965622	ref	5.48	-8.85	0	247.404	2.484	0	2	5	CCCS(=O)(=O)N1CCC[C@@H](CC(C)C)C1
365624227	ZINC000576560388	ref	5.61	-10.33	0	233.311	2.541	1	2	4	CN(Cc1cccc(O)c1)C(=O)CC1(C)CC1
365624245	ZINC000576561057	ref	3.22	-11.37	0	238.291	0.815	1	5	3	CC(C)[C@H]1OCC[C@H]1C(=O)Nc1cn(C)nn1
342599047	ZINC000590838220	ref	7.03	-56.43	-1	296.334	1.226	1	4	1	Cc1nc(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[n-]n1C
365624250	ZINC000576561036	ref	8.89	-6.67	0	241.4	2.775	0	2	3	CCC[C@@H]1C[C@H]1C(=O)N1C[C@H](C)S[C@@H](C)C1
365624258	ZINC000576581637	ref	-0.99	-19.02	0	241.335	0.097	2	3	5	CC[C@H](C)NC(=O)[C@H](C)N1CC(C)(C(N)=O)C1
342600635	ZINC000616999720	mid	3.21	-38.75	1	256.39	1.241	3	2	4	CC(C)(CO)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365624267	ZINC000576581637	mid	2.05	-42.36	1	241.335	0.097	3	2	5	CC[C@H](C)NC(=O)[C@H](C)[NH+]1CC(C)(C(N)=O)C1
214177446	ZINC000293481047	ref	4.6	-42.88	1	352.387	0.901	3	6	8	CC[N@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@@H](C)CO
282120618	ZINC000449149770	ref	7.73	-54.58	-1	291.347	2.025	0	4	5	C[C@H](COc1ccccc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1
398246843	ZINC000285167878	ref	2.44	-7.73	0	231.342	1.991	1	3	5	C=CC[C@H](C)NS(=O)(=O)c1ccsc1
342083812	ZINC000625338804	high	3.59	-9.05	0	292.423	1.903	3	3	7	C[C@H](c1ccccc1)[C@@H](CO)NCC(=O)NCC(C)(C)C
214177449	ZINC000293481047	mid	4.64	-40.87	1	352.387	0.901	3	6	8	CC[N@@H+](CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@@H](C)CO
342083813	ZINC000625338928	ref	1.74	-11.64	0	256.375	1.273	1	5	4	C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1cnns1
214177453	ZINC000293481047	mid	2.91	-13.5	0	352.387	0.901	2	7	8	CCN(CC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1)[C@@H](C)CO
365624181	ZINC000625039943	ref	7.52	-11.6	0	308.328	2.186	0	2	2	C[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)c(F)c3)C2)C1
214177455	ZINC000293479146	ref	1.68	-15.07	0	374.401	0.277	3	8	5	COc1ccc(NC(=O)C(=O)NC[C@@]2(O)CCC[C@H]2C)cc1-n1cnnn1
214177460	ZINC000293478310	ref	8.47	-34.26	0	368.397	0.515	1	7	6	Cn1cnnc1COCC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O
398246847	ZINC000285162686	ref	5.06	-5.56	0	238.674	3.492	0	4	4	C=C(C)CCc1noc(-c2ccc(Cl)o2)n1
398246850	ZINC000285167875	ref	2.37	-8.05	0	231.342	1.991	1	3	5	C=CC[C@@H](C)NS(=O)(=O)c1ccsc1
398246853	ZINC000191992071	ref	2.99	-50.21	1	244.335	0.819	2	3	8	COC(=O)CCCCCNC(=O)[C@H](C)[C@@H](C)[NH3+]
342083814	ZINC000625338927	ref	1.71	-9.28	0	256.375	1.273	1	5	4	C[C@H](C(=O)NC(C)(C)C)N(C)Cc1cnns1
398246858	ZINC000191999148	ref	1.85	-10.03	0	224.304	0.237	1	3	5	C#CCCCC(=O)NC[C@@H]1CN(C)CCO1
342083815	ZINC000625339298	ref	6.68	-49.89	1	268.401	1.648	1	2	6	CCO[C@H](C[NH2+][C@H]1CCN(C(C)=O)C[C@H]1C)C1CC1
398246861	ZINC000191999148	low	4.28	-45.35	1	224.304	0.237	2	2	5	C#CCCCC(=O)NC[C@@H]1C[N@H+](C)CCO1
342083816	ZINC000625338802	ref	3.22	-10.59	0	292.423	1.903	3	2	7	C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C
398246862	ZINC000191999148	low	3.84	-45.83	1	224.304	0.237	2	2	5	C#CCCCC(=O)NC[C@@H]1C[N@@H+](C)CCO1
342083817	ZINC000625338802	high	3.22	-10.59	0	292.423	1.903	3	3	7	C[C@H](c1ccccc1)[C@H](CO)NCC(=O)NCC(C)(C)C
342083818	ZINC000625338847	ref	4.2	-39.79	1	293.407	1.936	2	3	8	C[C@@H](c1ccccc1)[C@H](CO)[NH2+]CCOC1CCOCC1
398246863	ZINC000191992076	ref	3.02	-49.94	1	244.335	0.819	2	3	8	COC(=O)CCCCCNC(=O)[C@@H](C)[C@H](C)[NH3+]
398246866	ZINC000285174262	ref	2.86	-11.58	0	248.286	1.94	1	5	6	C=C[C@@](C)(CCOC)c1nc(-c2ncc[nH]2)no1
282120620	ZINC000248956577	mid	2.18	-12.3	0	306.362	1.114	2	5	5	COC(=O)c1ccc(NC(=O)CN2CC[C@@H](C)[C@@H]2CO)cc1
282120625	ZINC000248957981	ref	4.31	-13.52	0	324.429	1.601	0	7	2	C[C@H](c1nnnn1C)N1C[C@@H](C)N(C(=O)OC(C)(C)C)[C@H](C)C1
365624186	ZINC000274326060	high	5.1	-6.82	0	299.374	1.593	1	3	4	O=C1N[C@@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC1CC1
365624191	ZINC000637717867	ref	6.74	-42.86	1	295.427	1.68	2	2	4	C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)C1
343994503	ZINC000079923472	ref	6.99	-10.83	0	281.359	2.32	2	2	3	O=C(NC1(c2ccccc2)CC1)[C@@H]1CCc2c[nH]nc2C1
343994507	ZINC000079932973	ref	6.69	-11.18	0	275.327	2.23	1	3	5	Cc1cc(F)cc(C(=O)NCCCc2cnn(C)c2)c1
214177454	ZINC000337602402	ref	3.38	-18.43	0	286.372	0.101	1	4	7	CC(C)C(=O)N1CCC[C@H]1C(=O)N(C)CCOCCO
214177458	ZINC000337604025	ref	7.73	-7.91	0	288.366	2.345	1	2	3	O=C([C@@H]1C[C@@H]1C1CC1)N1CCN[C@@H](c2cccc(F)c2)C1
214177462	ZINC000337604025	low	8.83	-52.54	1	288.366	2.345	1	1	3	O=C([C@@H]1C[C@@H]1C1CC1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1
214177465	ZINC000337604927	ref	3.2	-11.02	0	294.351	2.311	2	4	4	COc1cc(NC(=O)N[C@H]2CCO[C@H]2C)c(C)c(OC)c1
214177469	ZINC000337603854	ref	7.42	-38.61	1	279.428	2.349	3	1	4	C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1C
214177472	ZINC000337603854	mid	7.8	-38.05	1	279.428	2.349	3	1	4	C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@H+]1C
370645366	ZINC000236879812	ref	4.44	-46.12	1	286.379	2.13	3	2	4	CC[C@@H](NC(=O)C1CC[NH2+]CC1)c1nc2ccccc2[nH]1
365624196	ZINC000637717867	high	4.29	-7.48	0	295.427	1.68	1	3	4	CN(C)[C@@H]1CCN(C(=O)N[C@@H](C2CCC2)[C@H]2CCCO2)C1
365624203	ZINC000274324911	ref	6.24	-50.77	1	291.395	1.997	1	3	3	Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@]2(CC[NH2+]C2)C1
214177476	ZINC000337603854	high	5.5	-6.96	0	279.428	2.349	2	2	4	C[C@@H]1C[C@H](NC(=O)NCC2(C3CC3)CCC2)CCN1C
214177479	ZINC000337603442	ref	-1.72	-16.4	0	270.289	-0.984	3	4	5	O=C(NCCCN1C(=O)CNC1=O)N[C@@H]1CCOC1
398246844	ZINC000651454230	ref	7.87	-8.19	0	278.318	3.303	1	1	4	CCN(CCC(F)(F)F)C(=O)NC1CC2(CCC2)C1
342083819	ZINC000625338934	ref	2.03	-41.81	1	280.372	1.22	1	5	5	COc1cncc(CN(C)[C@@H](C)C(=O)NC(C)(C)C)n1
214177484	ZINC000337605076	ref	4.58	-42.36	1	255.362	0.759	2	2	3	CC(C)[NH+]1CCN(C(=O)NC[C@H]2CCOC2)CC1
259308815	ZINC000306302422	ref	6.71	-3.65	0	212.724	3.501	1	2	4	Cc1ccnc(NCCC(C)C)c1Cl
342083820	ZINC000625338934	low	2.59	-41.04	1	280.372	1.22	2	4	5	COc1cncc(C[N@H+](C)[C@@H](C)C(=O)NC(C)(C)C)n1
214177456	ZINC000278475558	ref	8.48	-12.5	0	300.41	2.46	1	6	5	C[C@H](Nc1cnn(Cc2nnc3n2CCCC3)c1)C1CCC1
214177459	ZINC000278475206	ref	5.83	-7.24	0	308.334	2.067	1	5	4	COc1cc(C(=O)N[C@H]2CCOC[C@H]2C)cc([N+](=O)[O-])c1C
214177463	ZINC000278474977	ref	8.23	-10.58	0	311.385	2.604	1	3	3	Cc1cc(C)nc(NC(=O)C(=O)N(C)Cc2ccccc2C)c1
214177468	ZINC000278474489	ref	6.62	-20.52	0	303.337	1.879	1	4	6	C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)Cc1ccnn1C
214177475	ZINC000278474232	ref	2.98	-13.21	0	322.296	1.483	3	5	6	CCc1n[nH]c(C(=O)N[C@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-]
365624188	ZINC000625038640	ref	5.83	-19.41	0	307.438	2.408	2	2	3	C[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1
282120623	ZINC000192700226	high	7.07	-11.74	0	349.431	2.664	2	6	8	CCC(CC)(CN[C@@H](C)C(=O)Nc1oc(C)c(C)c1C#N)C(=O)OC
342083821	ZINC000625338934	low	2.59	-41.04	1	280.372	1.22	2	4	5	COc1cncc(C[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C)n1
342083822	ZINC000625338799	ref	3.53	-10.63	0	292.423	1.903	3	2	7	C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NCC(C)(C)C
282120629	ZINC000263097941	ref	7.14	-31.32	0	271.401	2.815	1	3	9	CCC(CC)(C[NH2+][C@@H](C)CC1(OC)CCC1)C(=O)[O-]
214177480	ZINC000278475754	ref	5.41	-17.82	0	306.406	2.899	0	3	5	Cc1nc(F)ccc1CN(C)Cc1ccc([S@@](C)=O)cc1
342083823	ZINC000625338799	high	3.53	-10.63	0	292.423	1.903	3	3	7	C[C@@H](c1ccccc1)[C@@H](CO)NCC(=O)NCC(C)(C)C
178293982	ZINC000082788849	ref	6.84	-2.83	0	266.942	4.848	0	1	0	Clc1cc(Cl)c2nc(Cl)cc(Cl)c2c1
214177482	ZINC000278475754	low	7.35	-63.9	1	306.406	2.899	1	2	5	Cc1nc(F)ccc1C[N@H+](C)Cc1ccc([S@@](C)=O)cc1
214177485	ZINC000278475754	low	7.38	-62.37	1	306.406	2.899	1	2	5	Cc1nc(F)ccc1C[N@@H+](C)Cc1ccc([S@@](C)=O)cc1
214177488	ZINC000278473824	ref	5.7	-11.5	0	319.796	1.867	1	5	3	Cn1nccc1N1CCC[C@@H](NC(=O)c2ccc(Cl)nc2)C1
342083824	ZINC000625340015	ref	1.63	-12.49	0	296.373	1.652	1	5	4	O=S(=O)(NCc1ccns1)c1ccc2c(c1)COC2
214177497	ZINC000278474843	ref	3.4	-6.87	0	324.222	2.396	2	4	6	Cn1ncc(Br)c1CN[C@H](CCO)c1ccccc1
343994510	ZINC000139408392	high	0.43	-44.85	-1	171.152	-1.135	1	4	2	CCOC(=O)C1=C([O-])CNC1=O
214177502	ZINC000278474843	mid	4.41	-42.99	1	324.222	2.396	2	3	6	Cn1ncc(Br)c1C[NH2+][C@H](CCO)c1ccccc1
342083825	ZINC000625339453	ref	2.93	-14.06	0	288.419	1.867	1	5	6	O=S(=O)(CCc1cccs1)NCc1ccns1
259308817	ZINC000306302422	low	7.07	-29.24	1	212.724	3.501	1	1	4	Cc1cc[nH+]c(NCCC(C)C)c1Cl
343994511	ZINC000079927676	ref	5.11	-54.71	1	298.818	2.203	3	3	5	C[C@H]1C[C@@H](C)C[N@H+](CCCNc2cn[nH]c(=O)c2Cl)C1
342083826	ZINC000625339973	ref	5.63	-9.89	0	292.383	1.94	1	5	6	CCCN(C[C@H]1CCCCO1)C(=O)c1cnc(NC)cn1
343994523	ZINC000079927676	mid	5.2	-55.01	1	298.818	2.203	3	3	5	C[C@H]1C[C@@H](C)C[N@@H+](CCCNc2cn[nH]c(=O)c2Cl)C1
342083827	ZINC000625338646	ref	3.91	-52.1	-1	283.397	1.904	2	3	6	O=S(=O)(NCC(C1CCC1)C1CCC1)c1c[nH]cn1
342083828	ZINC000625338646	high	3.91	-52.1	-1	283.397	1.904	1	3	6	O=S(=O)([N-]CC(C1CCC1)C1CCC1)c1c[nH]cn1
178293990	ZINC000082789000	ref	5.61	-7.48	0	252.111	3.314	0	2	1	COc1cc(C)nc2c(Br)cccc12
214177461	ZINC000053339587	high	6.34	-61.32	-1	339.395	2.13	1	4	3	Cc1ccc(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c([O-])c1
342083829	ZINC000625339537	ref	2.65	-6.93	0	296.333	1.49	1	3	5	CC[C@@H](O)CN1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1
342083830	ZINC000625339537	mid	4.98	-45.27	1	296.333	1.49	2	2	5	CC[C@@H](O)C[NH+]1CCN(C(=O)C[C@H](C)C(F)(F)F)CC1
398246845	ZINC000651454154	ref	7.98	-11.45	0	285.391	3.261	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]1c1ccccn1
398246846	ZINC000651453057	ref	8.24	-7.3	0	250.386	3.293	1	1	3	CCN(C(=O)NC1CC2(CCC2)C1)C1CCCC1
342083831	ZINC000625339054	ref	6.26	-15.34	0	286.375	1.876	1	2	2	C[C@H](C(=O)N1CCCc2ccccc2C1)[C@@H]1CCC(=O)N1
398246848	ZINC000651454198	ref	8.2	-8.53	0	250.386	3.149	1	1	2	CC(C)[C@H]1CCCN1C(=O)NC1CC2(CCC2)C1
398246849	ZINC000651452884	ref	6.21	-40.58	1	260.381	3.083	1	2	4	C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)c1ccc(C)nc1C
398246851	ZINC000651452884	high	5.74	-5.27	0	260.381	3.083	1	3	4	C=C[C@@H]1OCCC[C@H]1N[C@@H](C)c1ccc(C)nc1C
365624190	ZINC000623054256	ref	2.16	-56.22	1	323.418	1.354	3	3	3	CS(=O)(=O)c1ccc(NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1
178293995	ZINC000082789152	ref	6.04	-7.28	0	273.048	2.979	0	1	0	Fc1cc(I)cc2cccnc12
365624204	ZINC000623055127	ref	1.38	-55.63	1	311.407	1.211	3	3	4	CS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CCC[NH2+]C2)cc1
342083832	ZINC000625340118	ref	5.39	-10.56	0	263.341	1.001	0	4	2	Cc1cn2c(n1)C[C@@H](C(=O)N(C)[C@@H]1CCOC1)CC2
342083833	ZINC000625340118	low	5.82	-35.0	1	263.341	1.001	0	3	2	Cc1cn2c([nH+]1)C[C@@H](C(=O)N(C)[C@@H]1CCOC1)CC2
342083834	ZINC000625338565	ref	4.44	-22.35	0	288.347	1.131	2	3	3	Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CC[C@H](C(N)=O)O1)CC2
365638855	ZINC000274368975	ref	2.66	-14.21	0	279.325	1.294	1	7	6	CSCc1noc(CCC(=O)Nc2cncnc2)n1
214177464	ZINC000293476135	ref	1.92	-15.41	0	367.471	0.721	1	5	3	C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@@H](C)N1C
214177467	ZINC000293476135	mid	4.13	-46.45	1	367.471	0.721	2	4	3	C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@@H](C)[N@@H+]1C
214177470	ZINC000293476135	mid	3.73	-46.79	1	367.471	0.721	2	4	3	C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)C[C@@H](C)[N@H+]1C
214177474	ZINC000293476964	ref	8.51	-30.87	0	357.37	0.086	0	7	7	CN(CCN1C(=O)c2ccccc2C1=O)C(=O)COCc1nncn1C
214177477	ZINC000293478716	ref	1.86	-58.61	1	369.487	0.955	2	4	8	C[C@H](CCCC[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
214177483	ZINC000293481281	ref	4.56	-22.83	0	364.383	0.907	1	7	8	O=C(CCc1cncnc1)NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1
214177489	ZINC000293482766	ref	7.17	-13.79	0	366.422	0.53	1	7	1	Cc1nc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2C)nn1C
214177493	ZINC000293485248	ref	7.39	-16.56	0	352.391	0.734	0	8	4	COC(=O)[C@H]1CCN(C(=O)c2nnn(C(C)C)c2C)[C@@H](C(=O)OC)C1
214177499	ZINC000293475866	ref	0.25	-24.68	0	371.397	0.045	4	4	3	O=C1CNC(=O)c2ccc(C(=O)N3CC[C@@H](NC(=O)NC4CC4)C3)cc2N1
214177505	ZINC000293485821	ref	1.36	-10.24	0	361.398	0.648	3	5	3	C[C@@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
342599048	ZINC000590838220	low	7.39	-23.09	0	296.334	1.226	2	4	1	Cc1nc(=NC(=O)N[C@H]2CCc3cc(C#N)ccc32)[nH]n1C
214177511	ZINC000293478613	ref	1.67	-12.58	0	358.435	0.422	1	6	5	COc1ccc(F)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1
214177512	ZINC000293478613	mid	2.24	-54.16	1	358.435	0.422	1	5	5	COc1ccc(F)c(C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1
214177516	ZINC000293480082	ref	2.08	-12.1	0	352.46	0.97	2	5	10	CCCNS(=O)(=O)N(CCO)Cc1cnn(Cc2ccccc2)c1
349533293	ZINC000621481946	ref	9.59	-10.13	0	277.408	3.405	0	2	5	Cc1cccc(COCC(=O)N(C)[C@H](C)C(C)(C)C)c1
342599049	ZINC000616991160	ref	6.72	-49.39	1	291.395	1.085	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2ccccc2=O)C1
342599050	ZINC000616991160	mid	6.77	-49.38	1	291.395	1.085	2	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2ccccc2=O)C1
214177525	ZINC000293482403	ref	4.39	-15.01	0	374.397	0.638	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C)OC
214177530	ZINC000293487485	ref	0.68	-15.66	0	368.499	0.752	2	5	8	O=S(=O)(CC[C@H]1CCOC1)NC[C@H](O)CN1CCc2ccccc2C1
214177466	ZINC000053346130	ref	7.92	-20.89	0	338.342	3.222	2	4	4	CC(=O)Nc1cc(C(=O)Nc2ccc(-n3ccnc3)cc2)ccc1F
398246852	ZINC000651453266	ref	8.15	-10.93	0	285.391	3.261	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]1c1cccnc1
342599051	ZINC000616991396	ref	7.56	-10.65	0	299.315	1.915	1	7	2	Cc1ccc2oc(C(=O)Nc3nn4cnnc4s3)cc2c1
365624193	ZINC000625039685	ref	6.11	-20.26	0	305.378	2.135	1	3	4	C[C@@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365624198	ZINC000625041058	ref	5.53	-12.67	0	321.402	2.013	0	5	2	Cc1ccc2c(c1)N(S(=O)(=O)c1cnc(C)n1C)C[C@H](C)O2
342599052	ZINC000616991396	high	6.42	-37.41	-1	299.315	1.915	0	7	2	Cc1ccc2oc(C(=O)[N-]c3nn4cnnc4s3)cc2c1
398246854	ZINC000651455069	ref	6.83	-9.32	0	272.396	3.327	1	4	5	CCn1ccnc1[C@H](C)N[C@@H](C)c1ccc(C)nc1C
365624206	ZINC000625040426	ref	7.07	-18.63	0	307.438	2.216	1	2	2	C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@H]1C
398246855	ZINC000651455069	mid	7.75	-41.42	1	272.396	3.327	1	3	5	CCn1ccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C
342599053	ZINC000590838484	ref	6.23	-15.85	0	290.273	1.845	1	3	2	N#Cc1ccc(CNC(=O)N2CC[C@](F)(C#N)C2)cc1F
365624211	ZINC000625041287	ref	6.03	-18.24	0	305.422	2.33	2	2	5	O=C(NCCC1=CCCCC1)N[C@H]1CCN(C2CCC2)C1=O
398246856	ZINC000651454071	ref	7.88	-10.04	0	273.38	3.117	1	2	3	C[C@@H](c1cccnc1)N(C)C(=O)NC1CC2(CCC2)C1
398246857	ZINC000651454394	ref	6.83	-8.84	0	288.391	3.427	2	2	3	C[C@@H](c1cccc(O)c1)N(C)C(=O)NC1CC2(CCC2)C1
342599054	ZINC000590838423	ref	6.41	-10.76	0	298.383	1.705	1	4	4	C=C(CC)CNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1
214177471	ZINC000053346130	low	8.42	-44.54	1	338.342	3.222	2	3	4	CC(=O)Nc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1F
342599055	ZINC000590838452	ref	3.4	-11.72	0	291.326	1.658	3	3	6	N#Cc1ccc(CNC(=O)N[C@H](CO)CC2CC2)cc1F
342599056	ZINC000590838302	ref	6.74	-55.55	-1	284.323	1.3	1	4	2	Cc1nc(=NC(=O)N[C@@H](C)c2cccc(C#N)c2)[n-]n1C
214177473	ZINC000053329445	ref	3.53	-13.91	0	347.184	2.341	2	3	6	CCOC(=O)NCCC(=O)NCc1ccc(F)cc1Br
349533294	ZINC000621224311	ref	4.17	-14.43	0	295.33	2.484	1	4	5	Cc1nnc(CC(=O)NCC(C)(C)CC(F)(F)F)s1
365624218	ZINC000625041346	ref	5.29	-13.59	0	318.421	2.034	2	4	7	O=C(CC1CCCCC1)NCCNC(=O)c1cnn(C2CC2)c1
178305206	ZINC000010382622	ref	4.25	-17.85	0	203.245	1.138	1	3	2	Cc1cc2ncn(CC(N)=O)c2cc1C
365624199	ZINC000172831418	ref	6.63	-47.0	1	277.343	1.825	2	2	4	O=C(NC1CC[NH+](CC2CC2)CC1)c1ccncc1F
178293986	ZINC000035855485	ref	7.16	-13.42	0	234.258	2.747	0	3	0	Cc1cc2c3ccccc3n3c(=O)ccc(n1)c23
365624210	ZINC000172836154	ref	2.61	-14.35	0	296.754	1.36	2	3	5	C[C@@H](CNC(=O)[C@@H]1CNC(=O)C1)Oc1cccc(Cl)c1
365624222	ZINC000643087940	ref	7.08	-11.47	0	294.399	1.696	0	6	5	COCc1nnc(N2C[C@H](C)C[C@H]2C)n1C[C@@H]1CCOC1
178293988	ZINC000079048200	ref	6.21	-4.69	0	222.085	3.306	0	1	0	Cc1cc2cc(Br)ccc2cn1
178293992	ZINC000004265954	ref	6.16	-8.82	0	244.338	3.139	2	1	2	Cc1cc2cc(CNC(=O)C(C)(C)C)ccc2[nH]1
365624231	ZINC000643087797	ref	7.2	-11.19	0	296.415	1.942	0	6	7	COCc1nnc(N(C)[C@H](C)C(C)C)n1C[C@@H]1CCOC1
365624239	ZINC000172843700	ref	5.71	-12.97	0	294.376	1.568	1	4	5	COc1cccc(O[C@@H](C)CN2C(=O)[C@@H](C)NC2=S)c1
365624260	ZINC000172841730	ref	4.07	-16.1	0	287.319	1.954	1	5	3	Cc1noc(-c2ccccc2C(=O)NC2CCOCC2)n1
299072438	ZINC000358088920	ref	5.76	-16.76	0	318.381	1.824	1	6	5	CN(C(=O)CCc1nc(-c2nc[nH]n2)no1)[C@@H]1CCC(C)(C)C1
178293997	ZINC000288362781	ref	6.19	-8.94	0	249.285	3.137	1	2	3	Cc1cc2cc(C(=O)N[C@H](C)CF)oc2cc1C
398246859	ZINC000651453161	ref	8.04	-7.18	0	250.386	3.151	1	1	2	CCC1CCN(C(=O)NC2CC3(CCC3)C2)CC1
398246860	ZINC000651454998	ref	7.61	-11.21	0	274.364	3.111	1	2	2	O=C(NC1CC2(CCC2)C1)N1CC[C@@H](c2ccco2)C1
299072440	ZINC000358088268	ref	9.15	-94.07	2	308.47	1.62	3	1	4	CC(C)C[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1
398246864	ZINC000651454199	ref	8.26	-8.41	0	250.386	3.149	1	1	2	CC(C)[C@@H]1CCCN1C(=O)NC1CC2(CCC2)C1
398246865	ZINC000651455098	ref	8.92	-5.68	0	262.397	3.292	1	1	4	C[C@H](C1CC1)N(C(=O)NC1CC2(CCC2)C1)C1CC1
398246867	ZINC000651455040	ref	5.39	-8.31	0	264.398	3.08	1	5	5	CCn1ccnc1[C@H](C)N[C@H](C)c1cnc(C)s1
299072444	ZINC000358088268	mid	9.21	-93.49	2	308.47	1.62	3	1	4	CC(C)C[NH+]1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1
365624275	ZINC000158199041	ref	2.66	-56.66	1	279.731	1.071	2	4	5	[NH3+]CCc1cn(CC(=O)Nc2ccccc2Cl)nn1
178294011	ZINC000286826466	ref	5.65	-38.57	1	245.326	1.654	3	1	4	Cc1cc2cc(CNC(=O)C[NH+](C)C)ccc2[nH]1
349533298	ZINC000621480267	ref	7.64	-7.74	0	283.803	3.207	0	3	3	CCn1ncc(Cl)c1C(=O)N(C)[C@@H]1CCCC[C@@H]1C
178294016	ZINC000286826466	mid	3.26	-9.53	0	245.326	1.654	2	2	4	Cc1cc2cc(CNC(=O)CN(C)C)ccc2[nH]1
214177478	ZINC000053331356	ref	3.92	-14.38	0	325.368	1.792	3	3	5	C[C@H](NC(=O)c1cc2ccccc2cc1NC(=O)C1CC1)C(N)=O
342083835	ZINC000625339786	ref	3.48	-10.03	0	298.427	1.249	1	4	6	CCC[C@H](OCC)C(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
214177481	ZINC000053336848	ref	9.88	-15.53	0	335.432	4.582	1	4	5	C[C@@H](Sc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1
214177487	ZINC000053355653	ref	7.67	-14.74	0	334.416	1.717	0	4	5	COc1ccc(CCC(=O)N2CCCN(C(C)=O)CC2)cc1OC
214177491	ZINC000053328874	ref	4.55	-18.89	0	325.368	1.183	2	3	4	C[C@H](NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1)C(N)=O
214177496	ZINC000053351938	ref	4.93	-13.78	0	331.416	1.762	1	4	5	O=C(CC[C@H]1CCCO1)NC1CCN(C(=O)c2ccncc2)CC1
197598419	ZINC000162891333	ref	5.95	-62.12	-1	300.399	2.134	2	4	5	C[C@H]1CCCC[C@]1(NC(=O)NCCOC(C)(C)C)C(=O)[O-]
197598421	ZINC000162880917	ref	7.36	-52.27	-1	301.412	2.035	0	7	7	COC[C@@H](C)Cc1nnc(SCC(=O)[O-])n1C(C)(C)C
214177501	ZINC000053330593	ref	2.78	-21.96	0	338.198	1.639	1	3	5	CCS(=O)(=O)CC(=O)NCc1ccc(F)cc1Br
214177504	ZINC000053355030	ref	5.76	-16.4	0	330.388	1.482	0	6	4	CC(=O)c1cc(C(=O)N2CCN(Cc3cc(C)no3)CC2)n(C)c1
214177509	ZINC000053325949	ref	2.31	-12.98	0	329.194	1.598	2	3	7	C[C@H](NC(=O)CCCOc1cccc(Br)c1)C(N)=O
343994513	ZINC000139408392	high	0.93	-11.71	0	171.152	-1.135	1	4	2	CCOC(=O)C1C(=O)CNC1=O
214177514	ZINC000053352836	ref	3.02	-19.35	0	334.467	0.3	1	6	9	CCS(=O)(=O)N(C)CCCNC(=O)CSc1nccn1C
214177519	ZINC000053354743	ref	8.14	-15.74	0	339.424	3.316	1	6	5	C[C@@H](Sc1nnnn1C)c1cccc(NC(=O)c2ccccc2)c1
342083836	ZINC000625339786	mid	5.8	-45.55	1	298.427	1.249	2	3	6	CCC[C@H](OCC)C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
342083837	ZINC000625339761	ref	1.36	-15.77	0	276.383	1.132	1	5	5	O=S(=O)(C[C@@H]1CCCCO1)NCc1ccns1
342083838	ZINC000625339761	high	0.97	-42.74	-1	276.383	1.132	0	5	5	O=S(=O)(C[C@@H]1CCCCO1)[N-]Cc1ccns1
190492325	ZINC000269412323	ref	0.27	-13.93	0	256.262	0.552	3	5	5	CC(C)c1n[nH]c(C(=O)NC[C@H](C)O)c1[N+](=O)[O-]
342083839	ZINC000625339249	ref	7.47	-42.9	1	297.443	1.927	2	2	5	CCO[C@@H](C[NH+]1CCN(C(=O)NC(C)(C)C)CC1)C1CC1
342083840	ZINC000625339249	mid	5.07	-7.51	0	297.443	1.927	1	3	5	CCO[C@@H](CN1CCN(C(=O)NC(C)(C)C)CC1)C1CC1
342083841	ZINC000625338330	ref	5.48	-54.68	1	297.443	1.385	2	2	5	CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+]CC(=O)NCC(C)(C)C
342083842	ZINC000625338311	ref	2.68	-11.63	0	286.397	1.874	1	4	8	CCC[C@H](CNS(=O)(=O)c1cnccc1C)OCC
214177486	ZINC000337605076	mid	2.18	-8.79	0	255.362	0.759	1	3	3	CC(C)N1CCN(C(=O)NC[C@H]2CCOC2)CC1
214177490	ZINC000337604799	ref	2.23	-16.62	0	294.351	0.469	1	4	7	CN(C)C(=O)c1ccc(C(=O)N(C)CCOCCO)cc1
214177494	ZINC000337603505	ref	7.64	-8.87	0	299.365	3.422	0	3	4	CC[C@H](C)n1ncc(C(=O)N2CCCC[C@H]2C(F)F)c1C
214177495	ZINC000337603235	ref	-1.56	-9.14	0	273.377	-0.91	1	5	7	C[C@H](C(=O)N(C)CCOCCO)N1CCN(C)CC1
342083843	ZINC000625338713	ref	6.09	-39.57	1	267.417	1.415	1	2	6	CCN(CC(=O)N1CCCC1)C[C@H]1CCC[N@@H+]1CC
342083844	ZINC000625338713	mid	5.24	-7.31	0	267.417	1.415	1	2	6	CCN(CC(=O)N1CCCC1)C[C@H]1CCC[N@H+]1CC
343994515	ZINC000139362687	ref	1.26	-12.29	0	189.236	0.123	0	3	1	CC(C)N1C=CC(=O)CS1(=O)=O
346818962	ZINC000611566055	ref	4.29	-8.95	0	270.31	1.11	1	6	7	C=CCSCCNC(=O)c1cc(C(=O)OC)no1
343994519	ZINC000139373319	ref	2.71	-7.14	0	156.229	0.564	1	2	3	CCC(CC)N1CNCC1=O
365624201	ZINC000122136442	ref	4.77	-7.44	0	285.391	2.391	2	3	4	O=C1CN(c2ccc(NC[C@H]3CC=CCC3)cc2)CCN1
365624214	ZINC000122136442	mid	5.3	-48.18	1	285.391	2.391	2	2	4	O=C1CN(c2ccc([NH2+]C[C@H]3CC=CCC3)cc2)CCN1
365624221	ZINC000122136995	ref	5.11	-8.13	0	279.347	2.429	1	5	3	N#Cc1cnc(NC2CCN(c3ccccc3)CC2)cn1
214177498	ZINC000337603235	mid	0.8	-38.73	1	273.377	-0.91	2	4	7	C[C@H](C(=O)N(C)CCOCCO)N1CC[NH+](C)CC1
214177500	ZINC000337603235	low	0.73	-34.91	1	273.377	-0.91	2	4	7	C[C@H](C(=O)N(C)CCOCCO)[NH+]1CCN(C)CC1
365624237	ZINC000122156811	ref	6.9	-11.51	0	292.423	2.33	1	2	4	CCC[C@@H]1C(=O)NCCN1C(=O)[C@@H]1C[C@@H]1C1CCCCC1
214177503	ZINC000337605436	ref	1.29	-14.32	0	255.318	0.084	2	3	3	CC(C)N1C[C@@H](NC(=O)N[C@H]2CCOC2)CC1=O
214177506	ZINC000337604762	ref	1.83	-14.9	0	273.296	0.594	2	5	5	C[C@H](C(=O)NCC(=O)Nc1cccnc1)n1cccn1
365624259	ZINC000122044509	ref	6.93	-14.9	0	286.379	2.036	0	4	4	C/C=C/C=C/C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1
178294012	ZINC000082788853	ref	6.78	-4.47	0	266.942	4.848	0	1	0	Clc1cc(Cl)c2ccc(Cl)c(Cl)c2n1
187169761	ZINC000125097758	ref	4.44	-12.79	0	277.32	1.865	2	4	7	CCOC(=O)CCCNC(=O)/C=C/c1cccc(O)c1
214177510	ZINC000337602759	ref	0.54	-27.81	0	296.323	-0.368	2	5	9	CN(CCOCCO)C(=O)c1cccc(OCC(N)=O)c1
214177515	ZINC000337603929	ref	5.48	-8.08	0	259.296	2.309	1	2	4	O=C(N[C@@H]1CCC[C@H]1OC(F)F)[C@@H]1[C@H]2CCC[C@H]21
343994522	ZINC000139348192	ref	4.48	-10.01	0	193.177	0.98	0	2	0	CN1C(=O)Cc2ccc(F)cc2C1=O
282120624	ZINC000449149768	ref	7.87	-53.38	-1	291.347	2.025	0	4	5	C[C@@H](COc1ccccc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1
342083845	ZINC000625338713	high	5.24	-7.31	0	267.417	1.415	0	3	6	CCN(CC(=O)N1CCCC1)C[C@H]1CCCN1CC
398246868	ZINC000651455040	low	6.07	-37.87	1	264.398	3.08	1	4	5	CCn1ccnc1[C@H](C)[NH2+][C@H](C)c1cnc(C)s1
349533303	ZINC000621482655	ref	9.61	-10.16	0	277.408	3.405	0	2	5	Cc1ccccc1COCC(=O)N(C)[C@H](C)C(C)(C)C
342083846	ZINC000625338405	ref	1.58	-11.18	0	261.343	1.763	1	4	8	CCC[C@H](CNS(=O)(=O)c1ccoc1)OCC
349533307	ZINC000621483598	ref	5.05	-15.7	0	298.346	3.143	1	4	3	C[C@@H]1CCN(C(=O)Nc2ccc(Oc3cccnn3)cc2)C1
398246869	ZINC000651453394	ref	8.54	-7.31	0	250.386	3.293	1	1	5	CCCCN(C(=O)NC1CC2(CCC2)C1)C1CC1
398246871	ZINC000651454306	ref	7.36	-46.14	1	261.344	3.059	2	1	5	Cc1ccc(F)c(CC[NH2+][C@H](C)c2c[nH]nc2C)c1
365624209	ZINC000637720833	ref	7.93	-48.7	1	291.37	1.933	2	1	3	Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC(F)C3)C2)cc1
365624216	ZINC000637720833	mid	7.93	-48.74	1	291.37	1.933	2	1	3	Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC(F)C3)C2)cc1
342083847	ZINC000625339406	ref	5.9	-56.33	1	261.369	1.737	1	2	3	CC(=O)N1CC[C@@H]([NH2+]Cc2ccncc2C)[C@H](C)C1
349533313	ZINC000621481390	ref	7.76	-10.69	0	294.439	3.023	1	2	5	CC(C)(CNC(=O)N1CC(CC2CC2)C1)[C@@H]1CCCCO1
178294019	ZINC000082788784	ref	7.16	-3.95	0	290.975	4.613	0	1	0	Cc1cc(Cl)c2cc(Cl)cc(Br)c2n1
342083848	ZINC000625338845	ref	4.15	-35.7	1	293.407	1.936	2	3	8	C[C@@H](c1ccccc1)[C@@H](CO)[NH2+]CCOC1CCOCC1
342083849	ZINC000625338400	ref	2.29	-13.85	0	293.429	1.538	1	4	10	CCC[C@H](CNS(=O)(=O)CC[C@H]1CCOC1)OCC
342083850	ZINC000600312181	ref	6.13	-13.85	0	297.33	1.77	1	5	5	COC(=O)[C@@H]1CC[C@@H](C(=O)Nc2cnn(CCF)c2)CC1
282120628	ZINC000449150114	ref	6.03	-96.55	2	298.471	2.018	3	2	9	COCC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1
136228634	ZINC000283254322	ref	10.86	-10.84	0	248.374	2.968	0	4	5	C=C(C)Cn1c([C@H](C)CC)nnc1N1CCCC1
136228635	ZINC000191593793	ref	3.83	-45.62	1	219.288	0.923	2	3	6	C=CC[C@H](CO)[NH2+]Cc1cc(C#N)n(C)c1
136228636	ZINC000191593793	high	2.55	-8.15	0	219.288	0.923	2	4	6	C=CC[C@H](CO)NCc1cc(C#N)n(C)c1
370645427	ZINC000566200443	mid	6.12	-85.91	2	269.433	1.693	2	1	6	CC[N@H+]1CCCC[C@H]1C(=O)N(C)CC[C@@H]([NH3+])C(C)C
342083851	ZINC000625339080	ref	3.9	-9.32	0	290.335	1.993	0	3	2	C[C@H]1CN(S(=O)(=O)c2ccncc2)C[C@H](C)C1(F)F
136228637	ZINC000283269235	ref	4.36	-8.52	0	209.289	1.329	1	2	2	CC#CC(=O)N[C@@H]1CCO[C@H](C(C)C)C1
197598429	ZINC000290109826	ref	4.19	-11.62	0	258.321	2.175	3	2	4	Cc1cc[nH]c1C(=O)N[C@H](C)[C@H](O)c1ccccc1
342599057	ZINC000590838302	low	7.1	-24.13	0	284.323	1.3	2	4	2	Cc1nc(=NC(=O)N[C@@H](C)c2cccc(C#N)c2)[nH]n1C
342599058	ZINC000616991074	ref	6.61	-45.26	1	268.401	1.982	2	2	6	CC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599059	ZINC000616991074	mid	6.61	-45.96	1	268.401	1.982	2	2	6	CC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599060	ZINC000616991305	ref	5.37	-40.56	1	296.44	1.951	2	4	4	CCc1nnsc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
178294018	ZINC000035325045	ref	8.04	-6.95	0	236.318	3.736	1	2	1	Cc1cc2cc(-c3ccccc3)n(C)c2cc1N
214177507	ZINC000278474498	ref	10.75	-105.37	2	310.445	2.836	2	2	6	c1ccc(-n2cc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2)cc1
342599061	ZINC000616991305	mid	5.38	-40.89	1	296.44	1.951	2	4	4	CCc1nnsc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599062	ZINC000616991306	ref	5.36	-41.22	1	296.44	1.951	2	4	4	CCc1nnsc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599063	ZINC000616991306	mid	5.31	-40.87	1	296.44	1.951	2	4	4	CCc1nnsc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214177508	ZINC000278474498	high	9.51	-35.71	1	310.445	2.836	2	3	6	c1ccc(-n2cc(CNCC3CC[NH+](C4CC4)CC3)cn2)cc1
342599064	ZINC000590838410	ref	3.9	-13.72	0	281.356	1.126	1	4	4	CCO[C@@H]1COC[C@H]1NC(=O)N1CCC(CC#N)CC1
214177513	ZINC000278473669	ref	6.67	-41.0	1	318.396	2.79	1	4	4	Cc1c([C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)nnn1-c1ccc(F)cc1
342599065	ZINC000616991394	ref	8.62	-20.66	0	298.331	1.779	1	7	3	O=C(Cn1ccc2ccccc21)Nc1nn2cnnc2s1
398246870	ZINC000191981838	ref	5.87	-30.12	1	202.301	2.626	0	1	1	Cc1c[nH+]ccc1N1C[C@H]2CCC[C@@H]2C1
214177517	ZINC000278473669	high	5.76	-9.78	0	318.396	2.79	1	5	4	Cc1c([C@H](C)N[C@H]2CCOC[C@@H]2C)nnn1-c1ccc(F)cc1
230234898	ZINC000354805757	low	1.9	-43.38	1	288.344	-0.863	3	5	6	CCOC(=O)[C@@](C)(O)C[N@H+]1CCO[C@H](CNC(C)=O)C1
230234904	ZINC000354819993	ref	1.93	-20.28	0	296.375	-0.331	0	7	6	CCCCN1CCOC[C@H]1C(=O)N(C)Cc1nnnn1C
230234912	ZINC000354819993	low	4.37	-45.68	1	296.375	-0.331	1	6	6	CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1nnnn1C
230234919	ZINC000354819993	low	4.05	-48.53	1	296.375	-0.331	1	6	6	CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1nnnn1C
230234933	ZINC000354800055	ref	1.3	-23.46	0	294.315	-0.924	2	5	6	CN(CCn1cccn1)C(=O)NCCN1C(=O)CNC1=O
230234946	ZINC000354771448	ref	1.0	-11.75	0	288.344	-0.909	1	6	9	COCCN(CC(=O)OC)C[C@H](O)CN1CCCC1=O
178294022	ZINC000357059510	ref	5.13	-43.6	1	244.338	2.453	1	2	3	Cc1cc2cc(CN(C)C3C[NH2+]C3)oc2cc1C
178294026	ZINC000032099226	ref	7.24	-48.92	-1	215.252	2.858	0	3	1	Cc1cc2cc(C(=O)[O-])c(C)nc2cc1C
178294029	ZINC000353817045	ref	8.71	-38.03	1	242.366	3.755	2	0	5	Cc1cc2cc(C[NH2+][C@H](C)CC3CC3)ccc2[nH]1
178294032	ZINC000262688430	ref	6.4	-29.64	1	242.326	1.914	4	2	2	Cc1cc2cc(CNC3=[NH+]C[C@H](C)N3)ccc2[nH]1
365624219	ZINC000336544486	ref	8.83	-16.83	0	262.357	2.152	0	4	2	C[C@@H]1c2nncn2CCN1C(=O)CC1CCCCC1
178294036	ZINC000353134341	ref	8.35	-39.56	1	242.366	3.755	2	0	3	Cc1cc2cc(C[NH2+][C@H]3CC[C@H](C)C3)ccc2[nH]1
365624228	ZINC000336544548	ref	7.86	-15.74	0	278.306	2.176	0	4	3	C[C@H]1c2nncn2CCN1CCc1ccc(F)c(F)c1
178294039	ZINC000000429815	ref	5.7	-9.11	0	228.295	2.503	2	1	3	Cc1cc2cc(CNC(=O)C3CC3)ccc2[nH]1
178294042	ZINC000000287816	ref	6.24	-13.24	0	219.671	3.318	0	2	1	Cc1cc2cc(C=O)c(Cl)nc2cc1C
178294044	ZINC000000482558	ref	4.18	-5.88	0	234.295	2.488	1	3	0	Cc1cc2c3c(c1)OC(C)(C)C[C@@H]3O[C@@H](O)C2
178294047	ZINC000026578408	ref	7.92	-47.76	1	226.323	2.542	1	1	0	Cc1cc2c3c(c1)c1c(n3CC[NH2+]C2)CCC1
365624236	ZINC000336544548	low	10.0	-63.23	1	278.306	2.176	1	3	3	C[C@H]1c2nncn2CC[N@H+]1CCc1ccc(F)c(F)c1
365624243	ZINC000336544548	low	10.27	-62.36	1	278.306	2.176	1	3	3	C[C@H]1c2nncn2CC[N@@H+]1CCc1ccc(F)c(F)c1
365624248	ZINC000336544394	ref	3.15	-14.66	0	277.349	2.287	2	4	3	COc1csc(C(=O)N[C@H]2CCCc3c[nH]nc32)c1
365624252	ZINC000336544394	mid	3.17	-11.09	0	277.349	2.287	2	4	3	COc1csc(C(=O)N[C@H]2CCCc3cn[nH]c32)c1
398246872	ZINC000651454306	mid	7.3	-42.24	1	261.344	3.059	2	1	5	Cc1ccc(F)c(CC[NH2+][C@H](C)c2cn[nH]c2C)c1
178294049	ZINC000026578408	high	6.62	-6.59	0	226.323	2.542	1	2	0	Cc1cc2c3c(c1)c1c(n3CCNC2)CCC1
178294052	ZINC000079514746	ref	7.86	-7.61	0	243.306	3.284	0	2	2	Cc1cc2cc(C(=O)N(C)C3CC3)oc2cc1C
178294058	ZINC000079961488	ref	6.93	-6.84	0	243.306	3.188	1	2	2	Cc1cc2cc(C(=O)N[C@H]3C[C@H]3C)oc2cc1C
342083852	ZINC000625339190	ref	3.19	-12.27	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2ccn(C)n2)C[C@@H](C)C1(F)F
398246874	ZINC000651454306	high	6.23	-7.47	0	261.344	3.059	2	2	5	Cc1ccc(F)c(CCN[C@H](C)c2c[nH]nc2C)c1
365624257	ZINC000336543772	ref	7.4	-16.37	0	256.305	2.28	0	3	2	CN(C(=O)C1CCC(=O)CC1)c1ccc(C#N)cc1
342083853	ZINC000625339940	ref	1.57	-10.76	0	286.397	1.752	2	4	8	CCC[C@H](CNS(=O)(=O)c1cccc(N)c1)OCC
343994516	ZINC000599272419	mid	2.15	-9.95	0	296.411	1.557	1	5	4	C[C@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
365624220	ZINC000623054273	ref	4.71	-50.12	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cn1
282120627	ZINC000533447541	ref	4.97	-39.68	1	278.352	1.744	2	3	5	COc1ccccc1NC(=O)C[N@H+](C)C1CCOCC1
282120634	ZINC000533447541	mid	5.01	-39.93	1	278.352	1.744	2	3	5	COc1ccccc1NC(=O)C[N@@H+](C)C1CCOCC1
365624230	ZINC000623054028	ref	4.04	-65.58	1	300.366	1.362	3	4	5	[NH3+]CCCNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
214177520	ZINC000337604930	ref	4.54	-46.25	1	271.361	0.723	3	3	6	CC(C)(C)OC(=O)CCNC(=O)NCC[NH+]1CCC1
214177523	ZINC000337604930	mid	1.36	-14.37	0	271.361	0.723	2	4	6	CC(C)(C)OC(=O)CCNC(=O)NCCN1CCC1
214177528	ZINC000337605078	ref	4.57	-43.23	1	255.362	0.759	2	2	3	CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CCOC2)CC1
214177531	ZINC000337605078	mid	2.19	-9.31	0	255.362	0.759	1	3	3	CC(C)N1CCN(C(=O)NC[C@@H]2CCOC2)CC1
342083854	ZINC000625339299	ref	6.57	-47.8	1	268.401	1.648	1	2	6	CCO[C@H](C[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1C)C1CC1
398246873	ZINC000191987970	ref	1.83	-52.53	1	241.335	0.098	2	2	6	C[C@H](C(=O)NCCCN1CCCC1=O)[C@@H](C)[NH3+]
365624240	ZINC000623055126	ref	1.36	-55.39	1	311.407	1.211	3	3	4	CS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1
365624246	ZINC000623055023	ref	7.26	-48.61	1	319.796	1.569	1	4	2	C[C@H]1C[NH2+]CCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
342083855	ZINC000625338402	ref	2.22	-14.18	0	293.429	1.538	1	4	10	CCC[C@H](CNS(=O)(=O)CC[C@@H]1CCOC1)OCC
342083856	ZINC000625339883	ref	4.57	-10.8	0	297.443	1.481	1	3	5	CCCN1CCN(CC(=O)NCC(C)(C)C)C(C)(C)C1=O
365624254	ZINC000623055023	mid	5.93	-5.87	0	319.796	1.569	1	5	2	C[C@H]1CNCCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
197598434	ZINC000162880972	ref	3.67	-44.26	1	300.362	1.447	2	4	5	C[C@H](NC(=O)[C@@H]1CC[NH2+]C1)c1nc(Cc2ccccc2)no1
214177535	ZINC000337602686	ref	0.95	-10.06	0	274.361	0.006	2	4	10	CC(C)CCC(=O)NCC(=O)N(C)CCOCCO
365624264	ZINC000623054059	ref	5.66	-66.64	1	312.377	1.456	2	4	2	[NH3+][C@@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1
342083857	ZINC000625338322	ref	1.63	-12.2	0	263.388	1.065	1	4	6	CC(C)CN(C)S(=O)(=O)NCc1ccns1
214177540	ZINC000337605420	ref	5.73	-14.69	0	299.365	3.072	2	2	4	Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCC1CCC(F)(F)CC1
342083858	ZINC000625339053	ref	6.74	-16.0	0	286.375	1.876	1	2	2	C[C@H](C(=O)N1CCCc2ccccc2C1)[C@H]1CCC(=O)N1
370645371	ZINC000566203478	ref	4.2	-49.09	1	299.374	1.661	2	3	2	Cc1cccc2c(O)c(C(=O)N(C)C3CC[NH2+]CC3)cnc12
282120631	ZINC000248955587	ref	1.79	-18.32	0	311.415	1.6	0	9	7	CCS[C@@H](C)c1noc(CN(C)[C@H](C)c2nnnn2C)n1
282120638	ZINC000248957978	ref	3.82	-12.53	0	324.429	1.601	0	7	2	C[C@H]1CN([C@H](C)c2nnnn2C)C[C@@H](C)N1C(=O)OC(C)(C)C
282120644	ZINC000248959440	ref	1.07	-16.04	0	305.362	1.445	1	4	8	CCN(C[C@H](O)CC(F)(F)F)[C@H](C)CS(=O)(=O)CC
365624225	ZINC000637720833	high	5.49	-12.82	0	291.37	1.933	1	2	3	Cc1ccc(CN2CC[C@H](NC(=O)N3CC(F)C3)C2)cc1
365624232	ZINC000274327361	ref	3.1	-10.73	0	292.379	1.746	3	3	8	CCC[C@@H](CC)NC(=O)CNC(=O)Cc1ccc(O)cc1
370645375	ZINC000566203478	high	5.81	-67.03	0	299.374	1.661	1	2	2	Cc1cccc2c(=O)c(C(=O)N(C)C3CC[NH2+]CC3)c[n-]c12
342599066	ZINC000590838219	ref	7.16	-55.4	-1	296.334	1.226	1	4	1	Cc1nc(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[n-]n1C
365624242	ZINC000274326766	ref	1.19	-6.13	0	294.399	1.157	2	5	6	CCOc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)ncn1
365624249	ZINC000274326766	mid	3.64	-35.82	1	294.399	1.157	2	5	6	CCOc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](CC)C2)ncn1
365624255	ZINC000274326766	mid	1.19	-6.13	0	294.399	1.157	1	6	6	CCOc1cc(N2CCN(C[C@H](C)O)[C@@H](CC)C2)ncn1
370645376	ZINC000566201746	ref	5.73	-59.26	1	292.427	1.283	1	3	4	CCc1nn(C)c(CC)c1CC(=O)N1CC[C@H]([NH3+])[C@H](C)C1
370645377	ZINC000566201031	ref	2.77	-51.3	1	265.382	1.673	3	3	5	CSCC[C@@H]([NH3+])C(=O)Nc1cccc2c1CCN2
370645380	ZINC000566201031	high	2.47	-9.04	0	265.382	1.673	3	4	5	CSCC[C@@H](N)C(=O)Nc1cccc2c1CCN2
214177521	ZINC000278475420	ref	9.84	-10.0	0	310.405	2.76	1	6	3	Cc1ccc([C@H](C)N(C)c2nc(N)c3cnn(C)c3n2)c(C)c1
365624269	ZINC000274324732	ref	4.46	-10.46	0	262.313	1.653	1	4	1	O=C(Nc1cncnc1)N1CCOC2(CCCC2)C1
214177524	ZINC000278475420	low	10.17	-32.48	1	310.405	2.76	1	5	3	Cc1ccc([C@H](C)N(C)c2nc3c(cnn3C)c(N)[nH+]2)c(C)c1
282120648	ZINC000248959440	mid	3.09	-46.96	1	305.362	1.445	2	3	8	CC[N@H+](C[C@H](O)CC(F)(F)F)[C@H](C)CS(=O)(=O)CC
282120651	ZINC000248959440	mid	2.8	-47.77	1	305.362	1.445	2	3	8	CC[N@@H+](C[C@H](O)CC(F)(F)F)[C@H](C)CS(=O)(=O)CC
282120658	ZINC000248955531	ref	0.03	-12.53	0	300.786	1.342	3	4	7	C[C@H](O)CN(CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CO
259308819	ZINC000083991526	ref	7.34	-42.0	-1	217.228	1.695	0	5	2	O=C([O-])c1ccc2nc(C3CCC3)nn2c1
365624279	ZINC000274324952	ref	5.6	-21.96	0	284.385	1.418	2	5	6	CC(C)CONC(=O)NCCc1cn2c(n1)SCC2
168365344	ZINC000083347215	ref	6.47	-2.86	0	212.724	3.583	1	2	5	CCC(CC)CNc1ccc(Cl)cn1
282120632	ZINC000335927865	ref	6.91	-41.28	1	271.43	1.474	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CSC2(C)C)C1
349533304	ZINC000594965722	ref	7.84	-47.1	1	288.42	2.666	1	3	9	C=CCCSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1
214177522	ZINC000053355334	ref	8.61	-16.39	0	345.226	2.453	0	3	3	CC(=O)N1CCCN(C(=O)COc2ccc(Cl)cc2Cl)CC1
214177526	ZINC000053328867	ref	4.5	-17.25	0	325.368	1.183	2	3	4	C[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1)C(N)=O
214177529	ZINC000053347439	ref	6.49	-10.7	0	347.459	3.004	2	4	4	CCNC(=O)C1(Nc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
282120640	ZINC000354949024	ref	8.67	-45.46	1	306.372	2.765	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)C1
349533306	ZINC000594965722	mid	6.48	-6.65	0	288.42	2.666	1	4	9	C=CCCSCC[NH2+]Cc1ccnn1-c1ccncc1
342083859	ZINC000625339787	ref	4.37	-9.89	0	298.427	1.249	1	4	6	CCC[C@H](OCC)C(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
342083860	ZINC000625339787	mid	6.21	-42.8	1	298.427	1.249	2	3	6	CCC[C@H](OCC)C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
178294034	ZINC000082788870	ref	6.34	-2.98	0	276.948	4.304	0	1	0	Clc1cc(Cl)c2ccc(Br)cc2n1
398246875	ZINC000651454020	ref	7.95	-8.43	0	273.38	3.117	1	2	3	C[C@H](c1ccccn1)N(C)C(=O)NC1CC2(CCC2)C1
398246876	ZINC000651454168	ref	7.38	-8.19	0	262.353	3.315	1	2	3	C[C@H](c1ccco1)N(C)C(=O)NC1CC2(CCC2)C1
398246882	ZINC000651453033	ref	8.75	-10.25	0	270.376	3.476	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC[C@H]1c1ccccc1
349533310	ZINC000594965722	high	6.48	-6.65	0	288.42	2.666	1	5	9	C=CCCSCCNCc1ccnn1-c1ccncc1
398246887	ZINC000651454169	ref	7.45	-8.25	0	262.353	3.315	1	2	3	C[C@@H](c1ccco1)N(C)C(=O)NC1CC2(CCC2)C1
214177533	ZINC000053339104	ref	6.77	-21.71	0	331.199	2.109	1	3	4	CNC(=O)[C@H]1CCCN1C(=O)COc1ccc(Cl)c(Cl)c1
214177538	ZINC000053330028	ref	4.75	-14.8	0	340.47	1.924	2	5	6	C[C@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(N)=O
342083861	ZINC000625338276	ref	0.81	-40.52	-1	273.339	1.059	1	6	5	Cc1cc(CS(=O)(=O)NCc2ccns2)on1
342083862	ZINC000625338276	high	0.81	-40.52	-1	273.339	1.059	0	6	5	Cc1cc(CS(=O)(=O)[N-]Cc2ccns2)on1
342083863	ZINC000625338417	ref	0.28	-47.54	-1	278.399	1.627	1	5	8	CCC[C@@H](CNS(=O)(=O)c1cscn1)OCC
178294040	ZINC000082788878	ref	4.83	-15.22	0	258.14	2.469	0	2	2	C[C@H](C#N)[S@@](=O)c1ccc(Br)cc1
342083864	ZINC000625338417	high	0.28	-47.54	-1	278.399	1.627	0	5	8	CCC[C@@H](C[N-]S(=O)(=O)c1cscn1)OCC
214177527	ZINC000278475289	ref	6.34	-8.87	0	312.207	2.912	1	2	2	Cc1cccc(C(=O)N[C@H]2CCOC[C@H]2C)c1Br
282120633	ZINC000449150114	mid	5.53	-100.64	2	298.471	2.018	3	2	9	COCC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1
214177532	ZINC000278474095	ref	5.71	-21.14	0	316.357	1.641	1	5	5	COc1ccc(OC)c(C(=O)NCc2ccc(C)n(C)c2=O)c1
342599067	ZINC000590838219	low	7.52	-22.86	0	296.334	1.226	2	4	1	Cc1nc(=NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)[nH]n1C
197598444	ZINC000162878880	ref	4.58	-11.89	0	301.188	2.122	2	4	2	C[C@H]1CCC[C@@H](C)N1Nc1cn[nH]c(=O)c1Br
365624229	ZINC000625041727	ref	4.98	-9.39	0	322.424	2.398	1	3	4	CC(C)(C)CC(=O)N1CCN(Cc2cc(CO)ccc2F)CC1
214177536	ZINC000278475833	ref	6.51	-39.07	1	309.429	2.462	1	3	7	CCC[C@@H]1CN(Cc2ccc(F)nc2C)CC[N@@H+]1CCOC
282120639	ZINC000449149722	ref	4.52	-8.31	0	259.353	2.362	2	3	3	Nc1ccc(C(=O)N[C@@H]2C[C@H]2C2CCCCC2)nc1
365624233	ZINC000625041727	low	7.18	-43.62	1	322.424	2.398	2	2	4	CC(C)(C)CC(=O)N1CC[NH+](Cc2cc(CO)ccc2F)CC1
365624244	ZINC000625039865	ref	4.92	-11.09	0	301.383	2.233	1	3	7	CO[C@@H](CS(=O)(=O)NCC1(C)CC1)c1ccc(F)cc1
365624251	ZINC000625040653	ref	8.2	-18.26	0	315.348	2.416	1	3	3	O=C(c1cc(=O)[nH]cn1)N1CCC(Cc2ccc(F)cc2)CC1
365624256	ZINC000625040653	high	7.05	-43.91	-1	315.348	2.416	0	3	3	O=C(c1cc(=O)[n-]cn1)N1CCC(Cc2ccc(F)cc2)CC1
214177539	ZINC000278475833	mid	7.12	-38.74	1	309.429	2.462	1	3	7	CCC[C@@H]1CN(Cc2ccc(F)nc2C)CC[N@H+]1CCOC
214177542	ZINC000278475833	high	5.09	-6.32	0	309.429	2.462	0	4	7	CCC[C@@H]1CN(Cc2ccc(F)nc2C)CCN1CCOC
282120642	ZINC000449150178	ref	6.14	-37.34	1	278.396	2.096	2	2	9	CCC[NH2+][C@@H](C)C(=O)N[C@H](C)COCc1ccccc1
282120646	ZINC000449149833	ref	7.51	-37.88	1	278.318	2.318	1	1	7	C[C@@H]([NH2+]C1CC1)C(=O)N(CCC(F)(F)F)CC1CC1
282120652	ZINC000449149833	high	6.46	-8.7	0	278.318	2.318	1	2	7	C[C@@H](NC1CC1)C(=O)N(CCC(F)(F)F)CC1CC1
282120657	ZINC000449149920	ref	5.64	-53.63	1	294.37	2.101	2	2	6	C[C@@H]1C[C@@H]([NH2+]CCCNC(=O)c2cccc(F)c2)[C@@H](C)O1
365624266	ZINC000625040620	ref	7.08	-14.68	0	300.402	2.226	1	2	3	Cc1ccccc1[C@@H]1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)C1
365624272	ZINC000625038827	ref	4.47	-11.37	0	319.467	2.022	0	4	6	CCOC1(CS(=O)(=O)N2C[C@@H](C)C[C@H]2CC)CCOCC1
365624278	ZINC000625039864	ref	4.38	-10.23	0	301.383	2.233	1	3	7	CO[C@H](CS(=O)(=O)NCC1(C)CC1)c1ccc(F)cc1
342599068	ZINC000590838434	ref	2.68	-11.52	0	271.336	1.431	2	3	3	CC(C)(O)C(C)(C)CNC(=O)N1CC[C@@](F)(C#N)C1
365624234	ZINC000617390058	mid	4.52	-12.39	0	290.367	0.937	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CCO1
365624235	ZINC000617390058	mid	4.52	-12.07	0	290.367	0.937	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CCO1
214177534	ZINC000293487485	mid	2.94	-55.13	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@H]1CCOC1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1
214177537	ZINC000293487485	mid	3.03	-54.69	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@H]1CCOC1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1
342083865	ZINC000625338920	ref	5.24	-43.18	-1	279.34	1.603	1	4	5	CCCN(C[C@H]1CCCCO1)C(=O)c1cc(=O)[nH]cn1
214177541	ZINC000293486094	ref	0.61	-15.5	0	353.331	0.108	3	7	6	COC(=O)Nc1cccc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c1
365624241	ZINC000617387756	ref	3.89	-40.33	-1	265.313	0.767	0	4	2	Cn1[n-]c(C(=O)N2CCO[C@](C)(C3CC3)C2)cc1=O
365624247	ZINC000617390235	ref	2.91	-17.88	0	266.341	0.525	1	3	3	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CC[C@@H]2C(N)=O)CCO1
342083866	ZINC000625338920	high	5.24	-43.18	-1	279.34	1.603	0	4	5	CCCN(C[C@H]1CCCCO1)C(=O)c1cc(=O)[n-]cn1
342083867	ZINC000625339785	ref	3.71	-11.23	0	298.427	1.249	1	4	6	CCC[C@H](OCC)C(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1
214177552	ZINC000293477965	ref	3.24	-11.94	0	356.43	0.816	1	6	3	C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C[C@@H](C)N1C
214177556	ZINC000293477965	mid	5.44	-41.85	1	356.43	0.816	2	5	3	C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C[C@@H](C)[N@@H+]1C
365624253	ZINC000617390542	ref	6.72	-14.95	0	291.351	0.661	0	5	4	C[C@]1(C2CC2)CN(C(=O)CCn2cnccc2=O)CCO1
214177558	ZINC000293477965	mid	5.04	-42.21	1	356.43	0.816	2	5	3	C[C@H]1CN(C(=O)C(=O)Nc2cnn(Cc3ccncc3)c2)C[C@@H](C)[N@H+]1C
214177562	ZINC000293477847	ref	8.65	-55.14	1	359.434	0.146	2	7	6	Cn1cnn(CCC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)c1=O
214177567	ZINC000293482485	ref	1.19	-10.15	0	354.476	0.944	3	5	6	CNC(=O)[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCO[C@@H](C)C1
214177569	ZINC000293482485	low	2.69	-39.68	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@@H](C)C1
342083868	ZINC000625339785	mid	5.7	-47.61	1	298.427	1.249	2	3	6	CCC[C@H](OCC)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
214177571	ZINC000293482485	low	2.73	-40.03	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@@H](C)C1
342083869	ZINC000625338666	ref	3.1	-8.12	0	260.403	1.647	2	2	7	CCNS(=O)(=O)NCC(C1CCC1)C1CCC1
214177543	ZINC000337602274	ref	5.36	-9.0	0	286.379	2.19	2	5	5	O[C@@H]1CCCC[C@@H]1CCCNc1ncnc2ccncc12
342083870	ZINC000625339250	ref	7.37	-42.66	1	297.443	1.927	2	2	5	CCO[C@H](C[NH+]1CCN(C(=O)NC(C)(C)C)CC1)C1CC1
342083871	ZINC000625339250	mid	4.98	-6.75	0	297.443	1.927	1	3	5	CCO[C@H](CN1CCN(C(=O)NC(C)(C)C)CC1)C1CC1
214177547	ZINC000337605027	ref	8.83	-13.6	0	266.41	3.362	1	3	7	CCc1cccnc1NC(=O)CSCCC(C)C
342083872	ZINC000625339675	ref	2.01	-10.9	0	275.399	1.209	1	4	4	CC1CCN(S(=O)(=O)NCc2ccns2)CC1
214177548	ZINC000337604252	ref	3.99	-13.82	0	299.371	0.641	2	4	8	COC(=O)CCCCCNC(=O)NCC(=O)N1CCCC1
214177549	ZINC000337603487	ref	4.97	-14.02	0	288.347	3.167	2	4	3	Cc1cc(CC(=O)Nc2ccc(C(C)(C)C)cc2O)no1
214177553	ZINC000337603487	high	5.72	-50.61	-1	288.347	3.167	1	4	3	Cc1cc(CC(=O)Nc2ccc(C(C)(C)C)cc2[O-])no1
342083873	ZINC000032712720	ref	3.19	-7.82	0	292.166	1.586	2	3	4	CC(C)NC(=O)CNC(=O)c1cc(Cl)c(Cl)n1C
214177557	ZINC000337603876	ref	3.59	-20.24	0	269.345	0.521	1	5	10	CCN(CCOCCO)C(=O)CCCn1cccn1
214177561	ZINC000337604220	ref	5.95	-13.32	0	268.401	2.33	1	2	6	CCCC(=O)N[C@H]1CCCN(C(=O)C(CC)CC)C1
342083874	ZINC000625338842	ref	4.13	-35.33	1	293.407	1.936	2	3	8	C[C@H](c1ccccc1)[C@H](CO)[NH2+]CCOC1CCOCC1
214177563	ZINC000337603828	ref	3.62	-13.66	0	298.387	2.353	1	5	7	CO[C@@H](C)c1noc(CN(C)C(=O)N[C@H](C)CC(C)C)n1
214177566	ZINC000337604251	ref	9.51	-11.13	0	285.387	3.115	0	2	4	CN(C[C@H]1OCCc2ccccc21)C(=O)C[C@@H]1C=CCC1
214177570	ZINC000337603977	ref	0.9	-14.67	0	272.345	-0.241	2	4	7	CCN(CCOCCO)C(=O)[C@H]1CC(=O)N[C@H](C)C1
214177572	ZINC000337605711	ref	4.88	-14.73	0	260.341	2.203	3	2	5	CC[C@H](C)NC(=O)NCCc1c[nH]c2ncccc12
342088554	ZINC000121502558	mid	7.21	-84.31	2	290.411	1.751	1	2	3	CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1
178294056	ZINC000082788927	ref	5.41	-18.53	0	258.14	2.47	0	2	3	N#CCC[S@@](=O)c1ccccc1Br
214177575	ZINC000337605048	ref	8.49	-14.78	0	264.369	3.034	1	3	7	CCc1cccnc1NC(=O)[C@H](C)OCCC(C)C
214177579	ZINC000337602051	ref	3.66	-16.77	0	259.346	0.801	1	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC(C)(C)O1
342088555	ZINC000121357163	ref	6.3	-16.93	0	274.324	1.186	1	5	6	CCOc1cccnc1C(=O)NCCc1cncn1C
342088556	ZINC000121357163	low	6.81	-39.44	1	274.324	1.186	1	4	6	CCOc1cccnc1C(=O)NCCc1c[nH+]cn1C
349533308	ZINC000621222316	ref	7.7	-15.54	0	283.375	2.367	1	3	5	CC1(C)C[C@@]1(CNC(=O)Cn1cccn1)c1ccccc1
214177545	ZINC000053325750	ref	8.48	-16.33	0	342.483	3.29	2	2	6	Cc1cc(C)cc(C2(C(=O)NCCC(=O)NC3CCCC3)CCC2)c1
342599069	ZINC000590838395	ref	3.68	-16.99	0	281.356	1.126	1	4	3	CCO[C@@H]1COC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1
342599070	ZINC000590838451	ref	3.54	-11.82	0	291.326	1.658	3	3	6	N#Cc1ccc(CNC(=O)N[C@@H](CO)CC2CC2)cc1F
214177551	ZINC000053327979	ref	3.53	-10.2	0	342.823	2.377	2	4	8	COc1cc(C(=O)N[C@@H](C)C(N)=O)cc(Cl)c1OCCC(C)C
214177555	ZINC000053346480	ref	7.25	-13.35	0	343.814	2.447	1	3	5	O=C(NCCc1cccnc1)[C@H]1CCN(c2ccc(Cl)cc2)C1=O
365624261	ZINC000617388167	ref	2.88	-17.27	0	267.329	0.038	1	3	2	CN1C[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)NC1=O
214177560	ZINC000053337769	ref	6.45	-18.77	0	337.379	2.274	1	4	7	NC(=O)CCN(Cc1ccccc1)C(=O)Cc1noc2ccccc12
214177577	ZINC000053330600	ref	6.24	-13.79	0	343.427	2.482	1	4	4	Cc1cc(C(=O)CN2CCN(C(=O)c3cc(C)oc3C)CC2)c(C)[nH]1
365624274	ZINC000617390667	ref	3.61	-14.79	0	266.341	0.683	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCCC(=O)N2)CCO1
214177581	ZINC000053349931	ref	9.11	-52.18	1	345.487	2.273	2	2	8	CCCC(=O)N1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1
365624280	ZINC000617390668	ref	3.92	-14.5	0	266.341	0.683	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCCC(=O)N2)CCO1
365624288	ZINC000617389642	ref	7.92	-16.94	0	287.323	0.765	0	6	2	C[C@]1(C2CC2)CN(C(=O)c2nc3ncccn3n2)CCO1
214177585	ZINC000053349931	mid	9.1	-52.04	1	345.487	2.273	2	2	8	CCCC(=O)N1CCC(C(=O)NCC[N@@H+](C)Cc2ccccc2)CC1
214177587	ZINC000053349931	high	6.78	-14.39	0	345.487	2.273	1	3	8	CCCC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1
342599071	ZINC000590838435	ref	2.66	-11.22	0	271.336	1.431	2	3	3	CC(C)(O)C(C)(C)CNC(=O)N1CC[C@](F)(C#N)C1
342599072	ZINC000616991351	ref	5.98	-18.98	0	274.309	1.07	1	7	3	Cc1ccc(CC(=O)Nc2nn3cnnc3s2)cn1
214177593	ZINC000053355394	ref	10.74	-17.79	0	336.435	2.899	0	2	3	CC(=O)N1CCCN(C(=O)C(c2ccccc2)c2ccccc2)CC1
214177596	ZINC000053330032	ref	4.75	-14.77	0	340.47	1.924	2	5	6	C[C@@H](NC(=O)COc1ccc(C2SCCCS2)cc1)C(N)=O
306234528	ZINC000557843295	ref	8.21	-16.02	0	345.443	1.816	1	3	4	CCNC(=O)N1CCN(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)CC1
214177603	ZINC000053328552	ref	3.02	-10.15	0	328.796	2.131	2	4	8	CCCCOc1c(Cl)cc(C(=O)N[C@@H](C)C(N)=O)cc1OC
365624268	ZINC000336544411	ref	5.78	-8.25	0	295.404	2.467	0	4	1	Cc1ccc(C(=O)N2C[C@H](C)O[C@@]3(CCCOC3)C2)s1
365624273	ZINC000336544063	ref	7.99	-43.03	1	276.38	2.317	1	2	3	CCc1oc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1C
365624277	ZINC000336544063	mid	5.57	-7.37	0	276.38	2.317	0	3	3	CCc1oc(C(=O)N(C)[C@H]2CN3CCC2CC3)cc1C
342083875	ZINC000625340518	ref	3.29	-4.81	0	255.358	1.293	0	4	5	C1CC(OCCN2CCO[C@@H](C3CC3)C2)CCO1
342083876	ZINC000625340518	mid	5.26	-35.37	1	255.358	1.293	1	3	5	C1CC(OCC[N@@H+]2CCO[C@@H](C3CC3)C2)CCO1
178294064	ZINC000082788684	ref	5.66	-6.45	0	252.111	3.314	0	2	1	COc1cccc2nc(C)cc(Br)c12
282120636	ZINC000533447541	mid	2.78	-9.32	0	278.352	1.744	1	4	5	COc1ccccc1NC(=O)CN(C)C1CCOCC1
365624282	ZINC000336544395	ref	3.15	-14.64	0	277.349	2.287	2	4	3	COc1csc(C(=O)N[C@@H]2CCCc3c[nH]nc32)c1
365624289	ZINC000336544395	mid	3.17	-11.08	0	277.349	2.287	2	4	3	COc1csc(C(=O)N[C@@H]2CCCc3cn[nH]c32)c1
342083877	ZINC000625340518	mid	5.65	-36.03	1	255.358	1.293	1	3	5	C1CC(OCC[N@H+]2CCO[C@@H](C3CC3)C2)CCO1
365624296	ZINC000336544499	ref	6.77	-14.02	0	291.347	2.113	0	4	2	COC(=O)c1cccc(C(=O)N2CC(C)(C)OC[C@@H]2C)c1
342083878	ZINC000625341762	ref	2.42	-9.63	0	271.329	1.186	0	3	4	COCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
282120641	ZINC000533447752	ref	3.74	-10.24	0	290.289	1.41	2	4	4	CNC(=O)C(C)(C)CNc1cc(C(F)(F)F)nc(C)n1
178294070	ZINC000082788852	ref	6.55	-2.17	0	266.942	4.848	0	1	0	Clc1cc(Cl)c2c(Cl)cc(Cl)nc2c1
282120645	ZINC000533444895	ref	4.15	-53.76	-1	286.339	1.103	1	4	4	Cc1cnn(CCNC(=O)N=c2ccc(C3CC3)n[n-]2)c1
365624303	ZINC000336544071	ref	6.48	-9.95	0	287.359	2.346	0	3	3	COc1cccc(C2=CCN(C(=O)[C@H]3CO[C@H](C)C3)C2)c1
342083879	ZINC000625341178	ref	3.83	-34.71	1	271.401	1.665	2	3	6	C[C@@H]1CC[C@@](CO)([N@H+](C)CCOC2CCOCC2)C1
342083880	ZINC000625341178	mid	4.31	-34.44	1	271.401	1.665	2	3	6	C[C@@H]1CC[C@@](CO)([N@@H+](C)CCOC2CCOCC2)C1
365624316	ZINC000336543907	ref	0.54	-18.64	0	264.31	2.169	2	5	3	NC(=O)c1c[nH]c(-c2noc([C@@H]3CCSC3)n2)c1
342083881	ZINC000608891384	ref	3.36	-22.46	0	277.349	1.335	2	4	5	Cn1ccc2c(NC(=O)CSCC(N)=O)cccc21
349533312	ZINC000618810460	ref	7.21	-19.35	0	272.352	1.715	0	4	5	Cc1ccccc1CCC(=O)N(C)Cc1cn(C)nn1
342083882	ZINC000608892392	ref	4.23	-45.61	1	289.445	1.149	3	3	8	COCCC[NH+]1CCC(NC(=O)NCCSC)CC1
365624325	ZINC000336544320	ref	4.74	-22.18	0	293.342	2.184	2	2	3	CN1CCc2ccc(NC(=O)NC(C)(C)CF)cc2C1=O
178294067	ZINC000062191485	ref	6.19	-9.07	0	242.322	2.893	2	1	3	Cc1cc2cc(CNC(=O)C3CCC3)ccc2[nH]1
365624270	ZINC000576552723	ref	5.52	-9.35	0	237.303	2.176	1	3	4	C[C@@H](C1CC1)N(C)C(=O)N[C@H](C)c1ccon1
365624276	ZINC000576561120	ref	3.95	-8.93	0	243.347	1.592	1	3	9	COC[C@@H](C)CC(=O)NCCOCC1CCC1
365624284	ZINC000576583684	ref	0.16	-56.86	1	249.305	0.475	3	2	5	C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCNCC1(F)F
365624295	ZINC000576583684	mid	1.52	-115.24	2	249.305	0.475	3	1	5	C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CC[NH2+]CC1(F)F
365624301	ZINC000576562923	ref	7.32	-35.27	1	203.301	2.235	1	1	7	CC(C)OCCC[N@H+](C)CC1(F)CC1
365624309	ZINC000576562923	mid	7.33	-35.58	1	203.301	2.235	1	1	7	CC(C)OCCC[N@@H+](C)CC1(F)CC1
365624312	ZINC000576562923	high	5.16	-4.49	0	203.301	2.235	0	2	7	CC(C)OCCCN(C)CC1(F)CC1
365624322	ZINC000576581639	ref	-1.01	-15.23	0	241.335	0.097	2	3	5	CC[C@@H](C)NC(=O)[C@@H](C)N1CC(C)(C(N)=O)C1
365624326	ZINC000576581639	mid	2.09	-39.9	1	241.335	0.097	3	2	5	CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CC(C)(C(N)=O)C1
398246877	ZINC000191980238	ref	3.57	-40.0	1	234.303	0.981	1	2	1	Cc1c[nH+]ccc1N1CCCN(C(N)=O)CC1
365624339	ZINC000343767625	ref	4.44	-34.55	1	213.277	0.561	2	3	6	C=CC[N@@H+](C[C@](C)(O)C(=O)OC)C1CC1
282120637	ZINC000151586227	mid	6.83	-18.85	0	313.336	2.283	2	4	5	Cc1cc(CC(=O)Nc2ccnn2Cc2ccc(F)cc2)n[nH]1
282120643	ZINC000151604109	ref	7.68	-16.61	0	300.402	2.39	1	2	4	CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C(N)=O)cc1
342599073	ZINC000616991159	ref	6.77	-48.26	1	291.395	1.085	2	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2ccccc2=O)C1
398246890	ZINC000336778978	ref	5.19	-35.95	1	231.336	1.734	1	3	9	CCOCC[NH2+]C(CC)(CC)CC(=O)OC
282120654	ZINC000151600671	ref	3.63	-12.06	0	320.418	2.309	1	6	6	COC[C@@H](NC(=O)c1sc(-c2ncccn2)nc1C)C(C)C
282120662	ZINC000151598229	ref	6.67	-16.28	0	324.465	2.492	1	3	7	COCCC1(C(=O)NCCC(=O)N2CCCCCC2)CCCC1
187169762	ZINC000125099435	ref	4.11	-7.44	0	264.354	2.295	1	6	6	CCOc1cc(NCCc2ncc(C)s2)ncn1
343994518	ZINC000599272748	ref	2.26	-9.78	0	253.327	1.82	1	5	5	COc1cc(C(=O)N[C@H](C#N)CC(C)C)sn1
365624354	ZINC000343767625	mid	4.88	-32.42	1	213.277	0.561	2	3	6	C=CC[N@H+](C[C@](C)(O)C(=O)OC)C1CC1
365624360	ZINC000343767625	high	3.38	-4.27	0	213.277	0.561	1	4	6	C=CCN(C[C@](C)(O)C(=O)OC)C1CC1
365624369	ZINC000576559572	ref	5.5	-36.7	-1	239.323	0.641	0	5	4	COCC1(CN=c2nn[n-]n2C)CCCCC1
398246896	ZINC000285167308	ref	6.24	-5.52	0	234.324	3.231	0	4	5	C=C(C)CCc1noc(Cc2cccs2)n1
398246878	ZINC000649444397	ref	3.36	-7.17	0	214.211	2.813	1	2	4	C=C(C)c1ccc(OC(F)F)cc1CO
342599074	ZINC000616991159	mid	6.74	-47.32	1	291.395	1.085	2	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2ccccc2=O)C1
398246883	ZINC000381279863	ref	3.22	-38.16	1	217.353	1.796	2	2	7	CC[C@H](C)[C@@H](C[NH2+][C@@H](C)C(C)(C)O)OC
214177546	ZINC000278474683	ref	0.78	-11.18	0	315.288	1.895	2	3	6	O=S(=O)(NCCCCO)c1ccc(F)c(C(F)(F)F)c1
214177550	ZINC000278474293	ref	7.24	-23.38	0	314.389	2.065	0	4	5	CCN(Cc1cnn(C)c1)C(=O)c1ccc(N(C)C(C)=O)cc1
214177554	ZINC000278475334	ref	6.27	-15.91	0	317.389	3.281	2	4	5	COc1cc(C)c(NC(=O)NCCc2c(C)noc2C)cc1C
214177559	ZINC000278474947	ref	8.89	-39.22	1	303.381	3.42	1	3	5	CC(C)[C@H]1CCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1
214177564	ZINC000278474947	mid	8.25	-38.87	1	303.381	3.42	1	3	5	CC(C)[C@H]1CCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1
214177565	ZINC000278474947	mid	6.41	-5.7	0	303.381	3.42	0	4	5	CC(C)[C@H]1CCCN1Cc1nc(Cc2cccc(F)c2)no1
214177568	ZINC000278475802	ref	10.44	-39.82	1	311.389	1.892	2	4	5	O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CCC[N@@H+]1C1CC1
342599075	ZINC000590838394	ref	3.67	-17.1	0	281.356	1.126	1	4	3	CCO[C@@H]1COC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1
214177573	ZINC000278475802	mid	10.02	-48.19	1	311.389	1.892	2	4	5	O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CCC[N@H+]1C1CC1
342600636	ZINC000616999496	ref	3.33	-38.49	1	254.374	1.138	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2(O)CCC2)C1
214177574	ZINC000278475802	mid	8.32	-14.21	0	311.389	1.892	1	5	5	O=C(Nc1cccc(Cn2cncn2)c1)[C@H]1CCCN1C1CC1
214177578	ZINC000278475662	ref	5.2	-16.34	0	312.307	1.179	0	9	7	COC[C@H](OC(=O)Cn1cc([N+](=O)[O-])cn1)c1nccs1
214177584	ZINC000278474420	ref	-1.87	-52.38	-1	323.33	1.519	0	7	4	O=S(=O)([N-]c1nnc(C2CC2)o1)c1ccc2c(c1)OCCO2
214177588	ZINC000278474420	low	-0.95	-12.91	0	323.33	1.519	1	7	4	O=S(=O)(Nc1nnc(C2CC2)o1)c1ccc2c(c1)OCCO2
214177592	ZINC000278475543	ref	4.07	-14.3	0	321.385	1.272	3	8	5	Cn1ncc2c(N)nc(NCCCNC(=O)OC(C)(C)C)nc21
214177594	ZINC000278475543	low	4.45	-39.65	1	321.385	1.272	3	7	5	Cn1ncc2c(N)[nH+]c(NCCCNC(=O)OC(C)(C)C)nc21
342600637	ZINC000616999496	mid	3.38	-38.72	1	254.374	1.138	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2(O)CCC2)C1
349533315	ZINC000594966327	ref	7.25	-57.73	1	257.362	2.656	1	3	5	Cc1ccncc1CC[NH2+]Cc1cc(C#N)cs1
197598449	ZINC000290108164	ref	4.66	-5.42	0	266.366	3.188	0	5	6	CC[C@@](C)(OC)c1noc(CCc2cccs2)n1
197598451	ZINC000290108105	ref	-0.49	-9.24	0	268.317	-0.031	1	6	6	CC[C@@H]1C(=O)NCCN1Cc1noc(CCOC)n1
222609209	ZINC000222502812	ref	5.45	-17.98	0	396.896	3.065	1	4	7	CCOc1cccc(CNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)c1
342599076	ZINC000616992661	ref	4.49	-43.63	1	264.373	1.568	3	2	3	Cc1n[nH]cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365624271	ZINC000623054653	ref	3.78	-48.41	1	324.356	1.965	2	4	3	O=C(NC1CC[NH2+]CC1)c1nnc(-c2c(F)cccc2F)s1
282120647	ZINC000423032150	ref	5.76	-104.77	2	307.438	2.479	2	3	8	CCC(CC)(C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)C(=O)OC
282120659	ZINC000423032150	high	5.36	-46.91	1	307.438	2.479	2	4	8	CCC(CC)(C[NH2+][C@@H](C)c1ccc(CN)nc1C)C(=O)OC
282120665	ZINC000263087303	ref	6.37	-45.3	0	294.395	2.502	1	4	9	CCC(CC)(C[NH2+][C@@H](C)Cc1cccc(OC)n1)C(=O)[O-]
282120677	ZINC000286363374	ref	4.83	-49.08	1	269.414	2.342	2	3	7	CCC(CC)(C[NH2+][C@@H](C)c1ccc(=O)[nH]n1)SC
342599077	ZINC000616992661	mid	4.49	-44.3	1	264.373	1.568	3	2	3	Cc1n[nH]cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
398246879	ZINC000650866466	ref	0.58	-13.35	0	296.396	1.33	3	4	5	CCc1nc([C@@H](C)NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)cs1
342599078	ZINC000616992197	ref	5.32	-10.3	0	269.301	1.478	1	5	7	CC(C)OCCCNC(=O)c1cc([N+](=O)[O-])cn1C
398246884	ZINC000650867138	ref	3.53	-11.64	0	291.351	1.594	1	4	4	Cc1cnc(OC(C)C)c(NC(=O)[C@H]2CCN(C)C2=O)c1
342599079	ZINC000616992334	ref	5.25	-40.78	1	278.4	1.822	3	2	4	CCc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)[nH]n1
398246889	ZINC000650867139	ref	3.41	-10.82	0	291.351	1.594	1	4	4	Cc1cnc(OC(C)C)c(NC(=O)[C@@H]2CCN(C)C2=O)c1
342599080	ZINC000616992334	mid	5.19	-40.42	1	278.4	1.822	3	2	4	CCc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)[nH]n1
197598458	ZINC000290110103	ref	8.26	-14.68	0	299.378	2.448	1	5	3	Cn1cnc(C(=O)Nc2cccc(N3CCCCCC3)c2)n1
398246895	ZINC000650867110	ref	2.95	-14.96	0	287.363	1.483	3	2	3	C[C@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1C[C@H](C(N)=O)C1
342599081	ZINC000616992565	ref	5.69	-39.3	1	278.4	1.579	2	3	3	Cc1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cnn1C
398246899	ZINC000650866467	ref	0.58	-13.38	0	296.396	1.33	3	4	5	CCc1nc([C@H](C)NC(=O)N[C@@H]2C[C@H](C(N)=O)C2)cs1
212171839	ZINC000335493519	ref	7.1	-9.34	0	290.26	3.025	0	2	2	O=C(c1ccc(F)cn1)N1CCC[C@@H](CC(F)(F)F)C1
212171842	ZINC000335494847	ref	5.35	-9.58	0	267.332	2.131	1	3	3	Cc1ccc(CNC(=O)[C@@H]2CCc3cccnc32)nc1
398246880	ZINC000097159513	ref	5.01	-48.42	1	245.326	2.154	2	2	6	COCc1ccc(C[NH2+]Cc2c[nH]nc2C)cc1
178294074	ZINC000175104695	ref	7.93	-7.73	0	245.322	3.53	0	2	2	Cc1cc2cc(C(=O)N(C)C(C)C)oc2cc1C
398246885	ZINC000097159513	mid	3.64	-8.0	0	245.326	2.154	2	3	6	COCc1ccc(CNCc2c[nH]nc2C)cc1
398246888	ZINC000097159513	low	5.05	-47.39	1	245.326	2.154	2	2	6	COCc1ccc(C[NH2+]Cc2cn[nH]c2C)cc1
178294076	ZINC000001569291	ref	7.77	-43.77	1	229.323	3.517	1	1	1	Cc1cc2cc(C3CC[NH2+]CC3)oc2cc1C
398246893	ZINC000335865218	ref	4.19	-14.32	0	246.314	1.181	2	3	3	CC(C)(C#N)CNC(=O)[C@@H]1CCc2c[nH]nc2C1
178294079	ZINC000053294407	ref	9.28	-10.7	0	244.677	3.908	0	2	0	Cc1cc2cc(Cl)c(=O)oc2c2ccccc12
365624281	ZINC000623054235	ref	1.92	-40.54	1	316.361	1.304	3	3	2	C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
178294083	ZINC000259087764	ref	6.41	-37.0	1	202.301	2.974	2	0	3	Cc1cc2cc(C[NH2+]C(C)C)ccc2[nH]1
365624285	ZINC000623054235	high	0.1	-61.59	0	316.361	1.304	2	3	2	C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
398246901	ZINC000285166063	ref	4.62	-11.9	0	237.263	-0.309	1	7	6	CC[C@H](NCCn1cnc(C#N)n1)C(=O)OC
214177576	ZINC000293482483	ref	0.45	-11.1	0	354.476	0.944	3	5	6	CNC(=O)[C@H](C)NC(=O)NC[C@@H](c1cccs1)N1CCO[C@H](C)C1
398246908	ZINC000285166063	low	5.52	-53.88	1	237.263	-0.309	1	6	6	CC[C@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC
178294093	ZINC000293850624	ref	7.56	-8.08	0	249.285	3.091	0	2	3	Cc1cc2cc(C(=O)N(C)CCF)oc2cc1C
178294099	ZINC000013998667	ref	4.98	-48.31	1	229.327	2.531	2	2	3	Cc1cc2cc(C)c(NCC[NH3+])nc2cc1C
178294102	ZINC000285607294	ref	7.42	-45.6	1	246.379	3.071	2	1	3	Cc1cc2cc(C[NH2+][C@@H]3CCSC3)ccc2[nH]1
178294106	ZINC000113730531	ref	5.42	-58.93	0	202.213	1.824	1	3	1	Cc1cc2cc(C(=O)[O-])ccc2c(N)[nH+]1
178294110	ZINC000113730531	high	5.02	-49.68	-1	202.213	1.824	1	4	1	Cc1cc2cc(C(=O)[O-])ccc2c(N)n1
398246912	ZINC000390758547	ref	3.74	-42.95	1	225.317	1.104	1	3	2	CN(C(=O)[C@H]1[NH2+]CC1(C)C)c1nccs1
342599082	ZINC000616992565	mid	5.69	-39.84	1	278.4	1.579	2	3	3	Cc1c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cnn1C
178294117	ZINC000268896492	ref	3.35	-13.38	0	245.278	1.866	1	3	1	Cc1cc2cc(C(=O)N3CC(O)C3)oc2cc1C
349533317	ZINC000618810134	ref	4.51	-9.38	0	253.305	1.959	0	4	2	N#C[C@H]1CN(Cc2ccc3cnccc3c2)CCO1
178294121	ZINC000000482557	ref	4.17	-5.84	0	234.295	2.488	1	3	0	Cc1cc2c3c(c1)OC(C)(C)C[C@H]3O[C@H](O)C2
398246881	ZINC000387482796	ref	5.49	-35.77	1	226.364	1.927	2	1	6	C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC1CC1
398249344	ZINC000651463562	mid	6.76	-45.59	1	285.391	3.324	2	2	5	COc1cccc([C@@H]2C[C@@H]([NH2+][C@@H](C)c3cn[nH]c3C)C2)c1
398249345	ZINC000651463562	high	5.92	-7.57	0	285.391	3.324	2	3	5	COc1cccc([C@@H]2C[C@@H](N[C@@H](C)c3c[nH]nc3C)C2)c1
398249346	ZINC000651463832	ref	6.55	-31.91	-1	287.31	3.153	0	3	3	CCc1cccc(CN=c2nc(C(F)(F)F)[n-]s2)c1
342599083	ZINC000616992217	ref	4.47	-40.86	1	283.416	1.138	3	2	5	CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599084	ZINC000616992217	mid	4.41	-40.7	1	283.416	1.138	3	2	5	CCC(=O)N[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599085	ZINC000616992218	ref	4.49	-39.97	1	283.416	1.138	3	2	5	CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599086	ZINC000616992218	mid	4.49	-40.42	1	283.416	1.138	3	2	5	CCC(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214177580	ZINC000293482483	low	2.73	-40.04	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@@H+]1CCO[C@H](C)C1
214177582	ZINC000293482483	low	2.68	-39.64	1	354.476	0.944	4	4	6	CNC(=O)[C@H](C)NC(=O)NC[C@@H](c1cccs1)[N@H+]1CCO[C@H](C)C1
197598460	ZINC000162879001	ref	4.41	-11.9	0	301.188	2.122	2	4	2	C[C@H]1CCC[C@H](C)N1Nc1cn[nH]c(=O)c1Br
214177586	ZINC000293477533	ref	1.47	-18.97	0	360.461	0.713	1	6	3	CN(C(=O)Nc1nc2c(s1)COCC2)[C@H]1CCN(S(C)(=O)=O)C1
214177590	ZINC000293482030	ref	0.34	-28.08	0	354.432	0.0	3	4	4	C[C@H]1CCNC(=O)[C@@H]1NC(=O)N(C)Cc1ccccc1S(N)(=O)=O
214177595	ZINC000293487626	ref	3.67	-14.08	0	361.398	0.454	2	5	4	COCC(=O)N1CCc2cc(NC(=O)C(=O)N[C@@H]3CCO[C@@H]3C)ccc21
214177600	ZINC000293478473	ref	2.05	-16.05	0	365.43	0.817	3	5	9	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc(COCCOC(C)C)c1
365624283	ZINC000625040845	ref	5.79	-10.56	0	319.327	2.321	1	4	5	COCC[C@H](C)NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21
365624290	ZINC000625039018	ref	8.09	-11.54	0	311.385	2.351	0	4	2	Cc1ccccc1[C@H]1CCN(C(=O)c2cn3c(n2)COCC3)C1
342599087	ZINC000590829093	ref	4.64	-44.9	1	276.34	1.638	3	3	5	COc1cc(C#N)ccc1NC(=O)NC[C@H](C)[NH+](C)C
398249347	ZINC000651463799	ref	8.24	-9.01	0	286.4	3.202	0	3	1	CC1(C)CN(C(=O)c2ccc3ccncc3c2)CCS1
398249348	ZINC000651465305	ref	5.82	-6.82	0	291.439	3.11	2	4	7	CC(C)c1cc(NCCC2(CO)CCC2)nc(C(C)C)n1
398249349	ZINC000651465305	low	6.28	-25.86	1	291.439	3.11	2	3	7	CC(C)c1cc(NCCC2(CO)CCC2)nc(C(C)C)[nH+]1
214177583	ZINC000337605853	ref	7.37	-9.15	0	290.411	3.238	2	3	4	CC[C@H]1CCCC[C@H]1NC(=O)Nc1ccc(N(C)C)nc1
342083883	ZINC000608892392	high	1.85	-10.53	0	289.445	1.149	2	4	8	COCCCN1CCC(NC(=O)NCCSC)CC1
300270417	ZINC000271039947	low	6.14	-41.94	1	252.333	2.112	1	2	3	C[C@H]1C[N@@H+](Cc2ccc(N(C)C)c(F)c2)CCO1
342083884	ZINC000625341504	ref	2.29	-9.19	0	289.401	1.212	1	5	8	CCC[C@@H](CNS(=O)(=O)c1c(C)cnn1C)OCC
214177591	ZINC000337605038	ref	-3.43	-12.29	0	282.3	-0.266	4	5	5	NC(=O)c1cc(CNC(=O)NC[C@H]2CCC[C@@H]2O)on1
342083885	ZINC000625342150	ref	3.38	-5.72	0	263.341	1.948	0	5	4	C1CC(c2nc(CN3CCO[C@H](C4CC4)C3)no2)C1
307041564	ZINC000364128192	low	6.44	-40.2	1	312.439	1.001	0	3	2	C[C@H]1C[C@@H](C)CN(S(=O)(=O)N2CCc3c([nH+]cn3C)C2)C1
342083886	ZINC000625341199	ref	-0.35	-5.78	0	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)[C@]2(CO)CC[C@H](C)C2)n1
342083887	ZINC000625341199	mid	1.88	-37.62	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)n1
365624286	ZINC000122095892	ref	3.66	-11.34	0	261.325	2.291	1	4	5	CC[C@](C)(C#N)NC(=O)c1cccc(OC(C)C)n1
342083888	ZINC000625341199	high	-0.35	-5.78	0	265.357	1.468	1	5	5	COc1cncc(CN(C)[C@]2(CO)CC[C@H](C)C2)n1
214177602	ZINC000337604393	ref	8.02	-6.35	0	264.413	3.302	2	1	6	CC(C)C1(CNC(=O)NCC2(C3CC3)CCC2)CC1
342083889	ZINC000625340731	ref	2.25	-11.62	0	293.429	1.678	1	4	8	CCC[C@H](CNS(=O)(=O)[C@H]1COC(C)(C)C1)OCC
342083890	ZINC000625340904	ref	7.01	-53.09	1	299.378	1.992	2	4	4	CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3ccncc3C)C2)n1
342083891	ZINC000625340904	mid	5.03	-12.61	0	299.378	1.992	2	4	4	CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3ccncc3C)C2)n1
178294091	ZINC000082789002	ref	5.5	-6.04	0	252.111	3.314	0	2	1	COc1cc(C)nc2cc(Br)ccc12
178294092	ZINC000082789002	low	5.87	-27.3	1	252.111	3.314	0	1	1	COc1cc(C)[nH+]c2cc(Br)ccc12
259308824	ZINC000306283141	ref	8.82	-37.57	1	239.309	3.602	1	0	4	FC1(F)CCCC[C@H]1C[NH2+]Cc1ccccc1
214177606	ZINC000337602043	ref	-0.43	-12.72	0	260.334	-0.826	1	5	7	CCN(CCOCCO)C(=O)[C@@H]1COCCN1C
214177609	ZINC000337602188	ref	2.15	-13.54	0	292.339	0.358	1	6	6	Cc1cc(C(=O)N(C)CCOCCO)c2cnn(C)c2n1
398246891	ZINC000651455039	ref	5.28	-10.81	0	264.398	3.08	1	5	5	CCn1ccnc1[C@@H](C)N[C@@H](C)c1cnc(C)s1
365624302	ZINC000122060465	ref	6.05	-9.63	0	254.374	2.122	2	2	2	C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@]1(C)CO
185091434	ZINC000096081739	ref	5.92	-40.77	1	287.407	1.767	1	3	4	c1cc(CN2CCO[C@H]3C[N@@H+](CC4CCC4)C[C@H]32)ccn1
365624287	ZINC000274326919	ref	-0.71	-10.5	0	254.334	1.068	4	3	6	CC[C@](C)(CCO)NC(=O)NCc1c[nH]nc1C
365624293	ZINC000274326919	mid	-0.7	-9.97	0	254.334	1.068	4	3	6	CC[C@](C)(CCO)NC(=O)NCc1cn[nH]c1C
370645372	ZINC000631720195	ref	2.63	-13.21	0	290.367	0.676	2	4	5	NC(=O)CC1(NC(=O)Cc2cnn3c2CCCC3)CCC1
342599088	ZINC000590829093	high	2.39	-8.05	0	276.34	1.638	2	4	5	COc1cc(C#N)ccc1NC(=O)NC[C@H](C)N(C)C
282120649	ZINC000533444895	low	3.52	-18.84	0	286.339	1.103	2	4	4	Cc1cnn(CCNC(=O)N=c2ccc(C3CC3)n[nH]2)c1
214177601	ZINC000278475656	ref	6.17	-44.66	1	314.71	3.303	1	2	8	C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c1ccc(Cl)cn1
342599089	ZINC000590829461	ref	8.01	-15.95	0	262.357	1.856	1	3	4	C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]1C1CC1
370645389	ZINC000631721565	ref	-0.86	-12.97	0	297.336	0.613	2	6	5	COc1ccc(O)c(S(=O)(=O)NCc2ccnn2C)c1
365624300	ZINC000274325396	ref	2.17	-10.69	0	263.265	1.222	1	3	5	CCC(=O)CNS(=O)(=O)c1ccc(F)cc1F
342599090	ZINC000590829461	low	8.53	-43.11	1	262.357	1.856	1	2	4	C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C1CC1
365624308	ZINC000274325396	high	2.08	-43.83	-1	263.265	1.222	0	3	5	CCC(=O)C[N-]S(=O)(=O)c1ccc(F)cc1F
185090468	ZINC000096080726	ref	8.14	-50.9	1	288.395	1.505	1	3	3	Cn1cc(N2C[C@@H]3C[N@H+](CC4CCCC4)C[C@@H]3C2=O)cn1
365624314	ZINC000274326039	ref	6.51	-16.31	0	290.367	1.842	1	4	3	CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)Nc1cncnc1
370645395	ZINC000631721565	mid	0.0	-39.88	-1	297.336	0.613	1	6	5	COc1ccc([O-])c(S(=O)(=O)NCc2ccnn2C)c1
365624323	ZINC000274326429	ref	3.75	-14.97	0	295.335	1.868	3	5	6	Cc1ccc(C(=O)NCCCC(=O)OC(C)C)c(O)c1O
370645402	ZINC000631720836	ref	3.33	-46.3	1	264.391	0.377	1	3	5	C[C@H]1CN(S(=O)(=O)CCC[NH+](C)C)[C@@H](C)CO1
365624332	ZINC000274326429	high	4.81	-58.47	-1	295.335	1.868	2	5	6	Cc1ccc(C(=O)NCCCC(=O)OC(C)C)c([O-])c1O
282120656	ZINC000533448260	ref	3.18	-40.31	-1	293.392	1.596	0	4	2	C[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C[C@@H]1C
282120663	ZINC000533448260	mid	3.07	-10.9	0	293.392	1.596	1	4	2	C[C@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)C[C@@H]1C
365624341	ZINC000274324553	ref	4.25	-8.91	0	275.381	1.816	0	6	3	C[C@H](c1nccs1)N1CCN(c2ncccn2)CC1
214177604	ZINC000278475656	mid	4.91	-7.22	0	314.71	3.303	1	3	8	C[C@H](NCCOCC(F)(F)C(F)F)c1ccc(Cl)cn1
342599091	ZINC000590828702	ref	4.65	-9.79	0	293.279	1.608	1	5	3	COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H]2C[C@@H]21
214177605	ZINC000293485824	ref	0.9	-10.35	0	361.398	0.648	3	5	3	C[C@H]1CCC[C@@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
398246892	ZINC000649444394	ref	3.47	-6.45	0	202.257	2.108	1	2	1	C=C(C)c1ccc2c(c1)N(C)CC(=O)N2
214177611	ZINC000293487176	ref	8.02	-25.48	0	353.423	0.8	0	7	5	CN(C(=O)COCc1nncn1C)[C@H]1CCN(C(=O)OC(C)(C)C)C1
398246898	ZINC000649444535	ref	4.59	-9.89	0	231.181	1.532	1	4	1	Cc1nnc(-c2cc(C(F)(F)F)[nH]n2)n1C
214177615	ZINC000293481493	ref	1.75	-10.37	0	358.391	0.851	2	5	4	CCS(=O)(=O)c1cc(F)ccc1NC(=O)C(=O)N[C@@H]1CCO[C@@H]1C
398246902	ZINC000649444535	mid	4.49	-11.73	0	231.181	1.532	1	4	1	Cc1nnc(-c2cc(C(F)(F)F)n[nH]2)n1C
398246906	ZINC000649444412	ref	6.71	-7.45	0	215.3	2.462	0	3	2	Cc1c(-c2ccc(N(C)C)cc2)cnn1C
214177619	ZINC000293477648	ref	1.86	-57.14	1	369.487	0.955	2	4	8	C[C@@H](CCCC[NH3+])NC(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1
398246911	ZINC000649444429	ref	7.88	-9.8	0	240.306	2.453	0	3	1	Cc1c(-c2ccc3c(c2)CCC(=O)C3)cnn1C
214177623	ZINC000293484472	ref	0.44	-49.88	1	370.475	0.561	4	4	5	Cc1ccc(NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1S(N)(=O)=O
214177626	ZINC000293484472	mid	0.67	-48.53	1	370.475	0.561	4	4	5	Cc1ccc(NC(=O)N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)cc1S(N)(=O)=O
214177629	ZINC000293484472	high	-0.85	-16.82	0	370.475	0.561	3	5	5	Cc1ccc(NC(=O)N2CC[C@@H](N(C)CCO)[C@H]2C)cc1S(N)(=O)=O
214177633	ZINC000293476706	ref	11.0	-19.33	0	360.414	0.605	0	7	8	CCOC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)CCn1ncn(C)c1=O
214177640	ZINC000293483511	ref	0.15	-14.19	0	369.443	0.891	2	6	6	CCCCOc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)cn1
214177645	ZINC000293476578	ref	3.33	-17.04	0	374.441	0.892	3	4	4	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1
214177652	ZINC000293476871	ref	1.48	-11.74	0	364.187	0.654	2	4	3	Cn1ncc(C(=O)N[C@@H](C(N)=O)C(C)(C)C)c1I
214177655	ZINC000293482031	ref	0.35	-26.6	0	354.432	0.0	3	4	4	C[C@@H]1CCNC(=O)[C@H]1NC(=O)N(C)Cc1ccccc1S(N)(=O)=O
349533318	ZINC000621481128	ref	8.26	-8.65	0	250.386	3.008	1	1	6	CCCC1(CNC(=O)N2CC(CC3CC3)C2)CC1
214177659	ZINC000293483760	ref	1.17	-29.37	0	355.398	0.758	4	4	6	NC(=O)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCc3n[nH]cc3C2)cc1
342083892	ZINC000625340904	high	5.03	-12.61	0	299.378	1.992	1	5	4	CC(=O)Nc1ccn([C@@H]2CCN(Cc3ccncc3C)C2)n1
398246916	ZINC000649444424	ref	4.0	-6.4	0	217.154	1.224	1	4	1	Cn1ncnc1-c1cc(C(F)(F)F)[nH]n1
214177607	ZINC000053336845	ref	9.86	-14.71	0	335.432	4.582	1	4	5	C[C@H](Sc1ncccn1)c1cccc(NC(=O)c2ccccc2)c1
214177610	ZINC000053353645	ref	4.12	-11.62	0	340.445	1.434	1	4	5	COc1cc(CNC(=O)[C@H]2CCCCN2S(C)(=O)=O)ccc1C
365624291	ZINC000623054460	ref	5.57	-56.67	1	312.377	1.375	3	4	3	O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N[C@@H]1CC[NH2+]C1
365624305	ZINC000623054659	ref	3.03	-56.59	1	314.389	1.705	3	3	3	[NH3+]C1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CCCCCC1
343994521	ZINC000599272485	ref	5.68	-39.72	1	255.314	1.587	2	4	7	CCOC(=O)C[C@@H](O)C[N@H+](C)[C@@H](C)c1ccco1
365624315	ZINC000623054659	mid	1.97	-71.5	0	314.389	1.705	2	3	3	[NH3+]C1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCCCCC1
214177614	ZINC000053331205	ref	2.39	-61.3	-1	338.367	2.074	1	4	4	CC(C)N(Cc1ccccc1)C(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1
197598470	ZINC000290109528	ref	9.06	-42.31	1	298.43	2.948	1	1	4	C=C[C@@H](CC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1
197598471	ZINC000290109898	ref	4.57	-10.58	0	265.346	1.209	0	8	4	Cn1ncc(CSc2nnnn2C2CCCC2)n1
342083893	ZINC000625340251	ref	8.3	-30.54	1	277.412	1.654	1	3	7	CCN(CCn1ccccc1=O)C[C@H]1CCC[N@@H+]1CC
342083894	ZINC000625340251	mid	7.1	-37.63	1	277.412	1.654	1	3	7	CCN(CCn1ccccc1=O)C[C@H]1CCC[N@H+]1CC
342083895	ZINC000625340916	ref	2.86	-11.52	0	277.415	1.599	1	4	8	CCCN(CCC)S(=O)(=O)NCc1ccns1
342083896	ZINC000625341987	ref	7.96	-96.57	2	295.471	1.656	1	3	7	CCN(CCN1C[C@@H]2CC[C@H](C1)O2)C[C@H]1CCC[N@@H+]1CC
342083897	ZINC000625341987	mid	8.31	-94.39	2	295.471	1.656	1	3	7	CCN(CCN1C[C@@H]2CC[C@H](C1)O2)C[C@H]1CCC[N@H+]1CC
342083898	ZINC000625341987	low	8.15	-93.93	2	295.471	1.656	2	2	7	CCN(CC[N@@H+]1C[C@@H]2CC[C@H](C1)O2)C[C@H]1CCC[NH+]1CC
342083899	ZINC000625341987	low	6.94	-88.64	2	295.471	1.656	2	2	7	CCN(CC[N@H+]1C[C@@H]2CC[C@H](C1)O2)C[C@H]1CCC[NH+]1CC
342083900	ZINC000625341987	low	8.15	-93.93	2	295.471	1.656	2	2	7	CCN(CC[NH+]1C[C@@H]2CC[C@H](C1)O2)C[C@H]1CCC[N@@H+]1CC
342083901	ZINC000625341987	low	6.94	-88.64	2	295.471	1.656	2	2	7	CCN(CC[NH+]1C[C@@H]2CC[C@H](C1)O2)C[C@H]1CCC[N@H+]1CC
342083902	ZINC000625340872	ref	2.51	-11.03	0	286.397	1.874	1	4	8	CCC[C@H](CNS(=O)(=O)c1ccc(C)nc1)OCC
342083903	ZINC000625340729	ref	2.33	-8.93	0	293.429	1.678	1	4	8	CCC[C@@H](CNS(=O)(=O)[C@H]1COC(C)(C)C1)OCC
342083904	ZINC000625341192	ref	-0.58	-6.0	0	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)n1
342083905	ZINC000625341192	mid	1.76	-37.68	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)[C@@]2(CO)CC[C@H](C)C2)n1
214177608	ZINC000278474045	ref	3.0	-17.74	0	321.406	1.732	2	5	7	C=CCCS(=O)(=O)N[C@@H](C)c1nc(-c2cc(C)ccn2)n[nH]1
214177612	ZINC000278475204	ref	5.82	-7.22	0	308.334	2.067	1	5	4	COc1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)cc([N+](=O)[O-])c1C
342083906	ZINC000625341192	high	-0.58	-6.0	0	265.357	1.468	1	5	5	COc1cncc(CN(C)[C@@]2(CO)CC[C@H](C)C2)n1
342083907	ZINC000625341468	ref	4.38	-11.17	0	272.389	1.87	1	3	8	CCC[C@H](CNC(=O)N1CC[C@@H](COC)C1)OCC
398246894	ZINC000651455039	low	6.31	-34.24	1	264.398	3.08	1	4	5	CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1cnc(C)s1
398246897	ZINC000651453748	ref	7.93	-9.11	0	273.38	3.117	1	2	3	C[C@@H](c1ccncc1)N(C)C(=O)NC1CC2(CCC2)C1
300270421	ZINC000192104361	ref	1.63	-12.24	0	283.393	1.045	1	4	3	C[C@H]1CN(Cc2ccc(CO)cc2)CCS(=O)(=O)C1
214177620	ZINC000278475586	ref	7.52	-42.29	1	302.462	2.771	1	2	7	Cc1ccc(CC[C@H](C)[NH2+]CC2(N3CCOCC3)CC2)cc1
342083908	ZINC000625340294	ref	7.41	-15.99	0	292.305	1.657	0	4	6	CCCN(CC(F)(F)F)C(=O)CN(C)c1ccn(C)n1
342083909	ZINC000625340919	ref	7.89	-35.74	1	250.39	1.689	1	3	7	CCN(CCn1ccnc1)C[C@@H]1CCC[N@@H+]1CC
342083910	ZINC000625340919	mid	7.97	-42.93	1	250.39	1.689	1	3	7	CCN(CCn1ccnc1)C[C@@H]1CCC[N@H+]1CC
185090470	ZINC000096080726	mid	8.08	-51.44	1	288.395	1.505	1	3	3	Cn1cc(N2C[C@@H]3C[N@@H+](CC4CCCC4)C[C@@H]3C2=O)cn1
342083911	ZINC000625340919	mid	7.94	-42.69	1	250.39	1.689	1	3	7	CCN1CCC[C@H]1C[N@H+](CC)CCn1ccnc1
342083912	ZINC000625340919	mid	8.58	-81.09	2	250.39	1.689	1	3	7	CCN1CCC[C@H]1C[N@@H+](CC)CCn1ccnc1
185090473	ZINC000096080912	ref	6.5	-45.18	1	268.401	1.459	1	2	4	COCCC(=O)N1C[C@H]2C[NH+](CC(C)(C)C)C[C@@H]2C1
214177625	ZINC000278473862	ref	4.72	-9.77	0	304.375	1.925	0	6	3	Cc1cnccc1OC1CCN(C(=O)c2csnn2)CC1
342083913	ZINC000625340919	low	8.4	-79.44	2	250.39	1.689	1	2	7	CCN(CCn1cc[nH+]c1)C[C@@H]1CCC[N@@H+]1CC
342083914	ZINC000625340919	low	8.4	-79.44	2	250.39	1.689	1	2	7	CCN(CCn1cc[nH+]c1)C[C@@H]1CCC[N@H+]1CC
178294112	ZINC000082788879	ref	4.83	-15.24	0	258.14	2.469	0	2	2	C[C@@H](C#N)[S@](=O)c1ccc(Br)cc1
259308827	ZINC000020587505	ref	6.87	-52.33	-1	233.267	2.218	1	3	4	CC(C)=CC(=O)Nc1ccc(CC(=O)[O-])cc1
342083915	ZINC000625340453	ref	3.9	-12.19	0	289.335	1.069	0	4	3	CN(C(=O)c1cncc(N2CCCC2=O)c1)[C@@H]1CCOC1
342083916	ZINC000625341471	ref	4.42	-11.3	0	272.389	1.87	1	3	8	CCC[C@@H](CNC(=O)N1CC[C@H](COC)C1)OCC
178294103	ZINC000237040796	ref	8.67	-62.98	-1	350.44	1.632	0	5	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cc2c(s1)CCC2
178294107	ZINC000237052571	ref	6.87	-62.88	1	358.435	1.623	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(F)cc2C(=O)OC)CC1
178294114	ZINC000237046792	ref	8.19	-60.52	-1	358.316	1.754	0	4	5	CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
178294120	ZINC000237045168	ref	3.89	-62.38	1	361.467	1.899	2	3	7	Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCC[NH3+])c2)cc1
178294127	ZINC000237049053	ref	3.96	-52.34	1	366.893	1.796	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1
365624292	ZINC000565271535	ref	5.29	-8.29	0	269.308	1.564	1	6	5	CC(C)Oc1cc(CNc2ncncc2C#N)ccn1
365624310	ZINC000172842734	ref	2.76	-16.51	0	252.314	1.448	2	3	7	CC(C)CC(=O)NCCC(=O)NCc1ccoc1
178294131	ZINC000237049053	high	3.66	-13.63	0	366.893	1.796	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)Nc2ccc(Cl)cc2)CC1
342599092	ZINC000616992331	ref	4.53	-40.07	1	294.399	1.547	2	4	5	Cc1noc(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1
178294135	ZINC000237051188	ref	3.86	-52.53	1	373.906	1.546	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
178294149	ZINC000237051188	high	3.56	-11.07	0	373.906	1.546	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1
178294153	ZINC000237047933	ref	8.29	-50.97	1	357.462	1.311	2	6	7	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC(C[NH2+]C)CC1
365624324	ZINC000643087731	ref	7.0	-10.72	0	294.399	1.84	0	6	5	COCc1nnc(N2CCCC[C@H]2C)n1C[C@@H]1CCOC1
365624334	ZINC000172836660	ref	7.86	-38.01	1	292.427	1.983	1	3	4	Cc1nn(C)c(C)c1C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C
365624345	ZINC000172836660	mid	8.03	-39.93	1	292.427	1.983	1	3	4	Cc1nn(C)c(C)c1C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C
178294159	ZINC000237055404	ref	3.91	-61.04	1	361.467	1.98	2	3	8	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCCC[NH3+])c1
178294164	ZINC000237049318	ref	4.13	-52.28	1	374.485	1.168	2	4	6	CCOc1ccc(NC(=O)CN2CCN(C(=O)C3CC[NH2+]CC3)CC2)cc1
178294168	ZINC000237048087	ref	4.67	-68.31	1	366.512	1.432	3	5	7	C[NH2+]CCNC(=O)CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3
178294173	ZINC000237053335	ref	6.99	-49.66	1	362.493	1.794	1	3	5	C[NH2+]CC1CCN(C(=O)[C@@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1
349533319	ZINC000594966473	ref	4.21	-4.91	0	264.369	2.818	2	3	7	CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc(C#N)o1
365624294	ZINC000617390193	ref	6.49	-13.9	0	250.302	0.456	0	5	2	Cn1cnc(C(=O)N2CCO[C@](C)(C3CC3)C2)n1
365624306	ZINC000617390190	ref	6.19	-14.23	0	250.302	0.456	0	5	2	Cn1cnc(C(=O)N2CCO[C@@](C)(C3CC3)C2)n1
168365345	ZINC000036952290	ref	8.17	-6.2	0	249.354	3.63	1	3	6	CCC(CC)CNc1cc(C(=O)OC)ccc1C
342083917	ZINC000625341215	ref	8.97	-40.53	1	294.399	1.186	1	5	6	c1ncn(CC2CC[NH+](CCOC3CCOCC3)CC2)n1
214177613	ZINC000337603668	ref	5.82	-17.44	0	275.352	2.302	1	3	5	CCCC1(C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC1
282120653	ZINC000335977564	ref	9.48	-42.92	1	264.413	2.367	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC23CCCCC3)C1
365624311	ZINC000617390494	ref	6.88	-7.54	0	290.367	0.89	1	5	3	CNc1nc(C)cc(C(=O)N2CCO[C@@](C)(C3CC3)C2)n1
214177617	ZINC000337604897	ref	3.67	-11.61	0	294.317	2.443	2	2	3	O=C(NCC1CCC(C(F)(F)F)CC1)N[C@H]1CCOC1
214177621	ZINC000337604184	ref	8.17	-7.21	0	276.424	3.445	2	1	4	O=C(NCC1(C2CC2)CC1)N[C@@H]1CC[C@H]2CCC[C@@H]2C1
365624318	ZINC000617389008	ref	3.77	-7.27	0	276.34	0.839	1	5	2	Cc1ncc(C(=O)N2CCO[C@@](C)(C3CC3)C2)c(N)n1
365624328	ZINC000617390030	ref	3.22	-10.54	0	280.368	0.93	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@]2(C)CCC(=O)NC2)CCO1
306234529	ZINC000557848558	ref	6.0	-17.54	0	325.376	1.432	2	6	4	C[C@H](NC(=O)NCc1cnn2ccccc12)c1nnc2n1CCC2
365624336	ZINC000617389007	ref	4.08	-6.98	0	276.34	0.839	1	5	2	Cc1ncc(C(=O)N2CCO[C@](C)(C3CC3)C2)c(N)n1
365624342	ZINC000617388215	ref	4.03	-21.45	0	287.381	0.591	0	4	4	C[C@@]1(C2CC2)CN(C(=O)CS(=O)(=O)C2CC2)CCO1
214177628	ZINC000337603507	ref	7.71	-8.97	0	299.365	3.422	0	3	4	CC[C@H](C)n1ncc(C(=O)N2CCCC[C@@H]2C(F)F)c1C
187169763	ZINC000125091387	ref	4.12	-17.43	0	286.253	1.502	2	2	2	O=C(N[C@@H]1CCCCNC1=O)c1cc(F)c(F)cc1F
214177632	ZINC000337604670	ref	3.23	-15.61	0	287.344	2.303	3	3	4	O=C(NCCc1cccc2[nH]ccc12)c1csc(=O)[nH]1
214177635	ZINC000337604670	high	2.24	-37.42	-1	287.344	2.303	2	3	4	O=C(NCCc1cccc2[nH]ccc12)c1csc(=O)[n-]1
342083918	ZINC000625341215	high	6.66	-10.03	0	294.399	1.186	0	6	6	c1ncn(CC2CCN(CCOC3CCOCC3)CC2)n1
214177637	ZINC000337604128	ref	4.72	-9.69	0	277.32	2.464	1	4	5	CO[C@H]1CCOc2c(NC(=O)CCC(C)=O)cccc21
342083919	ZINC000625340998	ref	3.5	-6.14	0	296.333	1.49	2	2	4	C[C@@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(F)(F)F
342083920	ZINC000625340998	mid	3.5	-6.14	0	296.333	1.49	1	3	4	C[C@@H](CC(=O)N1CCN(CC(C)(C)O)CC1)C(F)(F)F
214177618	ZINC000053331205	low	4.21	-18.2	0	338.367	2.074	2	4	4	CC(C)N(Cc1ccccc1)C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1
342599093	ZINC000616992331	mid	4.53	-40.5	1	294.399	1.547	2	4	5	Cc1noc(CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1
342599094	ZINC000590829288	ref	6.97	-46.82	1	299.378	1.26	1	4	2	Cn1cc(C(=O)N2CCC[N@H+](C)CC2)c(-c2cccnc2)n1
342599095	ZINC000590829288	mid	7.01	-50.17	1	299.378	1.26	1	4	2	Cn1cc(C(=O)N2CCC[N@@H+](C)CC2)c(-c2cccnc2)n1
214177622	ZINC000053346678	ref	7.06	-13.42	0	344.842	3.142	1	3	5	O=C(NCCc1cccnc1)C1(c2cccc(Cl)c2)CCOCC1
214177627	ZINC000053329111	ref	5.75	-11.62	0	343.196	2.073	1	2	4	CCN1C[C@@H](C(=O)NCc2ccc(F)cc2Br)CC1=O
365624297	ZINC000625041455	ref	5.05	-10.54	0	320.437	2.418	0	5	4	CC(C)(C)CC(=O)N1CCN(Cc2noc(C3CCC3)n2)CC1
342599096	ZINC000590829288	mid	4.93	-15.92	0	299.378	1.26	0	5	2	CN1CCCN(C(=O)c2cn(C)nc2-c2cccnc2)CC1
214177631	ZINC000053349440	ref	9.52	-51.57	1	336.357	3.567	2	1	6	C[N@H+](CCNC(=O)c1ccccc1C(F)(F)F)Cc1ccccc1
214177636	ZINC000053349440	mid	9.51	-51.52	1	336.357	3.567	2	1	6	C[N@@H+](CCNC(=O)c1ccccc1C(F)(F)F)Cc1ccccc1
342599097	ZINC000590839802	ref	4.97	-13.38	0	269.32	1.591	1	3	3	CCO[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1
342599098	ZINC000616992870	ref	6.05	-40.19	1	268.401	1.792	2	2	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CCCO2)C1
365624304	ZINC000625040138	ref	7.32	-17.98	0	321.446	2.351	1	3	4	Cc1ccc(CN(C)C(=O)N[C@H]2CCN(C3CCC3)C2=O)s1
342599099	ZINC000616992870	mid	6.01	-39.59	1	268.401	1.792	2	2	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@H]2CCCO2)C1
342599100	ZINC000590828857	ref	4.07	-11.37	0	257.309	1.449	1	3	5	CCC[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)OC
342599101	ZINC000590829005	ref	2.76	-11.54	0	275.308	1.554	2	4	2	COc1cc(C#N)ccc1NC(=O)N1CC[C@@H](O)[C@H]1C
342599102	ZINC000590829462	ref	8.08	-16.67	0	262.357	1.856	1	3	4	C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@@H]1C1CC1
214177639	ZINC000053349440	high	7.19	-13.95	0	336.357	3.567	1	2	6	CN(CCNC(=O)c1ccccc1C(F)(F)F)Cc1ccccc1
214177646	ZINC000053342583	ref	7.8	-39.68	1	325.294	3.803	1	1	6	CN(CC[NH2+]C1CCCCC1)Cc1cccc(Br)c1
342599103	ZINC000590829462	low	8.59	-40.92	1	262.357	1.856	1	2	4	C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@@H]1C1CC1
342599104	ZINC000590828856	ref	4.32	-12.12	0	257.309	1.449	1	3	5	CCC[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)OC
342083921	ZINC000625341502	ref	1.99	-10.7	0	281.418	1.536	1	4	10	CCC[C@@H](CNS(=O)(=O)CC(C)(C)OC)OCC
342083922	ZINC000625341550	ref	0.69	-10.15	0	252.38	1.026	2	3	10	CCCNS(=O)(=O)NC[C@@H](CCC)OCC
178294119	ZINC000082788866	ref	6.33	-2.7	0	276.948	4.304	0	1	0	Clc1cc(Cl)c2cc(Br)ccc2n1
342083923	ZINC000625340067	ref	5.01	-7.66	0	274.43	1.989	1	2	7	CCN(C)S(=O)(=O)NCC(C1CCC1)C1CCC1
342083924	ZINC000625341267	ref	2.06	-12.03	0	298.389	1.768	1	5	6	COCc1ccc(S(=O)(=O)NCc2ccns2)cc1
342083925	ZINC000625341542	ref	2.18	-12.86	0	296.373	1.557	1	5	4	O=S(=O)(NCc1ccns1)c1ccc2c(c1)CCO2
342083926	ZINC000625341469	ref	4.42	-11.48	0	272.389	1.87	1	3	8	CCC[C@@H](CNC(=O)N1CC[C@@H](COC)C1)OCC
349533321	ZINC000621483849	ref	10.31	-10.57	0	298.43	3.451	1	1	6	O=C(NCC1(Cc2ccccc2)CC1)N1CC(CC2CC2)C1
349533326	ZINC000621480411	ref	8.7	-9.16	0	289.423	3.26	0	3	2	C[C@@H]1CCCC[C@@H]1N(C)C(=O)c1cnc2n1CCCCC2
349533330	ZINC000621482554	ref	4.17	-14.96	0	298.346	3.046	2	4	5	C[C@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2cccnn2)cc1
349533335	ZINC000621480268	ref	8.15	-8.03	0	283.803	3.207	0	3	3	CCn1ncc(Cl)c1C(=O)N(C)[C@H]1CCCC[C@@H]1C
342083927	ZINC000625341171	ref	4.3	-34.41	1	271.401	1.665	2	3	6	C[C@H]1CC[C@@](CO)([N@H+](C)CCOC2CCOCC2)C1
342083928	ZINC000625341171	mid	4.3	-34.41	1	271.401	1.665	2	3	6	C[C@H]1CC[C@@](CO)([N@@H+](C)CCOC2CCOCC2)C1
214177630	ZINC000278473862	mid	5.18	-39.65	1	304.375	1.925	0	5	3	Cc1c[nH+]ccc1OC1CCN(C(=O)c2csnn2)CC1
214177634	ZINC000278475826	ref	4.73	-17.66	0	302.348	1.146	0	6	7	COC(=O)Cc1ccc(OS(=O)(=O)C[C@@H](C)OC)cc1
342083929	ZINC000625341008	ref	0.6	-6.57	0	287.363	1.739	2	4	7	COc1cncc(C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)n1
342083930	ZINC000625341008	high	0.6	-6.57	0	287.363	1.739	2	5	7	COc1cncc(CN[C@@H](CO)[C@@H](C)c2ccccc2)n1
349533337	ZINC000621479680	ref	8.0	-14.82	0	297.354	3.085	1	3	5	Cc1ccc(COCC(=O)Nc2ccc3c(c2)CCO3)cc1
259308829	ZINC000322992806	ref	4.37	-27.87	1	208.305	2.617	1	2	5	CC[C@@](C)(CNc1cc[nH+]c(C)c1)OC
168365675	ZINC000061819473	low	4.82	-108.71	2	184.327	1.844	2	0	2	C[C@@H]([NH3+])[C@@H](C)[NH+]1CCC(C)(C)CC1
342083931	ZINC000625340874	ref	2.6	-9.99	0	286.397	1.874	1	4	8	CCC[C@@H](CNS(=O)(=O)c1ccc(C)nc1)OCC
342083932	ZINC000625341503	ref	2.2	-10.01	0	289.401	1.212	1	5	8	CCC[C@H](CNS(=O)(=O)c1c(C)cnn1C)OCC
342083933	ZINC000625340681	ref	4.67	-9.7	0	290.289	1.99	1	3	2	C[C@H]1CCN(C(=O)NCc2c(C(F)(F)F)cnn2C)C1
214177638	ZINC000278473892	ref	2.12	-11.68	0	306.288	1.5	2	4	3	C[C@@H]1OCC[C@H]1NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F
197598483	ZINC000162880398	ref	6.1	-11.21	0	322.434	4.153	2	5	5	CCc1onc(C)c1NC(=O)Nc1sc(C)nc1CC(C)C
365624307	ZINC000625040763	ref	6.37	-18.4	0	307.419	2.043	1	3	4	CN(Cc1ccsc1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365624313	ZINC000625040405	ref	5.6	-18.97	0	307.438	2.264	2	2	3	C[C@H]1C[C@@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC[C@H]1C
365624320	ZINC000625041492	ref	6.25	-13.09	0	312.454	2.394	2	3	10	CCC[C@H](OCC)C(=O)NCCNC(=O)CC1CCCCC1
197598492	ZINC000162895646	ref	5.13	-39.53	1	316.405	2.128	2	4	8	CCCC[C@@H](C[NH3+])NC(=O)c1ccn(-c2ccc(OC)cc2)n1
365624327	ZINC000625041585	ref	6.93	-19.76	0	317.364	2.044	1	3	3	CC(=O)N1CCCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1
365639405	ZINC000336555889	ref	5.58	-37.85	1	265.426	2.369	1	3	2	Cc1ncc(CN2CC[C@@]3(CCC[N@@H+](C)C3)C2)s1
398246900	ZINC000651453981	ref	8.24	-9.23	0	282.428	3.166	1	2	7	CCC(CC)N(CCOC)C(=O)NC1CC2(CCC2)C1
214177642	ZINC000278474880	ref	6.75	-12.62	0	317.364	3.339	1	4	5	COC(=O)N(C)Cc1ccc(NCc2ccc(F)nc2C)cc1
342083934	ZINC000625341344	ref	1.17	-7.0	0	287.31	1.929	1	5	4	OC1(C(F)F)CCN(Cc2noc(C3CCC3)n2)CC1
342083935	ZINC000625341983	ref	6.99	-93.98	2	295.471	1.656	1	3	7	CCN(CCN1C[C@@H]2CC[C@H](C1)O2)C[C@@H]1CCC[N@@H+]1CC
214177654	ZINC000278474686	ref	0.55	-10.52	0	306.284	1.32	3	4	7	COc1cc(CCO)ccc1NCC(=O)NCC(F)(F)F
178294122	ZINC000000429813	ref	6.28	-8.62	0	244.338	3.139	2	1	4	Cc1cc2cc(CNC(=O)CC(C)C)ccc2[nH]1
282120661	ZINC000248955531	mid	1.57	-40.42	1	300.786	1.342	4	3	7	C[C@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CO
178294133	ZINC000358434565	ref	3.28	-23.81	0	242.242	1.242	3	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1nc[nH]n1
342083936	ZINC000625341983	mid	7.4	-91.63	2	295.471	1.656	1	3	7	CCN(CCN1C[C@@H]2CC[C@H](C1)O2)C[C@@H]1CCC[N@H+]1CC
342083937	ZINC000625341983	low	7.41	-91.24	2	295.471	1.656	2	2	7	CCN(CC[N@@H+]1C[C@@H]2CC[C@H](C1)O2)C[C@@H]1CCC[NH+]1CC
342083938	ZINC000625341983	low	7.22	-93.54	2	295.471	1.656	2	2	7	CCN(CC[N@H+]1C[C@@H]2CC[C@H](C1)O2)C[C@@H]1CCC[NH+]1CC
342083939	ZINC000625341983	low	7.41	-91.24	2	295.471	1.656	2	2	7	CCN(CC[NH+]1C[C@@H]2CC[C@H](C1)O2)C[C@@H]1CCC[N@@H+]1CC
342083940	ZINC000625341983	low	7.22	-93.54	2	295.471	1.656	2	2	7	CCN(CC[NH+]1C[C@@H]2CC[C@H](C1)O2)C[C@@H]1CCC[N@H+]1CC
342083941	ZINC000625340490	ref	3.83	-12.6	0	289.335	1.069	0	4	3	CN(C(=O)c1cncc(N2CCCC2=O)c1)[C@H]1CCOC1
222609222	ZINC000283761337	ref	6.32	-41.31	1	311.451	1.348	3	2	9	CCCCNC(=[NH2+])NCCS(=O)(=O)CCc1ccccc1
342083942	ZINC000625341190	ref	-0.33	-5.8	0	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)[C@]2(CO)CC[C@@H](C)C2)n1
306234530	ZINC000557850957	ref	7.74	-10.05	0	334.42	1.904	2	5	7	CCOC(=O)C1(CNC(=O)N[C@@H](c2nccn2C)C2CC2)CCC1
306234531	ZINC000557850957	low	8.87	-37.6	1	334.42	1.904	2	4	7	CCOC(=O)C1(CNC(=O)N[C@@H](c2[nH+]ccn2C)C2CC2)CCC1
365624317	ZINC000122110245	ref	6.47	-49.48	-1	293.33	2.349	1	5	3	CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)n[nH]1
365624330	ZINC000122110245	mid	7.16	-17.78	0	293.33	2.349	1	5	4	CCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n[nH]1
365624338	ZINC000122110245	low	7.16	-17.78	0	293.33	2.349	1	5	4	CCc1cc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)n[nH]1
365624346	ZINC000121998608	ref	4.13	-7.0	0	256.353	2.04	1	3	3	Cc1cccc(N2CCN(Cc3cc[nH]n3)CC2)c1
185090474	ZINC000096081278	ref	0.01	-11.82	0	282.325	-0.654	1	6	3	O=C(c1csnn1)N1CC[C@@H]2[C@@H]1CC(=O)N2CCO
342083943	ZINC000625341190	mid	1.89	-37.79	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)[C@]2(CO)CC[C@@H](C)C2)n1
365624359	ZINC000121998608	low	6.41	-37.0	1	256.353	2.04	2	2	3	Cc1cccc(N2CC[NH+](Cc3cc[nH]n3)CC2)c1
365624370	ZINC000122125875	ref	5.73	-39.46	1	251.292	2.422	2	1	2	C[C@@H]1CC[C@]2(CC[N@H+](C[C@H](O)C(F)(F)F)C2)C1
365624388	ZINC000122125875	mid	5.46	-39.21	1	251.292	2.422	2	1	2	C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1
365624396	ZINC000122125875	high	2.95	-2.45	0	251.292	2.422	1	2	2	C[C@@H]1CC[C@]2(CCN(C[C@H](O)C(F)(F)F)C2)C1
365624404	ZINC000122112646	ref	5.76	-13.1	0	283.397	2.167	1	3	6	C=CCN(CC1CCCCC1)S(=O)(=O)c1c[nH]cn1
365624424	ZINC000122095640	ref	3.66	-11.3	0	261.325	2.291	1	4	5	CC[C@@](C)(C#N)NC(=O)c1cccc(OC(C)C)n1
365624446	ZINC000122128623	ref	6.81	-11.37	0	285.347	2.196	1	4	2	C[C@H]1OCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2
342083944	ZINC000625341190	high	-0.33	-5.8	0	265.357	1.468	1	5	5	COc1cncc(CN(C)[C@]2(CO)CC[C@@H](C)C2)n1
342083945	ZINC000625341671	ref	5.66	-14.47	0	296.411	1.709	1	3	6	CCCN(C[C@@H]1CCCCO1)C(=O)[C@@H](C)[C@@H]1CCC(=O)N1
342083946	ZINC000625341334	ref	5.19	-38.66	1	296.333	1.634	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@](O)(CC)C1
365624461	ZINC000122072719	ref	4.16	-8.45	0	273.254	2.091	1	2	1	CC1(O)CCN(C(=O)c2c(F)cc(F)cc2F)CC1
342083947	ZINC000625341334	mid	5.14	-37.23	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@](O)(CC)C1
306234532	ZINC000557841550	ref	2.85	-16.34	0	337.401	1.237	1	6	5	Cc1nn(C)cc1S(=O)(=O)NCC[C@@H]1COc2ccccc2O1
307041565	ZINC000364126030	ref	5.61	-15.34	0	313.394	1.107	1	5	4	COC(=O)[C@@H]1C[C@H](OC)CCN1C(=O)[C@H](O)C1CCCCC1
214177649	ZINC000337602465	ref	7.04	-10.95	0	292.379	3.193	2	3	6	COC(=O)CCCNC(=O)Nc1c(C)cccc1C(C)C
365624321	ZINC000623054234	ref	1.64	-43.61	1	316.361	1.304	3	3	2	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
214177653	ZINC000337603896	ref	3.37	-9.21	0	285.29	2.211	2	3	5	O=C(Cc1ccccc1O)N[C@H]1CCC[C@H]1OC(F)F
342083948	ZINC000625341334	mid	5.19	-38.66	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@](O)(CC)C1
342083949	ZINC000625341370	ref	2.57	-8.49	0	270.345	1.454	1	2	4	CCCNS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
178294152	ZINC000082788896	ref	6.53	-2.85	0	294.938	4.443	0	1	0	Fc1cc(Br)c2nc(Cl)cc(Cl)c2c1
342083950	ZINC000625340957	ref	2.42	-10.66	0	275.399	1.352	1	4	4	C[C@@H]1CCCCN1S(=O)(=O)NCc1ccns1
178294155	ZINC000082788886	ref	3.31	-5.33	0	292.947	4.01	1	2	0	Oc1ccc2nc(Cl)cc(Cl)c2c1Br
178294157	ZINC000082788886	mid	4.07	-33.75	-1	292.947	4.01	0	2	0	[O-]c1ccc2nc(Cl)cc(Cl)c2c1Br
214177658	ZINC000337602276	ref	5.21	-9.08	0	286.379	2.19	2	5	5	O[C@@H]1CCCC[C@H]1CCCNc1ncnc2ccncc12
365624329	ZINC000623054234	high	-0.16	-65.51	0	316.361	1.304	2	3	2	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365624340	ZINC000623054654	ref	5.01	-39.88	1	318.24	1.977	1	3	3	C[NH2+]C[C@H]1CCCN(C(=O)c2ncc(Br)s2)C1
342083951	ZINC000625341761	ref	2.45	-8.93	0	271.329	1.186	0	3	4	COCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
365624350	ZINC000623054765	ref	2.87	-58.65	1	313.361	1.641	4	3	3	Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[NH2+]C3)cc2)cc(=O)[nH]1
342083952	ZINC000625340802	ref	1.44	-51.68	-1	272.37	1.565	1	4	8	CCC[C@H](CNS(=O)(=O)c1ccccn1)OCC
178294162	ZINC000082788868	ref	6.45	-5.15	0	276.948	4.304	0	1	0	Clc1cc(Cl)c2cccc(Br)c2n1
365624353	ZINC000623054765	high	1.78	-86.36	0	313.361	1.641	3	3	3	Cc1nc(-c2ccc(NC(=O)N[C@@H]3CC[NH2+]C3)cc2)cc(=O)[n-]1
342083953	ZINC000625340802	high	1.44	-51.68	-1	272.37	1.565	0	4	8	CCC[C@H](C[N-]S(=O)(=O)c1ccccn1)OCC
342083954	ZINC000625341035	ref	5.09	-38.59	1	257.374	1.585	1	3	8	CCO[C@H](C[NH2+][C@@H]1CCOC[C@@H]1OCC)C1CC1
365624362	ZINC000623054461	ref	5.57	-56.49	1	312.377	1.375	3	4	3	O=C(Nc1cccc(-c2nnc3n2CCC3)c1)N[C@H]1CC[NH2+]C1
342599105	ZINC000616992803	ref	6.87	-37.62	1	263.385	1.875	2	2	3	Cn1cccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
349533322	ZINC000618808484	ref	5.86	-15.09	0	284.319	1.144	0	5	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CC(=O)c2ccccc21
342599106	ZINC000616992803	mid	6.9	-38.1	1	263.385	1.875	2	2	3	Cn1cccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
349533325	ZINC000618807764	ref	6.44	-19.18	0	264.373	1.99	0	4	4	CC[C@H]1CCCC[C@@H]1C(=O)N(C)Cc1cn(C)nn1
136228638	ZINC000283248713	ref	8.52	-10.89	0	245.297	2.553	0	1	1	CC#CC(=O)N1C[C@H](c2ccc(F)cc2)C[C@H]1C
342599107	ZINC000616992721	ref	6.01	-43.66	1	295.427	1.091	2	2	4	CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O
214177651	ZINC000053332804	ref	7.08	-13.82	0	335.448	2.278	1	3	4	CCC1CCC2(CC1)NC(=O)N(CC(=O)N(C)C1CCCC1)C2=O
342599108	ZINC000616992721	mid	6.01	-44.17	1	295.427	1.091	2	2	4	CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O
342599109	ZINC000194668165	ref	5.39	-16.2	0	278.377	1.878	2	3	5	CSC1(CNC(=O)c2cc(C3CC3)[nH]c(=O)c2)CC1
197598491	ZINC000290109154	ref	8.79	-10.37	0	283.393	2.401	0	4	7	CCN(CCC(=O)OC)C(=O)CCc1ccc(C)s1
342599110	ZINC000616992163	ref	6.2	-41.51	1	256.39	1.648	2	2	5	CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
282120664	ZINC000449150021	ref	5.34	-56.64	1	294.37	2.101	2	2	6	C[C@@H]1O[C@H](C)C[C@H]1[NH2+]CCCNC(=O)c1cccc(F)c1
342599111	ZINC000616992163	mid	6.14	-40.99	1	256.39	1.648	2	2	5	CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
361822969	ZINC000035784615	mid	7.51	-42.05	1	260.337	2.046	1	3	4	C[C@H]1C[N@@H+](CCOc2cccc(C#N)c2)[C@H](C)CO1
168365677	ZINC000075772215	ref	3.31	-52.99	1	126.163	-0.375	1	3	2	C[C@@H]([NH3+])Cn1cnnc1
361822976	ZINC000035973417	ref	3.37	-11.27	0	272.366	2.111	1	4	5	Cc1ccc(OS(=O)(=O)C[C@H](C)C(C)(C)O)cc1
361822989	ZINC000035789496	ref	4.33	-9.34	0	256.305	2.125	1	3	5	COCCNC(=O)c1cncc(-c2ccccc2)c1
361823001	ZINC000035832776	ref	5.13	-16.32	0	272.26	2.482	1	4	4	O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1[O-]
361823009	ZINC000035832776	low	5.13	-16.32	0	272.26	2.482	2	4	4	O=C(Cc1ccccc1)Nc1cc([N+](=O)[O-])ccc1O
361823021	ZINC000035784637	ref	7.77	-44.16	1	274.364	2.436	1	3	5	C[C@@H]1C[N@H+](CCCOc2cccc(C#N)c2)[C@H](C)CO1
361823032	ZINC000035784637	mid	7.91	-42.62	1	274.364	2.436	1	3	5	C[C@@H]1C[N@@H+](CCCOc2cccc(C#N)c2)[C@H](C)CO1
361823039	ZINC000035784637	mid	5.48	-7.35	0	274.364	2.436	0	4	5	C[C@@H]1CN(CCCOc2cccc(C#N)c2)[C@H](C)CO1
361823047	ZINC000035831417	ref	7.43	-10.68	0	288.391	2.429	1	2	4	Cc1ccc(N2CC[C@H](C(=O)NCC(C)C)C2=O)cc1C
398246903	ZINC000651453178	ref	8.25	-8.17	0	294.439	3.166	1	2	4	CC(C)COC1CCN(C(=O)NC2CC3(CCC3)C2)CC1
282120666	ZINC000533448260	low	5.6	-47.75	1	293.392	1.596	2	3	2	C[C@H]1C[NH+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@@H]1C
282120671	ZINC000533447415	ref	2.74	-5.86	0	253.346	1.217	0	5	6	CC(C)OCCN1CCN(Cc2ccno2)CC1
361822985	ZINC000614361347	ref	5.32	-16.96	0	311.345	1.724	2	5	6	COc1ccc2nc(C(=O)NCCCc3nnc[nH]3)ccc2c1
349533323	ZINC000594966473	high	4.21	-4.91	0	264.369	2.818	2	4	7	CCC(O)(CC)C(C)(C)CNCc1ccc(C#N)o1
361822995	ZINC000614361347	mid	4.94	-14.25	0	311.345	1.724	2	5	6	COc1ccc2nc(C(=O)NCCCc3nc[nH]n3)ccc2c1
214177663	ZINC000053326242	ref	2.83	-16.55	0	348.428	1.096	2	6	3	Cc1c(C(=O)N[C@@H](C)C(N)=O)sc2nc3n(c(=O)c12)CCCCC3
214177669	ZINC000053328208	ref	6.01	-14.62	0	348.406	2.451	2	4	5	Cc1ccc(-n2cc(C(=O)N[C@H](C)C(N)=O)c(-c3ccccc3)n2)cc1
214177673	ZINC000053329107	ref	5.74	-11.93	0	343.196	2.073	1	2	4	CCN1C[C@H](C(=O)NCc2ccc(F)cc2Br)CC1=O
361823003	ZINC000614363305	ref	4.36	-19.72	0	324.384	1.326	1	4	7	O=C1C[C@H](CC(=O)N(CCc2ccccn2)Cc2cccnc2)N1
361823015	ZINC000614361404	ref	6.39	-16.35	0	302.378	1.327	3	4	7	Cc1ccc([C@@H](C)[C@H](O)C(=O)NCCCc2nnc[nH]2)cc1
361823022	ZINC000614361404	mid	6.0	-13.74	0	302.378	1.327	3	4	7	Cc1ccc([C@@H](C)[C@H](O)C(=O)NCCCc2nc[nH]n2)cc1
361823031	ZINC000614363121	ref	6.07	-10.25	0	311.422	1.986	0	4	3	CO[C@H](C(=O)N1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1)C1CCC1
361823041	ZINC000614362133	ref	7.42	-42.7	1	323.481	1.87	2	2	4	CC(C)CN1C[C@H](C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1=O
361823048	ZINC000614361398	ref	5.2	-15.58	0	302.378	1.237	3	4	8	C[C@](O)(CCc1ccccc1)C(=O)NCCCc1nnc[nH]1
361823056	ZINC000614361398	mid	4.8	-13.14	0	302.378	1.237	3	4	8	C[C@](O)(CCc1ccccc1)C(=O)NCCCc1nc[nH]n1
361823067	ZINC000614361660	ref	8.56	-53.4	1	315.417	1.592	1	2	4	CN(C(=O)[C@@H]1CCN(C(=O)C2([NH+](C)C)CC2)C1)c1ccccc1
361823078	ZINC000614361660	mid	5.76	-19.35	0	315.417	1.592	0	3	4	CN(C(=O)[C@@H]1CCN(C(=O)C2(N(C)C)CC2)C1)c1ccccc1
361823086	ZINC000614362276	ref	7.64	-10.73	0	307.394	1.702	0	5	2	CCn1cnc(C(=O)N2C[C@H](C)O[C@]3(CCO[C@H](C)C3)C2)c1
361823098	ZINC000614363123	ref	6.08	-10.15	0	311.422	1.986	0	4	3	CO[C@H](C(=O)N1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1)C1CCC1
214177660	ZINC000278474036	ref	5.48	-15.21	0	315.348	2.608	0	4	3	Cc1ccc(C(=O)N2CCC[C@H](Oc3ncccc3F)C2)cn1
214177664	ZINC000278474576	ref	4.17	-10.3	0	320.37	1.286	2	6	6	Cc1cc(C(=O)NC[C@@H](O)C(=O)OCc2ccccc2)ns1
214177670	ZINC000278475584	ref	7.6	-14.52	0	317.37	2.574	0	7	5	COC[C@@H](OC(=O)c1ccc2c(c1)ncn2C)c1nccs1
214177675	ZINC000278474366	ref	11.2	-48.33	1	302.466	3.432	1	3	8	C=CCCCCC[NH+]1CCC(N(C)c2ccc(C)nn2)CC1
282120667	ZINC000248955531	mid	2.81	-41.21	1	300.786	1.342	4	3	7	C[C@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CO
282120672	ZINC000248956633	ref	6.38	-35.54	1	306.406	1.356	2	3	6	COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO
290009801	ZINC000089147680	ref	6.46	-123.18	2	252.789	3.118	2	0	4	C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1
214177690	ZINC000278475524	ref	5.02	-12.57	0	300.337	3.232	1	5	5	Cn1cc(CCNc2nnc(C3CC3)o2)c2ccc(F)cc21
214177694	ZINC000278473735	ref	6.0	-7.97	0	309.797	2.76	2	3	4	O=C(NCCC1CCCCC1)C(=O)Nc1ccc(Cl)cn1
214177698	ZINC000278474703	ref	5.37	-10.41	0	303.202	3.448	0	3	6	FC(F)(F)COCCCOc1ccnc(C(F)(F)F)c1
214177702	ZINC000278473628	ref	6.26	-16.2	0	310.375	2.472	1	5	4	CSc1ccc(C(=O)N[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-]
185090477	ZINC000096080690	ref	6.93	-13.72	0	295.342	1.75	1	2	2	O=C(c1ccc[nH]1)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1
185090478	ZINC000096080801	ref	3.09	-48.16	1	289.401	-0.712	1	3	4	CCS(=O)(=O)N1C[C@@H]2CN(C(=O)C[NH+](C)C)C[C@H]2C1
365624333	ZINC000625041585	low	8.55	-60.77	1	317.364	2.044	2	2	3	CC(=O)N1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1
365624337	ZINC000625041585	low	8.52	-51.56	1	317.364	2.044	2	2	3	CC(=O)N1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1
178294148	ZINC000358434565	high	3.1	-50.9	-1	242.242	1.242	2	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1nc[n-]n1
178294151	ZINC000062323802	ref	4.48	-9.79	0	243.31	2.438	3	1	3	Cc1cc2cc(CNC(=O)NC3CC3)ccc2[nH]1
185090479	ZINC000096080801	mid	0.71	-16.36	0	289.401	-0.712	0	4	4	CCS(=O)(=O)N1C[C@@H]2CN(C(=O)CN(C)C)C[C@H]2C1
178294156	ZINC000013535515	ref	8.87	-53.86	-1	243.335	3.096	0	3	0	Cc1cc2cc(C)c3n[n-]c(=S)n3c2cc1C
365624344	ZINC000625040849	ref	5.79	-10.91	0	319.327	2.321	1	4	5	COCC[C@@H](C)NC(=O)[C@H]1CCCn2cc(C(F)(F)F)nc21
214177707	ZINC000278473870	ref	1.75	-13.23	0	302.26	1.877	3	4	3	Cc1n[nH]cc1NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F
214177662	ZINC000337604138	ref	4.23	-38.54	1	269.389	0.842	1	2	4	CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC(=O)N(C)[C@H](C)C1
282120668	ZINC000449149648	ref	3.61	-39.34	1	285.347	2.098	2	3	6	C[C@@H]([NH2+]C1CC1)C(=O)NCc1ncoc1-c1ccccc1
282120673	ZINC000449149648	high	2.55	-11.18	0	285.347	2.098	2	4	6	C[C@@H](NC1CC1)C(=O)NCc1ncoc1-c1ccccc1
282120679	ZINC000449150120	ref	4.76	-49.77	1	269.348	2.305	1	3	5	COc1nccc(C[NH2+]C[C@@H]2CCc3ccccc32)n1
214177672	ZINC000337604402	ref	0.29	-11.58	0	292.27	0.912	3	4	5	NC(=O)c1cc(CNC(=O)NCc2ccc(F)cc2)on1
214177676	ZINC000337604808	ref	7.75	-10.49	0	286.375	2.087	0	2	3	Cc1ccc(/C=C\CC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1
282120683	ZINC000449150120	high	3.45	-10.76	0	269.348	2.305	1	4	5	COc1nccc(CNC[C@@H]2CCc3ccccc32)n1
178294160	ZINC000013535515	mid	9.03	-13.08	0	243.335	3.096	1	3	0	Cc1cc2cc(C)c3n[nH]c(=S)n3c2cc1C
214177680	ZINC000337604256	ref	9.17	-8.32	0	285.387	3.115	0	2	4	CN(C[C@@H]1OCCc2ccccc21)C(=O)C[C@H]1C=CCC1
342599112	ZINC000616992868	ref	6.25	-54.4	1	291.395	1.235	2	3	3	Cn1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1=O
214177684	ZINC000337605791	ref	6.68	-8.31	0	290.407	3.382	2	2	4	COc1cc(C)cc(CNC(=O)NC2CCC(C)CC2)c1
178294163	ZINC000004208981	ref	7.29	-2.7	0	227.126	3.972	0	1	0	Cc1cc2cc(Br)ccc2s1
398246904	ZINC000650868691	ref	5.26	-37.6	1	269.389	1.195	3	2	9	C[C@@H](COCC1CC1)NC(=O)NCC[N@H+](C)C1CC1
214177687	ZINC000337605821	ref	2.68	-12.56	0	289.251	0.686	3	5	5	O=C(CNC(=O)c1ccc([N+](=O)[O-])[nH]1)Nc1cccnc1
214177692	ZINC000337605379	ref	6.96	-39.67	1	285.457	2.056	3	2	6	CCS[C@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC1
214177693	ZINC000337605379	mid	3.77	-9.41	0	285.457	2.056	2	3	6	CCS[C@H]1CCCC[C@H]1NC(=O)NCCN1CCC1
214177697	ZINC000337602513	ref	5.47	-14.95	0	282.29	2.073	1	2	2	O=C(NC[C@@H]1CCOC1)N1CCc2cc(F)c(F)cc21
342599113	ZINC000616992868	mid	6.2	-53.85	1	291.395	1.235	2	3	3	Cn1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1=O
214177700	ZINC000337602700	ref	2.02	-8.36	0	277.349	2.346	1	5	4	COc1cc(C(=O)N[C@H](C)c2cncs2)cc(C)n1
214177704	ZINC000337602411	ref	0.22	-10.72	0	274.28	0.773	3	4	5	NC(=O)c1cc(CNC(=O)NCc2ccccc2)on1
214177706	ZINC000337602135	ref	5.19	-15.34	0	295.427	2.171	3	2	6	CC(C)(C)NC(=O)CCNC(=O)NCC1(C2CC2)CCC1
214177711	ZINC000337603610	ref	4.79	-29.25	0	272.304	0.698	2	4	5	O=C(CO)N[C@H](Cn1ccccc1=O)c1ccccc1
365624335	ZINC000336543519	ref	6.76	-7.81	0	251.37	2.452	0	2	1	CC1(C)CCCCN(C(=O)[C@H]2C[C@]23CCOC3)C1
365624343	ZINC000336543593	ref	6.42	-11.82	0	290.175	2.371	0	4	3	C[S@](=O)c1nncn1Cc1cccc(Cl)c1Cl
342083955	ZINC000625340780	ref	5.63	-10.4	0	256.256	1.483	0	4	5	O=C(c1cn(C2CC2)nn1)N(CC(F)F)C1CC1
365624351	ZINC000336544314	ref	4.95	-20.06	0	297.339	2.01	1	4	1	N#Cc1ccsc1C(=O)N1CCNC(=O)c2ccccc21
349533328	ZINC000594964538	ref	6.05	-54.84	1	295.448	2.783	1	2	5	COc1cc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)ccc1C
282120669	ZINC000151586785	ref	6.4	-19.8	0	323.356	2.399	1	6	4	O=C(Cc1ccon1)Nc1nc2ccccc2nc1N1CCCC1
342083956	ZINC000625340958	ref	2.42	-11.55	0	275.399	1.352	1	4	4	C[C@H]1CCCCN1S(=O)(=O)NCc1ccns1
365624358	ZINC000336544072	ref	6.51	-12.63	0	287.359	2.346	0	3	3	COc1cccc(C2=CCN(C(=O)[C@H]3CO[C@@H](C)C3)C2)c1
214177666	ZINC000293478693	ref	6.73	-15.67	0	373.417	0.205	1	8	4	CCOc1cccc(N2CCN(C(=O)C(=O)Nc3nc(C)n(C)n3)CC2)n1
349533334	ZINC000594966123	ref	5.56	-44.68	1	287.469	2.615	1	2	5	COC1(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CCCCC1
365624364	ZINC000336543594	ref	6.5	-26.13	0	290.175	2.371	0	4	3	C[S@@](=O)c1nncn1Cc1cccc(Cl)c1Cl
365624374	ZINC000336543602	ref	3.98	-14.28	0	298.745	2.042	2	2	2	Cc1c(F)ccc(Cl)c1C(=O)N[C@@H]1C(=O)NCC[C@H]1C
365624379	ZINC000336543621	ref	8.09	-9.91	0	272.348	2.176	0	2	3	CN1C(=O)CN(C(=O)CC2CCC2)[C@@H]1c1ccccc1
349533338	ZINC000594965579	ref	5.43	-11.61	0	295.448	2.783	1	2	5	COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@@H]([S@@](C)=O)C1
365624389	ZINC000336543978	ref	4.89	-13.5	0	289.375	2.131	1	3	2	COc1cccc2c1CCN(C(=O)[C@@H]1CCC[C@H](O)C1)C2
342083957	ZINC000625341670	ref	5.92	-14.73	0	296.411	1.709	1	3	6	CCCN(C[C@@H]1CCCCO1)C(=O)[C@H](C)[C@H]1CCC(=O)N1
349533340	ZINC000594965579	high	5.43	-11.61	0	295.448	2.783	1	3	5	COc1ccc(C)cc1CN[C@@H]1CCC[C@@H]([S@@](C)=O)C1
214177671	ZINC000293484208	ref	-1.97	-14.37	0	373.406	0.092	4	5	7	CC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
365624397	ZINC000336544462	ref	6.55	-14.51	0	281.359	2.352	1	3	2	C[C@H]1c2ccccc2CCN1C(=O)Cc1ccc(N)cn1
342083958	ZINC000625340074	ref	0.83	-9.87	0	292.379	1.229	2	4	4	CC[C@@H](O)CN1CCN(C(=O)c2c(C)cccc2O)CC1
365639406	ZINC000123592074	ref	7.84	-37.1	1	255.406	2.299	2	1	5	CC[NH+](CC)[C@H](C)CNC(=O)N1[C@@H](C)CC[C@H]1C
342083959	ZINC000625340074	mid	3.16	-44.35	1	292.379	1.229	3	3	4	CC[C@@H](O)C[NH+]1CCN(C(=O)c2c(C)cccc2O)CC1
342599114	ZINC000616992660	ref	4.49	-44.75	1	264.373	1.568	3	2	3	Cc1n[nH]cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365624347	ZINC000625038662	ref	6.2	-12.28	0	323.418	2.483	0	5	3	Cc1ncc(S(=O)(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)n1C
185090481	ZINC000096081154	ref	2.5	-15.42	0	294.376	0.788	1	3	3	Cc1ccc(CS(=O)(=O)N2CC[C@H]3NC(=O)C[C@@H]32)cc1
342599115	ZINC000616992660	mid	4.42	-44.22	1	264.373	1.568	3	2	3	Cc1n[nH]cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365624352	ZINC000625038636	ref	5.77	-17.95	0	307.438	2.408	2	2	3	C[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1
214177674	ZINC000293484208	high	-2.26	-54.25	-1	373.406	0.092	3	5	7	CC[C@H](O)CNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1
365624361	ZINC000625041119	ref	4.89	-11.97	0	307.419	2.199	1	4	5	Cc1ncc(S(=O)(=O)N[C@@H](C)[C@@H](C)c2ccccc2)n1C
214177678	ZINC000293481046	ref	2.37	-20.31	0	367.406	0.907	1	6	5	CCn1ncc(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)n1
214177681	ZINC000293487286	ref	0.87	-20.08	0	367.42	0.634	1	6	7	CCS(=O)(=O)CCNS(=O)(=O)c1cc(C(=O)OC)c(C)cc1F
214177685	ZINC000293487286	high	0.8	-53.55	-1	367.42	0.634	0	6	7	CCS(=O)(=O)CC[N-]S(=O)(=O)c1cc(C(=O)OC)c(C)cc1F
342599116	ZINC000590828704	ref	4.6	-10.3	0	293.279	1.608	1	5	3	COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H]2C[C@H]21
214177689	ZINC000293485260	ref	6.7	-11.8	0	352.391	0.734	0	8	4	COC(=O)[C@@H]1CCN(C(=O)c2nnn(C(C)C)c2C)[C@@H](C(=O)OC)C1
197598502	ZINC000290109156	ref	1.82	-9.0	0	293.348	1.646	2	6	5	C[C@@](O)(CNC(=O)c1snnc1C1CC1)c1ccco1
365624367	ZINC000625039238	ref	3.54	-8.31	0	316.348	2.366	1	4	5	Cc1cc(C(F)F)oc1C(=O)NCCN1CCOC(C)(C)C1
214177695	ZINC000293485986	ref	5.09	-22.6	0	359.386	0.769	2	6	4	COC(=O)c1ccc(C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2=O)[nH]1
214177699	ZINC000293480829	ref	5.94	-13.18	0	374.401	0.28	1	8	4	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCC(Cn2cccn2)CC1
214177705	ZINC000293482490	ref	0.81	-9.68	0	371.459	0.254	1	7	6	CC[C@H](CO)N1CCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1
214177709	ZINC000293482490	low	2.58	-45.19	1	371.459	0.254	2	6	6	CC[C@H](CO)[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1
214177712	ZINC000293487163	ref	8.03	-27.99	0	353.423	0.8	0	7	5	CN(C(=O)COCc1nncn1C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1
349533329	ZINC000618807371	ref	5.37	-14.14	0	272.299	1.599	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCCCC1(F)F
398246905	ZINC000191997679	ref	3.24	-50.48	1	242.319	0.572	2	3	4	COC(=O)C1(NC(=O)[C@@H](C)[C@@H](C)[NH3+])CCCC1
214177677	ZINC000053338915	ref	5.03	-19.41	0	328.771	1.97	1	3	4	C[C@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl
214177683	ZINC000053350685	ref	5.77	-22.61	0	349.394	1.992	2	4	3	O=C(NC1CCN(C(=O)c2ccncc2)CC1)c1ccc2[nH]cnc2c1
398246915	ZINC000285179515	ref	6.42	-5.16	0	238.356	3.537	0	4	4	C=C(C)CCc1noc([C@@H]2CCCCS2)n1
398246925	ZINC000285166919	ref	1.33	-10.26	0	202.279	0.222	2	4	2	CC(C)[C@@H](O)C(=O)NC1=NCCS1
178294175	ZINC000096928812	ref	7.18	-112.09	-2	245.234	2.248	0	5	2	Cc1cc2cc(C)c(C(=O)[O-])nc2cc1C(=O)[O-]
398246932	ZINC000285166919	high	0.92	-38.21	-1	202.279	0.222	1	4	2	CC(C)[C@@H](O)C(=O)[N-]C1=NCCS1
398246938	ZINC000285171712	ref	0.57	-8.7	0	215.278	0.193	1	4	4	C=CCNS(=O)(=O)c1c(C)cnn1C
178294179	ZINC000020210661	ref	4.36	-11.01	0	245.278	2.26	1	3	2	Cc1cc2cc(C(=O)N[C@@H]3CCOC3)ccc2o1
178294185	ZINC000269549299	ref	4.19	-8.34	0	247.294	2.114	1	3	3	Cc1cc2cc(C(=O)N(C)CCO)oc2cc1C
398246949	ZINC000004792745	ref	9.74	-8.48	0	242.705	4.236	0	1	3	O=C(/C=C/c1ccccc1)c1cccc(Cl)c1
214177688	ZINC000053350268	ref	5.82	-13.14	0	329.425	2.486	1	4	3	Cc1ccsc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1
214177691	ZINC000053337355	ref	5.15	-16.68	0	333.413	1.122	1	5	7	Cc1csc(=O)n1CC(=O)N(CCC(N)=O)Cc1ccccc1
342083960	ZINC000625340074	high	1.61	-52.83	-1	292.379	1.229	1	4	4	CC[C@@H](O)CN1CCN(C(=O)c2c(C)cccc2[O-])CC1
398246956	ZINC000285178685	ref	6.59	-5.64	0	240.372	3.567	0	4	5	C=C(C)CCSCc1noc(C(C)(C)C)n1
398246965	ZINC000191992080	ref	3.11	-49.65	1	244.335	0.819	2	3	8	COC(=O)CCCCCNC(=O)[C@H](C)[C@H](C)[NH3+]
214177696	ZINC000053332880	ref	4.93	-19.01	0	340.445	1.96	0	4	5	COc1ccc(C(=O)N(C)C2CCCC2)cc1S(=O)(=O)N(C)C
398246971	ZINC000191992085	ref	4.5	-9.07	0	228.295	0.86	1	2	1	O=C1CCN(CC#Cc2ccccc2)CCN1
178294197	ZINC000011634014	ref	6.81	-4.79	0	229.327	3.126	2	2	0	Cc1cc2cc(C(C)(C)C)ccc2[nH]c1=NN
178294200	ZINC000090663086	ref	10.02	-10.61	0	236.27	3.768	0	2	1	Cc1cc2cc(-c3ccccc3)ccc2oc1=O
168365348	ZINC000158857004	ref	6.37	-32.42	1	226.389	3.538	1	2	6	CCC(CC)C[NH2+][C@H](C)c1csc(C)n1
398246975	ZINC000191992085	mid	6.54	-49.1	1	228.295	0.86	2	1	1	O=C1CC[N@H+](CC#Cc2ccccc2)CCN1
398246981	ZINC000191992085	mid	6.55	-48.42	1	228.295	0.86	2	1	1	O=C1CC[N@@H+](CC#Cc2ccccc2)CCN1
214177701	ZINC000053335990	ref	5.55	-47.23	1	325.231	3.227	1	3	2	COc1ccc(-c2nc3c(s2)C[NH2+]CC3)cc1Br
214177703	ZINC000053335990	high	4.2	-7.61	0	325.231	3.227	1	4	2	COc1ccc(-c2nc3c(s2)CNCC3)cc1Br
214177708	ZINC000053325296	ref	11.27	-18.7	0	338.436	3.921	1	5	5	C[C@H](Sc1nncn1C)c1cccc(NC(=O)c2ccccc2)c1
214177713	ZINC000053349493	ref	9.09	-52.27	1	343.471	1.883	2	2	7	C[N@H+](CCNC(=O)C1CCN(C(=O)C2CC2)CC1)Cc1ccccc1
185090483	ZINC000096081688	ref	3.25	-7.11	0	276.384	0.715	0	5	4	Cn1ccnc1CN1C[C@@H]2OCCN(CC3CC3)[C@@H]2C1
185090485	ZINC000096081688	mid	5.0	-36.84	1	276.384	0.715	1	4	4	Cn1ccnc1CN1C[C@@H]2OCC[N@H+](CC3CC3)[C@@H]2C1
185090487	ZINC000096081688	mid	5.7	-42.65	1	276.384	0.715	1	4	4	Cn1ccnc1CN1C[C@@H]2OCC[N@@H+](CC3CC3)[C@@H]2C1
342083961	ZINC000625339998	ref	2.81	-10.95	0	289.401	1.212	1	5	8	CCC[C@@H](CNS(=O)(=O)c1cnc(C)n1C)OCC
197598505	ZINC000290110213	ref	5.3	-44.95	1	261.369	1.374	2	2	5	CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccccn1
214177716	ZINC000053349493	mid	9.09	-52.35	1	343.471	1.883	2	2	7	C[N@@H+](CCNC(=O)C1CCN(C(=O)C2CC2)CC1)Cc1ccccc1
214177721	ZINC000053349493	high	6.75	-14.64	0	343.471	1.883	1	3	7	CN(CCNC(=O)C1CCN(C(=O)C2CC2)CC1)Cc1ccccc1
214177725	ZINC000053337362	ref	7.57	-11.81	0	328.437	2.974	1	3	7	Cc1ccc(/C=C/C(=O)N(CCC(N)=O)Cc2ccccc2)s1
214177730	ZINC000053347598	ref	4.7	-14.77	0	329.352	2.405	1	5	6	COc1ccc(OC)c(CCNC(=O)c2ccc3c(c2)OCO3)c1
214177736	ZINC000053325441	ref	2.37	-9.63	0	339.823	1.474	3	3	7	CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)C(N)=O
214177739	ZINC000053326482	ref	4.69	-17.37	0	335.367	1.538	2	5	5	C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O
214177743	ZINC000053353972	ref	5.06	-12.23	0	342.424	2.551	0	6	3	Cc1cc(CN2CCN(C(=O)c3ccc4ncsc4c3)CC2)on1
214177750	ZINC000053340874	ref	9.4	-36.26	1	326.278	3.786	1	1	7	CC[NH2+]C[C@H](Cc1ccccc1Br)C[C@@H]1CCCO1
342083962	ZINC000625341764	ref	2.42	-9.65	0	271.329	1.186	0	3	4	COCCS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342083963	ZINC000625341501	ref	1.92	-13.61	0	281.418	1.536	1	4	10	CCC[C@H](CNS(=O)(=O)CC(C)(C)OC)OCC
342083964	ZINC000625341549	ref	0.98	-9.5	0	252.38	1.026	2	3	10	CCCNS(=O)(=O)NC[C@H](CCC)OCC
342083965	ZINC000625341037	ref	4.68	-36.53	1	257.374	1.585	1	3	8	CCO[C@H](C[NH2+][C@H]1CCOC[C@@H]1OCC)C1CC1
365624348	ZINC000617390541	ref	7.02	-15.13	0	291.351	0.661	0	5	4	C[C@@]1(C2CC2)CN(C(=O)CCn2cnccc2=O)CCO1
365624355	ZINC000617388953	ref	4.37	-9.27	0	257.33	0.675	0	4	5	COC[C@H](OC)C(=O)N1CCO[C@](C)(C2CC2)C1
365624363	ZINC000617388214	ref	3.72	-21.66	0	287.381	0.591	0	4	4	C[C@]1(C2CC2)CN(C(=O)CS(=O)(=O)C2CC2)CCO1
282120670	ZINC000127091534	ref	9.1	-82.8	2	279.428	1.271	2	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1
282120682	ZINC000127091534	high	6.47	-43.66	1	279.428	1.271	1	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](C2CC2)N2CCCC2)C1
365624372	ZINC000617387766	ref	4.54	-17.21	0	264.329	0.385	0	5	3	Cn1nncc1CC(=O)N1CCO[C@](C)(C2CC2)C1
365624385	ZINC000617390482	ref	3.58	-10.55	0	282.384	0.733	0	4	3	CO[C@H]1C[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)N(C)C1
365624393	ZINC000617390482	mid	5.75	-37.6	1	282.384	0.733	1	3	3	CO[C@H]1C[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)[N@H+](C)C1
365624401	ZINC000617390482	mid	5.4	-40.11	1	282.384	0.733	1	3	3	CO[C@H]1C[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)[N@@H+](C)C1
342083966	ZINC000625339997	ref	2.72	-12.21	0	289.401	1.212	1	5	8	CCC[C@H](CNS(=O)(=O)c1cnc(C)n1C)OCC
365624410	ZINC000617388208	ref	1.44	-6.63	0	255.314	0.165	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@]2(O)CCOC2)CCO1
185090489	ZINC000096080492	ref	7.31	-46.74	1	250.386	1.975	1	1	3	CC(C)C(=O)N1C[C@H]2C[N@H+](CC3CCCC3)[C@@H]2C1
365624414	ZINC000617390029	ref	3.74	-15.2	0	280.368	0.93	1	3	2	C[C@]1(C(=O)N2CCO[C@](C)(C3CC3)C2)CCC(=O)NC1
365624422	ZINC000617390020	ref	1.67	-9.55	0	298.383	0.147	2	4	5	CC(C)C(=O)N[C@@H](CO)C(=O)N1CCO[C@](C)(C2CC2)C1
365624432	ZINC000617388956	ref	4.48	-9.42	0	257.33	0.675	0	4	5	COC[C@@H](OC)C(=O)N1CCO[C@](C)(C2CC2)C1
365624439	ZINC000617390234	ref	2.82	-12.04	0	266.341	0.525	1	3	3	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CC[C@H]2C(N)=O)CCO1
365624445	ZINC000617390493	ref	7.18	-7.2	0	290.367	0.89	1	5	3	CNc1nc(C)cc(C(=O)N2CCO[C@](C)(C3CC3)C2)n1
343994525	ZINC000599272485	mid	5.89	-42.69	1	255.314	1.587	2	4	7	CCOC(=O)C[C@@H](O)C[N@@H+](C)[C@@H](C)c1ccco1
185090491	ZINC000096080492	mid	7.73	-46.32	1	250.386	1.975	1	1	3	CC(C)C(=O)N1C[C@H]2C[N@@H+](CC3CCCC3)[C@@H]2C1
365624456	ZINC000617390441	ref	3.57	-16.19	0	287.323	0.994	1	5	2	C[C@]1(C2CC2)CN(C(=O)c2ccnc3n[nH]nc23)CCO1
293079784	ZINC000360118047	ref	0.15	-19.74	0	292.401	0.185	1	4	5	COC[C@H](C)[C@H](C)C(=O)N1CCC[C@H](S(N)(=O)=O)C1
365624467	ZINC000617390420	ref	3.15	-8.71	0	287.381	0.591	0	4	3	C[C@]1(C2CC2)CN(C(=O)C2(S(C)(=O)=O)CC2)CCO1
365624473	ZINC000617387765	ref	4.25	-17.48	0	264.329	0.385	0	5	3	Cn1nncc1CC(=O)N1CCO[C@@](C)(C2CC2)C1
365624349	ZINC000274324553	low	6.53	-34.31	1	275.381	1.816	1	5	3	C[C@H](c1nccs1)[NH+]1CCN(c2ncccn2)CC1
178294177	ZINC000237053335	mid	9.31	-96.67	2	362.493	1.794	2	2	5	C[NH2+]CC1CCN(C(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1
365624357	ZINC000274326922	ref	-0.72	-10.47	0	254.334	1.068	4	3	6	CC[C@@](C)(CCO)NC(=O)NCc1c[nH]nc1C
365624365	ZINC000274326922	mid	-0.7	-9.96	0	254.334	1.068	4	3	6	CC[C@@](C)(CCO)NC(=O)NCc1cn[nH]c1C
370645374	ZINC000119106983	ref	7.62	-7.88	0	272.392	3.223	1	2	4	Cc1cccnc1CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1
178294180	ZINC000237050502	ref	5.27	-61.32	1	365.499	1.685	1	3	4	CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1
178294183	ZINC000237050502	mid	3.99	-10.48	0	365.499	1.685	1	4	4	CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1
178294186	ZINC000237045551	ref	4.3	-45.83	1	371.478	1.422	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1
214177710	ZINC000278475193	ref	4.97	-11.78	0	306.332	2.549	2	3	7	CC[C@H](C)[C@H](NC(=O)NCCCn1cccn1)C(F)(F)F
178294189	ZINC000237045551	high	3.86	-12.72	0	371.478	1.422	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1
178294193	ZINC000237049083	ref	3.51	-53.06	1	350.438	1.282	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
178294196	ZINC000237049083	high	3.18	-15.63	0	350.438	1.282	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1
178294199	ZINC000237050890	ref	3.59	-55.15	1	373.544	1.571	1	4	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
178294202	ZINC000237050890	high	3.26	-13.44	0	373.544	1.571	1	5	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)sc2C)CC1
178294205	ZINC000237048866	ref	4.27	-49.79	1	352.523	1.199	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1
178294207	ZINC000237048866	high	3.96	-11.62	0	352.523	1.199	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)NC2CCC(C)CC2)CC1
178294210	ZINC000237048724	ref	5.21	-53.6	1	358.46	1.639	1	5	7	CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C(=O)OC)oc2CC)CC1
282120675	ZINC000533447415	mid	5.02	-36.32	1	253.346	1.217	1	4	6	CC(C)OCC[NH+]1CCN(Cc2ccno2)CC1
282120680	ZINC000533447202	ref	4.15	-44.65	1	255.343	1.192	2	4	4	C[N@H+](CC(=O)Nc1nccs1)C1CCOCC1
259308831	ZINC000084399825	ref	6.86	-43.65	-1	219.24	1.513	0	3	2	C[C@H]1[C@H](C(=O)[O-])CC(=O)N1c1ccccc1
370645381	ZINC000119106214	ref	7.3	-30.79	1	277.408	3.209	2	2	5	CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)cc1
197598504	ZINC000162890749	ref	5.93	-9.5	0	306.312	2.889	1	3	6	CCOc1ccccc1C(F)(F)C(=O)NCc1cccnc1
197598506	ZINC000162880775	ref	3.39	-42.91	1	302.216	2.277	1	3	4	COCCn1ncc(Br)c1[C@H]1CCCC[C@@H]1[NH3+]
342599117	ZINC000616992335	ref	5.25	-40.04	1	278.4	1.822	3	2	4	CCc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)[nH]n1
214177714	ZINC000337605324	ref	3.36	-13.82	0	281.352	0.447	2	4	9	CCN(CCOCCO)C(=O)[C@@H](O)Cc1ccccc1
214177717	ZINC000337603234	ref	1.76	-9.34	0	292.326	0.985	1	4	5	O=C(CN1CCOCC1)N[C@H]1CCCC[C@H]1OC(F)F
214177720	ZINC000337602618	ref	-1.46	-11.02	0	265.26	0.32	3	3	5	C[C@H](NC(N)=O)C(=O)N[C@H]1CCC[C@@H]1OC(F)F
282120676	ZINC000248956633	mid	6.74	-34.14	1	306.406	1.356	2	3	6	COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO
349533332	ZINC000618808979	ref	6.87	-16.09	0	280.397	1.169	1	5	5	CSC1(C(=O)NCCc2nnc3n2CCC3)CCC1
214177723	ZINC000337605622	ref	5.35	-8.55	0	254.374	2.291	2	2	7	CO[C@H](C)CCNC(=O)NCC1(C2CC2)CCC1
365624356	ZINC000172836149	ref	2.66	-13.64	0	296.754	1.36	2	3	5	C[C@H](CNC(=O)[C@H]1CNC(=O)C1)Oc1cccc(Cl)c1
282120681	ZINC000248956633	high	4.21	-10.87	0	306.406	1.356	1	4	6	COc1ccccc1CN(C)C(=O)CN1CC[C@@H](C)[C@@H]1CO
185090493	ZINC000096080492	high	3.68	-7.67	0	250.386	1.975	0	2	3	CC(C)C(=O)N1C[C@@H]2[C@@H](C1)CN2CC1CCCC1
185090495	ZINC000096080634	ref	3.72	-14.44	0	289.335	0.258	0	4	4	COCCN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]2C1=O
365624368	ZINC000172839271	ref	4.3	-14.8	0	280.299	1.446	0	4	2	O=C(c1ccncc1F)N1CCC[C@H](C2OCCO2)C1
214177727	ZINC000337602299	ref	6.13	-42.78	1	281.787	2.406	3	1	5	C[C@@H](NC(=O)NCC[NH+]1CCC1)c1cccc(Cl)c1
214177731	ZINC000337602299	mid	2.95	-10.07	0	281.787	2.406	2	2	5	C[C@@H](NC(=O)NCCN1CCC1)c1cccc(Cl)c1
214177733	ZINC000337603999	ref	7.31	-6.48	0	258.369	3.075	1	4	6	CCC(CC)(CC)CNc1ncnc2ccncc12
214177735	ZINC000337604034	ref	7.6	-10.72	0	288.366	2.345	1	2	3	O=C([C@@H]1C[C@H]1C1CC1)N1CCN[C@H](c2cccc(F)c2)C1
214177738	ZINC000337604034	low	8.88	-54.88	1	288.366	2.345	1	1	3	O=C([C@@H]1C[C@H]1C1CC1)N1CC[NH2+][C@H](c2cccc(F)c2)C1
185090498	ZINC000096080805	ref	5.16	-52.31	1	298.408	1.301	1	3	4	CCS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2C1
342599118	ZINC000616992335	mid	5.26	-40.5	1	278.4	1.822	3	2	4	CCc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)[nH]n1
214177741	ZINC000337605796	ref	7.25	-16.37	0	277.311	2.127	1	3	5	CC[C@H](C(=O)NCC1CCC(F)(F)CC1)C(=O)OC
343994526	ZINC000139402288	ref	2.51	-4.65	0	146.186	1.13	0	3	1	COC1(C)O[C@H](C)[C@@H](C)O1
214177715	ZINC000278474058	ref	6.3	-8.56	0	319.206	2.905	1	4	4	C[C@H](NCc1c(Br)cnn1C)c1ccc(C#N)cc1
214177719	ZINC000278474058	mid	7.41	-55.58	1	319.206	2.905	1	3	4	C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(C#N)cc1
214177724	ZINC000278475756	ref	8.74	-44.69	1	322.474	3.099	2	3	8	CCC[N@@H+](CC(=O)Nc1ccccc1OC)C[C@@H]1CCSC1
349533339	ZINC000618807536	ref	4.1	-21.22	0	276.336	1.091	1	3	3	COc1ccc2c(c1)CCN(C(=O)C(C)(C)C(N)=O)C2
214177726	ZINC000278475756	mid	8.76	-44.99	1	322.474	3.099	2	3	8	CCC[N@H+](CC(=O)Nc1ccccc1OC)C[C@@H]1CCSC1
349533343	ZINC000618806779	ref	4.24	-12.78	0	286.335	1.209	1	5	3	CN(Cc1cn(C)nn1)C(=O)[C@H]1CCc2cccc(O)c21
349533348	ZINC000618807361	ref	5.58	-12.41	0	290.289	1.752	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CC[C@H](C(F)(F)F)C1
214177729	ZINC000278475756	high	6.58	-9.44	0	322.474	3.099	1	4	8	CCCN(CC(=O)Nc1ccccc1OC)C[C@@H]1CCSC1
349533352	ZINC000618807842	ref	5.67	-49.65	1	285.391	1.856	1	3	5	COCCN1CC[C@@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1
214177732	ZINC000278474143	ref	7.04	-43.8	1	303.406	1.184	2	3	4	Cc1ccc(CNC(=O)C2CC[NH+](C3CC3)CC2)c(=O)n1C
365624366	ZINC000354684485	ref	5.28	-44.83	1	295.427	1.283	2	2	6	CN(CC1CCCCC1)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
190492350	ZINC000269414094	ref	3.24	-12.68	0	284.385	1.003	1	6	4	CC(=O)NC[C@H]1CN(c2nnc(C(C)C)s2)CCO1
365624384	ZINC000354685698	ref	3.17	-11.21	0	269.385	1.859	2	3	5	CCOC1CC(C(=O)NC[C@]2(C)CCCC[C@H]2O)C1
365624402	ZINC000354684548	ref	4.23	-15.75	0	289.282	1.058	1	5	6	COC(=O)CCNC(=O)c1c(C)nn(CC(F)F)c1C
342083967	ZINC000625341372	ref	2.82	-7.54	0	270.345	1.454	1	2	4	CCCNS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
365624412	ZINC000639790627	ref	4.22	-47.56	1	287.363	1.426	2	4	5	COC[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
342083968	ZINC000625340750	ref	7.74	-40.24	1	281.444	1.661	1	2	8	CCN(CC(=O)N(C)CC1CC1)C[C@@H]1CCC[N@@H+]1CC
342083969	ZINC000625340750	mid	7.53	-37.07	1	281.444	1.661	1	2	8	CCN(CC(=O)N(C)CC1CC1)C[C@@H]1CCC[N@H+]1CC
214177737	ZINC000278474143	high	5.08	-16.51	0	303.406	1.184	1	4	4	Cc1ccc(CNC(=O)C2CCN(C3CC3)CC2)c(=O)n1C
214177740	ZINC000278474729	ref	9.56	-44.89	1	318.486	3.083	1	2	5	O=C([C@H]([NH2+]C[C@H]1CCSC1)c1ccccc1)N1CCCCC1
214177742	ZINC000278474729	high	8.43	-10.1	0	318.486	3.083	1	3	5	O=C([C@H](NC[C@H]1CCSC1)c1ccccc1)N1CCCCC1
365624419	ZINC000639790627	mid	4.52	-48.89	1	287.363	1.426	2	4	5	COC[C@@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
214177718	ZINC000293475765	ref	2.73	-11.31	0	374.449	0.465	2	8	8	CCn1nc(C)c(C(=O)NC[C@@H](NC(=O)c2nn(CC)nc2C)C2CC2)n1
214177722	ZINC000293477242	ref	5.57	-17.19	0	373.409	0.812	2	6	6	COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@@H](O)Cc2ccccc2)cn1C
214177728	ZINC000293484152	ref	2.21	-16.28	0	365.386	0.208	3	6	8	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OCCCC(=O)OC)cc1
398246907	ZINC000651454039	ref	9.31	-7.7	0	262.397	3.149	1	1	4	CN(C(=O)NC1CC2(CCC2)C1)C(C1CC1)C1CC1
214177734	ZINC000293476701	ref	10.98	-18.05	0	360.414	0.605	0	7	8	CCOC(=O)[C@H](Cc1ccccc1)N(C)C(=O)CCn1ncn(C)c1=O
282120678	ZINC000151602459	ref	9.25	-41.55	1	318.417	2.21	2	3	6	CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1
214177744	ZINC000293482923	ref	3.01	-11.86	0	372.425	0.584	3	7	8	CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@@H](O)Cc1ccccc1
214177749	ZINC000293482923	mid	5.32	-39.33	1	372.425	0.584	4	6	8	C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@@H](O)Cc1ccccc1
214177754	ZINC000293482923	mid	5.31	-39.8	1	372.425	0.584	4	6	8	C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@@H](O)Cc1ccccc1
214177757	ZINC000293475519	ref	2.83	-18.72	0	366.462	0.573	1	5	3	CC(C)(C)OC(=O)N1CCC(=CC(=O)N2CCN(CC(N)=O)CC2)CC1
214177767	ZINC000293487312	ref	1.56	-15.47	0	360.414	0.788	4	4	7	CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2
214177771	ZINC000293475985	ref	5.25	-12.28	0	374.449	0.513	0	8	4	CCn1nc(C)c(C(=O)N2CCN(C(=O)c3nn(CC)nc3C)[C@H](C)C2)n1
214177777	ZINC000293486950	ref	2.41	-21.25	0	371.39	0.319	1	5	3	COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)NC[C@H]3C2)c(C)cc1F
398246910	ZINC000651454321	ref	8.78	-41.18	1	277.383	3.225	1	1	4	Cc1ccc(F)c(CC[NH2+][C@@H]2CCC23CCOCC3)c1
214177780	ZINC000293482680	ref	5.65	-24.14	0	370.409	0.582	1	4	2	CN1C(=O)N[C@@]2(CCN(C(=O)[C@H]3CCCN(c4ccccc4)C3=O)C2)C1=O
214177783	ZINC000293478615	ref	-0.56	-13.74	0	358.435	0.422	1	6	5	COc1ccc(F)c(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1
365624371	ZINC000623053757	ref	2.58	-47.08	1	307.398	1.326	3	4	5	COCCn1cc(NC(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)cn1
365624381	ZINC000623054274	ref	4.89	-53.47	1	321.425	1.525	2	4	5	COCCn1cc(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)cn1
342083970	ZINC000625340750	high	5.36	-6.44	0	281.444	1.661	0	3	8	CCN(CC(=O)N(C)CC1CC1)C[C@@H]1CCCN1CC
349533342	ZINC000621480433	ref	6.69	-5.75	0	255.402	3.133	1	2	7	CCCC[C@H](C(=O)N[C@H](C)[C@@H]1CCCO1)C(C)C
365624376	ZINC000625039238	low	5.49	-43.17	1	316.348	2.366	2	3	5	Cc1cc(C(F)F)oc1C(=O)NCC[N@@H+]1CCOC(C)(C)C1
365624378	ZINC000625039238	low	5.49	-43.2	1	316.348	2.366	2	3	5	Cc1cc(C(F)F)oc1C(=O)NCC[N@H+]1CCOC(C)(C)C1
365624387	ZINC000625038861	ref	2.85	-8.57	0	302.321	2.058	1	4	5	CC1(C)CN(CCNC(=O)c2ccc(C(F)F)o2)CCO1
365624394	ZINC000625038861	low	4.8	-43.73	1	302.321	2.058	2	3	5	CC1(C)C[N@H+](CCNC(=O)c2ccc(C(F)F)o2)CCO1
349533346	ZINC000621482366	ref	9.45	-11.02	0	286.419	3.287	1	1	5	Cc1cccc(C)c1CCNC(=O)N1CC(CC2CC2)C1
349533350	ZINC000621482510	ref	6.62	-9.74	0	293.436	3.208	1	3	5	CC(C)c1csc(CNC(=O)N2CC(CC3CC3)C2)n1
365624407	ZINC000625038861	low	4.8	-43.71	1	302.321	2.058	2	3	5	CC1(C)C[N@@H+](CCNC(=O)c2ccc(C(F)F)o2)CCO1
365624416	ZINC000625038829	ref	4.38	-11.41	0	319.467	2.022	0	4	6	CCOC1(CS(=O)(=O)N2C[C@H](C)C[C@H]2CC)CCOCC1
365624420	ZINC000625040851	ref	5.36	-7.6	0	319.327	2.393	1	4	5	COCC[C@@H](C)NC(=O)c1nc(C(F)(F)F)n2c1CCCC2
365624430	ZINC000625038561	ref	7.0	-12.18	0	320.437	2.366	0	4	1	Cc1cc(C)n([C@H]2CCCN(C(=O)N3C[C@H](C)O[C@H](C)C3)C2)n1
365624434	ZINC000625040423	ref	7.1	-16.62	0	307.438	2.216	1	2	2	C[C@H]1C[C@@H](C)CN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)[C@@H]1C
365624442	ZINC000625041262	ref	7.51	-19.06	0	321.446	2.433	1	3	5	CCN(Cc1cccs1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
342083971	ZINC000625340123	ref	5.48	-11.18	0	263.341	1.001	0	4	2	Cc1cn2c(n1)C[C@H](C(=O)N(C)[C@@H]1CCOC1)CC2
343994527	ZINC000079927680	ref	5.17	-54.48	1	298.818	2.203	3	3	5	C[C@@H]1C[C@@H](C)C[NH+](CCCNc2cn[nH]c(=O)c2Cl)C1
342083972	ZINC000625340123	low	5.91	-36.79	1	263.341	1.001	0	3	2	Cc1cn2c([nH+]1)C[C@H](C(=O)N(C)[C@@H]1CCOC1)CC2
342083973	ZINC000625341470	ref	4.39	-11.3	0	272.389	1.87	1	3	8	CCC[C@H](CNC(=O)N1CC[C@H](COC)C1)OCC
342083974	ZINC000625340250	ref	7.56	-37.34	1	277.412	1.654	1	3	7	CCN(CCn1ccccc1=O)C[C@@H]1CCC[N@@H+]1CC
398246909	ZINC000650868691	mid	5.27	-37.83	1	269.389	1.195	3	2	9	C[C@@H](COCC1CC1)NC(=O)NCC[N@@H+](C)C1CC1
342083975	ZINC000625340250	mid	7.39	-42.81	1	277.412	1.654	1	3	7	CCN(CCn1ccccc1=O)C[C@@H]1CCC[N@H+]1CC
349533355	ZINC000621482556	ref	4.1	-15.07	0	298.346	3.046	2	4	5	C[C@@H]1C[C@@H]1CNC(=O)Nc1ccc(Oc2cccnn2)cc1
398246914	ZINC000650868691	high	2.98	-7.52	0	269.389	1.195	2	3	9	C[C@@H](COCC1CC1)NC(=O)NCCN(C)C1CC1
365624377	ZINC000274326623	ref	1.43	-39.92	1	270.76	1.401	3	2	6	C[C@@H](CC(N)=O)[NH2+]C[C@@](C)(O)c1cccc(Cl)c1
370645382	ZINC000236883352	ref	5.34	-51.39	1	262.353	2.098	1	2	5	CCOc1ccc([C@@H]2CCCN2C(=O)CC[NH3+])cc1
299072439	ZINC000567667009	ref	7.02	-42.01	1	274.408	2.497	2	1	5	CC1(C)C(NC(=O)C[C@@H]([NH3+])Cc2ccccc2)C1(C)C
299072442	ZINC000567667009	high	6.73	-7.82	0	274.408	2.497	2	2	5	CC1(C)C(NC(=O)C[C@@H](N)Cc2ccccc2)C1(C)C
299072447	ZINC000567667668	ref	5.97	-45.7	1	252.402	2.319	2	1	4	CC1CCC(CC(=O)NCC2CC[NH2+]CC2)CC1
398246913	ZINC000651453723	ref	8.82	-7.37	0	252.402	3.395	1	1	4	CCN(C(=O)NC1CC2(CCC2)C1)[C@H](C)C(C)C
398246918	ZINC000651453187	ref	8.03	-7.41	0	250.386	3.151	1	1	2	CC[C@@H]1CCCN(C(=O)NC2CC3(CCC3)C2)C1
214177746	ZINC000278475811	ref	6.92	-12.96	0	323.412	2.829	0	4	4	Cc1nc(F)ccc1CN1CCCN(C(=O)OCC(C)C)CC1
342599119	ZINC000590829445	ref	7.67	-13.77	0	263.345	1.382	1	4	4	CCn1cnnc1CNC(=O)N1CCC[C@H]1C1CC1
398246921	ZINC000651454809	ref	6.07	-9.32	0	287.407	3.121	3	2	6	O=C(NCCCNc1ccccc1)NC1CC2(CCC2)C1
398246926	ZINC000651454659	ref	8.72	-6.57	0	294.439	3.31	1	2	5	CCCN(C[C@H]1CCCCO1)C(=O)NC1CC2(CCC2)C1
398246933	ZINC000651453583	ref	6.93	-54.26	1	274.364	3.476	2	2	5	CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1
214177748	ZINC000278475811	low	9.44	-50.2	1	323.412	2.829	1	3	4	Cc1nc(F)ccc1C[N@H+]1CCCN(C(=O)OCC(C)C)CC1
342599120	ZINC000616992219	ref	4.47	-40.75	1	283.416	1.138	3	2	5	CCC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214177752	ZINC000278475811	low	9.45	-49.52	1	323.412	2.829	1	3	4	Cc1nc(F)ccc1C[N@@H+]1CCCN(C(=O)OCC(C)C)CC1
214177755	ZINC000278475000	ref	6.53	-48.59	1	310.401	2.234	2	3	4	O=C(NCC1CC[NH+](C2CC2)CC1)c1ccnc2ccncc12
365624386	ZINC000274325982	ref	4.62	-17.5	0	284.315	1.372	1	3	1	O=C1CC[C@@H](C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)N1
214177759	ZINC000278473895	ref	2.49	-11.36	0	306.288	1.5	2	4	3	C[C@@H]1OCC[C@@H]1NC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F
214177763	ZINC000278474606	ref	9.43	-48.96	1	324.877	3.178	1	2	4	O=C1[C@@H]([NH2+]C[C@H]2CCSC2)CCCN1c1ccccc1Cl
342599121	ZINC000616992219	mid	4.42	-40.34	1	283.416	1.138	3	2	5	CCC(=O)N[C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
259308834	ZINC000037873374	ref	3.08	-39.75	1	201.31	1.019	2	2	8	CC(C)COC[C@H](O)C[NH2+]CC1CC1
370645388	ZINC000236878118	ref	2.85	-44.46	1	290.285	2.171	2	2	7	CCC[C@H]([NH3+])C(=O)NCc1c(F)cccc1OC(F)F
398246917	ZINC000390758547	high	2.19	-15.52	0	225.317	1.104	1	4	2	CN(C(=O)[C@H]1NCC1(C)C)c1nccs1
398246924	ZINC000097159541	ref	5.09	-52.17	1	247.346	1.711	2	3	6	Cc1cc(C)n(CCC[NH2+]Cc2c[nH]nc2C)n1
168365350	ZINC000158857004	high	5.2	-3.12	0	226.389	3.538	1	3	6	CCC(CC)CN[C@H](C)c1csc(C)n1
342083976	ZINC000625341036	ref	4.72	-37.22	1	257.374	1.585	1	3	8	CCO[C@H](C[NH2+][C@@H]1CCOC[C@H]1OCC)C1CC1
185090501	ZINC000096080805	mid	5.36	-52.2	1	298.408	1.301	1	3	4	CCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2C1
185090503	ZINC000096080805	mid	2.64	-11.81	0	298.408	1.301	0	4	4	CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(C)o3)C[C@@H]2C1
185090504	ZINC000096080177	ref	4.18	-56.74	1	293.411	0.703	2	2	1	CC(C)C(=O)N1CCC2(CC1)C[N@H+](C)C[C@@]21CCNC1=O
365624380	ZINC000576558500	ref	4.43	-11.09	0	238.291	1.31	1	4	2	Cc1noc(NC(=O)N2CC[C@@H](C(C)C)C2)n1
185090507	ZINC000096080177	mid	4.35	-54.09	1	293.411	0.703	2	2	1	CC(C)C(=O)N1CCC2(CC1)C[N@@H+](C)C[C@@]21CCNC1=O
365624392	ZINC000576563165	ref	2.59	-36.99	1	214.309	0.311	2	2	5	CN1CCC[C@@H]([N@H+](C)CCCCO)C1=O
214177758	ZINC000337602842	ref	5.89	-8.55	0	296.436	2.295	2	3	8	COC[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)SC
398246930	ZINC000097159541	mid	5.13	-51.73	1	247.346	1.711	2	3	6	Cc1cc(C)n(CCC[NH2+]Cc2cn[nH]c2C)n1
398246934	ZINC000097159541	high	3.72	-10.79	0	247.346	1.711	2	4	6	Cc1cc(C)n(CCCNCc2c[nH]nc2C)n1
398246940	ZINC000097159590	ref	3.79	-44.23	1	236.344	1.815	2	3	5	Cc1nc(CC[NH2+]Cc2c[nH]nc2C)cs1
398246945	ZINC000097159590	low	3.83	-43.67	1	236.344	1.815	2	3	5	Cc1nc(CC[NH2+]Cc2cn[nH]c2C)cs1
398246948	ZINC000097159590	high	2.41	-7.48	0	236.344	1.815	2	4	5	Cc1nc(CCNCc2c[nH]nc2C)cs1
178294198	ZINC000082789177	ref	7.62	-8.87	0	252.241	1.945	0	4	4	COC(=O)C/C(=C\c1ccc(F)cc1)C(=O)OC
342083977	ZINC000608892088	ref	4.29	-6.24	0	265.353	1.824	1	4	9	COC(=O)CN(CCCCCO)Cc1ccccc1
342083978	ZINC000608892088	mid	6.44	-37.4	1	265.353	1.824	2	3	9	COC(=O)C[N@H+](CCCCCO)Cc1ccccc1
342083979	ZINC000608892088	mid	6.41	-37.34	1	265.353	1.824	2	3	9	COC(=O)C[N@@H+](CCCCCO)Cc1ccccc1
342083980	ZINC000625341000	ref	3.5	-6.15	0	296.333	1.49	2	2	4	C[C@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(F)(F)F
178294206	ZINC000082788872	ref	5.13	-18.9	0	258.14	2.47	0	2	3	N#CCC[S@@](=O)c1ccc(Br)cc1
342083981	ZINC000625341000	mid	3.5	-6.15	0	296.333	1.49	1	3	4	C[C@H](CC(=O)N1CCN(CC(C)(C)O)CC1)C(F)(F)F
342083982	ZINC000625340075	ref	0.92	-10.14	0	292.379	1.229	2	4	4	CC[C@H](O)CN1CCN(C(=O)c2c(C)cccc2O)CC1
342083983	ZINC000625340075	mid	3.15	-44.0	1	292.379	1.229	3	3	4	CC[C@H](O)C[NH+]1CCN(C(=O)c2c(C)cccc2O)CC1
398246919	ZINC000649444424	mid	3.88	-7.69	0	217.154	1.224	1	4	1	Cn1ncnc1-c1cc(C(F)(F)F)n[nH]1
342083984	ZINC000625340075	high	1.69	-53.57	-1	292.379	1.229	1	4	4	CC[C@H](O)CN1CCN(C(=O)c2c(C)cccc2[O-])CC1
342083985	ZINC000625340805	ref	1.49	-50.84	-1	272.37	1.565	1	4	8	CCC[C@@H](CNS(=O)(=O)c1ccccn1)OCC
214177761	ZINC000053347690	ref	5.04	-16.36	0	334.416	1.621	1	4	6	COc1ccc(OC)c(CCNC(=O)[C@H]2CCCN(C(C)=O)C2)c1
214177764	ZINC000053326736	ref	4.3	-9.24	0	340.152	1.612	1	4	3	Cn1nc(C(=O)NCc2ccc(F)cc2Br)ccc1=O
214177770	ZINC000053327169	ref	3.38	-13.17	0	326.274	2.569	2	3	4	C[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(N)=O
398246922	ZINC000649444378	ref	6.76	-10.81	0	241.294	1.914	0	3	1	Cc1c(-c2ccc3c(c2)CC(=O)N3C)cnn1C
214177779	ZINC000053346241	ref	-0.57	-60.76	-1	340.339	1.141	2	5	5	CO[C@H](CNC(=O)c1c[nH]c2nc(=O)[n-]c(=O)c-2c1)c1ccccc1
178294216	ZINC000125390697	ref	2.83	-8.51	0	247.294	2.16	2	3	3	Cc1cc2cc(C(=O)N[C@@H](C)CO)oc2cc1C
214177781	ZINC000053346241	low	1.26	-20.83	0	340.339	1.141	3	5	5	CO[C@H](CNC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccccc1
214177785	ZINC000053325803	ref	2.92	-13.62	0	337.807	1.182	2	3	4	C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(N)=O
178294222	ZINC000032099533	ref	6.63	-48.13	-1	201.225	2.55	0	3	1	Cc1cc2cc(C(=O)[O-])cnc2cc1C
178294226	ZINC000340665204	ref	3.41	-17.93	0	242.238	2.112	2	4	2	Cc1cc2c[nH]nc2cc1NC(=O)c1ccon1
185090508	ZINC000096081391	ref	6.36	-45.96	1	263.316	1.244	1	2	1	C[N@@H+]1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1
178294230	ZINC000353817049	ref	8.77	-38.81	1	242.366	3.755	2	0	5	Cc1cc2cc(C[NH2+][C@@H](C)CC3CC3)ccc2[nH]1
178294234	ZINC000091692719	ref	5.55	-7.92	0	243.697	3.587	1	2	1	Cc1cc2cc(-c3cccnc3)[nH]c2c(Cl)n1
230234955	ZINC000354771448	low	3.31	-42.66	1	288.344	-0.909	2	5	9	COCC[N@@H+](CC(=O)OC)C[C@H](O)CN1CCCC1=O
230234960	ZINC000354771448	low	3.12	-46.85	1	288.344	-0.909	2	5	9	COCC[N@H+](CC(=O)OC)C[C@H](O)CN1CCCC1=O
230234968	ZINC000354800281	ref	3.35	-25.05	0	267.285	-0.427	2	5	5	COC(=O)COCC(=O)N[C@H]1CCc2c[nH]nc2C1
230234973	ZINC000354805739	ref	0.32	-10.8	0	288.344	-0.863	2	6	6	CCOC(=O)[C@@](C)(O)CN1CCO[C@@H](CNC(C)=O)C1
230234981	ZINC000354805739	low	1.74	-46.34	1	288.344	-0.863	3	5	6	CCOC(=O)[C@@](C)(O)C[N@@H+]1CCO[C@@H](CNC(C)=O)C1
342083986	ZINC000625340805	high	1.49	-50.84	-1	272.37	1.565	0	4	8	CCC[C@@H](C[N-]S(=O)(=O)c1ccccn1)OCC
342083987	ZINC000625340677	ref	4.63	-9.48	0	290.289	1.99	1	3	2	C[C@@H]1CCN(C(=O)NCc2c(C(F)(F)F)cnn2C)C1
342083988	ZINC000625341540	ref	2.73	-9.18	0	295.445	1.782	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@@H](OC)C(C)C)OCC
214177766	ZINC000278474606	high	8.23	-8.88	0	324.877	3.178	1	3	4	O=C1[C@@H](NC[C@H]2CCSC2)CCCN1c1ccccc1Cl
214177769	ZINC000278473893	ref	2.49	-11.44	0	306.288	1.5	2	4	3	C[C@@H]1OCC[C@@H]1NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F
342083989	ZINC000625341333	ref	5.3	-36.82	1	296.333	1.634	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@](O)(CC)C1
214177775	ZINC000278474054	ref	9.53	-9.26	0	300.406	2.956	1	4	7	CC[C@H](CC(=O)NCc1ncnn1-c1ccccc1)C(C)C
178294217	ZINC000082788777	ref	3.51	-6.57	0	272.529	3.665	1	2	0	Cc1cc(Cl)c2c(Br)c(O)ccc2n1
365624382	ZINC000565265832	ref	4.92	-13.22	0	274.28	1.865	2	4	4	Cc1[nH]nc(C(=O)NCc2cccc([N+](=O)[O-])c2)c1C
365624391	ZINC000565265832	mid	4.97	-13.18	0	274.28	1.865	2	4	4	Cc1n[nH]c(C(=O)NCc2cccc([N+](=O)[O-])c2)c1C
178294218	ZINC000082788777	mid	4.26	-39.48	-1	272.529	3.665	0	2	0	Cc1cc(Cl)c2c(Br)c([O-])ccc2n1
178294220	ZINC000082788890	ref	7.17	-2.62	0	290.975	4.613	0	1	0	Cc1cc(Br)cc2c(Cl)cc(Cl)nc12
342083990	ZINC000625341333	mid	5.25	-37.73	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@](O)(CC)C1
342083991	ZINC000625341333	mid	5.3	-36.82	1	296.333	1.634	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@](O)(CC)C1
342083992	ZINC000625340728	ref	2.02	-11.38	0	293.429	1.678	1	4	8	CCC[C@H](CNS(=O)(=O)[C@@H]1COC(C)(C)C1)OCC
214177778	ZINC000278473894	ref	2.12	-11.64	0	306.288	1.5	2	4	3	C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F
214177786	ZINC000278473615	ref	3.8	-10.48	0	304.379	1.327	3	8	4	Cn1ncc2c(N)nc(NC[C@@](C)(O)c3cccs3)nc21
214177790	ZINC000278473615	low	4.17	-35.54	1	304.379	1.327	3	7	4	Cn1ncc2c(N)[nH+]c(NC[C@@](C)(O)c3cccs3)nc21
214177793	ZINC000278474342	ref	7.34	-17.76	0	315.417	2.644	2	2	6	CC(C)NC(=O)CN(C)C(=O)C[C@H](C)c1c[nH]c2ccccc12
178294229	ZINC000082788873	ref	5.51	-2.58	0	282.048	4.44	0	2	1	FC(F)(F)Oc1ccc2nc(Cl)cc(Cl)c2c1
365624403	ZINC000172840472	ref	4.56	-10.39	0	269.366	1.879	0	3	4	CN(c1ccccc1)S(=O)(=O)CC1CCOCC1
178294235	ZINC000082788893	ref	6.42	-3.56	0	294.938	4.443	0	1	0	Fc1cc(Br)cc2c(Cl)cc(Cl)nc12
214177797	ZINC000278474117	ref	5.62	-15.04	0	315.348	2.608	0	4	3	Cc1cccnc1C(=O)N1CCC[C@H](Oc2ncccc2F)C1
342599122	ZINC000590829063	ref	4.38	-9.63	0	273.292	1.572	1	4	2	COc1cc(C#N)ccc1NC(=O)N1CCO[C@@H]2C[C@@H]21
282120684	ZINC000286363374	high	3.84	-9.86	0	269.414	2.342	2	4	7	CCC(CC)(CN[C@@H](C)c1ccc(=O)[nH]n1)SC
342599123	ZINC000616992215	ref	4.49	-40.4	1	283.416	1.138	3	2	5	CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
282120691	ZINC000263102725	ref	7.0	-35.83	0	259.39	2.528	1	3	10	CCC(CC)(C[NH2+][C@@H](COC)CC(C)C)C(=O)[O-]
365624390	ZINC000623054255	ref	2.17	-57.02	1	323.418	1.354	3	3	3	CS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1
214177776	ZINC000337602937	ref	5.77	-12.39	0	276.38	3.133	0	3	4	CCOc1ncccc1C(=O)N1CCC(C)(CC)CC1
342599124	ZINC000616992215	mid	4.49	-40.72	1	283.416	1.138	3	2	5	CCC(=O)N[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599125	ZINC000590829449	ref	7.17	-15.65	0	275.356	1.308	1	4	3	O=C(NCc1nnc2n1CCC2)N1CCC[C@H]1C1CC1
214177782	ZINC000337602049	ref	2.89	-23.86	0	274.361	0.102	1	4	10	CCN(CCOCCO)C(=O)CCCC(=O)N(C)C
214177784	ZINC000337602088	ref	2.74	-26.42	0	299.283	0.166	2	6	8	CCN(CCOCCO)C(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1
168365351	ZINC000021813084	ref	6.96	-3.19	0	221.344	3.852	1	2	6	CCC(CC)CNc1cc(C)ccc1OC
168365354	ZINC000308935567	ref	4.19	-50.22	1	212.337	1.679	2	1	5	CCC(CC)C[NH2+][C@H]1CCC(=O)N[C@@H]1C
398246920	ZINC000650868569	ref	1.82	-16.69	0	274.386	1.053	2	3	6	CS(=O)(=O)CCCNC(=O)NC1(C2CCC2)CC1
214177789	ZINC000337602088	mid	1.59	-46.5	-1	299.283	0.166	1	6	8	CCN(CCOCCO)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1
214177795	ZINC000337603738	ref	7.27	-9.81	0	287.407	2.393	2	2	5	C[C@@H](CNC(=O)NC[C@@H]1C[C@H]1C)N1CCc2ccccc21
342599126	ZINC000590829127	ref	4.87	-12.52	0	295.339	1.942	2	5	6	CCOc1cccc(NC(=O)N[C@@H](C)C(=O)OC(C)C)n1
214177798	ZINC000337605411	ref	1.08	-14.74	0	297.351	0.413	2	5	9	C[C@@H](Oc1cccc(CO)c1)C(=O)N(C)CCOCCO
342599127	ZINC000590829340	ref	8.27	-43.18	1	287.363	1.276	2	2	2	C[N@@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1
342599128	ZINC000590829340	mid	8.27	-46.63	1	287.363	1.276	2	2	2	C[N@H+]1CCCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1
214177801	ZINC000337605022	ref	3.64	-9.87	0	294.317	2.443	2	2	3	O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N[C@@H]1CCOC1
214177805	ZINC000337604212	ref	-0.46	-20.36	0	261.322	-0.573	2	4	9	COCCOCCNC(=O)NCCC(=O)N(C)C
214177808	ZINC000337604216	ref	6.56	-43.77	1	287.473	2.157	3	2	6	CC(C)C[C@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1
365639407	ZINC000576623931	ref	5.56	-54.33	1	240.278	1.781	2	2	4	COC(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)[nH]1
214177787	ZINC000293478615	mid	0.63	-54.2	1	358.435	0.422	1	5	5	COc1ccc(F)c(C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1
178294214	ZINC000237050487	ref	4.37	-47.17	1	360.502	1.243	3	3	9	CC[C@@H](C)[C@@H](NC(=O)c1ccccc1)C(=O)NCCCN1CC[NH2+]CC1
178294219	ZINC000237045427	ref	1.55	-51.11	1	353.467	1.185	1	6	7	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1
178294221	ZINC000237045427	high	1.24	-12.27	0	353.467	1.185	1	7	7	CC[C@H](C)[C@@H](N)C(=O)N1CCCN(Cc2nc([C@@H](C)OC)no2)CC1
178294225	ZINC000237047946	ref	7.78	-59.49	1	366.512	1.447	1	6	6	C[NH2+]CC1CCN(C(=O)CSCc2cc(=O)n3ccsc3n2)CC1
178294228	ZINC000237041946	ref	4.71	-53.55	1	368.499	1.568	1	4	8	CC[NH2+]CC1CCN(C(=O)c2ccc(S(=O)(=O)CCOC)cc2)CC1
178294231	ZINC000237055855	ref	6.02	-53.64	1	372.513	1.483	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
398246923	ZINC000650866565	ref	4.03	-15.43	0	254.374	1.842	2	2	3	CC[C@@H]1C[C@@H](C(=O)N[C@H](C)C(C)(C)C)CC(=O)N1
214177791	ZINC000293487292	ref	4.53	-10.36	0	357.418	0.46	1	7	2	Cc1ccc(NC(=O)C(=O)N2C[C@H](C)N(C)[C@H](C)C2)cc1-n1cnnn1
214177792	ZINC000293487292	mid	6.73	-44.34	1	357.418	0.46	2	6	2	Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](C)[C@H](C)C2)cc1-n1cnnn1
178294233	ZINC000237055855	high	5.69	-16.15	0	372.513	1.483	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)N2CCCc3ccccc32)CC1
214177796	ZINC000293487292	mid	6.32	-44.78	1	357.418	0.46	2	6	2	Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](C)[C@H](C)C2)cc1-n1cnnn1
214177799	ZINC000293487713	ref	4.31	-12.71	0	360.458	0.807	1	4	3	C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@@H](C)N1C
178294236	ZINC000237048905	ref	5.28	-55.14	1	365.499	1.685	1	3	4	CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+]CC2)cc1
178294242	ZINC000237048905	mid	4.02	-11.29	0	365.499	1.685	1	4	4	CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1
365624398	ZINC000576563165	mid	2.57	-37.57	1	214.309	0.311	2	2	5	CN1CCC[C@@H]([N@@H+](C)CCCCO)C1=O
178294244	ZINC000237047151	ref	7.55	-54.66	1	361.486	1.726	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1
178294248	ZINC000237047151	high	7.22	-14.77	0	361.486	1.726	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)COc2cc(C)cc(C)c2)CC1
349533344	ZINC000594964972	ref	4.19	-14.66	0	299.411	2.614	1	2	5	COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1F
178294237	ZINC000004769285	ref	10.22	-11.32	0	244.293	4.36	0	1	0	Cc1cc2c3c(cccc3c1)C(=O)c1ccccc1-2
178294240	ZINC000001704512	ref	8.78	-12.13	0	244.297	4.245	0	2	0	Cc1cc2c3ccccc3c3ccccc3c2nn1
178294245	ZINC000011980047	ref	2.77	-44.72	1	202.257	1.604	2	1	1	Cc1cc2cc(C[NH3+])c(=O)[nH]c2cc1C
178294249	ZINC000011980047	high	2.37	-8.1	0	202.257	1.604	2	2	1	Cc1cc2cc(CN)c(=O)[nH]c2cc1C
178294251	ZINC000274433774	ref	3.76	-49.16	1	246.31	2.127	2	2	3	Cc1cc2cc(C(=O)N[C@H](C)C[NH3+])oc2cc1C
178294255	ZINC000336421234	ref	2.04	-45.78	1	232.287	1.547	3	2	3	Cc1cc2c[nH]nc2cc1NC(=O)C[C@H](C)[NH3+]
178294259	ZINC000173000294	ref	6.04	-7.2	0	231.295	3.188	1	2	2	Cc1cc2cc(C(=O)NC(C)C)oc2cc1C
365624399	ZINC000637717869	ref	7.66	-40.81	1	295.427	1.68	2	2	4	C[NH+](C)[C@@H]1CCN(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)C1
370645384	ZINC000566201701	ref	2.98	-55.13	1	266.341	1.065	2	3	7	COc1cccc(COCC(=O)NCC(C)(C)[NH3+])c1
398246927	ZINC000649444408	ref	6.84	-3.78	0	202.297	3.033	1	1	4	C=C(C)c1ccc(C[C@@H](O)C2CC2)cc1
214190523	ZINC000278495578	mid	7.55	-4.33	0	320.502	3.461	1	4	5	C[C@@H]1CN(Cc2ccccc2NC[C@H]2CCSC2)C[C@@H](C)O1
398246929	ZINC000649444558	ref	2.18	-9.15	0	209.274	1.861	0	5	2	COc1nc(-c2cnn(C)c2C)cs1
282120685	ZINC000533447202	mid	4.15	-44.61	1	255.343	1.192	2	4	4	C[N@@H+](CC(=O)Nc1nccs1)C1CCOCC1
398246936	ZINC000649444428	ref	8.69	-8.82	0	214.312	3.959	0	2	2	C=C(C)c1ccc2c(c1)nc(C)n2C(C)C
282120695	ZINC000533447202	mid	1.78	-13.24	0	255.343	1.192	1	5	4	CN(CC(=O)Nc1nccs1)C1CCOCC1
178294273	ZINC000262532804	ref	3.76	-49.16	1	246.31	2.127	2	2	3	Cc1cc2cc(C(=O)N[C@@H](C)C[NH3+])oc2cc1C
365624409	ZINC000637717869	high	4.81	-7.12	0	295.427	1.68	1	3	4	CN(C)[C@@H]1CCN(C(=O)N[C@H](C2CCC2)[C@H]2CCCO2)C1
398246941	ZINC000649444428	low	9.14	-25.87	1	214.312	3.959	0	1	2	C=C(C)c1ccc2c(c1)[nH+]c(C)n2C(C)C
398246944	ZINC000649444356	ref	5.54	-7.58	0	202.257	2.697	1	1	1	C=C(C)c1ccc2c(c1)CN(C)C(=O)N2
365624417	ZINC000274326319	ref	0.54	-10.05	0	295.335	1.013	2	5	4	COc1ccc(O)c(C(=O)N2CCOC[C@H]2C[C@H](C)O)c1
185386278	ZINC000096751419	ref	5.02	-11.52	0	324.384	2.152	2	5	4	Nc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)nc2)cc1
185386279	ZINC000096749578	ref	5.43	-63.14	-1	315.354	2.05	2	5	5	O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1cscn1
370645394	ZINC000566199742	ref	6.04	-88.2	2	269.433	1.611	3	1	7	CC(C)[NH2+]CCCNC(=O)C1CC[NH+](C(C)C)CC1
282120686	ZINC000248954745	ref	2.21	-10.98	0	305.403	1.787	1	6	4	C[C@@H]1CN(Cc2nnc(-c3ccccc3)s2)C[C@@H](CO)O1
185090510	ZINC000096081391	mid	6.19	-45.79	1	263.316	1.244	1	2	1	C[N@H+]1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1
342083993	ZINC000625340922	ref	7.59	-37.37	1	250.39	1.689	1	3	7	CCN(CCn1ccnc1)C[C@H]1CCC[N@@H+]1CC
342083994	ZINC000625340922	mid	7.61	-46.58	1	250.39	1.689	1	3	7	CCN(CCn1ccnc1)C[C@H]1CCC[N@H+]1CC
342083995	ZINC000625340922	mid	7.29	-46.68	1	250.39	1.689	1	3	7	CCN1CCC[C@@H]1C[N@H+](CC)CCn1ccnc1
342083996	ZINC000625340922	mid	9.32	-84.4	2	250.39	1.689	1	3	7	CCN1CCC[C@@H]1C[N@@H+](CC)CCn1ccnc1
342083997	ZINC000625340922	low	8.1	-79.89	2	250.39	1.689	1	2	7	CCN(CCn1cc[nH+]c1)C[C@H]1CCC[N@@H+]1CC
185090512	ZINC000096081391	high	4.18	-11.56	0	263.316	1.244	0	3	1	CN1CC[C@H]2CN(C(=O)c3ccncc3F)C[C@H]2C1
178294247	ZINC000082788775	ref	3.52	-6.77	0	272.529	3.665	1	2	0	Cc1cc(Cl)c2c(Br)ccc(O)c2n1
185090514	ZINC000096080180	ref	6.29	-101.46	2	277.412	0.93	3	1	2	C[NH+]1CCC2(CC1)C[N@H+](CC1CC1)C[C@]21CCNC1=O
178294250	ZINC000082788775	high	4.29	-43.09	-1	272.529	3.665	0	2	0	Cc1cc(Cl)c2c(Br)ccc([O-])c2n1
342083998	ZINC000625340922	low	8.1	-79.89	2	250.39	1.689	1	2	7	CCN(CCn1cc[nH+]c1)C[C@H]1CCC[N@H+]1CC
282120692	ZINC000248955526	ref	-0.49	-10.01	0	300.786	1.342	3	4	7	C[C@@H](O)CN(CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CO
282120696	ZINC000248955526	mid	2.06	-36.23	1	300.786	1.342	4	3	7	C[C@@H](O)C[N@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CO
342083999	ZINC000625341006	ref	0.2	-7.31	0	287.363	1.739	2	4	7	COc1cncc(C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)n1
342084000	ZINC000625341006	high	0.2	-7.31	0	287.363	1.739	2	5	7	COc1cncc(CN[C@H](CO)[C@@H](C)c2ccccc2)n1
282120701	ZINC000248955526	mid	1.81	-37.21	1	300.786	1.342	4	3	7	C[C@@H](O)C[N@@H+](CC(=O)Nc1ccc(Cl)cc1)[C@H](C)CO
342084001	ZINC000625340739	ref	4.49	-39.97	1	270.417	1.633	3	2	5	CC[C@]1(CO)CCC[N@H+](CC(=O)NCC(C)(C)C)C1
342084002	ZINC000625340739	mid	4.47	-39.95	1	270.417	1.633	3	2	5	CC[C@]1(CO)CCC[N@@H+](CC(=O)NCC(C)(C)C)C1
342084003	ZINC000625340739	mid	2.75	-8.73	0	270.417	1.633	2	3	5	CC[C@]1(CO)CCCN(CC(=O)NCC(C)(C)C)C1
342084004	ZINC000625341175	ref	4.35	-34.69	1	271.401	1.665	2	3	6	C[C@@H]1CC[C@](CO)([N@H+](C)CCOC2CCOCC2)C1
178294265	ZINC000082788871	ref	5.12	-18.9	0	258.14	2.47	0	2	3	N#CCC[S@](=O)c1ccc(Br)cc1
342084005	ZINC000625341175	mid	4.35	-34.69	1	271.401	1.665	2	3	6	C[C@@H]1CC[C@](CO)([N@@H+](C)CCOC2CCOCC2)C1
178294252	ZINC000237050113	ref	4.32	-50.48	1	360.451	1.853	1	4	7	CC[NH2+]CC1CCN(S(=O)(=O)c2cc(OC)c(OC)cc2F)CC1
178294257	ZINC000237050446	ref	5.06	-46.85	-1	363.233	1.562	1	5	5	CN(CC(=O)NC(C)(C)C(=O)[O-])C(=O)c1ccc(Br)s1
178294260	ZINC000237052707	ref	5.96	-53.86	1	357.432	1.614	1	5	7	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(OC)c2)CC1
349533349	ZINC000594964972	high	4.19	-14.66	0	299.411	2.614	1	3	5	COc1ccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)cc1F
178294266	ZINC000237043492	ref	0.84	-11.02	0	352.504	1.022	2	6	6	CCc1nc(CN2CCC(CNC(=O)[C@@H]3COCCN3)CC2)cs1
178294271	ZINC000237043492	mid	2.21	-41.94	1	352.504	1.022	2	5	6	CCc1nc(CN2CCC(CNC(=O)[C@@H]3COCC[NH2+]3)CC2)cs1
365638857	ZINC000274370882	ref	6.64	-105.01	2	295.402	1.745	3	2	6	C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cncc(F)c2)CC1
190597622	ZINC000270097153	ref	6.93	-11.57	0	283.375	2.264	2	2	5	O=C(NCCCc1ccccc1)[C@@H]1CCc2n[nH]cc2C1
178294274	ZINC000237043492	low	4.95	-86.73	2	352.504	1.022	3	4	6	CCc1nc(C[NH+]2CCC(CNC(=O)[C@@H]3COCC[NH2+]3)CC2)cs1
190597623	ZINC000270095099	ref	8.01	-12.58	0	298.35	2.155	1	5	2	CC1=CCN(C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1
342599129	ZINC000590829340	high	6.19	-13.66	0	287.363	1.276	1	3	2	CN1CCCN(C(=O)C[C@H]2C(=O)Nc3ccccc32)CC1
349533353	ZINC000594965493	ref	7.83	-50.1	1	291.46	2.955	1	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cccc3c2CCC3)C1
398246928	ZINC000650865592	ref	4.74	-42.62	1	296.459	1.356	3	2	4	CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C
398246931	ZINC000650865592	mid	5.18	-41.86	1	296.459	1.356	3	2	4	CN1CC[N@@H+](C)C[C@H]1CNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C
398246935	ZINC000650865592	mid	2.8	-6.11	0	296.459	1.356	2	3	4	CN1CCN(C)[C@H](CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C1
178294276	ZINC000237041706	ref	7.61	-59.27	-1	369.215	1.781	1	4	5	CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccccc2Br)C1)C(=O)[O-]
398246939	ZINC000650865592	low	4.33	-40.74	1	296.459	1.356	3	2	4	CN1CC[N@H+](C)[C@H](CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C1
398246943	ZINC000650865592	low	4.9	-39.53	1	296.459	1.356	3	2	4	CN1CC[N@@H+](C)[C@H](CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C1
168366277	ZINC000054161188	ref	2.12	-38.0	1	197.282	1.548	1	3	3	C[C@@H]([NH3+])Cc1noc(CC(C)(C)C)n1
398246947	ZINC000650867849	ref	5.23	-17.71	0	290.367	1.449	2	4	6	C[C@H](CCO)N(C)C(=O)NCCn1cnc2ccccc21
398246953	ZINC000650864869	ref	6.13	-37.41	1	297.443	1.975	3	2	8	CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)COCC1CC1
342599130	ZINC000590829064	ref	4.34	-10.21	0	273.292	1.572	1	4	2	COc1cc(C#N)ccc1NC(=O)N1CCO[C@H]2C[C@H]21
365624400	ZINC000623053739	ref	6.34	-49.93	1	319.796	1.699	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CCC[C@H]([NH3+])C1
214177788	ZINC000053339456	ref	5.93	-11.34	0	336.395	2.655	1	5	7	CCOc1ccc(C(=O)NCc2cnn(Cc3ccccc3)c2)cn1
365624411	ZINC000623054139	ref	5.77	-46.9	1	319.796	1.617	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC1CC[NH2+]CC1
197598521	ZINC000162889289	ref	5.46	-10.04	0	301.419	2.133	0	6	4	c1cnnc(N2CCN(Cc3csc(C4CC4)n3)CC2)c1
342599131	ZINC000616992164	ref	6.22	-40.48	1	256.39	1.648	2	2	5	CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
168365352	ZINC000368501866	ref	7.25	-10.7	0	344.465	3.096	1	6	2	CCc1ccsc1C(=O)N1CCc2c(sc3ncnc(N)c23)C1
214177794	ZINC000053336645	ref	7.85	-11.74	0	342.464	3.145	1	3	6	NC(=O)CCN(Cc1ccccc1)C(=O)c1csc2c1CCCC2
214177800	ZINC000053339507	ref	8.04	-12.48	0	337.427	2.813	1	5	5	CC(C)(C)n1cc(C(=O)NCc2cnn(Cc3ccccc3)c2)cn1
168365681	ZINC000082889536	ref	1.09	-39.94	1	191.234	0.715	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1cn2ccccc2n1
185090516	ZINC000096080180	mid	6.24	-103.97	2	277.412	0.93	3	1	2	C[NH+]1CCC2(CC1)C[N@@H+](CC1CC1)C[C@]21CCNC1=O
342599132	ZINC000616992164	mid	6.22	-41.15	1	256.39	1.648	2	2	5	CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214177804	ZINC000053326381	ref	5.44	-11.33	0	343.196	2.073	1	2	3	CN1CC[C@H](C(=O)NCc2ccc(F)cc2Br)CC1=O
214177812	ZINC000053325299	ref	11.27	-18.22	0	338.436	3.921	1	5	5	C[C@@H](Sc1nncn1C)c1cccc(NC(=O)c2ccccc2)c1
214177816	ZINC000053338321	ref	6.87	-9.9	0	338.329	3.256	0	3	3	O=C(c1ccc(C(F)(F)F)cc1)N1CCN(Cc2ccco2)CC1
214177822	ZINC000053338321	low	9.09	-48.98	1	338.329	3.256	1	2	3	O=C(c1ccc(C(F)(F)F)cc1)N1CC[NH+](Cc2ccco2)CC1
214177827	ZINC000053335989	ref	4.61	-15.78	0	326.352	1.933	1	4	6	NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2
214177831	ZINC000053353708	ref	8.1	-10.52	0	330.457	2.429	1	5	6	Cn1ccnc1SCC(=O)NCc1ccc(N2CCCC2)cc1
342599133	ZINC000590829869	ref	7.47	-23.0	0	282.307	1.563	1	5	2	Cc1ccnc(-n2nccc2NC(=O)N2CC(C#N)C2)c1
342599134	ZINC000590829154	ref	4.76	-24.14	0	282.25	1.713	1	4	4	N#CC1CN(C(=O)Nc2cccc(OCC(F)F)n2)C1
214177802	ZINC000278474812	ref	4.32	-46.76	-1	323.418	2.89	0	5	5	COc1cc(C)cc([N-]S(=O)(=O)c2cnn(C(C)C)c2)c1C
282120687	ZINC000151602459	high	6.79	-9.81	0	318.417	2.21	1	4	6	CCOC(=O)[C@@H]1CC[C@H](NC(=O)c2cccc(CN(C)C)c2)C1
349533356	ZINC000623669540	ref	5.18	-34.83	1	251.374	1.841	2	3	4	Cn1ccnc1C[NH2+][C@@]1(CO)CCCC(C)(C)C1
185090518	ZINC000096080180	high	3.9	-38.33	1	277.412	0.93	2	2	2	CN1CCC2(CC1)C[N@H+](CC1CC1)C[C@]21CCNC1=O
282120690	ZINC000151604344	ref	6.71	-9.99	0	316.405	2.285	1	5	6	COC[C@@H](NC(=O)c1ccc(-n2nc(C)cc2C)nc1)C(C)C
282120699	ZINC000151600599	ref	3.64	-12.09	0	320.418	2.309	1	6	6	COC[C@H](NC(=O)c1sc(-c2ncccn2)nc1C)C(C)C
185090520	ZINC000096080180	high	3.86	-40.93	1	277.412	0.93	2	2	2	CN1CCC2(CC1)C[N@@H+](CC1CC1)C[C@]21CCNC1=O
214177806	ZINC000278474812	low	4.32	-11.44	0	323.418	2.89	1	5	5	COc1cc(C)cc(NS(=O)(=O)c2cnn(C(C)C)c2)c1C
185090521	ZINC000096080516	ref	7.54	-45.33	1	288.391	1.674	1	2	5	COCCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3C)[C@H]2C1
349533360	ZINC000623669540	high	4.02	-6.46	0	251.374	1.841	2	4	4	Cn1ccnc1CN[C@@]1(CO)CCCC(C)(C)C1
214177809	ZINC000278473622	ref	6.48	-11.34	0	302.378	2.029	1	5	3	Cc1cc(N2CCC[C@@H](NC(=O)c3ccc(C)o3)C2)n(C)n1
214177813	ZINC000278474646	ref	9.07	-55.57	1	318.255	3.473	1	1	5	Fc1ccc(CC[NH2+]C[C@@H]2CCSC2)cc1Br
214177817	ZINC000278474385	ref	7.09	-47.7	1	303.41	1.636	2	3	3	O=C(NCc1cccnn1)N1CCC[N@@H+](C2CCCC2)CC1
185090524	ZINC000096080516	mid	7.44	-44.48	1	288.391	1.674	1	2	5	COCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3C)[C@H]2C1
185090526	ZINC000096080516	mid	5.65	-10.27	0	288.391	1.674	0	3	5	COCCC(=O)N1C[C@H]2CN(Cc3ccccc3C)[C@H]2C1
185090528	ZINC000096080015	ref	4.59	-7.97	0	258.321	1.669	2	2	3	CC(C)CNC(=O)[C@@H]1C[C@@]12C(=O)Nc1ccccc12
342084006	ZINC000625341532	ref	1.99	-11.51	0	263.388	1.209	1	4	7	CCCCN(C)S(=O)(=O)NCc1ccns1
342084007	ZINC000625340730	ref	2.1	-8.86	0	293.429	1.678	1	4	8	CCC[C@@H](CNS(=O)(=O)[C@@H]1COC(C)(C)C1)OCC
185386280	ZINC000096752998	ref	5.4	-12.66	0	306.353	4.005	1	3	2	O=C(NC1CCCCCCC1)c1scnc1C(F)(F)F
342084008	ZINC000625341034	ref	5.04	-40.4	1	257.374	1.585	1	3	8	CCO[C@H](C[NH2+][C@H]1CCOC[C@H]1OCC)C1CC1
342084009	ZINC000625342147	ref	3.36	-5.86	0	263.341	1.948	0	5	4	C1CC(c2nc(CN3CCO[C@@H](C4CC4)C3)no2)C1
342084010	ZINC000625341969	ref	4.15	-9.52	0	299.383	1.964	0	3	5	CC[C@@H](CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1)OC
168365353	ZINC000368505532	ref	5.35	-21.22	0	344.44	3.018	2	4	5	O=C(CCNC(=O)N1CCC[C@@H]1c1nccs1)Nc1ccccc1
342084011	ZINC000625341672	ref	5.89	-15.18	0	296.411	1.709	1	3	6	CCCN(C[C@@H]1CCCCO1)C(=O)[C@@H](C)[C@H]1CCC(=O)N1
342084012	ZINC000625341003	ref	0.54	-7.63	0	287.363	1.739	2	4	7	COc1cncc(C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)n1
343994529	ZINC000599272485	mid	3.56	-11.75	0	255.314	1.587	1	5	7	CCOC(=O)C[C@@H](O)CN(C)[C@@H](C)c1ccco1
282120688	ZINC000449149775	ref	6.84	-53.16	-1	278.352	2.399	1	4	5	Cc1ccncc1C(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]
342084013	ZINC000625341003	high	0.54	-7.63	0	287.363	1.739	2	5	7	COc1cncc(CN[C@@H](CO)[C@H](C)c2ccccc2)n1
282120694	ZINC000449149901	ref	7.98	-85.68	2	295.471	2.001	3	1	8	CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)[NH2+]C2CC2)CC1
168365685	ZINC000306986595	ref	2.69	-110.16	2	156.273	1.254	2	0	3	C[C@@H]([NH3+])[C@@H](C)[NH2+]C1CCCC1
282120697	ZINC000449149901	high	6.93	-43.88	1	295.471	2.001	3	2	8	CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)NC2CC2)CC1
342084014	ZINC000625341179	ref	4.12	-34.92	1	271.401	1.665	2	3	6	C[C@H]1CC[C@](CO)([N@H+](C)CCOC2CCOCC2)C1
282120703	ZINC000449149605	ref	6.27	-56.65	-1	264.325	2.091	1	4	5	CC(C)(C)CC[C@@H](NC(=O)c1ccccn1)C(=O)[O-]
342084015	ZINC000625341179	mid	4.44	-34.5	1	271.401	1.665	2	3	6	C[C@H]1CC[C@](CO)([N@@H+](C)CCOC2CCOCC2)C1
342084016	ZINC000625341673	ref	6.03	-15.28	0	296.411	1.709	1	3	6	CCCN(C[C@@H]1CCCCO1)C(=O)[C@H](C)[C@@H]1CCC(=O)N1
342084017	ZINC000625341196	ref	-0.55	-6.05	0	265.357	1.468	2	4	5	COc1cncc(C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)n1
282120707	ZINC000449149649	ref	3.62	-39.24	1	285.347	2.098	2	3	6	C[C@H]([NH2+]C1CC1)C(=O)NCc1ncoc1-c1ccccc1
365624405	ZINC000576563165	high	0.37	-9.18	0	214.309	0.311	1	3	5	CN1CCC[C@@H](N(C)CCCCO)C1=O
342084018	ZINC000625341196	mid	1.81	-37.46	1	265.357	1.468	2	4	5	COc1cncc(C[N@@H+](C)[C@@]2(CO)CC[C@@H](C)C2)n1
342084019	ZINC000625341196	high	-0.55	-6.05	0	265.357	1.468	1	5	5	COc1cncc(CN(C)[C@@]2(CO)CC[C@@H](C)C2)n1
342084020	ZINC000625340751	ref	8.48	-32.94	1	281.444	1.661	1	2	8	CCN(CC(=O)N(C)CC1CC1)C[C@H]1CCC[N@@H+]1CC
365624415	ZINC000576557266	ref	4.57	-11.33	0	247.342	2.198	2	2	6	C=C(CC)CNC(=O)NCCc1ccc(C)nc1
365624426	ZINC000576560381	ref	7.75	-8.75	0	241.375	3.053	1	2	8	CCO[C@@H](CC)C(=O)N[C@@H](C)CCC=C(C)C
178294295	ZINC000082788877	ref	4.85	-16.59	0	258.14	2.469	0	2	2	C[C@@H](C#N)[S@@](=O)c1ccc(Br)cc1
293079812	ZINC000360184969	ref	8.18	-8.82	0	279.424	3.254	0	2	4	COC[C@H](C)[C@H](C)C(=O)N1CCC[C@@]2(CC=CCC2)C1
342599135	ZINC000590828674	ref	6.08	-12.02	0	277.28	1.908	1	4	2	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H]2C[C@@H]21
342599136	ZINC000616992315	ref	6.09	-39.25	1	278.4	1.51	2	3	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCn2cccn2)C1
342599137	ZINC000616992315	mid	6.13	-39.43	1	278.4	1.51	2	3	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCn2cccn2)C1
342599138	ZINC000590828855	ref	4.35	-12.14	0	257.309	1.449	1	3	5	CCC[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)OC
168365688	ZINC000306986595	mid	2.36	-32.16	1	156.273	1.254	2	1	3	C[C@@H](N)[C@@H](C)[NH2+]C1CCCC1
342599139	ZINC000590829463	ref	8.14	-15.31	0	262.357	1.856	1	3	4	C[C@H](Cn1ccnc1)NC(=O)N1CCC[C@H]1C1CC1
398246937	ZINC000651454070	ref	7.16	-10.99	0	273.38	3.117	1	2	3	C[C@H](c1cccnc1)N(C)C(=O)NC1CC2(CCC2)C1
349533358	ZINC000594966075	ref	4.71	-13.73	0	299.411	2.614	1	2	5	COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)c1
349533361	ZINC000594966075	high	4.71	-13.73	0	299.411	2.614	1	3	5	COc1ccc(F)c(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)c1
342599140	ZINC000590829463	low	8.65	-42.28	1	262.357	1.856	1	2	4	C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C1CC1
214177803	ZINC000293487713	mid	6.52	-41.46	1	360.458	0.807	2	3	3	C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@@H](C)[N@@H+]1C
214177807	ZINC000293487713	mid	6.13	-41.78	1	360.458	0.807	2	3	3	C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC(=O)N(C)C)cc2)C[C@@H](C)[N@H+]1C
342599141	ZINC000616992415	ref	6.34	-42.92	1	275.396	1.861	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2ccncc2)C1
342599142	ZINC000616992415	mid	6.39	-43.32	1	275.396	1.861	2	2	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2ccncc2)C1
178294280	ZINC000237046340	ref	2.84	-53.64	1	371.478	1.468	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1
349533366	ZINC000594965622	ref	6.32	-48.24	1	257.443	2.846	1	1	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1
342599143	ZINC000590829806	ref	5.56	-22.16	0	259.313	1.841	1	4	3	C[C@@H](C1CC1)n1cc(NC(=O)N2CC(C#N)C2)cn1
214177810	ZINC000293482035	ref	0.68	-29.46	0	354.432	0.0	3	4	4	C[C@@H]1CCNC(=O)[C@@H]1NC(=O)N(C)Cc1ccccc1S(N)(=O)=O
365624406	ZINC000336543906	ref	0.59	-17.59	0	264.31	2.169	2	5	3	NC(=O)c1c[nH]c(-c2noc([C@H]3CCSC3)n2)c1
282120689	ZINC000425704466	ref	8.5	-43.32	1	297.349	3.04	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C(F)F)C1
214177815	ZINC000293487405	ref	-0.49	-14.53	0	355.416	0.499	2	6	4	CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)cn1
343994530	ZINC000139327393	ref	3.44	-30.11	1	164.208	1.687	2	1	2	C[C@H]1C[C@H]1c1ccc(C(N)=[NH2+])o1
214177811	ZINC000337604216	high	4.49	-7.08	0	287.473	2.157	2	3	6	CC(C)C[C@H](C)NC(=O)NC[C@@]1(N(C)C)CCSC1
342599144	ZINC000590829460	ref	8.21	-15.69	0	262.357	1.856	1	3	4	C[C@@H](Cn1ccnc1)NC(=O)N1CCC[C@H]1C1CC1
214177814	ZINC000337603852	ref	7.48	-39.36	1	279.428	2.349	3	1	4	C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@@H+]1C
365624413	ZINC000336544060	ref	4.18	-15.45	0	295.364	2.165	1	4	3	C[C@H]1CCN(S(=O)(=O)c2c[nH]cn2)[C@H](c2ccco2)C1
365624421	ZINC000336543791	ref	6.17	-22.26	0	293.326	2.194	1	3	3	CNC(=O)c1cccc(C(=O)N(C)c2ccc(C#N)cc2)c1
214177818	ZINC000337603852	mid	8.15	-40.19	1	279.428	2.349	3	1	4	C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CC[N@H+]1C
214177821	ZINC000337603852	high	5.86	-6.13	0	279.428	2.349	2	2	4	C[C@@H]1C[C@@H](NC(=O)NCC2(C3CC3)CCC2)CCN1C
214177825	ZINC000337604729	ref	6.94	-8.28	0	277.393	3.147	1	5	3	Cc1sc2ncnc(NC[C@@]3(C)CCOC3)c2c1C
365624431	ZINC000336544205	ref	3.49	-7.62	0	280.372	2.392	2	4	3	Cc1noc(CNC(=O)N[C@@H]2CCC(C)(C)C[C@@H]2C)n1
214177828	ZINC000337605854	ref	7.01	-9.58	0	290.411	3.238	2	3	4	CC[C@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N(C)C)nc1
214177832	ZINC000337602681	ref	2.56	-13.78	0	295.339	0.336	2	4	6	CC(=O)CCC(=O)NCCN1C(=O)NC2(CCCC2)C1=O
214177833	ZINC000337602273	ref	5.22	-9.08	0	286.379	2.19	2	5	5	O[C@H]1CCCC[C@@H]1CCCNc1ncnc2ccncc12
282120693	ZINC000328653722	high	3.13	-51.93	-1	315.312	1.317	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3nn[n-]c13)CC2
197598541	ZINC000162878700	ref	2.77	-14.99	0	302.783	1.384	0	4	1	CC1(C)CN(C(=O)c2ccc(Cl)nc2)CCS1(=O)=O
214177838	ZINC000337605028	ref	3.93	-10.69	0	294.317	2.443	2	2	3	O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@H]1CCOC1
214177841	ZINC000337603964	ref	6.66	-11.07	0	290.407	2.147	1	3	5	CCc1ccc([C@H]2CN(C(=O)[C@H](CC)OC)CCN2)cc1
214177843	ZINC000337603964	mid	7.92	-53.65	1	290.407	2.147	1	2	5	CCc1ccc([C@H]2CN(C(=O)[C@H](CC)OC)CC[NH2+]2)cc1
282120698	ZINC000328653722	high	3.2	-51.65	-1	315.312	1.317	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3[n-]nnc13)CC2
342599145	ZINC000590829460	low	8.72	-40.67	1	262.357	1.856	1	2	4	C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC[C@H]1C1CC1
342599146	ZINC000616992801	ref	6.89	-38.32	1	263.385	1.875	2	2	3	Cn1cccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599147	ZINC000616992801	mid	6.81	-37.98	1	263.385	1.875	2	2	3	Cn1cccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599148	ZINC000590829687	ref	6.8	-21.31	0	259.313	1.841	1	4	3	C[C@H](C1CC1)n1nccc1NC(=O)N1CC(C#N)C1
282120700	ZINC000533445797	ref	6.87	-49.38	1	289.383	1.609	1	5	6	Cc1noc(CCC[N@H+]2CC[C@@H](Cc3cnn(C)c3)C2)n1
282120704	ZINC000533445797	mid	6.83	-49.4	1	289.383	1.609	1	5	6	Cc1noc(CCC[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)n1
398246942	ZINC000651453172	ref	8.3	-8.52	0	262.328	3.304	1	1	2	CN(C(=O)NC1CC2(CCC2)C1)c1ccc(F)cc1
365624418	ZINC000623054904	ref	4.75	-31.75	1	321.425	1.668	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cn1
365624429	ZINC000623054305	ref	4.33	-53.48	1	323.393	1.928	2	4	5	COc1cc(NC(=O)N(C)C2CC[NH2+]CC2)cc(OC)c1OC
365624438	ZINC000623054780	ref	3.61	-45.21	1	311.183	1.208	2	3	3	O=C(N[C@@H]1CC[NH2+]C1)c1nc(C2CC2)ncc1Br
178294282	ZINC000237046340	high	2.51	-16.12	0	371.478	1.468	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](NS(=O)(=O)c2cccc(F)c2)C1
365624449	ZINC000623054087	ref	3.25	-51.3	1	305.378	1.967	3	3	4	COc1cc(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc(OC)c1
365624459	ZINC000623054086	ref	3.25	-50.9	1	305.378	1.967	3	3	4	COc1cc(NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc(OC)c1
365624469	ZINC000623055015	ref	3.76	-51.59	1	300.362	1.041	3	3	3	C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[NH2+]C1
282120710	ZINC000533446140	ref	3.82	-16.3	0	291.332	1.645	1	5	4	Cn1cnc2cc(S(=O)(=O)NCc3ccoc3)ccc21
343994531	ZINC000079941242	ref	2.03	-6.64	0	271.386	2.021	2	4	5	COC[C@@H](C)NC(=O)NC(C)(C)c1ncc(C)s1
178294285	ZINC000237049351	ref	9.47	-88.32	2	355.486	1.354	2	3	6	C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1
343994536	ZINC000079927994	ref	7.06	-49.22	1	279.34	2.119	2	4	7	O=[N+]([O-])c1ccc(NCCCC[NH+]2CCOCC2)cc1
398246946	ZINC000651454393	ref	6.08	-11.54	0	288.391	3.427	2	2	3	C[C@H](c1cccc(O)c1)N(C)C(=O)NC1CC2(CCC2)C1
290623165	ZINC000492526129	ref	2.35	-14.11	0	278.352	2.122	2	4	8	CC(C)OCCCCNC(=O)/C=C\c1cncc(O)c1
178294289	ZINC000237049351	mid	9.22	-40.04	1	355.486	1.354	2	4	6	C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1
365624475	ZINC000623055015	mid	2.7	-77.75	0	300.362	1.041	2	3	3	C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[NH2+]C1
365624484	ZINC000623054582	ref	8.0	-44.85	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1
178294294	ZINC000237049351	low	10.02	-176.37	3	355.486	1.354	2	2	6	C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1
398246950	ZINC000649444359	ref	4.07	-11.12	0	202.257	2.099	1	3	2	C=C(C)c1ccc2nc(CO)n(C)c2c1
398246954	ZINC000649444449	ref	2.49	-9.41	0	225.313	1.984	1	2	2	C=C(C)c1ccc(S(N)(=O)=O)c(C)c1C
214177819	ZINC000278474385	mid	7.13	-44.0	1	303.41	1.636	2	3	3	O=C(NCc1cccnn1)N1CCC[N@H+](C2CCCC2)CC1
282120702	ZINC000328653722	high	3.33	-51.95	-1	315.312	1.317	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc(F)cc3n[n-]nc13)CC2
214177829	ZINC000278474364	ref	8.39	-49.35	1	309.417	2.66	2	3	4	Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cccc3cc[nH]c23)C1
214177834	ZINC000278473706	ref	5.94	-6.73	0	311.385	3.275	0	4	2	COc1cncc(C(=O)N2C[C@@H](C(C)(C)C)c3ccccc32)n1
178294293	ZINC000062158695	ref	5.01	-10.44	0	231.299	2.248	2	1	2	Cc1cc2cc(CNC(=O)N(C)C)ccc2[nH]1
178294298	ZINC000353797586	ref	8.56	-37.6	1	242.366	3.755	2	0	3	Cc1cc2cc(C[NH2+]C3CC(C)(C)C3)ccc2[nH]1
214177840	ZINC000278474053	ref	9.48	-9.39	0	300.406	2.956	1	4	7	CC[C@@H](CC(=O)NCc1ncnn1-c1ccccc1)C(C)C
343994532	ZINC000139327393	mid	3.47	-7.73	0	164.208	1.687	2	2	2	C[C@H]1C[C@H]1c1ccc(C(=N)N)o1
214177848	ZINC000278474851	ref	5.14	-9.07	0	316.149	2.751	1	3	4	Cn1ncc(Br)c1CNCc1ccc(F)cc1F
398246959	ZINC000649444544	ref	7.58	-3.7	0	232.323	3.525	0	2	4	C=C(C)c1ccc(OCC2CCOCC2)cc1
178294311	ZINC000045673141	ref	4.98	-5.28	0	211.062	2.634	1	1	0	Cc1cc2cc(Br)cnc2[nH]1
398246962	ZINC000649444442	ref	3.91	-8.11	0	239.34	2.326	1	2	4	C=C(C)c1ccc(S(=O)(=O)NCC)cc1C
398246968	ZINC000649444437	ref	7.28	-6.41	0	200.285	3.012	0	2	1	Cc1cccc(-c2cnn(C)c2C)c1C
398246974	ZINC000649444488	ref	7.06	-5.62	0	218.296	3.278	0	2	4	C=C(C)c1ccc(OC[C@@H]2CCCO2)cc1
178294324	ZINC000049016123	ref	5.22	-25.29	0	216.236	2.376	0	3	0	Cc1cc2c3c(cc(=O)cc-3o1)C[C@@H](C)O2
178294327	ZINC000095643087	ref	5.5	-5.63	0	225.089	2.942	1	1	0	Cc1cc2cc(Br)c(C)nc2[nH]1
178294331	ZINC000020271054	ref	6.97	-6.45	0	226.106	4.158	0	1	0	Cc1cc2cc(C)c(Cl)nc2cc1Cl
398246980	ZINC000649444526	ref	4.17	-10.07	0	246.31	2.157	1	4	5	Cc1c(-c2ccccc2OCCCO)cnn1C
398246985	ZINC000649444372	ref	3.48	-5.49	0	233.218	2.86	1	3	1	Cc1ncc(-c2cc(C(F)(F)F)[nH]n2)s1
398246989	ZINC000649444372	mid	3.47	-6.03	0	233.218	2.86	1	3	1	Cc1ncc(-c2cc(C(F)(F)F)n[nH]2)s1
178294349	ZINC000013535564	ref	7.41	-13.97	0	203.31	3.449	1	1	0	Cc1cc2cc(C)c(=S)[nH]c2cc1C
178294353	ZINC000013535564	high	6.99	-49.26	-1	203.31	3.449	0	1	0	Cc1cc2cc(C)c(=S)[n-]c2cc1C
365624423	ZINC000643087886	ref	6.45	-13.11	0	266.345	1.06	0	6	6	COCc1nnc(N(C)C2CC2)n1C[C@H]1CCOC1
214177820	ZINC000293476826	ref	4.81	-42.79	1	363.414	0.769	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc(C(=O)OC)c1
365624433	ZINC000172839650	ref	6.43	-26.96	0	290.367	1.388	1	4	4	CC/C=C(\C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
365624444	ZINC000172843337	ref	6.1	-26.78	0	292.383	1.468	1	4	4	CCC(C)(C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
365624455	ZINC000172835486	ref	5.15	-13.86	0	298.77	1.702	1	3	6	CC(=O)N(C)CC(=O)NC[C@@H](C)Oc1cccc(Cl)c1
290623166	ZINC000336498942	ref	5.33	-6.35	0	287.363	2.059	1	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cccnc3)C2)C1
290623173	ZINC000376873414	ref	4.24	-10.07	0	278.352	1.078	1	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)C3CC(=O)NC(=O)C3)C2)C1
214177823	ZINC000293476826	mid	4.3	-44.94	1	363.414	0.769	3	5	6	COCc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2C)cc(C(=O)OC)c1
214177826	ZINC000293476826	mid	2.5	-10.29	0	363.414	0.769	2	6	6	COCc1cc(NC(=O)C(=O)NC[C@H]2CCCN2C)cc(C(=O)OC)c1
214177830	ZINC000293487474	ref	0.84	-15.86	0	368.499	0.752	2	5	8	O=S(=O)(CC[C@H]1CCOC1)NC[C@@H](O)CN1CCc2ccccc2C1
214177835	ZINC000293487474	mid	3.02	-53.88	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@H]1CCOC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1
214177837	ZINC000293487474	mid	3.0	-54.33	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@H]1CCOC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1
214177842	ZINC000293482925	ref	3.06	-12.64	0	372.425	0.584	3	7	8	CN(CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@H](O)Cc1ccccc1
214177846	ZINC000293482925	mid	5.36	-40.2	1	372.425	0.584	4	6	8	C[N@@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@H](O)Cc1ccccc1
365624463	ZINC000565303632	ref	4.57	-21.16	0	284.323	1.625	2	5	3	Cc1nn(C)c(C)c1CNC(=O)Nc1cccc(C#N)n1
365624480	ZINC000172843238	ref	7.24	-40.73	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[nH]n1
365624491	ZINC000172843238	mid	7.04	-43.85	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[nH]n1
365624499	ZINC000172843238	mid	7.39	-37.87	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n[nH]1
214177851	ZINC000293482925	mid	5.37	-39.27	1	372.425	0.584	4	6	8	C[N@H+](CC(=O)c1c(N)n(C2CC2)c(=O)[nH]c1=O)C[C@H](O)Cc1ccccc1
365624506	ZINC000172843238	mid	7.23	-39.92	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)n[nH]1
214177836	ZINC000053327342	ref	3.16	-10.05	0	328.796	2.131	2	4	8	CCCOc1c(Cl)cc(C(=O)N[C@@H](C)C(N)=O)cc1OCC
214177839	ZINC000053333966	ref	6.38	-9.7	0	342.233	3.481	0	3	4	COc1cc(C(=O)N(C)C2CCCC2)cc(OC)c1Br
214177845	ZINC000053346598	ref	7.81	-9.73	0	343.766	4.097	1	4	4	CCOc1c(Cl)cccc1NC(=O)c1cc(=O)c2ccccc2o1
214177849	ZINC000053338015	ref	7.9	-11.99	0	349.39	2.859	1	4	7	NC(=O)CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)on1
342599149	ZINC000590829091	ref	3.35	-9.67	0	289.335	1.801	2	4	2	COc1cc(C#N)ccc1NC(=O)N1C[C@@H](O)C[C@@H](C)C1
370645385	ZINC000119106214	mid	7.23	-32.54	1	277.408	3.209	2	2	5	CC(C)Oc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)cc1
365624427	ZINC000274326319	high	1.5	-54.67	-1	295.335	1.013	1	5	4	COc1ccc([O-])c(C(=O)N2CCOC[C@H]2C[C@H](C)O)c1
342599150	ZINC000590829448	ref	7.05	-16.12	0	275.356	1.308	1	4	3	O=C(NCc1nnc2n1CCC2)N1CCC[C@@H]1C1CC1
342599151	ZINC000590829014	ref	1.51	-12.37	0	291.307	1.104	2	5	3	COc1cc(C#N)ccc1NC(=O)NC1COCCOC1
342599152	ZINC000590839701	ref	4.19	-14.56	0	275.414	1.706	0	3	3	C[C@@H](CC(=O)N1CCS(=O)(=O)CC1)CC(C)(C)C
342599153	ZINC000616992869	ref	6.25	-53.32	1	291.395	1.235	2	3	3	Cn1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1=O
365624441	ZINC000274325330	ref	4.25	-9.49	0	296.342	1.873	2	3	5	CC[C@H](C)[C@H](O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C
365624454	ZINC000274325417	ref	7.88	-39.03	1	290.392	1.99	1	4	3	C[C@H](c1ccsc1)N1CCN(C(=O)c2c[nH]cn2)CC1
398246951	ZINC000651453903	ref	7.72	-10.33	0	262.353	3.062	1	2	3	Cc1occc1CN(C)C(=O)NC1CC2(CCC2)C1
349533359	ZINC000621480069	ref	7.59	-11.02	0	286.375	3.023	1	2	3	O=C(Nc1ccc2c(c1)CCOC2)N1CC(CC2CC2)C1
342599154	ZINC000616992869	mid	6.26	-54.0	1	291.395	1.235	2	3	3	Cn1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1=O
365624464	ZINC000274325417	mid	5.43	-10.8	0	290.392	1.99	1	4	3	C[C@H](c1ccsc1)N1CCN(C(=O)c2cnc[nH]2)CC1
365624471	ZINC000274325417	low	7.88	-39.03	1	290.392	1.99	2	3	3	C[C@H](c1ccsc1)[NH+]1CCN(C(=O)c2c[nH]cn2)CC1
365624478	ZINC000274323946	ref	7.48	-38.81	1	275.352	1.813	1	4	3	COC(=O)[C@@H]1CC12CC[NH+]([C@@H](C)c1cnccn1)CC2
214177854	ZINC000053334714	ref	7.11	-12.63	0	335.433	2.145	3	6	8	CCOc1ccccc1[C@H](CC)NC(=O)CSc1nc(N)n[nH]1
365624492	ZINC000274323946	mid	5.34	-9.49	0	275.352	1.813	0	5	3	COC(=O)[C@@H]1CC12CCN([C@@H](C)c1cnccn1)CC2
290623167	ZINC000337314358	ref	0.8	-45.25	-1	348.306	1.296	2	4	4	CNC(=O)c1c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)n[nH]c1C
214177852	ZINC000337602117	ref	4.72	-44.81	1	284.404	0.64	3	2	9	CCN(CC)C(=O)CCCNC(=O)NCC[NH+]1CCC1
214177856	ZINC000337602117	mid	1.53	-13.31	0	284.404	0.64	2	3	9	CCN(CC)C(=O)CCCNC(=O)NCCN1CCC1
398246952	ZINC000390757121	ref	5.62	-5.22	0	239.344	2.1	1	5	3	COc1cc(C)nc(N[C@@H]2CCS[C@H]2C)n1
214177863	ZINC000337603904	ref	2.98	-9.62	0	285.29	2.211	2	3	5	O=C(Cc1ccccc1O)N[C@@H]1CCC[C@H]1OC(F)F
178294296	ZINC000237046804	ref	4.25	-45.66	1	351.878	1.828	2	3	4	CN1CCO[C@H]([C@@H](NC(=O)C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1
214177866	ZINC000337602656	ref	8.46	-13.78	0	276.286	3.103	1	2	4	CCc1cccnc1NC(=O)Cc1c(F)cccc1F
214177870	ZINC000337605326	ref	3.25	-13.98	0	281.352	0.447	2	4	9	CCN(CCOCCO)C(=O)[C@H](O)Cc1ccccc1
214177873	ZINC000337602277	ref	5.35	-8.98	0	286.379	2.19	2	5	5	O[C@H]1CCCC[C@H]1CCCNc1ncnc2ccncc12
342599155	ZINC000616992400	ref	0.17	-42.71	-1	287.283	1.088	2	6	3	CC(C)n1ncc2cc(NC(=O)c3n[nH]c(=O)[n-]3)cnc21
282120705	ZINC000248957368	ref	4.45	-11.54	0	317.433	1.854	2	3	6	CCC[C@@]1(C)C(=O)NCCN1CC(=O)N[C@H](C)c1ccccc1
282120711	ZINC000248957368	low	5.73	-42.71	1	317.433	1.854	3	2	6	CCC[C@@]1(C)C(=O)NCC[N@H+]1CC(=O)N[C@H](C)c1ccccc1
214177884	ZINC000337603751	ref	0.12	-13.45	0	281.312	0.88	3	4	5	CNC(=O)CNC(=O)Nc1cc(OC)cc(OC)c1C
214177887	ZINC000337605325	ref	6.09	-23.27	0	289.441	2.24	0	3	7	CCCS(=O)(=O)CC(=O)N(C)CCC1CCCCC1
214177889	ZINC000337605164	ref	0.15	-26.92	0	281.374	-0.331	1	5	10	CCN(CCOCCO)C(=O)CCCS(C)(=O)=O
214177894	ZINC000337605856	ref	7.01	-9.58	0	290.411	3.238	2	3	4	CC[C@@H]1CCCC[C@H]1NC(=O)Nc1ccc(N(C)C)nc1
214177895	ZINC000337605378	ref	6.56	-39.99	1	285.457	2.056	3	2	6	CCS[C@@H]1CCCC[C@H]1NC(=O)NCC[NH+]1CCC1
214177897	ZINC000337605378	mid	3.37	-9.91	0	285.457	2.056	2	3	6	CCS[C@@H]1CCCC[C@H]1NC(=O)NCCN1CCC1
178294299	ZINC000237046804	low	6.68	-91.61	2	351.878	1.828	3	2	4	C[N@@H+]1CCO[C@H]([C@@H](NC(=O)C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1
214177899	ZINC000337604328	ref	0.87	-47.45	1	286.376	-0.781	4	3	5	CN1CCC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1=O
214177901	ZINC000337604328	high	-1.09	-16.5	0	286.376	-0.781	3	4	5	CN(C)C[C@](C)(O)CNC(=O)N[C@H]1CCCN(C)C1=O
282120714	ZINC000248957368	low	5.93	-42.82	1	317.433	1.854	3	2	6	CCC[C@@]1(C)C(=O)NCC[N@@H+]1CC(=O)N[C@H](C)c1ccccc1
342599156	ZINC000590829961	ref	4.76	-12.0	0	271.336	1.695	1	3	5	CC[C@H](C)[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)OC
365624428	ZINC000639790627	high	1.63	-13.92	0	287.363	1.426	1	5	5	COC[C@@H](O)CN1CC[C@@H](c2ccc3cccnc3n2)C1
365624436	ZINC000354686506	ref	1.8	-13.55	0	270.373	1.359	2	3	5	C[C@H](CO)CCCNC(=O)N1CCC[C@]12CCOC2
365624458	ZINC000354685815	ref	4.49	-45.91	1	281.4	1.036	2	2	5	CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1
290623168	ZINC000492526129	high	3.11	-56.88	-1	278.352	2.122	1	4	8	CC(C)OCCCCNC(=O)/C=C\c1cncc([O-])c1
342599157	ZINC000590829805	ref	5.66	-22.35	0	259.313	1.841	1	4	3	C[C@H](C1CC1)n1cc(NC(=O)N2CC(C#N)C2)cn1
365624470	ZINC000354684942	ref	1.31	-16.19	0	296.371	1.633	2	5	6	Cc1noc([C@@H]2CCCN2C(=O)NCCC[C@H](C)CO)n1
197598555	ZINC000162886675	ref	8.35	-13.31	0	303.406	2.227	1	2	4	CC(C)N(Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1
185090531	ZINC000096081868	ref	9.68	-98.32	2	291.414	2.63	2	1	4	C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccncc3F)C[C@@H]21
185090533	ZINC000096081868	mid	9.82	-101.14	2	291.414	2.63	2	1	4	C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccncc3F)C[C@@H]21
365624481	ZINC000354686474	ref	2.84	-8.25	0	278.308	1.415	2	5	6	C/C=C/C[C@@H](NC(=O)c1cncc(O)c1)C(=O)OCC
365624487	ZINC000354686474	mid	3.6	-44.29	-1	278.308	1.415	1	5	6	C/C=C/C[C@@H](NC(=O)c1cncc([O-])c1)C(=O)OCC
349533363	ZINC000618807384	ref	4.63	-12.51	0	265.704	1.136	0	5	3	CN(Cc1cn(C)nn1)C(=O)c1ncccc1Cl
342599158	ZINC000590829956	ref	4.67	-12.54	0	262.288	1.537	1	3	2	Cc1cc(CNC(=O)N2CC[C@@](F)(C#N)C2)ccn1
365624496	ZINC000354684939	ref	1.29	-16.45	0	296.371	1.633	2	5	6	Cc1noc([C@H]2CCCN2C(=O)NCCC[C@H](C)CO)n1
349533369	ZINC000618806778	ref	4.03	-14.04	0	286.335	1.209	1	5	3	CN(Cc1cn(C)nn1)C(=O)[C@@H]1CCc2cccc(O)c21
365624508	ZINC000354684868	ref	5.47	-9.88	0	278.299	1.671	2	3	7	CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1C[C@H]1C(F)F
365624522	ZINC000354685792	ref	4.64	-10.27	0	277.368	1.945	2	3	6	CCN(C[C@H](C)O)C(=O)N[C@H](c1cccnc1)C1CC1
365624533	ZINC000354685106	ref	3.3	-10.14	0	294.399	1.579	3	4	8	C[C@H](CO)CCCNC(=O)N[C@@H](c1nccn1C)C1CC1
365624542	ZINC000354685106	low	4.43	-36.18	1	294.399	1.579	3	3	8	C[C@H](CO)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1
349533374	ZINC000623669442	ref	3.64	-33.61	1	251.374	1.841	2	3	4	Cn1cc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cn1
365624551	ZINC000639790630	ref	4.42	-47.77	1	287.363	1.426	2	4	5	COC[C@H](O)C[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
365624435	ZINC000576583685	ref	0.18	-57.38	1	249.305	0.475	3	2	5	C[C@H](CCC[NH3+])NC(=O)[C@H]1CCNCC1(F)F
342084021	ZINC000625340751	mid	7.35	-39.26	1	281.444	1.661	1	2	8	CCN(CC(=O)N(C)CC1CC1)C[C@H]1CCC[N@H+]1CC
282120706	ZINC000329675336	ref	2.51	-20.01	0	298.31	0.572	2	7	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cnc3n[nH]nc3c1)CC2
342084022	ZINC000625340751	high	6.49	-7.03	0	281.444	1.661	0	3	8	CCN(CC(=O)N(C)CC1CC1)C[C@H]1CCCN1CC
282120732	ZINC000272335639	ref	8.43	-12.55	0	337.383	1.463	0	5	1	Cc1nc2n(n1)C[C@H](N1C(=O)[C@H]3c4ccccc4CCN3C1=O)CC2
342084023	ZINC000625341005	ref	0.27	-7.66	0	287.363	1.739	2	4	7	COc1cncc(C[NH2+][C@H](CO)[C@H](C)c2ccccc2)n1
432002777	ZINC000103072168	ref	5.48	-21.19	0	302.334	3.233	2	4	3	Cc1nc(-c2c[nH]c(C(=O)Nc3ccc(F)cn3)c2)cs1
349533364	ZINC000621480412	ref	8.7	-9.15	0	289.423	3.26	0	3	2	C[C@H]1CCCC[C@H]1N(C)C(=O)c1cnc2n1CCCCC2
178294304	ZINC000082788885	ref	4.85	-16.63	0	258.14	2.469	0	2	2	C[C@H](C#N)[S@](=O)c1ccc(Br)cc1
365624440	ZINC000576583685	mid	1.52	-115.24	2	249.305	0.475	3	1	5	C[C@H](CCC[NH3+])NC(=O)[C@H]1CC[NH2+]CC1(F)F
342084024	ZINC000625341005	high	0.27	-7.66	0	287.363	1.739	2	5	7	COc1cncc(CN[C@H](CO)[C@H](C)c2ccccc2)n1
214177853	ZINC000278474851	low	6.51	-51.66	1	316.149	2.751	1	2	4	Cn1ncc(Br)c1C[NH2+]Cc1ccc(F)cc1F
190492366	ZINC000269413751	ref	6.04	-8.48	0	276.361	2.489	0	5	5	COC(=O)[C@H](c1cccnc1)N(C)Cc1cccs1
214177857	ZINC000278474236	ref	2.97	-13.25	0	322.296	1.483	3	5	6	CCc1n[nH]c(C(=O)N[C@@H](CO)c2ccc(F)cc2)c1[N+](=O)[O-]
349533367	ZINC000621480322	ref	5.25	-11.2	0	293.31	3.064	1	3	3	C[C@H](NC(=O)c1cscc1C(F)(F)F)[C@@H]1CCCO1
282120768	ZINC000171331518	ref	6.87	-16.63	0	339.424	2.341	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)/C=C/c1nc3ccccc3s1)CC2
282120775	ZINC000330259172	ref	6.83	-42.21	1	289.383	1.485	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CC1)CC2
282120779	ZINC000330259172	mid	6.35	-47.71	1	289.383	1.485	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCC[N@H+]1C1CC1)CC2
342084025	ZINC000625340241	ref	3.39	-43.7	-1	299.392	1.829	0	4	5	COCCC1CCN(S(=O)(=O)c2ccccc2[O-])CC1
214177874	ZINC000278474720	ref	6.71	-11.9	0	304.684	2.062	0	5	5	CN(Cc1ncnn1CC(F)F)C(=O)c1ccc(Cl)o1
365624447	ZINC000576552726	ref	5.49	-9.19	0	237.303	2.176	1	3	4	C[C@@H](NC(=O)N(C)[C@H](C)C1CC1)c1ccon1
365624452	ZINC000576560345	ref	7.0	-9.26	0	221.344	3.132	0	1	1	C[C@H]1C[C@@H](C)N1C(=O)C1=CCC(C)(C)CC1
214177855	ZINC000293477614	ref	2.48	-62.94	-1	353.4	0.623	1	5	5	O=C([N-]OCC1CC1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
342599159	ZINC000590829924	ref	4.21	-12.07	0	289.31	1.843	2	3	4	N#Cc1ccc(CNC(=O)NCC2=CCOCC2)c(F)c1
342599160	ZINC000590829925	ref	4.29	-23.36	0	273.292	1.451	1	4	3	N#CC1CN(C(=O)Nc2ccc(OC3COC3)cc2)C1
214177858	ZINC000293484591	ref	5.37	-15.14	0	354.411	0.419	3	7	5	CC(C)[C@@H](CNC(=O)C(=O)Nc1ncn(C)n1)NC(=O)OC(C)(C)C
365639409	ZINC000354711616	ref	0.9	-7.55	0	269.37	1.054	3	4	6	C/C=C\C[C@H](CO)NC(=O)c1c[nH]c(=NCC)s1
342599161	ZINC000590828707	ref	3.28	-15.03	0	295.295	1.44	2	5	3	Cc1cc([N+](=O)[O-])ccc1NC(=O)NC1COCCOC1
178294301	ZINC000237046804	low	6.25	-91.98	2	351.878	1.828	3	2	4	C[N@H+]1CCO[C@H]([C@@H](NC(=O)C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1
342599162	ZINC000616992314	ref	6.15	-38.97	1	278.4	1.51	2	3	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCn2cccn2)C1
214177862	ZINC000293485830	ref	0.92	-10.32	0	361.398	0.648	3	5	3	C[C@@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
214177865	ZINC000293475687	ref	2.3	-19.2	0	357.432	0.259	2	6	6	COC(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@H]2NS(C)(=O)=O)n1C
197598564	ZINC000290109276	ref	3.06	-8.23	0	298.412	0.968	1	4	5	CN(C)c1cccnc1CNS(=O)(=O)N1CCCCC1
214190525	ZINC000337632549	ref	3.99	-39.26	1	253.415	2.137	1	3	5	CC(C)CCc1nc(CN2CC[NH2+]CC2)cs1
349533368	ZINC000594965623	ref	6.54	-53.71	1	257.443	2.846	1	1	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]CC2CCCCC2)C1
342599163	ZINC000616992314	mid	6.1	-38.49	1	278.4	1.51	2	3	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCn2cccn2)C1
259308837	ZINC000187713738	ref	9.22	-31.5	1	235.371	3.324	1	1	8	CCC[C@@H](C)[N@H+](C)CCOCc1ccccc1
342599164	ZINC000616992417	ref	6.39	-43.03	1	275.396	1.861	2	2	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2ccncc2)C1
178305612	ZINC000019404333	ref	6.56	-49.34	1	243.354	3.096	1	2	1	Cc1cc2ncn([C@H]3CCCC[C@H]3[NH3+])c2cc1C
342599165	ZINC000616992417	mid	6.36	-42.4	1	275.396	1.861	2	2	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2ccncc2)C1
342599166	ZINC000616992720	ref	6.0	-43.9	1	295.427	1.091	2	2	4	CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O
342599167	ZINC000616992720	mid	6.0	-44.25	1	295.427	1.091	2	2	4	CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1=O
342599168	ZINC000590828979	ref	4.78	-18.99	0	256.265	1.554	1	4	2	COc1cc(C#N)ccc1NC(=O)N1CC(C#N)C1
349533372	ZINC000594964974	ref	4.79	-15.72	0	299.411	2.614	1	2	5	COc1ccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1F
178294303	ZINC000237044485	ref	4.98	-76.28	0	353.488	1.91	1	3	7	CC[NH2+]CC1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)CC)CC1
343994533	ZINC000599271381	ref	4.34	-12.6	0	298.408	1.022	1	6	6	CCOC(=O)[C@H]1CSCCN1C[C@@H](O)CC1(C#N)CC1
178294307	ZINC000237042104	ref	9.22	-63.96	-1	356.378	1.826	1	5	5	CC[C@H](NC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1)C(=O)[O-]
178294312	ZINC000237052515	ref	4.23	-55.47	1	357.451	1.794	2	3	6	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(F)c(NC(C)=O)c2)CC1
178294315	ZINC000237047030	ref	4.05	-52.41	1	356.426	1.128	3	4	5	C[NH2+]CC1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CC1
178294318	ZINC000237047030	mid	5.22	-58.74	1	356.426	1.128	3	3	5	C[NH2+]CC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1
295666609	ZINC000412988527	ref	11.56	-11.58	0	317.414	2.933	0	6	6	COC(=O)C1(CSc2nncn2[C@H](C)c2ccccc2)CC1
178294323	ZINC000237047030	high	4.79	-72.91	0	356.426	1.128	2	3	5	C[NH2+]CC1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CC1
365624437	ZINC000336543859	ref	5.26	-12.4	0	293.411	2.107	1	4	3	Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@](C)(O)C(C)C
178294328	ZINC000237055149	ref	2.74	-61.9	1	360.501	1.1	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1
178294332	ZINC000237048475	ref	5.11	-57.9	1	369.412	1.946	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
178294341	ZINC000237048475	high	4.77	-16.67	0	369.412	1.946	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)c2ccccc2OC(F)F)CC1
178294343	ZINC000237049473	ref	9.99	-75.94	-1	358.419	1.858	0	5	4	CN(CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])C(=O)c1cccs1
178294348	ZINC000237055868	ref	5.19	-52.68	-1	363.233	1.564	1	5	7	CN(CC(=O)NCCCC(=O)[O-])C(=O)c1ccc(Br)s1
365624443	ZINC000336544145	ref	8.79	-36.02	1	252.402	2.365	1	1	3	CC[C@H]1C[C@@H](C)CN1C(=O)CC1CC[NH+](C)CC1
398246955	ZINC000651455037	ref	5.34	-8.88	0	264.398	3.08	1	5	5	CCn1ccnc1[C@@H](C)N[C@H](C)c1cnc(C)s1
398246958	ZINC000651455037	low	6.37	-37.78	1	264.398	3.08	1	4	5	CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1cnc(C)s1
365624448	ZINC000336544145	high	6.41	-7.11	0	252.402	2.365	0	2	3	CC[C@H]1C[C@@H](C)CN1C(=O)CC1CCN(C)CC1
365624453	ZINC000336543888	ref	8.25	-14.01	0	292.423	2.139	0	2	3	CC(C)[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)C3CC3)C2)C1
349535987	ZINC000258932404	high	2.67	-46.42	1	248.326	1.427	2	3	4	[NH3+][C@@H]1CCC[C@H]1NCCc1ccc2c(c1)OCO2
214177859	ZINC000053334403	ref	6.28	-11.68	0	337.38	1.218	2	6	4	Nc1n[nH]c(SCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)n1
365624450	ZINC000625040404	ref	5.59	-17.96	0	307.438	2.264	2	2	3	C[C@H]1C[C@@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)CC[C@H]1C
282120708	ZINC000151603848	ref	6.2	-14.71	0	311.345	2.162	1	7	7	COc1cccc(OCCNc2ccc(-n3cnnn3)cc2)c1
342084026	ZINC000625340241	mid	2.53	-9.36	0	299.392	1.829	1	4	5	COCCC1CCN(S(=O)(=O)c2ccccc2O)CC1
214177864	ZINC000053327547	ref	5.94	-14.83	0	348.406	2.451	2	4	5	Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H](C)C(N)=O
214177868	ZINC000053353786	ref	5.31	-17.37	0	325.372	1.817	1	5	3	Cc1cc(CN2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)on1
214177871	ZINC000053351324	ref	6.06	-13.71	0	346.818	2.108	1	4	3	Cn1cc(Cl)cc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1
282120716	ZINC000151589067	ref	5.22	-17.37	0	305.403	2.281	1	5	6	Cc1nc(CCNC(=O)[C@@H](C)Oc2cccnc2)sc1C
214177878	ZINC000053338521	ref	6.16	-14.0	0	336.338	2.839	0	4	5	O=C(c1ccccc1OC(F)F)N1CCN(Cc2ccco2)CC1
214177882	ZINC000053338521	low	8.39	-49.78	1	336.338	2.839	1	3	5	O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2ccco2)CC1
214177886	ZINC000053326752	ref	2.29	-12.03	0	348.14	0.66	2	3	5	C[C@@H](NC(=O)COc1ccc(I)cc1)C(N)=O
342084027	ZINC000625340741	ref	4.47	-39.95	1	270.417	1.633	3	2	5	CC[C@@]1(CO)CCC[N@H+](CC(=O)NCC(C)(C)C)C1
136228639	ZINC000191592503	ref	6.74	-42.8	-1	249.266	2.016	0	4	3	C=CC1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1
185090535	ZINC000096081868	high	7.32	-39.21	1	291.414	2.63	1	2	4	C[NH+](C)C[C@@H]1CCC[C@@H]2CN(Cc3ccncc3F)C[C@@H]21
342084028	ZINC000625340741	mid	4.49	-40.0	1	270.417	1.633	3	2	5	CC[C@@]1(CO)CCC[N@@H+](CC(=O)NCC(C)(C)C)C1
282120720	ZINC000151586721	ref	4.37	-9.34	0	310.81	2.484	1	5	4	Cc1ncc(Cl)c(C(=O)NCCc2nc(C)c(C)s2)n1
185090536	ZINC000096081299	ref	6.73	-14.0	0	289.335	1.208	0	4	3	Cc1oncc1C(=O)N1CC[C@H]2[C@@H]1CC(=O)N2CC1CC1
342084029	ZINC000625340741	mid	2.68	-7.92	0	270.417	1.633	2	3	5	CC[C@@]1(CO)CCCN(CC(=O)NCC(C)(C)C)C1
342084030	ZINC000625341541	ref	3.09	-9.38	0	295.445	1.782	1	4	11	CCC[C@@H](CNS(=O)(=O)C[C@H](OC)C(C)C)OCC
342084031	ZINC000625341539	ref	2.91	-12.44	0	295.445	1.782	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@H](OC)C(C)C)OCC
342084032	ZINC000625340517	ref	3.53	-4.03	0	255.358	1.293	0	4	5	C1CC(OCCN2CCO[C@H](C3CC3)C2)CCO1
365624451	ZINC000479735179	ref	2.14	-11.45	0	270.373	1.071	2	3	4	CO[C@@H]1CCC[C@H]1CNC(=O)N1C[C@@H](C)[C@H](CO)C1
342084033	ZINC000625340517	mid	5.86	-36.24	1	255.358	1.293	1	3	5	C1CC(OCC[N@@H+]2CCO[C@H](C3CC3)C2)CCO1
365624465	ZINC000641591685	ref	4.21	-39.32	1	261.369	1.637	2	3	3	C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(CO)ccn1
365624476	ZINC000641592111	ref	4.86	-15.35	0	262.338	1.316	2	5	2	C[C@@H]1CSC[C@@H]1Nc1ccc2nc[nH]c(=O)c2n1
365624486	ZINC000641591669	ref	4.48	-16.76	0	281.381	1.732	1	5	5	C[C@H](Nc1cc(C2CC2)ncn1)C1(S(C)(=O)=O)CC1
365624493	ZINC000641591669	low	5.13	-39.07	1	281.381	1.732	1	4	5	C[C@H](Nc1cc(C2CC2)[nH+]cn1)C1(S(C)(=O)=O)CC1
342084034	ZINC000625340517	mid	5.41	-35.85	1	255.358	1.293	1	3	5	C1CC(OCC[N@H+]2CCO[C@H](C3CC3)C2)CCO1
365624503	ZINC000641591955	ref	4.05	-24.48	0	298.14	1.758	1	4	3	Cc1cccc(OCc2nc(=O)n(C)[nH]2)c1Br
365624515	ZINC000641591955	mid	3.91	-47.02	-1	298.14	1.758	0	4	3	Cc1cccc(OCc2nc(=O)n(C)[n-]2)c1Br
342084035	ZINC000625340890	ref	6.93	-52.45	1	299.378	1.992	2	4	4	CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3ccncc3C)C2)n1
349533371	ZINC000621483963	ref	4.26	-15.38	0	298.346	3.191	2	4	6	O=C(NCCC1CC1)Nc1ccc(Oc2cccnn2)cc1
342084036	ZINC000625340890	mid	4.94	-12.07	0	299.378	1.992	2	4	4	CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3ccncc3C)C2)n1
342084037	ZINC000625340890	high	4.94	-12.07	0	299.378	1.992	1	5	4	CC(=O)Nc1ccn([C@H]2CCN(Cc3ccncc3C)C2)n1
342084038	ZINC000625341820	ref	-1.81	-7.02	0	273.283	1.077	1	5	4	COc1cncc(CN2CCC(O)(C(F)F)CC2)n1
349533378	ZINC000621482555	ref	4.11	-15.08	0	298.346	3.046	2	4	5	C[C@H]1C[C@H]1CNC(=O)Nc1ccc(Oc2cccnn2)cc1
365624526	ZINC000641591891	ref	3.76	-12.44	0	261.321	1.601	1	3	3	CCOc1cc(C(=O)N2C[C@@H]3C[C@]3(O)C2)ccc1C
365624536	ZINC000641591987	ref	3.86	-10.2	0	273.332	1.068	1	3	1	C[C@]1(C(=O)N2C[C@@H]3C[C@]3(O)C2)OCCc2ccccc21
365624544	ZINC000641592216	ref	4.12	-18.56	0	297.305	1.291	1	4	4	O=C(Cn1nc(C(F)F)cc1C1CC1)N1C[C@H]2C[C@@]2(O)C1
365624553	ZINC000641591832	ref	2.52	-19.06	0	293.273	1.707	2	3	2	O=C(c1ccc2[nH]c(C(F)F)nc2c1)N1C[C@@H]2C[C@]2(O)C1
365624562	ZINC000641591553	ref	4.9	-10.03	0	263.724	1.573	1	2	1	O=C([C@@H]1Cc2ccc(Cl)cc21)N1C[C@H]2C[C@@]2(O)C1
365624570	ZINC000641591688	ref	4.84	-37.06	1	261.369	1.637	2	3	3	C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(CO)ccn1
365624580	ZINC000641592068	ref	5.91	-12.38	0	275.381	1.462	1	6	3	C[C@@H]1CSC[C@H]1Nc1ccc(-c2ccnn2C)nn1
290623169	ZINC000492526644	ref	4.38	-15.01	0	299.305	2.28	2	3	4	Cc1ccc(/C=C\C(=O)Nc2ccc(C(N)=O)cc2F)nc1
342599169	ZINC000616992875	ref	6.13	-40.06	1	268.401	1.792	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCO2)C1
342599170	ZINC000616992875	mid	6.18	-40.42	1	268.401	1.792	2	2	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CCCO2)C1
214177872	ZINC000293485103	ref	4.3	-15.37	0	350.371	0.718	2	6	8	COC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](OC)C2CC2)c1
214177876	ZINC000293485105	ref	4.21	-15.12	0	350.371	0.718	2	6	8	COC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](OC)C2CC2)c1
214177881	ZINC000293485828	ref	1.38	-10.15	0	361.398	0.648	3	5	3	C[C@H]1CCC[C@]1(O)CNC(=O)C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2
168365355	ZINC000368505658	ref	3.91	-9.25	0	329.356	3.005	0	6	4	O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@@]34CCOC4)co2)cc1
168365697	ZINC000043295132	ref	4.89	-42.23	1	199.338	2.708	1	1	3	C[C@@H]([NH3+])[C@@H](OC1CCCC1)C(C)(C)C
214177885	ZINC000293484763	ref	8.99	-45.29	1	356.43	0.843	3	5	5	Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)nn1C
214177888	ZINC000293484763	mid	8.18	-47.08	1	356.43	0.843	3	5	5	Cc1nc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)nn1C
214177890	ZINC000293484763	mid	6.17	-13.54	0	356.43	0.843	2	6	5	Cc1nc(NC(=O)C(=O)NC[C@H]2CCCN2Cc2ccccc2)nn1C
214177892	ZINC000293484777	ref	6.98	-16.91	0	372.473	0.299	1	7	7	C[C@@H](CNC(=O)CCn1ncn(C)c1=O)N1CCN(c2ccccc2)CC1
136228640	ZINC000230483979	ref	8.02	-7.03	0	215.3	3.165	2	2	3	CC1(CNc2nc3ccccc3[nH]2)CCC1
214177898	ZINC000293484777	mid	9.03	-53.92	1	372.473	0.299	2	6	7	C[C@@H](CNC(=O)CCn1ncn(C)c1=O)[NH+]1CCN(c2ccccc2)CC1
365624457	ZINC000625040006	ref	5.26	-13.35	0	315.41	2.103	1	3	8	CO[C@H](Cc1ccc(F)cc1)CS(=O)(=O)NCC1(C)CC1
365624468	ZINC000625040652	ref	5.94	-16.19	0	319.386	2.295	0	5	4	Cc1ncc(S(=O)(=O)N(C)Cc2cc3ccccc3o2)n1C
349533376	ZINC000623669442	high	4.49	-6.01	0	251.374	1.841	2	4	4	Cn1cc(CN[C@]2(CO)CCCC(C)(C)C2)cn1
365624474	ZINC000625040402	ref	6.24	-17.39	0	307.438	2.264	2	2	3	C[C@@H]1CC[C@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)C[C@H]1C
349533379	ZINC000618808802	ref	3.25	-18.07	0	258.368	1.39	1	5	6	CC(=O)CSCC(=O)NCc1csc(C)n1
349533384	ZINC000618807840	ref	5.62	-49.38	1	285.391	1.856	1	3	5	COCCN1CC[C@H]([NH2+][C@H]2CCc3cc(C#N)ccc32)C1
136228641	ZINC000230483979	mid	8.5	-25.79	1	215.3	3.165	2	1	3	CC1(CNc2[nH]c3ccccc3[nH+]2)CCC1
365624460	ZINC000336543521	ref	6.9	-8.94	0	251.37	2.452	0	2	1	CC1(C)CCCCN(C(=O)[C@@H]2C[C@@]23CCOC3)C1
365624466	ZINC000336543608	ref	5.11	-7.75	0	294.326	2.237	1	3	1	C[C@@H]1OCC[C@@]12CN(C(=O)Nc1ccccc1F)CCO2
365624472	ZINC000336544270	ref	7.54	-39.96	1	267.417	2.158	2	1	3	CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(C)C)C2)CC1
365624479	ZINC000336544270	high	5.15	-8.18	0	267.417	2.158	1	2	3	CCN1CCC(NC(=O)N2CC[C@@H](C(C)C)C2)CC1
365624488	ZINC000336543785	ref	7.2	-12.41	0	293.388	2.312	0	4	3	CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CCCS1
282120709	ZINC000192704464	ref	6.96	-49.16	1	337.464	2.287	2	4	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)OC
282120723	ZINC000192704464	high	6.01	-14.44	0	337.464	2.287	2	5	8	CCC(CC)(CN[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)OC
282120729	ZINC000192702795	ref	9.06	-43.73	1	334.46	3.199	2	3	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1c(C)cccc1C)C(=O)OC
365624500	ZINC000336543833	ref	4.55	-14.47	0	265.7	2.021	0	4	3	CN(C)C(=O)Cc1nc(-c2ccc(Cl)cc2)no1
365624513	ZINC000336544144	ref	8.73	-35.95	1	252.402	2.365	1	1	3	CC[C@H]1C[C@H](C)CN1C(=O)CC1CC[NH+](C)CC1
365624519	ZINC000336544144	high	6.35	-7.06	0	252.402	2.365	0	2	3	CC[C@H]1C[C@H](C)CN1C(=O)CC1CCN(C)CC1
365624524	ZINC000336544143	ref	8.79	-35.83	1	252.402	2.365	1	1	3	CC[C@@H]1C[C@H](C)CN1C(=O)CC1CC[NH+](C)CC1
136228642	ZINC000283269264	ref	4.42	-8.52	0	209.289	1.329	1	2	2	CC#CC(=O)N[C@H]1CCO[C@@H](C(C)C)C1
136228643	ZINC000191595397	ref	0.24	-7.2	0	205.208	2.465	1	4	3	CC(C)(C)CNc1nnc(C(F)F)o1
342084039	ZINC000625341820	low	1.3	-44.78	1	273.283	1.077	2	4	4	COc1cncc(C[NH+]2CCC(O)(C(F)F)CC2)n1
136228644	ZINC000230482713	ref	3.35	-16.99	0	219.248	0.314	2	5	1	C[C@]1(O)CCN(c2ncnc3nc[nH]c23)C1
342084040	ZINC000625341538	ref	2.68	-12.47	0	295.445	1.782	1	4	11	CCC[C@H](CNS(=O)(=O)C[C@@H](OC)C(C)C)OCC
342084041	ZINC000608891458	ref	6.27	-45.19	1	288.457	1.745	2	3	8	COCCC[NH+]1CCC(NC(=O)CSC(C)C)CC1
342084042	ZINC000608891458	high	3.89	-9.93	0	288.457	1.745	1	4	8	COCCCN1CCC(NC(=O)CSC(C)C)CC1
342084043	ZINC000625341364	ref	2.67	-7.69	0	270.345	1.454	1	2	4	CCCNS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342088557	ZINC000121472287	ref	6.72	-14.88	0	279.384	1.674	1	4	6	CCC[C@@H]1C[C@H](C(=O)NCCc2cncn2C)CCO1
342088558	ZINC000121472287	low	7.23	-39.98	1	279.384	1.674	1	3	6	CCC[C@@H]1C[C@H](C(=O)NCCc2c[nH+]cn2C)CCO1
349535992	ZINC000258973032	ref	8.36	-61.91	0	221.3	2.615	1	2	3	C[N@H+](Cc1cccc(C(=O)[O-])c1)C(C)(C)C
197598575	ZINC000162891204	ref	5.48	-59.89	-1	300.399	2.134	2	4	5	C[C@@H]1CCCC[C@]1(NC(=O)NCCOC(C)(C)C)C(=O)[O-]
365624462	ZINC000343762064	ref	-1.21	-8.78	0	234.321	-0.649	0	4	2	CCS(=O)(=O)N1C[C@@H]2OCCN(C)[C@@H]2C1
365624477	ZINC000576562065	ref	5.87	-7.88	0	213.346	2.044	1	2	4	CSC1(CNC(=O)C2CC(C)C2)CC1
365624490	ZINC000175925082	ref	1.89	-11.82	0	249.295	1.866	1	5	3	CSc1nc(-c2ccco2)nc(C)c1C(N)=O
197598582	ZINC000162882231	ref	8.09	-16.56	0	312.373	1.581	0	5	5	C[C@@H](C1CC1)N(C(=O)Cn1cnc2cnccc2c1=O)C1CC1
197598585	ZINC000162884132	ref	6.2	-48.29	-1	313.408	2.037	0	9	4	Cc1nnsc1-c1nnc(SCC(=O)[O-])n1C(C)(C)C
365624514	ZINC000343742425	ref	7.15	-9.08	0	243.347	2.08	0	3	5	CCN(CCC(=O)OC)C(=O)[C@H](C)C(C)(C)C
214177883	ZINC000278474754	ref	4.67	-16.44	0	311.798	1.662	1	5	2	N#Cc1sc(N2CCC(N3CCNC3=O)CC2)nc1Cl
365624538	ZINC000576563182	ref	2.53	-7.34	0	226.32	1.365	2	2	3	CC(C)C(C)(C)NC(=O)N[C@@H]1[C@H]2COC[C@H]21
222609232	ZINC000170629016	ref	12.33	-44.39	1	366.505	3.97	2	2	7	CCc1ccc(OCC(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)cc1
365624547	ZINC000576563319	ref	2.8	-9.63	0	238.316	1.848	2	4	2	O=C(Nc1cnns1)N[C@@H]1CCC[C@@H]2C[C@@H]21
197598592	ZINC000162878901	ref	5.24	-53.91	1	308.426	1.671	2	4	5	C[C@@H]([NH2+]CC(=O)Nc1cc(C(C)(C)C)nn1C)[C@@H]1CCOC1
197598594	ZINC000162878901	high	4.09	-12.98	0	308.426	1.671	2	5	5	C[C@@H](NCC(=O)Nc1cc(C(C)(C)C)nn1C)[C@@H]1CCOC1
342084044	ZINC000608899768	ref	5.05	-48.5	1	262.338	1.957	1	4	4	CS[C@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
342084045	ZINC000608899768	mid	4.59	-15.48	0	262.338	1.957	1	5	4	CS[C@H](C)C(=O)Nc1cnn(-c2ccncc2)c1
342084046	ZINC000625346270	ref	4.84	-8.4	0	296.383	1.939	0	2	2	C[C@@H]1CCCN1S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084047	ZINC000625346272	ref	7.26	-9.22	0	257.333	1.82	0	2	2	CN(C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)[C@H]1CCOC1
342084048	ZINC000625346230	ref	4.38	-8.55	0	282.356	1.548	0	2	3	C[C@@H]1CN(S(=O)(=O)N(C)C2CC2)C[C@@H](C)C1(F)F
342084049	ZINC000625345495	ref	4.76	-13.21	0	293.339	1.332	0	4	2	C[C@@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H](C)C1(F)F
342084050	ZINC000625345548	ref	3.41	-11.43	0	293.339	1.332	0	4	2	C[C@@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@@H](C)C1(F)F
342084051	ZINC000625345756	ref	5.02	-8.36	0	262.3	1.662	0	2	0	C[C@H]1CN(C(=O)N2CCOCC2)C[C@H](C)C1(F)F
342084052	ZINC000625345518	ref	3.11	-32.07	1	251.33	1.684	1	5	4	CC[C@]1(O)CCN(Cc2noc(C3CCC3)n2)C1
342084053	ZINC000625345518	low	3.11	-31.72	1	251.33	1.684	2	4	4	CC[C@]1(O)CC[N@H+](Cc2noc(C3CCC3)n2)C1
214177891	ZINC000053354111	ref	7.07	-13.97	0	343.427	2.269	0	5	6	COc1ccccc1CCC(=O)N1CCN(Cc2cc(C)no2)CC1
342084054	ZINC000625345518	low	3.11	-32.07	1	251.33	1.684	2	4	4	CC[C@]1(O)CC[N@@H+](Cc2noc(C3CCC3)n2)C1
168365356	ZINC000368505658	mid	6.2	-42.49	1	329.356	3.005	1	5	4	O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@]34CCOC4)co2)cc1
282120712	ZINC000113364401	ref	8.43	-45.79	1	308.451	2.437	2	3	3	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2nc3c(s2)CCCC3)C1
168365699	ZINC000042490176	ref	3.2	-91.12	2	197.326	0.502	2	1	3	C[C@@H]([NH3+])[C@@H](C)N1CC[NH+](C2CC2)CC1
342084055	ZINC000625345789	ref	3.87	-15.28	0	260.284	1.157	1	2	5	C[C@@H](C(=O)N(CC(F)F)C1CC1)[C@H]1CCC(=O)N1
349535996	ZINC000258973032	mid	8.37	-61.11	0	221.3	2.615	1	2	3	C[N@@H+](Cc1cccc(C(=O)[O-])c1)C(C)(C)C
343994537	ZINC000139311157	ref	8.1	-5.62	0	188.27	3.158	0	1	1	CCc1ccc2c(c1)CCCCC2=O
365624482	ZINC000122136664	ref	4.77	-7.42	0	285.391	2.391	2	3	4	O=C1CN(c2ccc(NC[C@@H]3CC=CCC3)cc2)CCN1
365624494	ZINC000122136664	mid	5.3	-48.16	1	285.391	2.391	2	2	4	O=C1CN(c2ccc([NH2+]C[C@@H]3CC=CCC3)cc2)CCN1
342084056	ZINC000625346368	ref	2.53	-7.75	0	270.345	1.452	1	2	3	CC(C)NS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084057	ZINC000625346309	ref	5.89	-41.93	1	266.389	1.375	2	4	5	Cn1cc(CC[N@H+](C)CC2(O)CCCCCC2)nn1
342084058	ZINC000625346309	mid	5.91	-42.71	1	266.389	1.375	2	4	5	Cn1cc(CC[N@@H+](C)CC2(O)CCCCCC2)nn1
365624507	ZINC000122113514	ref	8.86	-29.53	1	252.402	2.365	1	1	5	CC[N@@H+]1CC[C@H](N(C)C(=O)CCC2CC2)[C@H](C)C1
342084059	ZINC000625345494	ref	4.73	-13.57	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@H](C)C1(F)F
342084060	ZINC000608899529	ref	4.67	-18.97	0	253.352	1.999	1	5	5	CSc1ccc(NC(=O)CSCC#N)cn1
342084061	ZINC000625346268	ref	4.85	-8.41	0	296.383	1.939	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)C[C@H](C)C1(F)F
342084062	ZINC000625345786	ref	3.95	-15.9	0	260.284	1.157	1	2	5	C[C@H](C(=O)N(CC(F)F)C1CC1)[C@@H]1CCC(=O)N1
342084063	ZINC000625346369	ref	2.32	-8.6	0	270.345	1.452	1	2	3	CC(C)NS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342084064	ZINC000625341921	ref	2.24	-13.88	0	292.368	1.14	1	7	4	CC(=O)Nc1ccn([C@H]2CCN(Cc3cnns3)C2)n1
342084065	ZINC000625341921	low	4.75	-58.01	1	292.368	1.14	2	6	4	CC(=O)Nc1ccn([C@H]2CC[N@H+](Cc3cnns3)C2)n1
342084066	ZINC000625341921	low	4.69	-57.43	1	292.368	1.14	2	6	4	CC(=O)Nc1ccn([C@H]2CC[N@@H+](Cc3cnns3)C2)n1
342599171	ZINC000590828677	ref	5.05	-19.47	0	276.252	1.591	1	5	3	COc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C#N)C1
342599172	ZINC000616992330	ref	4.53	-40.84	1	294.399	1.547	2	4	5	Cc1noc(CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1
214177893	ZINC000053354004	ref	6.31	-10.69	0	325.368	2.687	0	5	3	Cc1cc(CN2CCN(C(=O)c3cc4ccccc4o3)CC2)on1
342599173	ZINC000616992330	mid	4.47	-40.48	1	294.399	1.547	2	4	5	Cc1noc(CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1
365624483	ZINC000625041157	ref	2.97	-11.19	0	307.362	2.367	1	3	6	COCCC(C)(C)NS(=O)(=O)c1ccc(C)c(F)c1F
214177896	ZINC000053351638	ref	4.05	-14.31	0	345.428	1.53	1	6	4	CCc1nnsc1C(=O)NC1CCN(C(=O)c2ccncc2)CC1
349533377	ZINC000594964974	high	4.79	-15.72	0	299.411	2.614	1	3	5	COc1ccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)cc1F
342599174	ZINC000590829280	ref	6.77	-43.89	1	250.264	1.493	1	1	1	C[N@@H+]1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1
214177900	ZINC000053348366	ref	3.46	-13.7	0	341.367	2.521	1	6	6	COc1ccc(OC)c(CCNC(=O)c2cnc3onc(C)c3c2)c1
214177904	ZINC000053324271	ref	6.0	-13.65	0	330.409	3.273	2	4	6	COC(=O)Nc1ccc(CNC(=O)CSc2ccccc2)cc1
214177909	ZINC000053339325	ref	8.96	-13.22	0	327.428	2.897	1	4	7	O=C(COC1CCCCC1)NCc1cnn(Cc2ccccc2)c1
342599175	ZINC000590829280	mid	6.79	-40.49	1	250.264	1.493	1	1	1	C[N@H+]1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1
214177913	ZINC000053328025	ref	6.63	-15.7	0	332.4	2.194	1	4	4	CC(=O)Nc1ccccc1OCC(=O)N1CCO[C@@H]2CCCC[C@@H]21
214177916	ZINC000053328144	ref	5.99	-18.53	0	339.164	2.217	1	3	3	Cn1ccc(C(=O)NCc2ccc(F)cc2Br)cc1=O
214177920	ZINC000053329447	ref	2.91	-8.97	0	333.157	1.95	2	3	5	CCOC(=O)NCC(=O)NCc1ccc(F)cc1Br
342599176	ZINC000590829280	mid	4.6	-8.32	0	250.264	1.493	0	2	1	CN1CCCN(C(=O)C2(C(F)(F)F)CC2)CC1
214177923	ZINC000053350596	ref	6.87	-16.7	0	341.386	2.184	1	3	4	O=C(Cc1ccc(F)cc1)NC1CCN(C(=O)c2ccncc2)CC1
342599177	ZINC000590829926	ref	5.03	-19.69	0	289.291	1.469	1	5	3	COC(=O)c1ccc(NC(=O)N2CC(C#N)C2)c(OC)c1
214177927	ZINC000053334717	ref	6.39	-11.34	0	335.433	2.145	3	6	8	CCOc1ccccc1[C@@H](CC)NC(=O)CSc1nc(N)n[nH]1
342599178	ZINC000616992873	ref	5.99	-39.84	1	268.401	1.792	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCO2)C1
349536001	ZINC000258946254	ref	8.78	-41.11	1	208.349	3.048	1	1	4	C[N@H+](CC1CCCCC1)CC(C)(C)C#N
133427977	ZINC000306443633	ref	2.26	-19.1	0	171.175	0.263	1	2	2	N#CCCNC(=O)N1CC(F)C1
398246957	ZINC000650437774	ref	5.48	-12.33	0	245.269	2.98	1	2	4	Cc1oc(C)c(C(=O)NCCC(C)(F)F)c1C
178294350	ZINC000082788691	ref	3.51	-6.76	0	272.529	3.665	1	2	0	Cc1cc(Br)c2c(Cl)ccc(O)c2n1
365624485	ZINC000617388857	ref	1.64	-16.88	0	269.345	0.461	2	3	4	C[C@H](CC(=O)N1CCO[C@@](C)(C2CC2)C1)NC(N)=O
365624497	ZINC000617390481	ref	3.31	-10.88	0	282.384	0.733	0	4	3	CO[C@H]1C[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)N(C)C1
178294352	ZINC000082788691	high	4.28	-43.45	-1	272.529	3.665	0	2	0	Cc1cc(Br)c2c(Cl)ccc([O-])c2n1
342084067	ZINC000625346232	ref	5.67	-5.53	0	268.401	1.602	0	3	7	CCO[C@@H](CN1CCN(CC(C)C)C(=O)C1)C1CC1
365624505	ZINC000617390481	mid	5.42	-37.49	1	282.384	0.733	1	3	3	CO[C@H]1C[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)[N@H+](C)C1
365624516	ZINC000617390481	mid	5.15	-41.23	1	282.384	0.733	1	3	3	CO[C@H]1C[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)[N@@H+](C)C1
190597627	ZINC000270097372	ref	0.92	-10.97	0	275.312	2.086	3	4	5	CCOc1ncccc1NC(=O)N[C@H](C)c1cn[nH]c1
398246966	ZINC000650437180	ref	0.01	-13.15	0	241.266	1.005	3	3	4	CN(C)c1cc(F)cc(NC(=O)NCCO)c1
342084068	ZINC000625346232	mid	8.1	-44.06	1	268.401	1.602	1	2	7	CCO[C@@H](C[N@@H+]1CCN(CC(C)C)C(=O)C1)C1CC1
282120713	ZINC000449149649	high	2.48	-9.92	0	285.347	2.098	2	4	6	C[C@H](NC1CC1)C(=O)NCc1ncoc1-c1ccccc1
398246972	ZINC000390747026	ref	3.03	-59.61	1	218.247	0.9	2	1	2	O=C(NC1CCC1)[C@@H]1C[NH2+]CCC1(F)F
214177902	ZINC000293484790	ref	6.99	-17.09	0	372.473	0.299	1	7	7	C[C@H](CNC(=O)CCn1ncn(C)c1=O)N1CCN(c2ccccc2)CC1
342084069	ZINC000625346232	mid	8.19	-43.88	1	268.401	1.602	1	2	7	CCO[C@@H](C[N@H+]1CCN(CC(C)C)C(=O)C1)C1CC1
398246978	ZINC000390747026	high	1.68	-10.99	0	218.247	0.9	2	2	2	O=C(NC1CCC1)[C@@H]1CNCCC1(F)F
282120721	ZINC000449149919	ref	5.37	-57.0	1	294.37	2.101	2	2	6	C[C@@H]1C[C@H]([NH2+]CCCNC(=O)c2cccc(F)c2)[C@@H](C)O1
342084070	ZINC000625346306	ref	4.67	-7.16	0	284.372	1.796	0	2	4	CCCN(C)S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084071	ZINC000625345551	ref	5.06	-8.83	0	292.351	1.937	0	3	2	C[C@@H]1CN(S(=O)(=O)c2cccn2C)C[C@@H](C)C1(F)F
342084072	ZINC000625346418	ref	-0.09	-7.38	0	281.356	1.301	1	6	6	CCO[C@@H](CN1C[C@H](O)C[C@@H]1c1nc(C)no1)C1CC1
214177906	ZINC000293484790	mid	9.0	-53.39	1	372.473	0.299	2	6	7	C[C@H](CNC(=O)CCn1ncn(C)c1=O)[NH+]1CCN(c2ccccc2)CC1
342084073	ZINC000625346418	mid	3.4	-38.77	1	281.356	1.301	2	5	6	CCO[C@@H](C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084074	ZINC000625346418	mid	3.13	-36.27	1	281.356	1.301	2	5	6	CCO[C@@H](C[N@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342599179	ZINC000616992873	mid	6.06	-40.41	1	268.401	1.792	2	2	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CCCO2)C1
342599180	ZINC000590829092	ref	3.49	-11.35	0	289.335	1.801	2	4	2	COc1cc(C#N)ccc1NC(=O)N1C[C@H](C)C[C@@H](O)C1
365624489	ZINC000625041157	high	3.08	-44.65	-1	307.362	2.367	0	3	6	COCCC(C)(C)[N-]S(=O)(=O)c1ccc(C)c(F)c1F
365624498	ZINC000625038479	ref	6.18	-8.26	0	318.461	2.401	1	3	6	Cc1ccccc1C[C@H](C)C(=O)NCCN1CCOC(C)(C)C1
342599181	ZINC000616992161	ref	6.16	-40.51	1	256.39	1.648	2	2	5	CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599182	ZINC000616992161	mid	6.17	-41.22	1	256.39	1.648	2	2	5	CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599183	ZINC000590829688	ref	6.71	-21.53	0	259.313	1.841	1	4	3	C[C@@H](C1CC1)n1nccc1NC(=O)N1CC(C#N)C1
300271630	ZINC000366075378	ref	2.84	-6.88	0	252.314	1.445	0	5	2	C[C@H]1CN(Cc2ccon2)CC2(CCOCC2)O1
365624502	ZINC000625038479	low	8.14	-43.7	1	318.461	2.401	2	2	6	Cc1ccccc1C[C@H](C)C(=O)NCC[N@@H+]1CCOC(C)(C)C1
365624511	ZINC000625038479	low	8.14	-43.65	1	318.461	2.401	2	2	6	Cc1ccccc1C[C@H](C)C(=O)NCC[N@H+]1CCOC(C)(C)C1
365624518	ZINC000625040618	ref	6.61	-14.34	0	300.402	2.226	1	2	3	Cc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)C1
365624525	ZINC000625041732	ref	5.61	-14.08	0	306.41	2.099	1	4	2	CCn1ncc2c1CCC[C@@H]2NC(=O)N1C[C@H](C)O[C@H](C)C1
178294351	ZINC000237046734	ref	6.17	-54.25	-1	359.176	1.047	0	5	4	CN(CC(=O)N1CC[C@@H](C(=O)[O-])C1)C(=O)c1ccc(Br)o1
214177903	ZINC000337604932	ref	4.83	-10.36	0	265.353	3.055	2	3	5	CCCOCC(=O)Nc1ccc(C(C)(C)C)cc1O
214177905	ZINC000337604932	high	5.58	-46.67	-1	265.353	3.055	1	3	5	CCCOCC(=O)Nc1ccc(C(C)(C)C)cc1[O-]
168365703	ZINC000042490176	mid	0.81	-39.02	1	197.326	0.502	1	2	3	C[C@@H]([NH3+])[C@@H](C)N1CCN(C2CC2)CC1
214177907	ZINC000337602707	ref	4.35	-8.79	0	278.278	2.266	2	3	6	CCCC[C@H](C)C(=O)NCc1nc(C(F)(F)F)n[nH]1
342599184	ZINC000616992165	ref	6.16	-41.59	1	256.39	1.648	2	2	5	CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214177910	ZINC000337602707	high	4.3	-32.95	-1	278.278	2.266	1	3	6	CCCC[C@H](C)C(=O)NCc1nnc(C(F)(F)F)[n-]1
214177911	ZINC000337602707	high	4.19	-33.22	-1	278.278	2.266	1	3	6	CCCC[C@H](C)C(=O)NCc1n[n-]c(C(F)(F)F)n1
342599185	ZINC000616992165	mid	6.1	-41.02	1	256.39	1.648	2	2	5	CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214177914	ZINC000337602707	high	4.21	-33.27	-1	278.278	2.266	1	3	6	CCCC[C@H](C)C(=O)NCc1nc(C(F)(F)F)n[n-]1
365624531	ZINC000625040853	ref	5.36	-7.6	0	319.327	2.393	1	4	5	COCC[C@H](C)NC(=O)c1nc(C(F)(F)F)n2c1CCCC2
214177908	ZINC000293476534	ref	1.6	-19.6	0	367.881	0.897	3	4	7	CNC(=O)NCCC(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
214177912	ZINC000293476534	mid	3.98	-61.12	1	367.881	0.897	4	3	7	CNC(=O)NCCC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1
178294355	ZINC000237049851	ref	4.06	-11.4	0	353.422	1.854	3	4	6	CCOc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3CN2)cc1
185090539	ZINC000096081122	ref	4.73	-14.9	0	258.321	1.406	1	2	1	Cc1ccc(C(=O)N2CC[C@@H]3NC(=O)C[C@@H]32)cc1C
214177915	ZINC000293477903	ref	0.56	-14.82	0	354.354	0.857	1	5	4	CN(C1(C(N)=O)CCCC1)S(=O)(=O)c1cn(C)nc1C(F)(F)F
214177918	ZINC000293475680	ref	2.52	-19.74	0	357.432	0.259	2	6	6	COC(=O)c1ccc(C(=O)NC[C@@H]2CCC[C@@H]2NS(C)(=O)=O)n1C
178294361	ZINC000237049851	mid	5.44	-45.16	1	353.422	1.854	3	3	6	CCOc1ccc(NC(=O)CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1
214177922	ZINC000293482694	ref	4.91	-16.77	0	370.409	0.582	1	4	2	CN1C(=O)N[C@]2(CCN(C(=O)[C@@H]3CCCN(c4ccccc4)C3=O)C2)C1=O
178294365	ZINC000237047302	ref	6.83	-52.17	1	351.878	1.927	1	2	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
214177926	ZINC000293487340	ref	1.68	-18.89	0	372.512	0.985	0	6	7	COC[C@H]1CCN1CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1
214177930	ZINC000293477321	ref	3.01	-16.58	0	350.394	0.588	2	5	4	C[C@@H]1CC(=O)N[C@H](C(=O)NCc2cnc(N3CCOCC3)c(F)c2)C1
178294370	ZINC000237047302	high	6.52	-11.33	0	351.878	1.927	1	3	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)CC1
185090541	ZINC000096081587	ref	3.63	-17.63	0	287.319	0.319	0	4	3	C=CCN1C(=O)CO[C@@H]2CN(C(=O)c3cccnc3)C[C@@H]21
214177934	ZINC000293487281	ref	2.26	-21.62	0	372.512	0.985	0	6	7	COC[C@@H]1CCN1CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1
178294373	ZINC000237055734	ref	6.36	-53.71	1	356.47	1.755	2	2	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
290623171	ZINC000281960029	ref	1.8	-15.17	0	323.397	0.957	4	4	5	CNC(=O)c1c(NC(=O)[C@H](C)NC(=O)CC(C)(C)C)n[nH]c1C
178294376	ZINC000237055734	high	6.06	-13.89	0	356.47	1.755	2	3	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1
178294378	ZINC000237055043	ref	7.13	-51.82	1	359.47	1.673	1	3	5	C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1
178305614	ZINC000019404333	low	7.04	-100.2	2	243.354	3.096	1	1	1	Cc1cc2[nH+]cn([C@H]3CCCC[C@H]3[NH3+])c2cc1C
342599186	ZINC000616992719	ref	6.01	-44.58	1	295.427	1.091	2	2	4	CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O
197598604	ZINC000162895757	ref	5.13	-39.51	1	316.405	2.128	2	4	8	CCCC[C@H](C[NH3+])NC(=O)c1ccn(-c2ccc(OC)cc2)n1
190492377	ZINC000269413297	ref	-3.56	-14.98	0	268.269	-0.068	4	5	4	O=C(NC[C@H](O)CO)Nc1ccc2c(c1)OCCO2
190492378	ZINC000269407991	ref	2.92	-15.93	0	274.324	2.441	2	4	5	Cc1nc(NC(=O)NCCCc2ccccn2)oc1C
342599187	ZINC000616992719	mid	5.95	-44.38	1	295.427	1.091	2	2	4	CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O
295666610	ZINC000354040074	ref	4.61	-7.01	0	338.473	1.462	2	4	3	O=C(NC[C@@H]1CCCS1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2
295666613	ZINC000417867914	ref	6.54	-41.09	1	297.468	1.913	2	2	3	O=C(NC[C@@H]1CCCS1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1
349533381	ZINC000594965072	ref	4.12	-13.64	0	299.411	2.614	1	2	5	COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c(F)c1
349533383	ZINC000594965072	high	4.12	-13.64	0	299.411	2.614	1	3	5	COc1ccc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c(F)c1
295666616	ZINC000126908579	ref	9.11	-39.72	1	311.495	2.542	2	2	3	O=C(NC[C@@H]1CCCS1)N1CCCC[C@H]([NH+]2CCCC2)C1
349533386	ZINC000594966358	ref	5.91	-4.99	0	293.358	2.838	1	3	8	C=CCCSCC[NH2+]Cc1c(C(F)(F)F)cnn1C
342599188	ZINC000590829763	ref	6.56	-21.1	0	261.329	1.916	1	4	4	CC(C)CCn1nccc1NC(=O)N1CC(C#N)C1
398246960	ZINC000651455071	ref	6.91	-10.95	0	272.396	3.327	1	4	5	CCn1ccnc1[C@@H](C)N[C@@H](C)c1ccc(C)nc1C
398246963	ZINC000651455071	mid	7.42	-36.91	1	272.396	3.327	1	3	5	CCn1ccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C
197598611	ZINC000162894364	ref	4.02	-14.03	0	301.346	1.89	1	5	3	Cc1onc(-c2ccncc2)c1C(=O)N1CCC[C@@H](CO)C1
349533390	ZINC000594966358	high	5.91	-4.99	0	293.358	2.838	1	4	8	C=CCCSCCNCc1c(C(F)(F)F)cnn1C
365624495	ZINC000623054783	ref	5.35	-49.67	1	319.796	1.603	2	4	5	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@@H]([NH3+])C1CC1
365624504	ZINC000623054671	ref	4.03	-48.38	1	300.362	1.265	2	3	2	C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[nH]1
282120715	ZINC000533450966	ref	0.3	-9.57	0	284.381	1.394	2	5	5	CC(C)c1ncc(C(=O)NC[C@@H](O)[C@@H]2CCOC2)s1
282120718	ZINC000533451563	ref	2.68	-17.46	0	295.339	1.775	3	5	7	CNc1ccc(C(=O)NCC(C)(C)CCO)cc1[N+](=O)[O-]
282120724	ZINC000533445054	ref	3.66	-46.36	-1	273.296	1.394	1	4	3	Cc1cc(CNC(=O)N=c2ccc(C3CC3)n[n-]2)on1
342599189	ZINC000616992564	ref	5.69	-40.13	1	278.4	1.579	2	3	3	Cc1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cnn1C
214177917	ZINC000337604599	ref	8.08	-37.52	1	295.471	3.127	3	1	4	CC[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C(C)C)CC1
398246961	ZINC000650864869	mid	6.66	-35.92	1	297.443	1.975	3	2	8	CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)COCC1CC1
398246964	ZINC000650864869	high	4.72	-5.58	0	297.443	1.975	2	3	8	CCN1CCCC[C@@H]1CNC(=O)N[C@@H](C)COCC1CC1
398246969	ZINC000650867524	ref	5.38	-17.43	0	275.312	1.407	1	6	5	Cc1cnc(OC(C)C)c(NC(=O)Cn2cncn2)c1
190492383	ZINC000269411627	ref	8.04	-41.05	1	274.408	3.107	1	2	5	CCC[N@H+](Cc1ccncc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
190492384	ZINC000269411627	mid	7.92	-40.57	1	274.408	3.107	1	2	5	CCC[N@@H+](Cc1ccncc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C
306234533	ZINC000557843016	ref	4.96	-114.59	2	336.48	1.465	4	2	5	CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1
214177919	ZINC000337604898	ref	3.67	-11.31	0	294.317	2.443	2	2	3	O=C(NCC1CCC(C(F)(F)F)CC1)N[C@@H]1CCOC1
214177921	ZINC000337604920	ref	4.03	-43.26	1	299.415	0.654	3	3	6	COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC2(O)CCCC2)C1
214177924	ZINC000337604920	mid	3.79	-42.98	1	299.415	0.654	3	3	6	COCC[N@H+]1CC[C@H](NC(=O)N(C)CC2(O)CCCC2)C1
398246976	ZINC000650867436	ref	3.38	-16.04	0	275.414	1.752	1	3	3	C[C@@H](NC(=O)C[C@@H]1CCCS(=O)(=O)C1)C(C)(C)C
214177925	ZINC000337604920	mid	1.26	-10.27	0	299.415	0.654	2	4	6	COCCN1CC[C@H](NC(=O)N(C)CC2(O)CCCC2)C1
365624501	ZINC000637717866	ref	7.09	-41.16	1	295.427	1.68	2	2	4	C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)C1
214177928	ZINC000337603336	ref	7.24	-11.78	0	283.375	3.082	2	2	4	CC[C@@H]1C[C@]1(NC(=O)c1cnc(C)[nH]1)c1cccc(C)c1
178294363	ZINC000353111944	ref	4.25	-9.83	0	240.31	2.489	3	2	4	Cc1cc2cc(CNCc3ncc[nH]3)ccc2[nH]1
168365357	ZINC000368505658	mid	6.22	-40.76	1	329.356	3.005	1	5	4	O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@]34CCOC4)co2)cc1
214177929	ZINC000337603336	low	7.71	-37.46	1	283.375	3.082	2	1	4	CC[C@@H]1C[C@]1(NC(=O)c1c[nH+]c(C)[nH]1)c1cccc(C)c1
343994538	ZINC000599271381	low	6.49	-43.53	1	298.408	1.022	2	5	6	CCOC(=O)[C@H]1CSCC[N@@H+]1C[C@@H](O)CC1(C#N)CC1
398246982	ZINC000650866082	ref	1.15	-8.12	0	289.376	1.786	3	4	7	CCc1nc([C@@H](C)NC(=O)N[C@H](CO)CCF)cs1
178294368	ZINC000353111944	mid	5.59	-46.67	1	240.31	2.489	3	1	4	Cc1cc2cc(C[NH2+]Cc3ncc[nH]3)ccc2[nH]1
398246987	ZINC000650867435	ref	3.39	-16.08	0	275.414	1.752	1	3	3	C[C@@H](NC(=O)C[C@H]1CCCS(=O)(=O)C1)C(C)(C)C
214177933	ZINC000337605197	ref	4.0	-16.84	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC(=O)C[C@H]1C
346818963	ZINC000601318831	ref	6.82	-19.8	0	286.331	2.306	1	4	5	CCOC(=O)C[C@H](C)NC(=O)c1ccc2cccnc2c1
349536005	ZINC000258946254	mid	8.84	-41.03	1	208.349	3.048	1	1	4	C[N@@H+](CC1CCCCC1)CC(C)(C)C#N
370645386	ZINC000293465969	ref	5.8	-20.35	0	291.336	1.952	0	8	5	Cc1ccsc1-c1noc(COCc2nncn2C)n1
365624510	ZINC000637717866	high	4.65	-7.13	0	295.427	1.68	1	3	4	CN(C)[C@@H]1CCN(C(=O)N[C@@H](C2CCC2)[C@@H]2CCCO2)C1
342084075	ZINC000625346417	ref	-0.02	-7.32	0	281.356	1.301	1	6	6	CCO[C@H](CN1C[C@H](O)C[C@@H]1c1nc(C)no1)C1CC1
365624520	ZINC000274324005	ref	7.8	-15.05	0	288.347	1.957	0	4	4	CCOC(=O)[C@H]1CCCN1C(=O)/C=C/c1cnccc1C
342084076	ZINC000625346417	mid	3.2	-40.52	1	281.356	1.301	2	5	6	CCO[C@H](C[N@@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1)C1CC1
365624532	ZINC000274325325	ref	4.34	-9.35	0	296.342	1.873	2	3	5	CC[C@@H](C)[C@H](O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C
299072446	ZINC000347465120	ref	4.99	-15.0	0	324.446	2.355	1	3	5	C[C@@H](c1ccccc1)N(C)C(=O)N[C@@H](C)C1(S(C)(=O)=O)CC1
365624540	ZINC000274327257	ref	1.98	-12.1	0	250.302	1.103	2	4	2	CC1(CO)CCN(C(=O)Nc2cncnc2)CC1
199273204	ZINC000294963221	ref	4.89	-7.86	0	261.365	3.081	2	2	3	C[C@H]1C[C@@H](C(=O)NCc2ccc(O)cc2)CC[C@H]1C
197598610	ZINC000290108522	ref	6.51	-18.02	0	286.339	1.718	2	5	4	Cc1nnc(CNC(=O)Nc2cc(C3CC3)ccn2)n1C
197598612	ZINC000290108163	ref	5.79	-11.18	0	291.66	3.066	0	4	3	Cn1nncc1COc1cc(C(F)(F)F)ccc1Cl
370645393	ZINC000293466538	ref	2.26	-13.41	0	252.289	1.485	1	3	5	COC[C@H]1CCN1CC(=O)Nc1cccc(F)c1
365624556	ZINC000274324679	ref	5.45	-12.08	0	294.33	1.553	1	3	2	CC(C)C(=O)N1CCN(C(=O)Nc2cccc(F)n2)CC1
365624567	ZINC000274326759	ref	1.29	-5.89	0	294.399	1.157	2	5	6	CCOc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)ncn1
342084077	ZINC000625346417	mid	2.81	-40.21	1	281.356	1.301	2	5	6	CCO[C@H](C[N@H+]1C[C@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084078	ZINC000625345755	ref	5.03	-8.21	0	262.3	1.662	0	2	0	C[C@@H]1CN(C(=O)N2CCOCC2)C[C@@H](C)C1(F)F
342084079	ZINC000625345546	ref	3.36	-11.85	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@@H](C)C1(F)F
342084080	ZINC000625345511	ref	1.35	-41.56	1	265.357	1.47	1	5	5	CC[C@@]1(CO)CCCN(Cc2cncc(OC)n2)C1
342084081	ZINC000625345511	mid	1.95	-40.95	1	265.357	1.47	2	4	5	CC[C@@]1(CO)CCC[N@H+](Cc2cncc(OC)n2)C1
342084082	ZINC000625345511	mid	1.35	-41.56	1	265.357	1.47	2	4	5	CC[C@@]1(CO)CCC[N@@H+](Cc2cncc(OC)n2)C1
365624512	ZINC000623054671	mid	2.96	-66.06	0	300.362	1.265	1	3	2	C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1
365624521	ZINC000623054668	ref	3.89	-48.46	1	300.362	1.265	2	3	2	C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[nH]1
290623174	ZINC000492526458	ref	7.07	-12.41	0	290.363	2.253	1	4	8	COC(=O)CCCCCNC(=O)/C=C/c1ccc(C)cn1
290623175	ZINC000492526309	ref	7.74	-14.06	0	298.386	2.135	1	2	5	Cc1ccc(/C=C\C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1
290623177	ZINC000492526753	ref	8.95	-38.56	1	289.423	2.449	1	2	7	Cc1ccncc1/C=C\C(=O)N(CC[NH+](C)C)CC(C)C
349533382	ZINC000621483445	ref	7.43	-11.5	0	272.339	3.006	1	1	3	O=C(N[C@H]1CCCC(F)(F)C1)N1CC(CC2CC2)C1
365624527	ZINC000623054668	mid	2.81	-66.88	0	300.362	1.265	1	3	2	C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1
197598627	ZINC000162894318	ref	6.58	-10.61	0	316.445	2.912	2	2	5	CCC1(CO)CCN(C(=O)NCC2(c3ccccc3)CC2)CC1
342084083	ZINC000032726278	ref	3.88	-12.72	0	284.319	1.565	1	5	3	O=C(Nc1ccncc1)c1cccnc1N1CCOCC1
342084084	ZINC000625345784	ref	3.94	-14.72	0	260.284	1.157	1	2	5	C[C@@H](C(=O)N(CC(F)F)C1CC1)[C@@H]1CCC(=O)N1
342084085	ZINC000625345399	ref	1.36	-10.1	0	292.383	1.318	0	5	5	CCCN1CCN(Cc2cncc(OC)n2)C(C)(C)C1=O
342084086	ZINC000625345743	ref	0.83	-6.91	0	251.33	1.54	1	5	3	C[C@H]1CN(Cc2noc(C3CCC3)n2)CC[C@@H]1O
342084087	ZINC000625346196	ref	2.2	-11.32	0	260.301	1.121	2	6	3	CNc1cnc(C(=O)Nc2c(C)c(C)nn2C)cn1
342084088	ZINC000625341922	ref	2.31	-14.73	0	292.368	1.14	1	7	4	CC(=O)Nc1ccn([C@@H]2CCN(Cc3cnns3)C2)n1
342084089	ZINC000625341922	low	4.69	-57.65	1	292.368	1.14	2	6	4	CC(=O)Nc1ccn([C@@H]2CC[N@H+](Cc3cnns3)C2)n1
342084090	ZINC000625341922	low	4.78	-58.29	1	292.368	1.14	2	6	4	CC(=O)Nc1ccn([C@@H]2CC[N@@H+](Cc3cnns3)C2)n1
342084091	ZINC000625346225	ref	4.25	-8.52	0	282.356	1.548	0	2	3	C[C@H]1CN(S(=O)(=O)N(C)C2CC2)C[C@@H](C)C1(F)F
342084092	ZINC000625346420	ref	1.41	-8.1	0	281.356	1.301	1	6	6	CCO[C@H](CN1C[C@@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084093	ZINC000625346420	mid	3.2	-34.54	1	281.356	1.301	2	5	6	CCO[C@H](C[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084094	ZINC000625346420	mid	2.78	-38.97	1	281.356	1.301	2	5	6	CCO[C@H](C[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084095	ZINC000625345360	ref	3.65	-50.57	1	294.302	1.038	1	5	4	O=C(NCC(F)(F)F)[C@@H]1CCN(Cc2cnns2)C1
342084096	ZINC000625345360	mid	3.61	-50.13	1	294.302	1.038	2	4	4	O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cnns2)C1
342599190	ZINC000616992564	mid	5.62	-39.75	1	278.4	1.579	2	3	3	Cc1c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cnn1C
214177931	ZINC000053354910	ref	7.66	-11.94	0	344.459	2.94	0	5	4	Cc1cc(CN2CCN(C(=O)c3cc(C)n(C(C)C)c3C)CC2)on1
185090547	ZINC000096081684	ref	3.89	-7.51	0	287.363	1.094	0	5	4	COCCN1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21
185090550	ZINC000096081684	low	6.81	-42.47	1	287.363	1.094	1	4	4	COCC[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21
342599191	ZINC000590828673	ref	6.12	-12.01	0	277.28	1.908	1	4	2	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@H]2C[C@H]21
214177932	ZINC000053327281	ref	3.19	-13.86	0	335.454	2.347	2	5	6	Cc1csc(SCc2ccc(C(=O)N[C@@H](C)C(N)=O)cc2)n1
214177936	ZINC000053340876	ref	9.66	-26.78	1	326.278	3.786	1	1	7	CC[NH2+]C[C@@H](Cc1ccccc1Br)C[C@H]1CCCO1
214177944	ZINC000053325450	ref	3.01	-9.89	0	339.823	1.474	3	3	7	CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@H](C)C(N)=O
342599192	ZINC000590839700	ref	4.12	-14.61	0	275.414	1.706	0	3	3	C[C@H](CC(=O)N1CCS(=O)(=O)CC1)CC(C)(C)C
185090551	ZINC000096081684	low	6.04	-45.28	1	287.363	1.094	1	4	4	COCC[N@H+]1CCO[C@H]2CN(c3ccc(C#N)cc3)C[C@H]21
214177947	ZINC000053337142	ref	1.99	-24.15	0	340.383	1.695	3	3	7	NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(NC(N)=O)c1
214177950	ZINC000053337549	ref	8.39	-14.4	0	336.395	2.161	1	4	6	Cc1ccn2cc(C(=O)N(CCC(N)=O)Cc3ccccc3)nc2c1
214177955	ZINC000053331567	ref	6.53	-9.17	0	330.413	4.075	1	6	6	CCOc1ccc2[nH]c(S[C@H](C)c3nc(C4CC4)no3)nc2c1
214177958	ZINC000053331567	mid	6.52	-7.82	0	330.413	4.075	1	6	6	CCOc1ccc2nc(S[C@H](C)c3nc(C4CC4)no3)[nH]c2c1
365624517	ZINC000172844065	ref	6.49	-14.97	0	282.34	1.698	1	3	4	C[C@H](CN1C(=O)[C@@H](C)NC1=S)Oc1ccccc1F
365624529	ZINC000643087939	ref	6.55	-11.29	0	294.399	1.696	0	6	5	COCc1nnc(N2C[C@H](C)C[C@H]2C)n1C[C@H]1CCOC1
365624545	ZINC000136774687	ref	6.44	-13.64	0	291.376	1.486	1	5	5	CSCCCNC(=O)c1cnc2cc(C)ccn2c1=O
365624569	ZINC000172841580	ref	5.68	-40.97	1	262.353	1.653	2	2	4	CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1
342599193	ZINC000590829957	ref	4.64	-12.36	0	262.288	1.537	1	3	2	Cc1cc(CNC(=O)N2CC[C@](F)(C#N)C2)ccn1
342599194	ZINC000590829090	ref	3.5	-11.67	0	289.335	1.801	2	4	2	COc1cc(C#N)ccc1NC(=O)N1C[C@@H](C)C[C@H](O)C1
365624581	ZINC000172841580	mid	5.88	-37.11	1	262.353	1.653	2	2	4	CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1
214177935	ZINC000337604177	ref	8.02	-7.03	0	276.424	3.445	2	1	4	O=C(NCC1(C2CC2)CC1)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1
214177938	ZINC000337603465	ref	6.02	-11.95	0	264.373	2.167	2	3	4	CC[C@@H](C)NC(=O)NC[C@H]1CCCn2cc(C)nc21
214177942	ZINC000337603465	low	5.96	-32.25	1	264.373	2.167	2	2	4	CC[C@@H](C)NC(=O)NC[C@H]1CCCn2cc(C)[nH+]c21
214177943	ZINC000337604669	ref	7.69	-41.34	1	289.423	2.403	3	1	8	CCC[C@H](Cc1ccccc1)NC(=O)NCC[NH+]1CCC1
214177946	ZINC000337604669	mid	4.51	-10.25	0	289.423	2.403	2	2	8	CCC[C@H](Cc1ccccc1)NC(=O)NCCN1CCC1
214177948	ZINC000337603294	ref	4.33	-23.03	0	289.335	0.953	1	5	7	CN(CCOCCO)C(=O)c1cccc(-n2cccn2)c1
178294377	ZINC000096517279	ref	7.41	-48.04	-1	245.242	0.703	0	7	3	Cc1cc2c3nnc(CCC(=O)[O-])n3ccn2n1
178294381	ZINC000285455516	ref	5.22	-42.96	1	230.311	2.355	2	1	3	Cc1cc2cc(C[NH2+][C@H]3CCOC3)ccc2[nH]1
365624523	ZINC000617389825	ref	4.07	-18.4	0	287.381	0.591	0	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCCS2(=O)=O)CCO1
365624534	ZINC000617390018	ref	1.38	-9.77	0	298.383	0.147	2	4	5	CC(C)C(=O)N[C@@H](CO)C(=O)N1CCO[C@@](C)(C2CC2)C1
282120719	ZINC000248956574	ref	4.33	-45.77	1	306.362	1.114	3	4	5	COC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1
282120722	ZINC000248956574	mid	4.55	-40.77	1	306.362	1.114	3	4	5	COC(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1
282120726	ZINC000248956574	mid	2.41	-11.53	0	306.362	1.114	2	5	5	COC(=O)c1ccc(NC(=O)CN2CC[C@H](C)[C@@H]2CO)cc1
178294387	ZINC000285455516	high	4.0	-6.02	0	230.311	2.355	2	2	3	Cc1cc2cc(CN[C@H]3CCOC3)ccc2[nH]1
178294390	ZINC000035326923	ref	6.72	-6.17	0	222.291	3.726	2	1	1	Cc1cc2cc(-c3ccccc3)[nH]c2cc1N
178294394	ZINC000004057696	ref	7.29	-9.73	0	242.322	2.513	1	2	3	Cc1cc2cc(CNC(=O)C3CC3)ccc2n1C
214177952	ZINC000337604938	ref	0.21	-15.74	0	265.248	0.044	2	4	4	CCN(CC(N)=O)C(=O)c1cc(F)cc2n[nH]nc12
136228645	ZINC000230482713	mid	3.51	-13.18	0	219.248	0.314	2	5	1	C[C@]1(O)CCN(c2ncnc3[nH]cnc23)C1
178294397	ZINC000336114652	ref	5.88	-17.29	0	243.31	3.0	2	2	3	Cc1cc2c[nH]nc2cc1NC(=O)CC1(C)CC1
178294399	ZINC000353797169	ref	8.43	-38.26	1	242.366	3.755	2	0	4	Cc1cc2cc(C[NH2+][C@H](C)C3CCC3)ccc2[nH]1
178294403	ZINC000001924057	ref	7.87	-10.5	0	224.263	2.603	1	2	1	Cc1cc2cc(-c3ccccc3)cn2c(=O)[nH]1
214177953	ZINC000337604938	mid	0.08	-16.6	0	265.248	0.044	2	4	4	CCN(CC(N)=O)C(=O)c1cc(F)cc2nn[nH]c12
178294384	ZINC000237055462	ref	9.0	-96.03	2	373.545	1.816	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1
365624528	ZINC000122113514	mid	9.51	-37.82	1	252.402	2.365	1	1	5	CC[N@H+]1CC[C@H](N(C)C(=O)CCC2CC2)[C@H](C)C1
178294388	ZINC000237055462	high	7.03	-47.02	1	373.545	1.816	1	4	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
365624537	ZINC000122041006	ref	3.88	-16.03	0	295.383	2.244	2	4	5	CC(C)(C)OC(=O)NCCCC(=O)NC1(C#N)CCCC1
365624552	ZINC000122030149	ref	8.87	-37.96	1	280.416	2.454	2	3	7	CC(C)CCn1ccc(NC(=O)[C@H](C(C)C)[NH+](C)C)n1
342084097	ZINC000625345360	mid	3.65	-50.57	1	294.302	1.038	2	4	4	O=C(NCC(F)(F)F)[C@@H]1CC[N@@H+](Cc2cnns2)C1
342084098	ZINC000625346274	ref	7.33	-8.71	0	257.333	1.82	0	2	2	CN(C(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)[C@@H]1CCOC1
365624565	ZINC000122030149	mid	6.59	-9.4	0	280.416	2.454	1	4	7	CC(C)CCn1ccc(NC(=O)[C@H](C(C)C)N(C)C)n1
136228646	ZINC000191598812	ref	3.78	-8.79	0	212.293	0.936	1	2	6	C=CCCC(=O)N[C@@H](C)C(=O)N(C)CC
398246967	ZINC000651454320	ref	8.84	-41.16	1	277.383	3.225	1	1	4	Cc1ccc(F)c(CC[NH2+][C@H]2CCC23CCOCC3)c1
342084099	ZINC000625341972	ref	4.28	-11.07	0	299.383	1.964	0	3	5	CC[C@H](CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1)OC
197598636	ZINC000290110049	ref	4.57	-8.42	0	265.231	2.415	1	4	4	COC(=O)c1cc(CN[C@@H](C)C(F)(F)F)oc1C
282120725	ZINC000449149676	ref	6.81	-92.55	2	268.445	2.392	3	1	9	CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCC1
282120730	ZINC000449149676	mid	6.32	-96.6	2	268.445	2.392	3	1	9	CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)C1CCC1
290623176	ZINC000337132171	ref	3.16	-24.83	0	343.387	1.225	4	4	6	CNC(=O)c1c(NC(=O)C[C@H](C)NC(=O)c2ccccc2)n[nH]c1C
342084100	ZINC000625345493	ref	4.76	-13.83	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2cn(C)cn2)C[C@@H](C)C1(F)F
342084101	ZINC000625345571	ref	4.62	-9.91	0	277.32	1.464	0	4	2	CN(C(=O)[C@@]1(C)COc2ccccc2O1)[C@H]1CCOC1
342084102	ZINC000625345787	ref	4.23	-15.0	0	260.284	1.157	1	2	5	C[C@H](C(=O)N(CC(F)F)C1CC1)[C@H]1CCC(=O)N1
342084103	ZINC000625345569	ref	4.69	-9.21	0	277.32	1.464	0	4	2	CN(C(=O)[C@@]1(C)COc2ccccc2O1)[C@@H]1CCOC1
342084104	ZINC000625345797	ref	3.4	-36.55	1	279.327	1.274	2	3	5	OC1(C(F)F)CC[NH+](CCOC2CCOCC2)CC1
342084105	ZINC000625345797	high	1.09	-5.53	0	279.327	1.274	1	4	5	OC1(C(F)F)CCN(CCOC2CCOCC2)CC1
342084106	ZINC000625346260	ref	2.67	-8.53	0	268.329	1.206	1	2	3	C[C@H]1CN(S(=O)(=O)NC2CC2)C[C@@H](C)C1(F)F
365624530	ZINC000336544143	high	6.41	-6.91	0	252.402	2.365	0	2	3	CC[C@@H]1C[C@H](C)CN1C(=O)CC1CCN(C)CC1
365624539	ZINC000336544261	ref	5.76	-7.49	0	281.359	2.363	0	3	3	Cc1ccncc1CN1CC(=O)N(C)[C@@H]1c1ccccc1
365624548	ZINC000336543729	ref	6.51	-26.96	0	262.353	2.336	1	2	1	Cc1cc(=O)c(C(=O)N2CCCCC(C)(C)C2)c[nH]1
365624558	ZINC000336544115	ref	7.01	-10.48	0	290.794	2.461	0	2	2	O=C1[C@H](N2CCc3c(Cl)cccc3C2)CCN1C1CC1
282120727	ZINC000151593391	ref	7.67	-18.16	0	312.36	2.271	1	2	7	CC(C)NC(=O)CN(C)C(=O)CCCc1ccc(F)c(F)c1
282120735	ZINC000151595063	ref	5.04	-13.47	0	301.39	2.036	3	2	6	CNC(=O)c1ccc(CNC(=O)NCC2(C3CC3)CC2)cc1
178294391	ZINC000237055462	high	6.73	-9.39	0	373.545	1.816	1	5	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1
365624568	ZINC000336544115	low	9.37	-40.69	1	290.794	2.461	1	1	2	O=C1[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1C1CC1
178294392	ZINC000237039919	ref	5.63	-97.85	2	360.502	1.383	3	2	8	CC[NH+](CC)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1
178294393	ZINC000237039919	mid	3.67	-58.62	1	360.502	1.383	2	3	8	CCN(CC)[C@@H](C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1
365624577	ZINC000336544115	low	9.38	-42.91	1	290.794	2.461	1	1	2	O=C1[C@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1C1CC1
365624591	ZINC000336544002	ref	7.1	-10.92	0	262.328	2.412	0	2	2	O=C(Cc1ncccc1F)N1C[C@@H]2CCCC[C@H]2C1
365624601	ZINC000336544439	ref	2.81	-9.6	0	258.321	2.044	2	3	3	Cc1c(C(=O)NCC(C)(C)O)cnc2ccccc12
398246970	ZINC000651455072	ref	6.91	-9.09	0	272.396	3.327	1	4	5	CCn1ccnc1[C@@H](C)N[C@H](C)c1ccc(C)nc1C
136228647	ZINC000283269822	ref	6.21	-9.57	0	241.312	0.565	1	4	2	CC#CC(=O)NC1(C(=O)OC)CCSCC1
365624609	ZINC000336544504	ref	6.91	-6.72	0	293.411	2.477	0	4	3	Cc1cc(C)n([C@@H](C)CC(=O)N2CC(C)(C)OC[C@@H]2C)n1
365624618	ZINC000336544003	ref	7.15	-10.74	0	262.328	2.412	0	2	2	O=C(Cc1ncccc1F)N1C[C@H]2CCCC[C@@H]2C1
365624629	ZINC000336543510	ref	7.54	-9.17	0	263.385	2.391	0	3	3	Cn1nccc1CCC(=O)N1CCCCC(C)(C)C1
178305616	ZINC000019394980	ref	6.87	-53.05	1	217.316	2.392	1	2	4	Cc1cc2ncn(CCCC[NH3+])c2cc1C
136228648	ZINC000283271900	ref	2.22	-6.57	0	224.304	0.237	1	3	3	CC#CCNC(=O)C(C)(C)N1CCOCC1
365624639	ZINC000336544242	ref	5.34	-14.14	0	284.425	2.313	0	4	2	C[C@@H]1CN(Cc2cc(C(C)(C)C)on2)C[C@@H](C)S1=O
365624648	ZINC000336544208	ref	3.06	-8.1	0	280.372	2.392	2	4	3	Cc1noc(CNC(=O)N[C@H]2CCC(C)(C)C[C@@H]2C)n1
178294395	ZINC000237050390	ref	10.95	-61.34	1	370.501	1.896	1	5	5	C[NH2+]CC1CCN(C(=O)Cc2c(C)nn(-c3nc(C)cc(C)n3)c2C)CC1
185090553	ZINC000096080917	ref	7.85	-45.29	1	282.384	0.986	1	3	5	COC(=O)CCC(=O)N1C[C@@H]2C[NH+](CC(C)C)C[C@H]2C1
365624535	ZINC000623054781	ref	3.62	-45.22	1	311.183	1.208	2	3	3	O=C(N[C@H]1CC[NH2+]C1)c1nc(C2CC2)ncc1Br
136228649	ZINC000283271900	low	4.03	-37.0	1	224.304	0.237	2	2	3	CC#CCNC(=O)C(C)(C)[NH+]1CCOCC1
365624546	ZINC000623054359	ref	6.28	-57.39	1	315.381	1.186	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N(C)C1CC[NH2+]CC1
365624555	ZINC000623054026	ref	3.15	-49.93	1	304.213	1.716	1	3	2	[NH3+]CC1CCN(C(=O)c2ncc(Br)s2)CC1
178294396	ZINC000237049611	ref	9.72	-74.5	-1	358.419	1.858	0	5	4	CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C(=O)c1cccs1
214177937	ZINC000293486736	ref	4.7	-14.59	0	360.296	0.533	1	8	5	COC(=O)[C@H](CC(F)(F)F)NC(=O)c1nnn(-c2ccn(C)n2)c1C
214177939	ZINC000293486952	ref	2.7	-17.71	0	371.39	0.319	1	5	3	COC(=O)c1cc(S(=O)(=O)N2CCN3C(=O)NC[C@@H]3C2)c(C)cc1F
214177940	ZINC000293484586	ref	5.44	-15.39	0	354.411	0.419	3	7	5	CC(C)[C@H](CNC(=O)C(=O)Nc1ncn(C)n1)NC(=O)OC(C)(C)C
342084107	ZINC000625346226	ref	4.39	-8.54	0	282.356	1.548	0	2	3	C[C@H]1CN(S(=O)(=O)N(C)C2CC2)C[C@H](C)C1(F)F
214177945	ZINC000293481939	ref	4.72	-27.43	0	373.413	0.207	2	7	5	Cn1cnn(CCC(=O)Nc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1=O
214177949	ZINC000293476875	ref	3.44	-15.7	0	361.406	0.912	1	8	3	Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCC[C@@H](C)[C@H]3C)c2C)no1
214177951	ZINC000293477843	ref	8.64	-55.24	1	359.434	0.146	2	7	6	Cn1cnn(CCC(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)c1=O
282120728	ZINC000533445054	low	3.03	-14.93	0	273.296	1.394	2	4	3	Cc1cc(CNC(=O)N=c2ccc(C3CC3)n[nH]2)on1
365624563	ZINC000623053893	ref	2.48	-43.34	1	304.213	1.635	2	3	3	O=C(NCC1CC[NH2+]CC1)c1ncc(Br)s1
365624571	ZINC000623053916	ref	5.41	-54.45	1	305.769	1.309	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CC[C@@H]([NH3+])C1
365624582	ZINC000623054682	ref	5.92	-60.89	1	314.393	1.622	3	4	6	C[NH2+]CCCNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365624595	ZINC000623054655	ref	5.03	-39.95	1	318.24	1.977	1	3	3	C[NH2+]C[C@@H]1CCCN(C(=O)c2ncc(Br)s2)C1
343994540	ZINC000139350432	ref	4.68	-5.27	0	112.172	1.621	0	1	1	CC(=O)[C@@]1(C)C[C@@H]1C
136228650	ZINC000283272399	ref	9.37	-13.09	0	204.277	1.152	0	4	3	C#CCN(C)c1nnc(C2CCC2)n1C
214177954	ZINC000293483262	ref	4.4	-54.19	-1	374.441	0.399	1	5	6	CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)[N-]OCC3CC3)cc2)CC1
185090554	ZINC000096081190	ref	4.73	-16.24	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccc(C)o1
342599195	ZINC000590839803	ref	4.94	-12.92	0	269.32	1.591	1	3	3	CCO[C@@H]1CCC[C@H]1NC(=O)N1CC[C@](F)(C#N)C1
178294398	ZINC000237050544	ref	4.04	-63.7	1	365.499	1.813	1	3	4	CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1
178294400	ZINC000237040269	ref	3.17	-57.34	1	357.451	1.196	2	3	6	CC[NH2+]CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)NC)c2)CC1
178294401	ZINC000237040269	high	2.98	-82.59	0	357.451	1.196	1	3	6	CC[NH2+]CC1CCN(C(=O)c2ccc(F)c(S(=O)(=O)[N-]C)c2)CC1
342599196	ZINC000590829444	ref	7.54	-14.59	0	263.345	1.382	1	4	4	CCn1cnnc1CNC(=O)N1CCC[C@@H]1C1CC1
178294402	ZINC000237047840	ref	7.45	-50.44	1	359.478	1.685	2	6	9	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[C@@H]([NH3+])C(C)C
342599197	ZINC000616992717	ref	6.0	-44.26	1	295.427	1.091	2	2	4	CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1=O
168365358	ZINC000368502102	ref	7.81	-10.17	0	346.471	3.08	1	3	3	Cc1ccc([C@@H](C)CNC(=O)N2CCOC3(CCOCC3)CC2)cc1
290623178	ZINC000492526753	high	6.48	-11.4	0	289.423	2.449	0	3	7	Cc1ccncc1/C=C\C(=O)N(CCN(C)C)CC(C)C
178294404	ZINC000237054976	ref	7.15	-61.05	1	359.47	1.673	1	3	5	C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1
178294405	ZINC000237050003	ref	4.04	-10.8	0	353.422	1.854	3	4	6	CCOc1ccc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3CN2)cc1
178294407	ZINC000237050003	mid	5.44	-45.16	1	353.422	1.854	3	3	6	CCOc1ccc(NC(=O)CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1
178294411	ZINC000237052291	ref	1.45	-10.8	0	351.501	1.579	1	7	5	CCc1nc(CN2CCN(C(=O)c3csc(CN)n3)CC2)cs1
178294414	ZINC000237052291	mid	1.84	-58.48	1	351.501	1.579	1	6	5	CCc1nc(CN2CCN(C(=O)c3csc(C[NH3+])n3)CC2)cs1
185090558	ZINC000096081700	ref	1.47	-47.46	1	297.399	-0.456	2	4	4	CNC(=O)CN1CCO[C@H]2C[N@H+](CC3CCOCC3)C[C@H]21
185090560	ZINC000096081700	mid	1.52	-47.83	1	297.399	-0.456	2	4	4	CNC(=O)CN1CCO[C@H]2C[N@@H+](CC3CCOCC3)C[C@H]21
168365360	ZINC000368504331	ref	7.44	-40.41	1	325.456	3.254	2	3	5	Cn1nccc1C1C[C@@H]2CC[C@H](C1)[N@@H+]2CC[C@@H](O)c1ccccc1
168366281	ZINC000044462095	ref	0.91	-35.81	1	159.62	0.953	2	1	2	C[C@@H]([NH3+])Cc1n[nH]cc1Cl
178294406	ZINC000082360991	ref	3.6	-5.53	0	225.089	2.821	2	1	0	Cc1cc2cc(Br)cc(N)c2[nH]1
178294408	ZINC000026578249	ref	8.42	-47.53	1	240.35	2.932	1	1	0	Cc1cc2c3c(c1)c1c(n3CC[NH2+]C2)CCCC1
290623179	ZINC000492526645	ref	3.92	-14.9	0	270.288	2.448	2	4	4	COc1ccc(/C=C\C(=O)Nc2ncccc2O)cc1
365624541	ZINC000625040762	ref	6.36	-20.51	0	307.419	2.043	1	3	4	CN(Cc1ccsc1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
178294409	ZINC000026578249	high	7.1	-5.99	0	240.35	2.932	1	2	0	Cc1cc2c3c(c1)c1c(n3CCNC2)CCCC1
178294410	ZINC000309715245	ref	7.11	-45.46	1	221.275	3.109	1	1	4	Cc1cc2cc(C[NH2+]CCF)oc2cc1C
365624549	ZINC000625038753	ref	2.22	-8.11	0	302.168	2.309	2	3	5	COCC[C@H](C)NC(=O)c1cc(O)cc(Br)c1
312712779	ZINC000176836606	ref	4.63	-8.86	0	280.29	2.149	1	2	2	O=C(N[C@H](C1CCCC1)C(F)(F)F)N1CCOCC1
136228651	ZINC000283248973	ref	5.58	-13.03	0	205.261	0.659	1	3	4	CC#CC(=O)NC[C@@H](C)Cn1ccnc1
178294412	ZINC000309715245	mid	5.75	-6.55	0	221.275	3.109	1	2	4	Cc1cc2cc(CNCCF)oc2cc1C
214177956	ZINC000337604938	high	-0.01	-55.74	-1	265.248	0.044	1	4	4	CCN(CC(N)=O)C(=O)c1cc(F)cc2[n-]nnc12
398246973	ZINC000651455072	mid	7.86	-40.94	1	272.396	3.327	1	3	5	CCn1ccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)nc1C
398246977	ZINC000651454307	ref	7.38	-45.99	1	261.344	3.059	2	1	5	Cc1ccc(F)c(CC[NH2+][C@@H](C)c2c[nH]nc2C)c1
398246979	ZINC000651454307	mid	7.28	-42.3	1	261.344	3.059	2	1	5	Cc1ccc(F)c(CC[NH2+][C@@H](C)c2cn[nH]c2C)c1
398246984	ZINC000651454307	high	6.13	-6.75	0	261.344	3.059	2	2	5	Cc1ccc(F)c(CCN[C@@H](C)c2c[nH]nc2C)c1
398246988	ZINC000651454155	ref	8.01	-11.34	0	285.391	3.261	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]1c1ccccn1
349533387	ZINC000618810260	ref	4.94	-20.53	0	288.355	1.303	1	6	5	CC(C)Nc1ncccc1C(=O)N(C)Cc1cn(C)nn1
349533389	ZINC000618806826	ref	6.18	-10.79	0	271.324	1.36	0	5	4	CN(Cc1cn(C)nn1)C(=O)c1ccc(C2CC2)cn1
349533393	ZINC000618806942	ref	3.95	-18.32	0	275.312	1.261	0	6	4	Cc1oc(C2CC2)nc1C(=O)N(C)Cc1cn(C)nn1
349533397	ZINC000618806648	ref	6.29	-10.58	0	299.378	1.68	0	5	4	CN(Cc1cn(C)nn1)C(=O)C1(c2cccnc2)CCCC1
349536010	ZINC000258946254	high	7.63	-5.0	0	208.349	3.048	0	2	4	CN(CC1CCCCC1)CC(C)(C)C#N
214177957	ZINC000337604938	high	-0.08	-56.05	-1	265.248	0.044	1	4	4	CCN(CC(N)=O)C(=O)c1cc(F)cc2nn[n-]c12
365624557	ZINC000625038753	high	2.96	-38.47	-1	302.168	2.309	1	3	5	COCC[C@H](C)NC(=O)c1cc([O-])cc(Br)c1
365624543	ZINC000617390232	ref	2.79	-12.48	0	266.341	0.525	1	3	3	C[C@]1(C2CC2)CN(C(=O)[C@H]2CC[C@@H]2C(N)=O)CCO1
365624554	ZINC000617388165	ref	2.84	-17.33	0	267.329	0.038	1	3	2	CN1C[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)NC1=O
282120731	ZINC000248955558	ref	1.17	-15.12	0	304.437	1.652	1	5	5	Cc1csc([C@H](C)CNS(=O)(=O)[C@@H]2CCO[C@H]2C)n1
197598640	ZINC000290109348	ref	3.13	-7.83	0	293.363	2.188	2	4	5	CCc1ccc([C@H](O)CNC(=O)OC2CCOCC2)cc1
190492393	ZINC000269410916	ref	6.02	-7.93	0	278.302	3.284	2	3	5	C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1ncccc1F
365624561	ZINC000617388979	ref	5.13	-8.55	0	277.328	0.19	0	6	3	C[C@]1(C2CC2)CN(C(=O)C2(n3cnnn3)CC2)CCO1
342599198	ZINC000616992717	mid	5.93	-43.93	1	295.427	1.091	2	2	4	CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1=O
197598643	ZINC000290108168	ref	4.7	-5.43	0	266.366	3.188	0	5	6	CC[C@](C)(OC)c1noc(CCc2cccs2)n1
197598644	ZINC000290108108	ref	2.53	-10.14	0	298.408	0.939	2	3	7	CCN(C)S(=O)(=O)NC[C@]1(CO)C[C@@H]1c1ccccc1
178294416	ZINC000237054143	ref	5.39	-57.0	-1	361.192	1.341	1	5	6	CN(CC(=O)NCC(C)(C)C(=O)[O-])C(=O)c1ccc(Br)o1
365624572	ZINC000617388980	ref	5.45	-8.84	0	277.328	0.19	0	6	3	C[C@@]1(C2CC2)CN(C(=O)C2(n3cnnn3)CC2)CCO1
197598646	ZINC000290109852	ref	5.95	-50.72	1	285.351	1.798	3	3	4	CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nc[nH]n2)cc1
365624583	ZINC000617389074	ref	2.16	-19.11	0	291.307	0.447	2	4	4	O=C(CN1CCCNC1=O)NCc1cccc2c1OCO2
168365359	ZINC000332374569	ref	4.28	-40.94	1	238.335	1.244	1	4	6	CCC(CC)C[NH2+][C@H]1COC[C@H]1n1ccnn1
342599199	ZINC000616992872	ref	6.19	-40.01	1	268.401	1.792	2	2	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCO2)C1
282120736	ZINC000248956130	ref	3.09	-11.73	0	302.415	1.934	2	4	7	COC[C@H](C)CNC(=O)[C@@H](C)[C@H](C)NC(=O)OC(C)(C)C
349533392	ZINC000594964569	ref	5.16	-11.64	0	271.451	2.836	1	2	4	Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)cs1
349533396	ZINC000594964569	high	5.16	-11.64	0	271.451	2.836	1	3	4	Cc1cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)cs1
133427982	ZINC000306432656	ref	6.82	-48.37	1	192.306	2.601	1	1	2	N#C[C@H]1CC[C@H]([NH2+]C2CCCCC2)C1
185090562	ZINC000096081700	high	-0.71	-9.6	0	297.399	-0.456	1	5	4	CNC(=O)CN1CCO[C@H]2CN(CC3CCOCC3)C[C@H]21
282120745	ZINC000248958984	ref	1.43	-10.88	0	311.403	1.449	2	4	4	C[C@@H]1Cc2cc(S(=O)(=O)NC[C@H]3CC[C@@H](O)C3)ccc2O1
282120750	ZINC000248958496	ref	2.77	-11.14	0	320.433	1.555	2	4	8	CCC[C@@]1(C)C(=O)NCCN1C[C@@H](O)COCc1ccccc1
178294417	ZINC000237041160	ref	8.16	-59.75	-1	358.316	1.754	0	4	5	CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1
365624559	ZINC000576578295	ref	2.77	-41.27	1	237.29	1.553	2	2	6	CC(F)(F)CCC[NH2+]CC1(O)CCOCC1
365624578	ZINC000576560378	ref	7.7	-8.8	0	241.375	3.053	1	2	8	CCO[C@H](CC)C(=O)N[C@H](C)CCC=C(C)C
178294420	ZINC000237048420	ref	7.85	-52.39	1	355.446	1.252	3	6	6	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2
214177959	ZINC000337604938	high	0.2	-47.72	-1	265.248	0.044	1	4	4	CCN(CC(N)=O)C(=O)c1cc(F)cc2n[n-]nc12
299072448	ZINC000358088268	mid	7.07	-44.98	1	308.47	1.62	2	2	4	CC(C)CN1CCN(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1
214177964	ZINC000337602390	ref	5.66	-13.99	0	281.327	2.231	1	3	5	COc1ccc(C2CC(NC(=O)[C@H](C)OC)C2)cc1F
342599200	ZINC000616992872	mid	6.15	-39.21	1	268.401	1.792	2	2	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CCCO2)C1
178294422	ZINC000237053808	ref	7.72	-54.61	1	360.437	1.362	1	5	6	C[NH2+]CC1CCN(C(=O)[C@@H](Cc2ccc(F)cc2)n2nnnc2C)CC1
178294424	ZINC000237051359	ref	5.88	-62.66	-1	361.217	1.316	1	5	5	CN(CC(=O)NC1(C(=O)[O-])CC1)C(=O)c1ccc(Br)s1
178294426	ZINC000237039789	ref	5.96	-96.22	2	360.502	1.383	3	2	8	CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1
178294428	ZINC000237039789	mid	3.68	-56.9	1	360.502	1.383	2	3	8	CCN(CC)[C@@H](C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1
178294430	ZINC000237055359	ref	3.98	-63.11	1	361.467	1.979	2	3	6	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)[NH3+])c1
178294432	ZINC000237052764	ref	6.19	-54.25	1	351.501	1.753	1	4	5	C[NH2+]CC1CCN(C(=O)CN2C(=S)N=NC2c2cccs2)CC1
178294435	ZINC000237045021	ref	9.84	-56.12	-1	364.417	1.93	0	4	7	CCN(CCC(=O)[O-])C(=O)[C@@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
178294437	ZINC000237048639	ref	6.98	-51.65	1	357.462	1.359	3	6	8	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCC[C@@H]1CCC[NH2+]C1
178294439	ZINC000237042425	ref	2.9	-51.94	-1	357.457	1.366	1	7	7	CN(C)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1cccs1
178294441	ZINC000237042425	mid	5.37	-67.09	0	357.457	1.366	2	6	7	Cn1cc(S(=O)(=O)NC[C@H](c2cccs2)[NH+](C)C)cc1C(=O)[O-]
178294442	ZINC000237047394	ref	6.74	-50.57	1	351.878	1.927	1	2	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
178305618	ZINC000019394980	low	7.35	-91.87	2	217.316	2.392	1	1	4	Cc1cc2[nH+]cn(CCCC[NH3+])c2cc1C
398246983	ZINC000076779575	ref	4.1	-12.93	0	223.301	2.373	2	3	2	O=C(Nc1nccs1)N[C@H]1CC=CCC1
342599201	ZINC000616992850	ref	6.4	-42.88	1	295.427	1.235	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CN2CCCCC2=O)C1
214177960	ZINC000293483262	mid	6.75	-85.2	0	374.441	0.399	2	4	6	C[NH+]1CCN(C(=O)Cc2ccc(NC(=O)C(=O)[N-]OCC3CC3)cc2)CC1
282120733	ZINC000533447222	ref	5.55	-52.46	1	291.351	1.445	3	3	4	C[N@H+](CC(=O)NC(=O)Nc1ccccc1)C1CCOCC1
197598647	ZINC000162881953	ref	6.15	-51.05	1	309.479	2.824	1	3	5	CC[S@@](=O)[C@H]1CCC[C@H]([NH2+][C@@H](C)c2cnc(C)nc2C)C1
197598649	ZINC000162881953	high	5.7	-14.89	0	309.479	2.824	1	4	5	CC[S@@](=O)[C@H]1CCC[C@H](N[C@@H](C)c2cnc(C)nc2C)C1
342599202	ZINC000616992850	mid	6.45	-43.0	1	295.427	1.235	2	2	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CN2CCCCC2=O)C1
342599203	ZINC000590829341	ref	8.27	-46.62	1	287.363	1.276	2	2	2	C[N@@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1
342599204	ZINC000590829341	mid	8.27	-43.2	1	287.363	1.276	2	2	2	C[N@H+]1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1
290623180	ZINC000492526645	high	4.68	-47.75	-1	270.288	2.448	1	4	4	COc1ccc(/C=C\C(=O)Nc2ncccc2[O-])cc1
290623183	ZINC000492527323	ref	5.08	-13.4	0	256.309	2.084	1	4	3	Cc1ccc(/C=C/C(=O)Nc2cnn(C)c2C)nc1
197598663	ZINC000162880179	ref	3.91	-8.32	0	301.383	2.368	1	3	3	Cc1cc(F)ccc1S(=O)(=O)NC1C[C@@H](C)O[C@H](C)C1
342599205	ZINC000590829341	high	6.18	-14.72	0	287.363	1.276	1	3	2	CN1CCCN(C(=O)C[C@@H]2C(=O)Nc3ccccc32)CC1
222609237	ZINC000170629016	high	10.3	-11.62	0	366.505	3.97	1	3	7	CCc1ccc(OCC(=O)NC2CCN([C@@H](C)c3ccccc3)CC2)cc1
214177963	ZINC000293475671	ref	2.56	-19.75	0	357.432	0.259	2	6	6	COC(=O)c1ccc(C(=O)NC[C@H]2CCC[C@H]2NS(C)(=O)=O)n1C
365624560	ZINC000639790630	mid	4.23	-48.83	1	287.363	1.426	2	4	5	COC[C@H](O)C[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
342599206	ZINC000590829752	ref	3.91	-7.09	0	296.327	1.576	2	6	6	CNc1nc(C(=O)NCCOC(C)(C)C)ccc1[N+](=O)[O-]
365624566	ZINC000639790630	high	2.0	-13.48	0	287.363	1.426	1	5	5	COC[C@H](O)CN1CC[C@@H](c2ccc3cccnc3n2)C1
365624575	ZINC000354685813	ref	4.49	-45.86	1	281.4	1.036	2	2	5	CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1
365624587	ZINC000354685418	ref	4.44	-14.88	0	274.308	1.57	1	3	7	COCCN(C)C(=O)NCCSCC(F)(F)F
342599207	ZINC000616992847	ref	6.46	-42.2	1	295.427	1.235	2	2	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CN2CCCCC2=O)C1
349533399	ZINC000594966122	ref	5.34	-48.23	1	287.469	2.615	1	2	5	COC1(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)CCCCC1
398246986	ZINC000189764279	ref	4.15	-9.03	0	249.701	2.554	2	2	3	C[C@H](NC(=O)c1ccc[nH]1)c1ccc(Cl)cn1
398246995	ZINC000645407396	ref	3.37	-40.54	-1	239.344	1.099	1	4	5	CC#CC[C@@H](CO)N=c1nc(CCC)[n-]s1
365624564	ZINC000625041122	ref	4.76	-11.67	0	307.419	2.199	1	4	5	Cc1ncc(S(=O)(=O)N[C@H](C)[C@@H](C)c2ccccc2)n1C
365624573	ZINC000625039682	ref	6.04	-19.38	0	305.378	2.135	1	3	4	C[C@H](c1ccco1)N(C)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
398247002	ZINC000191989478	ref	8.87	-36.35	1	229.323	2.149	1	1	2	CO[C@@H]1CCC[N@H+](CC#Cc2ccccc2)C1
178294423	ZINC000020271040	ref	7.78	-5.86	0	219.715	4.32	0	1	1	Cc1cc2cc(C(C)C)ccc2nc1Cl
365624579	ZINC000625041288	ref	6.04	-19.21	0	305.422	2.33	2	2	5	O=C(NCCC1=CCCCC1)N[C@@H]1CCN(C2CCC2)C1=O
178294425	ZINC000002538816	ref	4.53	-5.07	0	215.174	3.342	1	2	0	Cc1cc2cc(C(F)(F)F)cc(N)c2o1
398247007	ZINC000191989478	mid	9.08	-34.69	1	229.323	2.149	1	1	2	CO[C@@H]1CCC[N@@H+](CC#Cc2ccccc2)C1
178294429	ZINC000340654807	ref	4.13	-21.57	0	241.25	2.717	2	3	2	Cc1cc2c[nH]nc2cc1NC(=O)c1ccoc1
365624586	ZINC000625040836	ref	5.05	-11.6	0	320.418	2.076	0	5	3	C[C@H]1CC[C@H](C)N(S(=O)(=O)c2cnnn2-c2ccccc2)C1
365624600	ZINC000625041538	ref	5.51	-7.24	0	317.477	2.275	1	3	5	Cc1ccccc1CN1CCN(CC(=O)NCC(C)(C)C)CC1
342084108	ZINC000625346262	ref	2.65	-8.59	0	268.329	1.206	1	2	3	C[C@H]1CN(S(=O)(=O)NC2CC2)C[C@H](C)C1(F)F
365624610	ZINC000625041538	mid	8.02	-38.2	1	317.477	2.275	2	2	5	Cc1ccccc1C[NH+]1CCN(CC(=O)NCC(C)(C)C)CC1
365624623	ZINC000625040704	ref	5.55	-16.98	0	321.808	2.293	2	2	4	O=C(NCc1ccc(Cl)cc1)N[C@H]1CCN(C2CCC2)C1=O
398247012	ZINC000191989478	mid	6.35	-5.72	0	229.323	2.149	0	2	2	CO[C@@H]1CCCN(CC#Cc2ccccc2)C1
178294431	ZINC000342198788	ref	7.67	-39.78	1	235.302	3.497	1	1	4	Cc1cc2cc(C[NH2+][C@H](C)CF)oc2cc1C
178294433	ZINC000342198788	mid	6.45	-6.33	0	235.302	3.497	1	2	4	Cc1cc2cc(CN[C@H](C)CF)oc2cc1C
398247018	ZINC000191995255	ref	7.92	-13.09	0	220.272	2.002	0	4	5	CC#CCCCC(=O)Oc1cnn(CC)c1
187169764	ZINC000125093112	ref	3.68	-15.22	0	290.363	1.189	2	3	4	CNC(=O)C(C)(C)CNC(=O)[C@H]1OCCc2ccccc21
178294438	ZINC000082373785	ref	5.49	-5.77	0	211.062	2.405	0	2	0	Cc1cc2cc(Br)ccn2n1
342084109	ZINC000032726137	ref	2.55	-17.05	0	290.323	1.131	2	4	5	CC1(C)NC(=O)N(CCCC(=O)Nc2ccncc2)C1=O
342084110	ZINC000625346370	ref	2.65	-7.62	0	270.345	1.452	1	2	3	CC(C)NS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
398246990	ZINC000651452883	ref	6.56	-40.16	1	260.381	3.083	1	2	4	C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)c1ccc(C)nc1C
282120734	ZINC000449149769	ref	7.8	-50.81	-1	291.347	2.025	0	4	5	C[C@H](COc1ccccc1)C(=O)N1CC[C@@](C)(C(=O)[O-])C1
214177962	ZINC000053336673	ref	7.29	-14.0	0	340.423	2.532	1	3	9	COc1ccccc1CCC(=O)N(CCC(N)=O)Cc1ccccc1
342599208	ZINC000616992847	mid	6.42	-41.38	1	295.427	1.235	2	2	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CN2CCCCC2=O)C1
342599209	ZINC000590828672	ref	6.55	-21.18	0	260.253	1.89	1	4	2	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CC(C#N)C1
136228652	ZINC000283248973	low	6.1	-39.71	1	205.261	0.659	1	2	4	CC#CC(=O)NC[C@@H](C)Cn1cc[nH+]c1
214177965	ZINC000053331137	ref	-0.05	-11.29	0	331.166	1.07	2	4	5	COc1cc(C(=O)N[C@@H](C)C(N)=O)cc(OC)c1Br
342599210	ZINC000590828858	ref	4.1	-11.9	0	257.309	1.449	1	3	5	CCC[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)OC
214177969	ZINC000053327597	ref	2.91	-10.2	0	328.796	1.987	2	4	7	COc1cc(C(=O)N[C@@H](C)C(N)=O)cc(Cl)c1OCC(C)C
214177972	ZINC000053352951	ref	3.91	-18.69	0	339.442	1.232	1	6	6	Cn1ccnc1SCC(=O)NCc1ccc(S(C)(=O)=O)cc1
398246994	ZINC000651452883	high	5.71	-4.59	0	260.381	3.083	1	3	4	C=C[C@@H]1OCCC[C@H]1N[C@H](C)c1ccc(C)nc1C
214177976	ZINC000053325131	ref	6.29	-20.0	0	335.473	2.761	2	4	7	CC(C)Sc1ncccc1C(=O)NCCC(=O)NC1CCCC1
214177981	ZINC000053338914	ref	5.15	-20.19	0	328.771	1.97	1	3	4	C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl
214177984	ZINC000053354741	ref	8.14	-16.28	0	339.424	3.316	1	6	5	C[C@H](Sc1nnnn1C)c1cccc(NC(=O)c2ccccc2)c1
342600638	ZINC000590851464	ref	2.82	-20.39	0	298.306	1.817	1	6	2	Cc1noc(-c2ccc(NC(=O)N3CC(C)(C#N)C3)cn2)n1
214177988	ZINC000053325049	ref	3.78	-12.19	0	346.387	2.138	2	5	4	Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N[C@H](C)C(N)=O)cc12
342600639	ZINC000616999745	ref	3.93	-37.8	1	270.417	1.774	3	2	5	CC(C)(O)CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
282120739	ZINC000449149798	ref	4.11	-45.9	1	255.333	2.331	2	2	7	CC[C@H](C)[C@H](O)C[NH2+]Cc1cc(F)cc(OC)c1
398246997	ZINC000651454100	ref	8.4	-7.27	0	250.386	3.151	1	1	1	C[C@H]1CCCN(C(=O)NC2CC3(CCC3)C2)CC1
342600640	ZINC000616999745	mid	3.88	-37.44	1	270.417	1.774	3	2	5	CC(C)(O)CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
349533400	ZINC000618807372	ref	5.3	-14.21	0	272.299	1.599	0	4	3	CN(Cc1cn(C)nn1)C(=O)[C@H]1CCCCC1(F)F
342600641	ZINC000616999723	ref	5.33	-43.53	1	286.416	1.276	2	3	8	COCCCOCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
178294440	ZINC000032099750	ref	8.45	-9.94	0	249.313	3.812	1	1	1	Cc1cc2cc(-c3ccccc3)c(=O)[nH]c2cc1C
398246991	ZINC000381278836	ref	3.81	-37.98	1	226.324	1.231	1	4	7	C[NH2+][C@H](C)c1cn(CCOCC(C)C)nn1
398246996	ZINC000381278836	mid	2.54	-7.99	0	226.324	1.231	1	5	7	CN[C@H](C)c1cn(CCOCC(C)C)nn1
136228653	ZINC000182805577	ref	7.57	-7.61	0	244.269	2.829	1	2	5	C#CCCCCC(=O)Nc1ccc(F)cc1C#N
214177966	ZINC000293476364	ref	2.9	-58.73	1	362.474	0.867	5	3	8	CNC(=O)NCCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1
230234986	ZINC000354805739	low	2.09	-46.57	1	288.344	-0.863	3	5	6	CCOC(=O)[C@@](C)(O)C[N@H+]1CCO[C@@H](CNC(C)=O)C1
136228654	ZINC000191590352	ref	4.44	-48.25	1	233.315	1.149	2	3	5	Cn1cc(C[NH2+]CC2(CO)CCC2)cc1C#N
230234997	ZINC000354812654	ref	2.39	-41.6	1	280.328	-0.781	2	5	4	CCn1cc(C(=O)C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cn1
230235004	ZINC000354812654	mid	-0.02	-9.41	0	280.328	-0.781	1	6	4	CCn1cc(C(=O)C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cn1
230235010	ZINC000354800802	ref	2.53	-8.87	0	270.329	-0.273	0	5	3	COC(=O)[C@H](C)CC(=O)N1C[C@H]2[C@@H](C1)OCCN2C
230235015	ZINC000354800802	low	4.8	-45.03	1	270.329	-0.273	1	4	3	COC(=O)[C@H](C)CC(=O)N1C[C@H]2[C@@H](C1)OCC[N@@H+]2C
230235022	ZINC000354800802	low	4.71	-44.78	1	270.329	-0.273	1	4	3	COC(=O)[C@H](C)CC(=O)N1C[C@H]2[C@@H](C1)OCC[N@H+]2C
230235027	ZINC000354677761	ref	1.68	-5.37	0	268.313	-0.33	1	4	1	C[C@@H]1OCC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CC[C@H](C1)O2
230235037	ZINC000354678037	ref	0.29	-45.03	1	269.345	-0.46	3	3	6	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCO1
230235045	ZINC000354819924	ref	3.0	-15.47	0	295.343	-0.572	1	6	4	CC(C)[C@H](NC(=O)c1ncn(C)n1)C(=O)N1CCOCC1
230235055	ZINC000354801299	ref	2.14	-37.71	1	285.388	-0.184	3	3	6	C[C@@H](O)CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCC1
230235057	ZINC000354801299	high	0.61	-5.93	0	285.388	-0.184	2	4	6	C[C@@H](O)CCN(C)C(=O)C(=O)NCC1(N(C)C)CCC1
230235064	ZINC000354800659	ref	2.26	-38.99	1	283.372	-0.26	3	3	5	C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCOC2)CCC1
230235070	ZINC000354800659	high	0.04	-6.4	0	283.372	-0.26	2	4	5	CN(C)C1(CNC(=O)C(=O)NC[C@@H]2CCOC2)CCC1
230235074	ZINC000354812652	ref	2.51	-42.37	1	280.328	-0.781	2	5	4	CCn1cc(C(=O)C(=O)N2C[C@H](O)[C@H]([NH+](C)C)C2)cn1
230235079	ZINC000354812652	mid	0.25	-11.52	0	280.328	-0.781	1	6	4	CCn1cc(C(=O)C(=O)N2C[C@H](O)[C@H](N(C)C)C2)cn1
230235085	ZINC000354773697	ref	3.78	-15.07	0	267.241	-0.689	1	7	5	COC(=O)C[C@H](NC(=O)c1cncnc1)C(=O)OC
230235094	ZINC000354790853	ref	3.44	-15.89	0	256.302	-0.077	1	4	4	COC(=O)[C@@H](C)CC(=O)N[C@H]1CCN(C(C)=O)C1
214177967	ZINC000337604737	ref	1.55	-10.31	0	282.34	0.95	1	5	8	CC(C)Oc1cncc(C(=O)N(C)CCOCCO)c1
342599211	ZINC000590830219	ref	5.46	-14.49	0	265.357	1.889	1	3	1	CC1(C)OCC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1
214177970	ZINC000337604780	ref	4.19	-24.0	0	276.344	0.453	2	5	3	Cn1cc2c(=NCCC(=O)NC(C)(C)C)ncnc-2[nH]1
214177973	ZINC000337604796	ref	7.97	-11.57	0	286.375	2.087	0	2	3	Cc1ccc(/C=C/CC(=O)N2CC(=O)N(C)[C@H](C)C2)cc1
214177975	ZINC000337604747	ref	6.89	-35.67	1	268.323	2.421	2	1	7	CC[NH+](CC)CC(=O)N[C@@H](CC(F)(F)F)C(C)C
214177978	ZINC000337604747	high	5.02	-8.52	0	268.323	2.421	1	2	7	CCN(CC)CC(=O)N[C@@H](CC(F)(F)F)C(C)C
214177980	ZINC000337602838	ref	5.89	-8.54	0	296.436	2.295	2	3	8	COC[C@H](Cc1ccccc1)NC(=O)NC[C@H](C)SC
214177983	ZINC000337604415	ref	7.18	-50.21	1	294.403	0.698	3	4	7	CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCCn1cncn1
214177985	ZINC000337604415	mid	7.33	-48.82	1	294.403	0.698	3	4	7	CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NCCn1cncn1
307041608	ZINC000364127130	ref	6.1	-34.11	1	300.443	1.569	1	4	7	CCOC(CN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OCC
214177990	ZINC000337602050	ref	3.59	-16.79	0	259.346	0.801	1	4	7	CCN(CCOCCO)C(=O)[C@H]1CCC(C)(C)O1
214177993	ZINC000337603350	ref	1.14	-9.16	0	259.346	0.66	1	4	7	CCC1(C(=O)N(C)CCOCCO)CCOCC1
214177996	ZINC000337605182	ref	3.15	-50.69	1	284.404	0.686	4	2	8	CC(C)NC(=O)CCNC(=O)NCCC[NH+]1CCCC1
214177998	ZINC000337603959	ref	5.95	-13.55	0	265.263	3.02	1	3	4	C[C@@H](C(=O)Nc1cccc(C(F)F)c1)n1cccn1
214178002	ZINC000337604019	ref	7.78	-9.74	0	288.366	2.345	1	2	3	O=C([C@@H]1C[C@H]1C1CC1)N1CCN[C@@H](c2cccc(F)c2)C1
178294444	ZINC000237047394	high	6.41	-12.07	0	351.878	1.927	1	3	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)Cc2ccccc2Cl)CC1
214178004	ZINC000337604019	low	8.88	-55.0	1	288.366	2.345	1	1	3	O=C([C@@H]1C[C@H]1C1CC1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1
187169765	ZINC000125099351	ref	4.4	-5.9	0	258.163	2.462	1	3	5	C=C(Br)CN[C@H](C)c1cnn(CC)c1
214178017	ZINC000337605413	ref	1.0	-16.03	0	297.351	0.413	2	5	9	C[C@H](Oc1cccc(CO)c1)C(=O)N(C)CCOCCO
214178020	ZINC000337604769	ref	0.49	-20.53	0	269.268	-0.168	3	5	3	NC(=O)c1ccc(CN=c2ncnc3[nH][nH]cc2-3)cn1
342599212	ZINC000616993415	ref	2.9	-36.29	1	265.357	1.833	2	3	3	Cc1ocnc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599213	ZINC000616993415	mid	2.91	-36.7	1	265.357	1.833	2	3	3	Cc1ocnc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
282120737	ZINC000533447222	mid	5.55	-52.49	1	291.351	1.445	3	3	4	C[N@@H+](CC(=O)NC(=O)Nc1ccccc1)C1CCOCC1
398246992	ZINC000076778295	ref	5.69	-10.14	0	238.356	2.868	2	2	4	CSC[C@H](C)NC(=O)Nc1ccc(C)cc1
214177968	ZINC000293476364	high	0.57	-19.99	0	362.474	0.867	4	4	8	CNC(=O)NCCC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1
214177971	ZINC000293476888	ref	3.45	-15.1	0	361.406	0.912	1	8	3	Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C)c2C)no1
365624574	ZINC000122128215	ref	6.67	-12.08	0	285.347	2.196	1	4	2	C[C@H]1OCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2
178294447	ZINC000285604738	ref	7.32	-39.38	1	216.328	3.222	2	0	4	Cc1cc2cc(C[NH2+]CC(C)C)ccc2[nH]1
214177974	ZINC000293483423	ref	4.06	-13.57	0	351.407	0.086	1	7	3	CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@H](C)N(C)[C@H](C)C1
214177977	ZINC000293483423	mid	5.97	-42.86	1	351.407	0.086	2	6	3	CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@H](C)[N@H+](C)[C@H](C)C1
214177979	ZINC000293483423	mid	6.37	-42.52	1	351.407	0.086	2	6	3	CCOC(=O)c1cn(C)nc1NC(=O)C(=O)N1C[C@H](C)[N@@H+](C)[C@H](C)C1
214177982	ZINC000293483475	ref	4.21	-11.62	0	356.43	0.816	1	6	3	C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@@H](C)N1C
214177986	ZINC000293483475	mid	6.41	-42.8	1	356.43	0.816	2	5	3	C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@@H](C)[N@@H+]1C
365624598	ZINC000122064071	ref	2.58	-12.26	0	293.373	2.054	1	5	4	C[C@@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccsc1
178294450	ZINC000342198789	ref	7.66	-40.36	1	235.302	3.497	1	1	4	Cc1cc2cc(C[NH2+][C@@H](C)CF)oc2cc1C
214177989	ZINC000293483475	mid	6.01	-43.11	1	356.43	0.816	2	5	3	C[C@H]1CN(C(=O)C(=O)Nc2ccn(Cc3ccncc3)n2)C[C@@H](C)[N@H+]1C
214177992	ZINC000293487117	ref	-1.54	-18.08	0	352.294	0.609	2	6	5	Cn1cc(S(=O)(=O)NCc2ccc(C(N)=O)o2)c(C(F)(F)F)n1
365624613	ZINC000122174040	ref	8.94	-48.6	1	286.379	2.344	2	3	5	Cc1cccc(NC(=O)[C@H]2CCC[N@H+](CCCC#N)C2)n1
300271644	ZINC000366075378	low	5.06	-39.37	1	252.314	1.445	1	4	2	C[C@H]1C[N@H+](Cc2ccon2)CC2(CCOCC2)O1
178294452	ZINC000342198789	mid	6.47	-8.08	0	235.302	3.497	1	2	4	Cc1cc2cc(CN[C@@H](C)CF)oc2cc1C
185090571	ZINC000096081267	ref	1.33	-14.06	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCO)[nH]n1
365624628	ZINC000122174040	mid	8.74	-54.53	1	286.379	2.344	2	3	5	Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](CCCC#N)C2)n1
398247000	ZINC000097159390	ref	5.16	-49.75	1	245.33	1.469	2	3	5	Cc1n[nH]cc1C[NH2+]Cc1ccc(N(C)C)nc1
342599214	ZINC000590840166	ref	4.56	-45.52	1	290.363	1.556	2	3	4	NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H]1COc2ccccc2O1
214177991	ZINC000053337439	ref	2.87	-20.77	0	337.426	1.289	1	6	6	CS(=O)(=O)c1ccc(CNC(=O)CSc2ncccn2)cc1
214177994	ZINC000053326753	ref	11.36	-17.52	0	329.429	2.471	0	6	6	Cc1cccc(N(CCC#N)C(=O)CSc2nncn2C)c1C
365624576	ZINC000274326759	mid	3.47	-37.93	1	294.399	1.157	2	5	6	CCOc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@H](CC)C2)ncn1
342599215	ZINC000590840166	mid	4.89	-42.39	1	290.363	1.556	2	3	4	NC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1COc2ccccc2O1
214177997	ZINC000053355375	ref	7.88	-16.24	0	336.304	1.197	0	6	3	CC(=O)N1CCCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1
214178001	ZINC000053329184	ref	2.34	-13.62	0	335.585	1.471	2	3	5	C[C@H](NC(=O)COc1ccc(Br)cc1Cl)C(N)=O
214178003	ZINC000053355481	ref	7.72	-13.08	0	342.399	1.111	0	5	2	CCn1nc(C(=O)N2CCCN(C(C)=O)CC2)c2ccccc2c1=O
214178008	ZINC000053346479	ref	7.24	-13.86	0	343.814	2.447	1	3	5	O=C(NCCc1cccnc1)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O
214178011	ZINC000053353909	ref	7.02	-24.73	0	340.383	1.578	0	6	5	Cc1cc(CN2CCN(C(=O)COc3ccccc3C#N)CC2)on1
214178015	ZINC000053340239	ref	4.67	-18.28	0	344.44	1.81	1	5	4	Cc1nc(CC(=O)NC2CCN(C(=O)c3ccncc3)CC2)cs1
214178018	ZINC000053322634	ref	7.03	-9.15	0	326.437	1.921	2	4	5	COC(=O)C1(NC(=O)CNC(=O)CC(C)(C)C)CCCCCC1
214178021	ZINC000053354842	ref	5.16	-15.52	0	334.42	0.886	0	5	3	CC(=O)N1CCC[C@@H](C(=O)N2CCN(Cc3cc(C)no3)CC2)C1
342599216	ZINC000590840166	high	2.74	-10.06	0	290.363	1.556	1	4	4	NC(=O)C[C@@H]1CCCCN1C[C@H]1COc2ccccc2O1
342599217	ZINC000590829962	ref	4.48	-11.52	0	271.336	1.695	1	3	5	CC[C@H](C)[C@H](CNC(=O)N1CC[C@@](F)(C#N)C1)OC
398246993	ZINC000650865593	ref	5.07	-42.76	1	296.459	1.356	3	2	4	CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C
398246999	ZINC000650865593	mid	4.62	-43.47	1	296.459	1.356	3	2	4	CN1CC[N@@H+](C)C[C@@H]1CNC(=O)N[C@@H]1C[C@H]1CC(C)(C)C
214178024	ZINC000053338671	ref	5.1	-13.1	0	337.379	2.079	1	4	3	O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(Cc2ccco2)CC1
214178027	ZINC000053338671	low	7.32	-51.4	1	337.379	2.079	2	3	3	O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[NH+](Cc2ccco2)CC1
349533402	ZINC000594964682	ref	3.91	-13.76	0	275.801	2.712	1	2	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1
365624584	ZINC000274326759	mid	1.29	-5.89	0	294.399	1.157	1	6	6	CCOc1cc(N2CCN(C[C@@H](C)O)[C@H](CC)C2)ncn1
178294446	ZINC000237041340	ref	8.96	-64.43	-1	357.41	1.872	1	4	4	Cc1ccc2cc(C(=O)N(C)CC(=O)N3CCC[C@H](C(=O)[O-])C3)[nH]c2c1
178294448	ZINC000237052805	ref	2.88	-62.27	1	359.879	1.347	2	3	5	CN(CC(=O)NC1CCC([NH3+])CC1)S(=O)(=O)c1ccc(Cl)cc1
178294449	ZINC000237040128	ref	7.28	-88.82	2	356.474	1.503	3	4	6	Cc1c(C(=O)NCc2ccccc2C[NH+](C)C)nnn1C1CC[NH2+]CC1
214177995	ZINC000293487117	mid	-2.05	-42.93	-1	352.294	0.609	1	6	5	Cn1cc(S(=O)(=O)[N-]Cc2ccc(C(N)=O)o2)c(C(F)(F)F)n1
214177999	ZINC000293482400	ref	4.32	-14.68	0	374.397	0.638	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(-c2ccnn2C)ccc1C)OC
370645387	ZINC000356292218	ref	8.29	-37.83	1	282.428	2.134	1	2	7	CC[C@H]1C[C@H](CC(=O)N(CC[NH+](C)C)C2CC2)CCO1
370645392	ZINC000356292218	high	5.78	-7.82	0	282.428	2.134	0	3	7	CC[C@H]1C[C@H](CC(=O)N(CCN(C)C)C2CC2)CCO1
370645396	ZINC000356294400	ref	6.39	-43.79	1	279.384	2.067	3	2	8	CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C(C)=O)[nH]1
365624597	ZINC000274324908	ref	6.23	-50.88	1	291.395	1.997	1	3	3	Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@@]2(CC[NH2+]C2)C1
365624608	ZINC000274327850	ref	2.64	-11.87	0	291.225	1.616	2	4	4	COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cccc(O)c1
214178000	ZINC000293476199	ref	7.42	-24.6	0	360.389	0.329	1	6	5	Cn1c(=O)ccn(CC(=O)NC[C@@H]2CCN(c3ccccc3F)C2)c1=O
214178005	ZINC000293477593	ref	0.95	-11.23	0	360.407	0.53	1	6	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C)CCO2)c(F)cc1C
214178006	ZINC000293477593	low	2.95	-48.8	1	360.407	0.53	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCO2)c(F)cc1C
214178009	ZINC000293477593	low	3.38	-48.3	1	360.407	0.53	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCO2)c(F)cc1C
214178010	ZINC000293477593	high	0.87	-46.79	-1	360.407	0.53	0	6	5	COC(=O)c1cc(S(=O)(=O)[N-]C[C@H]2CN(C)CCO2)c(F)cc1C
282120738	ZINC000426445260	ref	8.11	-84.3	2	265.401	1.023	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1
342084111	ZINC000625345371	ref	3.65	-50.1	1	294.302	1.038	1	5	4	O=C(NCC(F)(F)F)[C@H]1CCN(Cc2cnns2)C1
214178016	ZINC000293480533	ref	3.6	-16.19	0	353.488	0.9	0	5	7	Cc1cncc(CCC(=O)N(CCN(C)C)[C@@H]2CCS(=O)(=O)C2)c1
214178019	ZINC000293480533	mid	6.08	-62.77	1	353.488	0.9	1	4	7	Cc1cncc(CCC(=O)N(CC[NH+](C)C)[C@@H]2CCS(=O)(=O)C2)c1
214178022	ZINC000293476560	ref	0.2	-19.64	0	371.459	0.989	3	5	10	CCCCOc1cccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)c1
214178026	ZINC000293479134	ref	1.64	-15.09	0	374.401	0.277	3	8	5	COc1ccc(NC(=O)C(=O)NC[C@]2(O)CCC[C@@H]2C)cc1-n1cnnn1
398246998	ZINC000649444413	ref	6.77	-7.74	0	234.274	2.933	0	3	3	CCOc1ccc(F)cc1-c1cnn(C)c1C
398247003	ZINC000649444373	ref	5.34	-8.44	0	201.269	2.314	1	1	1	C=C(C)c1cc(C)cc2c1CCNC2=O
398247008	ZINC000649444487	ref	6.49	-8.71	0	245.326	2.968	0	4	2	Cc1c(-c2cccc(OC(C)(C)C)n2)cnn1C
342599218	ZINC000616993156	ref	6.2	-40.22	1	256.39	1.648	2	2	5	CC(C)OCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
214178029	ZINC000293486229	ref	4.51	-10.63	0	368.361	0.857	2	6	8	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1)OC
214178032	ZINC000293482608	ref	5.4	-16.34	0	366.381	0.26	1	7	1	Cc1cc(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)cn2ccnc12
214178035	ZINC000293482608	mid	5.9	-38.71	1	366.381	0.26	1	6	1	Cc1cc(NC(=O)C(=O)N2CCc3nn(C)c(=O)cc3C2)cn2cc[nH+]c12
214178038	ZINC000293478856	ref	1.68	-12.26	0	353.16	0.106	1	5	6	COCCN(CCO)C(=O)c1cnn(C)c1I
214178041	ZINC000293483763	ref	1.17	-29.88	0	355.398	0.758	4	4	6	NC(=O)CCNC(=O)c1ccc(NC(=O)[C@H]2CCc3n[nH]cc3C2)cc1
214178044	ZINC000293482492	ref	0.83	-9.72	0	371.459	0.254	1	7	6	CC[C@@H](CO)N1CCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1
214178046	ZINC000293482492	low	2.65	-44.92	1	371.459	0.254	2	6	6	CC[C@@H](CO)[NH+]1CCN(S(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1
214178049	ZINC000293476601	ref	4.79	-11.7	0	365.171	0.954	1	5	5	CCOC(=O)[C@H](C)CNC(=O)c1c(I)cnn1C
365624585	ZINC000576554026	ref	3.85	-7.57	0	243.31	2.502	2	3	3	Cc1ccc2c(c1)[C@H](N[C@H](C)c1cn[nH]c1)CO2
365624590	ZINC000576554026	mid	4.84	-42.32	1	243.31	2.502	2	2	3	Cc1ccc2c(c1)[C@H]([NH2+][C@H](C)c1cn[nH]c1)CO2
214178052	ZINC000293487480	ref	0.76	-16.46	0	368.499	0.752	2	5	8	O=S(=O)(CC[C@@H]1CCOC1)NC[C@@H](O)CN1CCc2ccccc2C1
214178054	ZINC000293487480	mid	2.95	-55.15	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@@H]1CCOC1)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1
342599219	ZINC000616993156	mid	6.2	-40.8	1	256.39	1.648	2	2	5	CC(C)OCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599220	ZINC000590830030	ref	5.06	-21.08	0	282.307	1.469	1	5	2	Cn1cc(-c2ncccc2NC(=O)N2CC(C#N)C2)cn1
398247011	ZINC000649444489	ref	6.97	-5.61	0	218.296	3.278	0	2	4	C=C(C)c1ccc(OC[C@H]2CCCO2)cc1
365624588	ZINC000172841580	high	3.1	-10.35	0	262.353	1.653	1	3	4	CNC(=O)[C@@H]1CCCN(Cc2ccc(OC)cc2)C1
365624602	ZINC000643087932	ref	7.46	-11.19	0	294.399	1.84	0	6	7	CCN(c1nnc(COC)n1C[C@@H]1CCOC1)C1CCC1
365624615	ZINC000172843431	ref	7.1	-12.24	0	278.377	1.868	1	3	4	Cc1cccc(O[C@H](C)CN2C(=O)[C@@H](C)NC2=S)c1
178294451	ZINC000237040128	high	5.06	-50.31	1	356.474	1.503	2	5	6	Cc1c(C(=O)NCc2ccccc2CN(C)C)nnn1C1CC[NH2+]CC1
136228655	ZINC000191590352	high	3.14	-7.75	0	233.315	1.149	2	4	5	Cn1cc(CNCC2(CO)CCC2)cc1C#N
365624626	ZINC000172836147	ref	2.61	-14.81	0	296.754	1.36	2	3	5	C[C@@H](CNC(=O)[C@H]1CNC(=O)C1)Oc1cccc(Cl)c1
290623182	ZINC000423566193	ref	5.5	-52.2	1	321.465	1.468	1	2	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H](C)[C@](C)(C[NH3+])C3)C2)C1
365624637	ZINC000172843234	ref	7.05	-37.17	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[nH]n1
365624649	ZINC000172843234	mid	7.24	-38.96	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[nH]n1
365624658	ZINC000172843234	mid	7.24	-33.83	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n[nH]1
282120740	ZINC000192702795	high	8.11	-9.37	0	334.46	3.199	2	4	8	CCC(CC)(CN[C@@H](C)C(=O)Nc1c(C)cccc1C)C(=O)OC
136228656	ZINC000182801049	ref	2.85	-7.99	0	248.326	1.984	3	2	6	C=CC[C@H](CO)NC(=O)N[C@@H](C)c1ccccc1
136228657	ZINC000191593813	ref	2.38	-39.84	1	238.335	1.06	2	4	6	C=CC[C@@H](CO)[NH2+]Cc1cn(C(C)(C)C)nn1
365624667	ZINC000172843234	mid	7.39	-36.19	1	278.4	1.918	2	2	5	CCc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)n[nH]1
365624677	ZINC000189235635	ref	3.54	-14.09	0	267.369	1.516	2	3	6	CC(=O)[C@@H]1C[C@H](C(=O)NCC2(CCO)CC2)C1(C)C
342084112	ZINC000625345371	mid	3.65	-51.21	1	294.302	1.038	2	4	4	O=C(NCC(F)(F)F)[C@H]1CC[N@H+](Cc2cnns2)C1
185090574	ZINC000096081267	mid	1.46	-14.38	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@H]3[C@@H]2CC(=O)N3CCO)n[nH]1
365624688	ZINC000172842802	ref	6.27	-25.58	0	292.383	1.324	1	4	4	CC(C)[C@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
282120743	ZINC000494748152	ref	9.01	-34.89	1	307.434	3.332	1	3	9	CCC(CC)(C[NH2+][C@@H](C)[C@@H](OC)c1ccccc1)C(=O)OC
282120760	ZINC000453206312	ref	6.06	-40.96	1	301.427	2.139	1	4	8	CCC(CC)(C[NH2+][C@@H](C)C1(OC)CCOCC1)C(=O)OC
187169766	ZINC000125099351	mid	5.63	-39.86	1	258.163	2.462	1	2	5	C=C(Br)C[NH2+][C@H](C)c1cnn(CC)c1
365624704	ZINC000172843342	ref	6.17	-25.35	0	292.383	1.468	1	4	4	CCC(C)(C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
214178023	ZINC000337604769	high	0.33	-31.52	-1	269.268	-0.168	2	5	3	NC(=O)c1ccc(CN=c2ncnc3[nH][n-]cc2-3)cn1
214178025	ZINC000337603571	ref	4.39	-15.86	0	270.279	2.343	2	2	3	O=C(NCC1CCC(F)(F)CC1)c1ccc[nH]c1=O
178294453	ZINC000237048094	ref	8.28	-50.11	1	357.462	1.311	2	6	7	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@@H](C[NH2+]C)C1
178294455	ZINC000237048802	ref	4.85	-50.52	1	352.523	1.009	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1
178294457	ZINC000237048802	high	4.53	-12.03	0	352.523	1.009	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@@H](C)C2)CC1
178294459	ZINC000237055636	ref	7.36	-45.0	1	357.458	1.777	2	4	5	C[NH2+]C[C@H]1CCCN(C(=O)C=Cc2cc3cnn(C(C)C)c3[nH]c2=O)C1
214178028	ZINC000337604885	ref	3.02	-6.04	0	290.363	2.154	3	3	3	CC(C)(C)c1ccc(NC(=O)C(=O)NCC2CC2)c(O)c1
214178030	ZINC000337604885	high	3.78	-45.12	-1	290.363	2.154	2	3	3	CC(C)(C)c1ccc(NC(=O)C(=O)NCC2CC2)c([O-])c1
214178033	ZINC000337604248	ref	9.17	-8.26	0	285.387	3.115	0	2	4	CN(C[C@@H]1OCCc2ccccc21)C(=O)C[C@@H]1C=CCC1
214178036	ZINC000337605829	ref	4.51	-9.37	0	260.337	2.021	2	2	3	O=C(NC1CC(c2ccccc2)C1)N[C@@H]1CCOC1
214178039	ZINC000337604069	ref	0.71	-17.51	0	264.281	0.345	2	5	6	CN(CCOCCO)C(=O)c1ccc(C#N)c(O)c1
214178042	ZINC000337604069	mid	1.49	-54.96	-1	264.281	0.345	1	5	6	CN(CCOCCO)C(=O)c1ccc(C#N)c([O-])c1
214178043	ZINC000337603974	ref	6.66	-11.02	0	290.407	2.147	1	3	5	CCc1ccc([C@@H]2CN(C(=O)[C@@H](CC)OC)CCN2)cc1
214178045	ZINC000337603974	mid	7.76	-54.32	1	290.407	2.147	1	2	5	CCc1ccc([C@@H]2CN(C(=O)[C@@H](CC)OC)CC[NH2+]2)cc1
214178048	ZINC000337602966	ref	6.39	-40.56	1	285.457	2.056	3	2	6	CCS[C@@H]1CCC[C@H](NC(=O)NCC[NH+]2CCC2)C1
214178050	ZINC000337602966	mid	3.2	-8.92	0	285.457	2.056	2	3	6	CCS[C@@H]1CCC[C@H](NC(=O)NCCN2CCC2)C1
214178053	ZINC000337605423	ref	-1.08	-49.32	-1	292.23	-0.254	2	6	4	O=C(NCCc1nc(=O)o[n-]1)c1cc(F)cc2n[nH]nc12
178305621	ZINC000065454995	ref	6.53	-12.34	0	239.282	2.015	1	5	1	Cc1cc2ncn(-c3cnc(N)cn3)c2cc1C
342084113	ZINC000625345371	mid	3.65	-50.1	1	294.302	1.038	2	4	4	O=C(NCC(F)(F)F)[C@H]1CC[N@@H+](Cc2cnns2)C1
214178056	ZINC000337605423	high	-1.29	-93.38	-2	292.23	-0.254	1	6	4	O=C(NCCc1nc(=O)o[n-]1)c1cc(F)cc2nn[n-]c12
342084114	ZINC000608900175	ref	5.3	-45.4	1	262.338	1.959	1	4	5	CSCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1
342599221	ZINC000616993339	ref	5.92	-40.32	1	256.39	1.648	2	2	5	CC[C@@H](OC)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599222	ZINC000616993339	mid	5.94	-40.93	1	256.39	1.648	2	2	5	CC[C@@H](OC)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599223	ZINC000590830001	ref	6.03	-17.3	0	268.382	1.709	1	4	5	N#C[C@]1(NC(=O)COCC2CCCC2)CCSC1
214178031	ZINC000053327097	ref	3.77	-11.69	0	334.807	1.805	2	4	5	Cc1ccc(Cn2nc(C)c(C(=O)N[C@H](C)C(N)=O)c2Cl)cc1
214178034	ZINC000053326153	ref	10.73	-12.84	0	348.447	2.675	1	5	6	Cn1cnnc1SCC(=O)NCC1(c2ccc(F)cc2)CCCC1
214178037	ZINC000053347691	ref	5.04	-14.42	0	334.416	1.621	1	4	6	COc1ccc(OC)c(CCNC(=O)[C@@H]2CCCN(C(C)=O)C2)c1
214178040	ZINC000053340878	ref	8.94	-43.72	1	326.278	3.786	1	1	7	CC[NH2+]C[C@H](Cc1ccccc1Br)C[C@H]1CCCO1
214178047	ZINC000053344753	ref	7.13	-95.72	2	346.338	2.628	2	2	7	CCC[NH+]1CCN(CC[NH2+]Cc2cc(Br)cs2)CC1
214178051	ZINC000053344753	high	4.73	-43.05	1	346.338	2.628	1	3	7	CCCN1CCN(CC[NH2+]Cc2cc(Br)cs2)CC1
187169767	ZINC000125096129	ref	6.79	-43.84	1	288.725	2.442	2	1	2	C[NH+]1CCC(NC(=O)c2cc(F)c(Cl)cc2F)CC1
168365710	ZINC000019265529	ref	3.38	-35.69	1	192.222	-0.157	1	4	2	C[C@@H]([NH3+])Cn1nc2ccccn2c1=O
214178055	ZINC000053333039	ref	8.9	-19.82	0	334.485	3.456	1	3	6	Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(C)C2CCCC2)cc1
214178058	ZINC000053350877	ref	3.32	-15.16	0	343.387	0.411	1	5	3	CN1N=C(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)CCC1=O
192037475	ZINC000273073643	ref	4.37	-17.79	0	292.379	2.486	2	3	6	CC(C)OCCCC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21
187169768	ZINC000125096129	high	4.4	-7.96	0	288.725	2.442	1	2	2	CN1CCC(NC(=O)c2cc(F)c(Cl)cc2F)CC1
214178061	ZINC000053327503	ref	4.46	-13.15	0	329.425	2.453	2	4	5	Cc1ccc(Sc2ncccc2C(=O)N[C@@H](C)C(N)=O)c(C)c1
214178068	ZINC000053348664	ref	7.78	-50.14	1	335.407	2.39	3	2	6	C[N@H+](CCNC(=O)c1cc2ccccc2c(=O)[nH]1)Cc1ccccc1
214178080	ZINC000053348664	mid	7.77	-50.12	1	335.407	2.39	3	2	6	C[N@@H+](CCNC(=O)c1cc2ccccc2c(=O)[nH]1)Cc1ccccc1
214178081	ZINC000053348664	high	5.44	-11.17	0	335.407	2.39	2	3	6	CN(CCNC(=O)c1cc2ccccc2c(=O)[nH]1)Cc1ccccc1
282120741	ZINC000449149798	high	2.76	-4.49	0	255.333	2.331	2	3	7	CC[C@H](C)[C@H](O)CNCc1cc(F)cc(OC)c1
342599224	ZINC000590830235	ref	4.12	-11.16	0	255.293	1.201	1	3	1	CC1(C)OCC[C@@H]1NC(=O)N1CC[C@@](F)(C#N)C1
214178057	ZINC000337605423	high	-1.23	-92.84	-2	292.23	-0.254	1	6	4	O=C(NCCc1nc(=O)o[n-]1)c1cc(F)cc2[n-]nnc12
214178060	ZINC000337605423	high	-1.09	-92.87	-2	292.23	-0.254	1	6	4	O=C(NCCc1nc(=O)o[n-]1)c1cc(F)cc2n[n-]nc12
214178062	ZINC000337603366	ref	4.17	-11.79	0	251.326	3.166	2	3	6	CCCC[C@H](C)C(=O)Nc1ccc(OC)c(O)c1
214178073	ZINC000337605373	ref	0.53	-15.84	0	281.312	0.121	2	5	7	CC(=O)Nc1ccc(C(=O)N(C)CCOCCO)nc1
214178074	ZINC000337603829	ref	3.64	-13.64	0	298.387	2.353	1	5	7	CO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H](C)CC(C)C)n1
214178075	ZINC000337605419	ref	8.68	-39.22	1	290.382	2.486	1	1	2	Cc1ccccc1[C@]1(F)CCN(C(=O)[C@H]2CCC[N@H+]2C)C1
214178076	ZINC000337605419	mid	8.98	-36.9	1	290.382	2.486	1	1	2	Cc1ccccc1[C@]1(F)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1
342599225	ZINC000590840162	ref	4.89	-42.64	1	290.363	1.556	2	3	4	NC(=O)C[C@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc2O1
342599226	ZINC000590840162	mid	4.89	-36.41	1	290.363	1.556	2	3	4	NC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc2O1
214178077	ZINC000337605419	mid	6.93	-11.55	0	290.382	2.486	0	2	2	Cc1ccccc1[C@]1(F)CCN(C(=O)[C@H]2CCCN2C)C1
214178079	ZINC000337604692	ref	-0.09	-25.07	0	266.297	-0.134	2	4	7	CN(CCOCCO)C(=O)c1cccc(C(N)=O)c1
214178086	ZINC000337603986	ref	6.8	-12.22	0	290.407	2.147	1	3	5	CCO[C@@H](C)C(=O)N1CCN[C@H](c2ccc(CC)cc2)C1
214178088	ZINC000337603986	mid	8.1	-54.01	1	290.407	2.147	1	2	5	CCO[C@@H](C)C(=O)N1CC[NH2+][C@H](c2ccc(CC)cc2)C1
214178090	ZINC000337603222	ref	-0.57	-15.34	0	285.344	-1.0	1	5	7	CC(=O)CCC(=O)N1CCO[C@H](CN(C)CC(N)=O)C1
214178092	ZINC000337603222	low	1.78	-45.12	1	285.344	-1.0	2	4	7	CC(=O)CCC(=O)N1CCO[C@H](C[N@@H+](C)CC(N)=O)C1
214178095	ZINC000337603222	low	1.77	-43.77	1	285.344	-1.0	2	4	7	CC(=O)CCC(=O)N1CCO[C@H](C[N@H+](C)CC(N)=O)C1
365624592	ZINC000641592141	ref	2.02	-8.52	0	287.385	1.006	0	5	2	Cc1noc(C)c1S(=O)(=O)N1CCN(C)C(C)(C)C1
342599227	ZINC000590840162	high	2.49	-12.56	0	290.363	1.556	1	4	4	NC(=O)C[C@H]1CCCCN1C[C@@H]1COc2ccccc2O1
300271648	ZINC000366075378	low	4.82	-39.27	1	252.314	1.445	1	4	2	C[C@H]1C[N@@H+](Cc2ccon2)CC2(CCOCC2)O1
214178098	ZINC000337603739	ref	7.21	-9.82	0	287.407	2.393	2	2	5	C[C@@H](CNC(=O)NC[C@H]1C[C@H]1C)N1CCc2ccccc21
214178099	ZINC000337602696	ref	-0.2	-17.11	0	268.404	0.041	2	4	7	CNS(=O)(=O)CCNC(=O)C(C)(C)CSC
342599228	ZINC000616992927	ref	3.79	-36.38	1	268.386	1.388	2	4	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2csnn2)C1
282120742	ZINC000533447222	high	3.2	-19.62	0	291.351	1.445	2	4	4	CN(CC(=O)NC(=O)Nc1ccccc1)C1CCOCC1
282120747	ZINC000533445747	ref	5.75	-45.27	1	283.759	1.784	2	3	4	C[N@H+](CC(=O)Nc1ccc(Cl)cn1)C1CCOCC1
365624596	ZINC000617387540	ref	4.38	-17.75	0	292.339	0.508	0	6	4	CC(=O)c1cn(CC(=O)N2CCO[C@@](C)(C3CC3)C2)nn1
365624607	ZINC000617390578	ref	1.15	-16.2	0	265.313	0.948	0	5	3	Cc1nnc(CC(=O)N2CCO[C@](C)(C3CC3)C2)o1
365624622	ZINC000617389826	ref	4.37	-18.08	0	287.381	0.591	0	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCCS2(=O)=O)CCO1
365624632	ZINC000617388860	ref	1.92	-16.65	0	269.345	0.461	2	3	4	C[C@@H](CC(=O)N1CCO[C@](C)(C2CC2)C1)NC(N)=O
365624641	ZINC000617387925	ref	1.66	-11.51	0	283.368	0.803	1	4	3	C[C@]1(C2CC2)CN(C(=O)C2(CO)CCOCC2)CCO1
214178059	ZINC000293487480	mid	2.93	-55.71	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@@H]1CCOC1)NC[C@@H](O)C[N@H+]1CCc2ccccc2C1
365624654	ZINC000617388166	ref	2.59	-17.45	0	267.329	0.038	1	3	2	CN1C[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)NC1=O
214178063	ZINC000293475990	ref	4.96	-11.83	0	374.449	0.513	0	8	4	CCn1nc(C)c(C(=O)N2CCN(C(=O)c3nn(CC)nc3C)[C@@H](C)C2)n1
342599229	ZINC000616992927	mid	3.84	-36.48	1	268.386	1.388	2	4	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2csnn2)C1
185090575	ZINC000096080880	ref	7.91	-47.03	1	276.38	2.134	1	2	3	Cc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C(C)C)C[C@@H]3C2)o1
214178064	ZINC000293482763	ref	6.87	-13.63	0	366.422	0.53	1	7	1	Cc1nc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C)nn1C
365624664	ZINC000617388832	ref	5.32	-8.16	0	251.326	0.906	0	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1
214178065	ZINC000293484760	ref	8.2	-47.39	1	356.43	0.843	3	5	5	Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)nn1C
365624672	ZINC000617389576	ref	7.42	-22.56	0	294.355	0.359	0	6	5	Cn1cnnc1COCC(=O)N1CCO[C@@](C)(C2CC2)C1
214178066	ZINC000293484760	mid	8.99	-44.55	1	356.43	0.843	3	5	5	Cc1nc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)nn1C
342599230	ZINC000590840164	ref	5.06	-44.4	1	290.363	1.556	2	3	4	NC(=O)C[C@H]1CCCC[N@@H+]1C[C@H]1COc2ccccc2O1
342599231	ZINC000590840164	mid	4.72	-36.22	1	290.363	1.556	2	3	4	NC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1COc2ccccc2O1
365624682	ZINC000617390144	ref	-0.16	-22.67	0	287.275	0.772	3	4	4	NC(=O)c1cc(C(=O)NCc2cccc3c2OCO3)c[nH]1
365624687	ZINC000617388244	ref	2.39	-9.7	0	252.314	0.15	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCNC2=O)CCO1
365624599	ZINC000641592141	low	3.96	-45.44	1	287.385	1.006	1	4	2	Cc1noc(C)c1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365624604	ZINC000641592141	low	4.2	-45.45	1	287.385	1.006	1	4	2	Cc1noc(C)c1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365624614	ZINC000641591587	ref	3.32	-12.74	0	298.408	1.529	1	4	8	CC(C)OCCS(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
342599232	ZINC000590840164	high	2.64	-10.39	0	290.363	1.556	1	4	4	NC(=O)C[C@H]1CCCCN1C[C@H]1COc2ccccc2O1
197598687	ZINC000162880943	ref	3.25	-40.98	1	302.216	2.277	1	3	4	COCCn1ncc(Br)c1[C@H]1CCCC[C@H]1[NH3+]
342599233	ZINC000590830076	ref	4.49	-17.64	0	295.14	1.562	1	3	1	Cc1nccc(NC(=O)N2CC(C#N)C2)c1Br
342599234	ZINC000590840078	ref	6.96	-32.8	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@H+]3C[C@H](C(N)=O)CC[C@@H]3C)nc12
365624624	ZINC000641591624	ref	1.88	-9.17	0	272.37	1.303	0	4	2	Cc1ccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)o1
365624634	ZINC000641591624	low	4.0	-43.33	1	272.37	1.303	1	3	2	Cc1ccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)o1
365624640	ZINC000641591624	low	4.07	-43.05	1	272.37	1.303	1	3	2	Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)o1
365624647	ZINC000641591912	ref	1.61	-12.93	0	267.712	1.181	2	3	2	O=C(Cc1ccc(O)c(Cl)c1)N1C[C@@H]2C[C@]2(O)C1
342599235	ZINC000590840078	mid	6.12	-37.02	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@@H+]3C[C@H](C(N)=O)CC[C@@H]3C)nc12
365624653	ZINC000641591912	mid	2.38	-53.07	-1	267.712	1.181	1	3	2	O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@@H]2C[C@]2(O)C1
365624661	ZINC000641591552	ref	4.95	-9.23	0	263.724	1.573	1	2	1	O=C([C@@H]1Cc2ccc(Cl)cc21)N1C[C@@H]2C[C@]2(O)C1
365624668	ZINC000641591941	ref	2.55	-12.49	0	289.257	1.056	1	4	2	C[C@H](C(=O)N1C[C@H]2C[C@@]2(O)C1)n1ccc(C(F)(F)F)n1
365624676	ZINC000479744505	ref	2.23	-6.48	0	272.389	1.649	3	3	4	CC(C)[C@H](NC(=O)N[C@@H]1CCO[C@@H](C)C1)C(C)(C)O
365624689	ZINC000641591635	ref	4.36	-9.93	0	296.436	1.851	0	3	3	Cc1ccccc1CS(=O)(=O)N1CCN(C)C(C)(C)C1
342599236	ZINC000590840078	mid	5.32	-14.62	0	286.379	1.729	1	4	3	Cc1cccn2cc(CN3C[C@H](C(N)=O)CC[C@@H]3C)nc12
365624696	ZINC000641591635	low	6.41	-46.3	1	296.436	1.851	1	2	3	Cc1ccccc1CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
342599237	ZINC000590831619	ref	7.0	-17.39	0	265.357	1.889	1	3	4	COC[C@@H]1CCCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1
365624700	ZINC000641591635	low	6.55	-44.45	1	296.436	1.851	1	2	3	Cc1ccccc1CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365624709	ZINC000641592196	ref	3.42	-13.79	0	298.408	1.529	1	4	8	COCC[C@@H](C)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365639412	ZINC000336555889	mid	5.56	-38.57	1	265.426	2.369	1	3	2	Cc1ncc(CN2CC[C@@]3(CCC[N@H+](C)C3)C2)s1
214178067	ZINC000293484760	mid	6.75	-14.01	0	356.43	0.843	2	6	5	Cc1nc(NC(=O)C(=O)NC[C@@H]2CCCN2Cc2ccccc2)nn1C
214178069	ZINC000293480532	ref	3.61	-17.82	0	353.488	0.9	0	5	7	Cc1cncc(CCC(=O)N(CCN(C)C)[C@H]2CCS(=O)(=O)C2)c1
214178070	ZINC000293480532	mid	6.1	-67.27	1	353.488	0.9	1	4	7	Cc1cncc(CCC(=O)N(CC[NH+](C)C)[C@H]2CCS(=O)(=O)C2)c1
349533404	ZINC000618810228	ref	6.31	-18.96	0	276.315	1.716	0	4	4	C[C@H](C(=O)N(C)Cc1cn(C)nn1)c1ccccc1F
214178071	ZINC000293485983	ref	5.02	-23.78	0	359.386	0.769	2	6	4	COC(=O)c1ccc(C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2=O)[nH]1
342599238	ZINC000616993169	ref	4.51	-40.98	1	264.373	1.568	3	2	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)[nH]n1
214178072	ZINC000293480936	ref	1.92	-22.72	0	373.45	0.505	1	5	6	O=C(c1cc(F)c[nH]1)N(CCCN1CCOCC1)[C@H]1CCS(=O)(=O)C1
214178078	ZINC000293482672	ref	5.72	-8.15	0	354.432	0.745	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCS[C@@H](C(C)C)C1
214178082	ZINC000293487490	ref	0.6	-16.2	0	368.499	0.752	2	5	8	O=S(=O)(CC[C@@H]1CCOC1)NC[C@H](O)CN1CCc2ccccc2C1
214178083	ZINC000293487490	mid	2.87	-56.37	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@@H]1CCOC1)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1
185090577	ZINC000096080880	mid	8.16	-45.67	1	276.38	2.134	1	2	3	Cc1ccc(C[N@@H+]2C[C@@H]3CN(C(=O)C(C)C)C[C@@H]3C2)o1
214178085	ZINC000293487490	mid	2.96	-55.9	1	368.499	0.752	3	4	8	O=S(=O)(CC[C@@H]1CCOC1)NC[C@H](O)C[N@H+]1CCc2ccccc2C1
214178089	ZINC000293485255	ref	6.71	-11.94	0	352.391	0.734	0	8	4	COC(=O)[C@H]1CCN(C(=O)c2nnn(C(C)C)c2C)[C@H](C(=O)OC)C1
342599239	ZINC000616993169	mid	4.44	-40.64	1	264.373	1.568	3	2	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)[nH]n1
214178091	ZINC000293486228	ref	4.44	-10.14	0	368.361	0.857	2	6	8	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(F)cc1OCC1CC1)OC
185090578	ZINC000096080880	high	5.33	-10.76	0	276.38	2.134	0	3	3	Cc1ccc(CN2C[C@H]3CN(C(=O)C(C)C)C[C@H]3C2)o1
214178094	ZINC000293476867	ref	1.44	-11.76	0	364.187	0.654	2	4	3	Cn1ncc(C(=O)N[C@H](C(N)=O)C(C)(C)C)c1I
342599240	ZINC000590830690	ref	7.96	-22.08	0	275.308	1.284	1	4	4	CC#CCN(C)C(=O)Nc1cccc(CC(=O)OC)n1
342599241	ZINC000590830356	ref	5.8	-20.84	0	293.323	1.05	1	5	5	CCOC1CN(C(=O)Nc2cccc(CC(=O)OC)n2)C1
398249350	ZINC000651464026	ref	9.89	-6.81	0	267.438	3.167	0	2	2	CC1(C)CN(C(=O)[C@@H]2C[C@H]2C2CCCC2)CCS1
365624603	ZINC000379911179	ref	1.85	-52.69	1	214.265	-0.064	2	3	4	COC(=O)C[C@@H](C)NC(=O)C1([NH3+])CCC1
214178084	ZINC000053327551	ref	5.94	-15.1	0	348.406	2.451	2	4	5	Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H](C)C(N)=O
342599242	ZINC000590840150	ref	5.92	-33.94	1	298.184	1.911	2	3	5	CC[N@H+](CCO)Cc1cn2cc(Br)ccc2n1
342599243	ZINC000590840150	mid	5.94	-33.57	1	298.184	1.911	2	3	5	CC[N@@H+](CCO)Cc1cn2cc(Br)ccc2n1
290623186	ZINC000492527811	ref	6.17	-19.88	0	290.319	2.151	1	4	6	O=C(/C=C/c1ccccc1[N+](=O)[O-])NCC[C@@H]1CCOC1
197598698	ZINC000162892229	ref	5.06	-42.1	1	304.232	2.223	1	3	6	COCCn1ncc(Br)c1CC[NH2+]C(C)(C)C
214178087	ZINC000053350641	ref	5.47	-17.28	0	337.455	2.485	1	8	4	CN(C(=O)CSc1nnc(N)s1)c1nc2ccccc2s1
282120744	ZINC000151592881	ref	6.04	-13.11	0	315.417	2.426	3	2	6	CNC(=O)c1ccc(CNC(=O)NCC2(C3CC3)CCC2)cc1
214178093	ZINC000053338917	ref	5.05	-19.02	0	328.771	1.97	1	3	4	C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl
214178096	ZINC000053352550	ref	10.81	-15.24	0	337.448	4.526	1	4	5	C[C@@H](Sc1nccn1C)c1cccc(NC(=O)c2ccccc2)c1
365624605	ZINC000639790628	ref	4.42	-48.5	1	287.363	1.426	2	4	5	COC[C@H](O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365624611	ZINC000639790628	mid	4.2	-51.76	1	287.363	1.426	2	4	5	COC[C@H](O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1
214178101	ZINC000053355367	ref	9.16	-15.96	0	332.444	2.95	0	3	6	CCCCCOc1ccc(C(=O)N2CCCN(C(C)=O)CC2)cc1
295666614	ZINC000412990065	ref	7.9	-8.85	0	316.155	2.874	0	5	2	CC1(C)CCC[C@H](n2cc(Br)c([N+](=O)[O-])n2)C1=O
342599244	ZINC000590840150	mid	3.74	-7.79	0	298.184	1.911	1	4	5	CCN(CCO)Cc1cn2cc(Br)ccc2n1
365624617	ZINC000639790628	high	1.67	-14.17	0	287.363	1.426	1	5	5	COC[C@H](O)CN1CC[C@H](c2ccc3cccnc3n2)C1
342599245	ZINC000616993170	ref	4.51	-40.21	1	264.373	1.568	3	2	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)[nH]n1
282120754	ZINC000151599164	ref	5.93	-15.92	0	310.438	2.102	1	3	7	COCCC1(C(=O)NCCC(=O)N2CCCCCC2)CCC1
365624633	ZINC000354685708	ref	6.26	-43.19	1	276.384	1.782	3	2	6	C[C@H](C[NH+](C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1
282120763	ZINC000151601855	ref	6.52	-7.62	0	311.769	2.044	1	5	3	COC(=O)C1(NC(=O)c2nc(C)ncc2Cl)CCCCC1
342599246	ZINC000616993170	mid	4.51	-40.72	1	264.373	1.568	3	2	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)[nH]n1
342599247	ZINC000590831542	ref	4.5	-16.53	0	251.33	1.501	1	3	2	C[C@@]1(C#N)CCCN(C(=O)NC[C@H]2CCCO2)C1
214178100	ZINC000337603311	ref	2.36	-17.8	0	292.335	0.191	2	4	7	CN(CCOCCO)C(=O)Cc1ccc2c(c1)NC(=O)C2
214178105	ZINC000337604038	ref	4.17	-38.45	1	274.368	0.649	2	3	2	C[N@@H+]1CCC[C@H]1C(=O)N1CCN[C@H](c2cccnc2)C1
342599248	ZINC000590830919	ref	7.12	-19.31	0	291.351	1.965	2	4	6	CC[C@@H]1C[C@H]1CNC(=O)Nc1cccc(CC(=O)OC)n1
342599249	ZINC000590829991	ref	2.65	-10.11	0	270.314	1.001	2	6	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cnns1
342599250	ZINC000590830498	ref	7.16	-20.57	0	277.324	1.813	1	4	4	CC[C@H]1CCN1C(=O)Nc1cccc(CC(=O)OC)n1
342599251	ZINC000590830749	ref	6.28	-19.13	0	277.324	1.885	2	4	6	CC/C=C/CNC(=O)Nc1cccc(CC(=O)OC)n1
398247001	ZINC000651453265	ref	8.14	-11.15	0	285.391	3.261	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]1c1cccnc1
398247005	ZINC000651454099	ref	8.43	-7.33	0	250.386	3.151	1	1	1	C[C@@H]1CCCN(C(=O)NC2CC3(CCC3)C2)CC1
398247009	ZINC000651453034	ref	8.78	-10.27	0	270.376	3.476	1	1	2	O=C(NC1CC2(CCC2)C1)N1CC[C@@H]1c1ccccc1
197598708	ZINC000162882322	ref	8.51	-15.6	0	312.373	1.581	0	5	5	C[C@H](C1CC1)N(C(=O)Cn1cnc2cnccc2c1=O)C1CC1
342599252	ZINC000616993074	ref	8.54	-46.61	1	292.427	1.9	2	3	6	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCCn2ccnc2)C1
365624606	ZINC000623054902	ref	4.66	-38.7	1	321.425	1.668	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cn1
342599253	ZINC000616993074	mid	8.5	-45.87	1	292.427	1.9	2	3	6	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCn2ccnc2)C1
365624616	ZINC000623054296	ref	1.98	-42.55	1	324.837	1.585	2	4	4	O=C(NCCN1CC[NH2+]CC1)c1nc2cc(Cl)ccc2s1
365624621	ZINC000623054053	ref	4.42	-52.56	1	309.366	1.54	2	4	4	COc1cc(NC(=O)N2CCC[NH2+]CC2)cc(OC)c1OC
259308840	ZINC000187713738	mid	9.52	-31.19	1	235.371	3.324	1	1	8	CCC[C@@H](C)[N@@H+](C)CCOCc1ccccc1
398247014	ZINC000651454580	ref	8.06	-6.25	0	250.386	3.293	1	1	1	C[C@H]1CCCCCN1C(=O)NC1CC2(CCC2)C1
178294458	ZINC000075621000	ref	4.94	-12.73	0	211.673	3.071	0	3	1	Cc1cc2cc(C=O)c(Cl)nc2s1
178294460	ZINC000288362775	ref	6.19	-8.96	0	249.285	3.137	1	2	3	Cc1cc2cc(C(=O)N[C@@H](C)CF)oc2cc1C
398249351	ZINC000651463621	ref	6.05	-10.99	0	289.4	3.265	1	3	5	CCc1cccc(CNc2ccc(S(C)(=O)=O)cc2)c1
342599254	ZINC000616993074	low	9.05	-79.28	2	292.427	1.9	2	2	6	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1
365624627	ZINC000623054053	high	3.06	-13.0	0	309.366	1.54	2	5	4	COc1cc(NC(=O)N2CCCNCC2)cc(OC)c1OC
178294461	ZINC000237039784	ref	7.74	-52.17	-1	358.394	1.944	1	5	9	CCN(CCC(=O)[O-])C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccco1
214178102	ZINC000053326480	ref	4.69	-17.45	0	335.367	1.538	2	5	5	C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(N)=O
214178103	ZINC000053354805	ref	4.34	-17.02	0	342.355	1.442	3	5	6	COC(=O)CNC(=O)c1cccc(NC(=O)c2cc(C3CC3)[nH]n2)c1
178294463	ZINC000237051911	ref	3.41	-54.1	1	374.528	1.241	1	4	7	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(CS(C)(=O)=O)cc2)CC1
178294464	ZINC000237048976	ref	5.85	-39.74	1	372.513	1.225	2	3	7	CN(CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Cc1ccccc1
178294466	ZINC000237048976	mid	8.13	-89.74	2	372.513	1.225	3	2	7	C[N@H+](CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Cc1ccccc1
178294467	ZINC000237048976	mid	8.13	-89.89	2	372.513	1.225	3	2	7	C[N@@H+](CC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Cc1ccccc1
365624612	ZINC000379911179	high	1.65	-12.15	0	214.265	-0.064	2	4	4	COC(=O)C[C@@H](C)NC(=O)C1(N)CCC1
178294469	ZINC000237053577	ref	9.97	-57.28	-1	364.417	1.93	0	4	7	CCN(CCC(=O)[O-])C(=O)[C@H]1CCCN(C(=O)Cc2ccc(F)cc2)C1
342599255	ZINC000616993074	low	9.02	-78.99	2	292.427	1.9	2	2	6	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2)C1
185090582	ZINC000096081294	ref	6.38	-13.83	0	274.32	1.505	0	3	3	O=C(c1ccco1)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1
349533406	ZINC000594964682	high	3.91	-13.76	0	275.801	2.712	1	3	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1
214178104	ZINC000053332895	ref	5.13	-12.74	0	328.409	2.091	0	3	4	CN(C(=O)c1cc(S(=O)(=O)N(C)C)ccc1F)C1CCCC1
365624625	ZINC000576561037	ref	8.58	-7.14	0	241.4	2.775	0	2	3	CCC[C@@H]1C[C@H]1C(=O)N1C[C@H](C)S[C@H](C)C1
214178125	ZINC000053354998	ref	8.61	-13.9	0	339.439	2.359	0	4	4	Cc1cc(CN2CCN(C(=O)Cc3ccc4c(c3)CCC4)CC2)on1
178305624	ZINC000048248878	ref	7.2	-15.46	0	247.367	2.89	1	3	3	Cc1cc2ncn([C@H](C)CC(N)=S)c2cc1C
214178130	ZINC000053355387	ref	9.46	-14.21	0	338.407	3.173	0	3	3	CC(=O)N1CCCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1
214178135	ZINC000053332377	ref	9.59	-8.6	0	327.428	3.067	0	4	4	CC(C)Cn1nc(C(=O)N(C)C2CCCC2)c2ccccc2c1=O
349533408	ZINC000594965073	ref	4.12	-17.55	0	299.411	2.614	1	2	5	COc1ccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c(F)c1
185090585	ZINC000096081284	ref	7.8	-46.55	1	260.337	1.865	1	2	4	O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccoc2)N1CC1CC1
349536015	ZINC000258968022	ref	5.95	-8.6	0	230.311	2.479	1	3	6	CCOc1ccc(CNCC2(C#N)CC2)cc1
342084115	ZINC000608900175	mid	4.84	-12.59	0	262.338	1.959	1	5	5	CSCCC(=O)Nc1cnn(-c2ccncc2)c1
370645391	ZINC000119113405	ref	7.63	-42.51	1	288.435	3.484	1	1	4	CCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1c1cccc(C)c1C
365624620	ZINC000274327850	high	3.4	-53.93	-1	291.225	1.616	1	4	4	COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1
365624631	ZINC000274326624	ref	1.41	-41.65	1	270.76	1.401	3	2	6	C[C@@H](CC(N)=O)[NH2+]C[C@](C)(O)c1cccc(Cl)c1
214178106	ZINC000293475874	ref	0.33	-21.89	0	371.397	0.045	4	4	3	O=C1CNC(=O)c2ccc(C(=O)N3CC[C@H](NC(=O)NC4CC4)C3)cc2N1
214178111	ZINC000293478863	ref	6.0	-17.88	0	359.434	0.832	1	7	5	Cc1c(C(=O)NCCC(=O)N2CCCCCC2)nnn1-c1ccn(C)n1
370645398	ZINC000119113405	high	7.32	-5.39	0	288.435	3.484	1	2	4	CCC[C@H](N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C
365624646	ZINC000274325041	ref	3.81	-18.96	0	298.412	1.255	2	5	7	CC(C)OCCNC(=O)NCCc1cn2c(n1)SCC2
282120746	ZINC000449149834	ref	7.39	-38.82	1	278.318	2.318	1	1	7	C[C@H]([NH2+]C1CC1)C(=O)N(CCC(F)(F)F)CC1CC1
214178113	ZINC000293477931	ref	0.82	-15.91	0	370.471	0.878	3	5	7	CC[C@H](NC(=O)C(=O)Nc1ccc(CCS(C)(=O)=O)cc1)C(C)(C)O
214178116	ZINC000293475676	ref	2.28	-18.39	0	357.432	0.259	2	6	6	COC(=O)c1ccc(C(=O)NC[C@H]2CCC[C@@H]2NS(C)(=O)=O)n1C
214178118	ZINC000293476884	ref	3.54	-15.42	0	361.406	0.912	1	8	3	Cc1nc(Cn2nnc(NC(=O)C(=O)N3CCC[C@H](C)[C@H]3C)c2C)no1
214178120	ZINC000293485242	ref	7.48	-16.26	0	352.391	0.734	0	8	4	COC(=O)[C@@H]1C[C@H](C(=O)OC)CCN1C(=O)c1nnn(C(C)C)c1C
214178121	ZINC000293477248	ref	5.86	-16.1	0	373.409	0.812	2	6	6	COC(=O)c1cc(NC(=O)C(=O)N(C)C[C@H](O)Cc2ccccc2)cn1C
214178129	ZINC000293482652	ref	-0.43	-18.92	0	357.432	0.599	3	5	9	CCCOc1ccccc1NC(=O)C(=O)NCCCCS(N)(=O)=O
214178134	ZINC000293479730	ref	-0.33	-18.26	0	372.447	0.592	3	5	7	CCOc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)N[C@@H](C)C(=O)NC
136228658	ZINC000191593813	mid	1.29	-9.65	0	238.335	1.06	2	5	6	C=CC[C@@H](CO)NCc1cn(C(C)(C)C)nn1
178294462	ZINC000001810625	ref	7.33	-10.29	0	243.306	2.81	0	2	0	Cc1cc2c3c(c1)[C@@H](C)CC(C)(C)N3C(=O)C2=O
342084116	ZINC000625346267	ref	4.45	-7.78	0	296.383	1.939	0	2	2	C[C@H]1CCCN1S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084117	ZINC000625346305	ref	4.4	-7.24	0	284.372	1.796	0	2	4	CCCN(C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342599256	ZINC000590830702	ref	3.05	-20.83	0	295.339	1.078	3	5	6	CC[C@@H](NC(=O)Nc1cccc(CC(=O)OC)n1)[C@H](C)O
342599257	ZINC000590840075	ref	6.66	-32.55	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@H+]3C[C@H](C(N)=O)CC[C@H]3C)nc12
185090587	ZINC000096081284	mid	7.41	-46.14	1	260.337	1.865	1	2	4	O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccoc2)N1CC1CC1
185090589	ZINC000096081284	high	4.96	-7.75	0	260.337	1.865	0	3	4	O=C1C[C@H]2[C@@H](CCN2Cc2ccoc2)N1CC1CC1
342599258	ZINC000590840075	mid	6.44	-36.47	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@@H+]3C[C@H](C(N)=O)CC[C@H]3C)nc12
214178107	ZINC000337604038	mid	3.98	-39.91	1	274.368	0.649	2	3	2	C[N@H+]1CCC[C@H]1C(=O)N1CCN[C@H](c2cccnc2)C1
342599259	ZINC000590840075	mid	4.05	-13.9	0	286.379	1.729	1	4	3	Cc1cccn2cc(CN3C[C@H](C(N)=O)CC[C@H]3C)nc12
214178108	ZINC000337604038	low	5.44	-101.74	2	274.368	0.649	2	2	2	C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1
342599260	ZINC000616993318	ref	6.23	-44.48	1	278.4	1.428	2	3	4	Cc1cnn(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1
185090593	ZINC000096081406	ref	8.3	-45.59	1	294.439	1.993	1	2	4	COCC[N@@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1
185090595	ZINC000096081406	mid	8.16	-41.86	1	294.439	1.993	1	2	4	COCC[N@H+]1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1
185090597	ZINC000096081406	high	6.24	-7.01	0	294.439	1.993	0	3	4	COCCN1CC[C@H]2CN(C(=O)C3CCCCC3)C[C@H]2C1
185090599	ZINC000096081689	ref	1.44	-5.79	0	262.357	0.705	1	4	4	c1cc(CN2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)n[nH]1
230235014	ZINC000336807740	ref	-2.95	-52.34	1	272.305	-1.857	5	4	3	CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1
230235021	ZINC000336807740	mid	-2.62	-52.49	1	272.305	-1.857	5	4	3	CNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1
230235026	ZINC000336807740	mid	-4.86	-22.58	0	272.305	-1.857	4	5	3	CNC(=O)NC(=O)[C@H](C)N1CCC[C@@](O)(C(N)=O)C1
230235033	ZINC000336817760	ref	-1.9	-14.62	0	298.361	-1.287	2	6	10	CCOC[C@H](O)CNS(=O)(=O)N(C)CCC(=O)OC
230235041	ZINC000333120601	ref	-4.32	-16.25	0	291.373	-1.485	2	5	5	C[C@@H]1OCC[C@H]1S(=O)(=O)NCCN1CCNC(=O)C1
230235049	ZINC000334433190	ref	0.58	-11.19	0	271.342	-1.043	2	4	2	O=C1CN(C(=O)C(=O)NC[C@H]2CCCS2)CCN1
230235062	ZINC000336786851	ref	-3.49	-15.18	0	277.346	-1.361	2	4	3	NC(=O)[C@@]1(O)CCCN(S(=O)(=O)N2CCCC2)C1
230235067	ZINC000336742503	ref	0.36	-64.95	-1	252.292	-1.141	1	5	7	CNS(=O)(=O)CC(=O)N(C)CCCC(=O)[O-]
230235078	ZINC000336834376	ref	-2.13	-48.84	1	286.332	-1.467	5	4	4	CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1
214178109	ZINC000337604038	low	5.24	-103.45	2	274.368	0.649	2	2	2	C[N@H+]1CCC[C@H]1C(=O)N1CC[NH2+][C@H](c2cccnc2)C1
178294465	ZINC000035325042	ref	7.99	-7.95	0	204.229	2.703	0	3	1	Cc1cc2cc(C)n(C)c2cc1[N+](=O)[O-]
178294468	ZINC000000482556	ref	4.26	-5.64	0	234.295	2.488	1	3	0	Cc1cc2c3c(c1)OC(C)(C)C[C@H]3O[C@@H](O)C2
178294470	ZINC000237811314	ref	2.58	-50.33	1	232.283	1.738	2	2	3	Cc1cc2cc(C(=O)NCC[NH3+])oc2cc1C
214178110	ZINC000337604038	high	1.93	-11.69	0	274.368	0.649	1	4	2	CN1CCC[C@H]1C(=O)N1CCN[C@H](c2cccnc2)C1
214178112	ZINC000337605495	ref	7.65	-15.67	0	263.337	2.251	0	3	4	COc1cc(C)ccc1OCC(=O)N1CC[C@H](C)C1
214178114	ZINC000337602123	ref	9.71	-84.52	2	297.487	2.441	2	1	7	CC[NH+](CC)CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1
214178115	ZINC000337602123	mid	7.64	-39.6	1	297.487	2.441	1	2	7	CCN(CC)CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1
178294473	ZINC000261508071	ref	5.83	-5.27	0	246.054	3.517	1	0	0	Cc1cc2cc(Br)c(F)c(F)c2[nH]1
214178117	ZINC000337604213	ref	6.29	-45.08	1	287.473	2.157	3	2	6	CC(C)C[C@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1
214178119	ZINC000337604213	high	4.32	-7.2	0	287.473	2.157	2	3	6	CC(C)C[C@H](C)NC(=O)NC[C@]1(N(C)C)CCSC1
214178122	ZINC000337604180	ref	8.44	-6.49	0	276.424	3.445	2	1	4	O=C(NCC1(C2CC2)CC1)N[C@@H]1CC[C@@H]2CCC[C@H]2C1
398247004	ZINC000650865593	mid	2.8	-6.11	0	296.459	1.356	2	3	4	CN1CCN(C)[C@@H](CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C1
214178123	ZINC000337604161	ref	10.01	-10.26	0	289.419	3.284	0	2	6	CCC1(C)CCN(C(=O)COCCc2ccccc2)CC1
214178124	ZINC000337604396	ref	7.64	-12.83	0	265.353	2.307	0	3	6	CCOCC(=O)N(C)Cc1cc(C)c(OC)c(C)c1
178294478	ZINC000004061454	ref	7.18	-9.53	0	244.338	2.759	1	2	3	Cc1cc2cc(CNC(=O)C(C)C)ccc2n1C
214178126	ZINC000337603899	ref	2.99	-9.95	0	285.29	2.211	2	3	5	O=C(Cc1ccccc1O)N[C@H]1CCC[C@@H]1OC(F)F
214178128	ZINC000337602924	ref	4.07	-14.53	0	293.367	0.763	1	5	7	CN(CCOCCO)C(=O)c1cc(N2CCCC2)ccn1
214178131	ZINC000337605896	ref	6.98	-10.83	0	295.371	3.488	2	5	3	Cc1ccc2[nH]c(CNc3ncnc4sccc34)nc2c1
214178133	ZINC000337605896	mid	6.97	-10.5	0	295.371	3.488	2	5	3	Cc1ccc2nc(CNc3ncnc4sccc34)[nH]c2c1
178294481	ZINC000113728605	ref	5.47	-29.87	1	237.1	2.888	1	1	0	Cc1cc2cc(Br)ccc2c(N)[nH+]1
214178137	ZINC000337603137	ref	5.25	-12.36	0	271.401	2.06	1	3	7	CCN(CCOCCO)C(=O)[C@@H]1CCCC(C)(C)C1
214178140	ZINC000337605855	ref	7.37	-9.19	0	290.411	3.238	2	3	4	CC[C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(N(C)C)nc1
214178127	ZINC000278477489	ref	4.95	-14.48	0	312.369	2.779	1	4	3	Cc1cnccc1OC1CCN(C(=O)c2cccc(O)c2)CC1
342599261	ZINC000616993318	mid	6.23	-45.31	1	278.4	1.428	2	3	4	Cc1cnn(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1
214178132	ZINC000278477489	mid	5.4	-45.86	1	312.369	2.779	1	3	3	Cc1c[nH+]ccc1OC1CCN(C(=O)c2cccc(O)c2)CC1
299072450	ZINC000358088268	mid	7.13	-44.74	1	308.47	1.62	2	2	4	CC(C)CN1CCN(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)CC1
214178136	ZINC000278477489	high	5.7	-55.66	-1	312.369	2.779	0	4	3	Cc1cnccc1OC1CCN(C(=O)c2cccc([O-])c2)CC1
342599262	ZINC000590830493	ref	6.07	-19.59	0	277.324	1.861	2	4	5	CCC1(NC(=O)Nc2cccc(CC(=O)OC)n2)CC1
398247006	ZINC000650865593	low	4.9	-39.42	1	296.459	1.356	3	2	4	CN1CC[N@H+](C)[C@@H](CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C1
214178138	ZINC000278477154	ref	7.08	-49.84	1	302.426	1.529	1	5	4	Cc1nn(C)c(C)c1C[NH2+][C@H]1CCCN(c2ccnn2C)C1
197598726	ZINC000162880836	ref	1.83	-13.39	0	315.196	2.47	2	5	3	Cc1cnc([C@H](C)Nc2cn[nH]c(=O)c2Br)s1
214178142	ZINC000278477154	high	5.92	-10.1	0	302.426	1.529	1	6	4	Cc1nn(C)c(C)c1CN[C@H]1CCCN(c2ccnn2C)C1
214178147	ZINC000278477728	ref	3.96	-14.48	0	312.373	1.668	2	4	5	O=C(NCc1cccnn1)N(CCO)[C@H]1CCc2ccccc21
214178152	ZINC000278477519	ref	2.94	-49.62	1	318.186	2.219	2	2	5	OCC[C@@]1([NH2+]Cc2ccc(F)c(Br)c2)CCOC1
214178155	ZINC000278477519	high	1.87	-7.08	0	318.186	2.219	2	3	5	OCC[C@@]1(NCc2ccc(F)c(Br)c2)CCOC1
342599263	ZINC000590830227	ref	6.96	-8.26	0	291.311	1.796	1	6	6	CNc1nc(C(=O)N(CCC#N)C(C)C)ccc1[N+](=O)[O-]
214178158	ZINC000278476348	ref	6.56	-12.97	0	320.267	2.655	1	4	5	COC(C)(C)C(=O)NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1
214178162	ZINC000278478056	ref	8.66	-44.63	1	317.477	3.158	2	3	4	CC1=C[C@H](C)C[C@@H](C[NH+]2CCC([C@H](O)c3nccn3C)CC2)C1
342599264	ZINC000590830554	ref	7.95	-22.11	0	289.335	1.813	1	4	4	COC(=O)Cc1cccc(NC(=O)N2CC[C@H]2C2CC2)n1
398247013	ZINC000650865593	low	4.33	-40.75	1	296.459	1.356	3	2	4	CN1CC[N@@H+](C)[C@@H](CNC(=O)N[C@@H]2C[C@H]2CC(C)(C)C)C1
290623187	ZINC000336511089	ref	4.83	-9.52	0	290.367	1.397	1	4	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3cnn(C)c3)C2)C1
342599265	ZINC000590830002	ref	6.05	-16.32	0	268.382	1.709	1	4	5	N#C[C@@]1(NC(=O)COCC2CCCC2)CCSC1
342599266	ZINC000616993464	ref	7.18	-80.97	2	269.433	1.565	3	1	6	CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
178294471	ZINC000237048934	ref	4.05	-61.78	1	365.499	1.813	1	3	4	CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1
343994541	ZINC000599271381	low	6.68	-40.29	1	298.408	1.022	2	5	6	CCOC(=O)[C@H]1CSCC[N@H+]1C[C@@H](O)CC1(C#N)CC1
343994545	ZINC000599272967	ref	4.99	-11.19	0	290.367	1.903	1	5	5	CC(C)C[C@H](C#N)NC(=O)c1ccn(C2CCOCC2)n1
343994549	ZINC000599272504	ref	2.56	-20.6	0	298.364	1.66	1	5	5	Cc1oc(C(=O)N[C@@H](C#N)CC(C)C)cc1S(C)(=O)=O
214178139	ZINC000293482685	ref	4.95	-19.88	0	370.409	0.582	1	4	2	CN1C(=O)N[C@@]2(CCN(C(=O)[C@@H]3CCCN(c4ccccc4)C3=O)C2)C1=O
365624630	ZINC000625041261	ref	7.52	-17.4	0	321.446	2.433	1	3	5	CCN(Cc1cccs1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365638858	ZINC000625087942	ref	9.43	-12.36	0	316.405	2.358	1	5	7	CCO[C@H](C(=O)N[C@@H](c1nnc2ccccn12)C(C)C)C1CC1
365638861	ZINC000625083934	ref	4.31	-20.33	0	317.364	2.09	2	3	4	CC(=O)N[C@@H]1CCCN(CC(=O)c2c[nH]c3ccc(F)cc23)C1
398247010	ZINC000097159390	mid	3.84	-9.15	0	245.33	1.469	2	4	5	Cc1n[nH]cc1CNCc1ccc(N(C)C)nc1
214178143	ZINC000293475898	ref	1.77	-14.41	0	354.428	0.878	2	5	6	CO[C@@H](CNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)cc1C)C1CC1
398247015	ZINC000036113199	ref	8.37	-7.98	0	247.382	3.515	1	1	6	CC(C)CC(=O)NCCc1ccc(C(C)C)cc1
365638862	ZINC000625083934	low	6.83	-61.55	1	317.364	2.09	3	2	4	CC(=O)N[C@@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C1
365638864	ZINC000625083934	low	7.37	-60.51	1	317.364	2.09	3	2	4	CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C1
178294472	ZINC000237040178	ref	3.94	-59.17	1	357.451	1.659	2	3	6	CC[NH2+]CC1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)CC1
136228659	ZINC000191584435	ref	2.13	-14.99	0	239.319	0.024	1	3	5	CCN1CN(CC(=O)NCC2CCC2)CC1=O
178294474	ZINC000237040178	high	4.15	-71.87	0	357.451	1.659	1	3	6	CC[NH2+]CC1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)CC1
365638866	ZINC000625086166	ref	3.39	-13.41	0	315.32	2.189	2	3	4	Cc1cc(C(F)F)oc1C(=O)N1CCCC[C@@H]1CNC(N)=O
178294475	ZINC000237041460	ref	7.26	-55.97	1	370.453	1.314	2	4	5	CCn1c(=O)[nH]c2cc(C(=O)N3CCC([NH2+]CC4CC4)CC3)ccc2c1=O
136229413	ZINC000293341329	ref	7.36	-3.08	0	204.216	2.684	0	2	4	C=CCC(F)(F)C(=O)OC1CCCC1
168365361	ZINC000368504331	mid	7.84	-40.39	1	325.456	3.254	2	3	5	Cn1nccc1C1C[C@@H]2CC[C@H](C1)[N@H+]2CC[C@@H](O)c1ccccc1
398247021	ZINC000076778351	ref	5.13	-12.35	0	242.319	2.699	2	2	4	CSC[C@@H](C)NC(=O)Nc1cccc(F)c1
342599267	ZINC000616993464	mid	7.21	-81.13	2	269.433	1.565	3	1	6	CC[NH+](CC)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214178141	ZINC000053348970	ref	8.49	-46.82	1	346.862	2.643	2	3	7	Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC[N@H+](C)Cc1ccccc1
214178144	ZINC000053348970	mid	8.48	-46.85	1	346.862	2.643	2	3	7	Cc1nn(C)c(Cl)c1/C=C/C(=O)NCC[N@@H+](C)Cc1ccccc1
214178148	ZINC000053348970	high	6.16	-10.33	0	346.862	2.643	1	4	7	Cc1nn(C)c(Cl)c1/C=C/C(=O)NCCN(C)Cc1ccccc1
214178150	ZINC000053326383	ref	5.43	-10.82	0	343.196	2.073	1	2	3	CN1CC[C@@H](C(=O)NCc2ccc(F)cc2Br)CC1=O
342599268	ZINC000616993464	high	5.18	-36.95	1	269.433	1.565	2	2	6	CCN(CC)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
398247016	ZINC000381278258	ref	1.36	-14.52	0	226.301	1.05	2	3	4	CC[C@H](NC(=O)c1csc(C)c1)C(N)=O
349533407	ZINC000618810001	ref	3.55	-16.1	0	260.362	1.799	0	3	2	O=S1CCN(Cc2ccc3cnccc3c2)CC1
342599269	ZINC000616993464	high	5.2	-37.57	1	269.433	1.565	2	2	6	CCN(CC)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214178153	ZINC000053351304	ref	4.49	-26.73	0	340.383	1.647	2	4	4	CC(=O)c1c[nH]c(C(=O)NC2CCN(C(=O)c3ccncc3)CC2)c1
214178156	ZINC000053326749	ref	2.29	-12.02	0	348.14	0.66	2	3	5	C[C@H](NC(=O)COc1ccc(I)cc1)C(N)=O
214178159	ZINC000053325527	ref	5.76	-14.09	0	336.395	1.948	2	4	6	C[C@@H](NC(=O)CCc1nc2ccccc2n1-c1ccccc1)C(N)=O
214178161	ZINC000053354160	ref	4.06	-21.48	0	342.376	2.258	1	4	4	O=C(CN1c2cccc3cccc(c23)S1(=O)=O)NCc1ccoc1
214178164	ZINC000053345918	ref	8.02	-26.62	0	343.314	2.895	1	4	3	CC(=O)Nc1cc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)ccc1F
214178168	ZINC000053338807	ref	5.66	-21.43	0	345.226	2.485	1	3	4	C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(Cl)c(Cl)c1
365624635	ZINC000576560379	ref	7.75	-8.78	0	241.375	3.053	1	2	8	CCO[C@@H](CC)C(=O)N[C@H](C)CCC=C(C)C
214178171	ZINC000053341007	ref	4.25	-15.37	0	325.419	1.873	1	8	4	Cc1cc([C@@H]2CCCN2C(=O)CSc2nnc(N)s2)on1
349533410	ZINC000618810001	low	5.79	-62.49	1	260.362	1.799	1	2	2	O=S1CC[NH+](Cc2ccc3cnccc3c2)CC1
365624644	ZINC000576552307	ref	4.55	-16.02	0	248.633	0.977	2	5	2	N#Cc1cc(C(=O)Nc2nn[nH]n2)ccc1Cl
342599270	ZINC000616993340	ref	5.92	-40.31	1	256.39	1.648	2	2	5	CC[C@H](OC)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
133427987	ZINC000306422947	ref	6.07	-43.65	1	180.295	2.314	1	1	3	CC(C)C[NH2+][C@@H]1CCC[C@@H](C#N)C1
342599271	ZINC000616993340	mid	6.0	-40.95	1	256.39	1.648	2	2	5	CC[C@H](OC)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214178145	ZINC000337602964	ref	6.38	-40.53	1	285.457	2.056	3	2	6	CCS[C@H]1CCC[C@@H](NC(=O)NCC[NH+]2CCC2)C1
214178146	ZINC000337602964	mid	3.2	-8.89	0	285.457	2.056	2	3	6	CCS[C@H]1CCC[C@@H](NC(=O)NCCN2CCC2)C1
365624636	ZINC000122174040	high	6.53	-16.73	0	286.379	2.344	1	4	5	Cc1cccc(NC(=O)[C@H]2CCCN(CCCC#N)C2)n1
365624645	ZINC000122128852	ref	6.72	-11.05	0	285.347	2.196	1	4	2	C[C@@H]1OCC[C@@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2
214178151	ZINC000337604678	ref	1.9	-8.26	0	259.346	0.659	1	4	7	CC[C@H]1OCCC[C@@H]1C(=O)N(C)CCOCCO
214178154	ZINC000337602633	ref	0.21	-15.36	0	258.318	-0.63	2	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCNC(=O)C1
214178157	ZINC000337602154	ref	0.8	-9.05	0	286.225	0.644	2	3	5	O=C(NCC(F)F)C(=O)N[C@@H]1CCC[C@H]1OC(F)F
214178160	ZINC000337605134	ref	4.96	-42.97	1	286.416	0.964	2	3	8	CCN(CCOCCO)C(=O)C1CC[NH+](C(C)C)CC1
365624659	ZINC000122035688	ref	7.05	-32.44	1	297.439	2.367	1	3	10	CCCCOCCOCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2
365624671	ZINC000122127219	ref	3.91	-7.7	0	254.374	2.432	2	2	2	C[C@@H]1OCC[C@H]1NC(=O)NC1CCC(C)(C)CC1
365624686	ZINC000122042977	ref	6.27	-36.13	1	282.428	2.181	2	2	5	CC(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1
214178163	ZINC000337605851	ref	4.62	-15.99	0	281.356	0.768	1	5	8	CCN(CCOCCO)C(=O)c1cc(C2CC2)n(C)n1
342599272	ZINC000616993531	ref	4.45	-39.01	1	254.374	1.259	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1
365624699	ZINC000122042977	mid	6.61	-36.13	1	282.428	2.181	2	2	5	CC(C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1
214178167	ZINC000337604191	ref	-3.08	-12.22	0	282.3	-0.122	4	5	5	NC(=O)c1cc(CNC(=O)NCC2(O)CCCC2)on1
214178169	ZINC000337605736	ref	7.46	-8.83	0	289.423	3.002	2	2	8	CCN(CCCNC(=O)NCC1CCC1)c1ccccc1
365624708	ZINC000122042977	high	4.29	-6.28	0	282.428	2.181	1	3	5	CC(C)C[C@H](C)NC(=O)[C@@H]1CCCN1C1CCOCC1
214178172	ZINC000337605736	low	7.56	-41.0	1	289.423	3.002	3	1	8	CC[N@H+](CCCNC(=O)NCC1CCC1)c1ccccc1
342599273	ZINC000616993531	mid	4.51	-39.39	1	254.374	1.259	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1
214178173	ZINC000337605736	low	7.54	-40.51	1	289.423	3.002	3	1	8	CC[N@@H+](CCCNC(=O)NCC1CCC1)c1ccccc1
214178175	ZINC000337605026	ref	3.93	-10.25	0	294.317	2.443	2	2	3	O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)N[C@@H]1CCOC1
214178176	ZINC000337604107	ref	2.16	-14.23	0	253.302	0.028	1	5	4	C[C@H]1[C@H](CO)CCN1C(=O)COc1cnn(C)c1
365624718	ZINC000122169482	ref	7.32	-8.45	0	279.38	2.019	1	3	2	O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)[C@H]1CCCCO1
178294477	ZINC000237053910	ref	5.04	-55.32	1	371.89	1.36	2	3	5	CN(CC(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2)S(=O)(=O)c1ccc(Cl)cc1
214178149	ZINC000293478401	ref	4.4	-16.86	0	372.381	0.695	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1cccc(-c2nccc(C)n2)c1)OC
214190292	ZINC000053605785	ref	8.03	-49.59	1	337.427	2.527	1	5	5	N#Cc1ccc(C[N@@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1
214190296	ZINC000053605785	mid	7.14	-46.29	1	337.427	2.527	1	5	5	N#Cc1ccc(C[N@H+]2CCCN(Cc3noc(C4CC4)n3)CC2)cc1
214190299	ZINC000053605785	mid	5.89	-9.24	0	337.427	2.527	0	6	5	N#Cc1ccc(CN2CCCN(Cc3noc(C4CC4)n3)CC2)cc1
214190302	ZINC000053595898	ref	5.0	-15.11	0	345.399	1.74	2	4	6	COC(=O)Nc1ccc(CNC(=O)[C@@H]2CC(=O)N(CC3CC3)C2)cc1
214190306	ZINC000053609004	ref	8.04	-13.04	0	335.82	2.739	1	6	4	Cn1c(CSc2n[nH]c(=O)n2C2CC2)nc2cc(Cl)ccc21
214190310	ZINC000053605572	ref	4.39	-11.39	0	326.4	2.341	1	5	5	O=C(NC1CCN(Cc2noc(C3CC3)n2)CC1)c1ccccc1
214190313	ZINC000053588105	ref	3.04	-50.24	1	326.443	2.299	1	4	6	C[C@@H](C[NH3+])Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1
214190316	ZINC000053602134	ref	7.59	-13.39	0	349.459	3.86	1	4	4	C[C@H]1Cc2ccccc2N1Cc1csc(-c2ccc(C(N)=O)cc2)n1
282120748	ZINC000449149834	high	6.29	-7.91	0	278.318	2.318	1	2	7	C[C@H](NC1CC1)C(=O)N(CCC(F)(F)F)CC1CC1
398247017	ZINC000650866084	ref	1.15	-8.12	0	289.376	1.786	3	4	7	CCc1nc([C@H](C)NC(=O)N[C@H](CO)CCF)cs1
214190325	ZINC000053600334	ref	5.05	-9.44	0	349.814	3.211	2	4	7	CCOc1c(Cl)cc(C(=O)NC[C@@H](O)c2ccccc2)cc1OC
214190329	ZINC000053603074	ref	7.28	-19.0	0	339.386	2.536	1	2	3	C[C@@H](NC(=O)N1CCC(C(=O)N(C)C)CC1)c1ccc(F)c(F)c1
365624638	ZINC000623054361	ref	5.26	-49.05	1	315.421	1.945	3	3	3	O=C(Nc1cccnc1N1CCCC1)N[C@@H]1CC12CC[NH2+]CC2
365624651	ZINC000623054233	ref	1.32	-48.86	1	316.361	1.304	3	3	2	C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
178305626	ZINC000048248878	low	7.68	-36.61	1	247.367	2.89	1	2	3	Cc1cc2[nH+]cn([C@H](C)CC(N)=S)c2cc1C
365624656	ZINC000623054233	high	-0.49	-74.35	0	316.361	1.304	2	3	2	C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
365624662	ZINC000623053870	ref	5.35	-64.85	1	315.381	1.173	2	5	3	Cc1ccc(-n2cnnn2)cc1NC(=O)N1CCC(C[NH3+])CC1
349536016	ZINC000258968022	mid	7.33	-50.04	1	230.311	2.479	1	2	6	CCOc1ccc(C[NH2+]CC2(C#N)CC2)cc1
178294479	ZINC000237054325	ref	2.74	-60.31	1	360.501	1.1	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1
365624643	ZINC000354685708	high	3.69	-7.43	0	276.384	1.782	2	3	6	C[C@H](CN(C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1
398247019	ZINC000649444433	ref	6.05	-6.81	0	216.284	2.542	0	3	3	COCc1ccccc1-c1cnn(C)c1C
185091436	ZINC000096081739	mid	5.97	-40.01	1	287.407	1.767	1	3	4	c1cc(CN2CCO[C@H]3C[N@H+](CC4CCC4)C[C@H]32)ccn1
349533411	ZINC000594965073	high	4.12	-17.55	0	299.411	2.614	1	3	5	COc1ccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c(F)c1
178294480	ZINC000237050906	ref	6.19	-51.0	1	354.472	1.792	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C(=O)OC)cc2C)CC1
178294482	ZINC000237046845	ref	7.91	-51.8	1	353.466	1.957	2	2	6	C[NH2+]CC1CCN(C(=O)CNC(=O)Cc2cccc3ccccc23)CC1
365624652	ZINC000354684778	ref	3.96	-4.89	0	296.411	1.613	2	3	3	C[C@@H]1OCC[C@@H]1NC(=O)C(=O)NCC1CCC(C)(C)CC1
365624666	ZINC000354685279	ref	4.33	-8.71	0	284.278	1.826	2	3	6	CCOC(=O)C[C@H](C)CNC(=O)N[C@@H](C)C(F)(F)F
349533413	ZINC000594964748	ref	2.31	-19.96	0	292.404	2.607	1	3	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cc3cccnc3o2)C1
349536021	ZINC000258947924	ref	7.38	-59.82	1	232.327	2.52	1	2	7	CC(C)Oc1ccc(CC[NH2+]CCC#N)cc1
365624678	ZINC000354686034	ref	3.48	-12.66	0	289.416	1.683	1	4	10	CCC(C)(C)C(=O)N(C)C[C@@H](O)COCCOC(C)C
365624691	ZINC000354686468	ref	2.76	-8.33	0	278.308	1.415	2	5	6	C/C=C\C[C@@H](NC(=O)c1cncc(O)c1)C(=O)OCC
365624698	ZINC000354686468	mid	3.52	-44.48	-1	278.308	1.415	1	5	6	C/C=C\C[C@@H](NC(=O)c1cncc([O-])c1)C(=O)OCC
365624707	ZINC000354685104	ref	3.3	-10.06	0	294.399	1.579	3	4	8	C[C@@H](CO)CCCNC(=O)N[C@@H](c1nccn1C)C1CC1
398247022	ZINC000649444498	ref	5.96	-6.0	0	243.228	3.012	1	1	3	C=C(C)c1ccc(C(=O)NCC(F)(F)F)cc1
398247025	ZINC000649444431	ref	-1.87	-9.23	0	236.271	0.198	3	4	5	C=C(C)c1ccc(C(=O)NC[C@@H](O)CO)nc1
365624715	ZINC000354685104	low	4.43	-36.15	1	294.399	1.579	3	3	8	C[C@@H](CO)CCCNC(=O)N[C@@H](c1[nH+]ccn1C)C1CC1
365624725	ZINC000354684744	ref	10.54	-25.91	0	294.322	1.649	1	8	3	Cc1cc(N[C@@H](C)c2nnc3ccccn23)n2ncnc2n1
365624737	ZINC000354685891	ref	6.62	-22.14	0	280.715	1.183	2	5	4	Cn1cnnc1NC(=O)[C@@H](CO)c1ccc(Cl)cc1
259308842	ZINC000084399823	ref	6.68	-41.26	-1	219.24	1.513	0	3	2	C[C@@H]1[C@H](C(=O)[O-])CC(=O)N1c1ccccc1
398247029	ZINC000381279957	ref	-0.34	-42.37	1	210.281	0.91	2	4	4	Cc1noc([C@H](C)NCC2([NH3+])CCC2)n1
214178170	ZINC000278476882	ref	7.06	-42.5	1	307.434	3.04	1	3	7	CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCOC[C@H]1C
214178174	ZINC000278477380	ref	3.71	-18.35	0	311.403	2.075	1	4	4	COc1cc(C)c(NC(=O)C[C@H]2CCS(=O)(=O)C2)cc1C
214178177	ZINC000278476750	ref	3.67	-12.76	0	317.393	1.582	2	5	3	Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCOC[C@@H]2C)[nH]n1
214178179	ZINC000278476487	ref	6.59	-40.89	1	300.402	2.865	2	3	9	CC[N@H+](CCCO)Cc1cncc(OCc2ccccc2)c1
342599274	ZINC000616992925	ref	3.85	-36.26	1	268.386	1.388	2	4	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2csnn2)C1
214178181	ZINC000278476487	mid	6.54	-40.96	1	300.402	2.865	2	3	9	CC[N@@H+](CCCO)Cc1cncc(OCc2ccccc2)c1
214178182	ZINC000278476487	high	4.49	-7.15	0	300.402	2.865	1	4	9	CCN(CCCO)Cc1cncc(OCc2ccccc2)c1
214178185	ZINC000278477796	ref	6.04	-10.74	0	317.307	3.159	1	3	4	CC1(C)CC[C@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)O1
214178187	ZINC000278476071	ref	4.02	-49.1	1	321.808	2.157	2	4	6	OCC[C@@]1([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CCOC1
365624650	ZINC000576552307	mid	4.61	-43.74	-1	248.633	0.977	1	5	2	N#Cc1cc(C(=O)Nc2nnn[n-]2)ccc1Cl
214178189	ZINC000278476071	high	2.95	-8.99	0	321.808	2.157	2	5	6	OCC[C@@]1(NCc2cnn(-c3ccc(Cl)cc3)c2)CCOC1
342599275	ZINC000616992925	mid	3.82	-36.03	1	268.386	1.388	2	4	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2csnn2)C1
214178191	ZINC000278478298	ref	8.43	-12.97	0	316.445	3.469	1	2	7	CC(=O)NCCCCCC(=O)N1C[C@H](C(C)C)c2ccccc21
214178194	ZINC000278477340	ref	7.01	-38.91	1	317.458	3.463	1	4	4	c1coc(-c2ncc(CN3CC[C@@H]([NH+]4CCCCC4)C3)s2)c1
214178197	ZINC000278477340	high	4.85	-5.9	0	317.458	3.463	0	5	4	c1coc(-c2ncc(CN3CC[C@@H](N4CCCCC4)C3)s2)c1
214178199	ZINC000278477388	ref	7.47	-11.48	0	308.447	2.901	0	4	5	CC[C@H](SC)C(=O)N1CCC(Oc2ccncc2C)CC1
342599276	ZINC000616993088	ref	4.99	-39.6	1	256.39	1.65	2	2	6	COCCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599277	ZINC000616993088	mid	4.98	-40.31	1	256.39	1.65	2	2	6	COCCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214178202	ZINC000278477388	mid	7.93	-43.15	1	308.447	2.901	0	3	5	CC[C@H](SC)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1
342599278	ZINC000590831007	ref	6.07	-19.01	0	277.324	1.885	2	4	6	C=C(CC)CNC(=O)Nc1cccc(CC(=O)OC)n1
214178204	ZINC000278476869	ref	3.41	-7.35	0	318.295	2.178	1	4	4	C[C@@H]1COCC[C@@H]1NC(=O)c1cccc(OCC(F)(F)F)n1
214178178	ZINC000337603139	ref	5.04	-12.55	0	271.401	2.06	1	3	7	CCN(CCOCCO)C(=O)[C@H]1CCCC(C)(C)C1
349533412	ZINC000618807230	ref	7.17	-45.41	1	298.39	1.939	3	2	2	C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1
197598740	ZINC000162880683	ref	3.94	-37.01	1	302.216	2.277	1	3	4	COCCn1ncc(Br)c1[C@@H]1CCCC[C@@H]1[NH3+]
365624655	ZINC000576552307	mid	4.6	-43.64	-1	248.633	0.977	1	5	2	N#Cc1cc(C(=O)Nc2nn[n-]n2)ccc1Cl
365624665	ZINC000576553462	ref	6.78	-8.42	0	233.311	2.564	1	2	5	CCCC(=O)NC(C)(C)C(=O)c1ccccc1
365624673	ZINC000576558766	ref	4.33	-11.2	0	233.275	0.555	2	6	5	OC[C@H](CNc1cncc2nncn12)C1CC1
365624681	ZINC000576554471	ref	3.67	-10.15	0	249.31	2.063	2	3	5	COc1cc(CNC(=O)C[C@H]2C[C@@H]2C)ccc1O
214178180	ZINC000337602530	ref	6.09	-43.14	1	281.425	2.086	2	3	4	CCc1nc(C)c(C(=O)NCC2CC[NH+](C)CC2)s1
342084118	ZINC000608900129	ref	4.73	-20.88	0	293.308	1.547	1	7	5	CSc1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cn1
342084119	ZINC000625345737	ref	0.98	-6.39	0	251.33	1.54	1	5	3	C[C@H]1CN(Cc2noc(C3CCC3)n2)CC[C@H]1O
342084120	ZINC000625346307	ref	4.59	-7.12	0	284.372	1.796	0	2	4	CCCN(C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
282120749	ZINC000533445747	mid	5.75	-45.29	1	283.759	1.784	2	3	4	C[N@@H+](CC(=O)Nc1ccc(Cl)cn1)C1CCOCC1
185090601	ZINC000096081689	mid	3.79	-39.13	1	262.357	0.705	2	3	4	c1cc(CN2C[C@@H]3OCC[N@@H+](CC4CC4)[C@@H]3C2)n[nH]1
197598745	ZINC000162886880	ref	6.08	-46.45	1	318.87	2.32	1	3	8	CCC[NH2+]Cc1cc(Cl)ccc1N(C)CCS(C)(=O)=O
197598746	ZINC000162886880	high	5.05	-11.18	0	318.87	2.32	1	4	8	CCCNCc1cc(Cl)ccc1N(C)CCS(C)(=O)=O
214178183	ZINC000337604416	ref	7.35	-49.6	1	294.403	0.698	3	4	7	CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NCCn1cncn1
342084121	ZINC000625345741	ref	0.68	-6.79	0	251.33	1.54	1	5	3	C[C@@H]1CN(Cc2noc(C3CCC3)n2)CC[C@H]1O
342084122	ZINC000625345570	ref	4.84	-10.04	0	277.32	1.464	0	4	2	CN(C(=O)[C@]1(C)COc2ccccc2O1)[C@H]1CCOC1
342084123	ZINC000625346259	ref	2.18	-8.66	0	268.329	1.206	1	2	3	C[C@@H]1CN(S(=O)(=O)NC2CC2)C[C@@H](C)C1(F)F
342084124	ZINC000625345719	ref	2.69	-10.37	0	296.333	1.634	1	3	7	CCCN(CC(F)(F)F)C(=O)CN1CCC[C@H]1CCO
342084125	ZINC000625345719	mid	5.23	-38.29	1	296.333	1.634	2	2	7	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@H]1CCO
342084126	ZINC000625345719	mid	4.72	-35.94	1	296.333	1.634	2	2	7	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@H]1CCO
342084127	ZINC000625345552	ref	5.19	-8.86	0	292.351	1.937	0	3	2	C[C@H]1CN(S(=O)(=O)c2cccn2C)C[C@H](C)C1(F)F
178294483	ZINC000113728605	mid	5.06	-5.65	0	237.1	2.888	1	2	0	Cc1cc2cc(Br)ccc2c(N)n1
178294485	ZINC000012644860	ref	4.61	-47.02	1	240.31	2.094	2	3	3	Cc1cc2cc(C#N)c(NCC[NH3+])nc2cc1C
365624657	ZINC000336543603	ref	4.2	-15.55	0	298.745	2.042	2	2	2	Cc1c(F)ccc(Cl)c1C(=O)N[C@@H]1C(=O)NCC[C@@H]1C
178294487	ZINC000336444563	ref	6.06	-18.11	0	243.31	2.856	2	2	3	Cc1cc2c[nH]nc2cc1NC(=O)C[C@@H]1C[C@H]1C
365624663	ZINC000336544409	ref	5.9	-8.3	0	295.404	2.467	0	4	1	Cc1ccc(C(=O)N2C[C@@H](C)O[C@@]3(CCCOC3)C2)s1
178294490	ZINC000045817441	ref	4.77	-46.07	-1	203.197	1.535	1	3	1	Cc1cc2cc(C(=O)[O-])ccc2[nH]c1=O
178294493	ZINC000020271003	ref	5.56	-45.37	-1	217.224	1.464	1	3	2	Cc1cc2cc(CC(=O)[O-])ccc2[nH]c1=O
365624670	ZINC000336543936	ref	4.29	-11.83	0	250.279	2.499	1	5	3	CC(=O)c1ccc(C(=O)Nc2csc(C)n2)o1
178294495	ZINC000089261984	ref	4.46	-47.83	1	220.703	2.964	1	1	1	Cc1cc2cc(C[NH3+])c(Cl)nc2cc1C
365624679	ZINC000336543936	high	3.15	-43.14	-1	250.279	2.499	0	5	3	CC(=O)c1ccc(C(=O)[N-]c2csc(C)n2)o1
178294497	ZINC000089261984	high	4.06	-6.65	0	220.703	2.964	1	2	1	Cc1cc2cc(CN)c(Cl)nc2cc1C
398247020	ZINC000650866568	ref	4.04	-15.42	0	254.374	1.842	2	2	3	CC[C@H]1C[C@H](C(=O)N[C@H](C)C(C)(C)C)CC(=O)N1
178294500	ZINC000285607297	ref	7.43	-45.76	1	246.379	3.071	2	1	3	Cc1cc2cc(C[NH2+][C@H]3CCSC3)ccc2[nH]1
398247024	ZINC000650866773	ref	7.03	-41.01	1	258.431	1.974	2	2	4	C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)C(C)(C)C
365624683	ZINC000336544199	ref	4.26	-12.76	0	290.363	2.301	2	3	2	COc1cc(C)cc(NC(=O)N2C[C@@H](O)C3(CC3)C2)c1C
365624693	ZINC000336543858	ref	5.28	-12.78	0	293.411	2.107	1	4	3	Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@](C)(O)C(C)C
365624697	ZINC000336544553	ref	1.31	-9.05	0	260.297	2.083	2	4	3	Cc1cc(C)cc(-c2nc([C@@H](C)NC(N)=O)no2)c1
365624706	ZINC000336543786	ref	7.19	-13.91	0	293.388	2.312	0	4	3	CN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CCCS1
178294503	ZINC000001713902	ref	9.36	-26.06	1	225.315	2.773	0	1	0	Cc1cc2c3ccc(C)[n+](C)c3ccc2n1C
178294507	ZINC000362304249	ref	5.94	-9.32	0	239.265	3.404	1	2	4	Cc1cc2cc(CNCC(F)F)oc2cc1C
178294509	ZINC000362304249	low	7.29	-45.41	1	239.265	3.404	1	1	4	Cc1cc2cc(C[NH2+]CC(F)F)oc2cc1C
178294512	ZINC000353134045	ref	8.37	-39.66	1	242.366	3.755	2	0	3	Cc1cc2cc(C[NH2+][C@H]3CC[C@@H](C)C3)ccc2[nH]1
365624721	ZINC000336544059	ref	4.8	-14.76	0	295.364	2.165	1	4	3	C[C@@H]1CCN(S(=O)(=O)c2c[nH]cn2)[C@H](c2ccco2)C1
398247028	ZINC000650866773	mid	7.04	-42.02	1	258.431	1.974	2	2	4	C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)C(C)(C)C
398247023	ZINC000191992449	ref	0.12	-12.21	0	225.296	0.383	1	6	6	CCN(CCO)[C@H](C)c1nnnn1C1CC1
185090602	ZINC000096081689	mid	3.19	-32.71	1	262.357	0.705	2	3	4	c1cc(CN2C[C@@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)n[nH]1
185090604	ZINC000096080643	ref	4.07	-15.42	0	294.273	0.502	0	3	4	COCCN1C[C@@H]2CN(C(=O)CC(F)(F)F)C[C@@H]2C1=O
398247027	ZINC000191992449	low	1.94	-42.86	1	225.296	0.383	2	5	6	CC[N@H+](CCO)[C@H](C)c1nnnn1C1CC1
214178184	ZINC000337604416	mid	6.56	-48.11	1	294.403	0.698	3	4	7	CC(C)C[N@H+]1CCC[C@H]1CNC(=O)NCCn1cncn1
342599279	ZINC000590830217	ref	5.45	-15.72	0	265.357	1.889	1	3	1	CC1(C)OCC[C@@H]1NC(=O)N1CCC[C@@](C)(C#N)C1
342599280	ZINC000616993155	ref	6.19	-41.19	1	256.39	1.648	2	2	5	CC(C)OCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214178186	ZINC000337605047	ref	8.49	-14.89	0	264.369	3.034	1	3	7	CCc1cccnc1NC(=O)[C@@H](C)OCCC(C)C
214178188	ZINC000337605331	ref	5.65	-8.58	0	293.382	3.19	2	2	4	CC(C)[C@H](NC(=O)C1CCC(O)CC1)c1ccc(F)cc1
342599281	ZINC000616993155	mid	6.14	-40.64	1	256.39	1.648	2	2	5	CC(C)OCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214178190	ZINC000337602400	ref	2.41	-16.72	0	286.372	0.101	1	4	7	CC(C)C(=O)N1CCC[C@@H]1C(=O)N(C)CCOCCO
342599282	ZINC000590831030	ref	6.1	-19.84	0	277.324	1.885	2	4	6	C=C(C)CCNC(=O)Nc1cccc(CC(=O)OC)n1
214178192	ZINC000337603444	ref	-1.72	-16.63	0	270.289	-0.984	3	4	5	O=C(NCCCN1C(=O)CNC1=O)N[C@H]1CCOC1
214178193	ZINC000337603358	ref	5.66	-7.93	0	267.369	2.354	1	3	5	CC(=O)CCC(=O)NC[C@@H]1CCC2(CCCCC2)O1
222609250	ZINC000291778110	ref	8.45	-14.39	0	320.364	1.864	1	4	4	COC(=O)C1(NC(=O)[C@@H]2CCN(c3ccccc3F)C2)CCC1
282120751	ZINC000449149724	ref	4.52	-8.32	0	259.353	2.362	2	3	3	Nc1ccc(C(=O)N[C@H]2C[C@@H]2C2CCCCC2)nc1
299072451	ZINC000459275816	ref	4.5	-12.35	0	309.797	2.866	3	2	4	CNC(=O)c1ccc(NC(=O)N[C@@H]2C[C@H]2C(C)C)cc1Cl
342599283	ZINC000590829963	ref	4.45	-10.98	0	271.336	1.695	1	3	5	CC[C@H](C)[C@H](CNC(=O)N1CC[C@](F)(C#N)C1)OC
342599284	ZINC000590829964	ref	4.73	-11.92	0	271.336	1.695	1	3	5	CC[C@H](C)[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)OC
342599285	ZINC000590840077	ref	6.47	-42.98	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@H+]3C[C@@H](C(N)=O)CC[C@H]3C)nc12
342599286	ZINC000590840077	mid	6.61	-38.59	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@H]3C)nc12
342599287	ZINC000590840077	mid	4.76	-17.65	0	286.379	1.729	1	4	3	Cc1cccn2cc(CN3C[C@@H](C(N)=O)CC[C@H]3C)nc12
342599288	ZINC000616993426	ref	5.19	-41.14	1	264.373	1.27	2	3	3	Cn1nccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214178201	ZINC000337604032	ref	7.52	-13.57	0	265.378	2.122	0	3	4	CSCC(=O)N(C)C[C@@H]1OCCc2ccccc21
178294489	ZINC000237044240	ref	5.39	-21.08	0	359.451	1.869	1	4	4	CN(CC(=O)N1CCCc2c(N)cccc21)S(=O)(=O)c1ccccc1
299072452	ZINC000567668696	ref	7.28	-47.86	1	290.407	2.228	1	2	7	COc1ccc(CCCCC(=O)N(C)[C@H]2CC[NH2+]C2)cc1
178294491	ZINC000237051970	ref	5.92	-52.45	-1	363.151	1.893	1	4	5	CC[C@H](NC(=O)c1ccc(OC)cc1I)C(=O)[O-]
214178205	ZINC000337603352	ref	5.76	-7.87	0	267.369	2.354	1	3	5	CC(=O)CCC(=O)NC[C@H]1CCC2(CCCCC2)O1
178294492	ZINC000237050976	ref	3.47	-69.43	1	364.471	1.093	3	3	8	Cc1ccc(S(=O)(=O)NCC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)cc1
214178207	ZINC000337602113	ref	2.28	-10.7	0	271.361	0.41	2	3	4	C[C@@H](NC(=O)N(C)CC1(O)CCCC1)C(=O)N(C)C
214178209	ZINC000337602512	ref	5.48	-14.51	0	282.29	2.073	1	2	2	O=C(NC[C@H]1CCOC1)N1CCc2cc(F)c(F)cc21
178294494	ZINC000237050976	mid	2.1	-17.66	0	364.471	1.093	3	4	8	Cc1ccc(S(=O)(=O)NCCNCc2ccc(C(=O)N(C)C)[nH]2)cc1
214178210	ZINC000337602156	ref	0.8	-9.15	0	286.225	0.644	2	3	5	O=C(NCC(F)F)C(=O)N[C@H]1CCC[C@@H]1OC(F)F
398247026	ZINC000390747708	ref	1.59	-44.84	1	208.265	0.357	2	3	2	Cn1cc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cn1
214178212	ZINC000337604604	ref	7.71	-37.72	1	295.471	3.127	3	1	4	CC[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C(C)C)CC1
214178214	ZINC000337603817	ref	2.26	-18.22	0	290.41	0.844	1	6	9	CN(CCOCCO)C(=O)CSCc1cscn1
178294496	ZINC000237052911	ref	5.74	-52.86	1	357.432	1.614	1	5	7	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)CC1
214178217	ZINC000337605201	ref	3.81	-15.53	0	271.357	0.849	1	4	7	CCN(CCOCCO)C(=O)[C@@H]1CCC(=O)C[C@@H]1C
214178218	ZINC000337604684	ref	2.59	-10.31	0	259.346	0.659	1	4	7	CC[C@H]1OCCC[C@H]1C(=O)N(C)CCOCCO
214178220	ZINC000337602772	ref	1.11	-18.93	0	261.207	0.452	3	4	3	O[C@@H](CCN=c1ncnc2[nH][nH]cc1-2)C(F)(F)F
214178222	ZINC000337602772	high	0.96	-30.44	-1	261.207	0.452	2	4	3	O[C@@H](CCN=c1ncnc2[nH][n-]cc1-2)C(F)(F)F
178294499	ZINC000237047811	ref	5.61	-48.57	1	351.838	1.449	2	5	9	CCc1nc(C(=O)NCC[NH2+]CCOC)nn1-c1ccccc1Cl
214178223	ZINC000337602790	ref	2.26	-13.71	0	283.295	0.469	2	7	4	Cn1ncc2c(NCc3ccc(C(N)=O)nc3)ncnc21
214178225	ZINC000337602790	low	2.66	-50.07	1	283.295	0.469	2	6	4	Cn1ncc2c(NCc3ccc(C(N)=O)nc3)[nH+]cnc21
178305629	ZINC000041053918	ref	6.59	-56.37	1	217.316	2.561	1	2	2	Cc1cc2ncn([C@@H](C)[C@@H](C)[NH3+])c2cc1C
282120752	ZINC000533445747	mid	3.38	-12.96	0	283.759	1.784	1	4	4	CN(CC(=O)Nc1ccc(Cl)cn1)C1CCOCC1
342599289	ZINC000616993426	mid	5.11	-40.75	1	264.373	1.27	2	3	3	Cn1nccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
197598756	ZINC000290111994	ref	1.66	-10.9	0	264.325	1.891	3	3	7	C=C[C@H](CO)NC(=O)Nc1cccc(COCC)c1
349533414	ZINC000618807230	mid	7.71	-47.86	1	298.39	1.939	3	2	2	C[N@H+]1CCC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1
282120757	ZINC000533448259	ref	2.99	-41.14	-1	293.392	1.596	0	4	2	C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)[N-]2)C[C@@H]1C
365624660	ZINC000274325211	ref	4.72	-13.71	0	252.318	1.127	2	4	4	CC(C)O[C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1(C)C
282120761	ZINC000533448259	mid	2.89	-11.1	0	293.392	1.596	1	4	2	C[C@@H]1CN(CC2=Nc3ccccc3S(=O)(=O)N2)C[C@@H]1C
282120766	ZINC000533448259	low	5.37	-47.66	1	293.392	1.596	2	3	2	C[C@@H]1C[N@@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@@H]1C
365624669	ZINC000274325211	mid	4.73	-5.91	0	252.318	1.127	2	4	4	CC(C)O[C@H]1C[C@@H](NC(=O)c2ncn[nH]2)C1(C)C
365624675	ZINC000274325211	mid	4.72	-13.71	0	252.318	1.127	2	4	4	CC(C)O[C@H]1C[C@@H](NC(=O)c2nc[nH]n2)C1(C)C
342599290	ZINC000590830236	ref	4.1	-11.27	0	255.293	1.201	1	3	1	CC1(C)OCC[C@H]1NC(=O)N1CC[C@](F)(C#N)C1
365624684	ZINC000274323950	ref	7.47	-38.74	1	275.352	1.813	1	4	3	COC(=O)[C@H]1CC12CC[NH+]([C@H](C)c1cnccn1)CC2
398247030	ZINC000390747708	high	-0.03	-12.06	0	208.265	0.357	2	4	2	Cn1cc(NC(=O)[C@@H]2NCC2(C)C)cn1
342599291	ZINC000590830468	ref	4.43	-20.08	0	293.323	1.098	2	5	5	COC(=O)Cc1cccc(NC(=O)NC[C@H]2CCCO2)n1
342599292	ZINC000590840165	ref	4.54	-43.94	1	290.363	1.556	2	3	4	NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@@H]1COc2ccccc2O1
398247034	ZINC000390756018	ref	2.17	-37.33	1	208.261	0.894	2	2	3	CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccco1
342599293	ZINC000590840165	mid	5.03	-44.36	1	290.363	1.556	2	3	4	NC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]1COc2ccccc2O1
365624692	ZINC000274323950	mid	5.28	-9.55	0	275.352	1.813	0	5	3	COC(=O)[C@H]1CC12CCN([C@H](C)c1cnccn1)CC2
214178206	ZINC000278476483	ref	4.5	-15.02	0	314.172	2.26	2	2	2	NC(=O)N1CCc2ccc(NC(=O)[C@@H]3CC3(Cl)Cl)cc21
282120769	ZINC000533448259	low	5.37	-47.45	1	293.392	1.596	2	3	2	C[C@@H]1C[N@H+](CC2=Nc3ccccc3S(=O)(=O)N2)C[C@@H]1C
342599294	ZINC000590840165	high	2.92	-11.09	0	290.363	1.556	1	4	4	NC(=O)C[C@@H]1CCCCN1C[C@@H]1COc2ccccc2O1
282120772	ZINC000533447635	ref	5.38	-38.35	1	254.374	1.546	2	2	4	C[N@H+](CC(=O)NC1CCCCC1)C1CCOCC1
398247038	ZINC000390756018	high	0.59	-6.36	0	208.261	0.894	2	3	3	CC1(C)CN[C@@H]1C(=O)NCc1ccco1
214178208	ZINC000278478264	ref	3.8	-8.74	0	318.373	1.731	2	4	5	C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCOC[C@H]2C)c1
365624674	ZINC000623055016	ref	3.48	-50.76	1	300.362	1.041	3	3	3	C[C@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[NH2+]C1
343994542	ZINC000079927994	mid	4.66	-10.05	0	279.34	2.119	1	5	7	O=[N+]([O-])c1ccc(NCCCCN2CCOCC2)cc1
185090608	ZINC000096081362	ref	7.03	-48.1	1	293.392	1.016	1	3	3	C[NH+](C)CC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1
365624680	ZINC000623055016	mid	2.43	-76.31	0	300.362	1.041	2	3	3	C[C@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCC[NH2+]C1
365624685	ZINC000623054865	ref	5.05	-47.92	1	324.356	1.917	1	4	2	C[C@H]1C[NH2+]CCN1C(=O)c1nnc(-c2c(F)cccc2F)s1
185090610	ZINC000096081362	mid	4.66	-13.19	0	293.392	1.016	0	4	3	CN(C)CC(=O)N1CC[C@H]2[C@@H]1CC(=O)N2c1ccsc1
185090612	ZINC000096081869	ref	8.52	-94.51	2	279.453	2.553	2	2	4	C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]21
185090614	ZINC000096081869	mid	8.93	-95.76	2	279.453	2.553	2	2	4	C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21
185090616	ZINC000096081869	high	5.8	-38.9	1	279.453	2.553	1	3	4	C[NH+](C)C[C@@H]1CCC[C@@H]2CN(Cc3nccs3)C[C@@H]21
178305632	ZINC000041053918	low	7.07	-104.03	2	217.316	2.561	1	1	2	Cc1cc2[nH+]cn([C@@H](C)[C@@H](C)[NH3+])c2cc1C
365624695	ZINC000623054865	mid	3.72	-10.37	0	324.356	1.917	1	5	2	C[C@H]1CNCCN1C(=O)c1nnc(-c2c(F)cccc2F)s1
365624705	ZINC000623054241	ref	5.11	-47.81	1	305.769	1.227	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CC[NH2+]C1
365624717	ZINC000623054295	ref	3.77	-48.75	1	324.356	1.965	2	4	3	O=C(N[C@H]1CCC[NH2+]C1)c1nnc(-c2c(F)cccc2F)s1
365624724	ZINC000623053783	ref	3.46	-59.23	1	323.393	1.915	2	4	5	COc1cc(NC(=O)N2CCC(C[NH3+])CC2)cc(OC)c1OC
365624733	ZINC000623054647	ref	3.24	-43.94	1	316.224	1.777	2	3	2	O=C(N[C@@H]1CC12CC[NH2+]CC2)c1ncc(Br)s1
365624742	ZINC000623054634	ref	4.17	-44.5	1	304.213	1.73	1	3	2	CN(C(=O)c1ncc(Br)s1)C1CC[NH2+]CC1
214178211	ZINC000278476555	ref	4.22	-9.59	0	305.802	2.77	2	3	6	CC[C@H](SC)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1
365624751	ZINC000623054253	ref	5.76	-47.79	1	319.796	1.617	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@H]1CCC[NH2+]C1
214178213	ZINC000278477185	ref	-1.08	-51.05	-1	311.367	1.581	0	7	5	CCn1nc(C)c(S(=O)(=O)[N-]c2nnc(C3CC3)o2)c1C
365624756	ZINC000623053913	ref	2.59	-55.95	1	300.362	1.314	3	3	3	[NH3+]C1(CNC(=O)c2nc3ccccc3c(=O)[nH]2)CCCCC1
214178215	ZINC000278477185	low	0.33	-11.57	0	311.367	1.581	1	7	5	CCn1nc(C)c(S(=O)(=O)Nc2nnc(C3CC3)o2)c1C
214178216	ZINC000278477556	ref	2.88	-17.31	0	311.411	1.052	1	6	7	CCN(CCCNc1ccnc2c1cnn2C)S(C)(=O)=O
178294502	ZINC000237047811	high	4.18	-16.44	0	351.838	1.449	2	6	9	CCc1nc(C(=O)NCCNCCOC)nn1-c1ccccc1Cl
214178219	ZINC000278477225	ref	9.21	-8.98	0	306.439	2.058	1	7	3	CCC1(CC)CN(c2nc(N)c3cnn(C)c3n2)CCS1
214178221	ZINC000278477225	low	9.51	-34.69	1	306.439	2.058	1	6	3	CCC1(CC)CN(c2nc3c(cnn3C)c(N)[nH+]2)CCS1
214178224	ZINC000278476192	ref	8.56	-9.22	0	320.443	1.732	1	6	4	O=C(NCc1ncnn1-c1ccccc1)[C@H]1CSCCS1
178294504	ZINC000237055385	ref	7.1	-52.86	1	360.458	1.684	2	4	10	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)C[NH2+]CCOC)ccc21
346818967	ZINC000067777836	high	7.42	-8.04	0	274.408	2.805	0	2	4	CCCc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1
178294505	ZINC000237055385	mid	5.68	-22.96	0	360.458	1.684	2	5	10	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)CNCCOC)ccc21
343994546	ZINC000139398338	ref	1.71	-6.73	0	172.102	0.473	1	3	2	COC(=O)[C@H](O)CC(F)(F)F
178294506	ZINC000237051697	ref	5.64	-62.43	1	351.476	1.063	2	4	5	C[NH2+]CC1CCN(C(=O)Cc2csc(N3CCCNC3=O)n2)CC1
214178230	ZINC000278478263	ref	4.22	-8.56	0	318.373	1.731	2	4	5	C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCOC[C@H]2C)c1
178294508	ZINC000237049507	ref	8.01	-64.48	-1	363.389	1.677	2	4	8	CCN(CCC(=O)[O-])C(=O)[C@H](Cc1c[nH]c2cc(F)ccc12)NC(C)=O
398247031	ZINC000650866773	mid	4.85	-8.51	0	258.431	1.974	1	3	4	C[C@@H](NC(=O)CN(C)[C@H]1CCSC1)C(C)(C)C
178294510	ZINC000237049143	ref	4.88	-52.3	1	360.502	1.76	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
398247035	ZINC000650868723	ref	6.65	-40.72	1	283.416	1.68	2	2	6	CC(C)O[C@H]1CCCN(C(=O)NCC[N@H+](C)C2CC2)C1
178294511	ZINC000237049143	high	4.55	-15.34	0	360.502	1.76	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)Nc2cccc(C)c2C)CC1
214178232	ZINC000278476799	ref	8.26	-12.64	0	323.433	3.098	1	3	4	CSCC[C@H](O)C(=O)N1CC2(CCCC2)c2cccc(F)c21
214178235	ZINC000278477090	ref	4.41	-9.0	0	320.368	3.11	2	4	6	CC[C@H](NC(=O)NCc1nc(-c2cccc(F)c2)no1)C(C)C
178294513	ZINC000237047875	ref	7.56	-55.19	1	359.478	1.685	2	6	9	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N(C)CC[C@H]([NH3+])C(C)C
398247039	ZINC000650868723	mid	6.66	-41.04	1	283.416	1.68	2	2	6	CC(C)O[C@H]1CCCN(C(=O)NCC[N@@H+](C)C2CC2)C1
342599295	ZINC000590830161	ref	3.53	-23.62	0	260.297	1.856	1	4	3	CC(C)Oc1cc(NC(=O)N2CC(C#N)C2)ccn1
282120755	ZINC000426445260	mid	8.63	-81.17	2	265.401	1.023	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)C1
342599296	ZINC000590830848	ref	7.26	-21.37	0	277.324	1.671	1	4	4	CCC1CN(C(=O)Nc2cccc(CC(=O)OC)n2)C1
342599297	ZINC000590830293	ref	6.89	-42.67	1	264.291	1.881	1	1	2	CN(C(=O)C1(C(F)(F)F)CC1)C1CC[NH+](C)CC1
342599298	ZINC000590830293	high	4.54	-7.88	0	264.291	1.881	0	2	2	CN1CCC(N(C)C(=O)C2(C(F)(F)F)CC2)CC1
342599299	ZINC000616993337	ref	5.99	-41.24	1	256.39	1.648	2	2	5	CC[C@H](OC)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
282120758	ZINC000426445260	high	5.83	-43.69	1	265.401	1.023	1	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C2CC2)C1
282120765	ZINC000358667626	ref	6.63	-40.97	1	257.353	1.47	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](F)C2)C1
342599300	ZINC000616993337	mid	5.87	-40.8	1	256.39	1.648	2	2	5	CC[C@H](OC)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599301	ZINC000590830044	ref	7.13	-25.41	0	284.323	1.84	1	5	2	CC(C)c1nnc2ccc(NC(=O)N3CC(C#N)C3)cn12
282120788	ZINC000366507540	ref	8.63	-41.19	1	341.908	3.372	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCc3sc(Cl)cc32)C1
282120801	ZINC000335711271	ref	6.59	-42.17	1	295.427	1.681	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCOC3(CCC3)C2)C1
342599302	ZINC000590830296	ref	8.79	-43.64	1	275.396	1.675	1	2	4	CN(CC(=O)N(C)C1CC[NH+](C)CC1)c1ccccc1
365624690	ZINC000576560421	ref	5.36	-9.11	0	235.274	1.965	1	2	6	CC(F)(F)CNC(=O)COCC1CCCC1
282120808	ZINC000372475986	ref	9.79	-90.1	2	344.503	2.197	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1
365624703	ZINC000576560344	ref	7.09	-8.65	0	221.344	3.132	0	1	1	C[C@@H]1C[C@@H](C)N1C(=O)C1=CCC(C)(C)CC1
365624713	ZINC000576554025	ref	3.86	-7.11	0	243.31	2.502	2	3	3	Cc1ccc2c(c1)[C@@H](N[C@H](C)c1cn[nH]c1)CO2
342599303	ZINC000590830296	high	6.43	-9.98	0	275.396	1.675	0	3	4	CN1CCC(N(C)C(=O)CN(C)c2ccccc2)CC1
342599304	ZINC000590831574	ref	7.19	-49.22	1	276.384	1.414	2	2	2	C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C[C@@H]21
365624719	ZINC000576554025	mid	4.81	-40.3	1	243.31	2.502	2	2	3	Cc1ccc2c(c1)[C@@H]([NH2+][C@H](C)c1cn[nH]c1)CO2
365624727	ZINC000576558194	ref	5.17	-7.7	0	203.245	2.199	0	4	2	C[C@H]1C[C@H]1c1noc(-c2cccn2C)n1
342599305	ZINC000590831574	mid	7.27	-49.66	1	276.384	1.414	2	2	2	C[N@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C[C@@H]21
342599306	ZINC000590831574	high	5.01	-14.48	0	276.384	1.414	1	3	2	CN1CC[C@@H]2CN(C(=O)N[C@H]3CC[C@@H](CC#N)C3)C[C@@H]21
214178227	ZINC000337604126	ref	4.71	-9.82	0	277.32	2.464	1	4	5	CO[C@@H]1CCOc2c(NC(=O)CCC(C)=O)cccc21
342599307	ZINC000590830218	ref	5.44	-14.94	0	265.357	1.889	1	3	1	CC1(C)OCC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1
214178229	ZINC000337603384	ref	5.65	-7.6	0	290.354	2.185	1	2	4	CC(C)(C)CC(=O)NCC(=O)N1CCCC[C@@H]1C(F)F
178294514	ZINC000237047174	ref	6.18	-55.42	-1	359.176	1.047	0	5	4	CN(CC(=O)N1CC[C@H](C(=O)[O-])C1)C(=O)c1ccc(Br)o1
214178231	ZINC000337602398	ref	4.1	-21.4	0	269.312	0.954	3	5	4	Cc1cccc(NCCN=c2ncnc3[nH][nH]cc2-3)n1
214178233	ZINC000337602398	mid	4.54	-35.99	1	269.312	0.954	3	4	4	Cc1cccc(NCCN=c2ncnc3[nH][nH]cc2-3)[nH+]1
178294516	ZINC000237049233	ref	4.73	-46.45	1	360.502	1.705	2	3	7	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H]([NH3+])[C@@H](C)CC)CC1
214178234	ZINC000337602398	high	3.94	-33.23	-1	269.312	0.954	2	5	4	Cc1cccc(NCCN=c2ncnc3[nH][n-]cc2-3)n1
178294517	ZINC000237049233	high	4.4	-13.85	0	360.502	1.705	2	4	7	CCc1ccccc1NC(=O)CN1CCN(C(=O)[C@H](N)[C@@H](C)CC)CC1
178294518	ZINC000237051510	ref	7.47	-64.44	1	354.472	1.792	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(C)cc2C(=O)OC)CC1
214178236	ZINC000337603371	ref	6.44	-9.89	0	273.336	3.192	1	5	4	CC(=O)c1c(C)oc2ncnc(NC[C@H]3CC3(C)C)c12
214178238	ZINC000337602301	ref	6.13	-42.73	1	281.787	2.406	3	1	5	C[C@H](NC(=O)NCC[NH+]1CCC1)c1cccc(Cl)c1
365624694	ZINC000617388246	ref	2.41	-9.23	0	252.314	0.15	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCNC2=O)CCO1
178294520	ZINC000237043019	ref	4.79	-50.68	1	352.523	1.153	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1
178294523	ZINC000237043019	mid	7.0	-95.95	2	352.523	1.153	2	2	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1
214178239	ZINC000337602301	mid	2.95	-10.05	0	281.787	2.406	2	2	5	C[C@H](NC(=O)NCCN1CCC1)c1cccc(Cl)c1
214178241	ZINC000337603367	ref	4.18	-11.82	0	251.326	3.166	2	3	6	CCCC[C@@H](C)C(=O)Nc1ccc(OC)c(O)c1
214178243	ZINC000337604449	ref	7.23	-19.84	0	293.33	2.477	1	5	4	CCc1cccnc1NC(=O)c1cc(-n2cccn2)ccn1
214178245	ZINC000337602042	ref	-0.42	-12.5	0	260.334	-0.826	1	5	7	CCN(CCOCCO)C(=O)[C@H]1COCCN1C
214178247	ZINC000337603825	ref	3.62	-13.78	0	298.387	2.353	1	5	7	CO[C@H](C)c1noc(CN(C)C(=O)N[C@H](C)CC(C)C)n1
214178248	ZINC000337605034	ref	-3.26	-13.14	0	282.3	-0.266	4	5	5	NC(=O)c1cc(CNC(=O)NC[C@H]2CCC[C@H]2O)on1
365624701	ZINC000274326312	ref	0.1	-10.18	0	295.335	1.013	2	5	4	COc1ccc(O)c(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c1
370645397	ZINC000293466538	low	5.36	-43.19	1	252.289	1.485	2	2	5	COC[C@H]1CC[N@@H+]1CC(=O)Nc1cccc(F)c1
365624712	ZINC000274326312	high	1.06	-53.92	-1	295.335	1.013	1	5	4	COc1ccc([O-])c(C(=O)N2CCOC[C@H]2C[C@@H](C)O)c1
214178237	ZINC000278476930	ref	0.88	-13.93	0	308.304	1.484	3	4	6	CC[C@H](O)CCNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F
214178240	ZINC000278477696	ref	6.52	-39.97	1	311.397	2.202	2	3	10	COC[C@@H](C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1
214178242	ZINC000278477696	mid	6.53	-39.64	1	311.397	2.202	2	3	10	COC[C@@H](C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1
197598772	ZINC000290112453	ref	4.86	-10.85	0	292.379	2.947	2	3	5	CC[C@@H](CNC(=O)Nc1ccc2c(c1)CC(C)(C)O2)OC
365624722	ZINC000274327339	ref	4.06	-10.91	0	290.363	1.452	2	3	7	CCCN(C(=O)CNC(=O)Cc1ccc(O)cc1)C1CC1
370645404	ZINC000293466538	low	5.39	-39.36	1	252.289	1.485	2	2	5	COC[C@H]1CC[N@H+]1CC(=O)Nc1cccc(F)c1
214178244	ZINC000278477696	high	4.44	-6.99	0	311.397	2.202	1	4	10	COC[C@@H](C)OC[C@@H](O)CN(Cc1cccc(F)c1)C1CC1
342084128	ZINC000625345456	ref	6.55	-40.56	1	298.427	1.515	0	4	6	CCCN1CCN(CCOC2CCOCC2)C(C)(C)C1=O
365624731	ZINC000274323939	ref	7.47	-36.55	1	275.352	1.813	1	4	3	COC(=O)[C@@H]1CC12CC[NH+]([C@H](C)c1cnccn1)CC2
365624739	ZINC000274323939	mid	5.28	-8.14	0	275.352	1.813	0	5	3	COC(=O)[C@@H]1CC12CCN([C@H](C)c1cnccn1)CC2
365624747	ZINC000274326308	ref	4.67	-15.31	0	272.312	1.231	1	5	2	Cn1cc([C@@H]2CCN(C(=O)Nc3cncnc3)C2)cn1
214178246	ZINC000278476449	ref	8.07	-11.87	0	310.397	2.964	1	3	5	CO[C@@H](C(=O)NCc1ccc2c(n1)CCCC2)c1ccccc1
398247032	ZINC000191992449	low	2.53	-39.87	1	225.296	0.383	2	5	6	CC[N@@H+](CCO)[C@H](C)c1nnnn1C1CC1
214178249	ZINC000278476551	ref	10.01	-12.05	0	321.373	2.558	0	5	5	COC(=O)c1ccccc1N(C)C(=O)CCC(=O)OC(C)(C)C
214178251	ZINC000278476762	ref	3.72	-8.7	0	302.33	2.16	2	4	4	COc1cc(C)c(NC(=O)C(=O)NCc2ccoc2)cc1C
214178254	ZINC000278477280	ref	5.43	-21.14	0	319.405	2.443	2	3	4	COc1cc(C)c(NC(=O)N[C@@H]2CCN(C(C)C)C2=O)cc1C
342084129	ZINC000625345456	low	6.22	-42.54	1	298.427	1.515	1	3	6	CCCN1CC[N@H+](CCOC2CCOCC2)C(C)(C)C1=O
342084130	ZINC000625345456	low	6.55	-40.56	1	298.427	1.515	1	3	6	CCCN1CC[N@@H+](CCOC2CCOCC2)C(C)(C)C1=O
342084131	ZINC000625345739	ref	0.81	-6.37	0	251.33	1.54	1	5	3	C[C@@H]1CN(Cc2noc(C3CCC3)n2)CC[C@@H]1O
214178250	ZINC000337603979	ref	1.21	-15.0	0	272.345	-0.241	2	4	7	CCN(CCOCCO)C(=O)[C@@H]1CC(=O)N[C@H](C)C1
365624702	ZINC000617388176	ref	5.49	-20.23	0	264.329	0.683	1	4	3	Cc1nnc(CC(=O)N2CCO[C@](C)(C3CC3)C2)[nH]1
178294515	ZINC000001702785	ref	11.3	-25.95	1	244.317	4.04	0	0	0	Cc1cc2c3ccccc3ccc2[n+]2ccccc12
178294519	ZINC000285455513	ref	5.17	-42.46	1	230.311	2.355	2	1	3	Cc1cc2cc(C[NH2+][C@@H]3CCOC3)ccc2[nH]1
365624711	ZINC000617388858	ref	1.93	-16.53	0	269.345	0.461	2	3	4	C[C@H](CC(=O)N1CCO[C@](C)(C2CC2)C1)NC(N)=O
178294521	ZINC000285455513	high	4.01	-5.94	0	230.311	2.355	2	2	3	Cc1cc2cc(CN[C@@H]3CCOC3)ccc2[nH]1
178294522	ZINC000268706944	ref	2.64	-8.54	0	247.294	2.162	2	3	4	Cc1cc2cc(C(=O)NCCCO)oc2cc1C
365624720	ZINC000617387724	ref	4.2	-13.84	0	280.368	0.93	1	3	3	C[C@]1(C2CC2)CN(C(=O)C[C@H]2CCC(=O)NC2)CCO1
178294527	ZINC000020210665	ref	4.37	-11.49	0	245.278	2.26	1	3	2	Cc1cc2cc(C(=O)N[C@H]3CCOC3)ccc2o1
178294528	ZINC000262688432	ref	6.41	-29.64	1	242.326	1.914	4	2	2	Cc1cc2cc(CNC3=[NH+]C[C@@H](C)N3)ccc2[nH]1
178294531	ZINC000336444564	ref	6.06	-18.09	0	243.31	2.856	2	2	3	Cc1cc2c[nH]nc2cc1NC(=O)C[C@H]1C[C@@H]1C
178294534	ZINC000079337602	ref	6.79	-9.77	0	229.279	2.896	0	2	1	Cc1cc2cc(C(=O)N3CCC3)oc2cc1C
365624726	ZINC000617388209	ref	1.39	-7.62	0	255.314	0.165	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@]2(O)CCOC2)CCO1
365624736	ZINC000617387726	ref	4.21	-13.8	0	280.368	0.93	1	3	3	C[C@]1(C2CC2)CN(C(=O)C[C@@H]2CCC(=O)NC2)CCO1
178294540	ZINC000011985273	ref	7.54	-12.56	0	230.698	3.571	0	2	1	Cc1cc2cc(CC#N)c(Cl)nc2cc1C
398247033	ZINC000381280789	ref	5.95	-45.58	1	239.363	1.613	1	3	8	CC[C@@H](C)[C@@H](C[NH2+]CCc1cnn(C)c1)OC
178294547	ZINC000001924090	ref	7.05	-9.78	0	230.292	3.077	1	3	1	Cc1cc2cc(-c3cccs3)cn2c(=O)[nH]1
365624743	ZINC000617388245	ref	2.7	-7.54	0	252.314	0.15	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCNC2=O)CCO1
365624749	ZINC000617387924	ref	1.87	-11.35	0	283.368	0.803	1	4	3	C[C@@]1(C2CC2)CN(C(=O)C2(CO)CCOCC2)CCO1
178294552	ZINC000039105052	ref	7.18	-7.86	0	201.269	2.391	0	1	0	Cc1cc2c3c(c1)[C@H](C)CN3C(=O)CC2
398247037	ZINC000649444532	ref	6.32	-6.06	0	201.269	2.995	1	1	1	C=C(C)c1cccc2c1CCCC(=O)N2
178294557	ZINC000022409427	ref	1.91	-13.42	0	238.312	1.526	2	2	3	Cc1cc2cc(CNS(C)(=O)=O)ccc2[nH]1
365624760	ZINC000617390059	ref	4.46	-10.62	0	290.367	0.937	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCc3n[nH]nc3C2)CCO1
365624714	ZINC000643087733	ref	5.84	-10.73	0	294.399	1.84	0	6	5	COCc1nnc(N2CCCC[C@@H]2C)n1C[C@@H]1CCOC1
365624723	ZINC000172836354	ref	6.05	-36.76	1	250.346	1.356	2	2	4	CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cc[nH]n1
365624734	ZINC000172836354	mid	5.89	-34.71	1	250.346	1.356	2	2	4	CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cc[nH]n1
365624741	ZINC000172836354	mid	5.9	-38.44	1	250.346	1.356	2	2	4	CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccn[nH]1
365624746	ZINC000172836354	mid	5.74	-36.98	1	250.346	1.356	2	2	4	CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccn[nH]1
306234534	ZINC000557843016	mid	4.94	-118.18	2	336.48	1.465	4	2	5	CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1
306234535	ZINC000557843016	high	2.94	-49.67	1	336.48	1.465	3	3	5	CC(C)CN1CCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1
306234536	ZINC000557843299	ref	8.18	-15.44	0	345.443	1.816	1	3	4	CCNC(=O)N1CCN(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)CC1
282120756	ZINC000449149774	ref	6.91	-53.05	-1	278.352	2.399	1	4	5	Cc1ccncc1C(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
342599308	ZINC000616993365	ref	5.49	-36.76	1	276.384	1.635	2	3	3	Cc1nccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1
282120762	ZINC000449150068	ref	5.27	-44.39	1	282.428	2.225	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@H]2C)C1
365624753	ZINC000158195553	ref	3.95	-59.4	1	287.367	1.541	2	4	6	CC(C)c1ccc(NC(=O)Cn2cc(CC[NH3+])nn2)cc1
365624763	ZINC000172836814	ref	3.47	-21.28	0	278.352	1.593	2	3	8	CCOCCCCNC(=O)c1cccc(C(=O)NC)c1
365624774	ZINC000172838201	ref	6.5	-40.89	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)[nH]n1
342599309	ZINC000616993365	mid	5.49	-37.17	1	276.384	1.635	2	3	3	Cc1nccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1
342599310	ZINC000616993112	ref	4.41	-39.54	1	283.416	1.139	3	2	6	CCCC(=O)NCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365624788	ZINC000172838201	mid	6.3	-44.08	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)[nH]n1
342599311	ZINC000616993112	mid	4.4	-39.94	1	283.416	1.139	3	2	6	CCCC(=O)NCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365624795	ZINC000172838201	mid	6.64	-38.29	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n[nH]1
342599312	ZINC000590830546	ref	5.1	-18.64	0	287.266	1.574	2	4	5	COC(=O)Cc1cccc(NC(=O)NCC(C)(F)F)n1
365624805	ZINC000172838201	mid	6.49	-40.37	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)n[nH]1
342599313	ZINC000590830748	ref	6.13	-19.27	0	277.324	1.885	2	4	6	CC/C=C\CNC(=O)Nc1cccc(CC(=O)OC)n1
214178252	ZINC000337604680	ref	2.76	-10.38	0	259.346	0.659	1	4	7	CC[C@@H]1OCCC[C@@H]1C(=O)N(C)CCOCCO
214178253	ZINC000337605868	ref	1.78	-18.13	0	283.324	0.628	2	5	9	CCN(CCOCCO)C(=O)COc1ccc(O)cc1
342599314	ZINC000590831577	ref	6.61	-10.16	0	298.383	1.537	1	4	3	C[C@@H](NC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)C1CC1
214190293	ZINC000278495871	high	1.45	-13.35	0	322.405	1.783	3	5	8	COc1ccc(OC)c(NC(=O)CN[C@@H]2CCC[C@@H]2CCO)c1
342599315	ZINC000590830506	ref	4.81	-18.69	0	293.323	1.096	2	5	4	COC(=O)Cc1cccc(NC(=O)N[C@@H]2CCO[C@@H]2C)n1
342599316	ZINC000590830216	ref	5.48	-15.08	0	265.357	1.889	1	3	1	CC1(C)OCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1
214190295	ZINC000278495118	ref	2.2	-16.46	0	319.405	1.66	3	4	5	CC1(C)C[C@H](NC(=O)CNc2ccccc2C(N)=O)C(C)(C)O1
214190298	ZINC000278495442	ref	0.31	-8.79	0	306.753	1.817	2	5	4	Cc1nc(CNC(=O)c2cnc(Cl)cn2)ccc1[C@H](C)O
214190300	ZINC000278495828	ref	6.75	-46.77	1	306.431	2.125	2	4	5	C[C@H]1CCSCC[N@@H+]1C[C@@H](O)COc1ccc(C#N)cc1
214190301	ZINC000278495828	mid	6.61	-47.47	1	306.431	2.125	2	4	5	C[C@H]1CCSCC[N@H+]1C[C@@H](O)COc1ccc(C#N)cc1
214190303	ZINC000278495828	high	5.37	-8.85	0	306.431	2.125	1	5	5	C[C@H]1CCSCCN1C[C@@H](O)COc1ccc(C#N)cc1
214190305	ZINC000278494364	ref	6.83	-42.41	1	314.414	2.77	2	4	4	O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCC[N@@H+]1C1CC1
214190308	ZINC000278494364	mid	7.47	-39.85	1	314.414	2.77	2	4	4	O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCC[N@H+]1C1CC1
214190309	ZINC000278494364	mid	4.52	-13.9	0	314.414	2.77	1	5	4	O=C(Nc1ccc(-c2csnn2)cc1)[C@@H]1CCCN1C1CC1
214190312	ZINC000278494782	ref	6.71	-37.0	1	302.374	1.83	1	3	5	C[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCCCO1
214190315	ZINC000278495914	ref	5.39	-16.23	0	316.409	1.413	2	5	4	CCc1n[nH]cc1C(=O)N[C@H]1CCCN(c2cc(C)nn2C)C1
214190319	ZINC000278495481	ref	9.31	-10.33	0	302.418	3.435	0	3	4	C=CC[C@@H]1N(C(=O)c2cc(C(C)=O)cn2C)CCCC1(C)C
214190320	ZINC000278495581	ref	9.62	-38.94	1	320.502	3.461	2	3	5	C[C@H]1C[N@H+](Cc2ccccc2NC[C@H]2CCSC2)C[C@@H](C)O1
214190323	ZINC000278495581	mid	9.66	-38.96	1	320.502	3.461	2	3	5	C[C@H]1C[N@@H+](Cc2ccccc2NC[C@H]2CCSC2)C[C@@H](C)O1
214190326	ZINC000278495581	mid	7.26	-4.52	0	320.502	3.461	1	4	5	C[C@H]1CN(Cc2ccccc2NC[C@H]2CCSC2)C[C@@H](C)O1
214190328	ZINC000278495202	ref	6.44	-12.67	0	322.796	2.925	1	4	5	COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cnn(C)c1
365624716	ZINC000641592001	ref	5.43	-12.08	0	273.34	1.491	0	6	4	CO[C@@H]1C[C@H](N(C)c2ccc(-c3ccnn3C)nn2)C1
365624729	ZINC000641591519	ref	4.77	-10.96	0	283.129	1.86	0	5	3	Cc1cccc(OCc2nnn(C)n2)c1Br
365624745	ZINC000479746223	ref	2.82	-12.89	0	256.346	1.134	2	3	6	C=CCN(CCOC)C(=O)N[C@@H]1CC[C@@H](O)CC1
342084132	ZINC000608899769	ref	5.06	-48.57	1	262.338	1.957	1	4	4	CS[C@@H](C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
365624755	ZINC000641591717	ref	4.12	-10.26	0	251.351	1.907	1	3	3	CCCc1ccc(C(=O)N2C[C@@H]3C[C@]3(O)C2)s1
365624769	ZINC000641591723	ref	3.75	-7.91	0	282.409	1.71	0	3	2	Cc1cccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c1
365624775	ZINC000641591723	low	5.82	-41.5	1	282.409	1.71	1	2	2	Cc1cccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c1
282120759	ZINC000248958496	mid	4.48	-44.88	1	320.433	1.555	3	3	8	CCC[C@@]1(C)C(=O)NCC[N@H+]1C[C@@H](O)COCc1ccccc1
365624782	ZINC000641591723	low	5.92	-41.19	1	282.409	1.71	1	2	2	Cc1cccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c1
349533415	ZINC000594964748	high	2.31	-19.96	0	292.404	2.607	1	4	4	C[S@](=O)[C@H]1CCC[C@@H](NCc2cc3cccnc3o2)C1
365624790	ZINC000641591815	ref	5.27	-9.18	0	257.333	1.62	1	2	2	Cc1ccccc1C1(C(=O)N2C[C@@H]3C[C@]3(O)C2)CC1
365624799	ZINC000641591536	ref	4.56	-14.94	0	256.305	1.385	1	3	1	Cn1ccc2ccc(C(=O)N3C[C@H]4C[C@@]4(O)C3)cc21
365624810	ZINC000641591906	ref	1.61	-12.48	0	267.712	1.181	2	3	2	O=C(Cc1ccc(O)c(Cl)c1)N1C[C@H]2C[C@@]2(O)C1
365624819	ZINC000641591906	mid	2.38	-52.81	-1	267.712	1.181	1	3	2	O=C(Cc1ccc([O-])c(Cl)c1)N1C[C@H]2C[C@@]2(O)C1
365624826	ZINC000641591703	ref	4.14	-10.53	0	251.351	1.907	1	3	3	CCCc1ccc(C(=O)N2C[C@H]3C[C@@]3(O)C2)s1
365624836	ZINC000641592113	ref	4.8	-15.93	0	262.338	1.316	2	5	2	C[C@H]1CSC[C@H]1Nc1ccc2nc[nH]c(=O)c2n1
168365362	ZINC000353856825	ref	3.54	-56.42	1	233.377	1.588	1	2	5	CCC(CC)C[NH2+][C@H]1CCS(=O)(=O)[C@@H]1C
365624840	ZINC000641591666	ref	4.51	-15.86	0	281.381	1.732	1	5	5	C[C@@H](Nc1cc(C2CC2)ncn1)C1(S(C)(=O)=O)CC1
365624846	ZINC000641591666	low	5.15	-38.06	1	281.381	1.732	1	4	5	C[C@@H](Nc1cc(C2CC2)[nH+]cn1)C1(S(C)(=O)=O)CC1
365624854	ZINC000641591595	ref	4.32	-6.67	0	288.395	1.653	0	5	3	C[C@H]1C[C@H](N2CCOCC2)CN1c1cc(C2CC2)ncn1
365624859	ZINC000641591595	mid	6.79	-46.1	1	288.395	1.653	1	4	3	C[C@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C2CC2)ncn1
365624870	ZINC000641593481	ref	5.1	-11.11	0	287.363	1.704	2	5	4	Cc1nc(NCCC2(O)CCOCC2)nc2ccccc12
365624884	ZINC000641591889	ref	3.78	-11.8	0	261.321	1.601	1	3	3	CCOc1cc(C(=O)N2C[C@H]3C[C@@]3(O)C2)ccc1C
365624728	ZINC000336544062	ref	7.98	-42.84	1	276.38	2.317	1	2	3	CCc1oc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1C
365624735	ZINC000336544062	mid	5.57	-7.29	0	276.38	2.317	0	3	3	CCc1oc(C(=O)N(C)[C@@H]2CN3CCC2CC3)cc1C
365624740	ZINC000336544323	ref	6.9	-10.49	0	276.38	2.222	0	3	2	Cc1ccc(C(=O)N2CCC[C@H]([C@H]3CCOC3)C2)n1C
365624750	ZINC000336544070	ref	6.51	-10.08	0	287.359	2.346	0	3	3	COc1cccc(C2=CCN(C(=O)[C@@H]3CO[C@H](C)C3)C2)c1
365624758	ZINC000336544051	ref	6.44	-7.78	0	257.399	2.298	0	3	3	COC1CCC(N(C)C(=O)[C@H]2CCCS2)CC1
365624764	ZINC000336544157	ref	7.65	-10.32	0	291.301	2.136	0	3	3	O=C(CCn1cccn1)N1CCc2ccc(F)c(F)c2C1
365624773	ZINC000336544487	ref	8.95	-18.18	0	262.357	2.152	0	4	2	C[C@H]1c2nncn2CCN1C(=O)CC1CCCCC1
365624785	ZINC000336544298	ref	8.98	-13.99	0	288.326	2.124	0	4	2	C[C@H](C(=O)N1CCn2cnnc2[C@@H]1C)c1ccccc1F
178294525	ZINC000237043019	high	4.46	-13.85	0	352.523	1.153	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC(CC(=O)N2CCN(CC)CC2)CC1
365624796	ZINC000336543535	ref	7.99	-13.14	0	294.439	2.386	0	2	3	CC(C)C(=O)N1CCC(C(=O)N2CC[C@@H](C(C)C)C2)CC1
178294526	ZINC000237048702	ref	6.46	-59.13	1	365.499	1.298	1	3	7	CN(CC(=O)N1CCC([NH2+]CC2CC2)CC1)S(=O)(=O)c1ccccc1
178294529	ZINC000237053247	ref	8.52	-50.95	-1	354.406	1.678	1	4	6	CN1C[C@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O
178294532	ZINC000237046888	ref	2.86	-53.82	1	353.469	1.775	3	4	8	CC[NH2+]Cc1ccccc1NC(=O)CNS(=O)(=O)c1cccs1
365624807	ZINC000336543728	ref	8.36	-46.87	1	289.354	2.111	1	2	3	CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccc(F)c(C#N)c1
365624816	ZINC000336543728	mid	8.79	-46.14	1	289.354	2.111	1	2	3	CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)c1ccc(F)c(C#N)c1
365624820	ZINC000336543728	high	6.36	-13.4	0	289.354	2.111	0	3	3	CN1CCC[C@H](CN(C)C(=O)c2ccc(F)c(C#N)c2)C1
178294537	ZINC000237046888	high	2.47	-64.25	0	353.469	1.775	2	4	8	CC[NH2+]Cc1ccccc1NC(=O)C[N-]S(=O)(=O)c1cccs1
365624827	ZINC000336543890	ref	8.23	-13.67	0	292.423	2.139	0	2	3	CC(C)[C@H]1CCN(C(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)C1
168365363	ZINC000368506406	ref	3.72	-13.53	0	349.437	3.119	0	6	3	Cc1nc([C@H]2CCCN2S(=O)(=O)c2csc3ccccc23)no1
365624833	ZINC000336543605	ref	4.95	-8.07	0	294.326	2.237	1	3	1	C[C@H]1OCC[C@]12CN(C(=O)Nc1ccccc1F)CCO2
365624841	ZINC000336543735	ref	4.68	-47.97	-1	254.359	2.004	0	3	0	CC1(C)CCCCN(C(=O)N=c2[n-]ncs2)C1
214178255	ZINC000278476584	ref	5.92	-8.05	0	306.387	1.837	1	4	5	C#CCN(CC)C(=O)C(=O)Nc1ccc(SC)cc1OC
365624732	ZINC000122110397	ref	6.35	-18.36	0	298.427	2.228	1	3	9	CCCCN(CC(N)=O)C(=O)[C@H](CC)OC1CCCCC1
365624744	ZINC000121996435	ref	6.46	-14.58	0	276.384	2.094	0	4	5	CCCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1
365624765	ZINC000122069936	ref	8.39	-70.19	0	296.411	2.012	2	3	5	C[C@@H](C(=O)[O-])C(=O)NCC1([NH+]2CCCCC2)CCCCC1
365624780	ZINC000122137102	ref	7.43	-8.99	0	264.277	2.215	0	5	5	C=C(C)COc1cc(C(=O)OC)cc(C(=O)OC)c1
365624792	ZINC000122121434	ref	6.34	-9.72	0	294.37	2.291	0	3	6	COCCCCC(=O)N1CCN(c2ccccc2F)CC1
214178256	ZINC000278478297	ref	8.42	-12.98	0	316.445	3.469	1	2	7	CC(=O)NCCCCCC(=O)N1C[C@@H](C(C)C)c2ccccc21
192037477	ZINC000273075411	ref	7.74	-36.74	1	270.376	3.215	2	1	4	C[C@@]1([NH2+]Cc2cccc3[nH]ccc23)CCO[C@@H]1C1CC1
214178257	ZINC000278477673	ref	9.06	-9.26	0	307.415	3.367	0	4	4	O=C1C[C@H](CC(=O)N(c2ccsc2)C2CCCCC2)CO1
282120764	ZINC000248958496	mid	4.31	-45.24	1	320.433	1.555	3	3	8	CCC[C@@]1(C)C(=O)NCC[N@@H+]1C[C@@H](O)COCc1ccccc1
365624812	ZINC000122022469	ref	7.95	-38.18	1	255.406	2.158	2	1	8	CC[NH+](CC)[C@@H](C)CNC(=O)N(C)CCC1CC1
398247036	ZINC000191992436	ref	0.57	-12.67	0	225.296	0.383	1	6	6	CCN(CCO)[C@@H](C)c1nnnn1C1CC1
365624834	ZINC000122084393	ref	6.22	-14.03	0	284.425	2.343	1	4	5	CC(C)(C)[C@H](C#N)NC(=O)CSC[C@@H]1CCCCO1
365624857	ZINC000122164937	ref	3.98	-17.59	0	283.331	2.17	3	3	2	Cc1ccc(NC(=O)N[C@H]2c3ccccc3C[C@@H]2O)nc1
365624864	ZINC000122057100	ref	5.7	-10.0	0	268.401	2.368	2	2	2	C[C@@H]1CCC[C@H](NC(=O)N2CCC[C@@]2(C)CO)[C@@H]1C
342599317	ZINC000616993320	ref	5.82	-37.42	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
282120770	ZINC000248957339	ref	7.83	-83.71	2	311.445	1.799	2	1	3	C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1
342599318	ZINC000616993320	mid	5.76	-37.09	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599319	ZINC000590831470	ref	5.37	-20.57	0	281.113	1.831	1	3	1	N#CC1CN(C(=O)Nc2cc(Br)ccn2)C1
214178260	ZINC000278476865	ref	3.0	-7.53	0	318.295	2.178	1	4	4	C[C@@H]1COCC[C@H]1NC(=O)c1cccc(OCC(F)(F)F)n1
342599320	ZINC000626228097	ref	1.49	-17.14	0	262.309	1.554	3	3	3	Cc1cc(O)ccc1NC(=O)[C@H](C)[C@@H]1CCC(=O)N1
365624879	ZINC000122025324	ref	5.86	-9.45	0	272.414	2.116	1	3	7	C=C(C)COCCNC(=O)N1CCC[C@H]1CSC
349533417	ZINC000618807230	high	4.82	-11.8	0	298.39	1.939	2	3	2	CN1CCC[C@H](NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)C1
365624738	ZINC000576552361	ref	1.6	-9.85	0	249.314	1.179	3	3	5	C=CC[C@H](CO)NC(=O)Nc1cc(C)ncc1C
349533419	ZINC000618808581	ref	4.6	-23.72	0	277.303	1.111	0	5	4	C[C@@H](C(=O)N(C)Cc1cn(C)nn1)c1ncccc1F
365624752	ZINC000576552361	low	2.01	-31.96	1	249.314	1.179	3	2	5	C=CC[C@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C
365624762	ZINC000576560912	ref	2.93	-8.85	0	243.332	0.839	0	4	4	C[C@H](C1CC1)N(C)S(=O)(=O)c1ccnn1C
282120767	ZINC000449149818	ref	5.64	-46.43	1	291.37	2.477	2	3	7	CCC[C@@H](O)C[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1
398247040	ZINC000649444366	ref	7.68	-8.35	0	242.322	3.109	0	3	1	Cc1c(-c2cccc3c2OC(C)(C)C3)cnn1C
282120771	ZINC000449149818	high	5.22	-8.47	0	291.37	2.477	2	4	7	CCC[C@@H](O)CNCc1cn(C)nc1-c1ccc(F)cc1
398247045	ZINC000649444472	ref	6.22	-7.86	0	236.702	3.058	0	3	2	COc1ccc(-c2cnn(C)c2C)cc1Cl
197598787	ZINC000290113478	ref	5.15	-9.5	0	291.376	1.764	0	4	3	N#Cc1cncc(S(=O)(=O)N2CCC[C@@H](C3CC3)C2)c1
349533423	ZINC000618807773	ref	5.02	-18.84	0	289.339	1.269	0	6	5	CC(C)Oc1ccc(C(=O)N(C)Cc2cn(C)nn2)nc1
365624772	ZINC000576576995	ref	4.04	-43.17	1	240.347	2.437	2	3	7	CCC(CC)c1cc(C[NH2+][C@H](C)[C@H](C)O)on1
365624783	ZINC000576576995	mid	2.86	-6.21	0	240.347	2.437	2	4	7	CCC(CC)c1cc(CN[C@H](C)[C@H](C)O)on1
365624793	ZINC000576554024	ref	3.9	-8.86	0	243.31	2.502	2	3	3	Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cn[nH]c1)CO2
282123577	ZINC000533473994	mid	2.66	-7.72	0	295.408	1.372	2	4	3	C[C@H](O)[C@H]1CCCN(C(=O)c2csc(=NC3CC3)[nH]2)C1
398247049	ZINC000649444416	ref	3.24	-9.56	0	247.298	1.816	0	5	5	COCCOc1ccc(-c2cnn(C)c2C)cn1
342084133	ZINC000608899769	mid	4.6	-15.49	0	262.338	1.957	1	5	4	CS[C@@H](C)C(=O)Nc1cnn(-c2ccncc2)c1
342084134	ZINC000625346234	ref	6.43	-6.6	0	268.401	1.602	0	3	7	CCO[C@H](CN1CCN(CC(C)C)C(=O)C1)C1CC1
282123578	ZINC000533473994	mid	2.88	-35.8	-1	295.408	1.372	1	4	3	C[C@H](O)[C@H]1CCCN(C(=O)c2csc(=NC3CC3)[n-]2)C1
342084135	ZINC000625346234	mid	7.97	-43.46	1	268.401	1.602	1	2	7	CCO[C@H](C[N@@H+]1CCN(CC(C)C)C(=O)C1)C1CC1
342084136	ZINC000625346234	mid	8.05	-44.11	1	268.401	1.602	1	2	7	CCO[C@H](C[N@H+]1CCN(CC(C)C)C(=O)C1)C1CC1
342084137	ZINC000625346033	ref	5.28	-18.24	0	294.301	1.77	1	2	4	O=C1NC[C@H](C(=O)N(CC(F)F)C2CC2)c2ccccc21
342084138	ZINC000625346271	ref	4.83	-7.56	0	296.383	1.939	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCC[C@H]2C)C[C@@H](C)C1(F)F
282120773	ZINC000248957339	mid	8.15	-83.12	2	311.445	1.799	2	1	3	C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)C[NH2+]2)C1
185090618	ZINC000096081685	ref	3.6	-9.62	0	296.411	1.125	0	4	5	COCCN1CCO[C@H]2CN(C(=O)CC3CCCC3)C[C@H]21
306234537	ZINC000557847852	ref	3.44	-13.59	0	331.42	1.597	2	4	5	COCCN1CCN(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CC1
307041609	ZINC000364127130	mid	8.33	-83.64	2	300.443	1.569	2	3	7	CCOC(C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OCC
349533420	ZINC000594966269	ref	7.03	-9.51	0	271.32	2.631	1	3	6	Cc1ccncc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1
342084139	ZINC000625346032	ref	5.37	-18.34	0	294.301	1.77	1	2	4	O=C1NC[C@@H](C(=O)N(CC(F)F)C2CC2)c2ccccc21
342084140	ZINC000625345754	ref	4.75	-8.55	0	262.3	1.662	0	2	0	C[C@H]1CN(C(=O)N2CCOCC2)C[C@@H](C)C1(F)F
342084141	ZINC000625345547	ref	3.39	-11.57	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2cnn(C)c2)C[C@H](C)C1(F)F
168365364	ZINC000083354093	ref	6.25	-5.36	0	225.307	3.682	1	2	6	CCC(CC)CNc1ccc(F)c(OC)c1
342084142	ZINC000625346278	ref	3.63	-9.27	0	292.383	1.78	0	5	4	CCN1CCN(Cc2noc(C3CCC3)n2)C(C)(C)C1=O
214178263	ZINC000278476440	ref	4.68	-6.68	0	317.364	2.553	0	5	4	Fc1cccc(Cc2noc(CN3CCO[C@@H]4CCC[C@H]43)n2)c1
222609254	ZINC000222503811	ref	7.37	-15.75	0	394.924	3.925	1	3	6	CC[C@H](NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl)c1ccc(C)cc1
349533422	ZINC000594966269	high	7.03	-9.51	0	271.32	2.631	1	4	6	Cc1ccncc1CCNCc1ccc([N+](=O)[O-])cc1
349533425	ZINC000594964685	ref	3.58	-13.99	0	275.801	2.712	1	2	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2ccc(Cl)o2)C1
349533428	ZINC000594964685	high	3.58	-13.99	0	275.801	2.712	1	3	4	C[S@](=O)[C@H]1CCC[C@@H](NCc2ccc(Cl)o2)C1
349533431	ZINC000594964539	ref	6.26	-57.0	1	295.448	2.783	1	2	5	COc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)ccc1C
214178266	ZINC000278476523	ref	4.23	-11.57	0	303.387	2.148	1	5	4	O=C1CCN(Cc2ccc(Sc3ccccn3)o2)CCN1
214178267	ZINC000278476523	mid	6.14	-48.35	1	303.387	2.148	2	4	4	O=C1CC[N@H+](Cc2ccc(Sc3ccccn3)o2)CCN1
133427990	ZINC000306425278	ref	4.8	-12.58	0	164.208	0.935	0	2	2	CN(CC#N)C(=O)C1CC=CC1
214178268	ZINC000278476523	mid	6.28	-48.78	1	303.387	2.148	2	4	4	O=C1CC[N@@H+](Cc2ccc(Sc3ccccn3)o2)CCN1
349533434	ZINC000594965701	ref	7.03	-10.22	0	271.32	2.631	1	3	6	Cc1ccncc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1
349533437	ZINC000594965701	high	7.03	-10.22	0	271.32	2.631	1	4	6	Cc1ccncc1CCNCc1cccc([N+](=O)[O-])c1
178294538	ZINC000237050285	ref	3.07	-62.81	1	374.528	1.409	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)CC1
342599321	ZINC000590840079	ref	6.79	-40.77	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)nc12
349533427	ZINC000618807836	ref	5.43	-47.81	1	285.391	1.856	1	3	5	COCCN1CC[C@H]([NH2+][C@@H]2CCc3cc(C#N)ccc32)C1
178294542	ZINC000237054856	ref	3.93	-57.72	1	361.467	1.98	2	3	8	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCCC[NH3+])cc1
178294544	ZINC000237049799	ref	7.81	-51.95	-1	358.394	1.944	1	5	9	CCN(CCC(=O)[O-])C(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
178294549	ZINC000237047043	ref	6.58	-55.93	-1	373.203	1.437	0	5	4	CN(CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)C(=O)c1ccc(Br)o1
178305634	ZINC000002583529	ref	6.81	-7.75	0	222.631	3.105	0	3	1	Cc1cc2ncccc2c([N+](=O)[O-])c1Cl
398247041	ZINC000191992436	low	1.84	-41.4	1	225.296	0.383	2	5	6	CC[N@H+](CCO)[C@@H](C)c1nnnn1C1CC1
187169769	ZINC000125098231	ref	7.38	-41.46	1	282.334	2.279	2	1	3	C[C@@H](C(=O)NC1CC[NH+](C)CC1)c1c(F)cccc1F
349533430	ZINC000618810100	ref	5.29	-9.17	0	271.357	1.482	1	4	5	COC(=O)C[C@@H]1CCCCN1C(=O)CCC(C)(C)O
349533433	ZINC000618807232	ref	7.57	-47.92	1	298.39	1.939	3	2	2	C[N@@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1
349533436	ZINC000618807232	mid	7.04	-45.65	1	298.39	1.939	3	2	2	C[N@H+]1CCC[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1
168365365	ZINC000368505927	ref	4.53	-9.17	0	339.399	3.149	2	5	6	CCc1[nH]ccc1C(=O)N[C@H](c1nc(-c2ccncc2)no1)C(C)C
187169770	ZINC000125098231	high	4.99	-8.91	0	282.334	2.279	1	2	3	C[C@@H](C(=O)NC1CCN(C)CC1)c1c(F)cccc1F
349533439	ZINC000618807232	high	4.69	-11.72	0	298.39	1.939	2	3	2	CN1CCC[C@@H](NC(=O)N[C@H]2CCc3cc(C#N)ccc32)C1
349535916	ZINC000093290593	ref	5.05	-19.37	0	290.283	0.723	2	6	5	Cn1cnc(CNC(=O)NCc2ccccc2[N+](=O)[O-])n1
222609257	ZINC000125797395	ref	9.57	-18.56	0	333.432	1.35	0	4	7	COCC(=O)N(C)CC(=O)N(C)Cc1ccccc1N1CCCC1
168365715	ZINC000019265529	high	3.07	-9.91	0	192.222	-0.157	1	5	2	C[C@@H](N)Cn1nc2ccccn2c1=O
349535921	ZINC000093300812	ref	2.21	-8.36	0	294.355	0.15	2	5	2	CCc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)n(C)n1
349535926	ZINC000093301411	ref	2.16	-7.48	0	280.299	0.993	2	3	1	C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(F)c2)C[C@H]1O
349535930	ZINC000093300174	ref	2.53	-8.37	0	294.355	0.632	2	5	2	CC(C)n1nccc1NC(=O)C(=O)N1CC[C@H](C)[C@H](O)C1
365624748	ZINC000354685917	ref	0.76	-8.03	0	256.268	1.645	3	2	6	C[C@@H](CO)CCCNC(=O)N[C@H](C)C(F)(F)F
342599322	ZINC000590840079	mid	6.31	-36.77	1	286.379	1.729	2	3	3	Cc1cccn2cc(C[N@@H+]3C[C@@H](C(N)=O)CC[C@@H]3C)nc12
342599323	ZINC000590840079	mid	4.62	-17.14	0	286.379	1.729	1	4	3	Cc1cccn2cc(CN3C[C@@H](C(N)=O)CC[C@@H]3C)nc12
365624759	ZINC000354685943	ref	4.28	-12.63	0	286.319	1.712	1	3	4	C[C@@H]1CN(C(=O)NCCSCC(F)(F)F)CCO1
365624766	ZINC000354686038	ref	3.73	-10.8	0	289.416	1.683	1	4	10	CCC(C)(C)C(=O)N(C)C[C@H](O)COCCOC(C)C
342599324	ZINC000590830497	ref	7.16	-20.42	0	277.324	1.813	1	4	4	CC[C@@H]1CCN1C(=O)Nc1cccc(CC(=O)OC)n1
342599325	ZINC000616993073	ref	8.48	-46.53	1	292.427	1.9	2	3	6	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCCn2ccnc2)C1
185090620	ZINC000096081685	mid	6.62	-35.5	1	296.411	1.125	1	3	5	COCC[N@@H+]1CCO[C@H]2CN(C(=O)CC3CCCC3)C[C@H]21
342599326	ZINC000616993073	mid	8.54	-46.95	1	292.427	1.9	2	3	6	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCn2ccnc2)C1
185090621	ZINC000096081685	mid	5.75	-40.08	1	296.411	1.125	1	3	5	COCC[N@H+]1CCO[C@H]2CN(C(=O)CC3CCCC3)C[C@H]21
365624777	ZINC000354686174	ref	3.12	-10.21	0	258.281	1.911	1	5	4	CC(C)Oc1ccc(NC(=O)c2cncnc2)cn1
185090623	ZINC000096081541	ref	3.09	-17.1	0	291.351	0.447	1	4	3	CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccoc3)C[C@H]2N1C(C)=O
342599327	ZINC000616993073	low	9.0	-79.02	2	292.427	1.9	2	2	6	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1
342599328	ZINC000616993073	low	9.05	-79.35	2	292.427	1.9	2	2	6	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2)C1
365624789	ZINC000354684746	ref	10.53	-25.87	0	294.322	1.649	1	8	3	Cc1cc(N[C@H](C)c2nnc3ccccn23)n2ncnc2n1
365624797	ZINC000354685491	ref	3.83	-14.97	0	297.443	1.67	2	3	7	CCC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](NC(=O)CC)C1
185090625	ZINC000096081541	mid	4.14	-52.74	1	291.351	0.447	2	3	3	CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3ccoc3)C[C@H]2N1C(C)=O
342599329	ZINC000590831541	ref	4.5	-15.64	0	251.33	1.501	1	3	2	C[C@]1(C#N)CCCN(C(=O)NC[C@H]2CCCO2)C1
295666619	ZINC000412988353	ref	8.68	-10.15	0	304.419	2.722	0	6	6	CC(C)(C)n1nnnc1SCC(=O)CCc1ccccc1
342599330	ZINC000590830703	ref	3.05	-20.63	0	295.339	1.078	3	5	6	CC[C@H](NC(=O)Nc1cccc(CC(=O)OC)n1)[C@@H](C)O
342599331	ZINC000616993414	ref	2.9	-36.92	1	265.357	1.833	2	3	3	Cc1ocnc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599332	ZINC000616993414	mid	2.85	-36.74	1	265.357	1.833	2	3	3	Cc1ocnc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214178269	ZINC000278476398	ref	6.3	-14.44	0	315.377	2.429	1	6	6	COC(C)(C)CC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
282120774	ZINC000151588749	ref	7.01	-11.74	0	307.415	2.185	0	4	4	O=C(CSc1ccccc1)N1CCO[C@@H]([C@H]2CCCO2)C1
349533441	ZINC000594964745	ref	6.31	-14.19	0	290.432	2.646	1	2	4	Cc1cc(C[NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1C#N
342084143	ZINC000608900487	ref	4.84	-55.3	1	255.281	1.756	1	4	3	CC(C)(C#N)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
342084144	ZINC000608900487	mid	4.38	-20.76	0	255.281	1.756	1	5	3	CC(C)(C#N)C(=O)Nc1cnn(-c2ccncc2)c1
342084145	ZINC000625346342	ref	1.81	-8.7	0	256.318	1.064	1	2	3	CCNS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
282120786	ZINC000151605404	ref	5.37	-11.19	0	319.405	2.061	1	4	7	COCCC1(CNC(=O)N2CC[C@H](Oc3ccncc3)C2)CC1
214178272	ZINC000278476615	ref	6.32	-14.42	0	303.318	1.127	0	6	4	Cn1cncc1C(=O)N1CCOC[C@H]1CC(=O)c1ccco1
342084146	ZINC000625346341	ref	1.9	-7.82	0	256.318	1.064	1	2	3	CCNS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084147	ZINC000625345568	ref	4.89	-10.24	0	277.32	1.464	0	4	2	CN(C(=O)[C@]1(C)COc2ccccc2O1)[C@@H]1CCOC1
342084148	ZINC000625345510	ref	1.32	-41.19	1	265.357	1.47	1	5	5	CC[C@]1(CO)CCCN(Cc2cncc(OC)n2)C1
342084149	ZINC000625345510	mid	1.98	-41.41	1	265.357	1.47	2	4	5	CC[C@]1(CO)CCC[N@H+](Cc2cncc(OC)n2)C1
342084150	ZINC000625345510	mid	1.32	-41.19	1	265.357	1.47	2	4	5	CC[C@]1(CO)CCC[N@@H+](Cc2cncc(OC)n2)C1
342084151	ZINC000625345550	ref	5.2	-9.12	0	292.351	1.937	0	3	2	C[C@H]1CN(S(=O)(=O)c2cccn2C)C[C@@H](C)C1(F)F
342084152	ZINC000625345517	ref	3.17	-31.98	1	251.33	1.684	1	5	4	CC[C@@]1(O)CCN(Cc2noc(C3CCC3)n2)C1
342084153	ZINC000625345517	low	3.09	-31.75	1	251.33	1.684	2	4	4	CC[C@@]1(O)CC[N@H+](Cc2noc(C3CCC3)n2)C1
349533443	ZINC000594964745	high	6.31	-14.19	0	290.432	2.646	1	3	4	Cc1cc(CN[C@@H]2CCC[C@@H]([S@](C)=O)C2)ccc1C#N
349533446	ZINC000594966596	ref	5.72	-48.86	1	271.451	2.836	1	2	4	Cc1sccc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
349533449	ZINC000594965748	ref	7.67	-8.38	0	292.448	2.787	1	2	9	C=CCCSCC[NH2+]Cc1ccccc1C(=O)N(C)C
190492416	ZINC000269413388	ref	7.2	-14.01	0	289.379	2.829	1	3	3	C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cn1)C(C)(C)C
214190294	ZINC000337636893	ref	6.93	-7.64	0	287.407	2.491	2	3	6	C[C@H]1CCC[C@H]1CNC(=O)c1ccc(NCC2CC2)nc1
343994544	ZINC000079933844	ref	6.56	-12.84	0	292.342	2.458	2	4	5	N#Cc1ccc(CNc2ccc(C(=O)NC3CC3)cn2)cc1
343994548	ZINC000139408705	ref	3.77	-37.29	-1	191.545	2.093	0	3	1	O=[N+]([O-])c1c([O-])ccc(Cl)c1F
370645399	ZINC000236878118	high	2.52	-9.8	0	290.285	2.171	2	3	7	CCC[C@H](N)C(=O)NCc1c(F)cccc1OC(F)F
282120776	ZINC000248957339	high	6.59	-37.67	1	311.445	1.799	2	2	3	C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1
197598799	ZINC000290112522	ref	5.0	-12.08	0	286.372	2.782	2	3	5	CCSc1cccc(F)c1NC(=O)N(C)[C@@H](C)CO
197598809	ZINC000290113612	ref	6.37	-6.78	0	261.365	2.808	2	2	5	C=C[C@](C)(O)CC(=O)N[C@H](C)c1ccc(C)c(C)c1
342084154	ZINC000625345517	low	3.17	-31.98	1	251.33	1.684	2	4	4	CC[C@@]1(O)CC[N@@H+](Cc2noc(C3CCC3)n2)C1
197598816	ZINC000290110594	ref	5.31	-11.91	0	292.404	2.895	2	3	4	CC[C@H](C)[C@@H](C)NC(=O)c1ccc2c(c1)SCC(=O)N2
197598822	ZINC000290113803	ref	3.36	-8.6	0	264.354	1.93	1	5	4	CC(C)c1scnc1C(=O)NCc1ccnn1C
197598826	ZINC000290111458	ref	2.01	-10.47	0	269.301	0.396	0	7	8	COCCc1nc(CN(CC(=O)OC)C2CC2)no1
197598829	ZINC000290113820	ref	8.18	-18.92	0	289.766	2.952	0	3	3	Cc1cccc(N(C)C(=O)Cc2ccc(C)nc2Cl)n1
197598831	ZINC000290112432	ref	5.65	-7.98	0	261.325	2.212	1	3	2	C[C@@H]1COCCN1C(=O)Nc1cc(C2CC2)ccn1
178294551	ZINC000237049737	ref	4.86	-41.51	1	354.545	1.445	1	5	5	CCc1nc(CN2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cs1
342084155	ZINC000625346340	ref	2.05	-7.66	0	256.318	1.064	1	2	3	CCNS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084156	ZINC000625345718	ref	2.32	-9.9	0	296.333	1.634	1	3	7	CCCN(CC(F)(F)F)C(=O)CN1CCC[C@@H]1CCO
342084157	ZINC000625345718	mid	4.7	-36.34	1	296.333	1.634	2	2	7	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CCC[C@@H]1CCO
342084158	ZINC000625345718	mid	5.21	-37.77	1	296.333	1.634	2	2	7	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CCC[C@@H]1CCO
342084159	ZINC000625346419	ref	0.8	-5.81	0	281.356	1.301	1	6	6	CCO[C@@H](CN1C[C@@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084160	ZINC000625346419	mid	3.4	-35.09	1	281.356	1.301	2	5	6	CCO[C@@H](C[N@@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342084161	ZINC000625346419	mid	3.04	-36.39	1	281.356	1.301	2	5	6	CCO[C@@H](C[N@H+]1C[C@@H](O)C[C@@H]1c1nc(C)no1)C1CC1
342088559	ZINC000121412493	ref	4.94	-45.51	1	277.29	1.208	2	3	4	Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)C(F)(F)F)C2)cn1
342088560	ZINC000121412493	mid	4.73	-45.13	1	277.29	1.208	2	3	4	Cn1cc(C[C@H]2CC[N@@H+](C[C@H](O)C(F)(F)F)C2)cn1
342088561	ZINC000121412493	high	2.13	-7.38	0	277.29	1.208	1	4	4	Cn1cc(C[C@H]2CCN(C[C@H](O)C(F)(F)F)C2)cn1
342088562	ZINC000121525887	ref	4.93	-6.56	0	261.325	1.472	1	4	3	Cc1cc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)ncn1
168365719	ZINC000336282089	ref	0.62	-97.21	2	199.298	0.064	2	1	3	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH3+]
398247042	ZINC000650868723	high	4.36	-8.95	0	283.416	1.68	1	3	6	CC(C)O[C@H]1CCCN(C(=O)NCCN(C)C2CC2)C1
178294555	ZINC000237049737	high	3.63	-9.93	0	354.545	1.445	1	6	5	CCc1nc(CN2CCN(C(=O)C[C@@H]3CSCCN3)CC2)cs1
178294558	ZINC000237048187	ref	8.27	-48.95	1	357.462	1.311	2	6	7	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)N1CCC[C@H](C[NH2+]C)C1
178294560	ZINC000237050685	ref	3.79	-52.75	1	374.551	1.013	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
178294563	ZINC000237050685	high	3.49	-10.6	0	374.551	1.013	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1
282120777	ZINC000533447635	mid	5.37	-38.44	1	254.374	1.546	2	2	4	C[N@@H+](CC(=O)NC1CCCCC1)C1CCOCC1
178294564	ZINC000237043946	ref	4.85	-53.22	1	367.515	1.835	2	3	7	CC[NH2+]CC1CCN(C(=O)c2cccc(S(=O)(=O)NC(C)C)c2)CC1
178294567	ZINC000237051864	ref	4.14	-57.78	1	373.544	1.437	2	4	8	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(CCNC(C)=O)s2)CC1
178294569	ZINC000237043862	ref	2.83	-53.13	1	353.488	1.329	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
178294574	ZINC000237043862	high	2.52	-13.92	0	353.488	1.329	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccccc2)CC1
343994550	ZINC000079939790	ref	5.71	-21.65	0	277.372	2.053	2	4	2	Cc1nnc2n1CCC[C@@H]2NC(=O)NC1CCCCC1
178294576	ZINC000237042025	ref	10.24	-64.24	-1	358.438	1.961	0	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccc2c(c1)CCCC2
214178273	ZINC000278478061	ref	9.4	-41.33	1	317.477	3.158	2	3	4	CC1=C[C@H](C)C[C@@H](C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)C1
343994556	ZINC000079928005	ref	6.82	-43.39	1	292.408	2.216	2	5	6	c1nc(NCCCC[NH+]2CCOCC2)c2sccc2n1
178294579	ZINC000237048989	ref	5.09	-51.5	1	360.502	1.76	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
178294581	ZINC000237048989	high	4.75	-14.55	0	360.502	1.76	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)Nc2c(C)cccc2C)CC1
178294583	ZINC000237053847	ref	7.71	-52.26	1	360.437	1.362	1	5	6	C[NH2+]CC1CCN(C(=O)[C@@H](Cc2cccc(F)c2)n2nnnc2C)CC1
178294586	ZINC000237053738	ref	5.79	-50.87	1	370.247	1.513	2	3	4	CN(CC(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2)C(=O)c1ccc(Br)o1
133427991	ZINC000306433191	ref	1.42	-8.79	0	178.195	-0.432	1	4	2	CC#CCNC(=O)c1cnnn1C
197598803	ZINC000162879670	ref	3.56	-11.96	0	314.476	2.183	2	5	5	CC(C)c1nc(CCNC(=O)C2(O)CCSCC2)cs1
197598806	ZINC000162882954	ref	6.08	-47.74	1	318.87	2.32	1	3	8	CCC[NH2+]Cc1ccc(Cl)cc1N(C)CCS(C)(=O)=O
365624757	ZINC000274326772	ref	0.38	-15.58	0	271.338	1.184	0	5	4	COc1cccc(CS(=O)(=O)[C@@H]2CCCOC2)n1
370645401	ZINC000566200791	ref	3.01	-56.37	1	254.374	1.389	1	2	2	CCC1(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)CCOCC1
365624771	ZINC000274326794	ref	3.67	-9.33	0	251.33	1.732	2	3	4	CC(C)O[C@@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1(C)C
349533450	ZINC000594965748	high	7.67	-8.38	0	292.448	2.787	1	3	9	C=CCCSCCNCc1ccccc1C(=O)N(C)C
349533453	ZINC000594965836	ref	2.63	-10.68	0	279.321	2.608	1	6	5	C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1cscn1
190492419	ZINC000269414116	ref	5.33	-6.5	0	256.318	3.325	1	4	4	CSC[C@H](C)Nc1nc(C(F)(F)F)cs1
197598808	ZINC000162881148	ref	3.71	-45.79	1	300.362	1.447	2	4	5	C[C@H](NC(=O)[C@H]1CC[NH2+]C1)c1nc(Cc2ccccc2)no1
342599333	ZINC000590830078	ref	7.69	-14.09	0	297.362	1.311	1	3	2	CC(=O)N1CCN(c2ccc(=[NH+]c3ccccc3)[n-]n2)CC1
349533456	ZINC000594965836	mid	2.63	-10.68	0	279.321	2.608	2	6	5	C[C@@H](NCc1cc(O)ccc1[N+](=O)[O-])c1cscn1
342599334	ZINC000616993363	ref	5.49	-37.42	1	276.384	1.635	2	3	3	Cc1nccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1
349533459	ZINC000594965491	ref	7.83	-52.56	1	291.46	2.955	1	1	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCC3)C1
349533461	ZINC000594965577	ref	4.83	-13.83	0	295.448	2.783	1	2	5	COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
349533463	ZINC000594965577	high	4.83	-13.83	0	295.448	2.783	1	3	5	COc1ccc(C)cc1CN[C@@H]1CCC[C@H]([S@](C)=O)C1
190492423	ZINC000269413002	ref	3.71	-19.33	0	290.348	2.473	1	7	5	CCCn1c(CO)nnc1Sc1nc2ccccc2o1
349533465	ZINC000594965574	ref	4.83	-13.61	0	295.448	2.783	1	2	5	COc1ccc(C)cc1C[NH2+][C@@H]1CCC[C@H]([S@@](C)=O)C1
349533466	ZINC000594965574	high	4.83	-13.61	0	295.448	2.783	1	3	5	COc1ccc(C)cc1CN[C@@H]1CCC[C@H]([S@@](C)=O)C1
349533469	ZINC000594966276	ref	6.59	-5.17	0	253.415	2.692	1	3	10	C=CCCSCC[NH2+]Cc1ccnn1CCC
370645409	ZINC000566200849	ref	4.69	-44.18	1	293.758	1.34	1	4	4	C[C@H](C[NH3+])N(C)C(=O)c1cn(-c2ccc(Cl)cc2)nn1
349533470	ZINC000594966276	high	6.59	-5.17	0	253.415	2.692	1	4	10	C=CCCSCCNCc1ccnn1CCC
197598813	ZINC000162879790	ref	5.84	-43.76	-1	307.268	2.464	0	4	8	CCOc1ccc(OCC(=O)[N-]OCCC(F)(F)F)cc1
365624781	ZINC000274326621	ref	1.4	-39.96	1	270.76	1.401	3	2	6	C[C@H](CC(N)=O)[NH2+]C[C@](C)(O)c1cccc(Cl)c1
365624761	ZINC000623053913	mid	1.53	-72.26	0	300.362	1.314	2	3	3	[NH3+]C1(CNC(=O)c2nc3ccccc3c(=O)[n-]2)CCCCC1
365624770	ZINC000623054294	ref	3.76	-48.7	1	324.356	1.965	2	4	3	O=C(N[C@@H]1CCC[NH2+]C1)c1nnc(-c2c(F)cccc2F)s1
178294562	ZINC000079961483	ref	6.76	-6.91	0	243.306	3.188	1	2	2	Cc1cc2cc(C(=O)N[C@@H]3C[C@H]3C)oc2cc1C
365624778	ZINC000623054784	ref	5.52	-50.05	1	319.796	1.603	2	4	5	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@H]([NH3+])C1CC1
365624787	ZINC000623054484	ref	2.75	-56.08	1	311.407	1.306	2	3	3	CN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1
365624798	ZINC000623054117	ref	3.14	-48.47	1	310.329	1.575	2	4	3	O=C(N[C@H]1CC[NH2+]C1)c1nnc(-c2c(F)cccc2F)s1
365624804	ZINC000623054670	ref	4.39	-38.53	1	300.362	1.265	2	3	2	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[nH]1
365624813	ZINC000623054670	mid	3.33	-45.03	0	300.362	1.265	1	3	2	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1
365624823	ZINC000623055014	ref	3.49	-50.67	1	300.362	1.041	3	3	3	C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@H]1CCC[NH2+]C1
365624832	ZINC000623055014	mid	2.44	-75.96	0	300.362	1.041	2	3	3	C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@H]1CCC[NH2+]C1
365624843	ZINC000623055013	ref	3.76	-51.63	1	300.362	1.041	3	3	3	C[C@@H](NC(=O)c1nc2ccccc2c(=O)[nH]1)[C@@H]1CCC[NH2+]C1
365624849	ZINC000623055013	mid	2.69	-77.75	0	300.362	1.041	2	3	3	C[C@@H](NC(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCC[NH2+]C1
365624856	ZINC000623054534	ref	3.82	-50.55	1	303.362	1.721	3	3	2	O=C(Nc1ccc2c(c1)OCCO2)N[C@@H]1CC12CC[NH2+]CC2
178294565	ZINC000353800422	ref	7.8	-38.89	1	228.339	3.364	2	0	3	Cc1cc2cc(C[NH2+]C3CC(C)C3)ccc2[nH]1
398247043	ZINC000076778398	ref	3.14	-17.46	0	246.361	1.72	2	5	4	CSC[C@H](C)NC(=O)Nc1nnc(C)s1
398247047	ZINC000076779979	ref	2.34	-8.65	0	247.298	2.32	2	3	3	COc1ncccc1NC(=O)N[C@H]1CC=CCC1
178294577	ZINC000071340609	ref	6.17	-95.88	-2	219.196	1.873	1	4	2	Cc1cc2cc(C(=O)[O-])[nH]c2cc1C(=O)[O-]
365624865	ZINC000623054138	ref	3.07	-41.78	1	304.213	1.777	2	3	6	O=C(NCCC[NH2+]C1CC1)c1ncc(Br)s1
365624873	ZINC000623053948	ref	0.34	-59.49	1	316.361	1.353	4	3	3	[NH3+]C1(CNC(=O)Nc2ccc3c(c2)C(=O)NC3=O)CCCCC1
398247053	ZINC000558903132	ref	3.21	-12.47	0	237.259	0.85	1	5	3	COc1cncnc1NC(=O)C1CCOCC1
178294584	ZINC000000199221	ref	9.01	-7.81	0	249.273	3.475	0	4	1	Cc1cc2c3nonc3ccc2n1-c1ccccc1
349533473	ZINC000594966595	ref	5.72	-51.97	1	271.451	2.836	1	2	4	Cc1sccc1C[NH2+][C@@H]1CCC[C@H]([S@](C)=O)C1
365624767	ZINC000617390059	mid	4.54	-15.46	0	290.367	0.937	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCc3[nH]nnc3C2)CCO1
365624776	ZINC000617390059	mid	4.54	-11.69	0	290.367	0.937	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCc3nn[nH]c3C2)CCO1
342599335	ZINC000616993363	mid	5.43	-37.2	1	276.384	1.635	2	3	3	Cc1nccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1
342599336	ZINC000616993323	ref	5.82	-36.56	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599337	ZINC000616993323	mid	5.81	-37.12	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599338	ZINC000590830278	ref	5.47	-49.58	1	254.374	1.356	1	2	2	CN(C(=O)C1(C)CCOCC1)C1CC[NH+](C)CC1
342599339	ZINC000590830278	high	3.08	-6.92	0	254.374	1.356	0	3	2	CN1CCC(N(C)C(=O)C2(C)CCOCC2)CC1
342599340	ZINC000616993087	ref	4.99	-40.59	1	256.39	1.65	2	2	6	COCCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365624784	ZINC000617388134	ref	3.72	-8.21	0	294.355	0.566	0	6	5	COCCn1cc(C(=O)N2CCO[C@@](C)(C3CC3)C2)nn1
365624794	ZINC000617390056	ref	4.78	-10.68	0	290.367	0.937	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCc3n[nH]nc3C2)CCO1
365624803	ZINC000617390056	mid	4.84	-15.67	0	290.367	0.937	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCc3[nH]nnc3C2)CCO1
365624808	ZINC000617390056	mid	4.84	-11.45	0	290.367	0.937	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCc3nn[nH]c3C2)CCO1
365624817	ZINC000617388566	ref	5.21	-12.57	0	278.356	0.775	0	5	4	Cn1cc(CCC(=O)N2CCO[C@@](C)(C3CC3)C2)nn1
299072453	ZINC000358088268	high	4.65	-7.36	0	308.47	1.62	1	3	4	CC(C)CN1CCN(C(=O)N[C@H](C)C2=CCN(C)CC2)CC1
299072457	ZINC000358088684	ref	6.9	-13.89	0	322.317	1.423	0	6	5	COc1cc(C(=O)N2CCOC[C@H]2CC(C)=O)ccc1[N+](=O)[O-]
299072461	ZINC000358088145	ref	8.85	-92.08	2	308.47	1.761	3	1	3	CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C
365624825	ZINC000617388831	ref	5.01	-8.31	0	251.326	0.906	0	3	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2[C@H]3COC[C@H]32)CCO1
365624837	ZINC000617390269	ref	6.02	-16.76	0	293.367	0.964	0	5	5	Cn1nccc1COCC(=O)N1CCO[C@@](C)(C2CC2)C1
365624842	ZINC000617390674	ref	3.49	-8.28	0	250.302	0.456	0	5	2	Cn1nncc1C(=O)N1CCO[C@](C)(C2CC2)C1
365624851	ZINC000617388206	ref	1.14	-6.76	0	255.314	0.165	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@]2(O)CCOC2)CCO1
342599341	ZINC000616993087	mid	4.92	-40.17	1	256.39	1.65	2	2	6	COCCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342084162	ZINC000608904097	ref	5.67	-19.73	0	279.384	1.88	2	3	7	CCC[C@H](C#N)NC(=O)C[C@H](C)NC(=O)C1CCCC1
398247044	ZINC000191992436	low	2.28	-41.63	1	225.296	0.383	2	5	6	CC[N@@H+](CCO)[C@@H](C)c1nnnn1C1CC1
370645403	ZINC000356294400	mid	6.42	-43.72	1	279.384	2.067	3	2	8	CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(C(C)=O)[nH]1
214178274	ZINC000278478125	ref	6.95	-13.77	0	306.353	3.275	1	2	4	O=C(NCCc1cccs1)N1CC[C@H](CC(F)(F)F)C1
214178275	ZINC000278477560	ref	9.65	-13.57	0	322.825	2.664	0	7	3	CCn1cnnc1[C@@H]1CCCN(c2nc(Cl)c(C#N)s2)C1
342084163	ZINC000608905321	ref	6.96	-54.03	1	278.312	1.233	2	3	3	O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1
342084164	ZINC000608905321	high	4.56	-15.11	0	278.312	1.233	1	4	3	O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@@H](N2CCCC2)C1
342084165	ZINC000608906296	ref	8.83	-49.11	1	292.339	1.244	1	4	3	Cn1c(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-]
342084166	ZINC000608906296	high	6.46	-10.06	0	292.339	1.244	0	5	3	Cn1c(C(=O)N2CC[C@@H](N3CCCC3)C2)ccc1[N+](=O)[O-]
214178276	ZINC000278477849	ref	5.01	-33.76	1	311.447	2.676	2	4	5	CSc1cc2c(cc1C[NH2+][C@H](CO)C(C)(C)C)OCCO2
214178277	ZINC000278477849	high	3.93	-6.72	0	311.447	2.676	2	5	5	CSc1cc2c(cc1CN[C@H](CO)C(C)(C)C)OCCO2
214178278	ZINC000278476897	ref	6.96	-12.95	0	301.386	3.133	1	3	3	Cc1ccc2c(CC(=O)N[C@@H]3CCOC[C@H]3C)coc2c1C
214178279	ZINC000278476521	ref	7.75	-47.42	1	306.406	2.666	1	3	6	COCCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1
365624791	ZINC000274326898	ref	5.04	-8.93	0	267.325	1.953	0	5	6	CCOC(=O)[C@H]1CCCN1Cc1ccc(COC)o1
342084167	ZINC000625346711	ref	0.2	-7.61	0	251.33	1.684	1	5	5	OCC[C@@H]1CCCN1Cc1noc(C2CCC2)n1
342084168	ZINC000625346711	low	2.58	-31.85	1	251.33	1.684	2	4	5	OCC[C@@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1
214178281	ZINC000278476211	ref	4.57	-45.26	1	302.216	2.23	1	3	3	Cn1ncc(Br)c1C[NH2+][C@H]1CCOC(C)(C)C1
342084169	ZINC000625346711	low	3.43	-31.9	1	251.33	1.684	2	4	5	OCC[C@@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1
342084170	ZINC000608902146	ref	5.59	-17.39	0	268.386	1.159	1	5	4	Cc1nc2n(n1)C[C@H](NC(=O)CSC(C)C)CC2
342084171	ZINC000625346570	ref	5.96	-15.89	0	259.309	1.504	0	4	2	Cc1cc(C(=O)N(C)[C@H]2CCOC2)c2nccn2c1
214178282	ZINC000278476211	high	3.39	-5.9	0	302.216	2.23	1	4	3	Cn1ncc(Br)c1CN[C@H]1CCOC(C)(C)C1
349533475	ZINC000594964684	ref	4.16	-11.39	0	275.801	2.712	1	2	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(Cl)o2)C1
370645405	ZINC000119114377	ref	7.73	-48.83	1	285.391	3.269	1	3	5	Cc1noc(C[NH2+][C@H]2CCCC[C@H]2Cc2ccccc2)n1
342599342	ZINC000616993528	ref	4.5	-38.9	1	254.374	1.259	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1
365624801	ZINC000274326898	low	7.29	-35.33	1	267.325	1.953	1	4	6	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(COC)o1
178294587	ZINC000237054818	ref	4.0	-59.0	1	361.467	1.979	2	3	6	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCC(C)(C)[NH3+])cc1
214178280	ZINC000293505376	ref	0.59	-19.5	0	357.457	0.752	1	6	6	Cc1c(S(=O)(=O)NCc2ccccc2CS(C)(=O)=O)cnn1C
365624806	ZINC000274326898	low	6.85	-34.03	1	267.325	1.953	1	4	6	CCOC(=O)[C@H]1CCC[N@H+]1Cc1ccc(COC)o1
365624818	ZINC000274325480	ref	3.61	-20.51	0	298.412	1.255	2	5	7	CO[C@H](C)CCNC(=O)NCCc1cn2c(n1)SCC2
342599343	ZINC000616993528	mid	4.47	-38.29	1	254.374	1.259	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1
197598832	ZINC000162887058	ref	5.28	-10.95	0	317.216	2.568	2	2	7	CNC(=O)CNC(=O)CCCCc1ccc(Cl)c(Cl)c1
398247046	ZINC000650868689	ref	6.88	-86.06	2	284.448	1.358	4	1	10	CC(C)C[N@H+](C)CCCNC(=O)NCC[NH+](C)C1CC1
342599344	ZINC000590830234	ref	4.09	-10.79	0	255.293	1.201	1	3	1	CC1(C)OCC[C@@H]1NC(=O)N1CC[C@](F)(C#N)C1
342599345	ZINC000590830282	ref	6.8	-44.89	1	264.373	1.378	1	3	3	CCn1nc(C)cc1C(=O)N(C)C1CC[NH+](C)CC1
365624828	ZINC000637719587	ref	5.21	-12.29	0	277.368	1.545	0	4	5	CCCCN(C(=O)[C@@H]1COCCN1C)c1ccccn1
342599346	ZINC000590830282	high	4.43	-8.51	0	264.373	1.378	0	4	3	CCn1nc(C)cc1C(=O)N(C)C1CCN(C)CC1
342599347	ZINC000616993427	ref	5.17	-40.45	1	264.373	1.27	2	3	3	Cn1nccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365624838	ZINC000274324764	ref	7.32	-46.0	1	299.378	1.771	3	3	6	C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)Nc1cncnc1
282120778	ZINC000192703453	ref	8.2	-49.45	1	337.468	2.808	1	6	8	CCC(CC)(C[NH2+][C@@H](C)c1nnnn1C1CCCCC1)C(=O)OC
342599348	ZINC000616993427	mid	5.2	-40.93	1	264.373	1.27	2	3	3	Cn1nccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599349	ZINC000590830553	ref	7.95	-20.83	0	289.335	1.813	1	4	4	COC(=O)Cc1cccc(NC(=O)N2CC[C@@H]2C2CC2)n1
342599350	ZINC000616993316	ref	6.22	-45.88	1	278.4	1.428	2	3	4	Cc1cnn(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1
342599351	ZINC000616993316	mid	6.17	-45.53	1	278.4	1.428	2	3	4	Cc1cnn(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1
365624847	ZINC000274324764	high	4.94	-11.96	0	299.378	1.771	2	4	6	CN(C)C[C@H](Cc1ccccc1)NC(=O)Nc1cncnc1
136228660	ZINC000061096955	ref	4.55	-8.03	0	236.29	2.237	2	2	5	C=CCNC(=O)[C@@H](C)Nc1ccc(F)c(C)c1
398247050	ZINC000417636707	ref	0.45	-51.66	1	243.351	0.696	3	2	5	CC(C)[C@H]([NH3+])CNC(=O)NC[C@@]1(C)CCOC1
398247057	ZINC000191981844	ref	5.87	-30.31	1	202.301	2.626	0	1	1	Cc1c[nH+]ccc1N1C[C@@H]2CCC[C@H]2C1
214178283	ZINC000278476113	ref	5.09	-59.24	1	303.374	2.047	2	3	7	O[C@H](C[NH2+]C[C@H]1CCSC1)COc1ccc(F)c(F)c1
214178284	ZINC000278476753	ref	4.1	-12.42	0	317.393	1.582	2	5	3	Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCOC[C@@H]2C)[nH]n1
178294595	ZINC000353801782	ref	7.71	-37.13	1	230.355	3.61	2	0	4	Cc1cc2cc(C[NH2+][C@@H](C)C(C)C)ccc2[nH]1
214190297	ZINC000337632832	ref	10.53	-36.38	1	288.435	3.123	1	1	5	CC[NH+](CC)CC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C
365624802	ZINC000576554024	mid	4.82	-40.25	1	243.31	2.502	2	2	3	Cc1ccc2c(c1)[C@H]([NH2+][C@@H](C)c1cn[nH]c1)CO2
365624811	ZINC000379910992	ref	8.75	-5.6	0	247.367	2.697	1	4	5	CCc1cc(CC)nc(NCc2cccs2)n1
185090627	ZINC000096081541	mid	4.11	-50.64	1	291.351	0.447	2	3	3	CNC(=O)[C@@H]1C[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]2N1C(C)=O
398247062	ZINC000004829188	ref	9.66	-6.94	0	224.303	4.041	0	1	3	CC(C)c1ccc(C(=O)c2ccccc2)cc1
365624822	ZINC000576561119	ref	3.95	-8.89	0	243.347	1.592	1	3	9	COC[C@H](C)CC(=O)NCCOCC1CCC1
365624829	ZINC000576563003	ref	5.24	-8.79	0	235.331	2.312	2	2	4	CCC1(NC(=O)NCC2(C#N)CC2)CCCC1
190492428	ZINC000269407988	ref	5.61	-8.36	0	263.732	2.152	2	5	5	Nc1nc(Cl)cc(NCCCc2ccccn2)n1
365624844	ZINC000576554472	ref	3.67	-10.19	0	249.31	2.063	2	3	5	COc1cc(CNC(=O)C[C@@H]2C[C@H]2C)ccc1O
349533477	ZINC000594964684	high	4.16	-11.39	0	275.801	2.712	1	3	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(Cl)o2)C1
365624852	ZINC000576555888	ref	5.17	-8.66	0	233.377	2.093	0	2	4	C[C@H](C1CC1)N(C)S(=O)(=O)CC(C)(C)C
222609258	ZINC000291778781	ref	5.69	-15.08	0	319.327	1.972	1	4	3	Cc1cc(C(F)(F)F)nn1CC(=O)N1CCCC[C@H]1[C@@H](C)O
349533479	ZINC000594965982	ref	8.33	-42.65	1	293.455	2.74	3	1	7	O=C(NCCCC1CCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1
185090629	ZINC000096081580	ref	2.39	-8.19	0	262.309	0.877	0	4	4	C=CCN1C(=O)CO[C@H]2CN(Cc3ccoc3)C[C@H]21
185090632	ZINC000096081580	low	5.15	-47.21	1	262.309	0.877	1	3	4	C=CCN1C(=O)CO[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]21
349533482	ZINC000594965982	mid	5.84	-6.82	0	293.455	2.74	3	1	7	O=C(NCCCC1CCCC1)N[C@@H]1CC[N@@H+](CC2CC2)C1
365624868	ZINC000576553934	ref	6.39	-11.35	0	247.342	2.161	1	3	4	C=CC(C)(C)CNC(=O)c1cnc2n1CCCC2
365624809	ZINC000354685491	mid	6.49	-43.82	1	297.443	1.67	3	2	7	CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC)C1
365624815	ZINC000354685491	mid	5.96	-44.75	1	297.443	1.67	3	2	7	CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC)C1
365624821	ZINC000354685920	ref	0.76	-8.04	0	256.268	1.645	3	2	6	C[C@H](CO)CCCNC(=O)N[C@H](C)C(F)(F)F
365624830	ZINC000354684948	ref	1.29	-16.38	0	296.371	1.633	2	5	6	Cc1noc([C@H]2CCCN2C(=O)NCCC[C@@H](C)CO)n1
365624839	ZINC000354684437	ref	5.8	-43.26	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1
178294590	ZINC000237048668	ref	6.99	-51.23	1	357.462	1.359	3	6	8	CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCC[C@H]1CCC[NH2+]C1
398247051	ZINC000650868689	mid	6.9	-86.02	2	284.448	1.358	4	1	10	CC(C)C[N@@H+](C)CCCNC(=O)NCC[NH+](C)C1CC1
342599352	ZINC000590831578	ref	6.62	-11.18	0	298.383	1.537	1	4	3	C[C@@H](NC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)C1CC1
214178285	ZINC000278477008	ref	8.81	-21.32	0	324.38	2.091	0	4	4	COc1cccc(C2=CCN(C(=O)Cn3ccc(C)cc3=O)C2)c1
214178287	ZINC000278478002	ref	4.85	-16.34	0	324.446	1.639	1	3	5	CCS(=O)(=O)NCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C
398247052	ZINC000650868689	mid	6.88	-85.77	2	284.448	1.358	4	1	10	CC(C)C[NH+](C)CCCNC(=O)NCC[N@H+](C)C1CC1
365624848	ZINC000354684437	mid	5.14	-42.01	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1
365624853	ZINC000354684437	high	3.49	-7.89	0	269.389	1.289	1	3	2	CO[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@@H](C)C2)C1
398247055	ZINC000650868689	mid	6.9	-86.02	2	284.448	1.358	4	1	10	CC(C)C[NH+](C)CCCNC(=O)NCC[N@@H+](C)C1CC1
365624860	ZINC000354685894	ref	7.06	-20.48	0	280.715	1.183	2	5	4	Cn1cnnc1NC(=O)[C@H](CO)c1ccc(Cl)cc1
365624871	ZINC000354686588	ref	4.73	-18.71	0	296.277	1.37	2	4	7	O=C(COC(F)F)NCCc1nc(-c2ccccc2)n[nH]1
365624885	ZINC000354686588	mid	5.04	-21.27	0	296.277	1.37	2	4	7	O=C(COC(F)F)NCCc1nnc(-c2ccccc2)[nH]1
168365366	ZINC000368502693	ref	9.54	-15.38	0	328.375	3.364	1	3	2	N#Cc1ccc(C(=O)N2CC=C(c3cc4cccnc4[nH]3)CC2)cc1
342599353	ZINC000616993532	ref	4.49	-39.56	1	254.374	1.259	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1
342599354	ZINC000616993532	mid	4.46	-39.04	1	254.374	1.259	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1
342599355	ZINC000590830559	ref	5.71	-22.05	0	283.303	1.667	2	4	6	COC(=O)Cc1cccc(NC(=O)NCC[C@H](C)F)n1
342599356	ZINC000616993319	ref	7.18	-39.68	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599357	ZINC000616993319	mid	7.12	-39.27	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365624814	ZINC000172840659	ref	2.7	-12.29	0	287.367	1.794	0	6	3	Cc1ccc(N2CCCN(Cc3ncc(C)o3)CC2)nn1
365624824	ZINC000172840659	low	4.76	-42.53	1	287.367	1.794	1	5	3	Cc1ccc(N2CCC[N@@H+](Cc3ncc(C)o3)CC2)nn1
365624831	ZINC000172840659	low	4.4	-42.65	1	287.367	1.794	1	5	3	Cc1ccc(N2CCC[N@H+](Cc3ncc(C)o3)CC2)nn1
178294593	ZINC000237050859	ref	4.42	-52.78	1	367.515	1.51	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
178294596	ZINC000237050859	high	4.11	-11.47	0	367.515	1.51	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
365624835	ZINC000172840594	ref	5.2	-12.46	0	299.367	1.945	0	3	3	O=S(=O)(CC1CCOCC1)N1CCc2ccc(F)cc21
365624845	ZINC000111477163	ref	6.87	-61.7	-1	283.368	1.762	0	4	4	CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1
365624863	ZINC000172843693	ref	5.72	-12.86	0	294.376	1.568	1	4	5	COc1cccc(O[C@H](C)CN2C(=O)[C@H](C)NC2=S)c1
365624872	ZINC000643087799	ref	6.9	-11.43	0	296.415	1.942	0	6	7	COCc1nnc(N(C)[C@@H](C)C(C)C)n1C[C@@H]1CCOC1
178294598	ZINC000237043892	ref	1.87	-53.13	1	359.517	1.391	2	4	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
342599358	ZINC000590830558	ref	5.71	-21.69	0	283.303	1.667	2	4	6	COC(=O)Cc1cccc(NC(=O)NCC[C@@H](C)F)n1
365624880	ZINC000172836479	ref	2.77	-9.9	0	284.743	1.36	2	3	6	CC(=O)NCC(=O)NC[C@@H](C)Oc1cccc(Cl)c1
365624900	ZINC000172842311	ref	3.54	-11.86	0	258.277	1.195	1	3	3	CCN(C(=O)c1ccc2c(c1)C(=O)NC2=O)C1CC1
365624907	ZINC000172842311	high	1.73	-46.41	-1	258.277	1.195	0	3	3	CCN(C(=O)c1ccc2c(c1)C(=O)[N-]C2=O)C1CC1
365624921	ZINC000565303619	ref	4.3	-16.25	0	297.318	1.671	1	7	6	COC[C@@H](NCc1cnc2c(C#N)cnn2c1)c1ccco1
365624931	ZINC000565303619	low	5.5	-64.3	1	297.318	1.671	1	6	6	COC[C@@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccco1
365624941	ZINC000565303663	ref	4.18	-16.18	0	297.318	1.671	1	7	6	COC[C@H](NCc1cnc2c(C#N)cnn2c1)c1ccco1
222609261	ZINC000283773544	ref	5.06	-13.08	0	307.394	1.425	2	3	8	C=CCNC(=O)CN1C(=O)N[C@](CCC(C)C)(C2CC2)C1=O
342599359	ZINC000590830705	ref	3.15	-18.43	0	295.339	1.078	3	5	6	CC[C@H](NC(=O)Nc1cccc(CC(=O)OC)n1)[C@H](C)O
168365367	ZINC000083355095	ref	5.92	-5.01	0	226.751	3.892	1	2	5	CCC(CC)CNc1c(C)ccnc1Cl
365624850	ZINC000336543537	ref	8.78	-40.93	1	275.396	2.032	1	2	1	Cc1ccn(C)c1C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C
365624861	ZINC000336543537	mid	8.8	-43.03	1	275.396	2.032	1	2	1	Cc1ccn(C)c1C(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C
365624869	ZINC000336543537	mid	6.54	-7.79	0	275.396	2.032	0	3	1	Cc1ccn(C)c1C(=O)N1C[C@@H]2CCCCN2C[C@H]1C
365624877	ZINC000336544557	ref	3.6	-14.3	0	262.285	2.047	1	4	1	C[C@H]1CCN(C(=O)Nc2cnns2)CC1(F)F
342084172	ZINC000608903758	ref	4.96	-23.41	0	277.368	1.634	2	3	5	C[C@H](CC(=O)NC1(C#N)CCC1)NC(=O)C1CCCC1
365624886	ZINC000336544114	ref	6.87	-9.76	0	290.794	2.461	0	2	2	O=C1[C@@H](N2CCc3c(Cl)cccc3C2)CCN1C1CC1
365624890	ZINC000336544114	low	9.48	-42.43	1	290.794	2.461	1	1	2	O=C1[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)CCN1C1CC1
365624904	ZINC000336544114	low	9.48	-39.98	1	290.794	2.461	1	1	2	O=C1[C@@H]([N@H+]2CCc3c(Cl)cccc3C2)CCN1C1CC1
365624913	ZINC000336543840	ref	3.08	-22.39	0	272.308	2.011	2	3	2	Cc1cc(C(=O)N2CCC[C@H]2C(N)=O)c2[nH]ncc2c1
365624916	ZINC000336543840	mid	3.12	-30.74	0	272.308	2.011	2	3	2	Cc1cc(C(=O)N2CCC[C@H]2C(N)=O)c2n[nH]cc2c1
365624925	ZINC000336543885	ref	2.02	-42.01	-1	287.718	2.172	1	3	3	O=C(c1cc(F)c([O-])c(Cl)c1)N1CCC[C@@H]1CCO
365624932	ZINC000336543885	low	1.24	-8.68	0	287.718	2.172	2	3	3	O=C(c1cc(F)c(O)c(Cl)c1)N1CCC[C@@H]1CCO
365638859	ZINC000274370882	mid	6.71	-104.71	2	295.402	1.745	3	2	6	C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cncc(F)c2)CC1
365638860	ZINC000274370882	high	4.6	-37.2	1	295.402	1.745	2	3	6	C[C@H](O)C[NH+]1CCC(CN(C)Cc2cncc(F)c2)CC1
365638863	ZINC000274370976	ref	1.55	-12.78	0	292.339	1.821	3	5	6	CCc1nn(C)cc1NC(=O)N[C@@H](CCO)c1ccco1
365638865	ZINC000274371169	ref	2.2	-13.58	0	279.315	1.45	3	2	4	CC1CC(NC(=O)N[C@@H](C(N)=O)c2ccc(F)cc2)C1
365638868	ZINC000274367780	ref	2.93	-11.14	0	288.273	1.689	1	4	3	O=C(Nc1cncnc1)C1CCN(CC(F)(F)F)CC1
365638870	ZINC000274368368	ref	0.33	-12.2	0	262.269	1.099	3	5	4	C[C@](O)(CNC(=O)Nc1cncnc1)c1ccco1
342084173	ZINC000608903820	ref	4.79	-19.37	0	279.384	1.88	2	3	6	CC[C@](C)(C#N)NC(=O)C[C@@H](C)NC(=O)C1CCCC1
342084174	ZINC000608903822	ref	4.79	-22.55	0	279.384	1.88	2	3	6	CC[C@](C)(C#N)NC(=O)C[C@H](C)NC(=O)C1CCCC1
365638872	ZINC000274370171	ref	1.94	-14.15	0	289.335	1.742	3	3	5	CC(C)[C@@H](NC(=O)NCc1coc2ccccc12)C(N)=O
365638876	ZINC000274370893	ref	3.25	-7.8	0	263.316	1.464	1	3	4	O=C(NC1CC1)[C@H]1CCCN1Cc1cncc(F)c1
365624855	ZINC000645272844	ref	3.36	-8.92	0	252.358	1.64	3	2	5	CC#CC[C@@H](CO)NC(=O)NCC1(C)CCCC1
343994552	ZINC000139409594	ref	2.97	-6.86	0	170.256	0.953	1	2	3	CCC(CC)N1C(=O)CN[C@@H]1C
365624866	ZINC000637719586	ref	5.39	-12.37	0	277.368	1.545	0	4	5	CCCCN(C(=O)[C@H]1COCCN1C)c1ccccn1
282120780	ZINC000248957339	high	6.91	-34.75	1	311.445	1.799	2	2	3	C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[C@H](F)CN2)C1
282120787	ZINC000248956651	ref	3.41	-11.9	0	314.794	1.603	1	4	3	C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)cc2C#N)[C@H]1CO
342084175	ZINC000625344766	ref	1.71	-33.01	1	284.787	1.544	3	3	4	C[C@@H]1CN(Cc2cc(O)ccc2Cl)CC[N@@H+]1CCO
365624878	ZINC000353180325	ref	4.02	-47.84	1	298.386	1.654	3	2	7	[NH3+][C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccccc1
365624888	ZINC000353180325	mid	3.7	-8.94	0	298.386	1.654	3	3	7	N[C@@H](C(=O)NC[C@@H](CO)Cc1ccccc1)c1ccccc1
370645406	ZINC000236884202	ref	4.26	-45.61	1	269.776	2.067	1	2	5	CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)Cc1ccc(Cl)nc1
370645413	ZINC000236884202	high	3.98	-7.12	0	269.776	2.067	1	3	5	CC[C@@H](C)[C@H](N)C(=O)N(C)Cc1ccc(Cl)nc1
365624898	ZINC000274326148	ref	5.25	-11.16	0	283.335	1.831	1	4	2	O=C(Nc1cncnc1)N1CCN(c2ccccc2)CC1
370645423	ZINC000236882985	ref	5.63	-44.87	1	282.428	2.232	2	2	6	CCCOC1(CNC(=O)C2CC[NH2+]CC2)CCCCC1
365624914	ZINC000637717843	ref	4.69	-10.35	0	289.383	1.543	2	4	5	C[C@@H](CC1CCC1)NC(=O)NC1CN(c2ccncn2)C1
370645431	ZINC000566200443	high	4.31	-41.11	1	269.433	1.693	1	2	6	CCN1CCCC[C@H]1C(=O)N(C)CC[C@@H]([NH3+])C(C)C
365624926	ZINC000274327450	ref	4.82	-6.87	0	299.124	1.736	1	4	3	COC(=O)C1(C(=O)Nc2ccncc2Br)CC1
370645435	ZINC000236884176	ref	7.39	-44.08	-1	295.335	2.253	0	5	5	CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])o2)C1(C)C
365624938	ZINC000274326918	ref	6.13	-55.87	-1	297.38	1.148	1	6	6	CC(C)(CC(=O)NCCc1cn2c(n1)SCC2)C(=O)[O-]
370645437	ZINC000566203779	ref	1.84	-54.83	1	261.247	1.567	2	2	4	C[C@H]([NH3+])CCNC(=O)c1cccnc1C(F)(F)F
342084176	ZINC000625344766	mid	1.58	-31.75	1	284.787	1.544	3	3	4	C[C@@H]1CN(Cc2cc(O)ccc2Cl)CC[N@H+]1CCO
342084177	ZINC000625344766	mid	-0.6	-5.94	0	284.787	1.544	2	4	4	C[C@@H]1CN(Cc2cc(O)ccc2Cl)CCN1CCO
342084178	ZINC000625344766	high	0.12	-44.33	-1	284.787	1.544	1	4	4	C[C@@H]1CN(Cc2cc([O-])ccc2Cl)CCN1CCO
342084179	ZINC000625344761	ref	4.71	-7.64	0	284.4	1.125	0	4	6	CC[C@@H]1C(=O)N(CC)CCN1CCOC1CCOCC1
342084180	ZINC000625344761	mid	6.34	-41.54	1	284.4	1.125	1	3	6	CC[C@@H]1C(=O)N(CC)CC[N@H+]1CCOC1CCOCC1
398247054	ZINC000649444415	ref	3.41	-11.44	0	232.283	1.767	1	4	4	Cc1c(-c2cccc(OCCO)c2)cnn1C
365624858	ZINC000625044586	ref	3.58	-11.0	0	319.467	2.07	1	4	6	CCOC1(CS(=O)(=O)N[C@H]2CCCC2(C)C)CCOCC1
365624867	ZINC000625041777	ref	6.79	-14.9	0	300.402	2.485	2	2	3	C[C@H](C(=O)N[C@@H]1CCCCc2ccccc21)[C@@H]1CCC(=O)N1
178294600	ZINC000237043892	high	1.56	-13.73	0	359.517	1.391	2	5	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2cccs2)CC1
342599360	ZINC000590840167	ref	1.95	-15.1	0	296.392	1.183	2	3	5	NS(=O)(=O)c1ccc(CC(=O)NCC2CCCC2)cc1
178294602	ZINC000237049263	ref	4.08	-49.85	1	366.893	1.796	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
178294605	ZINC000237049263	high	3.77	-11.73	0	366.893	1.796	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)Nc2ccccc2Cl)CC1
178294607	ZINC000237051273	ref	3.41	-52.91	1	357.451	1.032	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
178294610	ZINC000237051273	high	3.11	-11.42	0	357.451	1.032	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1
365624876	ZINC000625044451	ref	4.37	-32.66	1	310.825	2.342	2	3	4	Oc1ccc(Cl)c(CN2CC[NH+](C[C@@H]3CCCO3)CC2)c1
365624881	ZINC000625044451	mid	2.03	-5.41	0	310.825	2.342	1	4	4	Oc1ccc(Cl)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1
365624889	ZINC000625044451	high	2.87	-43.6	-1	310.825	2.342	0	4	4	[O-]c1ccc(Cl)c(CN2CCN(C[C@@H]3CCCO3)CC2)c1
365624901	ZINC000625042943	ref	5.68	-17.94	0	323.274	2.487	2	3	3	O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1
365624909	ZINC000625042943	high	4.53	-44.55	-1	323.274	2.487	1	3	3	O=C(N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(=O)[n-]cn1
365624917	ZINC000625042727	ref	6.9	-45.94	1	315.339	2.101	2	2	4	C[NH+]1CCC(CNC(=O)Cc2cc(C(F)(F)F)ccn2)CC1
365624928	ZINC000625042028	ref	6.41	-16.53	0	307.438	2.408	2	2	6	CCC[C@@H](NC(=O)N[C@H]1CCN(C2CCC2)C1=O)C1CCC1
365624940	ZINC000625043071	ref	3.73	-10.3	0	300.362	2.026	2	5	7	CNc1cnc(C(=O)NCCCOc2ccc(C)cc2)cn1
178294612	ZINC000237042838	ref	4.82	-51.11	1	374.304	1.78	1	3	4	CN(CC(=O)N1CCC[C@H](C[NH3+])C1)C(=O)c1ccc(Br)s1
178294615	ZINC000237041418	ref	6.24	-13.37	0	364.405	1.885	2	5	2	CCn1c(=O)[nH]c2cc(C(=O)N3CCCc4c(N)cccc43)ccc2c1=O
365624948	ZINC000625042945	ref	5.86	-19.51	0	323.274	2.487	2	3	3	O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1
185090633	ZINC000096081580	low	5.21	-48.28	1	262.309	0.877	1	3	4	C=CCN1C(=O)CO[C@H]2C[N@H+](Cc3ccoc3)C[C@H]21
185090635	ZINC000096081550	ref	1.86	-15.04	0	290.319	-0.036	1	4	3	COc1cccc(CC(=O)N2C[C@H]3NC(=O)CO[C@@H]3C2)c1
342599361	ZINC000616993341	ref	5.93	-41.35	1	256.39	1.648	2	2	5	CC[C@@H](OC)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599362	ZINC000616993341	mid	5.88	-40.87	1	256.39	1.648	2	2	5	CC[C@@H](OC)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365624862	ZINC000617387723	ref	4.51	-13.62	0	280.368	0.93	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C[C@H]2CCC(=O)NC2)CCO1
365624874	ZINC000617388175	ref	5.2	-20.12	0	264.329	0.683	1	4	3	Cc1nnc(CC(=O)N2CCO[C@@](C)(C3CC3)C2)[nH]1
365624883	ZINC000617389463	ref	4.05	-7.96	0	264.329	0.939	0	5	3	CCn1nncc1C(=O)N1CCO[C@@](C)(C2CC2)C1
185090637	ZINC000096081566	ref	3.96	-9.77	0	282.369	0.61	0	6	3	CC(C)CN1C(=O)CO[C@@H]2CN(c3nncs3)C[C@H]21
365624897	ZINC000617390440	ref	3.85	-16.46	0	287.323	0.994	1	5	2	C[C@@]1(C2CC2)CN(C(=O)c2ccnc3n[nH]nc23)CCO1
365638867	ZINC000625087167	ref	5.34	-17.25	0	310.438	2.147	2	3	7	CCCCNC(=O)C1(NC(=O)C2CC(OC)C2)CCCCC1
365638869	ZINC000625084431	ref	8.71	-28.72	1	319.493	2.48	1	2	3	O=C1[C@@H](N2CCC[C@@H]([NH+]3CCCC3)C2)CCN1C1CCCCC1
342599363	ZINC000616993462	ref	7.19	-81.52	2	269.433	1.565	3	1	6	CC[NH+](CC)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365638871	ZINC000625086167	ref	3.64	-12.73	0	315.32	2.189	2	3	4	Cc1cc(C(F)F)oc1C(=O)N1CCCC[C@H]1CNC(N)=O
342599364	ZINC000616993462	mid	7.11	-81.32	2	269.433	1.565	3	1	6	CC[NH+](CC)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365638873	ZINC000625084588	ref	5.7	-8.85	0	322.371	2.431	0	3	5	CCCN(CC(F)(F)F)C(=O)CN1CCO[C@H]2CCCC[C@@H]21
295666620	ZINC000376424644	ref	7.0	-8.28	0	268.426	3.0	1	2	2	O=C(NC[C@@H]1CCCS1)N1CCC12CCCCC2
342599365	ZINC000616993462	high	5.2	-37.91	1	269.433	1.565	2	2	6	CCN(CC)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
185090641	ZINC000096081400	ref	8.36	-42.77	1	285.391	1.963	1	3	4	COCC[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3)C[C@@H]2C1
349533483	ZINC000594965982	high	5.84	-6.82	0	293.455	2.74	2	2	7	O=C(NCCCC1CCCC1)N[C@@H]1CCN(CC2CC2)C1
342599366	ZINC000616993462	high	5.15	-37.52	1	269.433	1.565	2	2	6	CCN(CC)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599367	ZINC000590830233	ref	4.13	-11.67	0	255.293	1.201	1	3	1	CC1(C)OCC[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1
342599368	ZINC000616993530	ref	4.43	-39.17	1	254.374	1.259	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCOC2)C1
398247056	ZINC000649444480	ref	8.46	-7.5	0	200.281	3.485	0	1	1	C=C(C)c1ccc2c(c1)C(=O)C(C)(C)C2
178294603	ZINC000305734597	ref	5.99	-37.16	1	245.322	2.616	2	2	2	Cc1cc2cc(C[N@@H+]3CC[C@H](O)C3)oc2cc1C
178294606	ZINC000305734597	mid	6.07	-37.11	1	245.322	2.616	2	2	2	Cc1cc2cc(C[N@H+]3CC[C@H](O)C3)oc2cc1C
398247060	ZINC000381281638	ref	2.79	-49.83	1	228.336	0.916	2	2	7	CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCC(=O)N1)OC
178294609	ZINC000305734597	high	3.59	-7.53	0	245.322	2.616	1	3	2	Cc1cc2cc(CN3CC[C@H](O)C3)oc2cc1C
398247064	ZINC000649444396	ref	5.28	-6.11	0	214.211	3.33	0	2	4	C=C(C)c1ccc(OC(F)F)cc1OC
398247067	ZINC000649444486	ref	2.89	-8.57	0	217.154	1.522	2	3	1	Cc1nnc(-c2cc(C(F)(F)F)[nH]n2)[nH]1
365624875	ZINC000576563481	ref	7.78	-13.56	0	220.276	1.714	2	3	2	O=C(Nc1nc[nH]n1)[C@H]1CC12CCCCC2
365624887	ZINC000576560380	ref	7.7	-8.87	0	241.375	3.053	1	2	8	CCO[C@H](CC)C(=O)N[C@@H](C)CCC=C(C)C
365624895	ZINC000576558196	ref	5.32	-7.63	0	203.245	2.199	0	4	2	C[C@H]1C[C@@H]1c1noc(-c2cccn2C)n1
365624903	ZINC000576558501	ref	4.44	-11.03	0	238.291	1.31	1	4	2	Cc1noc(NC(=O)N2CC[C@H](C(C)C)C2)n1
282120781	ZINC000533447635	high	3.01	-8.35	0	254.374	1.546	1	3	4	CN(CC(=O)NC1CCCCC1)C1CCOCC1
365624910	ZINC000576556014	ref	4.74	-6.76	0	236.315	3.299	0	4	4	CC[C@@](C)(OC)c1noc(C=C2CCCC2)n1
365624918	ZINC000379911180	ref	1.85	-50.36	1	214.265	-0.064	2	3	4	COC(=O)C[C@H](C)NC(=O)C1([NH3+])CCC1
365624927	ZINC000379911180	high	1.65	-13.07	0	214.265	-0.064	2	4	4	COC(=O)C[C@H](C)NC(=O)C1(N)CCC1
365624934	ZINC000576562825	ref	6.32	-14.42	0	247.342	2.311	2	2	4	N#CC[C@@H]1CC[C@H](NC(=O)NC2(C3CC3)CC2)C1
365624945	ZINC000576561224	ref	3.24	-9.1	0	223.28	1.127	2	4	4	CCC1(CNC(=O)Nc2cn(C)nn2)CC1
365624955	ZINC000576562239	ref	6.76	-14.5	0	247.342	1.992	2	2	3	CC(C)(C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]cn1
349533484	ZINC000594966073	ref	4.11	-15.77	0	299.411	2.614	1	2	5	COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1
365624963	ZINC000576562239	mid	6.19	-10.5	0	247.342	1.992	2	2	3	CC(C)(C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1cnc[nH]1
365624967	ZINC000576562239	low	6.66	-33.42	1	247.342	1.992	2	1	3	CC(C)(C(=O)N[C@@H]1CCC[C@@H]2C[C@@H]21)c1c[nH]c[nH+]1
365624977	ZINC000576562970	ref	3.71	-10.13	0	242.286	1.738	1	6	4	CC(C)n1ccc(CNc2cnc(C#N)cn2)n1
365624984	ZINC000576563366	ref	4.34	-38.61	1	231.295	2.464	2	2	4	C[C@@H]([NH2+][C@@H]1C[C@H]1CO)c1cc2ccccc2o1
365624994	ZINC000576563366	high	3.24	-8.14	0	231.295	2.464	2	3	4	C[C@@H](N[C@@H]1C[C@H]1CO)c1cc2ccccc2o1
398247070	ZINC000649444486	mid	2.49	-5.7	0	217.154	1.522	2	3	1	Cc1n[nH]c(-c2cc(C(F)(F)F)[nH]n2)n1
365624882	ZINC000623053948	high	-1.47	-84.49	0	316.361	1.353	3	3	3	[NH3+]C1(CNC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CCCCC1
343994553	ZINC000599272420	ref	4.17	-47.31	1	296.411	1.557	2	4	4	C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
365624894	ZINC000623055024	ref	7.31	-48.79	1	319.796	1.569	1	4	2	C[C@@H]1C[NH2+]CCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365624905	ZINC000623055024	mid	5.98	-5.63	0	319.796	1.569	1	5	2	C[C@@H]1CNCCN1C(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365624915	ZINC000623055093	ref	2.92	-56.35	1	323.418	1.495	3	3	3	CS(=O)(=O)c1ccc(NC(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
398247058	ZINC000650868689	high	4.59	-42.94	1	284.448	1.358	3	2	10	CC(C)C[N@H+](C)CCCNC(=O)NCCN(C)C1CC1
342084181	ZINC000625344761	mid	5.71	-44.12	1	284.4	1.125	1	3	6	CC[C@@H]1C(=O)N(CC)CC[N@@H+]1CCOC1CCOCC1
365624930	ZINC000623054116	ref	3.13	-48.5	1	310.329	1.575	2	4	3	O=C(N[C@@H]1CC[NH2+]C1)c1nnc(-c2c(F)cccc2F)s1
342084182	ZINC000625346689	ref	3.21	-9.04	0	293.339	1.332	0	4	2	C[C@@H]1CN(S(=O)(=O)c2ccnn2C)C[C@@H](C)C1(F)F
365624939	ZINC000623053797	ref	2.86	-60.05	1	301.35	1.939	2	4	3	[NH3+]CC1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)CC1
197598858	ZINC000290113375	ref	3.74	-13.37	0	267.325	1.681	0	4	5	COCC1(C(=O)N(C)Cc2ccco2)CCOCC1
343994557	ZINC000599272420	mid	4.21	-48.67	1	296.411	1.557	2	4	4	C[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
398247059	ZINC000650868689	high	4.57	-42.86	1	284.448	1.358	3	2	10	CC(C)C[N@@H+](C)CCCNC(=O)NCCN(C)C1CC1
398247063	ZINC000650866566	ref	4.22	-9.32	0	254.374	1.842	2	2	3	CC[C@H]1C[C@@H](C(=O)N[C@H](C)C(C)(C)C)CC(=O)N1
398249492	ZINC000649443274	ref	7.14	-41.07	1	224.307	2.92	1	1	1	Cc1cc(C2=CC[NH2+]CC2)c2ncccc2c1
342084183	ZINC000608904095	ref	5.67	-17.4	0	279.384	1.88	2	3	7	CCC[C@@H](C#N)NC(=O)C[C@H](C)NC(=O)C1CCCC1
342084184	ZINC000625346810	ref	6.87	-14.65	0	287.367	1.743	1	5	2	Cc1cn2c(n1)C[C@@H](C(=O)Nc1c(C)c(C)nn1C)CC2
342084185	ZINC000625346810	low	7.3	-40.96	1	287.367	1.743	1	4	2	Cc1cn2c([nH+]1)C[C@@H](C(=O)Nc1c(C)c(C)nn1C)CC2
342084186	ZINC000608905320	ref	6.93	-54.15	1	278.312	1.233	2	3	3	O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H]([NH+]2CCCC2)C1
342084187	ZINC000608905320	high	4.54	-15.41	0	278.312	1.233	1	4	3	O=C(c1cc([N+](=O)[O-])c[nH]1)N1CC[C@H](N2CCCC2)C1
342084188	ZINC000625346704	ref	4.97	-13.04	0	287.285	1.763	0	3	2	C[C@@H]1C(=O)N(C)CCN1Cc1cccnc1C(F)(F)F
342084189	ZINC000608905598	ref	8.1	-45.26	1	292.339	1.244	1	4	3	Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1
178294613	ZINC000286808541	ref	3.48	-13.13	0	246.31	1.863	3	2	3	Cc1cc2cc(CNC(=O)C(C)(C)O)ccc2[nH]1
365624891	ZINC000641591664	ref	3.71	-11.33	0	283.397	1.361	1	3	7	CCCN(C)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
185090643	ZINC000096081400	mid	8.55	-43.88	1	285.391	1.963	1	3	4	COCC[N@H+]1CC[C@@H]2CN(c3ccc(C#N)cc3)C[C@@H]2C1
178294619	ZINC000035877081	ref	8.97	-71.3	-1	243.262	1.954	0	4	1	Cc1cc2c3c(c1)c(=O)c(C(=O)[O-])cn3CCC2
178294625	ZINC000035877081	low	6.94	-16.9	0	243.262	1.954	1	3	1	Cc1cc2c3c(c1)c(=O)c(C(=O)O)cn3CCC2
365624902	ZINC000641591600	ref	5.39	-5.98	0	288.395	1.653	0	5	3	C[C@@H]1C[C@@H](N2CCOCC2)CN1c1cc(C2CC2)ncn1
365624908	ZINC000641591600	mid	7.59	-42.84	1	288.395	1.653	1	4	3	C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C2CC2)ncn1
349533485	ZINC000594966073	high	4.11	-15.77	0	299.411	2.614	1	3	5	COc1ccc(F)c(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c1
349533486	ZINC000594966285	ref	8.16	-65.68	1	269.323	2.733	1	2	5	Cc1ccncc1CC[NH2+]Cc1ccc(C#N)c(F)c1
190492435	ZINC000269414385	ref	8.32	-16.85	0	274.324	2.32	1	4	2	Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2nc[nH]n2)o1
349533487	ZINC000594965492	ref	8.04	-46.37	1	291.46	2.955	1	1	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cccc3c2CCC3)C1
365624919	ZINC000641591695	ref	1.97	-7.54	0	274.411	1.463	0	4	2	CN1CCN(S(=O)(=O)c2cccs2)CC1(C)C
178294628	ZINC000354888339	ref	2.59	-19.0	0	241.254	1.847	3	3	2	Cc1cc2c[nH]nc2cc1NC(=O)c1cn[nH]c1
398247061	ZINC000097159659	ref	3.91	-9.73	0	224.304	0.914	1	2	3	C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC1
365624924	ZINC000641591695	low	4.26	-41.1	1	274.411	1.463	1	3	2	C[N@@H+]1CCN(S(=O)(=O)c2cccs2)CC1(C)C
365624929	ZINC000641591695	low	4.18	-41.41	1	274.411	1.463	1	3	2	C[N@H+]1CCN(S(=O)(=O)c2cccs2)CC1(C)C
343994555	ZINC000139409594	low	4.39	-48.92	1	170.256	0.953	1	1	3	CCC(CC)N1C(=O)C[NH2+][C@@H]1C
295666621	ZINC000412988332	ref	9.46	-17.83	0	314.41	2.872	0	5	7	O=C(CCc1ccccc1)CSc1nc(=O)ccn1C1CC1
185090651	ZINC000096080901	ref	5.57	-49.94	1	277.368	0.941	2	2	5	COCCC(=O)N1C[C@H]2C[N@H+](Cc3ccc[nH]3)C[C@H]2C1
178294645	ZINC000000403324	ref	5.72	-4.49	0	210.074	3.239	1	0	0	Cc1cc2cc(Br)ccc2[nH]1
185090653	ZINC000096080901	mid	5.6	-49.51	1	277.368	0.941	2	2	5	COCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccc[nH]3)C[C@H]2C1
178294652	ZINC000353145687	ref	2.11	-9.16	0	241.294	2.754	2	3	4	Cc1cc2cc(CNCc3cocn3)ccc2[nH]1
343994558	ZINC000139386468	ref	2.8	-2.01	0	128.215	1.97	1	1	2	C/C(=C\[C@H](C)O)C(C)C
398247065	ZINC000313438658	ref	6.92	-14.02	0	214.268	2.491	1	2	4	N#CCc1cccc(NC(=O)CC2CC2)c1
365624896	ZINC000354686400	ref	6.73	-37.1	1	258.406	1.584	2	2	9	CCCN(CC[NH+](CC)CC)C(=O)[C@@H](O)C(C)C
365624912	ZINC000354684611	ref	7.28	-15.53	0	264.306	1.35	0	6	4	COC(=O)CCSc1cc(=O)n2ccccc2n1
343994559	ZINC000079928005	mid	4.43	-8.44	0	292.408	2.216	1	6	6	c1nc(NCCCCN2CCOCC2)c2sccc2n1
398247072	ZINC000335865555	ref	5.95	-9.94	0	231.295	1.939	0	2	1	O=C(c1ccccc1)N1CCOCC2(CC2)C1
365624923	ZINC000354685790	ref	4.65	-7.69	0	277.368	1.945	2	3	6	CCN(C[C@@H](C)O)C(=O)N[C@@H](c1cccnc1)C1CC1
398247077	ZINC000335877079	ref	6.29	-9.54	0	236.315	2.246	0	3	2	N#Cc1c(F)cccc1CN1CCSCC1
398247081	ZINC000335877079	low	8.28	-43.56	1	236.315	2.246	1	2	2	N#Cc1c(F)cccc1C[NH+]1CCSCC1
365624933	ZINC000354685276	ref	4.33	-8.65	0	284.278	1.826	2	3	6	CCOC(=O)C[C@H](C)CNC(=O)N[C@H](C)C(F)(F)F
365624943	ZINC000354686019	ref	5.76	-12.23	0	275.308	1.175	1	5	4	CCOC(=O)CNC(=O)c1ccc2nc(C)n(C)c2c1
365624951	ZINC000354686019	low	6.2	-34.56	1	275.308	1.175	1	4	4	CCOC(=O)CNC(=O)c1ccc2[nH+]c(C)n(C)c2c1
365624956	ZINC000354684414	ref	5.06	-41.17	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1
342084190	ZINC000608905598	high	5.74	-9.46	0	292.339	1.244	0	5	3	Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](N2CCCC2)C1
365624965	ZINC000354684414	mid	5.47	-40.65	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1
168365720	ZINC000083273803	ref	4.0	-52.1	1	180.255	0.504	1	3	2	C[C@@H]([NH3+])Cc1nnc2n1CCCC2
342084191	ZINC000625346601	ref	3.97	-11.57	0	299.383	1.822	0	3	5	COC[C@H](C)CS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084192	ZINC000608903759	ref	4.96	-20.93	0	277.368	1.634	2	3	5	C[C@@H](CC(=O)NC1(C#N)CCC1)NC(=O)C1CCCC1
365624970	ZINC000354684414	high	3.15	-8.67	0	269.389	1.289	1	3	2	CO[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C)[C@H](C)C2)C1
365624976	ZINC000354685084	ref	1.91	-11.83	0	258.362	1.215	2	3	6	C[C@H](CO)CCCNC(=O)N(C)[C@H]1CCCOC1
349535920	ZINC000594970124	mid	2.57	-12.04	0	292.857	2.576	1	4	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2ncc(Cl)s2)C1
365624983	ZINC000354685184	ref	4.6	-8.89	0	255.358	1.734	1	3	7	C[C@H]1C[C@@H]1CC(=O)NCCCOC1CCOCC1
365624995	ZINC000354686316	ref	3.89	-45.13	1	295.427	1.33	3	2	5	CC1(C)CCCC[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365625005	ZINC000354685479	ref	2.43	-13.49	0	295.368	1.08	0	7	6	CCN(Cc1cn(C)nn1)C(=O)c1cnc(COC)s1
398247086	ZINC000097159584	ref	3.27	-48.48	1	222.292	0.43	2	2	4	Cc1n[nH]cc1C[NH2+]CC(=O)N1CCCC1
197598859	ZINC000162880609	ref	5.29	-10.48	0	313.426	2.694	1	4	4	O=C1NCCN(Cc2csc(C3CC3)n2)[C@@H]1c1ccccc1
342599369	ZINC000616993530	mid	4.49	-39.73	1	254.374	1.259	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCOC2)C1
197598864	ZINC000162887031	ref	3.71	-10.64	0	318.333	1.992	1	6	3	COc1ncncc1NC(=O)N1CCOC[C@@H]1c1ccc(C)o1
398247066	ZINC000650868615	ref	5.9	-38.41	1	295.427	1.585	3	2	7	C[N@H+](CCNC(=O)N[C@H](C1CCOCC1)C1CC1)C1CC1
365624899	ZINC000122148452	ref	9.09	-78.76	2	254.418	2.243	2	1	9	C=CC[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1
365624911	ZINC000122148452	mid	9.11	-79.42	2	254.418	2.243	2	1	9	C=CC[NH+]1CCC(CCC[N@H+](C)CCOC)CC1
365624920	ZINC000122044371	ref	6.59	-18.03	0	286.379	2.036	0	4	4	C/C=C/C=C/C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1
342599370	ZINC000590830103	ref	5.22	-8.47	0	296.289	1.968	2	3	4	CC[C@H](NC(=O)N[C@H]1CCC[C@H]1C(=O)OC)C(F)(F)F
365624935	ZINC000122137247	ref	3.46	-9.47	0	285.347	2.136	2	4	4	Cc1ccc(CNc2ccc(N3CCNC(=O)C3)cc2)o1
398247069	ZINC000650868615	mid	5.89	-38.13	1	295.427	1.585	3	2	7	C[N@@H+](CCNC(=O)N[C@H](C1CCOCC1)C1CC1)C1CC1
342599371	ZINC000590830704	ref	3.16	-18.32	0	295.339	1.078	3	5	6	CC[C@@H](NC(=O)Nc1cccc(CC(=O)OC)n1)[C@@H](C)O
342599372	ZINC000616993322	ref	7.19	-38.57	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
214190304	ZINC000337632832	high	8.48	-7.2	0	288.435	3.123	0	2	5	CCN(CC)CC(=O)N1CC[C@@H](c2ccccc2)C[C@H]1C
342599373	ZINC000616993322	mid	7.18	-39.22	1	268.401	1.648	2	2	5	CCO[C@@H]1C[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599374	ZINC000590830266	ref	4.89	-16.35	0	289.335	1.678	1	5	7	CCc1nc(CCNC(=O)COc2ccccc2C)no1
365624947	ZINC000121996223	ref	6.11	-17.95	0	276.384	2.094	0	4	5	CCCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1
282120782	ZINC000330259172	mid	4.7	-16.28	0	289.383	1.485	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)[C@H]1CCCN1C1CC1)CC2
282120784	ZINC000171103550	ref	6.48	-12.93	0	341.415	1.581	2	5	2	Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)c(C)c1
282120792	ZINC000171103525	ref	5.18	-14.2	0	331.351	1.104	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1C)CC2
342599375	ZINC000616993111	ref	4.41	-40.13	1	283.416	1.139	3	2	6	CCCC(=O)NCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599376	ZINC000616993111	mid	4.35	-39.9	1	283.416	1.139	3	2	6	CCCC(=O)NCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600642	ZINC000616999723	mid	5.27	-43.03	1	286.416	1.276	2	3	8	COCCCOCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365624937	ZINC000641592070	ref	5.9	-11.66	0	275.381	1.462	1	6	3	C[C@H]1CSC[C@@H]1Nc1ccc(-c2ccnn2C)nn1
365624949	ZINC000641591575	ref	3.38	-12.24	0	252.339	1.267	1	3	5	O=S(=O)(NC[C@@H]1C[C@H]1c1cccnc1)C1CC1
365624958	ZINC000641591719	ref	6.13	-43.44	1	294.42	1.793	1	2	2	C[NH+]1CCC2(CCN(S(=O)(=O)c3ccccc3)C2)CC1
365624964	ZINC000641591719	high	3.76	-8.97	0	294.42	1.793	0	3	2	CN1CCC2(CC1)CCN(S(=O)(=O)c1ccccc1)C2
178294617	ZINC000237044536	ref	2.18	-47.02	1	359.264	1.678	3	3	8	CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H](O)COc1ccccc1Br
365624969	ZINC000641591601	ref	4.1	-17.01	0	260.297	1.344	1	5	3	CO[C@@H]1C[C@H](N(C)c2ccc3nc[nH]c(=O)c3n2)C1
178294620	ZINC000237044536	high	1.91	-8.87	0	359.264	1.678	3	4	8	CC[C@H](C)[C@H](N)C(=O)NC[C@H](O)COc1ccccc1Br
185090655	ZINC000096080901	high	3.11	-10.08	0	277.368	0.941	1	3	5	COCCC(=O)N1C[C@@H]2CN(Cc3ccc[nH]3)C[C@@H]2C1
365624982	ZINC000641591833	ref	2.52	-19.84	0	293.273	1.707	2	3	2	O=C(c1ccc2[nH]c(C(F)F)nc2c1)N1C[C@H]2C[C@@]2(O)C1
365624988	ZINC000641592112	ref	4.46	-16.3	0	262.338	1.316	2	5	2	C[C@H]1CSC[C@@H]1Nc1ccc2nc[nH]c(=O)c2n1
365624997	ZINC000479744317	ref	0.56	-9.78	0	298.427	1.92	4	3	4	C[C@@](O)(CNC(=O)N[C@@H]1CC[C@@H](O)CC1)C1CCCCC1
365625007	ZINC000641591687	ref	4.23	-34.27	1	261.369	1.637	2	3	3	C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(CO)ccn1
365625015	ZINC000641592151	ref	4.11	-13.2	0	268.382	1.905	1	3	7	CCCCS(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365625027	ZINC000641591518	ref	4.76	-12.61	0	268.32	1.887	1	4	2	Cc1cc2c(cc1C)N(c1nccnc1C(N)=O)CC2
365625032	ZINC000641591602	ref	3.33	-13.1	0	254.355	1.515	1	3	6	CCCS(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365625043	ZINC000641592066	ref	6.23	-11.51	0	275.381	1.462	1	6	3	C[C@H]1CSC[C@H]1Nc1ccc(-c2ccnn2C)nn1
365625050	ZINC000641591711	ref	2.76	-15.42	0	296.392	1.141	1	4	6	O=S(=O)(C[C@H]1CCOC1)NC[C@@H]1C[C@H]1c1cccnc1
365625059	ZINC000641591977	ref	4.42	-8.82	0	296.436	1.585	0	3	4	CN1CCN(S(=O)(=O)CCc2ccccc2)CC1(C)C
365625064	ZINC000641591977	low	6.76	-42.6	1	296.436	1.585	1	2	4	C[N@@H+]1CCN(S(=O)(=O)CCc2ccccc2)CC1(C)C
365625071	ZINC000641591977	low	6.63	-44.01	1	296.436	1.585	1	2	4	C[N@H+]1CCN(S(=O)(=O)CCc2ccccc2)CC1(C)C
365625080	ZINC000641591538	ref	4.55	-14.35	0	256.305	1.385	1	3	1	Cn1ccc2ccc(C(=O)N3C[C@@H]4C[C@]4(O)C3)cc21
365625089	ZINC000641591938	ref	2.46	-16.68	0	289.257	1.056	1	4	2	C[C@H](C(=O)N1C[C@@H]2C[C@]2(O)C1)n1ccc(C(F)(F)F)n1
370645408	ZINC000356294400	high	4.04	-9.46	0	279.384	2.067	2	3	8	CCCCN(C)C[C@H](C)NC(=O)c1ccc(C(C)=O)[nH]1
365624944	ZINC000274324554	ref	4.45	-8.85	0	275.381	1.816	0	6	3	C[C@@H](c1nccs1)N1CCN(c2ncccn2)CC1
365624950	ZINC000274324554	low	6.54	-34.4	1	275.381	1.816	1	5	3	C[C@@H](c1nccs1)[NH+]1CCN(c2ncccn2)CC1
365624959	ZINC000274325934	ref	6.01	-18.29	0	298.346	1.758	1	4	4	O=C(Cn1cccn1)Nc1ccccc1C(=O)N1CCCC1
370645412	ZINC000356294476	ref	4.61	-8.23	0	269.385	2.123	1	3	5	C[C@@H]1CC[C@H](CCC(=O)NC[C@@H]2CCOC[C@@H]2C)O1
214178286	ZINC000293493725	ref	6.12	-47.92	1	361.486	0.997	2	4	8	CCCNC(=O)CN(C)C(=O)CN1CCC(CO)(c2ccccc2)CC1
214178288	ZINC000293493725	mid	6.12	-47.92	1	361.486	0.997	3	3	8	CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(CO)(c2ccccc2)CC1
214178291	ZINC000293503648	ref	6.44	-50.47	1	370.457	0.613	2	4	1	C[C@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC[N@@H+](C2CCC2)C1
365624973	ZINC000274325479	ref	3.61	-20.79	0	298.412	1.255	2	5	7	CO[C@@H](C)CCNC(=O)NCCc1cn2c(n1)SCC2
178294622	ZINC000237049217	ref	5.84	-39.63	1	372.513	1.225	2	3	7	CN(CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Cc1ccccc1
349533488	ZINC000594964836	ref	4.15	-15.45	0	299.411	2.614	1	2	5	COc1cccc(C[NH2+][C@@H]2CCC[C@H]([S@](C)=O)C2)c1F
349533489	ZINC000594964836	high	4.15	-15.45	0	299.411	2.614	1	3	5	COc1cccc(CN[C@@H]2CCC[C@H]([S@](C)=O)C2)c1F
178294623	ZINC000237049217	mid	8.12	-89.72	2	372.513	1.225	3	2	7	C[N@H+](CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Cc1ccccc1
178294626	ZINC000237049217	mid	8.12	-89.62	2	372.513	1.225	3	2	7	C[N@@H+](CC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)Cc1ccccc1
178294631	ZINC000237043144	ref	6.49	-63.12	-1	359.176	1.19	0	5	4	CN(CC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)c1ccc(Br)o1
342599377	ZINC000616994227	ref	5.76	-40.77	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n(C)n1
178294633	ZINC000237047237	ref	6.29	-55.33	1	351.422	1.249	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1
214190307	ZINC000337634299	ref	-2.44	-15.79	0	290.323	-0.144	5	3	6	NC(=O)N[C@@H](CO)C(=O)NCCc1cccc2[nH]ccc12
178294636	ZINC000237047237	high	5.98	-13.8	0	351.422	1.249	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(C(=O)COc2ccc(F)cc2)CC1
178305640	ZINC000044183878	ref	6.2	-9.3	0	218.3	2.424	1	3	3	Cc1cc2ncn(CC[C@H](C)O)c2cc1C
342599378	ZINC000616994227	mid	5.8	-41.27	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n(C)n1
342599379	ZINC000616994135	ref	3.92	-39.99	1	250.346	1.26	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1
342599380	ZINC000616994135	mid	3.89	-39.44	1	250.346	1.26	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1
365624946	ZINC000623054150	ref	4.58	-42.67	1	309.414	1.525	2	4	7	CCCN(C(=O)Nc1cnn(CCOC)c1)C1CC[NH2+]CC1
214178289	ZINC000278477900	ref	6.12	-10.01	0	316.38	2.681	1	5	4	Cc1nc(F)ccc1CNc1ccc(N2CCOCC2)nc1C
349533490	ZINC000594964746	ref	2.29	-18.72	0	292.404	2.607	1	3	4	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc3cccnc3o2)C1
365624952	ZINC000623054766	ref	2.88	-58.66	1	313.361	1.641	4	3	3	Cc1nc(-c2ccc(NC(=O)N[C@H]3CC[NH2+]C3)cc2)cc(=O)[nH]1
342599381	ZINC000616994226	ref	5.75	-41.41	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n(C)n1
365624960	ZINC000623054766	high	1.79	-86.38	0	313.361	1.641	3	3	3	Cc1nc(-c2ccc(NC(=O)N[C@H]3CC[NH2+]C3)cc2)cc(=O)[n-]1
342599382	ZINC000616994226	mid	5.71	-41.09	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n(C)n1
342599383	ZINC000616994035	ref	6.79	-39.14	1	292.427	1.818	2	3	5	Cc1cnn(CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1
349533491	ZINC000594964746	high	2.29	-18.72	0	292.404	2.607	1	4	4	C[S@](=O)[C@@H]1CCC[C@H](NCc2cc3cccnc3o2)C1
187169771	ZINC000125100344	ref	6.32	-11.37	0	292.335	2.201	1	5	4	CCOc1cc(N2C[C@H]3[C@@H](O)CC[C@H]3C2)ccc1[N+](=O)[O-]
342599384	ZINC000616994035	mid	6.71	-38.68	1	292.427	1.818	2	3	5	Cc1cnn(CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1
349533492	ZINC000594966509	ref	7.06	-40.46	1	281.444	2.596	3	1	4	C[C@@H]1CC[C@@H](NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1
342599385	ZINC000590832657	ref	6.26	-16.29	0	284.356	1.15	1	4	7	CCOC(=O)COCCNC(=O)N1CCC[C@@H]1C1CC1
342599386	ZINC000590831842	ref	3.22	-14.87	0	265.357	1.529	3	3	6	N#CC[C@@H]1CC[C@H](NC(=O)N[C@H](CO)CC2CC2)C1
282120783	ZINC000192703453	mid	7.24	-9.98	0	337.468	2.808	1	7	8	CCC(CC)(CN[C@@H](C)c1nnnn1C1CCCCC1)C(=O)OC
365638874	ZINC000625086906	ref	2.35	-9.39	0	313.41	2.138	2	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](CO)CC1CC1
214178290	ZINC000278477900	mid	6.43	-35.27	1	316.38	2.681	1	4	4	Cc1nc(F)ccc1CNc1ccc(N2CCOCC2)[nH+]c1C
214190311	ZINC000337635732	ref	5.82	-11.04	0	271.311	2.215	1	3	5	O=C(CCn1cccn1)NCC1CCC(F)(F)CC1
349536024	ZINC000258947924	mid	6.03	-8.84	0	232.327	2.52	1	3	7	CC(C)Oc1ccc(CCNCCC#N)cc1
365624953	ZINC000565303663	low	5.5	-64.36	1	297.318	1.671	1	6	6	COC[C@H]([NH2+]Cc1cnc2c(C#N)cnn2c1)c1ccco1
342084193	ZINC000625346679	ref	3.71	-12.61	0	292.383	1.637	0	5	5	CC(C)CN1CCN(Cc2noc(C3CCC3)n2)CC1=O
365624962	ZINC000567751246	ref	4.78	-45.85	1	289.379	1.122	3	2	8	CNC(=O)C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1
342084194	ZINC000608906342	ref	7.85	-44.9	1	278.312	1.233	2	3	3	O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H]([NH+]2CCCC2)C1
178294629	ZINC000082789711	ref	2.87	-51.7	1	261.774	2.241	1	2	5	CC[C@@H](CC[NH3+])S(=O)(=O)c1ccc(Cl)cc1
365624974	ZINC000172836360	ref	5.88	-40.86	1	250.346	1.356	2	2	4	CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cc[nH]n1
342084195	ZINC000608906342	high	5.45	-7.21	0	278.312	1.233	1	4	3	O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@@H](N2CCCC2)C1
295666622	ZINC000412988359	ref	8.04	-14.19	0	317.418	2.585	2	6	8	O=c1cc(CSCCCNc2ncccn2)nc(C2CC2)[nH]1
295666623	ZINC000412988359	high	6.88	-48.91	-1	317.418	2.585	1	6	8	O=c1cc(CSCCCNc2ncccn2)nc(C2CC2)[n-]1
342084196	ZINC000608906787	ref	6.03	-11.42	0	279.34	1.008	0	5	3	CCc1c(C(=O)N2CCC[C@@H](C(=O)OC)C2)cnn1C
365624979	ZINC000172836360	mid	6.08	-38.91	1	250.346	1.356	2	2	4	CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cc[nH]n1
398247068	ZINC000191981833	ref	5.84	-30.25	1	202.301	2.626	0	1	1	Cc1c[nH+]ccc1N1C[C@H]2CCC[C@H]2C1
178294634	ZINC000082790255	ref	2.38	-51.48	1	292.198	1.96	1	2	4	C[C@@H](CC[NH3+])S(=O)(=O)c1ccc(Br)cc1
342084197	ZINC000608903819	ref	4.79	-22.65	0	279.384	1.88	2	3	6	CC[C@@](C)(C#N)NC(=O)C[C@@H](C)NC(=O)C1CCCC1
342084198	ZINC000625346680	ref	3.9	-10.42	0	299.383	1.964	0	3	4	COC(C)(C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
365624985	ZINC000172836360	mid	5.73	-43.64	1	250.346	1.356	2	2	4	CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccn[nH]1
342084199	ZINC000625346709	ref	0.64	-5.84	0	251.33	1.684	1	5	5	OCC[C@H]1CCCN1Cc1noc(C2CCC2)n1
342084200	ZINC000625346709	low	3.09	-32.1	1	251.33	1.684	2	4	5	OCC[C@H]1CCC[N@@H+]1Cc1noc(C2CCC2)n1
342084201	ZINC000625346709	low	2.62	-31.7	1	251.33	1.684	2	4	5	OCC[C@H]1CCC[N@H+]1Cc1noc(C2CCC2)n1
342084202	ZINC000625344841	ref	4.99	-11.13	0	288.269	1.89	0	3	3	CN(C(=O)Cc1cc(C(F)(F)F)ccn1)[C@@H]1CCOC1
342084203	ZINC000608904098	ref	5.67	-19.81	0	279.384	1.88	2	3	7	CCC[C@@H](C#N)NC(=O)C[C@@H](C)NC(=O)C1CCCC1
342084204	ZINC000608902751	ref	4.75	-9.43	0	265.382	1.775	1	4	5	CSCCNC(=O)c1ccc(N2CCCC2)nc1
365624992	ZINC000172836360	mid	5.92	-40.62	1	250.346	1.356	2	2	4	CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccn[nH]1
398247071	ZINC000650868615	high	3.46	-7.87	0	295.427	1.585	2	3	7	CN(CCNC(=O)N[C@H](C1CCOCC1)C1CC1)C1CC1
282120785	ZINC000533451392	ref	2.79	-20.63	0	290.323	1.154	2	5	6	CCc1n[nH]c(=O)c(CNC(=O)Cc2ccon2)c1CC
342599387	ZINC000616994323	ref	4.72	-37.12	1	251.33	1.525	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccon2)C1
365624954	ZINC000625042945	high	4.7	-43.3	-1	323.274	2.487	1	3	3	O=C(N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F)c1cc(=O)[n-]cn1
342599388	ZINC000616994323	mid	4.69	-36.74	1	251.33	1.525	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccon2)C1
168365723	ZINC000036975746	ref	3.52	-51.57	1	166.228	0.114	1	3	2	C[C@@H]([NH3+])Cc1nnc2n1CCC2
365624961	ZINC000625044516	ref	6.76	-8.66	0	318.417	2.159	0	3	2	C[C@H]1CN(C(=O)N2CCOC[C@@H]2Cc2ccccc2)C[C@@H](C)O1
185090658	ZINC000096080579	ref	7.54	-46.01	1	273.38	2.491	2	1	3	CC(C)C[N@@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21
365624971	ZINC000625043983	ref	6.79	-17.84	0	319.449	2.408	2	2	4	O=C(N[C@H]1CCN(C2CCC2)C1=O)N[C@@H]1CCC[C@H](C2CC2)C1
342599389	ZINC000590832054	ref	6.7	-10.27	0	298.383	1.537	1	4	3	C[C@H](NC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1)C1CC1
214178292	ZINC000053358217	ref	9.07	-9.4	0	333.391	3.418	1	3	3	Cc1ccc(C(=O)C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1
185090660	ZINC000096080579	mid	7.79	-46.38	1	273.38	2.491	2	1	3	CC(C)C[N@H+]1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21
365624978	ZINC000625042040	ref	6.42	-17.57	0	307.438	2.408	2	2	6	CCC[C@@H](NC(=O)N[C@@H]1CCN(C2CCC2)C1=O)C1CCC1
365624989	ZINC000625041935	ref	2.75	-8.95	0	316.448	2.043	1	5	5	CC(C)Oc1cncc(S(=O)(=O)N[C@H]2CCCSC2)c1
365624998	ZINC000625044083	ref	7.5	-35.39	1	318.461	2.308	1	3	6	Cc1ccccc1C[NH+]1CCN(CCOC2CCOCC2)CC1
365625004	ZINC000625044083	mid	7.34	-35.56	1	318.461	2.308	1	3	6	Cc1ccccc1CN1CC[NH+](CCOC2CCOCC2)CC1
365625016	ZINC000625044083	mid	5.02	-4.72	0	318.461	2.308	0	4	6	Cc1ccccc1CN1CCN(CCOC2CCOCC2)CC1
365625024	ZINC000625043756	ref	4.89	-10.75	0	319.373	2.32	0	3	5	CCOC[C@@H]1CCN(S(=O)(=O)c2ccc(C)c(F)c2F)C1
342599390	ZINC000616994219	ref	6.82	-39.84	1	290.411	1.889	2	3	4	CCc1ncncc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599391	ZINC000616994219	mid	6.85	-40.27	1	290.411	1.889	2	3	4	CCc1ncncc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599392	ZINC000590832237	ref	6.46	-10.16	0	298.383	1.705	1	4	4	CC/C=C\CNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1
342599393	ZINC000111334956	ref	4.6	-11.93	0	269.366	1.724	0	3	5	COCCCS(=O)(=O)N1CCc2c(C)cccc21
365624957	ZINC000122054809	ref	5.77	-9.73	0	281.34	2.167	1	4	4	C#CCNC(=O)[C@H](C#N)c1nc(-c2ccccc2)cs1
365624966	ZINC000122054809	mid	5.77	-9.74	0	281.34	2.167	1	4	4	C#CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1
365624975	ZINC000122140929	ref	5.12	-7.59	0	260.337	2.077	1	3	3	Cc1cccc(C(=O)N[C@H]2CCO[C@@H](C3CC3)C2)n1
365624991	ZINC000122128956	ref	6.58	-7.1	0	266.385	2.386	1	2	1	C[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)C1
365624999	ZINC000121993441	ref	7.69	-39.48	1	272.392	2.464	1	2	3	Cc1cccc(N2CC[NH+](CC3=CCCOC3)CC2)c1
398247073	ZINC000285176253	ref	2.09	-35.46	1	241.335	0.505	2	4	8	COC[C@H](O)C[NH2+][C@H](Cn1cccn1)C(C)C
342599394	ZINC000590833058	ref	4.3	-15.35	0	282.344	1.641	1	4	3	Cc1ncsc1CCNC(=O)N1CC[C@](F)(C#N)C1
342599395	ZINC000590832238	ref	6.63	-10.93	0	298.383	1.705	1	4	4	CC/C=C/CNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1
342599396	ZINC000616993638	ref	5.71	-38.86	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nn1C
342599397	ZINC000616993638	mid	5.66	-38.65	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)nn1C
342599398	ZINC000616994134	ref	3.85	-39.93	1	250.346	1.26	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1
342599399	ZINC000616994134	mid	3.91	-40.26	1	250.346	1.26	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1
187169772	ZINC000125092474	ref	1.3	-16.81	0	274.284	-0.048	2	6	4	CC(=O)NCC(=O)Nc1cccc(-c2nnnn2C)c1
365625008	ZINC000121993441	mid	5.45	-3.89	0	272.392	2.464	0	3	3	Cc1cccc(N2CCN(CC3=CCCOC3)CC2)c1
365625021	ZINC000122020017	ref	4.91	-4.79	0	265.357	2.127	0	5	5	COc1cc(N2CCC(OCC(C)C)CC2)ncn1
365625036	ZINC000122091606	ref	6.4	-12.69	0	251.289	2.31	1	3	3	Cc1c(C(=O)NCC#N)cccc1-c1ccccn1
365625062	ZINC000122057921	ref	5.06	-29.33	1	254.418	2.405	1	2	6	COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1
365625073	ZINC000122057921	low	7.31	-106.43	2	254.418	2.405	2	1	6	COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1
342599400	ZINC000590840197	ref	4.45	-41.6	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@@H]1COc2ccccc2O1
342599401	ZINC000590840197	mid	5.13	-36.01	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@@H]1COc2ccccc2O1
342599402	ZINC000590840197	high	3.51	-11.73	0	290.363	1.412	1	4	3	C[C@@H]1CC[C@H](C(N)=O)CN1C[C@@H]1COc2ccccc2O1
398247074	ZINC000649444529	ref	8.41	-5.84	0	202.297	3.949	0	1	2	C=C(C)c1ccc(C(=O)C(C)(C)C)cc1
365624972	ZINC000623054066	ref	5.47	-46.34	1	307.785	1.475	2	4	6	C[NH2+]CCCNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
398247076	ZINC000649444476	ref	8.53	-6.06	0	200.281	3.629	0	1	1	C=C(C)c1ccc2c(c1)C(=O)CCCC2
178294647	ZINC000237051711	ref	3.89	-54.36	1	364.465	1.67	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1
178294649	ZINC000237051711	high	3.59	-15.97	0	364.465	1.67	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN([C@@H](C)C(=O)Nc2cccc(F)c2)CC1
398247080	ZINC000649444492	ref	6.24	-4.36	0	201.191	3.442	0	1	1	C=C(C)c1cnc(C(F)(F)F)cc1C
398247082	ZINC000649444381	ref	7.52	-5.52	0	230.229	3.799	0	1	4	C=C(C)c1cccc(COCC(F)(F)F)c1
398247085	ZINC000649444481	ref	7.0	-7.66	0	204.248	2.843	0	2	1	Cc1ccc(-c2cnn(C)c2C)cc1F
398247089	ZINC000649444430	ref	-1.81	-9.14	0	236.271	0.198	3	4	5	C=C(C)c1ccc(C(=O)NC[C@H](O)CO)nc1
365624980	ZINC000623054572	ref	3.56	-48.83	1	324.356	1.95	2	4	5	[NH3+][C@@H](CNC(=O)c1nnc(-c2c(F)cccc2F)s1)C1CC1
365624986	ZINC000623054648	ref	3.24	-43.96	1	316.224	1.777	2	3	2	O=C(N[C@H]1CC12CC[NH2+]CC2)c1ncc(Br)s1
178305645	ZINC000044183878	low	6.68	-32.66	1	218.3	2.424	1	2	3	Cc1cc2[nH+]cn(CC[C@H](C)O)c2cc1C
398247092	ZINC000649444445	ref	2.03	-9.04	0	217.154	1.224	1	4	1	Cn1cc(-c2cc(C(F)(F)F)[nH]n2)nn1
398247094	ZINC000649444445	mid	2.01	-12.26	0	217.154	1.224	1	4	1	Cn1cc(-c2cc(C(F)(F)F)n[nH]2)nn1
365624993	ZINC000623054380	ref	3.81	-53.75	1	301.35	1.952	2	4	3	CN(C(=O)Nc1ccc(-c2ncon2)cc1)C1CC[NH2+]CC1
365625002	ZINC000623054583	ref	7.87	-44.68	1	303.41	1.297	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1
365625011	ZINC000623054669	ref	4.59	-39.09	1	300.362	1.265	2	3	2	C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[nH]1
398247098	ZINC000649444374	ref	6.37	-7.56	0	201.269	2.612	1	1	3	C=C(C)c1ccc(C(=O)NC2CC2)cc1
398247099	ZINC000381280793	ref	5.51	-43.5	1	239.363	1.613	1	3	8	CC[C@@H](C)[C@H](C[NH2+]CCc1cnn(C)c1)OC
300271660	ZINC000330320506	ref	2.23	-14.25	0	257.359	0.287	0	5	2	C[C@H]1CN(Cc2ccn(C)n2)CCS(=O)(=O)C1
365625020	ZINC000623054669	mid	3.52	-46.8	0	300.362	1.265	1	3	2	C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1
398247102	ZINC000381280787	ref	5.52	-43.38	1	239.363	1.613	1	3	8	CC[C@H](C)[C@H](C[NH2+]CCc1cnn(C)c1)OC
398247105	ZINC000649444531	ref	8.29	-7.29	0	244.338	3.574	0	3	5	CCCCOc1ccccc1-c1cnn(C)c1C
365624981	ZINC000274326805	ref	2.81	-17.7	0	267.373	1.702	3	2	6	CNC(=O)CCNC(=O)NCCC1=CCCCCC1
342084205	ZINC000608905603	ref	8.1	-45.22	1	292.339	1.244	1	4	3	Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H]([NH+]2CCCC2)C1
370645410	ZINC000631720836	high	0.86	-9.8	0	264.391	0.377	0	4	5	C[C@H]1CN(S(=O)(=O)CCCN(C)C)[C@@H](C)CO1
365624990	ZINC000274326762	ref	1.48	-5.95	0	294.399	1.157	2	5	6	CCOc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)ncn1
365624996	ZINC000274326762	mid	3.24	-36.12	1	294.399	1.157	2	5	6	CCOc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](CC)C2)ncn1
342084206	ZINC000608905603	high	5.73	-9.62	0	292.339	1.244	0	5	3	Cn1cc([N+](=O)[O-])cc1C(=O)N1CC[C@H](N2CCCC2)C1
342084207	ZINC000608901361	ref	4.41	-9.61	0	254.311	1.695	1	5	5	COC(=O)CCC(=O)Nc1ccc(SC)nc1
342084208	ZINC000625346682	ref	3.88	-11.59	0	299.383	1.964	0	3	4	COC(C)(C)CS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
282120790	ZINC000129182028	ref	8.56	-37.98	1	293.411	2.44	1	4	8	CCC(CC)(C[NH2+][C@@H](c1nccn1C)C1CC1)C(=O)OC
365625001	ZINC000274326762	mid	1.48	-5.95	0	294.399	1.157	1	6	6	CCOc1cc(N2CCN(C[C@@H](C)O)[C@@H](CC)C2)ncn1
370645418	ZINC000631721819	ref	1.35	-8.32	0	254.33	0.714	2	3	4	C[C@@H]1C[C@H](C(=O)NC2(CC(N)=O)CCC2)[C@@H](C)O1
370645425	ZINC000631721923	ref	1.84	-9.39	0	276.402	0.52	0	4	4	C[C@H]1CN(S(=O)(=O)CC2(N(C)C)CC2)[C@H](C)CO1
370645432	ZINC000631721923	mid	3.9	-36.14	1	276.402	0.52	1	3	4	C[C@H]1CN(S(=O)(=O)CC2([NH+](C)C)CC2)[C@H](C)CO1
365625014	ZINC000274324527	ref	-0.87	-10.91	0	296.352	1.174	2	6	4	Cc1nc(C(C)(C)NS(=O)(=O)c2ccccc2N)no1
282120799	ZINC000129182028	high	7.51	-7.81	0	293.411	2.44	1	5	8	CCC(CC)(CN[C@@H](c1nccn1C)C1CC1)C(=O)OC
185090662	ZINC000096080579	high	3.54	-9.4	0	273.38	2.491	1	2	3	CC(C)CN1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21
365625022	ZINC000274324527	high	-0.67	-46.51	-1	296.352	1.174	1	6	4	Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccccc2N)no1
349533493	ZINC000594966509	mid	4.84	-8.06	0	281.444	2.596	3	1	4	C[C@@H]1CC[C@@H](NC(=O)NCC[N@H+]2CCC[C@@H](C)C2)CC1
349533494	ZINC000594966509	high	4.84	-8.06	0	281.444	2.596	2	2	4	C[C@@H]1CC[C@@H](NC(=O)NCCN2CCC[C@@H](C)C2)CC1
365625028	ZINC000274326879	ref	3.81	-13.99	0	299.348	1.039	1	5	6	CCC(=O)CNS(=O)(=O)c1ccc(C(=O)OC)cc1C
342084209	ZINC000625344768	ref	1.47	-32.49	1	284.787	1.544	3	3	4	C[C@H]1CN(Cc2cc(O)ccc2Cl)CC[N@@H+]1CCO
370645436	ZINC000119110521	ref	7.65	-9.68	0	266.344	3.369	1	2	3	Cc1ccc(NC(=O)C2(c3ccccc3)CC2)c(C)n1
370645438	ZINC000631721958	ref	-0.62	-11.88	0	278.355	0.647	1	5	2	C[C@H]1CN(S(=O)(=O)c2c[nH]c(=O)s2)[C@H](C)CO1
365625000	ZINC000172836666	ref	8.03	-41.74	1	292.427	1.983	1	3	4	Cc1nn(C)c(C)c1C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C
197598892	ZINC000290110662	ref	0.63	-10.42	0	298.408	0.985	3	3	7	CC(C)NS(=O)(=O)NC[C@@]1(CO)C[C@H]1c1ccccc1
342084210	ZINC000625344768	mid	1.52	-31.49	1	284.787	1.544	3	3	4	C[C@H]1CN(Cc2cc(O)ccc2Cl)CC[N@H+]1CCO
365625006	ZINC000172836666	mid	7.85	-44.24	1	292.427	1.983	1	3	4	Cc1nn(C)c(C)c1C(=O)N(C)CC[C@H]1CCCC[N@H+]1C
365625018	ZINC000258666274	ref	2.11	-6.6	0	299.168	1.328	2	2	3	CC(C)(CNC(=O)C(N)=O)c1ccc(Br)cc1
185090664	ZINC000096080981	ref	7.64	-45.75	1	293.436	2.337	1	3	5	CCCCC[NH+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@H]2C1
365625030	ZINC000172836491	ref	4.4	-11.52	0	299.754	1.639	1	4	5	C[C@@H](CNC(=O)[C@H]1COCCO1)Oc1cccc(Cl)c1
185090666	ZINC000096081251	ref	3.15	-22.75	0	279.3	-0.733	1	5	4	COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1nc[nH]n1
197598900	ZINC000290113606	ref	6.37	-6.66	0	261.365	2.808	2	2	5	C=C[C@](C)(O)CC(=O)N[C@@H](C)c1ccc(C)c(C)c1
365625038	ZINC000643087798	ref	7.35	-12.45	0	296.415	1.942	0	6	7	COCc1nnc(N(C)[C@@H](C)C(C)C)n1C[C@H]1CCOC1
398249494	ZINC000100407051	ref	6.23	-38.47	-1	220.247	2.574	0	2	2	CC(C)c1cc(=O)n(-c2ccc(F)cc2)[n-]1
185090668	ZINC000096080491	ref	8.0	-44.15	1	250.386	1.975	1	1	3	CC(C)C(=O)N1C[C@@H]2[C@H](C1)C[N@@H+]2CC1CCCC1
185090669	ZINC000096080491	mid	7.97	-43.87	1	250.386	1.975	1	1	3	CC(C)C(=O)N1C[C@@H]2[C@H](C1)C[N@H+]2CC1CCCC1
185090671	ZINC000096080491	high	4.57	-7.27	0	250.386	1.975	0	2	3	CC(C)C(=O)N1C[C@@H]2CN(CC3CCCC3)[C@@H]2C1
342084211	ZINC000625344768	mid	-0.66	-4.99	0	284.787	1.544	2	4	4	C[C@H]1CN(Cc2cc(O)ccc2Cl)CCN1CCO
342084212	ZINC000625344768	high	-0.06	-44.09	-1	284.787	1.544	1	4	4	C[C@H]1CN(Cc2cc([O-])ccc2Cl)CCN1CCO
342084213	ZINC000608903741	ref	6.62	-20.46	0	277.368	1.586	1	3	6	C[C@@H](CC(=O)N(CC#N)C1CC1)NC(=O)C1CCCC1
342084214	ZINC000032751794	ref	7.04	-10.83	0	262.309	1.831	0	5	5	COCCn1c(C)cc(/C=C(\C#N)C(=O)OC)c1C
342084215	ZINC000625344790	ref	4.67	-7.81	0	296.383	1.94	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H](C)C1(F)F
342084216	ZINC000625346688	ref	3.35	-9.23	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2ccnn2C)C[C@H](C)C1(F)F
342084217	ZINC000608903965	ref	5.3	-26.8	0	289.36	1.671	0	4	2	C[S@@](=O)c1ccc(C(=O)N2CCCn3nccc32)cc1
342084218	ZINC000625346575	ref	6.3	-6.9	0	282.428	1.99	0	3	7	CCO[C@@H](CN1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1
342084219	ZINC000625346575	mid	8.77	-42.38	1	282.428	1.99	1	2	7	CCO[C@@H](C[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1
178294651	ZINC000237042340	ref	3.74	-51.47	-1	369.418	1.444	1	6	7	CN(C)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1cccc(F)c1
342599403	ZINC000590840191	ref	1.67	-6.77	0	294.399	1.888	1	5	8	CC(C)CCc1noc(CN(CC(N)=O)C2CCCC2)n1
178294655	ZINC000237042340	mid	6.34	-71.37	0	369.418	1.444	2	5	7	Cn1cc(S(=O)(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1C(=O)[O-]
178294656	ZINC000237054805	ref	3.7	-62.78	1	361.467	1.98	2	3	8	CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCCC[NH3+])c1
178294660	ZINC000237051043	ref	4.55	-52.41	1	367.515	1.51	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
185090674	ZINC000096080623	ref	8.14	-42.65	1	273.38	1.143	1	2	4	C[NH+](C)CCN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1=O
282120791	ZINC000533447507	ref	6.7	-43.77	1	279.365	1.367	1	5	3	C[N@H+](Cc1cc(=O)n2ccsc2n1)C1CCOCC1
349533495	ZINC000594965786	ref	5.91	-9.69	0	292.379	2.969	2	3	7	CC(C)c1ccc(C[NH2+][C@H](C)C2(CO)CC2)cc1[N+](=O)[O-]
178294662	ZINC000237051043	high	4.24	-11.69	0	367.515	1.51	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1
178294665	ZINC000237045149	ref	4.09	-48.46	1	351.878	1.828	2	3	4	CN1CCO[C@@H]([C@@H](NC(=O)C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1
136228661	ZINC000283921666	ref	4.66	-10.97	0	202.213	2.285	0	4	4	C#CCCCc1nc(-c2ccco2)no1
178294668	ZINC000237045149	low	6.1	-95.69	2	351.878	1.828	3	2	4	C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1
342599404	ZINC000616993639	ref	5.72	-38.12	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nn1C
178294671	ZINC000237045149	low	6.52	-95.11	2	351.878	1.828	3	2	4	C[N@H+]1CCO[C@@H]([C@@H](NC(=O)C2CC[NH2+]CC2)c2ccc(Cl)cc2)C1
185090675	ZINC000096080623	high	5.66	-9.36	0	273.38	1.143	0	3	4	CN(C)CCN1C[C@@H]2CN(c3ccccc3)C[C@@H]2C1=O
136228662	ZINC000283935362	ref	8.16	-9.16	0	223.276	1.698	0	5	7	C=CCCCC(=O)OCc1ncnn1CC
185090677	ZINC000096080934	ref	8.9	-42.89	1	296.411	1.52	1	3	7	CCCCC[N@@H+]1C[C@@H]2CN(C(=O)CCC(=O)OC)C[C@@H]2C1
185090679	ZINC000096080934	mid	8.77	-44.07	1	296.411	1.52	1	3	7	CCCCC[N@H+]1C[C@@H]2CN(C(=O)CCC(=O)OC)C[C@@H]2C1
190492449	ZINC000269411471	ref	1.87	-28.65	0	290.385	-0.04	1	4	8	C=CC(=O)NCCC(=O)N(CC)[C@H](C)CS(C)(=O)=O
178305646	ZINC000000441659	ref	4.28	-13.17	0	224.285	1.461	0	4	1	Cc1cc2ncn(S(C)(=O)=O)c2cc1C
136228663	ZINC000283949171	ref	5.88	-8.05	0	249.31	2.736	0	4	6	C=C[C@@](C)(CC)C(=O)OCc1cccnc1OC
349535924	ZINC000594970575	ref	7.51	-47.22	1	256.349	2.73	1	2	4	CC(C)([NH2+]CC1=CCCOC1)c1cccc(C#N)c1
342084220	ZINC000625346575	mid	8.34	-41.4	1	282.428	1.99	1	2	7	CCO[C@@H](C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1
282120796	ZINC000248957265	ref	4.26	-15.7	0	316.467	1.743	1	3	4	CC[C@@H]1CC[C@@H](C(=O)NC2CCN(S(C)(=O)=O)CC2)CC1
365625003	ZINC000379911110	ref	8.15	-44.92	1	206.333	2.967	1	1	3	C[C@@H](C#N)C[N@H+](C)[C@H]1C=CCCCCC1
398247075	ZINC000650868574	ref	6.82	-39.35	1	251.374	1.809	2	1	4	C[N@H+](CCNC(=O)N1CCC12CCCC2)C1CC1
282120804	ZINC000248956635	ref	6.41	-35.16	1	306.406	1.356	2	3	6	COc1ccccc1CN(C)C(=O)C[N@@H+]1CC[C@H](C)[C@@H]1CO
282120807	ZINC000248956635	mid	6.62	-31.1	1	306.406	1.356	2	3	6	COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H](C)[C@@H]1CO
168365368	ZINC000368509337	ref	3.76	-7.79	0	348.83	3.375	0	5	4	Clc1cccc(-c2nc(CN3CCOC[C@@H]3[C@@H]3CCCO3)co2)c1
282120811	ZINC000248956635	high	4.5	-9.84	0	306.406	1.356	1	4	6	COc1ccccc1CN(C)C(=O)CN1CC[C@H](C)[C@@H]1CO
282120817	ZINC000248955469	ref	1.09	-42.68	1	310.394	1.087	4	4	9	COc1ccc(NC(=O)CC[N@H+](C[C@H](C)O)[C@H](C)CO)cc1
187169773	ZINC000125098644	ref	4.31	-6.14	0	270.764	2.4	2	5	7	CNc1c(Cl)ncnc1NCC1(CCOC)CC1
168365369	ZINC000368508875	ref	8.12	-55.34	1	341.48	3.265	2	3	5	Cc1ccc(-c2csc(C[NH2+][C@@H]3CCC(=O)N[C@@H]3C3CC3)n2)cc1
342084221	ZINC000608903031	ref	4.86	-13.1	0	295.335	1.452	1	5	8	COCCC(=O)N[C@H](CC(=O)OC)c1ccc(OC)cc1
342084222	ZINC000608902270	ref	4.67	-16.94	0	272.414	1.551	2	3	7	CSCCNC(=O)C[C@H](C)NC(=O)C1CCCC1
342084223	ZINC000608906809	ref	6.3	-9.08	0	277.324	1.064	0	5	3	CCc1ncncc1C(=O)N1CCC[C@@H](C(=O)OC)C1
342084224	ZINC000625344794	ref	4.05	-8.59	0	282.356	1.55	0	2	2	C[C@@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H](C)C1(F)F
342084225	ZINC000625344755	ref	2.94	-8.85	0	256.318	1.016	0	2	2	C[C@@H]1CN(S(=O)(=O)N(C)C)C[C@@H](C)C1(F)F
342084226	ZINC000625344770	ref	7.57	-16.35	0	286.335	1.187	0	5	4	CN(C(=O)c1cccc(Cn2cncn2)c1)[C@H]1CCOC1
342084227	ZINC000625346600	ref	4.01	-10.24	0	299.383	1.822	0	3	5	COC[C@H](C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084228	ZINC000608906297	ref	8.81	-49.13	1	292.339	1.244	1	4	3	Cn1c(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccc1[N+](=O)[O-]
342084229	ZINC000608906297	high	6.44	-10.23	0	292.339	1.244	0	5	3	Cn1c(C(=O)N2CC[C@H](N3CCCC3)C2)ccc1[N+](=O)[O-]
342084230	ZINC000608903821	ref	4.79	-19.67	0	279.384	1.88	2	3	6	CC[C@@](C)(C#N)NC(=O)C[C@H](C)NC(=O)C1CCCC1
342084231	ZINC000625344795	ref	4.04	-8.61	0	282.356	1.55	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@H](C)C1(F)F
190492451	ZINC000269411770	ref	8.27	-9.46	0	265.353	2.453	0	3	5	C/C=C(\C=C\C(=O)N1CCC[C@@H]1CC(=O)OC)CC
190492452	ZINC000269408883	ref	6.49	-30.18	1	250.342	2.202	1	2	3	Cc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)N(C)C)o1
190492453	ZINC000269408883	mid	7.11	-34.11	1	250.342	2.202	1	2	3	Cc1ccc([C@H]2CCC[N@@H+]2[C@H](C)C(=O)N(C)C)o1
190492454	ZINC000269408883	mid	4.59	-7.25	0	250.342	2.202	0	3	3	Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)N(C)C)o1
178294657	ZINC000353145687	low	3.48	-44.15	1	241.294	2.754	2	2	4	Cc1cc2cc(C[NH2+]Cc3cocn3)ccc2[nH]1
178294664	ZINC000068568362	ref	11.37	-5.1	0	234.342	4.168	0	0	0	Cc1cc2c3c(c1)CCc1cc(C)cc(c1-3)CC2
178294670	ZINC000004130521	ref	2.24	-40.87	1	246.31	1.227	3	2	4	Cc1cc2cc(C[NH2+]CCO)c(=O)[nH]c2cc1C
178294696	ZINC000004130521	high	0.8	-13.73	0	246.31	1.227	3	3	4	Cc1cc2cc(CNCCO)c(=O)[nH]c2cc1C
398247078	ZINC000650868574	mid	6.81	-39.14	1	251.374	1.809	2	1	4	C[N@@H+](CCNC(=O)N1CCC12CCCC2)C1CC1
398247079	ZINC000650868574	high	4.37	-10.68	0	251.374	1.809	1	2	4	CN(CCNC(=O)N1CCC12CCCC2)C1CC1
178294710	ZINC000285405508	ref	5.9	-43.46	1	244.338	2.743	2	1	3	Cc1cc2cc(C[NH2+][C@H]3CCO[C@@H]3C)ccc2[nH]1
342084232	ZINC000625344788	ref	5.04	-6.89	0	296.383	1.94	0	2	2	C[C@@H]1CN(S(=O)(=O)N2CCCCC2)C[C@@H](C)C1(F)F
190597631	ZINC000270094624	ref	6.47	-14.24	0	299.37	2.891	1	3	6	CCN(C)C(=O)c1cccc(OC[C@@H](O)c2ccccc2)c1
365625013	ZINC000379911110	mid	8.41	-44.37	1	206.333	2.967	1	1	3	C[C@@H](C#N)C[N@@H+](C)[C@H]1C=CCCCCC1
178294717	ZINC000013360230	ref	5.64	-26.9	0	214.22	3.156	0	3	0	Cc1cc2cc(=O)cc3oc(C)cc(o1)c23
168365370	ZINC000035012905	ref	8.62	-38.57	1	249.398	4.172	1	1	8	CCC(CC)C[NH2+][C@H](CC)c1ccc(OC)cc1
342084233	ZINC000625346705	ref	2.99	-9.29	0	287.285	1.763	0	3	2	C[C@H]1C(=O)N(C)CCN1Cc1cccnc1C(F)(F)F
168365376	ZINC000130713797	ref	6.44	-52.9	1	248.37	2.778	2	1	5	CCC(CC)C[NH2+][C@H]1CCCc2[nH]c(=O)ccc21
168365380	ZINC000135496557	ref	7.25	-6.0	0	237.303	3.146	1	4	6	CCC(CC)CNc1cc(C)c([N+](=O)[O-])cn1
365625017	ZINC000379911110	mid	6.33	-4.13	0	206.333	2.967	0	2	3	C[C@@H](C#N)CN(C)[C@H]1C=CCCCCC1
168365385	ZINC000019878093	ref	8.6	-36.89	1	205.345	3.773	1	0	6	CCC(CC)C[NH2+][C@H](C)c1ccccc1
342084234	ZINC000608903964	ref	5.3	-20.74	0	289.36	1.671	0	4	2	C[S@](=O)c1ccc(C(=O)N2CCCn3nccc32)cc1
342084235	ZINC000625344760	ref	4.25	-7.97	0	284.4	1.125	0	4	6	CC[C@H]1C(=O)N(CC)CCN1CCOC1CCOCC1
342084236	ZINC000625344760	mid	5.67	-43.81	1	284.4	1.125	1	3	6	CC[C@H]1C(=O)N(CC)CC[N@H+]1CCOC1CCOCC1
342084237	ZINC000625344760	mid	6.0	-43.93	1	284.4	1.125	1	3	6	CC[C@H]1C(=O)N(CC)CC[N@@H+]1CCOC1CCOCC1
365625019	ZINC000354685486	ref	4.03	-49.58	-1	260.297	1.072	2	4	4	Cc1cccc(C)c1C(=O)NCCc1nc(=N)[n-]o1
365625023	ZINC000354685486	low	3.64	-13.3	0	260.297	1.072	2	5	4	Cc1cccc(C)c1C(=O)NCCc1nc(N)no1
365625031	ZINC000354685715	ref	5.89	-41.56	1	276.384	1.782	3	2	6	C[C@H](C[NH+](C)C)NC(=O)N[C@H](c1cccnc1)C1CC1
365625040	ZINC000354685715	high	3.33	-7.57	0	276.384	1.782	2	3	6	C[C@H](CN(C)C)NC(=O)N[C@H](c1cccnc1)C1CC1
365625049	ZINC000354685102	ref	2.94	-10.31	0	294.399	1.579	3	4	8	C[C@H](CO)CCCNC(=O)N[C@H](c1nccn1C)C1CC1
398247083	ZINC000650864939	ref	4.6	-37.36	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC
365625057	ZINC000354685102	low	3.54	-36.47	1	294.399	1.579	3	3	8	C[C@H](CO)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1
365625065	ZINC000354686062	ref	3.8	-9.76	0	252.295	1.522	2	4	4	CCOC(=O)CNC(=O)c1cc2[nH]ccc2s1
365625077	ZINC000354685923	ref	0.76	-8.04	0	256.268	1.645	3	2	6	C[C@H](CO)CCCNC(=O)N[C@@H](C)C(F)(F)F
365625084	ZINC000354685719	ref	6.27	-41.82	1	276.384	1.782	3	2	6	C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1
365625092	ZINC000354685719	high	3.66	-7.42	0	276.384	1.782	2	3	6	C[C@@H](CN(C)C)NC(=O)N[C@@H](c1cccnc1)C1CC1
365625098	ZINC000354686106	ref	6.63	-7.52	0	293.363	1.559	1	4	8	COC[C@@H](Cc1ccccc1)NC(=O)C[C@H](C)C(=O)OC
365625106	ZINC000354686464	ref	2.83	-8.16	0	278.308	1.415	2	5	6	C/C=C\C[C@H](NC(=O)c1cncc(O)c1)C(=O)OCC
365625116	ZINC000354686464	mid	3.59	-43.66	-1	278.308	1.415	1	5	6	C/C=C\C[C@H](NC(=O)c1cncc([O-])c1)C(=O)OCC
365625123	ZINC000354684891	ref	1.41	-8.17	0	298.427	1.155	2	4	4	CC(C)(C(=O)NC[C@@]1(C)CCCC[C@@H]1O)N1CCOCC1
365625128	ZINC000354684891	low	3.1	-40.13	1	298.427	1.155	3	3	4	CC(C)(C(=O)NC[C@@]1(C)CCCC[C@@H]1O)[NH+]1CCOCC1
365625135	ZINC000354685064	ref	4.37	-45.06	1	297.443	1.577	3	2	10	CCCC[C@H](CC)CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365625144	ZINC000354685800	ref	4.94	-10.59	0	277.368	1.945	2	3	6	CCN(C[C@H](C)O)C(=O)N[C@@H](c1cccnc1)C1CC1
365625153	ZINC000354684425	ref	5.48	-40.76	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1
185090682	ZINC000096080580	ref	7.83	-44.43	1	273.38	2.491	2	1	3	CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21
185090683	ZINC000096080580	mid	8.08	-43.63	1	273.38	2.491	2	1	3	CC(C)C[N@H+]1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21
185090685	ZINC000096080580	high	5.16	-9.15	0	273.38	2.491	1	2	3	CC(C)CN1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21
282120794	ZINC000151605404	low	5.83	-39.58	1	319.405	2.061	1	3	7	COCCC1(CNC(=O)N2CC[C@H](Oc3cc[nH+]cc3)C2)CC1
282120800	ZINC000151589371	ref	4.54	-39.4	1	318.421	2.293	1	4	4	CC(C)c1nnc(/C=C/C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)o1
342599405	ZINC000616993639	mid	5.72	-38.57	1	278.4	1.579	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nn1C
342599406	ZINC000616993931	ref	4.62	-40.46	1	267.398	1.993	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cncs2)C1
282120805	ZINC000151597357	ref	4.82	-22.07	0	306.362	2.044	1	4	6	COC[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)C(C)C
342599407	ZINC000616993931	mid	4.58	-39.97	1	267.398	1.993	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cncs2)C1
185090694	ZINC000096081097	ref	7.73	-41.05	1	281.403	2.579	2	1	4	c1ccc(C[NH+]2C[C@H]3CN(Cc4ccc[nH]4)C[C@@H]3C2)cc1
185090698	ZINC000096081097	low	10.15	-107.02	2	281.403	2.579	3	0	4	c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccc[nH]4)C[C@@H]3C2)cc1
185090701	ZINC000096081872	ref	8.38	-40.77	1	259.397	2.496	1	2	3	C[NH+](C)C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21
197598911	ZINC000290111634	ref	5.89	-11.68	0	292.354	1.947	1	3	4	O=C(NC[C@@H]1CCCO1)[C@@H]1CCN(c2ccccc2F)C1
282120813	ZINC000151604259	ref	6.71	-9.88	0	316.405	2.285	1	5	6	COC[C@H](NC(=O)c1ccc(-n2nc(C)cc2C)nc1)C(C)C
323004228	ZINC000566507660	ref	0.7	-41.51	1	241.335	0.145	3	2	5	CC(C)[NH2+]CC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1
185090707	ZINC000096080527	ref	5.49	-42.22	1	265.382	1.555	1	3	3	CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]21
136228664	ZINC000283920836	ref	4.46	-12.86	0	244.294	1.441	1	3	2	CC#CC(=O)N[C@H]1CCCO[C@@H]1c1ccncc1
136228665	ZINC000283932693	ref	5.3	-5.35	0	238.331	1.327	1	2	6	C=CCCCN(C)C(=O)C(=O)NCC1CCC1
214178293	ZINC000278478238	low	2.31	-13.49	0	324.274	2.132	2	4	7	COc1cc(NCCNC(=O)[C@@H](F)C(F)(F)F)cc(OC)c1
185090708	ZINC000096080527	mid	5.74	-42.39	1	265.382	1.555	1	3	3	CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]21
166172981	ZINC000335893614	ref	4.68	-9.03	0	197.278	1.446	0	2	3	C=CCN(C)C(=O)[C@@H]1CCO[C@H](C)C1
342599408	ZINC000590840284	ref	5.34	-15.07	0	297.318	1.735	2	5	3	CCc1noc(NC(=O)N[C@@H]2CCc3cc(C#N)ccc32)n1
342084238	ZINC000608903032	ref	4.73	-13.39	0	295.335	1.452	1	5	8	COCCC(=O)N[C@@H](CC(=O)OC)c1ccc(OC)cc1
190492455	ZINC000269411921	ref	4.57	-14.53	0	282.369	1.396	1	6	4	CC(C)(C)c1nnc(NCCN2C(=O)CCC2=O)s1
349533496	ZINC000594965786	high	5.91	-9.69	0	292.379	2.969	2	4	7	CC(C)c1ccc(CN[C@H](C)C2(CO)CC2)cc1[N+](=O)[O-]
199273205	ZINC000181261199	ref	8.43	-39.44	1	318.461	3.034	2	2	6	CC[C@@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1
349533497	ZINC000594965059	ref	6.06	-57.67	1	282.453	2.738	1	2	3	C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1
342084239	ZINC000608901533	ref	5.14	-57.03	1	273.321	1.463	1	5	5	N#CCSCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1
398247084	ZINC000285174180	ref	4.7	-4.36	0	235.331	2.563	0	4	7	C=C(C)CCc1noc(CN(CC)C2CC2)n1
398247088	ZINC000285174180	low	6.84	-36.28	1	235.331	2.563	1	3	7	C=C(C)CCc1noc(C[N@@H+](CC)C2CC2)n1
398247093	ZINC000285174180	low	6.41	-37.88	1	235.331	2.563	1	3	7	C=C(C)CCc1noc(C[N@H+](CC)C2CC2)n1
398247097	ZINC000191990114	ref	9.96	-30.67	1	213.324	2.913	1	0	1	CC1(C)CCC[N@@H+]1CC#Cc1ccccc1
342084240	ZINC000608901533	mid	4.68	-23.68	0	273.321	1.463	1	6	5	N#CCSCC(=O)Nc1cnn(-c2ccncc2)c1
398247100	ZINC000191990114	mid	9.95	-30.38	1	213.324	2.913	1	0	1	CC1(C)CCC[N@H+]1CC#Cc1ccccc1
398247103	ZINC000191990114	high	7.85	-4.26	0	213.324	2.913	0	1	1	CC1(C)CCCN1CC#Cc1ccccc1
178294674	ZINC000082790062	ref	1.09	-54.93	1	263.384	1.276	1	4	7	CCO[C@H](C[NH3+])CCS(=O)(=O)c1cccs1
178294675	ZINC000082789748	ref	3.05	-50.7	1	261.774	2.243	1	2	6	[NH3+]CCCCCS(=O)(=O)c1ccccc1Cl
190492458	ZINC000269411231	ref	2.45	-17.13	0	295.339	-0.445	2	4	4	CC(C)[C@@H](C(=O)N[C@H]1CCC(=O)NC1=O)N1CCCC1=O
398247107	ZINC000191992065	ref	3.13	-49.66	1	244.335	0.819	2	3	8	COC(=O)CCCCCNC(=O)[C@@H](C)[C@@H](C)[NH3+]
190492459	ZINC000269413344	ref	5.47	-8.64	0	292.311	3.309	1	5	3	FC(F)(F)c1csc(Sc2n[nH]c(C3CC3)n2)n1
342084241	ZINC000625344792	ref	5.03	-6.94	0	296.383	1.94	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCCCC2)C[C@H](C)C1(F)F
398247113	ZINC000285176059	ref	3.78	-9.8	0	218.26	2.529	1	4	4	C=C(C)C[C@@H](C)c1nc(-c2ncc[nH]2)no1
349533498	ZINC000594964749	ref	2.64	-19.14	0	292.404	2.607	1	3	4	C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc3cccnc3o2)C1
349533499	ZINC000594964749	high	2.64	-19.14	0	292.404	2.607	1	4	4	C[S@](=O)[C@@H]1CCC[C@@H](NCc2cc3cccnc3o2)C1
398247120	ZINC000336778977	ref	3.66	-6.58	0	216.284	3.158	1	3	4	CCc1ccc(NCc2cocn2)cc1C
398247126	ZINC000191994861	ref	4.2	-11.9	0	245.25	1.219	0	2	3	C#CCN(C)S(=O)(=O)c1c(F)cccc1F
342599409	ZINC000590831822	ref	7.16	-15.63	0	286.322	1.863	0	3	8	COCCN(CC(F)F)C(=O)CN(C)c1ccccc1
365625025	ZINC000623054064	ref	6.53	-45.89	1	314.389	1.527	2	3	4	CCCN(C(=O)c1nc2ccccc2c(=O)[nH]1)C1CC[NH2+]CC1
342599410	ZINC000616993608	ref	6.27	-40.13	1	256.39	1.65	2	2	6	CCCOCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599411	ZINC000616993608	mid	6.27	-40.74	1	256.39	1.65	2	2	6	CCCOCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599412	ZINC000590832240	ref	6.47	-11.01	0	298.383	1.705	1	4	4	CC/C=C\CNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1
187169774	ZINC000125099516	ref	5.93	-7.74	0	279.767	2.427	1	2	3	O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC[C@H]1CO
365625029	ZINC000623054064	mid	5.47	-68.05	0	314.389	1.527	1	3	4	CCCN(C(=O)c1nc2ccccc2c(=O)[n-]1)C1CC[NH2+]CC1
342599413	ZINC000590832218	ref	4.59	-18.93	0	295.383	1.373	1	4	3	CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1
365625035	ZINC000623054240	ref	5.1	-47.86	1	305.769	1.227	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@@H]1CC[NH2+]C1
192037479	ZINC000273074934	ref	4.0	-47.41	1	278.352	1.19	2	3	7	COc1ccccc1OCCC(=O)NC[C@@H]1CC[NH2+]C1
342599414	ZINC000616993930	ref	4.56	-40.44	1	267.398	1.993	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cncs2)C1
342599415	ZINC000616993930	mid	4.62	-40.81	1	267.398	1.993	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cncs2)C1
342599416	ZINC000590832055	ref	6.7	-11.22	0	298.383	1.537	1	4	3	C[C@H](NC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1)C1CC1
365625041	ZINC000623054456	ref	3.91	-90.04	2	319.453	1.165	4	2	7	C[NH+](C)Cc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1
282120795	ZINC000533447507	mid	6.15	-43.46	1	279.365	1.367	1	5	3	C[N@@H+](Cc1cc(=O)n2ccsc2n1)C1CCOCC1
323004229	ZINC000566507660	high	-0.51	-11.24	0	241.335	0.145	3	3	5	CC(C)NCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1
342599417	ZINC000590840196	ref	4.48	-39.98	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1C[C@H]1COc2ccccc2O1
342599418	ZINC000590840196	mid	4.97	-38.21	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1C[C@H]1COc2ccccc2O1
342599419	ZINC000590840196	high	3.34	-12.32	0	290.363	1.412	1	4	3	C[C@@H]1CC[C@H](C(N)=O)CN1C[C@H]1COc2ccccc2O1
192037480	ZINC000273074157	ref	0.31	-18.23	0	297.34	0.119	2	6	7	CCOc1ccc(S(=O)(=O)NCCc2nnc[nH]2)cn1
342599420	ZINC000616994296	ref	4.45	-39.35	1	286.416	1.276	2	3	8	COCCOCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365625045	ZINC000623054456	high	1.43	-46.62	1	319.453	1.165	3	3	7	CN(C)Cc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1
342599421	ZINC000616994296	mid	4.38	-38.99	1	286.416	1.276	2	3	8	COCCOCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
178294673	ZINC000237050330	ref	4.91	-45.32	1	358.511	1.92	1	4	6	CCc1nc(CN2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cs1
178294693	ZINC000237050330	high	4.6	-9.0	0	358.511	1.92	1	5	6	CCc1nc(CN2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cs1
342599422	ZINC000590840285	ref	5.19	-14.94	0	297.318	1.735	2	5	3	CCc1noc(NC(=O)N[C@H]2CCc3cc(C#N)ccc32)n1
178294694	ZINC000237049950	ref	5.74	-58.71	1	357.432	1.614	1	5	7	CC[NH2+]CC1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)CC1
178294697	ZINC000237053273	ref	8.6	-49.18	-1	354.406	1.678	1	4	6	CN1C[C@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O
178294700	ZINC000237051575	ref	6.49	-60.42	-1	373.203	1.628	1	5	5	CN(CC(=O)NC1(C(=O)[O-])CCCC1)C(=O)c1ccc(Br)o1
214178294	ZINC000278478238	low	2.31	-13.49	0	324.274	2.132	2	4	7	COc1cc(NCCNC(=O)C(F)C(F)(F)F)cc(OC)c1
178294704	ZINC000237052439	ref	8.56	-59.49	-1	354.406	1.678	1	4	6	CN1C[C@@H](C(=O)NC[C@@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O
349533500	ZINC000594964837	ref	4.75	-13.47	0	299.411	2.614	1	2	5	COc1cccc(C[NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1F
349533501	ZINC000594964837	high	4.75	-13.47	0	299.411	2.614	1	3	5	COc1cccc(CN[C@@H]2CCC[C@@H]([S@@](C)=O)C2)c1F
168365371	ZINC000368508875	mid	7.21	-9.6	0	341.48	3.265	2	4	5	Cc1ccc(-c2csc(CN[C@@H]3CCC(=O)N[C@@H]3C3CC3)n2)cc1
361822988	ZINC000351630098	ref	7.51	-43.16	1	279.388	1.257	2	4	5	C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1nncn1C
361822996	ZINC000351630098	mid	7.7	-40.94	1	279.388	1.257	2	4	5	C[C@H](NC(=O)CC[C@@H]1CCCC[N@H+]1C)c1nncn1C
361823004	ZINC000351630138	ref	0.85	-8.27	0	256.346	1.182	3	3	6	C/C=C\C[C@H](CO)NC(=O)NC[C@]1(C)CCCO1
361823014	ZINC000351630151	ref	0.56	-9.57	0	256.346	1.039	3	3	7	C/C=C\C[C@H](CO)NC(=O)NCC[C@@H]1CCOC1
361823024	ZINC000351631572	ref	4.95	-12.61	0	280.416	1.165	0	4	7	CCN(CC)C(=O)CN1CCN([C@@H](C)CCC#N)CC1
361823030	ZINC000351631572	mid	6.84	-51.08	1	280.416	1.165	1	3	7	CCN(CC)C(=O)CN1CC[NH+]([C@@H](C)CCC#N)CC1
361823033	ZINC000351631572	low	7.1	-45.12	1	280.416	1.165	1	3	7	CCN(CC)C(=O)C[NH+]1CCN([C@@H](C)CCC#N)CC1
361823042	ZINC000351631381	ref	4.28	-8.95	0	298.427	1.419	1	4	6	CCN1CCO[C@H](C(=O)NCCO[C@H]2CCCC[C@H]2C)C1
361823052	ZINC000351631381	mid	6.68	-44.3	1	298.427	1.419	2	3	6	CC[N@@H+]1CCO[C@H](C(=O)NCCO[C@H]2CCCC[C@H]2C)C1
342084242	ZINC000608902145	ref	5.6	-17.38	0	268.386	1.159	1	5	4	Cc1nc2n(n1)C[C@@H](NC(=O)CSC(C)C)CC2
365625026	ZINC000576561058	ref	3.22	-10.13	0	238.291	0.815	1	5	3	CC(C)[C@@H]1OCC[C@H]1C(=O)Nc1cn(C)nn1
342084243	ZINC000625346629	ref	3.81	-10.93	0	283.416	1.091	1	3	4	CCN1CCN(CC(=O)NCC(C)(C)C)C(C)(C)C1=O
349533502	ZINC000594965621	ref	6.33	-50.14	1	257.443	2.846	1	1	4	C[S@](=O)[C@H]1CCC[C@@H]([NH2+]CC2CCCCC2)C1
365625033	ZINC000576552362	ref	1.58	-9.67	0	249.314	1.179	3	3	5	C=CC[C@@H](CO)NC(=O)Nc1cc(C)ncc1C
136228666	ZINC000283932154	ref	8.28	-7.64	0	241.334	3.057	1	1	4	CC#CC(=O)N[C@@H](CC1CCC1)c1ccccc1
365625039	ZINC000576552362	low	2.01	-31.51	1	249.314	1.179	3	2	5	C=CC[C@@H](CO)NC(=O)Nc1cc(C)[nH+]cc1C
365625047	ZINC000576555889	ref	5.23	-7.78	0	233.377	2.093	0	2	4	C[C@@H](C1CC1)N(C)S(=O)(=O)CC(C)(C)C
365625056	ZINC000343762065	ref	-1.46	-9.99	0	234.321	-0.649	0	4	2	CCS(=O)(=O)N1C[C@@H]2OCCN(C)[C@H]2C1
342084244	ZINC000625344759	ref	2.86	-8.79	0	256.318	1.016	0	2	2	C[C@H]1CN(S(=O)(=O)N(C)C)C[C@H](C)C1(F)F
365625067	ZINC000343767623	ref	5.13	-33.01	1	213.277	0.561	2	3	6	C=CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1CC1
342084245	ZINC000625346574	ref	7.03	-7.56	0	282.428	1.99	0	3	7	CCO[C@H](CN1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1
178294681	ZINC000082790215	ref	1.72	-45.13	1	278.171	1.57	1	2	3	C[C@H](C[NH3+])S(=O)(=O)c1ccccc1Br
398247087	ZINC000650864939	mid	4.06	-37.89	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@H](CO)NC(=O)NC[C@H]1CCCC[N@H+]1CC
398247090	ZINC000650864939	high	2.37	-5.9	0	299.459	1.957	3	3	8	CCC[C@H](C)[C@H](CO)NC(=O)NC[C@H]1CCCCN1CC
365625072	ZINC000343767623	mid	4.96	-33.52	1	213.277	0.561	2	3	6	C=CC[N@H+](C[C@@](C)(O)C(=O)OC)C1CC1
178294682	ZINC000082790215	high	1.35	-9.25	0	278.171	1.57	1	3	3	C[C@H](CN)S(=O)(=O)c1ccccc1Br
342084246	ZINC000625346574	mid	8.15	-40.83	1	282.428	1.99	1	2	7	CCO[C@H](C[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1
187169775	ZINC000125110409	ref	7.61	-55.03	1	260.234	3.129	1	1	5	N#Cc1ccc(C[NH2+]CCCC(F)(F)F)c(F)c1
365625081	ZINC000343767623	high	3.42	-4.06	0	213.277	0.561	1	4	6	C=CCN(C[C@@](C)(O)C(=O)OC)C1CC1
365625090	ZINC000576563154	ref	2.58	-37.64	1	214.309	0.311	2	2	5	CN1CCC[C@H]([N@H+](C)CCCCO)C1=O
342084247	ZINC000625346574	mid	8.5	-41.87	1	282.428	1.99	1	2	7	CCO[C@H](C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1
365625094	ZINC000576563154	mid	2.57	-37.08	1	214.309	0.311	2	2	5	CN1CCC[C@H]([N@@H+](C)CCCCO)C1=O
365625099	ZINC000576563154	high	0.5	-9.86	0	214.309	0.311	1	3	5	CN1CCC[C@H](N(C)CCCCO)C1=O
365625107	ZINC000576562470	ref	5.65	-7.42	0	222.279	2.329	1	1	5	CCN(CC(C)C)C(=O)NCC(C)(F)F
197598931	ZINC000290112411	ref	7.88	-14.85	0	281.315	3.296	1	4	3	Cn1ccc2ccc(NC(=O)c3conc3C3CC3)cc21
398247091	ZINC000097159584	mid	1.91	-12.65	0	222.292	0.43	2	3	4	Cc1n[nH]cc1CNCC(=O)N1CCCC1
197598932	ZINC000290113232	ref	5.68	-6.61	0	280.278	2.851	0	5	5	FC(F)Cn1nccc1-c1nc(CC2=CCCC2)no1
365625034	ZINC000625042875	ref	7.45	-19.97	0	319.449	2.362	1	2	2	C[C@@H]1CC[C@]2(CCN(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)C2)C1
365625044	ZINC000625042773	ref	2.56	-9.03	0	306.391	2.437	2	6	7	COCC[C@H](C)NC(=O)c1ncsc1Nc1cccnc1
398247096	ZINC000335866185	ref	3.74	-15.21	0	242.344	1.798	1	3	2	NC(=O)CC(=O)N1CCS[C@H]2CCCC[C@H]21
398247104	ZINC000335865628	ref	4.1	-16.32	0	242.282	1.842	2	3	3	CC(C)(C#N)CNC(=O)c1cccc2n[nH]cc12
365638875	ZINC000625088731	ref	4.73	-13.06	0	313.419	2.419	0	4	5	CCOc1ccccc1N(C)S(=O)(=O)[C@H]1COC(C)(C)C1
398247108	ZINC000390751594	ref	2.12	-41.38	1	229.32	0.808	1	3	5	COCC1([NH2+]C[C@@H]2CCOC2)CCOCC1
398247112	ZINC000076778369	ref	5.02	-10.12	0	224.329	2.56	2	2	4	CSC[C@H](C)NC(=O)Nc1ccccc1
398247116	ZINC000390739768	ref	4.9	-49.75	-1	246.27	1.434	1	6	4	Cc1cc(CNc2ccc(C(=O)[O-])cn2)n(C)n1
398247118	ZINC000390739768	low	5.38	-46.71	0	246.27	1.434	1	5	4	Cc1cc(CNc2ccc(C(=O)[O-])c[nH+]2)n(C)n1
342084248	ZINC000032747768	ref	4.92	-16.11	0	252.701	1.826	1	2	2	CNC(=O)c1ccc(Cl)c(N2CCCC2=O)c1
398247124	ZINC000650437298	ref	5.78	-10.74	0	247.31	3.14	1	2	4	Cc1cc(C(=O)NCCC(C)(F)F)c(C)s1
398247129	ZINC000335878765	ref	7.29	-10.42	0	248.282	2.526	0	3	2	Cc1cc(C(=O)N2[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-]
398247136	ZINC000390756019	ref	2.07	-39.26	1	208.261	0.894	2	2	3	CC1(C)C[NH2+][C@H]1C(=O)NCc1ccco1
398247137	ZINC000390756019	high	0.55	-9.08	0	208.261	0.894	2	3	3	CC1(C)CN[C@H]1C(=O)NCc1ccco1
398247141	ZINC000076779926	ref	6.15	-9.14	0	230.311	3.225	2	1	2	Cc1ccc(NC(=O)N[C@H]2CC=CCC2)cc1
136228667	ZINC000283956369	ref	5.27	-8.39	0	221.222	2.103	1	1	3	CC#CC(=O)N[C@@H]([C@H](C)CC)C(F)(F)F
342084249	ZINC000625344758	ref	2.8	-8.72	0	256.318	1.016	0	2	2	C[C@H]1CN(S(=O)(=O)N(C)C)C[C@@H](C)C1(F)F
342084250	ZINC000625346599	ref	3.97	-11.52	0	299.383	1.822	0	3	5	COC[C@H](C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342084251	ZINC000625346602	ref	4.01	-10.27	0	299.383	1.822	0	3	5	COC[C@@H](C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084252	ZINC000608906258	ref	7.7	-47.16	1	298.39	1.667	2	3	4	N#Cc1ccc(NCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1
342084253	ZINC000608906258	high	5.29	-11.52	0	298.39	1.667	1	4	4	N#Cc1ccc(NCC(=O)N2CC[C@H](N3CCCC3)C2)cc1
365625042	ZINC000274326057	ref	7.58	-47.26	1	299.374	1.593	2	2	4	O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC1CC1
365625046	ZINC000274326057	mid	7.59	-47.83	1	299.374	1.593	2	2	4	O=C1N[C@]2(CC[N@@H+](Cc3ccccc3)C2)C(=O)N1CC1CC1
370645411	ZINC000293465981	ref	5.26	-43.14	-1	296.371	1.405	1	5	7	CCCc1cc(NC(=O)C(=O)[N-]OC[C@@H](C)CC)n(C)n1
282120797	ZINC000286183471	ref	5.41	-47.91	1	334.424	-0.574	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)CC2
282120802	ZINC000286183471	high	3.45	-11.97	0	334.424	-0.574	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@@H](C)[C@@H](N(C)C)C1)CC2
432002778	ZINC000062198036	ref	8.15	-6.35	0	324.424	3.282	2	2	5	CCc1ccc(NC(=O)C(=O)NCC(C)(C)c2ccccc2)cc1
230740004	ZINC000414355199	ref	8.26	-49.09	1	306.425	3.198	1	2	4	CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CCO1
370645417	ZINC000293464619	ref	3.45	-12.13	0	280.288	1.336	0	8	6	CCn1ncc(-c2nc(CCC(C)(C)[N+](=O)[O-])no2)n1
365625055	ZINC000274326057	high	5.13	-7.95	0	299.374	1.593	1	3	4	O=C1N[C@]2(CCN(Cc3ccccc3)C2)C(=O)N1CC1CC1
342084254	ZINC000625344772	ref	7.66	-15.65	0	286.335	1.187	0	5	4	CN(C(=O)c1cccc(Cn2cncn2)c1)[C@@H]1CCOC1
178294687	ZINC000082790079	ref	2.48	-49.03	1	259.396	2.039	1	3	3	[NH3+]C[C@@H]1CCCC[C@H]1S(=O)(=O)c1cccs1
365625061	ZINC000274325973	ref	4.9	-22.32	0	284.315	1.372	1	3	1	O=C1CC[C@H](C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)N1
370645424	ZINC000293466672	ref	2.43	-11.83	0	285.409	1.884	2	3	7	CCC[C@@H](O)CNS(=O)(=O)Cc1c(C)cccc1C
303960095	ZINC000296087251	ref	4.8	-14.95	0	282.29	2.073	1	3	3	O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CC1(F)F
342084255	ZINC000625346683	ref	3.87	-11.65	0	299.383	1.964	0	3	4	COC(C)(C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
365625074	ZINC000274326480	ref	7.04	-12.05	0	291.303	1.673	1	5	4	COC(=O)c1cc(NC(=O)C2(C(=O)OC)CC2)ccc1C
187169776	ZINC000125110409	high	6.23	-8.2	0	260.234	3.129	1	2	5	N#Cc1ccc(CNCCCC(F)(F)F)c(F)c1
370645430	ZINC000293466797	ref	2.81	-17.83	0	267.373	1.702	3	2	6	CNC(=O)NCCC(=O)NCCC1=CCCCCC1
365625085	ZINC000274323983	ref	6.31	-13.77	0	268.338	1.619	0	5	3	CCOC(=O)[C@H]1CCCN1C(=O)c1csnc1C
365625093	ZINC000645272843	ref	3.36	-8.91	0	252.358	1.64	3	2	5	CC#CC[C@H](CO)NC(=O)NCC1(C)CCCC1
365625103	ZINC000274325540	low	7.16	-12.26	0	265.357	1.609	1	3	6	CCOC(=O)[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C
370645441	ZINC000236882561	ref	6.32	-51.43	1	270.442	2.392	1	2	3	CCS[C@@H]1CCCCN(C(=O)C2([NH3+])CCCC2)C1
342084256	ZINC000625344842	ref	4.91	-11.67	0	288.269	1.89	0	3	3	CN(C(=O)Cc1cc(C(F)(F)F)ccn1)[C@H]1CCOC1
342084257	ZINC000608905456	ref	4.52	-13.24	0	272.414	1.632	1	3	6	CC(C)SCC(=O)N1CCC[C@H](CCC(N)=O)C1
136228668	ZINC000283941118	ref	3.7	-10.39	0	233.271	1.265	2	3	2	CC#CC(=O)Nc1cc([C@@H]2CCCOC2)[nH]n1
185090710	ZINC000096080527	mid	1.49	-8.47	0	265.382	1.555	0	4	3	CC(C)CN1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]21
178294691	ZINC000082790081	ref	2.28	-48.31	1	259.396	2.039	1	3	3	[NH3+]C[C@@H]1CCCC[C@@H]1S(=O)(=O)c1cccs1
178294692	ZINC000082789703	ref	3.17	-52.08	1	261.774	2.243	1	2	6	[NH3+]CCCCCS(=O)(=O)c1ccc(Cl)cc1
185090712	ZINC000096079406	ref	9.42	-46.95	1	286.419	2.882	1	1	1	CC(=O)N1CCC2(CC1)C[C@@H]([NH+](C)C)c1ccc(C)cc12
365625048	ZINC000172840487	ref	5.14	-10.88	0	281.377	1.805	0	3	3	O=S(=O)(CC1CCOCC1)N1CCc2ccccc21
185090716	ZINC000096080710	ref	5.04	-15.12	0	298.302	0.805	0	5	2	O=C(c1ccco1)N1C[C@H]2CN(c3cncnc3)C(=O)[C@H]2C1
365625060	ZINC000172843690	ref	5.72	-13.04	0	294.376	1.568	1	4	5	COc1cccc(O[C@H](C)CN2C(=O)[C@@H](C)NC2=S)c1
230740001	ZINC000450457012	ref	3.24	-11.51	0	304.321	1.838	2	4	6	C[C@H](Oc1ccccn1)C(=O)N[C@H](CO)c1ccc(F)cc1
365625068	ZINC000172837814	ref	4.23	-39.89	1	277.372	1.005	2	4	4	CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1nccnc1N
230740005	ZINC000450460082	ref	5.29	-9.15	0	323.154	1.777	1	7	4	CN(C)c1noc(CNc2ncc(Br)cc2C#N)n1
230740007	ZINC000450457875	ref	3.12	-11.38	0	307.39	1.53	2	4	7	CC(C)[C@@H](CO)NC(=O)Cc1ccccc1O[C@@H]1CCOC1
365625078	ZINC000172837814	mid	4.05	-36.95	1	277.372	1.005	2	4	4	CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1nccnc1N
365625087	ZINC000172843892	ref	7.15	-10.93	0	278.377	1.868	1	3	4	Cc1ccccc1O[C@@H](C)CN1C(=O)[C@H](C)NC1=S
365625095	ZINC000172840041	ref	8.85	-67.33	1	277.368	1.266	1	2	4	CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc[n+]1[O-]
185090718	ZINC000096080013	ref	6.3	-15.78	0	258.321	1.669	2	2	3	CC(C)CNC(=O)[C@@H]1C[C@]12C(=O)Nc1ccccc12
349533503	ZINC000594965585	ref	4.36	-10.88	0	257.424	2.527	1	2	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1
185090720	ZINC000096081152	ref	2.25	-15.17	0	280.349	0.647	1	3	2	Cc1ccc(S(=O)(=O)N2CC[C@@H]3NC(=O)C[C@@H]32)cc1
178294695	ZINC000082790259	ref	2.4	-50.83	1	292.198	1.96	1	2	4	CC[C@@H](C[NH3+])S(=O)(=O)c1ccc(Br)cc1
178294698	ZINC000082790259	high	2.86	-8.75	0	292.198	1.96	1	3	4	CC[C@@H](CN)S(=O)(=O)c1ccc(Br)cc1
365625104	ZINC000172840041	mid	9.04	-62.13	1	277.368	1.266	1	2	4	CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc[n+]1[O-]
342084258	ZINC000608903207	ref	6.54	-16.38	0	258.347	1.269	0	7	8	CCCCn1nnnc1CSCC(=O)OCC
342084259	ZINC000608902271	ref	4.67	-16.93	0	272.414	1.551	2	3	7	CSCCNC(=O)C[C@@H](C)NC(=O)C1CCCC1
349533504	ZINC000594965585	high	4.36	-10.88	0	257.424	2.527	1	3	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ccsc2)C1
342084260	ZINC000608903740	ref	6.62	-17.42	0	277.368	1.586	1	3	6	C[C@H](CC(=O)N(CC#N)C1CC1)NC(=O)C1CCCC1
342084261	ZINC000608906341	ref	7.82	-44.95	1	278.312	1.233	2	3	3	O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H]([NH+]2CCCC2)C1
349533505	ZINC000594965058	ref	5.82	-55.17	1	282.453	2.738	1	2	3	C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)C1
342084262	ZINC000608906341	high	5.43	-7.38	0	278.312	1.233	1	4	3	O=C(c1ccc([N+](=O)[O-])[nH]1)N1CC[C@H](N2CCCC2)C1
342084263	ZINC000625344793	ref	3.99	-8.56	0	282.356	1.55	0	2	2	C[C@H]1CN(S(=O)(=O)N2CCCC2)C[C@@H](C)C1(F)F
342084264	ZINC000608906259	ref	7.71	-47.11	1	298.39	1.667	2	3	4	N#Cc1ccc(NCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1
214178295	ZINC000293503648	mid	5.42	-52.45	0	370.457	0.613	2	4	1	C[C@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC[N@H+](C2CCC2)C1
168365373	ZINC000368505338	ref	8.65	-10.19	0	342.468	3.295	1	5	1	CC1CCC(=CC(=O)N2CCc3c(sc4ncnc(N)c34)C2)CC1
398247095	ZINC000650868606	ref	2.73	-17.27	0	298.408	1.483	2	3	7	CCc1cccc(CNC(=O)NCCCS(C)(=O)=O)c1
342084265	ZINC000608906259	high	5.3	-11.39	0	298.39	1.667	1	4	4	N#Cc1ccc(NCC(=O)N2CC[C@@H](N3CCCC3)C2)cc1
136228669	ZINC000283938064	ref	3.45	-14.28	0	206.245	-0.253	1	2	2	CC#CC(=O)N1CC(NC(=O)C2CC2)C1
136228670	ZINC000283942270	ref	7.4	-35.49	1	230.355	2.031	1	1	4	C=CCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1
342084266	ZINC000608904096	ref	5.67	-17.18	0	279.384	1.88	2	3	7	CCC[C@H](C#N)NC(=O)C[C@@H](C)NC(=O)C1CCCC1
398247101	ZINC000650867402	ref	5.52	-10.85	0	290.371	1.474	1	6	3	Cc1c(C(=O)N[C@H](C)C(C)(C)C)nnn1-c1ccn(C)n1
398247106	ZINC000650867057	ref	1.14	-14.32	0	285.369	1.044	1	5	3	C[C@@H](NC(=O)c1ccnc(S(C)(=O)=O)n1)C(C)(C)C
398247110	ZINC000650867791	ref	1.98	-18.61	0	273.354	1.848	1	4	3	C[C@@H](NC(=O)c1coc(S(C)(=O)=O)c1)C(C)(C)C
342084267	ZINC000625346686	ref	3.33	-9.53	0	293.339	1.332	0	4	2	C[C@H]1CN(S(=O)(=O)c2ccnn2C)C[C@@H](C)C1(F)F
349533506	ZINC000594964737	ref	5.48	-12.36	0	269.385	2.605	1	1	4	C[S@](=O)[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2)C1
398247115	ZINC000650867560	ref	3.27	-17.02	0	294.33	1.056	3	4	7	O=C(NCCn1cnc2ccccc21)N[C@@H](CO)CCF
190492467	ZINC000269410640	ref	7.14	-10.66	0	277.364	3.372	1	3	5	CC[C@@H](C)Oc1cccc(NC(=O)[C@@H]2CCCCO2)c1
185090722	ZINC000096081143	ref	3.88	-20.1	0	281.315	1.338	1	3	1	O=C1C[C@@H]2[C@@H](CCN2C(=O)c2ccc3ncccc3c2)N1
214178296	ZINC000278476894	ref	7.38	-12.86	0	301.386	3.133	1	3	3	Cc1ccc2c(CC(=O)N[C@@H]3CCOC[C@@H]3C)coc2c1C
365625051	ZINC000625042900	ref	4.59	-39.65	1	312.417	2.111	1	4	5	COc1cncc(CN2CC[NH+](Cc3cccc(C)c3)CC2)n1
365625058	ZINC000625042900	mid	2.33	-5.38	0	312.417	2.111	0	5	5	COc1cncc(CN2CCN(Cc3cccc(C)c3)CC2)n1
365625066	ZINC000625041770	ref	7.08	-15.63	0	300.402	2.485	2	2	3	C[C@H](C(=O)N[C@@H]1CCCCc2ccccc21)[C@H]1CCC(=O)N1
178294708	ZINC000237054160	ref	3.98	-47.35	1	367.877	1.782	2	4	8	CCOc1c(Cl)cc(/C=C/C(=O)NCCN2CC[NH2+]CC2)cc1OC
365625075	ZINC000625041933	ref	2.82	-9.29	0	316.448	2.043	1	5	5	CC(C)Oc1cncc(S(=O)(=O)N[C@@H]2CCCSC2)c1
365625086	ZINC000625042263	ref	7.15	-18.14	0	307.438	2.217	1	2	3	CC(C)[C@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
342599423	ZINC000616993736	ref	6.83	-41.11	1	268.401	1.816	2	2	7	C=CCCOCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
178294712	ZINC000237045269	ref	6.74	-53.24	1	353.47	1.952	2	4	7	CC[NH2+]Cc1ccccc1NC(=O)CN1CCN(c2ccccn2)CC1
178294716	ZINC000237045269	low	9.28	-110.58	2	353.47	1.952	3	3	7	CC[NH2+]Cc1ccccc1NC(=O)C[NH+]1CCN(c2ccccn2)CC1
178294718	ZINC000237041251	ref	8.37	-63.38	-1	361.373	1.702	1	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cc2cc(F)ccc2[nH]1
398247109	ZINC000381281347	ref	-3.0	-100.37	2	215.297	-1.19	4	2	5	CCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@@H]1O
178294724	ZINC000237052470	ref	8.63	-49.21	-1	354.406	1.678	1	4	6	CN1C[C@@H](C(=O)NC[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])CC1=O
323004230	ZINC000126724769	ref	3.09	-10.25	0	206.249	0.891	1	4	2	CC(C)(C)n1cc(C(=O)NCC#N)cn1
178294728	ZINC000237039699	ref	4.91	-58.51	1	367.515	1.588	2	3	8	CC[NH2+]CC1CCN(C(=O)c2ccc(CNS(=O)(=O)CC)cc2)CC1
178294730	ZINC000237042737	ref	4.48	-47.69	-1	368.48	1.956	1	6	8	CN(C)[C@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
178294733	ZINC000237042737	mid	6.87	-72.14	0	368.48	1.956	2	5	8	C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
187169777	ZINC000125104447	ref	2.41	-21.88	0	278.352	1.926	3	3	7	CCC(=O)Nc1cccc(C(=O)NCC[C@H](O)CC)c1
342084268	ZINC000608905458	ref	4.54	-13.23	0	272.414	1.632	1	3	6	CC(C)SCC(=O)N1CCC[C@@H](CCC(N)=O)C1
214178297	ZINC000293503648	mid	6.28	-46.01	0	370.457	0.613	1	4	1	C[C@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC[N@@H+](C2CCC2)C1
222609271	ZINC000222570730	ref	7.45	-7.73	0	381.217	3.765	1	3	3	Cc1nc(C(C)C)ncc1C(=O)Nc1ccc(I)cc1
342084269	ZINC000625346805	ref	6.86	-14.37	0	287.367	1.743	1	5	2	Cc1cn2c(n1)C[C@H](C(=O)Nc1c(C)c(C)nn1C)CC2
342084270	ZINC000625346805	low	7.28	-40.9	1	287.367	1.743	1	4	2	Cc1cn2c([nH+]1)C[C@H](C(=O)Nc1c(C)c(C)nn1C)CC2
342084271	ZINC000625346764	ref	-0.24	-10.24	0	250.258	1.286	1	6	3	COc1nc(C(=O)Nc2c(C)c(C)nn2C)co1
398247111	ZINC000381281347	high	-3.34	-50.07	1	215.297	-1.19	4	3	5	CCC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O
398247114	ZINC000649444423	ref	2.39	-7.72	0	209.274	1.861	0	5	2	COc1cc(-c2cnn(C)c2C)sn1
185090724	ZINC000096081926	ref	12.08	-83.81	2	288.439	2.59	2	2	5	Cn1cc[nH+]c1NC[C@@H]1CCC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21
185090726	ZINC000096081926	mid	12.4	-83.45	2	288.439	2.59	2	2	5	Cn1cc[nH+]c1NC[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21
342084272	ZINC000608906786	ref	6.02	-10.95	0	279.34	1.008	0	5	3	CCc1c(C(=O)N2CCC[C@H](C(=O)OC)C2)cnn1C
185090728	ZINC000096081926	mid	11.62	-37.88	1	288.439	2.59	2	3	5	Cn1ccnc1NC[C@@H]1CCC[C@@H]2C[N@H+](CC3CC3)C[C@@H]21
342084273	ZINC000625346577	ref	6.68	-6.04	0	282.428	1.99	0	3	7	CCO[C@@H](CN1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1
178294734	ZINC000082789713	ref	2.87	-51.66	1	261.774	2.241	1	2	5	CC[C@H](CC[NH3+])S(=O)(=O)c1ccc(Cl)cc1
342084274	ZINC000625346577	mid	8.49	-42.21	1	282.428	1.99	1	2	7	CCO[C@@H](C[N@@H+]1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1
185090731	ZINC000096081926	mid	11.95	-37.72	1	288.439	2.59	2	3	5	Cn1ccnc1NC[C@@H]1CCC[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21
214178299	ZINC000293503648	mid	4.04	-42.16	-1	370.457	0.613	1	4	1	C[C@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC[N@H+](C2CCC2)C1
342084275	ZINC000625346577	mid	8.86	-39.88	1	282.428	1.99	1	2	7	CCO[C@@H](C[N@H+]1CCN(CC(C)C)C(=O)[C@@H]1C)C1CC1
342084276	ZINC000625346576	ref	6.14	-7.27	0	282.428	1.99	0	3	7	CCO[C@H](CN1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1
342084277	ZINC000625346576	mid	8.66	-39.14	1	282.428	1.99	1	2	7	CCO[C@H](C[N@@H+]1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1
342084278	ZINC000625346576	mid	8.21	-41.87	1	282.428	1.99	1	2	7	CCO[C@H](C[N@H+]1CCN(CC(C)C)C(=O)[C@H]1C)C1CC1
342084279	ZINC000625346568	ref	6.06	-16.04	0	259.309	1.504	0	4	2	Cc1cc(C(=O)N(C)[C@@H]2CCOC2)c2nccn2c1
178294722	ZINC000092046900	ref	2.55	-10.83	0	247.25	1.49	1	4	1	Cc1cc2cc(C(=O)N3C[C@H](O)CO3)ccc2o1
398247117	ZINC000381279862	ref	2.84	-36.48	1	217.353	1.796	2	2	7	CC[C@H](C)[C@H](C[NH2+][C@@H](C)C(C)(C)O)OC
178294732	ZINC000285620498	ref	6.47	-9.38	0	242.322	2.893	2	1	4	Cc1cc2cc(CNC(=O)CC3CC3)ccc2[nH]1
398247121	ZINC000649444560	ref	5.87	-5.9	0	201.269	2.949	1	1	1	C=C(C)c1ccc2c(c1)NC(=O)C2(C)C
398247123	ZINC000381279864	ref	3.13	-34.16	1	217.353	1.796	2	2	7	CC[C@H](C)[C@@H](C[NH2+][C@H](C)C(C)(C)O)OC
398247125	ZINC000649444542	ref	6.74	-5.43	0	202.253	3.073	0	2	1	C=C(C)c1ccc2c(c1)C(=O)C(C)(C)O2
398247128	ZINC000649444556	ref	3.23	-7.81	0	216.166	1.829	1	3	1	Cn1ccc(-c2cc(C(F)(F)F)[nH]n2)n1
178294741	ZINC000040957468	ref	7.45	-7.23	0	214.264	3.925	0	2	0	Cc1cc2c3c(ccc2o1)OC(C)(C)C=C3
398247131	ZINC000649444556	mid	3.21	-8.69	0	216.166	1.829	1	3	1	Cn1ccc(-c2cc(C(F)(F)F)n[nH]2)n1
178294749	ZINC000285522455	ref	5.84	-45.94	1	244.338	2.602	2	1	4	Cc1cc2cc(C[NH2+]CC3(C)COC3)ccc2[nH]1
398247132	ZINC000649444405	ref	3.37	-9.16	0	225.313	1.936	1	2	3	C=C(C)c1ccc(C)c(S(=O)(=O)NC)c1
398247135	ZINC000381279250	ref	-0.42	-61.34	1	215.297	-0.244	3	2	7	CCNC(=O)CCCC(=O)NC[C@H](C)[NH3+]
398247139	ZINC000649444559	ref	1.7	-8.41	0	217.315	1.689	1	3	3	C=C(C)c1ccc(S(=O)(=O)NC)s1
398247142	ZINC000649444559	high	1.27	-41.86	-1	217.315	1.689	0	3	3	C=C(C)c1ccc(S(=O)(=O)[N-]C)s1
398247144	ZINC000649444490	ref	3.59	-10.91	0	232.283	1.767	1	4	4	Cc1c(-c2ccccc2OCCO)cnn1C
398247147	ZINC000649444439	ref	6.1	-9.74	0	242.278	2.279	0	4	1	Cc1cc2c(c(-c3cnn(C)c3C)c1)OCC2=O
178294756	ZINC000269371875	ref	2.83	-8.5	0	247.294	2.16	2	3	3	Cc1cc2cc(C(=O)N[C@H](C)CO)oc2cc1C
178294764	ZINC000354878393	ref	3.95	-20.68	0	240.266	2.452	3	2	2	Cc1cc2c[nH]nc2cc1NC(=O)c1ccc[nH]1
178294770	ZINC000336421233	ref	2.04	-46.44	1	232.287	1.547	3	2	3	Cc1cc2c[nH]nc2cc1NC(=O)C[C@@H](C)[NH3+]
398247150	ZINC000649444439	high	5.28	-52.64	-1	242.278	2.279	0	4	1	Cc1cc(-c2cnn(C)c2C)c2occ([O-])c2c1
398247154	ZINC000649444516	ref	5.73	-7.15	0	220.247	2.543	0	3	2	COc1cc(F)cc(-c2cnn(C)c2C)c1
178294778	ZINC000334311606	ref	-0.71	-12.77	0	239.3	0.769	3	2	3	Cc1cc2cc(CNS(N)(=O)=O)ccc2[nH]1
398247155	ZINC000649444521	ref	1.14	-11.57	0	239.296	1.302	1	3	2	C=C(C)c1cc2c(c(S(N)(=O)=O)c1)OCC2
398247159	ZINC000381280791	ref	5.92	-44.89	1	239.363	1.613	1	3	8	CC[C@H](C)[C@@H](C[NH2+]CCc1cnn(C)c1)OC
398247164	ZINC000381278797	ref	5.61	-33.43	1	205.305	1.869	2	2	4	CC[N@H+](Cc1ccc(N)nc1)C1CCC1
365625052	ZINC000623053856	ref	7.24	-48.41	1	319.796	1.569	1	4	3	C[NH2+][C@H]1CCN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C1
178294735	ZINC000237042737	high	3.76	-101.33	-2	368.48	1.956	0	6	8	CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1)c1ccccc1
178294739	ZINC000237052519	ref	3.63	-56.49	1	358.236	1.5	2	3	4	CN(CC(=O)NC1CCC([NH3+])CC1)C(=O)c1ccc(Br)o1
214178298	ZINC000053372395	ref	6.54	-19.77	0	327.384	1.485	0	5	2	Cc1nn(CC(=O)N2CCO[C@H]3CCC[C@H]32)c(=O)c2ccccc12
178294740	ZINC000237043306	ref	4.16	-50.97	1	360.277	1.532	1	3	4	CN(CC(=O)N1CCC[C@H]1C[NH3+])C(=O)c1ccc(Br)s1
365625063	ZINC000623054236	ref	1.1	-48.3	1	316.361	1.304	3	3	2	C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)NC2=O
365625069	ZINC000623054236	high	-0.71	-73.66	0	316.361	1.304	2	3	2	C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O
178294743	ZINC000237040602	ref	1.94	-59.06	1	373.457	1.584	1	6	7	CCO[C@@H](C)c1noc(CN2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)n1
178294745	ZINC000237051444	ref	6.0	-61.28	-1	359.176	1.238	1	5	5	CN(CC(=O)NC1(C(=O)[O-])CCC1)C(=O)c1ccc(Br)o1
178294747	ZINC000237039646	ref	2.16	-52.57	1	373.441	1.175	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1
178294751	ZINC000237039646	high	2.0	-12.87	0	373.441	1.175	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1
178294752	ZINC000237050207	ref	5.8	-54.22	1	351.45	1.984	3	2	5	CNC(=O)c1cccc(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)c1
178294755	ZINC000237047893	ref	3.03	-58.36	1	353.488	1.718	2	3	7	CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)NCCC[NH3+])cc1
365625076	ZINC000623054753	ref	3.8	-52.73	1	319.434	1.966	2	5	8	CC(C)c1nnc(C(=O)NCCC[NH2+]Cc2cccnc2)s1
178294758	ZINC000237041270	ref	7.78	-61.61	-1	369.215	1.781	1	4	5	CC[C@H](NC(=O)[C@H]1CCN(c2ccccc2Br)C1=O)C(=O)[O-]
365625082	ZINC000623054753	high	2.44	-9.81	0	319.434	1.966	2	6	8	CC(C)c1nnc(C(=O)NCCCNCc2cccnc2)s1
178294759	ZINC000237055836	ref	8.13	-59.37	1	373.478	1.947	1	3	4	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCC[NH2+]CC1
178294761	ZINC000237055836	high	5.48	-21.92	0	373.478	1.947	1	4	4	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCCNCC1
342084280	ZINC000051018562	ref	6.29	-51.08	1	282.771	1.977	2	2	8	O=C(COc1cccc(Cl)c1)NCCC[NH2+]C1CC1
343994560	ZINC000599272420	mid	2.06	-9.58	0	296.411	1.557	1	5	4	C[C@@H]1CN(C[C@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
365625079	ZINC000122057921	low	7.11	-106.02	2	254.418	2.405	2	1	6	COC(C)(C)C[C@H](C)[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1
365625088	ZINC000122005415	ref	3.92	-33.21	1	267.76	2.077	1	2	2	C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccnc1Cl
342599424	ZINC000616993736	mid	6.77	-40.66	1	268.401	1.816	2	2	7	C=CCCOCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365625100	ZINC000122043143	ref	6.78	-35.15	1	282.428	2.181	2	2	5	CC(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1
342599425	ZINC000590840282	ref	4.84	-19.45	0	263.301	1.211	1	5	2	CCc1noc(NC(=O)N2CCC[C@](C)(C#N)C2)n1
365625108	ZINC000122043143	mid	6.51	-36.4	1	282.428	2.181	2	2	5	CC(C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1
342599426	ZINC000616993737	ref	6.84	-40.11	1	268.401	1.816	2	2	7	C=CCCOCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599427	ZINC000616993737	mid	6.83	-40.77	1	268.401	1.816	2	2	7	C=CCCOCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365625114	ZINC000122043143	high	4.6	-9.04	0	282.428	2.181	1	3	5	CC(C)C[C@@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1
365625121	ZINC000122169750	ref	5.48	-21.1	0	295.383	2.053	1	4	3	CC1(CNC(=O)CC#N)CCN(C(=O)OC(C)(C)C)CC1
190492468	ZINC000269410200	ref	6.82	-17.71	0	278.396	2.25	1	2	5	C=CC(=O)NCCC(=O)N1CCC[C@H]1C1CCCCC1
365625132	ZINC000122163399	ref	4.73	-12.33	0	292.385	2.383	0	4	2	O=S(=O)(c1ccccc1)N1CCSc2ncccc21
365625146	ZINC000122069795	ref	8.7	-68.77	0	296.411	2.012	2	3	5	C[C@H](C(=O)[O-])C(=O)NCC1([NH+]2CCCCC2)CCCCC1
365625157	ZINC000122022714	ref	8.55	-37.41	1	255.406	2.158	2	1	8	CC[NH+](CC)[C@H](C)CNC(=O)N(C)CCC1CC1
342599428	ZINC000590832366	ref	2.61	-16.16	0	265.357	1.671	3	3	3	N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@@H](O)C2)C1
365625172	ZINC000122054594	ref	5.77	-9.74	0	281.34	2.167	1	4	4	C#CCNC(=O)[C@@H](C#N)c1nc(-c2ccccc2)cs1
342599429	ZINC000590840229	ref	-1.54	-12.14	0	264.329	1.177	1	5	6	NC(=O)CN(Cc1nnc(C2CC2)o1)C1CCCC1
398247119	ZINC000650864987	ref	5.23	-10.73	0	280.368	1.659	1	4	5	COCCn1cc(C(=O)N[C@H](C)C(C)(C)C)ccc1=O
365625182	ZINC000122054594	mid	5.77	-9.74	0	281.34	2.167	1	4	4	C#CCNC(=O)C(C#N)c1nc(-c2ccccc2)cs1
365625190	ZINC000122153234	ref	8.26	-14.69	0	282.347	2.393	0	4	3	Cc1ccc(C)c(-n2ncc(C(=O)N(C)CC#N)c2C)c1
365625201	ZINC000122018462	ref	6.31	-14.66	0	299.459	2.472	2	2	9	CC(C)CN(CC(C)C)C(=O)NCCCNC(=O)C(C)C
342599430	ZINC000590831850	ref	6.07	-19.97	0	264.304	1.716	1	3	2	N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@@](F)(C#N)C2)C1
365625216	ZINC000122043373	ref	6.81	-35.21	1	282.428	2.181	2	2	5	CC(C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1
214178300	ZINC000278477476	ref	7.03	-15.02	0	309.377	1.866	1	7	5	c1cc(CNc2cnn(Cc3nnc4n3CCCC4)c2)ccn1
214178302	ZINC000278476213	ref	7.02	-18.04	0	311.385	2.504	2	3	3	Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCC3)c(=O)n1C
346818968	ZINC000601317081	ref	7.27	-46.12	1	267.442	2.049	1	3	4	C[C@@H](C1CCSCC1)[NH+]1CCN(CCC#N)CC1
343994562	ZINC000139398509	ref	0.58	-31.41	1	159.233	-0.876	2	3	3	COCC[NH+]1CCN(N)CC1
282120798	ZINC000533447507	high	3.68	-11.13	0	279.365	1.367	0	6	3	CN(Cc1cc(=O)n2ccsc2n1)C1CCOCC1
282120803	ZINC000533451142	ref	1.51	-18.62	0	290.323	1.172	3	4	5	CNC(=O)C(C)(C)CNC(=O)c1cc(-c2ccoc2)n[nH]1
214178312	ZINC000278477631	ref	4.19	-12.13	0	309.316	3.227	0	5	5	COc1ccccc1C[C@H]1CCCN1c1nnc(C(F)F)o1
365625091	ZINC000623054905	ref	4.63	-38.04	1	321.425	1.668	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1
365625097	ZINC000623054052	ref	1.85	-62.45	1	311.407	1.293	2	3	3	CS(=O)(=O)c1ccc(NC(=O)N2CCC(C[NH3+])CC2)cc1
214178315	ZINC000278476600	ref	7.81	-11.11	0	320.408	3.273	0	3	4	CC(C)[C@@]1(C)C[C@@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
343994564	ZINC000139398509	mid	-1.7	-3.09	0	159.233	-0.876	1	4	3	COCCN1CCN(N)CC1
214178316	ZINC000278476617	ref	6.29	-14.26	0	303.318	1.127	0	6	4	Cn1cncc1C(=O)N1CCOC[C@@H]1CC(=O)c1ccco1
346818972	ZINC000601317081	high	5.68	-6.74	0	267.442	2.049	0	4	4	C[C@@H](C1CCSCC1)N1CCN(CCC#N)CC1
197598945	ZINC000290111064	ref	6.81	-8.69	0	274.364	2.429	0	3	5	CCOC1CC(N(C)C(=O)/C=C/c2ncccc2C)C1
197598946	ZINC000290112904	ref	-1.5	-11.44	0	299.396	0.221	2	6	4	C[C@H](O)C(=O)N1CCN(Cc2cnc([C@@H](C)O)s2)CC1
214178318	ZINC000278477659	ref	3.73	-17.53	0	318.402	2.774	3	4	5	CCNC(=O)Nc1ccc(C)c(NC(=O)Cc2cncs2)c1
214178320	ZINC000278476117	ref	5.09	-57.88	1	303.374	2.047	2	3	7	O[C@H](C[NH2+]C[C@@H]1CCSC1)COc1ccc(F)c(F)c1
214178322	ZINC000278477710	ref	8.46	-17.46	0	315.369	2.7	0	4	4	C=C(C)[C@H]1OCC[C@H]1C(=O)Oc1ccc(N2CCCC2=O)cc1
365625105	ZINC000623054573	ref	3.37	-48.48	1	324.356	1.95	2	4	5	[NH3+][C@H](CNC(=O)c1nnc(-c2c(F)cccc2F)s1)C1CC1
342084281	ZINC000625347371	ref	4.74	-12.49	0	263.37	1.429	0	6	4	CN(Cc1cnns1)C[C@@H]1CCc2nccn2C1
342084282	ZINC000625347371	low	7.36	-104.23	2	263.37	1.429	1	4	4	C[N@@H+](Cc1cnns1)C[C@@H]1CCc2[nH+]ccn2C1
342084283	ZINC000625347371	low	7.42	-105.36	2	263.37	1.429	1	4	4	C[N@H+](Cc1cnns1)C[C@@H]1CCc2[nH+]ccn2C1
185090732	ZINC000096080556	ref	3.26	-15.59	0	282.347	1.366	1	3	3	O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccc[nH]3)[C@H]2C1
185090734	ZINC000096080556	low	5.78	-51.55	1	282.347	1.366	2	2	3	O=C(c1ccncc1)N1C[C@H]2C[N@H+](Cc3ccc[nH]3)[C@H]2C1
185090736	ZINC000096080556	low	5.6	-50.49	1	282.347	1.366	2	2	3	O=C(c1ccncc1)N1C[C@H]2C[N@@H+](Cc3ccc[nH]3)[C@H]2C1
185090738	ZINC000096081259	ref	6.36	-16.01	0	276.361	1.749	0	3	3	C=CCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccsc1
185090741	ZINC000096080871	ref	7.4	-54.43	1	273.38	1.628	1	2	3	CC(C)C(=O)N1C[C@H]2C[N@H+](Cc3cccnc3)C[C@H]2C1
197598947	ZINC000290112863	ref	1.02	-12.82	0	294.829	1.804	0	5	2	C[C@H]1[C@H](C)S(=O)(=O)CCN1Cc1csc(Cl)n1
342599431	ZINC000616994144	ref	5.68	-43.34	1	286.416	1.276	2	3	8	CCOCCOCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599432	ZINC000616994144	mid	5.62	-42.74	1	286.416	1.276	2	3	8	CCOCCOCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599433	ZINC000616994124	ref	6.26	-45.74	1	291.395	1.235	2	3	3	Cn1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1=O
185090743	ZINC000096080871	mid	7.4	-53.66	1	273.38	1.628	1	2	3	CC(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cccnc3)C[C@H]2C1
185090745	ZINC000096080871	high	4.8	-11.13	0	273.38	1.628	0	3	3	CC(C)C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@@H]2C1
342599434	ZINC000616994124	mid	6.2	-45.48	1	291.395	1.235	2	3	3	Cn1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ccc1=O
342599435	ZINC000590832362	ref	3.03	-16.41	0	265.357	1.671	3	3	3	N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H](O)C2)C1
185090746	ZINC000096080727	ref	7.57	-44.19	1	299.418	1.677	1	2	4	O=C1[C@H]2C[N@H+](CCN3CCCC3)C[C@H]2CN1c1ccccc1
185090748	ZINC000096080727	mid	7.66	-47.49	1	299.418	1.677	1	2	4	O=C1[C@H]2C[N@@H+](CCN3CCCC3)C[C@H]2CN1c1ccccc1
342599436	ZINC000590832026	ref	6.02	-20.27	0	272.264	1.652	1	5	2	Cc1occc1-c1cc(NC(=O)N2CC(C#N)C2)no1
342599437	ZINC000063115951	ref	7.09	-47.51	1	293.411	1.034	3	2	5	CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCC1
342599438	ZINC000063115951	mid	6.95	-46.28	1	293.411	1.034	3	2	5	CC(=O)N[C@H](C(=O)N[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1
185090750	ZINC000096080727	mid	7.64	-38.07	1	299.418	1.677	1	2	4	O=C1[C@H]2CN(CC[NH+]3CCCC3)C[C@H]2CN1c1ccccc1
187169778	ZINC000125109281	ref	3.67	-44.0	1	251.223	2.315	2	1	4	C[C@H](CO)[NH2+]Cc1cc(F)cc(C(F)(F)F)c1
342599439	ZINC000063115951	high	4.63	-14.47	0	293.411	1.034	2	3	5	CC(=O)N[C@H](C(=O)N[C@@H]1CCN(C2CC2)C1)C1CCCC1
342599440	ZINC000063116008	ref	2.39	-6.43	0	266.37	1.067	1	5	4	CCc1nnsc1C(=O)N[C@H]1CCN(C2CC2)C1
168365374	ZINC000368507874	ref	6.68	-10.11	0	341.48	3.362	1	4	5	Cc1ccc(-c2csc(CN3CCC[C@H]3C(=O)NC3CC3)n2)cc1
342084284	ZINC000625347493	ref	6.7	-12.46	0	294.399	1.486	0	6	7	CCO[C@@H](CN1CCO[C@@H](c2nncn2CC)C1)C1CC1
168365375	ZINC000368507874	low	9.12	-36.46	1	341.48	3.362	2	3	5	Cc1ccc(-c2csc(C[N@@H+]3CCC[C@H]3C(=O)NC3CC3)n2)cc1
398247122	ZINC000650867113	ref	3.02	-15.09	0	287.363	1.483	3	2	3	C[C@H]1Cc2ccccc2[C@H]1NC(=O)N[C@@H]1C[C@H](C(N)=O)C1
230740041	ZINC000450460782	ref	1.88	-15.12	0	302.374	1.493	4	3	6	O=C(CC1(O)CCC1)N[C@@H](CO)Cc1c[nH]c2ccccc12
342084285	ZINC000625347493	mid	8.66	-47.72	1	294.399	1.486	1	5	7	CCO[C@@H](C[N@@H+]1CCO[C@@H](c2nncn2CC)C1)C1CC1
342084286	ZINC000625347493	mid	8.97	-46.63	1	294.399	1.486	1	5	7	CCO[C@@H](C[N@H+]1CCO[C@@H](c2nncn2CC)C1)C1CC1
365625096	ZINC000625042991	ref	5.73	-9.28	0	319.467	2.022	0	4	11	CCCCCOC1CN(S(=O)(=O)C[C@H](OCC)C2CC2)C1
342084287	ZINC000608896475	ref	3.45	-13.04	0	280.324	1.176	2	5	8	COC(=O)CCCNC(=O)CNc1cccc(OC)c1
365625102	ZINC000625042640	ref	5.7	-15.74	0	302.418	2.304	2	2	5	Cc1ccccc1C(C)(C)CNC(=O)[C@H](C)[C@@H]1CCC(=O)N1
365625110	ZINC000625043367	ref	7.51	-36.14	1	318.461	2.308	1	3	6	Cc1cccc(C[NH+]2CCN(CCOC3CCOCC3)CC2)c1
365625117	ZINC000625043367	mid	7.4	-35.13	1	318.461	2.308	1	3	6	Cc1cccc(CN2CC[NH+](CCOC3CCOCC3)CC2)c1
365625125	ZINC000625043367	mid	5.06	-4.92	0	318.461	2.308	0	4	6	Cc1cccc(CN2CCN(CCOC3CCOCC3)CC2)c1
230740057	ZINC000450457947	ref	5.86	-7.6	0	309.366	1.884	0	7	6	CCOC(=O)C[C@H]1C[C@H](OC)CN1c1nc(C2CCC2)no1
342084288	ZINC000625347571	ref	3.02	-8.48	0	253.733	1.397	0	3	2	C[C@@H]1C(=O)N(C)CCN1Cc1ncccc1Cl
214178301	ZINC000293503648	high	4.04	-42.16	-1	370.457	0.613	0	5	1	C[C@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCN(C2CCC2)C1
342084289	ZINC000608906915	ref	7.32	-14.83	0	271.357	1.459	0	4	5	COC(=O)[C@H]1CCCN(C(=O)[C@@H](C)OCC(C)C)C1
187169779	ZINC000125109281	high	2.44	-3.95	0	251.223	2.315	2	2	4	C[C@H](CO)NCc1cc(F)cc(C(F)(F)F)c1
349533507	ZINC000594964737	high	5.48	-12.36	0	269.385	2.605	1	2	4	C[S@](=O)[C@H]1CCC[C@H](NCc2ccc(F)cc2)C1
365625130	ZINC000625042641	ref	5.74	-15.41	0	302.418	2.304	2	2	5	Cc1ccccc1C(C)(C)CNC(=O)[C@H](C)[C@H]1CCC(=O)N1
365625137	ZINC000625042941	ref	5.67	-17.94	0	323.274	2.487	2	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1
168365377	ZINC000368507874	low	8.53	-35.12	1	341.48	3.362	2	3	5	Cc1ccc(-c2csc(C[N@H+]3CCC[C@H]3C(=O)NC3CC3)n2)cc1
349533508	ZINC000594966072	ref	4.11	-13.44	0	299.411	2.614	1	2	5	COc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)c1
342084290	ZINC000032771772	ref	2.68	-12.58	0	294.399	1.017	1	5	7	CCCCNC(=O)CN1CCN(Cc2cc(C)no2)CC1
342084291	ZINC000032771772	low	4.96	-46.73	1	294.399	1.017	2	4	7	CCCCNC(=O)CN1CC[NH+](Cc2cc(C)no2)CC1
230740039	ZINC000425555423	ref	4.88	-13.22	0	303.362	2.445	1	5	6	CCCC(C#N)(CCC)NC(=O)c1cc2c(cn1)OCCO2
342084292	ZINC000616407620	ref	3.32	-14.02	0	296.411	1.363	1	4	5	COCCN1CCC[C@@H](NC(=O)C2(C)CCC(=O)CC2)C1
342084293	ZINC000616407620	mid	6.17	-48.85	1	296.411	1.363	2	3	5	COCC[N@@H+]1CCC[C@@H](NC(=O)C2(C)CCC(=O)CC2)C1
342084294	ZINC000616407620	mid	5.63	-48.33	1	296.411	1.363	2	3	5	COCC[N@H+]1CCC[C@@H](NC(=O)C2(C)CCC(=O)CC2)C1
342084295	ZINC000625347024	ref	3.07	-11.45	0	296.333	1.49	1	3	5	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)[C@H](C)C1
349533509	ZINC000594966072	high	4.11	-13.44	0	299.411	2.614	1	3	5	COc1ccc(F)c(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)c1
349533510	ZINC000594964742	ref	5.71	-14.32	0	290.432	2.646	1	2	4	Cc1cc(C[NH2+][C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1C#N
365625101	ZINC000479738237	ref	5.6	-7.6	0	260.403	1.947	1	3	3	CO[C@@H](C)[C@H](C)NC(=O)N1CCSCC[C@H]1C
342084296	ZINC000625347024	low	5.2	-41.21	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1
342084297	ZINC000625347024	low	5.27	-35.75	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1
365625115	ZINC000641592153	ref	2.4	-15.31	0	284.381	1.141	1	4	8	COCCCS(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
342084298	ZINC000608897281	ref	4.44	-10.91	0	271.338	1.505	1	5	7	COCCC(=O)N[C@H](CC(=O)OC)c1cccs1
342084299	ZINC000616407546	ref	3.53	-18.08	0	257.384	1.258	1	5	5	Cc1nnc(CC(=O)NCCC2CSC2)s1
342084300	ZINC000616407527	ref	6.7	-13.06	0	253.371	1.704	1	4	6	C[C@@H](CC(=O)NCCC1CSC1)n1ccnc1
342084301	ZINC000616407527	low	7.38	-40.23	1	253.371	1.704	1	3	6	C[C@@H](CC(=O)NCCC1CSC1)n1cc[nH+]c1
342084302	ZINC000625345231	ref	0.65	-7.84	0	287.31	1.921	1	5	3	Cc1noc([C@H]2C[C@H](O)CN2C[C@@H]2CCC(F)(F)C2)n1
342084303	ZINC000625345231	mid	2.85	-46.78	1	287.31	1.921	2	4	3	Cc1noc([C@H]2C[C@H](O)C[N@@H+]2C[C@@H]2CCC(F)(F)C2)n1
342084304	ZINC000625345231	mid	3.67	-42.27	1	287.31	1.921	2	4	3	Cc1noc([C@H]2C[C@H](O)C[N@H+]2C[C@@H]2CCC(F)(F)C2)n1
342084305	ZINC000608906916	ref	7.32	-14.86	0	271.357	1.459	0	4	5	COC(=O)[C@@H]1CCCN(C(=O)[C@H](C)OCC(C)C)C1
282120809	ZINC000219170760	ref	6.11	-36.46	1	267.442	3.357	1	3	7	CCC(CC)(C[NH2+][C@@H](C)c1nccnc1C)SC
282120819	ZINC000219170760	high	5.04	-5.76	0	267.442	3.357	1	4	7	CCC(CC)(CN[C@@H](C)c1nccnc1C)SC
365625109	ZINC000274325540	low	9.48	-85.99	2	265.357	1.609	1	3	6	CCOC(=O)[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C
398247127	ZINC000650867048	ref	3.36	-9.43	0	280.343	1.94	3	2	5	C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N[C@H](CO)CCF
398247130	ZINC000650867050	ref	3.88	-9.6	0	280.343	1.94	3	2	5	C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@H](CO)CCF
398247134	ZINC000650867228	ref	1.57	-13.48	0	291.413	1.131	1	4	3	C[C@@H](NC(=O)C1(S(C)(=O)=O)CCOCC1)C(C)(C)C
282120826	ZINC000183880278	ref	7.95	-45.36	1	320.433	3.275	2	3	8	CCC(CC)(C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1)C(=O)OC
398247138	ZINC000650867372	ref	6.29	-11.94	0	292.379	1.488	1	3	3	C[C@@H](NC(=O)CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)C(C)(C)C
398247143	ZINC000650866083	ref	1.15	-8.15	0	289.376	1.786	3	4	7	CCc1nc([C@H](C)NC(=O)N[C@@H](CO)CCF)cs1
342084306	ZINC000067686676	ref	6.8	-81.76	2	296.459	1.5	4	1	5	CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1
342084307	ZINC000067686676	mid	6.73	-81.53	2	296.459	1.5	4	1	5	CC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1
342084308	ZINC000067686676	high	4.42	-39.36	1	296.459	1.5	3	2	5	CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1
342084309	ZINC000067686676	high	4.35	-39.08	1	296.459	1.5	3	2	5	CCN1CCC(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CC1
342084310	ZINC000625347023	ref	2.87	-10.24	0	283.34	1.328	0	3	2	C[C@@H]1CN(S(=O)(=O)[C@@H]2CCOC2)C[C@@H](C)C1(F)F
342084311	ZINC000625345197	ref	3.42	-17.77	0	297.376	1.4	0	4	3	CCC(=O)N1CCO[C@H](c2ccc(S(C)(=O)=O)cc2)C1
342084312	ZINC000067686673	ref	6.79	-81.17	2	296.459	1.5	4	1	5	CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1
342084313	ZINC000067686673	mid	6.75	-81.81	2	296.459	1.5	4	1	5	CC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1
342084314	ZINC000067686673	high	4.42	-38.73	1	296.459	1.5	3	2	5	CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1
342084315	ZINC000067686673	high	4.37	-39.53	1	296.459	1.5	3	2	5	CCN1CCC(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CC1
342084316	ZINC000608915202	ref	6.84	-44.49	1	282.344	1.393	2	4	7	CC[C@@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C
342084317	ZINC000608915202	mid	6.84	-44.07	1	282.344	1.393	2	4	7	CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C
342084318	ZINC000608897382	ref	4.7	-8.77	0	251.282	1.757	1	4	5	COCCC(=O)Nc1cccc(C(=O)OC)c1C
365625111	ZINC000172843419	ref	7.1	-11.98	0	278.377	1.868	1	3	4	Cc1cccc(O[C@H](C)CN2C(=O)[C@H](C)NC2=S)c1
365625120	ZINC000172842726	ref	7.66	-12.34	0	282.365	1.635	1	4	5	CCc1ccc([C@H](COC)N2C(=O)[C@H](C)NC2=S)o1
365625127	ZINC000643087885	ref	5.94	-12.37	0	266.345	1.06	0	6	6	COCc1nnc(N(C)C2CC2)n1C[C@@H]1CCOC1
365625138	ZINC000172837100	ref	6.91	-14.11	0	278.352	1.934	0	3	5	CON(C)C(=O)c1ccc(CN(C)C(=O)C(C)C)cc1
365625149	ZINC000643087575	ref	5.78	-19.5	0	266.304	1.8	1	4	3	Cc1cc(NC(=O)Cn2cccn2)c2ccccc2n1
178294762	ZINC000237045509	ref	3.62	-51.65	1	374.551	1.013	1	3	4	CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1
365625163	ZINC000172844145	ref	6.48	-11.46	0	282.34	1.698	1	3	4	C[C@H](CN1C(=O)[C@@H](C)NC1=S)Oc1ccc(F)cc1
178294766	ZINC000237045509	high	3.28	-12.7	0	374.551	1.013	1	4	4	CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
178294768	ZINC000237052912	ref	4.15	-65.81	1	367.431	1.024	2	6	9	CCS(=O)(=O)NCC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1
365625175	ZINC000172843423	ref	7.08	-11.44	0	278.377	1.868	1	3	4	Cc1cccc(O[C@@H](C)CN2C(=O)[C@@H](C)NC2=S)c1
178294771	ZINC000237052912	high	3.77	-19.49	0	367.431	1.024	2	7	9	CCS(=O)(=O)NCCNCc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1
365625183	ZINC000643087931	ref	7.23	-12.12	0	294.399	1.84	0	6	7	CCN(c1nnc(COC)n1C[C@H]1CCOC1)C1CCC1
365625192	ZINC000172842807	ref	6.32	-24.22	0	292.383	1.324	1	4	4	CC(C)[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
282120810	ZINC000533450972	ref	0.67	-9.19	0	284.381	1.394	2	5	5	CC(C)c1ncc(C(=O)NC[C@H](O)[C@@H]2CCOC2)s1
342084319	ZINC000608895640	ref	3.93	-50.97	1	280.328	1.121	3	4	8	CC(C)[NH2+]CC(=O)NCCNc1ccc([N+](=O)[O-])cc1
178294773	ZINC000237043833	ref	2.9	-53.03	1	371.478	1.468	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
222609277	ZINC000283810228	ref	4.87	-11.92	0	323.368	1.688	1	5	5	CO/N=C/C(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)c(F)c1
282120812	ZINC000533447246	ref	4.87	-43.7	1	278.352	1.744	2	3	5	COc1ccc(NC(=O)C[N@H+](C)C2CCOCC2)cc1
365625199	ZINC000643087730	ref	6.23	-12.09	0	294.399	1.84	0	6	5	COCc1nnc(N2CCCC[C@H]2C)n1C[C@H]1CCOC1
259308846	ZINC000084010488	ref	3.25	-12.01	0	218.26	1.206	1	5	1	Nc1ccc2nc(C3CCOCC3)nn2c1
365625208	ZINC000172838151	ref	6.5	-40.28	1	291.395	1.63	2	2	4	Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c(=O)[nH]1
365625112	ZINC000623054864	ref	5.12	-48.61	1	324.356	1.917	1	4	2	C[C@@H]1C[NH2+]CCN1C(=O)c1nnc(-c2c(F)cccc2F)s1
365625119	ZINC000623054864	mid	3.79	-10.31	0	324.356	1.917	1	5	2	C[C@@H]1CNCCN1C(=O)c1nnc(-c2c(F)cccc2F)s1
342599441	ZINC000063116008	mid	4.84	-43.19	1	266.37	1.067	2	4	4	CCc1nnsc1C(=O)N[C@H]1CC[N@@H+](C2CC2)C1
282120814	ZINC000372475986	high	7.24	-40.99	1	344.503	2.197	2	2	4	CN(C)[C@H]1CCc2ccccc2[C@@H]1NC(=O)N1CC[C@@H](C[NH+](C)C)C1
365625131	ZINC000623054533	ref	3.82	-50.53	1	303.362	1.721	3	3	2	O=C(Nc1ccc2c(c1)OCCO2)N[C@H]1CC12CC[NH2+]CC2
365625139	ZINC000623053791	ref	2.28	-51.63	1	307.35	1.052	3	4	5	COc1cc(NC(=O)N[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc(OC)c1OC
365625147	ZINC000623054987	ref	6.14	-54.0	1	304.394	1.145	2	2	4	CCc1ccc(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1
259308851	ZINC000517231816	ref	4.31	-37.52	1	237.343	2.123	2	2	7	CCO[C@H](C[NH2+][C@H](C)[C@H](C)O)c1ccccc1
197598972	ZINC000162897174	ref	2.85	-8.7	0	307.394	2.497	3	3	6	CCCOc1ccccc1NC(=O)N[C@H](C(N)=O)C(C)(C)C
342599442	ZINC000063116008	mid	4.73	-42.91	1	266.37	1.067	2	4	4	CCc1nnsc1C(=O)N[C@H]1CC[N@H+](C2CC2)C1
342599443	ZINC000590832219	ref	4.61	-19.68	0	295.383	1.373	1	4	3	CO[C@@H]1COCC[C@@H]1CNC(=O)N1CCC[C@](C)(C#N)C1
342599444	ZINC000590832961	ref	6.78	-14.29	0	298.383	1.542	1	4	6	CCOC(=O)COCCNC(=O)N1CCC2(CCC2)CC1
365625154	ZINC000623054987	mid	4.84	-16.12	0	304.394	1.145	2	3	4	CCc1ccc(NC(=O)N(C)CC(=O)N2CCNCC2)cc1
365625164	ZINC000623054416	ref	3.49	-47.79	1	312.345	1.823	2	4	6	C[NH2+]CCCNC(=O)c1nnc(-c2c(F)cccc2F)s1
342599445	ZINC000590840184	ref	2.81	-8.27	0	284.157	1.521	1	4	4	CN(CCO)Cc1cn2cc(Br)ccc2n1
214178303	ZINC000293498678	ref	2.41	-11.13	0	360.37	0.303	3	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@H](O)c1ccccc1C
365625169	ZINC000623054360	ref	5.26	-48.58	1	315.421	1.945	3	3	3	O=C(Nc1cccnc1N1CCCC1)N[C@H]1CC12CC[NH2+]CC2
230740085	ZINC000414355910	ref	7.09	-9.45	0	323.19	3.149	1	2	4	C=CCC[C@@H]1NC(=O)N(c2ccc(Br)cc2C)C1=O
342599446	ZINC000590840184	mid	4.89	-36.71	1	284.157	1.521	2	3	4	C[N@H+](CCO)Cc1cn2cc(Br)ccc2n1
342599447	ZINC000590840184	mid	5.18	-34.39	1	284.157	1.521	2	3	4	C[N@@H+](CCO)Cc1cn2cc(Br)ccc2n1
349533511	ZINC000594964742	high	5.71	-14.32	0	290.432	2.646	1	3	4	Cc1cc(CN[C@@H]2CCC[C@H]([S@@](C)=O)C2)ccc1C#N
370645444	ZINC000631719879	ref	-0.75	-45.27	1	263.281	0.321	2	3	5	C[C@H]([NH2+][C@H](C)CS(C)(=O)=O)[C@H](O)C(F)(F)F
361823000	ZINC000616604595	ref	3.84	-52.5	-1	257.293	1.859	1	4	1	O=C([O-])N1CCN[C@H](c2cncc3ccccc23)C1
343994563	ZINC000079940915	ref	3.5	-9.61	0	286.335	2.207	2	4	6	C=CCNC(=O)N[C@H](C)c1noc(Cc2ccccc2)n1
343994566	ZINC000079940387	ref	7.82	-43.83	1	287.407	2.179	3	1	7	C=CCNC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1
343994570	ZINC000079940387	mid	6.99	-44.01	1	287.407	2.179	3	1	7	C=CCNC(=O)NC[C@H]1CCC[N@H+]1CCc1ccccc1
178294775	ZINC000237043833	high	2.59	-13.43	0	371.478	1.468	2	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1
185090760	ZINC000096080630	ref	7.49	-46.73	1	291.395	0.431	1	2	4	C[NH+](C)CCN1C[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2C1=O
185090762	ZINC000096080630	high	5.0	-14.26	0	291.395	0.431	0	3	4	CN(C)CCN1C[C@@H]2CN(C(=O)C3CC=CC3)C[C@@H]2C1=O
178294779	ZINC000237050573	ref	4.01	-63.84	1	365.499	1.813	1	3	4	CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1
178294780	ZINC000237042482	ref	1.32	-60.08	1	353.469	1.8	3	4	7	CCc1ccsc1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1
214178304	ZINC000053373173	ref	9.11	-15.51	0	339.439	2.812	0	4	3	Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@H]2CCC[C@H]21
185090763	ZINC000096081114	ref	5.33	-15.51	0	258.321	1.027	1	2	2	Cc1ccc(CC(=O)N2CC[C@@H]3NC(=O)C[C@@H]32)cc1
185090765	ZINC000096080980	ref	7.78	-45.81	1	293.436	2.337	1	3	5	CCCCC[NH+]1C[C@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
214178307	ZINC000053372393	ref	6.53	-19.53	0	327.384	1.485	0	5	2	Cc1nn(CC(=O)N2CCO[C@@H]3CCC[C@@H]32)c(=O)c2ccccc12
361823006	ZINC000616604595	mid	5.1	-59.48	0	257.293	1.859	1	3	1	O=C([O-])N1CC[NH2+][C@H](c2cncc3ccccc23)C1
361823013	ZINC000616604600	ref	3.91	-10.92	0	271.32	1.947	1	4	1	COC(=O)N1CCN[C@H](c2cccc3ncccc23)C1
214178311	ZINC000053356904	ref	10.75	-14.9	0	339.483	4.977	1	2	5	O=C(CCCC1CCCCC1)N1CCC[C@H]1c1nc2ccccc2[nH]1
306234538	ZINC000557847852	mid	5.67	-47.32	1	331.42	1.597	3	3	5	COCC[NH+]1CCN(C(=O)N[C@H](C)c2ccc3n[nH]cc3c2)CC1
185090772	ZINC000096080798	ref	4.38	-55.75	1	295.408	0.795	1	3	4	CCS(=O)(=O)N1C[C@@H]2C[NH+](Cc3ccncc3)C[C@H]2C1
185090774	ZINC000096080798	mid	1.79	-11.72	0	295.408	0.795	0	4	4	CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccncc3)C[C@H]2C1
178305649	ZINC000026499531	ref	4.47	-7.45	0	237.266	2.099	0	5	1	Cc1cc2nnc(-c3ccncc3)nc2c(C)n1
370645452	ZINC000631719879	mid	-1.74	-13.32	0	263.281	0.321	2	4	5	C[C@H](N[C@H](C)CS(C)(=O)=O)[C@H](O)C(F)(F)F
178294782	ZINC000000482559	ref	4.26	-5.65	0	234.295	2.488	1	3	0	Cc1cc2c3c(c1)OC(C)(C)C[C@@H]3O[C@H](O)C2
178294786	ZINC000285362646	ref	7.76	-38.96	1	228.339	3.509	2	0	3	Cc1cc2cc(C[NH2+]C3CCCC3)ccc2[nH]1
178294792	ZINC000079961480	ref	6.76	-6.91	0	243.306	3.188	1	2	2	Cc1cc2cc(C(=O)N[C@H]3C[C@@H]3C)oc2cc1C
214178308	ZINC000293497214	ref	-1.01	-19.36	0	351.787	0.602	3	4	6	NS(=O)(=O)CCCCNC(=O)C(=O)Nc1ccc(Cl)c(F)c1
214178313	ZINC000293488644	ref	1.53	-13.31	0	352.412	0.386	1	5	2	O=C(Nc1ccc([C@H]2CCOC2)cc1)C(=O)N1CCS(=O)(=O)CC1
398247133	ZINC000191985387	ref	8.61	-37.64	1	242.366	2.064	1	1	2	C[NH+](C)[C@H]1CCCN(CC#Cc2ccccc2)C1
398247140	ZINC000209056238	ref	3.03	-17.16	0	245.286	1.412	2	4	3	Cc1n[nH]c(C)c1NC(=O)/C=C\c1ccnn1C
398247148	ZINC000645407395	ref	3.37	-40.54	-1	239.344	1.099	1	4	5	CC#CC[C@H](CO)N=c1nc(CCC)[n-]s1
398247153	ZINC000191997696	ref	3.22	-50.24	1	242.319	0.572	2	3	4	COC(=O)C1(NC(=O)[C@H](C)[C@H](C)[NH3+])CCCC1
178294801	ZINC000353134343	ref	8.34	-39.52	1	242.366	3.755	2	0	3	Cc1cc2cc(C[NH2+][C@@H]3CC[C@H](C)C3)ccc2[nH]1
178294804	ZINC000011995148	ref	7.01	-4.52	0	249.745	3.606	2	2	1	Cc1cc2cc(C(C)C)c(=NN)[nH]c2cc1Cl
178294810	ZINC000285405510	ref	5.97	-42.74	1	244.338	2.743	2	1	3	Cc1cc2cc(C[NH2+][C@@H]3CCO[C@H]3C)ccc2[nH]1
214190318	ZINC000337636399	ref	6.23	-11.87	0	292.379	2.235	1	4	7	CCCCOCC(=O)N[C@@H]1CCCO[C@@H]1c1ccncc1
178294821	ZINC000006003165	ref	8.31	-8.21	0	246.313	4.486	1	1	0	Cc1cc2c3ccccc3[nH]c2c2ccnc(C)c12
342084320	ZINC000608895640	high	2.73	-14.74	0	280.328	1.121	3	5	8	CC(C)NCC(=O)NCCNc1ccc([N+](=O)[O-])cc1
178294834	ZINC000173040099	ref	6.09	-7.04	0	229.279	2.942	1	2	2	Cc1cc2cc(C(=O)NC3CC3)oc2cc1C
178294840	ZINC000020271022	ref	7.07	-6.78	0	205.688	3.813	0	1	0	Cc1cc2cc(C)c(Cl)nc2cc1C
178294844	ZINC000285405504	ref	6.3	-42.11	1	244.338	2.743	2	1	3	Cc1cc2cc(C[NH2+][C@@H]3CCO[C@@H]3C)ccc2[nH]1
342084321	ZINC000051017339	ref	3.45	-47.81	1	289.322	1.468	2	3	10	CCOCCOC[C@H](O)C[NH2+]Cc1ccc(F)cc1F
342084322	ZINC000051017339	high	2.07	-9.18	0	289.322	1.468	2	4	10	CCOCCOC[C@H](O)CNCc1ccc(F)cc1F
342084323	ZINC000032783434	ref	4.13	-15.15	0	278.352	1.73	2	3	6	CCC(C)(C)NC(=O)COc1ccc(C(=O)NC)cc1
342084324	ZINC000625347022	ref	2.6	-11.56	0	283.34	1.328	0	3	2	C[C@H]1CN(S(=O)(=O)[C@@H]2CCOC2)C[C@@H](C)C1(F)F
342084325	ZINC000625347531	ref	7.53	-47.0	1	288.391	1.579	1	2	3	CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1
365625113	ZINC000274325540	high	7.16	-12.26	0	265.357	1.609	0	5	6	CCOC(=O)[C@H]1CCCN1CCCn1ccnc1C
365625124	ZINC000274324766	ref	6.91	-47.88	1	299.378	1.771	3	3	6	C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cncnc1
365625133	ZINC000274324766	high	5.08	-11.63	0	299.378	1.771	2	4	6	CN(C)C[C@@H](Cc1ccccc1)NC(=O)Nc1cncnc1
178294783	ZINC000237048647	ref	5.0	-50.77	1	352.523	1.295	1	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1
365625142	ZINC000637720834	ref	7.76	-47.63	1	291.37	1.933	2	1	3	Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CC(F)C3)C2)cc1
365625151	ZINC000637720834	mid	7.93	-48.97	1	291.37	1.933	2	1	3	Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N3CC(F)C3)C2)cc1
370645415	ZINC000566199763	ref	4.51	-47.43	1	285.351	1.153	2	3	4	C[NH2+]C[C@@H]1CCN(C(=O)c2n[nH]nc2-c2ccccc2)C1
370645421	ZINC000566200443	ref	6.61	-85.54	2	269.433	1.693	2	1	6	CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[C@@H]([NH3+])C(C)C
197598982	ZINC000290112224	ref	3.66	-7.74	0	286.253	2.177	1	3	3	O=C(NCC1=CCCOC1)c1cncc(C(F)(F)F)c1
342084326	ZINC000625347531	mid	7.43	-45.65	1	288.391	1.579	1	2	3	CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1
342084327	ZINC000625345196	ref	3.39	-17.27	0	297.376	1.4	0	4	3	CCC(=O)N1CCO[C@@H](c2ccc(S(C)(=O)=O)cc2)C1
342084328	ZINC000625347027	ref	3.18	-8.96	0	296.333	1.49	1	3	5	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H](O)[C@@H](C)C1
259308854	ZINC000517231818	ref	4.71	-40.68	1	237.343	2.123	2	2	7	CCO[C@H](C[NH2+][C@@H](C)[C@H](C)O)c1ccccc1
342084329	ZINC000625347027	low	5.24	-41.04	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](O)[C@@H](C)C1
342084330	ZINC000625347027	low	5.36	-36.35	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](O)[C@@H](C)C1
342084331	ZINC000625347021	ref	2.54	-10.13	0	283.34	1.328	0	3	2	C[C@@H]1CN(S(=O)(=O)[C@H]2CCOC2)C[C@@H](C)C1(F)F
342084332	ZINC000625347325	ref	4.45	-21.99	0	298.346	1.503	2	4	2	Cc1nn(C)c(NC(=O)[C@H]2CNC(=O)c3ccccc32)c1C
342084333	ZINC000625347402	ref	4.42	-13.63	0	267.72	1.676	1	5	2	Cc1nn(C)c(NC(=O)c2nn(C)cc2Cl)c1C
342084334	ZINC000625347491	ref	7.68	-12.72	0	294.399	1.486	0	6	7	CCO[C@H](CN1CCO[C@H](c2nncn2CC)C1)C1CC1
342084335	ZINC000625347491	mid	8.69	-45.97	1	294.399	1.486	1	5	7	CCO[C@H](C[N@@H+]1CCO[C@H](c2nncn2CC)C1)C1CC1
342084336	ZINC000625347491	mid	8.37	-46.82	1	294.399	1.486	1	5	7	CCO[C@H](C[N@H+]1CCO[C@H](c2nncn2CC)C1)C1CC1
342084337	ZINC000608897279	ref	1.89	-16.27	0	294.38	1.992	4	3	5	CSCCNC(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1
214178317	ZINC000293500398	ref	4.47	-13.96	0	366.37	0.333	2	7	6	COC(=O)c1cc(NC(=O)C(=O)NC[C@H](OC)C(=O)OC)c(C)cc1C
365625118	ZINC000576552725	ref	5.52	-9.35	0	237.303	2.176	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CC1)c1ccon1
214178321	ZINC000293494528	ref	7.46	-17.49	0	367.413	0.993	2	7	4	Cc1nc(NC(=O)C(=O)NCc2cc(N(C)C)nc3ccccc23)nn1C
178294784	ZINC000237048647	high	4.69	-12.64	0	352.523	1.295	1	4	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)N(C)C2CCCCC2)CC1
178294785	ZINC000237049449	ref	3.45	-56.69	1	364.465	1.073	2	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1
214178325	ZINC000293500395	ref	4.49	-14.31	0	366.37	0.333	2	7	6	COC(=O)c1cc(NC(=O)C(=O)NC[C@@H](OC)C(=O)OC)c(C)cc1C
214178328	ZINC000293492126	ref	6.38	-18.4	0	357.418	0.809	1	7	4	CC[C@H]1CCN1C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1
199273206	ZINC000294963679	ref	1.49	-11.54	0	288.347	2.478	2	4	6	C[C@@H](O)C[C@@H](C)CNC(=O)c1ocnc1-c1ccccc1
178294789	ZINC000237049449	low	5.66	-120.71	2	364.465	1.073	3	2	7	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CC[NH+](CCNC(=O)c2ccccc2F)CC1
214178332	ZINC000293500213	ref	4.86	-43.54	1	371.821	0.644	2	6	7	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)OC
214178335	ZINC000293500213	mid	4.86	-43.54	1	371.821	0.644	3	5	7	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)OC
178294791	ZINC000237049449	high	3.15	-18.02	0	364.465	1.073	2	4	7	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CCNC(=O)c2ccccc2F)CC1
178294793	ZINC000237042811	ref	8.81	-45.3	-1	351.794	1.705	0	7	7	CC[C@@H](C)N(CC(=O)[O-])C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1
365625126	ZINC000576563367	ref	4.33	-39.1	1	231.295	2.464	2	2	4	C[C@H]([NH2+][C@@H]1C[C@H]1CO)c1cc2ccccc2o1
230740089	ZINC000450458105	ref	6.83	-13.35	0	318.417	1.777	0	4	7	CCOCCOC1CN(C(=O)[C@H]2CCN(c3ccccc3)C2)C1
178294798	ZINC000237051365	ref	4.9	-45.01	1	358.511	1.92	1	4	6	CCc1nc(CN2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cs1
178294799	ZINC000237051365	high	4.57	-9.9	0	358.511	1.92	1	5	6	CCc1nc(CN2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)cs1
178294802	ZINC000237053395	ref	6.1	-69.65	1	357.432	1.614	1	5	7	CC[NH2+]CC1CCN(S(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])CC1
199273209	ZINC000294963173	ref	5.64	-51.64	1	291.366	3.027	2	2	7	COC[C@H](O)CC[NH2+][C@H](C)c1ccc(F)c2ccccc12
365625134	ZINC000576563367	high	3.22	-7.73	0	231.295	2.464	2	3	4	C[C@H](N[C@@H]1C[C@H]1CO)c1cc2ccccc2o1
342084338	ZINC000608906874	ref	6.14	-10.78	0	264.325	1.657	1	3	2	COC(=O)[C@@H]1CCCN(C(=O)c2cc(C)[nH]c2C)C1
342084339	ZINC000625347313	ref	3.95	-11.32	0	260.301	1.216	1	6	3	Cc1nn(C)c(NC(=O)c2cn(C3CC3)nn2)c1C
342084340	ZINC000394871561	ref	2.61	-10.3	0	272.692	1.003	2	5	6	CC(=O)NCCCNc1c(Cl)cncc1[N+](=O)[O-]
398247145	ZINC000390758548	ref	3.81	-44.94	1	225.317	1.104	1	3	2	CN(C(=O)[C@@H]1[NH2+]CC1(C)C)c1nccs1
168365378	ZINC000368505082	ref	7.07	-10.07	0	327.811	3.218	2	2	3	O=C(N[C@H]1Cc2ccccc2[C@@H]1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
342084341	ZINC000608913774	ref	7.95	-41.24	1	297.424	1.946	2	5	6	CCOC(=O)c1sc(NC[C@H]2CCC[N@@H+]2CC)nc1C
342084342	ZINC000608913774	mid	7.16	-44.06	1	297.424	1.946	2	5	6	CCOC(=O)c1sc(NC[C@H]2CCC[N@H+]2CC)nc1C
342084343	ZINC000608913774	high	5.23	-6.46	0	297.424	1.946	1	6	6	CCOC(=O)c1sc(NC[C@H]2CCCN2CC)nc1C
398247149	ZINC000390758548	high	2.21	-12.43	0	225.317	1.104	1	4	2	CN(C(=O)[C@@H]1NCC1(C)C)c1nccs1
398247152	ZINC000313438741	ref	4.81	-8.22	0	237.303	1.441	1	3	4	CCOC[C@H]1CCCCN1C(=O)c1cn[nH]c1
342084344	ZINC000608907099	ref	6.73	-10.35	0	263.284	1.833	0	3	4	COC(=O)[C@H]1CCCN(C(=O)CCC(C)(F)F)C1
342084345	ZINC000625347372	ref	5.03	-12.76	0	263.37	1.429	0	6	4	CN(Cc1cnns1)C[C@H]1CCc2nccn2C1
342084346	ZINC000625347372	low	7.35	-104.63	2	263.37	1.429	1	4	4	C[N@@H+](Cc1cnns1)C[C@H]1CCc2[nH+]ccn2C1
398247158	ZINC000390750702	ref	1.77	-94.12	2	211.309	-0.147	3	1	3	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1
398247162	ZINC000650437780	ref	4.29	-12.2	0	230.258	2.407	2	1	4	Cc1cc(C(=O)NCCC(C)(F)F)c(C)[nH]1
349533512	ZINC000594964856	ref	6.51	-8.14	0	287.363	2.582	2	4	5	CC(C)(C)OC(=O)[C@@H](NCc1cn[nH]c1)c1ccccc1
349533513	ZINC000594965375	ref	5.74	-51.4	1	269.351	2.964	1	6	5	C[C@H](NCc1csc([N+](=O)[O-])c1)c1cscn1
398247167	ZINC000076780015	ref	4.92	-8.82	0	246.31	2.925	2	2	3	COc1ccccc1NC(=O)N[C@H]1CC=CCC1
398247171	ZINC000076778015	ref	3.26	-10.1	0	225.317	1.955	2	3	4	CSC[C@H](C)NC(=O)Nc1cccnc1
398247176	ZINC000390747707	ref	1.66	-42.98	1	208.265	0.357	2	3	2	Cn1cc(NC(=O)[C@H]2[NH2+]CC2(C)C)cn1
214178319	ZINC000053366626	ref	5.01	-13.59	0	343.83	2.656	2	3	9	CCCNC(=O)CN(CCC)CC(=O)Nc1cc(Cl)ccc1F
349533514	ZINC000594965375	low	5.74	-51.4	1	269.351	2.964	1	5	5	C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)c1cscn1
398247178	ZINC000390747707	high	0.13	-14.4	0	208.265	0.357	2	4	2	Cn1cc(NC(=O)[C@H]2NCC2(C)C)cn1
398247182	ZINC000390756817	ref	6.44	-105.9	2	228.405	1.669	2	1	3	CC(C)[C@H]1C[N@H+](C[C@@H]2CC[NH2+]C2)CCS1
365625122	ZINC000641591713	ref	2.77	-14.35	0	296.392	1.141	1	4	6	O=S(=O)(C[C@@H]1CCOC1)NC[C@@H]1C[C@H]1c1cccnc1
342599448	ZINC000590840283	ref	4.82	-19.71	0	263.301	1.211	1	5	2	CCc1noc(NC(=O)N2CCC[C@@](C)(C#N)C2)n1
342599449	ZINC000590840200	ref	4.67	-36.72	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@H]1COc2ccccc2O1
365625129	ZINC000641591461	ref	0.22	-6.89	0	278.356	1.095	2	5	4	C[C@H](O)C[C@H]1CCCCCN1c1cc(C(N)=O)ncn1
342599450	ZINC000590840200	mid	4.79	-40.61	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@H]1COc2ccccc2O1
365625136	ZINC000641592067	ref	6.3	-10.96	0	275.381	1.462	1	6	3	C[C@@H]1CSC[C@@H]1Nc1ccc(-c2ccnn2C)nn1
342599451	ZINC000590840200	high	2.62	-11.1	0	290.363	1.412	1	4	3	C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@H]1COc2ccccc2O1
342599452	ZINC000590832658	ref	6.39	-15.34	0	284.356	1.15	1	4	7	CCOC(=O)COCCNC(=O)N1CCC[C@H]1C1CC1
349533515	ZINC000594965191	ref	9.02	-40.51	1	275.371	2.66	1	2	4	CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1
342599453	ZINC000590831620	ref	7.0	-17.36	0	265.357	1.889	1	3	4	COC[C@H]1CCCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1
342599454	ZINC000590832360	ref	2.75	-18.85	0	265.357	1.671	3	3	3	N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@H](O)C2)C1
342599455	ZINC000590840207	ref	1.38	-13.22	0	264.329	1.033	1	5	4	C[C@@H]1CC[C@H](C(N)=O)CN1Cc1nc(C2CC2)no1
342599456	ZINC000590840207	mid	2.23	-44.41	1	264.329	1.033	2	4	4	C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(C2CC2)no1
342599457	ZINC000590840207	mid	3.02	-39.02	1	264.329	1.033	2	4	4	C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(C2CC2)no1
342599458	ZINC000590831851	ref	6.05	-19.22	0	264.304	1.716	1	3	2	N#CC[C@@H]1CC[C@H](NC(=O)N2CC[C@](F)(C#N)C2)C1
365625143	ZINC000641591593	ref	4.83	-6.79	0	288.395	1.653	0	5	3	C[C@H]1C[C@@H](N2CCOCC2)CN1c1cc(C2CC2)ncn1
365625148	ZINC000641591593	mid	7.01	-45.36	1	288.395	1.653	1	4	3	C[C@H]1C[C@@H]([NH+]2CCOCC2)CN1c1cc(C2CC2)ncn1
365625155	ZINC000641592100	ref	3.31	-10.31	0	286.339	1.041	1	6	3	Cn1cc([C@@H]2CCCCN2c2cc(C(N)=O)ncn2)cn1
365625166	ZINC000641592052	ref	4.16	-11.26	0	297.424	1.607	1	3	7	CC(C)CN(C)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365625176	ZINC000641592195	ref	3.24	-13.92	0	298.408	1.529	1	4	8	COCC[C@H](C)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365625184	ZINC000479744300	ref	0.89	-9.64	0	298.427	1.92	4	3	4	C[C@](O)(CNC(=O)N[C@@H]1CC[C@@H](O)CC1)C1CCCCC1
342599459	ZINC000616993999	ref	6.72	-41.6	1	292.427	1.589	2	3	5	Cn1cc(CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
365625140	ZINC000379911099	ref	8.38	-44.5	1	206.333	2.967	1	1	3	C[C@H](C#N)C[N@H+](C)[C@@H]1C=CCCCCC1
178294805	ZINC000237045572	ref	4.23	-50.91	1	353.488	1.283	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1
178294807	ZINC000237045572	high	3.91	-13.17	0	353.488	1.283	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1
178294809	ZINC000237048497	ref	6.19	-54.96	1	354.472	1.792	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2cc(C(=O)OC)ccc2C)CC1
178294814	ZINC000237052100	ref	2.73	-51.98	1	359.879	1.348	2	3	6	CN(CC(=O)NC1(C[NH3+])CCCC1)S(=O)(=O)c1ccc(Cl)cc1
365625145	ZINC000379911099	mid	8.21	-44.53	1	206.333	2.967	1	1	3	C[C@H](C#N)C[N@@H+](C)[C@@H]1C=CCCCCC1
178294818	ZINC000237042200	ref	10.52	-67.78	-1	369.421	1.872	0	5	5	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cccc(-n2cccc2)c1
365625150	ZINC000379911099	mid	6.17	-5.74	0	206.333	2.967	0	2	3	C[C@H](C#N)CN(C)[C@@H]1C=CCCCCC1
168365379	ZINC000368508874	ref	7.4	-53.51	1	341.48	3.265	2	3	5	Cc1ccc(-c2csc(C[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC3)n2)cc1
365625156	ZINC000379911105	ref	8.31	-41.54	1	206.333	2.967	1	1	3	C[C@@H](C#N)C[N@H+](C)[C@@H]1C=CCCCCC1
365625165	ZINC000379911105	mid	8.4	-44.21	1	206.333	2.967	1	1	3	C[C@@H](C#N)C[N@@H+](C)[C@@H]1C=CCCCCC1
365625170	ZINC000379911105	mid	6.26	-4.2	0	206.333	2.967	0	2	3	C[C@@H](C#N)CN(C)[C@@H]1C=CCCCCC1
214178323	ZINC000053366626	low	6.95	-42.26	1	343.83	2.656	3	2	9	CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1cc(Cl)ccc1F
178294822	ZINC000237042383	ref	3.93	-52.37	-1	351.428	1.304	1	6	7	CN(C)[C@H](CNS(=O)(=O)c1cc(C(=O)[O-])n(C)c1)c1ccccc1
178294824	ZINC000237042383	mid	6.28	-68.31	0	351.428	1.304	2	5	7	Cn1cc(S(=O)(=O)NC[C@H](c2ccccc2)[NH+](C)C)cc1C(=O)[O-]
214178326	ZINC000053366626	low	6.95	-43.52	1	343.83	2.656	3	2	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1cc(Cl)ccc1F
178294827	ZINC000237043010	ref	4.63	-48.59	-1	366.439	1.878	1	6	9	CN(C)[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccco1
282120815	ZINC000533447246	mid	4.85	-43.78	1	278.352	1.744	2	3	5	COc1ccc(NC(=O)C[N@@H+](C)C2CCOCC2)cc1
214178330	ZINC000053362550	ref	5.96	-14.14	0	329.381	2.003	1	6	4	COc1cc(CNC(=O)c2cnc3sccn3c2=O)ccc1C
365625179	ZINC000576560346	ref	7.22	-8.74	0	221.344	3.132	0	1	1	C[C@H]1C[C@H](C)N1C(=O)C1=CCC(C)(C)CC1
365625189	ZINC000576561032	ref	8.89	-7.25	0	241.4	2.775	0	2	3	CCC[C@@H]1C[C@H]1C(=O)N1C[C@@H](C)S[C@H](C)C1
365625197	ZINC000379911104	ref	8.39	-44.22	1	206.333	2.967	1	1	3	C[C@H](C#N)C[N@H+](C)[C@H]1C=CCCCCC1
398247146	ZINC000650867850	ref	5.21	-17.66	0	290.367	1.449	2	4	6	C[C@@H](CCO)N(C)C(=O)NCCn1cnc2ccccc21
214178324	ZINC000278477190	ref	6.24	-16.8	0	315.377	2.171	2	5	4	COc1cc(C)c(NC(=O)NCc2nnc3n2CCC3)cc1C
342084347	ZINC000625347372	low	7.42	-104.86	2	263.37	1.429	1	4	4	C[N@H+](Cc1cnns1)C[C@H]1CCc2[nH+]ccn2C1
398247151	ZINC000650867906	ref	5.67	-18.49	0	293.273	1.356	1	4	3	C[C@]1(C(=O)NCc2cc(=O)n3ccccc3n2)CC1(F)F
398247156	ZINC000650864881	ref	3.94	-9.23	0	280.343	1.736	3	2	6	O=C(NC[C@H]1CCc2ccccc21)N[C@H](CO)CCF
398247160	ZINC000650864882	ref	3.59	-9.49	0	280.343	1.736	3	2	6	O=C(NC[C@@H]1CCc2ccccc21)N[C@@H](CO)CCF
136228671	ZINC000283942270	mid	7.12	-32.01	1	230.355	2.031	1	1	4	C=CCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1
398247163	ZINC000650864880	ref	3.94	-9.22	0	280.343	1.736	3	2	6	O=C(NC[C@H]1CCc2ccccc21)N[C@@H](CO)CCF
398247165	ZINC000650867498	ref	6.93	-10.08	0	279.384	1.687	1	4	2	C[C@@H](NC(=O)c1c2n(c(=O)n1C)CCCC2)C(C)(C)C
136228672	ZINC000283942270	mid	7.42	-32.2	1	230.355	2.031	1	1	4	C=CC[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1
398247170	ZINC000650867111	ref	3.3	-14.6	0	287.363	1.483	3	2	3	C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H]1C[C@H](C(N)=O)C1
398247173	ZINC000650867907	ref	5.67	-18.12	0	293.273	1.356	1	4	3	C[C@@]1(C(=O)NCc2cc(=O)n3ccccc3n2)CC1(F)F
136228673	ZINC000283942270	mid	7.53	-30.97	1	230.355	2.031	1	1	4	C=CC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1
136228674	ZINC000283942270	high	5.08	-2.3	0	230.355	2.031	0	2	4	C=CCN1CCN(C)[C@H](Cc2ccccc2)C1
342084348	ZINC000608913783	ref	7.17	-44.26	1	297.424	1.946	2	5	6	CCOC(=O)c1sc(NC[C@@H]2CCC[N@@H+]2CC)nc1C
136228675	ZINC000283923899	ref	4.03	-13.22	0	246.314	0.258	0	4	1	CC#CC(=O)N1CCN(C)[C@@H](c2nccn2C)C1
197599007	ZINC000290112679	ref	5.21	-58.37	1	278.396	1.616	2	2	7	CCc1ccc(C(C)(C)CNC(=O)[C@H](C[NH3+])OC)cc1
342084349	ZINC000608913783	mid	7.92	-41.15	1	297.424	1.946	2	5	6	CCOC(=O)c1sc(NC[C@@H]2CCC[N@H+]2CC)nc1C
342084350	ZINC000608913783	high	5.5	-6.22	0	297.424	1.946	1	6	6	CCOC(=O)c1sc(NC[C@@H]2CCCN2CC)nc1C
342084351	ZINC000625347001	ref	5.16	-8.18	0	279.311	1.624	0	3	2	CN(C(=O)[C@@H]1COc2cc(F)ccc2C1)[C@H]1CCOC1
342084352	ZINC000051017855	ref	5.2	-42.84	1	254.28	1.723	2	1	6	O=C(CC[NH2+]C1CC1)NCc1ccc(F)cc1F
342084353	ZINC000608912706	ref	1.14	-15.7	0	296.396	1.9	4	3	6	CSCCNC(=O)N[C@H](C)c1ccc(NC(N)=O)cc1
342084354	ZINC000625347320	ref	5.35	-15.31	0	261.329	1.814	1	5	3	CCn1cc(C(=O)Nc2c(C)c(C)nn2C)c(C)n1
365625141	ZINC000625042941	high	4.52	-44.54	-1	323.274	2.487	1	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(=O)[n-]cn1
197599009	ZINC000290112679	high	4.77	-9.19	0	278.396	1.616	2	3	7	CCc1ccc(C(C)(C)CNC(=O)[C@H](CN)OC)cc1
342084355	ZINC000051017346	ref	3.86	-52.86	1	267.279	1.312	2	3	6	O[C@H](C[NH2+]Cc1ccc(F)cc1F)Cn1cccn1
290009802	ZINC000089147680	high	5.16	-43.47	1	252.789	3.118	2	1	4	C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])c1cccc(Cl)c1
342084356	ZINC000051017346	high	2.49	-12.43	0	267.279	1.312	2	4	6	O[C@H](CNCc1ccc(F)cc1F)Cn1cccn1
342084357	ZINC000608895659	ref	2.13	-12.96	0	254.355	1.597	3	3	6	CSCCNC(=O)NCCc1cccc(O)c1
342084358	ZINC000625347014	ref	0.46	-8.66	0	278.356	1.423	1	5	4	C[C@H]1CCN(Cc2noc(C3CCC3)n2)[C@@H](C(N)=O)C1
342084359	ZINC000608910742	ref	8.26	-12.79	0	290.363	1.534	0	4	4	COC(=O)[C@@H]1CCCN(C(=O)CN(C)c2ccccc2)C1
342084360	ZINC000608897278	ref	1.89	-16.25	0	294.38	1.992	4	3	5	CSCCNC(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1
342084361	ZINC000608907098	ref	6.73	-10.35	0	263.284	1.833	0	3	4	COC(=O)[C@@H]1CCCN(C(=O)CCC(C)(F)F)C1
342084362	ZINC000625347004	ref	5.17	-7.59	0	279.311	1.624	0	3	2	CN(C(=O)[C@H]1COc2cc(F)ccc2C1)[C@H]1CCOC1
342084363	ZINC000608906918	ref	7.34	-10.48	0	271.357	1.459	0	4	5	COC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)OCC(C)C)C1
342084364	ZINC000625347025	ref	3.22	-9.62	0	296.333	1.49	1	3	5	CCCN(CC(F)(F)F)C(=O)CN1CC[C@H](O)[C@H](C)C1
370645457	ZINC000631719828	ref	2.23	-11.91	0	277.386	0.994	0	4	4	COC1(CS(=O)(=O)N2C[C@H](C)OC[C@@H]2C)CCC1
342084365	ZINC000625347025	low	5.36	-37.32	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1
342084366	ZINC000625347025	low	5.24	-41.58	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1
342084367	ZINC000608896362	ref	6.65	-9.86	0	257.33	1.215	0	4	9	CCOC(=O)CCN(CC1CC1)C(=O)CCOC
342084368	ZINC000625347490	ref	6.35	-12.05	0	294.399	1.486	0	6	7	CCO[C@@H](CN1CCO[C@H](c2nncn2CC)C1)C1CC1
290009804	ZINC000268756612	ref	7.84	-44.67	1	272.392	3.411	2	1	3	C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc2c(c1)CCC(=O)N2
290009808	ZINC000086674558	ref	8.47	-39.43	1	262.401	2.844	1	3	3	C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1nnc2n1CCCCC2
290009817	ZINC000086674558	high	7.57	-9.23	0	262.401	2.844	1	4	3	C[C@H](N[C@@H]1CCC[C@@H]1C)c1nnc2n1CCCCC2
197599010	ZINC000290112764	ref	5.81	-35.43	1	270.38	2.854	2	3	5	Cc1cccnc1[C@H]([NH2+]Cc1cccnc1N)C(C)C
185090783	ZINC000096081111	ref	8.53	-12.95	0	297.362	1.023	0	5	2	Cn1cccc1C(=O)N1C[C@H]2CN(c3ncccn3)C[C@@H]2C1
197599012	ZINC000290112764	mid	4.85	-6.52	0	270.38	2.854	2	4	5	Cc1cccnc1[C@H](NCc1cccnc1N)C(C)C
342084369	ZINC000625347490	mid	9.0	-46.59	1	294.399	1.486	1	5	7	CCO[C@@H](C[N@@H+]1CCO[C@H](c2nncn2CC)C1)C1CC1
349533516	ZINC000594965191	mid	8.8	-39.49	1	275.371	2.66	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccc(C#N)c(F)c1
185090786	ZINC000096081270	ref	1.28	-15.82	0	275.308	-0.111	1	4	3	O=C(c1ccncc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CCO
222609280	ZINC000291777225	ref	6.23	-10.5	0	303.391	2.696	1	5	3	O=C(Nc1nc(C2CC2)cs1)N1CC[C@H](n2cccn2)C1
282120818	ZINC000151598772	ref	5.51	-11.87	0	314.385	2.443	2	3	6	COC[C@H](NC(=O)c1ccc(-c2ccccc2)[nH]c1=O)C(C)C
185090787	ZINC000096080650	ref	7.51	-10.96	0	274.364	1.279	0	2	3	O=C(C1CC=CC1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1
282120823	ZINC000151596938	ref	6.33	-8.67	0	305.422	2.473	1	4	6	COC[C@H](NC(=O)c1cccnc1N1CCCCC1)C(C)C
282120829	ZINC000151596847	ref	6.33	-8.7	0	305.422	2.473	1	4	6	COC[C@@H](NC(=O)c1cccnc1N1CCCCC1)C(C)C
197599025	ZINC000290110796	ref	2.65	-12.15	0	297.318	2.334	1	6	3	Cc1ccnc(-c2noc(-c3c[nH]nc3[C@H]3CCOC3)n2)c1
282120833	ZINC000151600089	ref	4.08	-15.94	0	324.38	2.124	3	3	6	CNC(=O)c1ccc(/C=C/C(=O)NCCc2ccccc2O)cc1
282120841	ZINC000151601078	ref	4.03	-9.55	0	321.768	2.329	1	6	3	Cc1ncc(Cl)c(C(=O)NC2(c3noc(C)n3)CCCC2)n1
342084370	ZINC000625347490	mid	8.39	-46.01	1	294.399	1.486	1	5	7	CCO[C@@H](C[N@H+]1CCO[C@H](c2nncn2CC)C1)C1CC1
342084371	ZINC000616407621	ref	3.34	-11.78	0	296.411	1.363	1	4	5	COCCN1CCC[C@H](NC(=O)C2(C)CCC(=O)CC2)C1
342084372	ZINC000616407621	mid	5.64	-48.51	1	296.411	1.363	2	3	5	COCC[N@@H+]1CCC[C@H](NC(=O)C2(C)CCC(=O)CC2)C1
342084373	ZINC000616407621	mid	6.15	-49.32	1	296.411	1.363	2	3	5	COCC[N@H+]1CCC[C@H](NC(=O)C2(C)CCC(=O)CC2)C1
342084374	ZINC000625347572	ref	2.9	-8.55	0	253.733	1.397	0	3	2	C[C@H]1C(=O)N(C)CCN1Cc1ncccc1Cl
342084375	ZINC000051017349	ref	4.08	-53.02	1	267.279	1.312	2	3	6	O[C@@H](C[NH2+]Cc1ccc(F)cc1F)Cn1cccn1
342084376	ZINC000051017349	high	2.65	-11.42	0	267.279	1.312	2	4	6	O[C@@H](CNCc1ccc(F)cc1F)Cn1cccn1
178294831	ZINC000237043010	low	6.62	-72.86	0	366.439	1.878	2	5	9	C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(CCC(=O)[O-])cc1)c1ccco1
365625152	ZINC000625042642	ref	5.75	-15.28	0	302.418	2.304	2	2	5	Cc1ccccc1C(C)(C)CNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1
365625158	ZINC000625043719	ref	4.57	-40.4	1	313.825	2.317	3	3	8	C[N@H+](CCOc1cccc(Cl)c1)C[C@@H](O)CC1(O)CCC1
365625168	ZINC000625043719	mid	4.57	-40.1	1	313.825	2.317	3	3	8	C[N@@H+](CCOc1cccc(Cl)c1)C[C@@H](O)CC1(O)CCC1
342599460	ZINC000616993999	mid	6.65	-41.2	1	292.427	1.589	2	3	5	Cn1cc(CCC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
178294832	ZINC000237041676	ref	7.02	-53.28	-1	369.215	1.781	1	4	5	CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cccc(Br)c2)C1)C(=O)[O-]
178294835	ZINC000237044285	ref	3.62	-21.08	0	360.439	1.264	1	5	4	CN(CC(=O)N1CCCc2c(N)cccc21)S(=O)(=O)c1cccnc1
398247157	ZINC000191997690	ref	3.13	-50.79	1	242.319	0.572	2	3	4	COC(=O)C1(NC(=O)[C@@H](C)[C@H](C)[NH3+])CCCC1
178294842	ZINC000237050014	ref	4.86	-42.55	1	354.545	1.445	1	5	5	CCc1nc(CN2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cs1
365625173	ZINC000625043719	high	2.15	-7.51	0	313.825	2.317	2	4	8	CN(CCOc1cccc(Cl)c1)C[C@@H](O)CC1(O)CCC1
178294845	ZINC000237050014	high	3.8	-11.62	0	354.545	1.445	1	6	5	CCc1nc(CN2CCN(C(=O)C[C@H]3CSCCN3)CC2)cs1
398247161	ZINC000285172791	ref	1.01	-10.87	0	243.303	-0.078	2	4	5	C=C[C@@](C)(O)CC(=O)N1C[C@H](OC)C[C@H]1CO
214178327	ZINC000278477259	ref	8.39	-44.92	1	315.417	2.79	2	2	3	COc1cc(C)c(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1C
178294848	ZINC000237039521	ref	1.27	-58.84	1	365.478	1.473	1	6	6	CCO[C@@H](C)c1noc(CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)n1
398247168	ZINC000191980614	ref	2.25	-15.93	0	244.291	0.394	1	4	8	C=CCN(CCOC)C(=O)CCNC(=O)OC
398247174	ZINC000004809587	ref	3.28	-53.96	1	215.68	2.206	1	2	4	CCOc1cc(C[NH3+])cc(Cl)c1OC
398247183	ZINC000209059565	ref	3.62	-10.52	0	205.261	2.097	2	2	3	C/C=C/C=C\C(=O)Nc1c(C)n[nH]c1C
178294850	ZINC000237039521	high	1.79	-10.82	0	365.478	1.473	1	7	6	CCO[C@@H](C)c1noc(CN2CCN(C(=O)C3(N)CCCCC3)CC2)n1
398247190	ZINC000191986997	ref	5.21	-5.65	0	212.293	1.562	0	4	4	CC[C@@H](C(=O)OC(C)(C)C)N(C)CC#N
214190322	ZINC000337633902	ref	-0.28	-19.69	0	276.312	-0.762	3	3	7	C[C@@H](NC(=O)NCCC(=O)N(C)C)C(=O)NCCF
342599461	ZINC000197349787	ref	2.55	-13.51	0	271.32	1.474	2	3	4	CC(C)[C@H](NC(=O)c1cnc2ccccc2c1)C(N)=O
342599462	ZINC000616993607	ref	6.27	-41.08	1	256.39	1.65	2	2	6	CCCOCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
282120820	ZINC000248955469	mid	1.12	-42.56	1	310.394	1.087	4	4	9	COc1ccc(NC(=O)CC[N@@H+](C[C@H](C)O)[C@H](C)CO)cc1
365625160	ZINC000354684425	mid	5.09	-41.28	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1
185090795	ZINC000096081103	ref	11.8	-103.32	2	272.436	3.24	2	0	6	CCCCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1
342084377	ZINC000616407528	ref	6.7	-13.02	0	253.371	1.704	1	4	6	C[C@H](CC(=O)NCCC1CSC1)n1ccnc1
365625167	ZINC000354684425	high	3.17	-8.83	0	269.389	1.289	1	3	2	CO[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@@H](C)C2)C1
365625174	ZINC000354684922	ref	3.46	-12.36	0	292.401	1.038	1	4	7	CCCC[C@H](NS(=O)(=O)N1CCCCC1)C(=O)OC
349533517	ZINC000594965191	mid	8.18	-134.28	2	275.371	2.66	2	2	4	CC(C)(C)[N@H+]1CC[C@@H]1CNCc1ccc(C#N)c(F)c1
365625180	ZINC000354684922	high	3.58	-43.35	-1	292.401	1.038	0	4	7	CCCC[C@H]([N-]S(=O)(=O)N1CCCCC1)C(=O)OC
365625188	ZINC000354685711	ref	5.91	-42.14	1	276.384	1.782	3	2	6	C[C@@H](C[NH+](C)C)NC(=O)N[C@H](c1cccnc1)C1CC1
365625191	ZINC000354685711	high	3.3	-7.42	0	276.384	1.782	2	3	6	C[C@@H](CN(C)C)NC(=O)N[C@H](c1cccnc1)C1CC1
365625198	ZINC000354686200	ref	3.7	-13.53	0	297.355	1.389	1	4	5	Cc1ccc(S(=O)(=O)NCCc2ccn(C)n2)cc1F
365625207	ZINC000354685363	ref	4.33	-10.88	0	265.357	1.664	2	3	6	COC1CCC(CNC(=O)CCc2ncc[nH]2)CC1
365625212	ZINC000354685363	low	4.8	-37.31	1	265.357	1.664	2	2	6	COC1CCC(CNC(=O)CCc2[nH]cc[nH+]2)CC1
342084378	ZINC000616407528	low	7.38	-40.22	1	253.371	1.704	1	3	6	C[C@H](CC(=O)NCCC1CSC1)n1cc[nH+]c1
365625219	ZINC000354685945	ref	4.28	-12.6	0	286.319	1.712	1	3	4	C[C@H]1CN(C(=O)NCCSCC(F)(F)F)CCO1
342084379	ZINC000608896483	ref	4.36	-12.8	0	294.351	1.567	2	5	9	CCOC(=O)CCCNC(=O)CNc1cccc(OC)c1
178305652	ZINC000005822724	ref	4.76	-10.01	0	231.299	2.747	0	4	1	Cc1cc2nn([C@@H]3CCCCO3)nc2cc1C
197599036	ZINC000162911218	ref	6.7	-8.37	0	320.458	2.448	1	4	3	Cc1cccc(C)c1NCC(=O)N1CCS[C@@H]2COCC[C@H]21
342084380	ZINC000625347016	ref	0.78	-11.15	0	278.356	1.423	1	5	4	C[C@@H]1CCN(Cc2noc(C3CCC3)n2)[C@@H](C(N)=O)C1
342084381	ZINC000625347020	ref	2.67	-10.51	0	283.34	1.328	0	3	2	C[C@H]1CN(S(=O)(=O)[C@H]2CCOC2)C[C@@H](C)C1(F)F
342084382	ZINC000625345230	ref	0.9	-8.61	0	287.31	1.921	1	5	3	Cc1noc([C@H]2C[C@H](O)CN2C[C@H]2CCC(F)(F)C2)n1
342084383	ZINC000625345230	mid	3.17	-46.11	1	287.31	1.921	2	4	3	Cc1noc([C@H]2C[C@H](O)C[N@@H+]2C[C@H]2CCC(F)(F)C2)n1
342084384	ZINC000625345230	mid	3.31	-43.15	1	287.31	1.921	2	4	3	Cc1noc([C@H]2C[C@H](O)C[N@H+]2C[C@H]2CCC(F)(F)C2)n1
178294847	ZINC000266313460	ref	6.7	-7.01	0	243.306	3.332	1	2	2	Cc1cc2cc(C(=O)NC3CCC3)oc2cc1C
190492479	ZINC000269410621	ref	5.16	-10.95	0	283.368	2.259	2	3	4	C[C@H](NC(=O)[C@@H]1CCCS1)[C@@H](O)c1cccc(F)c1
349533518	ZINC000594965191	low	9.31	-131.69	2	275.371	2.66	2	1	4	CC(C)(C)[N@@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1
342599463	ZINC000616993607	mid	6.2	-40.65	1	256.39	1.65	2	2	6	CCCOCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
178294853	ZINC000062528687	ref	7.33	-5.18	0	224.101	3.249	0	1	0	Cc1cc2cc(Br)ccc2n1C
178294855	ZINC000000488079	ref	8.32	-11.44	0	245.281	3.755	0	2	0	Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2
178294862	ZINC000354881319	ref	2.61	-19.67	0	241.254	1.847	3	3	2	Cc1cc2c[nH]nc2cc1NC(=O)c1cc[nH]n1
398247166	ZINC000381278797	mid	5.25	-33.88	1	205.305	1.869	2	2	4	CC[N@@H+](Cc1ccc(N)nc1)C1CCC1
178294871	ZINC000340657198	ref	4.17	-17.81	0	241.25	2.717	2	3	2	Cc1cc2c[nH]nc2cc1NC(=O)c1ccco1
178294877	ZINC000237811273	ref	3.35	-50.18	1	246.31	2.128	2	2	4	Cc1cc2cc(C(=O)NCCC[NH3+])oc2cc1C
178294881	ZINC000287235104	ref	3.73	-11.49	0	249.289	2.245	3	1	4	Cc1cc2cc(CNC(=O)NCCF)ccc2[nH]1
398247169	ZINC000381278797	high	3.66	-3.79	0	205.305	1.869	1	3	4	CCN(Cc1ccc(N)nc1)C1CCC1
349533519	ZINC000594965191	low	5.89	-7.41	0	275.371	2.66	2	1	4	CC(C)(C)[N@H+]1CC[C@@H]1C[NH2+]Cc1ccc(C#N)c(F)c1
398247172	ZINC000649444539	ref	7.68	-5.88	0	204.294	3.398	0	2	1	C=C(C)c1ccc2c(c1)C(=O)CCS2
178294904	ZINC000002077483	ref	11.57	-7.14	0	242.321	5.455	0	0	0	Cc1cc2c3ccccc3ccc2c2ccccc12
178294908	ZINC000022119511	ref	1.82	-15.46	0	231.255	1.239	3	3	1	Cc1cc2cc(/C(N)=N/O)c(=O)[nH]c2cc1C
349533520	ZINC000594965191	high	5.89	-7.41	0	275.371	2.66	1	3	4	CC(C)(C)N1CC[C@@H]1CNCc1ccc(C#N)c(F)c1
349535927	ZINC000594970575	high	6.43	-5.65	0	256.349	2.73	1	3	4	CC(C)(NCC1=CCCOC1)c1cccc(C#N)c1
178294913	ZINC000288568196	ref	5.29	-11.94	0	243.31	2.392	2	1	2	Cc1cc2cc(CNC(=O)N3CCC3)ccc2[nH]1
349535931	ZINC000594973604	ref	7.45	-48.05	1	292.285	2.987	1	3	6	C[C@H](COc1c(F)cccc1F)[NH2+]Cc1ccc(C#N)o1
342599464	ZINC000590840198	ref	4.65	-36.9	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1C[C@@H]1COc2ccccc2O1
178294921	ZINC000285482636	ref	7.85	-38.07	1	228.339	3.364	2	0	4	Cc1cc2cc(C[NH2+][C@@H](C)C3CC3)ccc2[nH]1
349535933	ZINC000594973604	mid	6.22	-9.49	0	292.285	2.987	1	4	6	C[C@H](COc1c(F)cccc1F)NCc1ccc(C#N)o1
282120821	ZINC000533447246	mid	2.63	-10.62	0	278.352	1.744	1	4	5	COc1ccc(NC(=O)CN(C)C2CCOCC2)cc1
342599465	ZINC000590840198	mid	4.95	-42.0	1	290.363	1.412	2	3	3	C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1C[C@@H]1COc2ccccc2O1
185090797	ZINC000096081103	mid	9.23	-36.73	1	272.436	3.24	1	1	6	CCCCC[NH+]1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1
342599466	ZINC000590840198	high	2.82	-11.97	0	290.363	1.412	1	4	3	C[C@@H]1CC[C@@H](C(N)=O)CN1C[C@@H]1COc2ccccc2O1
342599467	ZINC000590832654	ref	6.75	-15.06	0	298.383	1.683	1	4	6	CCOC(=O)COCCNC(=O)N1C2CCCC1CCC2
197599037	ZINC000290112859	ref	4.65	-7.86	0	260.337	2.591	1	4	4	Cc1cc(C)cc(Cc2noc(CC(C)(C)O)n2)c1
214178329	ZINC000278477259	high	5.82	-11.5	0	315.417	2.79	1	3	3	COc1cc(C)c(NC(=O)N2CC[C@@H](N3CC=CC3)C2)cc1C
214178331	ZINC000278478252	ref	4.5	-8.65	0	306.297	1.596	0	6	3	Cc1nonc1C(=O)N1CCC(Oc2ncccc2F)CC1
342599468	ZINC000616994034	ref	6.79	-38.66	1	292.427	1.818	2	3	5	Cc1cnn(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1
214178333	ZINC000278477826	ref	8.04	-10.08	0	313.319	2.988	1	2	4	COC(C)(C)CC(=O)NCC#Cc1cccc(C(F)(F)F)c1
342599469	ZINC000616994034	mid	6.78	-39.01	1	292.427	1.818	2	3	5	Cc1cnn(CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1
282120825	ZINC000533449719	ref	6.13	-24.44	0	293.392	1.829	1	4	3	CCC(=O)N1CC[C@@H](C(=O)Nc2nc3c(s2)CCC3)C1
282120828	ZINC000533451824	ref	3.92	-18.11	0	299.415	1.358	2	3	5	CNC(=O)C(C)(C)CNC(=O)N1CCC(OC(C)C)CC1
365625162	ZINC000637720834	high	5.21	-9.54	0	291.37	1.933	1	2	3	Cc1ccc(CN2CC[C@@H](NC(=O)N3CC(F)C3)C2)cc1
185090799	ZINC000096081113	ref	4.82	-15.02	0	258.321	1.027	1	2	2	Cc1ccc(CC(=O)N2CC[C@H]3NC(=O)C[C@@H]32)cc1
214178340	ZINC000278477863	ref	4.97	-50.48	1	321.808	2.252	3	2	4	NC(=O)c1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1Cl
214178341	ZINC000278477863	high	3.02	-14.38	0	321.808	2.252	2	3	4	NC(=O)c1cc(NC(=O)C2CCN(C3CC3)CC2)ccc1Cl
365625171	ZINC000274323884	ref	5.29	-34.79	1	281.375	1.763	1	3	6	CC[C@@H]1CN(Cc2cncc(F)c2)CC[N@@H+]1CCOC
214178342	ZINC000278478139	ref	3.12	-23.11	0	322.361	1.454	2	5	6	COc1ccc(NC(=O)[C@@H]2CC[C@@H](C(N)=O)O2)cc1OC(C)C
282120831	ZINC000533450709	ref	5.95	-9.71	0	265.357	1.678	0	4	7	CCn1cc(CN(C)C(=O)C2(CCOC)CC2)cn1
342599470	ZINC000590840247	ref	4.64	-49.49	1	289.379	1.745	3	2	7	NC(=O)C[N@H+](CCC(=O)Nc1ccccc1)C1CCCC1
214178334	ZINC000053373168	ref	8.94	-15.07	0	339.439	2.812	0	4	3	Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@H]2CCC[C@@H]21
365625177	ZINC000623054252	ref	5.75	-47.8	1	319.796	1.617	2	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N[C@@H]1CCC[NH2+]C1
365625187	ZINC000623054943	ref	6.13	-54.46	1	304.394	1.199	2	2	3	Cc1cccc(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1C
365625196	ZINC000623054943	mid	4.84	-16.62	0	304.394	1.199	2	3	3	Cc1cccc(NC(=O)N(C)CC(=O)N2CCNCC2)c1C
365625205	ZINC000623053855	ref	7.15	-48.75	1	319.796	1.569	1	4	3	C[NH2+][C@@H]1CCN(C(=O)c2nc(-c3ccc(Cl)cc3)nn2C)C1
365625213	ZINC000623054514	ref	3.97	-44.21	1	313.199	1.456	2	3	6	C[NH2+]CCCNC(=O)c1nc(C2CC2)ncc1Br
365625221	ZINC000623054782	ref	3.26	-56.39	1	315.377	1.889	4	3	6	C[NH2+]CCCNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
365625227	ZINC000623054782	high	2.16	-83.39	0	315.377	1.889	3	3	6	C[NH2+]CCCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
365625235	ZINC000623054903	ref	4.98	-31.54	1	321.425	1.668	2	4	5	COCCn1cc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cn1
365625243	ZINC000623054309	ref	6.32	-45.7	1	321.812	1.865	2	4	7	CC[NH2+]CCCNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365625249	ZINC000623053758	ref	2.58	-47.1	1	307.398	1.326	3	4	5	COCCn1cc(NC(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cn1
365638877	ZINC000625084435	ref	8.42	-40.48	1	319.493	2.48	1	2	3	O=C1[C@H](N2CCC[C@H]([NH+]3CCCC3)C2)CCN1C1CCCCC1
214178337	ZINC000053355679	ref	7.36	-23.64	0	330.384	2.065	0	4	3	COc1ccc2c(CC(=O)N3CCCN(C(C)=O)CC3)coc2c1
282120822	ZINC000130583219	ref	8.01	-41.59	1	307.463	2.719	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCc3sccc32)C1
282120836	ZINC000113456168	ref	10.33	-87.14	2	315.461	2.061	2	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1
282120842	ZINC000113456168	mid	10.76	-85.94	2	315.461	2.061	2	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)C1
342599471	ZINC000590840247	mid	4.62	-49.8	1	289.379	1.745	3	2	7	NC(=O)C[N@@H+](CCC(=O)Nc1ccccc1)C1CCCC1
342599472	ZINC000590840247	high	2.67	-13.14	0	289.379	1.745	2	3	7	NC(=O)CN(CCC(=O)Nc1ccccc1)C1CCCC1
365638879	ZINC000625086290	ref	3.27	-54.53	-1	304.249	2.005	1	3	3	O=c1[nH]cccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F
230740167	ZINC000425560828	ref	3.88	-13.9	0	319.331	2.242	2	4	8	C=CCn1cc(CNC(=O)NC[C@H](CC)CC(F)(F)F)nn1
398247175	ZINC000650867390	ref	6.52	-16.3	0	264.373	1.786	1	4	4	C[C@@H](NC(=O)Cc1nc(C2CC2)nn1C)C(C)(C)C
365625178	ZINC000625043735	ref	5.5	-10.5	0	300.362	2.12	1	5	7	Cc1ccc(OCCCNC(=O)c2cn(C3CC3)nn2)cc1
178294852	ZINC000237052558	ref	4.08	-57.6	1	374.304	1.969	2	3	4	CN(CC(=O)NC1CCC([NH3+])CC1)C(=O)c1ccc(Br)s1
398247180	ZINC000650868624	ref	6.82	-15.26	0	283.331	1.501	1	4	3	O=C(NCc1cc(=O)n2ccccc2n1)[C@@H]1CC12CCC2
365625185	ZINC000625041773	ref	6.71	-15.09	0	300.402	2.485	2	2	3	C[C@H](C(=O)N[C@H]1CCCCc2ccccc21)[C@H]1CCC(=O)N1
398247185	ZINC000650868690	ref	5.26	-37.69	1	269.389	1.195	3	2	9	C[C@H](COCC1CC1)NC(=O)NCC[N@H+](C)C1CC1
398247188	ZINC000650868690	mid	5.27	-37.83	1	269.389	1.195	3	2	9	C[C@H](COCC1CC1)NC(=O)NCC[N@@H+](C)C1CC1
398247192	ZINC000650868690	high	2.97	-7.52	0	269.389	1.195	2	3	9	C[C@H](COCC1CC1)NC(=O)NCCN(C)C1CC1
398247195	ZINC000650868554	ref	4.54	-41.76	1	283.416	1.131	3	2	6	C[C@@H](CO)C1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1
178294857	ZINC000237052077	ref	4.77	-44.21	1	350.488	1.438	3	5	5	CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CSCN1
398247197	ZINC000650868554	mid	4.55	-42.13	1	283.416	1.131	3	2	6	C[C@@H](CO)C1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1
178294859	ZINC000237052077	mid	2.41	-7.67	0	350.488	1.438	2	6	5	CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)[C@H]1CSCN1
178294861	ZINC000237052077	low	6.16	-85.1	2	350.488	1.438	3	4	5	CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CSC[NH2+]1
398247199	ZINC000650868554	high	2.26	-10.72	0	283.416	1.131	2	3	6	C[C@@H](CO)C1CCN(C(=O)NCCN(C)C2CC2)CC1
178294864	ZINC000237054886	ref	4.81	-57.93	1	361.467	1.851	2	3	8	CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCC[NH2+]C)c1
178294866	ZINC000237045581	ref	6.17	-62.89	1	373.478	1.866	1	3	4	Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CC[NH2+]CC3)c2)cc1
178294875	ZINC000237045581	mid	4.86	-11.44	0	373.478	1.866	1	4	4	Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N3CCNCC3)c2)cc1
178294878	ZINC000237044062	ref	0.78	-10.47	0	352.504	1.022	2	6	6	CCc1nc(CN2CCC(CNC(=O)[C@H]3COCCN3)CC2)cs1
178294880	ZINC000237044062	mid	2.21	-41.96	1	352.504	1.022	2	5	6	CCc1nc(CN2CCC(CNC(=O)[C@H]3COCC[NH2+]3)CC2)cs1
365625194	ZINC000625044858	ref	4.49	-10.31	0	307.387	2.447	1	3	3	Cc1ccc(S(=O)(=O)N[C@@H]2CCCSC2)c(F)c1F
398247203	ZINC000650864937	ref	4.67	-37.64	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@H]1CCCC[N@@H+]1CC
342084385	ZINC000625347017	ref	0.56	-7.53	0	278.356	1.423	1	5	4	C[C@H]1CCN(Cc2noc(C3CCC3)n2)[C@H](C(N)=O)C1
349533521	ZINC000093231471	ref	5.34	-53.59	1	267.285	0.529	1	4	7	CN(Cc1ccccc1[N+](=O)[O-])C(=O)COCC[NH3+]
214178339	ZINC000293496110	ref	3.93	-13.25	0	362.386	0.86	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1)OC
349533522	ZINC000093240328	ref	2.26	-10.87	0	282.344	0.764	2	5	4	COCCn1ccc(NC(=O)N2CC[C@@H](C)[C@H](O)C2)n1
365625181	ZINC000274323884	mid	5.17	-34.13	1	281.375	1.763	1	3	6	CC[C@@H]1CN(Cc2cncc(F)c2)CC[N@H+]1CCOC
365625186	ZINC000274323884	mid	3.0	-4.39	0	281.375	1.763	0	4	6	CC[C@@H]1CN(Cc2cncc(F)c2)CCN1CCOC
197599052	ZINC000162899419	ref	6.91	-23.35	0	303.325	2.069	1	5	4	N#Cc1cccc(CNC(=O)c2cccc(-n3ccnn3)c2)c1
365625195	ZINC000274323882	ref	4.97	-34.15	1	281.375	1.763	1	3	6	CC[C@H]1CN(Cc2cncc(F)c2)CC[N@@H+]1CCOC
214178345	ZINC000293490457	ref	6.38	-18.46	0	357.418	0.809	1	7	4	CC[C@@H]1CCN1C(=O)C(=O)Nc1cnn(Cc2nnc3n2CCCC3)c1
342084386	ZINC000608906917	ref	7.35	-10.43	0	271.357	1.459	0	4	5	COC(=O)[C@H]1CCCN(C(=O)[C@H](C)OCC(C)C)C1
342084387	ZINC000625347495	ref	7.32	-12.55	0	294.399	1.486	0	6	7	CCO[C@H](CN1CCO[C@@H](c2nncn2CC)C1)C1CC1
342084388	ZINC000625347495	mid	8.27	-46.35	1	294.399	1.486	1	5	7	CCO[C@H](C[N@@H+]1CCO[C@@H](c2nncn2CC)C1)C1CC1
342084389	ZINC000625347495	mid	8.85	-46.9	1	294.399	1.486	1	5	7	CCO[C@H](C[N@H+]1CCO[C@@H](c2nncn2CC)C1)C1CC1
342084390	ZINC000625347026	ref	3.03	-10.8	0	296.333	1.49	1	3	5	CCCN(CC(F)(F)F)C(=O)CN1CC[C@H](O)[C@@H](C)C1
342084391	ZINC000625347026	low	5.26	-36.47	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@H](O)[C@@H](C)C1
342084392	ZINC000625347026	low	5.2	-41.49	1	296.333	1.49	2	2	5	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@H](O)[C@@H](C)C1
342084393	ZINC000625347015	ref	1.05	-13.01	0	278.356	1.423	1	5	4	C[C@@H]1CCN(Cc2noc(C3CCC3)n2)[C@H](C(N)=O)C1
342084394	ZINC000608895704	ref	6.51	-25.68	0	292.291	1.454	0	7	5	CCOC(=O)c1c(C)oc2ncn(CC(=O)CC)c(=O)c12
342084395	ZINC000608915195	ref	6.84	-44.18	1	282.344	1.393	2	4	7	CC[C@H](C)[N@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C
342084396	ZINC000608915195	mid	6.86	-44.58	1	282.344	1.393	2	4	7	CC[C@H](C)[N@@H+](C)CCNC(=O)c1cc([N+](=O)[O-])cn1C
342084397	ZINC000625347324	ref	4.44	-23.28	0	298.346	1.503	2	4	2	Cc1nn(C)c(NC(=O)[C@@H]2CNC(=O)c3ccccc32)c1C
197599046	ZINC000290111979	ref	3.17	-48.05	1	273.279	1.791	1	3	6	CO[C@H]1COC[C@@H]1[NH2+]Cc1cccc(OC(F)F)c1
197599048	ZINC000290111979	high	1.95	-7.39	0	273.279	1.791	1	4	6	CO[C@H]1COC[C@@H]1NCc1cccc(OC(F)F)c1
214178343	ZINC000278476931	ref	0.88	-13.91	0	308.304	1.484	3	4	6	CC[C@H](O)CCNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F
365625193	ZINC000641591539	ref	2.57	-12.81	0	284.381	1.141	1	4	8	CCOCCS(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
365625202	ZINC000641591799	ref	3.29	-14.98	0	278.331	1.602	1	3	2	CC(C)N1C(=O)N[C@@H]2CN(c3ccncc3F)CC[C@@H]21
365625209	ZINC000641591799	low	3.76	-50.84	1	278.331	1.602	1	2	2	CC(C)N1C(=O)N[C@@H]2CN(c3cc[nH+]cc3F)CC[C@@H]21
365625215	ZINC000641592099	ref	2.51	-9.95	0	286.339	1.041	1	6	3	Cn1cc([C@H]2CCCCN2c2cc(C(N)=O)ncn2)cn1
230740146	ZINC000450459351	ref	3.31	-9.89	0	311.179	1.684	2	2	2	Cc1cc(C)c(C(=O)N[C@@H]2CNC(=O)C2)cc1Br
230740149	ZINC000450457075	ref	3.39	-27.66	0	301.14	1.237	3	3	3	O=C(Nc1c[nH]cc(Br)c1=O)[C@H](O)C1CCC1
365625223	ZINC000641591739	ref	2.48	-9.69	0	286.397	1.611	0	4	2	Cc1cc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c(C)o1
365625231	ZINC000641591739	low	4.8	-45.48	1	286.397	1.611	1	3	2	Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c(C)o1
282120824	ZINC000248958500	ref	3.08	-11.33	0	320.433	1.555	2	4	8	CCC[C@]1(C)C(=O)NCCN1C[C@@H](O)COCc1ccccc1
282120827	ZINC000248958500	mid	4.67	-44.73	1	320.433	1.555	3	3	8	CCC[C@]1(C)C(=O)NCC[N@H+]1C[C@@H](O)COCc1ccccc1
290009806	ZINC000551593879	ref	5.62	-12.82	0	253.346	1.236	0	4	6	COC(C)(C)CN(C)C(=O)CCc1ccn(C)n1
365625236	ZINC000641591739	low	4.66	-45.02	1	286.397	1.611	1	3	2	Cc1cc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c(C)o1
342599473	ZINC000590832051	ref	6.5	-16.82	0	275.356	1.738	1	4	3	CCn1ccnc1CNC(=O)N1CCC[C@@](C)(C#N)C1
342599474	ZINC000590832051	low	7.08	-38.61	1	275.356	1.738	1	3	3	CCn1cc[nH+]c1CNC(=O)N1CCC[C@@](C)(C#N)C1
365625242	ZINC000641591623	ref	3.43	-7.17	0	291.461	1.379	0	3	6	CCCN(CCC)S(=O)(=O)N1CCN(C)C(C)(C)C1
365625244	ZINC000641591623	mid	5.6	-41.46	1	291.461	1.379	1	2	6	CCCN(CCC)S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365625252	ZINC000641591623	mid	5.28	-43.2	1	291.461	1.379	1	2	6	CCCN(CCC)S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365625259	ZINC000641592115	ref	4.47	-17.16	0	262.338	1.316	2	5	2	C[C@@H]1CSC[C@H]1Nc1ccc2nc[nH]c(=O)c2n1
259308856	ZINC000517750892	ref	9.6	-28.64	0	245.322	2.682	1	2	5	O=C([O-])C[N@H+](Cc1ccccc1)[C@H]1C=CCCC1
365625265	ZINC000641592215	ref	4.12	-17.27	0	297.305	1.291	1	4	4	O=C(Cn1nc(C(F)F)cc1C1CC1)N1C[C@@H]2C[C@]2(O)C1
214178344	ZINC000278477143	ref	6.53	-6.67	0	309.331	3.325	2	2	7	O[C@H](CN[C@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
214178347	ZINC000278477143	low	7.54	-43.91	1	309.331	3.325	2	1	7	O[C@H](C[NH2+][C@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
214178348	ZINC000278478266	ref	4.22	-8.57	0	318.373	1.731	2	4	5	C=CCOc1cccc(NC(=O)C(=O)N[C@@H]2CCOC[C@@H]2C)c1
343994565	ZINC000248548788	ref	6.98	-38.25	1	295.427	1.234	2	2	5	C[C@H]1CCCC[N@@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1
343994574	ZINC000248548788	mid	7.03	-36.33	1	295.427	1.234	2	2	5	C[C@H]1CCCC[N@H+]([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1
214178355	ZINC000278476136	ref	5.22	-7.68	0	306.225	2.942	1	3	5	COC(C)(C)CC(=O)NCc1csc(Br)c1
342084398	ZINC000608906878	ref	6.14	-10.39	0	264.325	1.657	1	3	2	COC(=O)[C@H]1CCCN(C(=O)c2cc(C)[nH]c2C)C1
214178360	ZINC000278476195	ref	8.56	-9.92	0	320.443	1.732	1	6	4	O=C(NCc1ncnn1-c1ccccc1)[C@@H]1CSCCS1
214178363	ZINC000278478027	ref	10.57	-8.59	0	324.428	3.41	1	4	4	CC1(C)CCC(=CC(=O)NCc2ncnn2-c2ccccc2)CC1
365625200	ZINC000625044858	high	4.38	-45.93	-1	307.387	2.447	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCSC2)c(F)c1F
365625206	ZINC000625042377	ref	4.61	-13.07	0	318.421	2.171	0	5	4	O=C(C1CCN(Cc2noc(C3CCC3)n2)CC1)N1CCCC1
214178366	ZINC000278477395	ref	4.63	-12.47	0	304.228	2.196	3	5	4	C[C@](O)(CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F
214178368	ZINC000278477665	ref	3.19	-11.67	0	312.753	2.425	2	4	4	COC(C)(C)CC(=O)Nc1cc2c(cc1Cl)NC(=O)CO2
214178372	ZINC000278477592	ref	3.3	-21.99	0	323.386	1.354	0	3	2	C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[S@@](=O)C1
214178375	ZINC000278476802	ref	8.24	-12.69	0	323.433	3.098	1	3	4	CSCC[C@@H](O)C(=O)N1CC2(CCCC2)c2cccc(F)c21
214178378	ZINC000278477995	ref	8.36	-12.55	0	303.406	2.747	1	4	4	CC1(C)CCc2nc(NC(=O)CC[C@@H]3CCOC3)ncc2C1
214178380	ZINC000278476867	ref	3.4	-7.34	0	318.295	2.178	1	4	4	C[C@H]1COCC[C@H]1NC(=O)c1cccc(OCC(F)(F)F)n1
214178383	ZINC000278476982	ref	8.67	-14.61	0	309.381	3.256	0	3	6	CCC[C@@]1(COC)CCCN1C(=O)c1ccc(OC)c(F)c1
214178386	ZINC000278477118	ref	5.0	-10.84	0	313.737	2.453	1	5	5	COC(=O)NCCCC(=O)O[C@@H]1COc2cc(Cl)ccc21
214178389	ZINC000278477493	ref	4.33	-8.74	0	323.271	2.474	1	6	9	COCCOCCCNc1cc(C(F)(F)F)ncc1[N+](=O)[O-]
214178393	ZINC000278477093	ref	7.64	-42.66	1	308.403	3.177	1	5	7	COC(=O)CC[N@H+](Cc1cnc(-c2ccco2)s1)C(C)C
185090802	ZINC000096081345	ref	5.78	-14.68	0	297.318	0.825	1	4	2	O=C(c1c[nH]cn1)N1CC[C@H]2[C@@H]1CC(=O)N2c1cccnc1
342084399	ZINC000616407619	ref	4.86	-11.11	0	287.306	1.39	1	3	4	O=C(CNC(=O)[C@@H]1[C@H]2COC[C@H]21)C1CCC(F)(F)CC1
185090803	ZINC000096081345	mid	5.53	-17.66	0	297.318	0.825	1	4	2	O=C(c1cnc[nH]1)N1CC[C@H]2[C@@H]1CC(=O)N2c1cccnc1
342084400	ZINC000625347003	ref	5.23	-7.7	0	279.311	1.624	0	3	2	CN(C(=O)[C@@H]1COc2cc(F)ccc2C1)[C@@H]1CCOC1
342084401	ZINC000608897282	ref	4.44	-10.89	0	271.338	1.505	1	5	7	COCCC(=O)N[C@@H](CC(=O)OC)c1cccs1
343994569	ZINC000139359140	ref	5.04	-31.02	1	171.284	1.753	1	1	3	CC[C@H](C(C)C)[NH+]1CCOCC1
342084402	ZINC000608912707	ref	1.14	-15.54	0	296.396	1.9	4	3	6	CSCCNC(=O)N[C@@H](C)c1ccc(NC(N)=O)cc1
365625203	ZINC000379911104	mid	8.29	-41.53	1	206.333	2.967	1	1	3	C[C@H](C#N)C[N@@H+](C)[C@H]1C=CCCCCC1
365625210	ZINC000379911104	mid	6.28	-6.37	0	206.333	2.967	0	2	3	C[C@H](C#N)CN(C)[C@H]1C=CCCCCC1
342084403	ZINC000625347002	ref	5.16	-7.74	0	279.311	1.624	0	3	2	CN(C(=O)[C@H]1COc2cc(F)ccc2C1)[C@@H]1CCOC1
342084404	ZINC000625347530	ref	7.46	-47.49	1	288.391	1.579	1	2	3	CN(C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1
185090807	ZINC000096080712	ref	8.48	-53.04	1	294.358	1.571	1	3	3	O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2CN1c1cncnc1
185090808	ZINC000096080712	mid	8.58	-52.38	1	294.358	1.571	1	3	3	O=C1[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2CN1c1cncnc1
185090811	ZINC000096081184	ref	5.12	-17.59	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1occc1C
342084405	ZINC000625347530	mid	7.34	-45.86	1	288.391	1.579	1	2	3	CN(C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1
346818971	ZINC000067771110	ref	6.28	-9.44	0	289.404	2.99	0	4	4	CCc1nc(CN(C)C(=O)c2ccc(C)nc2C)cs1
342084406	ZINC000616407601	ref	3.8	-13.69	0	271.267	1.534	2	3	4	O=C(NCC(=O)C1CCC(F)(F)CC1)c1ncc[nH]1
185090815	ZINC000096081137	ref	3.44	-16.8	0	274.32	0.727	1	3	3	COc1cccc(CC(=O)N2CC[C@H]3NC(=O)C[C@@H]32)c1
342088563	ZINC000121525608	ref	5.47	-6.2	0	261.325	1.472	1	4	3	Cc1cc(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)ncn1
398247177	ZINC000649444393	ref	5.66	-8.3	0	244.338	2.709	1	3	3	Cc1c(-c2ccc(CC(C)(C)O)cc2)cnn1C
185090816	ZINC000096081965	ref	5.45	-12.84	0	258.325	0.947	0	4	3	C=CCN1CC[C@@H]2CN(c3cnccn3)C[C@@H]2C1=O
343994573	ZINC000139359140	high	2.49	-1.59	0	171.284	1.753	0	2	3	CC[C@H](C(C)C)N1CCOCC1
365625204	ZINC000274323882	mid	5.07	-33.83	1	281.375	1.763	1	3	6	CC[C@H]1CN(Cc2cncc(F)c2)CC[N@H+]1CCOC
398247179	ZINC000649444530	ref	5.47	-10.77	0	241.294	2.28	1	3	1	Cc1c(-c2ccc3c(c2)CCC(=O)N3)cnn1C
398247181	ZINC000649444523	ref	2.42	-9.19	0	203.245	1.283	1	4	2	Cc1c(-c2cccc(CO)n2)cnn1C
398247184	ZINC000649444519	ref	5.55	-7.99	0	233.311	2.486	1	2	6	C=C(C)c1ccc(C(=O)NCCOCC)cc1
136228676	ZINC000283923899	low	4.87	-32.9	1	246.314	0.258	0	3	1	CC#CC(=O)N1CCN(C)[C@@H](c2[nH+]ccn2C)C1
365625211	ZINC000274323882	mid	2.71	-4.22	0	281.375	1.763	0	4	6	CC[C@H]1CN(Cc2cncc(F)c2)CCN1CCOC
136228677	ZINC000283935575	ref	2.0	-9.82	0	222.288	-0.009	1	3	3	CC#CC(=O)NCC1(N2CCOCC2)CC1
398247187	ZINC000649444363	ref	3.93	-6.9	0	230.193	2.137	1	3	1	Cc1c(-c2cc(C(F)(F)F)[nH]n2)cnn1C
365625220	ZINC000274324135	ref	8.08	-27.0	0	276.296	1.013	1	6	5	COc1ccc(CC(=O)Nc2nncn2C)cc1OC
398247191	ZINC000649444363	mid	3.82	-8.16	0	230.193	2.137	1	3	1	Cc1c(-c2cc(C(F)(F)F)n[nH]2)cnn1C
398247194	ZINC000649444494	ref	3.68	-6.18	0	230.193	2.312	1	3	2	CCn1nccc1-c1cc(C(F)(F)F)[nH]n1
365625232	ZINC000274324920	ref	5.41	-12.29	0	293.754	1.941	1	4	5	COc1cccc(Cl)c1CC(=O)NCc1nccn1C
398247196	ZINC000649444494	mid	3.71	-6.65	0	230.193	2.312	1	3	2	CCn1nccc1-c1cc(C(F)(F)F)n[nH]1
342599475	ZINC000590832217	ref	4.25	-17.88	0	295.383	1.373	1	4	3	CO[C@@H]1COCC[C@H]1CNC(=O)N1CCC[C@](C)(C#N)C1
342599476	ZINC000590840209	ref	0.18	-12.97	0	264.329	1.033	1	5	4	C[C@H]1CC[C@H](C(N)=O)CN1Cc1nc(C2CC2)no1
365625240	ZINC000274324920	low	5.93	-35.45	1	293.754	1.941	1	3	5	COc1cccc(Cl)c1CC(=O)NCc1[nH+]ccn1C
365625251	ZINC000274323943	ref	7.48	-36.5	1	275.352	1.813	1	4	3	COC(=O)[C@H]1CC12CC[NH+]([C@@H](C)c1cnccn1)CC2
342599477	ZINC000590840209	mid	2.54	-43.0	1	264.329	1.033	2	4	4	C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1nc(C2CC2)no1
365625258	ZINC000274323943	mid	5.35	-8.0	0	275.352	1.813	0	5	3	COC(=O)[C@H]1CC12CCN([C@@H](C)c1cnccn1)CC2
365625263	ZINC000274324371	ref	3.77	-12.31	0	285.303	1.739	1	5	3	COc1ccc2c(c1)[C@@H](NC(=O)c1cncnc1)CCO2
365625271	ZINC000274324770	ref	1.82	-11.67	0	275.312	1.494	2	5	5	CN(C)[C@H](CNC(=O)Nc1cncnc1)c1ccco1
166172986	ZINC000045820428	ref	4.13	-38.01	1	182.267	0.773	1	1	3	C=CCN(C(C)=O)C1CC[NH2+]CC1
398247200	ZINC000649444484	ref	5.48	-11.61	0	241.294	2.28	1	3	1	Cc1c(-c2ccc3c(c2)NC(=O)CC3)cnn1C
342084407	ZINC000608908503	ref	5.79	-48.27	1	298.262	1.756	2	5	4	O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc([N+](=O)[O-])[nH]1
178294873	ZINC000082790203	ref	2.36	-53.15	1	292.198	1.818	1	2	4	C[C@@H](C[NH3+])CS(=O)(=O)c1ccccc1Br
342084408	ZINC000608908503	high	4.87	-33.3	-1	298.262	1.756	1	6	4	O=C(Nc1cnn(-c2ccncc2)c1)c1ccc([N+](=O)[O-])[n-]1
185090819	ZINC000096081281	ref	0.26	-11.31	0	282.325	-0.654	1	6	3	O=C1C[C@@H]2[C@H](CCN2C(=O)c2csnn2)N1CCO
365625214	ZINC000625042877	ref	7.44	-18.62	0	319.449	2.362	1	2	2	C[C@@H]1CC[C@]2(CCN(C(=O)N[C@H]3CCN(C4CCC4)C3=O)C2)C1
342084409	ZINC000625348096	ref	5.38	-6.79	0	296.383	1.796	0	2	4	C[C@@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@@H](C)C1(F)F
185090820	ZINC000096079405	ref	9.42	-47.88	1	286.419	2.882	1	1	1	CC(=O)N1CCC2(CC1)C[C@H]([NH+](C)C)c1ccc(C)cc12
178294879	ZINC000082790198	ref	2.37	-52.05	1	292.198	1.962	1	2	5	[NH3+]CCCCS(=O)(=O)c1ccccc1Br
168365381	ZINC000368508874	mid	6.2	-9.39	0	341.48	3.265	2	4	5	Cc1ccc(-c2csc(CN[C@@H]3CCC(=O)N[C@H]3C3CC3)n2)cc1
214178349	ZINC000293494737	ref	0.24	-9.05	0	367.187	0.542	2	5	6	COCC[C@@](C)(O)CNC(=O)c1cnn(C)c1I
178294882	ZINC000082790075	ref	3.73	-40.03	1	261.369	0.959	2	3	3	Nc1cccc2c1C[N@H+](CCN1CCOCC1)CC2
178294883	ZINC000082790075	mid	3.75	-40.15	1	261.369	0.959	2	3	3	Nc1cccc2c1C[N@@H+](CCN1CCOCC1)CC2
185090822	ZINC000096081157	ref	3.02	-14.92	0	294.376	0.9	1	3	3	CCc1ccc(S(=O)(=O)N2CC[C@@H]3NC(=O)C[C@@H]32)cc1
299072454	ZINC000354603840	ref	1.95	-17.15	0	346.84	0.736	1	4	4	CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)c2ncccc2Cl)C1
178294885	ZINC000082790075	high	1.13	-4.66	0	261.369	0.959	1	4	3	Nc1cccc2c1CN(CCN1CCOCC1)CC2
299072459	ZINC000354605716	ref	-0.75	-22.82	0	340.511	0.603	1	5	8	C[C@H]1CCC[C@@H](C)N1CCNS(=O)(=O)CCCS(C)(=O)=O
342084410	ZINC000608908414	ref	6.49	-14.84	0	257.33	1.213	0	4	5	CCO[C@H](CC)C(=O)N1CCC[C@@H](C(=O)OC)C1
365625222	ZINC000625042992	ref	5.24	-9.58	0	319.467	2.022	0	4	11	CCCCCOC1CN(S(=O)(=O)C[C@@H](OCC)C2CC2)C1
214178353	ZINC000293504606	ref	5.08	-10.2	0	362.386	0.315	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@]2(CCCO2)[C@@H]1C1CC1
342084411	ZINC000608909516	ref	6.3	-14.69	0	279.325	1.983	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1ccsc1[N+](=O)[O-])CC2
342084412	ZINC000625347626	ref	5.04	-41.31	1	276.38	1.566	3	2	4	C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](O)[C@H](C)C1)c1ccccc1
185090829	ZINC000096081135	ref	3.72	-15.37	0	250.323	0.78	1	3	2	O=C1C[C@@H]2[C@@H](CCN2C(=O)Cc2cccs2)N1
349533523	ZINC000093241344	ref	4.28	-12.02	0	259.313	0.301	0	6	2	Cc1cccnc1CN1CCn2c(nn(C)c2=O)C1
365625217	ZINC000172838151	mid	6.69	-41.36	1	291.395	1.63	2	2	4	Cc1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c(=O)[nH]1
349533524	ZINC000093256734	ref	5.55	-37.7	1	253.39	0.738	1	2	2	C[C@H]1CC[N@H+](CC(=O)N2CCN(C)CC2)C[C@@H]1C
349533525	ZINC000093256734	mid	5.43	-36.96	1	253.39	0.738	1	2	2	C[C@H]1CC[N@@H+](CC(=O)N2CCN(C)CC2)C[C@@H]1C
282120830	ZINC000248958500	mid	4.19	-42.25	1	320.433	1.555	3	3	8	CCC[C@]1(C)C(=O)NCC[N@@H+]1C[C@@H](O)COCc1ccccc1
349533526	ZINC000093256734	low	7.9	-95.24	2	253.39	0.738	2	1	2	C[C@H]1CC[N@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C
349533527	ZINC000093256734	low	7.78	-94.58	2	253.39	0.738	2	1	2	C[C@H]1CC[N@@H+](CC(=O)N2CC[NH+](C)CC2)C[C@@H]1C
282120832	ZINC000248956124	ref	3.43	-11.84	0	302.415	1.934	2	4	7	COC[C@H](C)CNC(=O)[C@H](C)[C@H](C)NC(=O)OC(C)(C)C
282123579	ZINC000533474254	ref	4.5	-7.54	0	277.368	1.833	1	4	3	CC(C)c1ncncc1C(=O)N1CCC[C@@H]([C@H](C)O)C1
342599478	ZINC000590840209	mid	2.73	-38.17	1	264.329	1.033	2	4	4	C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1nc(C2CC2)no1
342599479	ZINC000616994224	ref	5.78	-37.89	1	290.411	1.749	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1
197599063	ZINC000290112456	ref	1.1	-50.22	1	265.313	0.267	3	3	5	CNC(=O)c1cc(C)ccc1NC(=O)[C@@H](C[NH3+])OC
398247186	ZINC000390756817	mid	7.01	-106.78	2	228.405	1.669	2	1	3	CC(C)[C@H]1C[N@@H+](C[C@@H]2CC[NH2+]C2)CCS1
197599064	ZINC000290112456	high	0.7	-11.54	0	265.313	0.267	3	4	5	CNC(=O)c1cc(C)ccc1NC(=O)[C@@H](CN)OC
365625225	ZINC000643087938	ref	6.29	-11.69	0	294.399	1.696	0	6	5	COCc1nnc(N2C[C@H](C)C[C@@H]2C)n1C[C@H]1CCOC1
398247189	ZINC000390756817	high	5.02	-40.14	1	228.405	1.669	1	2	3	CC(C)[C@H]1CN(C[C@@H]2CC[NH2+]C2)CCS1
342599480	ZINC000616994224	mid	5.76	-37.46	1	290.411	1.749	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2n[nH]c3c2CCC3)C1
365625234	ZINC000158196623	ref	3.1	-55.47	1	298.293	1.438	1	5	7	COc1cc(Cn2cc(CC[NH3+])nn2)ccc1OC(F)F
398247193	ZINC000313438849	ref	5.16	-6.15	0	235.331	2.404	1	4	6	Cc1nccnc1NCCOCC1CCCC1
178305655	ZINC000001648720	ref	7.83	-8.06	0	230.311	3.352	0	3	1	Cc1cc2ncn([C@H]3CCCCO3)c2cc1C
365625250	ZINC000172836159	ref	2.66	-13.67	0	296.754	1.36	2	3	5	C[C@H](CNC(=O)[C@@H]1CNC(=O)C1)Oc1cccc(Cl)c1
398247198	ZINC000390757123	ref	6.27	-5.24	0	239.344	2.1	1	5	3	COc1cc(C)nc(N[C@H]2CCS[C@H]2C)n1
342599481	ZINC000616994224	mid	5.84	-41.15	1	290.411	1.749	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CCC3)C1
342599482	ZINC000616994224	mid	5.81	-40.74	1	290.411	1.749	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2CCC3)C1
365625218	ZINC000576558189	ref	5.32	-7.63	0	203.245	2.199	0	4	2	C[C@@H]1C[C@H]1c1noc(-c2cccn2C)n1
365625230	ZINC000576558847	ref	6.13	-7.18	0	217.316	2.493	0	3	2	CC1(C2CC2)CCN(c2cccnn2)CC1
185090831	ZINC000096081810	ref	5.47	-12.63	0	299.33	1.404	0	5	2	O=C(c1ccco1)N1CCO[C@H]2CN(c3ccccn3)C[C@H]21
412491655	ZINC000426406031	mid	5.66	-38.78	1	319.369	-0.165	2	8	7	COCCn1cnnc1CNc1cc([C@H]2CCOC2)[nH+]c(N)n1
365625255	ZINC000576556953	ref	0.29	-9.66	0	237.25	0.465	3	2	5	CC(C)NC(=O)CNC(=O)NCC(C)(F)F
365625264	ZINC000576563318	ref	3.12	-9.57	0	238.316	1.848	2	4	2	O=C(Nc1cnns1)N[C@H]1CCC[C@@H]2C[C@H]12
185090832	ZINC000096081810	low	5.92	-33.19	1	299.33	1.404	0	4	2	O=C(c1ccco1)N1CCO[C@H]2CN(c3cccc[nH+]3)C[C@H]21
342599483	ZINC000616994087	ref	5.24	-36.93	1	291.395	1.946	3	2	3	Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(=O)[nH]1
342599484	ZINC000616994087	mid	5.28	-37.3	1	291.395	1.946	3	2	3	Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(=O)[nH]1
214178350	ZINC000053366436	ref	5.76	-14.94	0	339.867	2.825	2	3	9	CCCNC(=O)CN(CCC)CC(=O)Nc1ccc(Cl)cc1C
185090834	ZINC000096080739	ref	8.06	-44.11	1	288.391	1.532	1	2	5	COCC[N@@H+]1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1
342599485	ZINC000111335360	ref	6.0	-16.82	0	256.371	1.74	0	3	7	CN(C(C1CC1)C1CC1)S(=O)(=O)CCCC#N
342599486	ZINC000590832315	ref	7.27	-18.04	0	274.324	1.915	1	4	2	CC1(c2cc(NC(=O)N3CC(C#N)C3)no2)CCCC1
365638878	ZINC000274370893	low	5.3	-39.99	1	263.316	1.464	2	2	4	O=C(NC1CC1)[C@H]1CCC[N@H+]1Cc1cncc(F)c1
365638880	ZINC000274370893	low	5.79	-43.1	1	263.316	1.464	2	2	4	O=C(NC1CC1)[C@H]1CCC[N@@H+]1Cc1cncc(F)c1
365638883	ZINC000274369766	ref	3.8	-15.68	0	299.348	1.039	1	5	6	CCC(=O)CNS(=O)(=O)c1cc(C(=O)OC)ccc1C
365638886	ZINC000274371055	ref	4.39	-11.35	0	263.293	1.557	1	4	4	CCC(=O)CNC(=O)c1ccc2c(c1)OCCCO2
349533528	ZINC000093256734	high	3.36	-7.25	0	253.39	0.738	0	3	2	C[C@H]1CCN(CC(=O)N2CCN(C)CC2)C[C@@H]1C
178305658	ZINC000001648720	low	8.31	-25.48	1	230.311	3.352	0	2	1	Cc1cc2[nH+]cn([C@H]3CCCCO3)c2cc1C
365638889	ZINC000274369212	ref	3.69	-6.09	0	299.317	1.777	1	3	4	C[C@@H](O)C[C@@H]1COCCN1C(=O)C(F)(F)c1ccccc1
365639415	ZINC000336555889	low	8.21	-101.7	2	265.426	2.369	2	2	2	Cc1ncc(C[NH+]2CC[C@@]3(CCC[N@@H+](C)C3)C2)s1
178294884	ZINC000237044062	low	4.95	-86.84	2	352.504	1.022	3	4	6	CCc1nc(C[NH+]2CCC(CNC(=O)[C@H]3COCC[NH2+]3)CC2)cs1
178294886	ZINC000237051534	ref	3.54	-50.9	1	373.906	1.546	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
178294889	ZINC000237051534	high	3.21	-12.2	0	373.906	1.546	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1
178294890	ZINC000237041007	ref	8.37	-66.07	-1	361.373	1.702	1	4	4	CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cc2c(F)cccc2[nH]1
178294893	ZINC000237046302	ref	4.29	-49.13	1	359.517	1.46	1	4	6	CC[NH2+]CC1CCN(C(=O)c2sccc2S(=O)(=O)N(C)C)CC1
178294905	ZINC000237041894	ref	3.97	-56.02	-1	352.412	1.867	1	6	7	Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)N(C)C
398247201	ZINC000285167375	ref	2.15	-10.18	0	238.674	1.322	2	3	3	C[C@H](CO)NC(=O)c1cc(C#N)ccc1Cl
398247206	ZINC000390757119	ref	5.51	-5.08	0	239.344	2.1	1	5	3	COc1cc(C)nc(N[C@H]2CCS[C@@H]2C)n1
398247209	ZINC000076778157	ref	3.77	-8.83	0	245.373	2.325	2	4	4	CSC[C@H](C)NC(=O)Nc1nc(C)cs1
398247213	ZINC000097159568	ref	3.77	-47.7	1	236.344	1.815	2	3	5	Cc1csc(CC[NH2+]Cc2c[nH]nc2C)n1
398247217	ZINC000097159568	mid	3.81	-46.47	1	236.344	1.815	2	3	5	Cc1csc(CC[NH2+]Cc2cn[nH]c2C)n1
398247219	ZINC000097159568	high	2.4	-8.27	0	236.344	1.815	2	4	5	Cc1csc(CCNCc2c[nH]nc2C)n1
178294909	ZINC000237041894	low	5.94	-76.55	0	352.412	1.867	2	5	7	Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H](c1ccco1)[NH+](C)C
178294911	ZINC000237048163	ref	6.65	-63.45	-1	373.203	1.437	0	5	4	CN(CC(=O)N1CC[C@](C)(C(=O)[O-])C1)C(=O)c1ccc(Br)o1
398247222	ZINC000076776259	ref	7.36	-45.9	1	244.342	2.097	2	3	4	C[C@H]1CCC[N@H+](CCNc2ccc(C#N)cn2)C1
178294915	ZINC000237048099	ref	3.03	-61.07	1	353.488	1.718	2	3	7	CN(C1CCCCC1)S(=O)(=O)c1cccc(C(=O)NCCC[NH3+])c1
178294917	ZINC000237053290	ref	9.67	-54.94	1	357.454	1.765	1	3	5	C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1
398247226	ZINC000076776259	mid	7.35	-46.73	1	244.342	2.097	2	3	4	C[C@H]1CCC[N@@H+](CCNc2ccc(C#N)cn2)C1
398247228	ZINC000076776259	high	5.13	-5.66	0	244.342	2.097	1	4	4	C[C@H]1CCCN(CCNc2ccc(C#N)cn2)C1
349533529	ZINC000093254930	ref	1.77	-62.29	1	278.418	0.643	1	3	8	CC[C@H](C)CN(CC)C(=O)[C@H]([NH3+])CCS(C)(=O)=O
398247232	ZINC000335865219	ref	4.19	-14.33	0	246.314	1.181	2	3	3	CC(C)(C#N)CNC(=O)[C@H]1CCc2c[nH]nc2C1
398247235	ZINC000076778047	ref	3.61	-13.8	0	231.346	2.016	2	4	4	CSC[C@H](C)NC(=O)Nc1nccs1
365625224	ZINC000122043373	mid	6.33	-36.3	1	282.428	2.181	2	2	5	CC(C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCOCC1
365625228	ZINC000122043373	high	4.62	-9.03	0	282.428	2.181	1	3	5	CC(C)C[C@H](C)NC(=O)[C@H]1CCCN1C1CCOCC1
342599487	ZINC000616995177	ref	5.19	-37.02	1	256.39	1.65	2	2	6	CCOCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
197599078	ZINC000290110620	ref	6.03	-45.08	1	297.786	1.637	1	3	3	Cc1noc(Cl)c1CCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1
185090837	ZINC000096080739	mid	8.35	-45.91	1	288.391	1.532	1	2	5	COCC[N@H+]1C[C@H]2CN(Cc3cccc(C)c3)C(=O)[C@H]2C1
365625237	ZINC000122060278	ref	6.81	-28.0	1	272.433	2.427	1	2	9	CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)CC(C)(C)OC
365625245	ZINC000122090810	ref	6.7	-13.29	0	288.395	2.094	0	4	3	CN(C(=O)C1CCCC1)[C@H]1CCCN(c2cccnn2)C1
282120834	ZINC000533446867	ref	4.91	-14.45	0	279.365	1.652	1	4	4	Cn1cnc2cc(S(=O)(=O)NCC3CCC3)ccc21
365625256	ZINC000122071945	ref	5.26	-53.24	1	272.732	2.356	2	3	6	CC(C)(CO)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl
282120838	ZINC000533445485	ref	4.12	-11.42	0	295.408	1.974	1	5	3	O=C(CN1CCC[C@]2(CCCOC2)C1)Nc1nccs1
365625267	ZINC000122071945	high	4.08	-8.11	0	272.732	2.356	2	4	6	CC(C)(CO)CNCc1ccc([N+](=O)[O-])cc1Cl
342599488	ZINC000616995177	mid	5.19	-37.59	1	256.39	1.65	2	2	6	CCOCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
282120839	ZINC000533445485	low	5.89	-41.69	1	295.408	1.974	2	4	3	O=C(C[N@@H+]1CCC[C@]2(CCCOC2)C1)Nc1nccs1
365625273	ZINC000122060866	ref	5.64	-10.12	0	254.374	2.122	2	2	2	C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@]1(C)CO
365625283	ZINC000121999313	ref	4.51	-6.4	0	270.38	2.349	1	3	3	Cc1cccc(N2CCN(Cc3c[nH]nc3C)CC2)c1
365625292	ZINC000121999313	mid	6.93	-42.76	1	270.38	2.349	2	2	3	Cc1cccc(N2CC[NH+](Cc3c[nH]nc3C)CC2)c1
282120840	ZINC000533445485	low	5.89	-41.99	1	295.408	1.974	2	4	3	O=C(C[N@H+]1CCC[C@]2(CCCOC2)C1)Nc1nccs1
197599082	ZINC000290113307	ref	6.16	-8.3	0	283.356	2.999	0	5	3	c1ccc2c(c1)CC(c1nc(Cc3cscn3)no1)C2
214178354	ZINC000053366436	low	7.73	-44.87	1	339.867	2.825	3	2	9	CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(Cl)cc1C
166172991	ZINC000040923820	ref	3.53	-42.14	1	184.283	1.147	1	1	4	C=CCN(C(=O)C(C)(C)[NH3+])C(C)C
323004231	ZINC000150966312	ref	5.56	-8.18	0	245.388	2.237	0	2	4	CC(C)C[C@H]1CCCN(S(=O)(=O)C2CC2)C1
342599489	ZINC000616995176	ref	5.19	-37.84	1	256.39	1.65	2	2	6	CCOCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599490	ZINC000616995176	mid	5.12	-37.52	1	256.39	1.65	2	2	6	CCOCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
282120835	ZINC000362582401	ref	3.58	-10.79	0	287.298	1.716	1	5	1	Cc1nc2n(n1)C[C@H](N=c1[nH]c3c(F)cccc3o1)CC2
282120843	ZINC000171103651	ref	6.47	-14.11	0	349.394	1.809	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc3ccccc3c1)CC2
282120848	ZINC000341640551	ref	4.97	-43.4	1	348.451	-0.138	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)CC2
185090858	ZINC000096080873	ref	7.18	-53.91	1	273.38	1.628	1	2	3	CC(C)C(=O)N1C[C@@H]2C[NH+](Cc3cccnc3)C[C@H]2C1
136228678	ZINC000283935575	low	4.21	-40.53	1	222.288	-0.009	2	2	3	CC#CC(=O)NCC1([NH+]2CCOCC2)CC1
342084413	ZINC000625347626	mid	5.11	-35.98	1	276.38	1.566	3	2	4	C[C@@H](NC(=O)C[N@H+]1CC[C@@H](O)[C@H](C)C1)c1ccccc1
136228679	ZINC000283941123	ref	3.7	-10.38	0	233.271	1.265	2	3	2	CC#CC(=O)Nc1cc([C@H]2CCCOC2)[nH]n1
398247202	ZINC000381279471	ref	3.43	-37.66	1	230.352	1.162	2	2	8	CCNC(=O)[C@H](C)[NH2+]C[C@H](OC)[C@H](C)CC
136228680	ZINC000283931994	ref	6.03	-8.26	0	221.687	2.288	1	1	2	CC#CC(=O)NCc1ccc(Cl)c(C)c1
282120855	ZINC000341640551	mid	4.93	-43.61	1	348.451	-0.138	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)CC2
342084414	ZINC000625347626	mid	2.9	-10.28	0	276.38	1.566	2	3	4	C[C@@H](NC(=O)CN1CC[C@@H](O)[C@H](C)C1)c1ccccc1
136228681	ZINC000283956370	ref	5.23	-8.46	0	221.222	2.103	1	1	3	CC#CC(=O)N[C@@H]([C@@H](C)CC)C(F)(F)F
342084415	ZINC000625347986	ref	5.11	-14.81	0	293.758	1.437	0	6	3	Cn1cnnc1[C@H]1CN(Cc2ncccc2Cl)CCO1
185090860	ZINC000096080873	high	4.59	-10.96	0	273.38	1.628	0	3	3	CC(C)C(=O)N1C[C@@H]2CN(Cc3cccnc3)C[C@H]2C1
282120857	ZINC000341640551	high	2.48	-11.98	0	348.451	-0.138	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)CC2
342084416	ZINC000608908666	ref	6.35	-8.55	0	279.258	1.74	0	3	2	COC(=O)[C@H]1CCCN(C(=O)C2(C(F)(F)F)CC2)C1
342084417	ZINC000625347585	ref	4.29	-12.9	0	273.32	1.899	0	2	4	C[C@H]1CN(S(=O)(=O)CCCF)C[C@@H](C)C1(F)F
342084418	ZINC000616407758	ref	7.86	-47.14	1	293.411	1.495	2	3	8	COCC[N@@H+]1CCC[C@@H](NC(=O)CCCn2cccc2)C1
342084419	ZINC000616407758	mid	7.31	-46.7	1	293.411	1.495	2	3	8	COCC[N@H+]1CCC[C@@H](NC(=O)CCCn2cccc2)C1
230235086	ZINC000336834376	mid	-1.77	-46.78	1	286.332	-1.467	5	4	4	CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1
136228682	ZINC000283932239	ref	4.07	-9.99	0	213.277	0.521	0	3	7	CC#CC(=O)N(C)CCOCCCOC
136228683	ZINC000283927757	ref	4.94	-12.33	0	209.245	0.216	0	3	2	CC#CC(=O)N1CCOC[C@H]1CC(C)=O
230235090	ZINC000336834376	mid	-4.08	-26.48	0	286.332	-1.467	4	5	4	CCNC(=O)NC(=O)[C@@H](C)N1CCC[C@@](O)(C(N)=O)C1
349533530	ZINC000093254930	mid	1.48	-16.26	0	278.418	0.643	1	4	8	CC[C@H](C)CN(CC)C(=O)[C@H](N)CCS(C)(=O)=O
365625226	ZINC000354685081	ref	1.91	-11.85	0	258.362	1.215	2	3	6	C[C@@H](CO)CCCNC(=O)N(C)[C@H]1CCCOC1
342084420	ZINC000616407758	high	5.0	-14.45	0	293.411	1.495	1	4	8	COCCN1CCC[C@@H](NC(=O)CCCn2cccc2)C1
398247204	ZINC000650864937	mid	4.13	-37.62	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@H]1CCCC[N@H+]1CC
342084421	ZINC000625347620	ref	3.6	-11.71	0	297.367	1.576	0	3	3	C[C@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H](C)C1(F)F
342084422	ZINC000625347588	ref	3.64	-7.39	0	270.345	1.406	0	2	3	CCN(C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
398247207	ZINC000650864937	high	2.47	-5.84	0	299.459	1.957	3	3	8	CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@H]1CCCCN1CC
398247210	ZINC000650864871	ref	6.13	-36.98	1	297.443	1.975	3	2	8	CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)COCC1CC1
365625233	ZINC000354685770	ref	1.63	-8.16	0	289.339	1.816	2	5	4	Cc1cncc(CNC(=O)NC(C)(C)c2nc(C)no2)c1
365625241	ZINC000354686476	ref	2.93	-8.02	0	278.308	1.415	2	5	6	C/C=C/C[C@H](NC(=O)c1cncc(O)c1)C(=O)OCC
365625247	ZINC000354686476	mid	3.68	-43.48	-1	278.308	1.415	1	5	6	C/C=C/C[C@H](NC(=O)c1cncc([O-])c1)C(=O)OCC
365625254	ZINC000354685284	ref	5.21	-9.52	0	283.368	1.509	1	4	4	COC(=O)C1(CNC(=O)C2CC(C)(C)C2)CCOCC1
365625260	ZINC000354685488	ref	3.77	-14.77	0	297.443	1.67	2	3	7	CCC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](NC(=O)CC)C1
365625266	ZINC000354685488	mid	6.5	-43.79	1	297.443	1.67	3	2	7	CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC)C1
342084423	ZINC000616407757	ref	7.32	-46.69	1	293.411	1.495	2	3	8	COCC[N@@H+]1CCC[C@H](NC(=O)CCCn2cccc2)C1
398247214	ZINC000650864871	mid	6.66	-36.73	1	297.443	1.975	3	2	8	CC[N@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)COCC1CC1
342084424	ZINC000616407757	mid	7.84	-47.43	1	293.411	1.495	2	3	8	COCC[N@H+]1CCC[C@H](NC(=O)CCCn2cccc2)C1
342084425	ZINC000616407757	high	5.03	-12.35	0	293.411	1.495	1	4	8	COCCN1CCC[C@H](NC(=O)CCCn2cccc2)C1
365625272	ZINC000354685488	mid	5.96	-45.06	1	297.443	1.67	3	2	7	CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC)C1
349533531	ZINC000093235029	ref	5.09	-44.99	1	279.34	0.754	2	4	7	COC(=O)CNC(=O)CC[N@H+](C)[C@@H](C)c1cccnc1
365625280	ZINC000354684783	ref	3.58	-4.99	0	296.411	1.613	2	3	3	C[C@H]1OCC[C@@H]1NC(=O)C(=O)NCC1CCC(C)(C)CC1
342600643	ZINC000401680490	ref	2.8	-5.92	0	273.373	1.192	1	5	7	CCC[C@@H](C(=O)OCC)N1CCC[C@](CO)(OC)C1
398247205	ZINC000381279471	high	2.17	-7.03	0	230.352	1.162	2	3	8	CCNC(=O)[C@H](C)NC[C@H](OC)[C@H](C)CC
398247208	ZINC000649444369	ref	4.9	-5.42	0	217.268	2.748	1	2	1	C=C(C)c1cc2c(cc1C)O[C@H](C)C(=O)N2
398247211	ZINC000381281346	ref	-2.83	-100.92	2	215.297	-1.19	4	2	5	CCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]C[C@H]1O
342599491	ZINC000616993998	ref	6.72	-41.0	1	292.427	1.589	2	3	5	Cn1cc(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342599492	ZINC000616993998	mid	6.72	-41.52	1	292.427	1.589	2	3	5	Cn1cc(CCC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
398247212	ZINC000381281346	high	-3.17	-51.33	1	215.297	-1.19	4	3	5	CCC[C@H](N)C(=O)NC[C@H]1C[NH2+]C[C@H]1O
398247215	ZINC000649444407	ref	7.09	-3.62	0	202.297	3.033	1	1	4	C=C(C)c1ccc(C[C@H](O)C2CC2)cc1
342599493	ZINC000590832619	ref	6.06	-15.77	0	298.339	1.391	1	5	9	CCOC(=O)COCCNC(=O)N(CC)Cc1ccoc1
342599494	ZINC000590832052	ref	6.51	-19.25	0	275.356	1.738	1	4	3	CCn1ccnc1CNC(=O)N1CCC[C@](C)(C#N)C1
342599495	ZINC000590832052	low	7.11	-39.11	1	275.356	1.738	1	3	3	CCn1cc[nH+]c1CNC(=O)N1CCC[C@](C)(C#N)C1
342599496	ZINC000616995182	ref	5.85	-43.72	1	298.427	1.419	2	3	6	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COC[C@H]2CCCO2)C1
342599497	ZINC000616995182	mid	5.9	-44.25	1	298.427	1.419	2	3	6	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)COC[C@H]2CCCO2)C1
398247218	ZINC000649444485	ref	3.06	-8.49	0	225.313	1.936	1	2	3	C=C(C)c1ccc(S(=O)(=O)NC)cc1C
398247221	ZINC000381279861	ref	2.79	-34.27	1	217.353	1.796	2	2	7	CC[C@H](C)[C@H](C[NH2+][C@H](C)C(C)(C)O)OC
342599498	ZINC000590832239	ref	6.62	-10.05	0	298.383	1.705	1	4	4	CC/C=C/CNC(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1
342599499	ZINC000063116138	ref	6.4	-47.75	1	263.341	1.187	2	3	4	Cc1noc(C)c1CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1
168365382	ZINC000368503875	ref	6.93	-8.4	0	338.492	3.328	1	3	2	CC1(CNC(=O)N2CCOC3(CCOCC3)CC2)CCCCCC1
282120837	ZINC000423042709	ref	6.01	-108.88	2	256.39	1.553	2	2	7	CCC(CC)(C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)C(=O)OC
168365384	ZINC000368502999	ref	3.62	-8.42	0	344.411	3.143	3	4	5	Cc1cc(C)c2c(c1)[C@H](NC(=O)N[C@H](CCO)c1ccco1)CCO2
398247224	ZINC000649444444	ref	7.13	-7.49	0	230.311	3.183	0	3	3	Cc1c(-c2ccc(OC(C)C)cc2)cnn1C
212171853	ZINC000335494048	ref	5.71	-9.14	0	284.762	3.392	2	2	3	CNc1ccc(Cl)c(C(=O)N[C@H]2CCC[C@@H](F)C2)c1
398247225	ZINC000381278249	ref	1.36	-14.54	0	226.301	1.05	2	3	4	CC[C@@H](NC(=O)c1csc(C)c1)C(N)=O
398247229	ZINC000649444504	ref	5.27	-9.05	0	201.269	2.323	1	1	2	C=C(C)c1cccc([C@H]2CCNC2=O)c1
398247231	ZINC000649444370	ref	4.79	-5.66	0	217.268	2.748	1	2	1	C=C(C)c1cc2c(cc1C)O[C@@H](C)C(=O)N2
342084426	ZINC000608909230	ref	5.24	-44.75	1	263.264	1.673	1	6	3	N#Cc1nccnc1Nc1cnn(-c2cc[nH+]cc2)c1
342084427	ZINC000608909230	mid	4.78	-12.73	0	263.264	1.673	1	7	3	N#Cc1nccnc1Nc1cnn(-c2ccncc2)c1
214178356	ZINC000053366436	low	7.69	-46.81	1	339.867	2.825	3	2	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cc1C
214178358	ZINC000053356075	ref	6.86	-28.0	0	344.44	1.828	0	5	3	CC(=O)N1CCCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1
342084428	ZINC000625347577	ref	4.91	-10.24	0	297.443	1.337	1	3	5	CC(C)CN1CCN(CC(=O)NCC(C)(C)C)[C@@H](C)C1=O
214178362	ZINC000053366295	ref	5.01	-12.66	0	325.84	2.517	2	3	9	CCCNC(=O)CN(CCC)CC(=O)Nc1ccccc1Cl
342084429	ZINC000625348273	ref	4.48	-13.48	0	260.337	1.778	2	2	4	C[C@H](C(=O)N[C@H](C)c1ccccc1)[C@@H]1CCC(=O)N1
214178367	ZINC000053366295	low	6.95	-40.77	1	325.84	2.517	3	2	9	CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccccc1Cl
342084430	ZINC000621358487	ref	2.92	-50.23	1	274.311	1.974	2	3	8	CCOc1cncc(C[NH2+][C@H](CC)[C@H](O)C(F)F)c1
214178370	ZINC000053366295	low	6.94	-41.43	1	325.84	2.517	3	2	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccccc1Cl
282120844	ZINC000533447709	ref	4.32	-44.45	1	269.37	1.501	2	4	4	Cc1csc(NC(=O)C[N@@H+](C)C2CCOCC2)n1
342084431	ZINC000621358487	high	2.28	-7.43	0	274.311	1.974	2	4	8	CCOc1cncc(CN[C@H](CC)[C@H](O)C(F)F)c1
342084432	ZINC000625348274	ref	4.46	-14.02	0	260.337	1.778	2	2	4	C[C@@H](NC(=O)[C@H](C)[C@H]1CCC(=O)N1)c1ccccc1
342084433	ZINC000608907723	ref	4.89	-57.64	1	298.262	1.756	2	5	4	O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc([N+](=O)[O-])c[nH]1
214178376	ZINC000053365320	ref	3.61	-24.66	0	328.372	0.509	1	5	3	C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1c(=O)cnc2ccccc21
365625229	ZINC000625042294	ref	4.61	-14.46	0	317.332	2.38	1	4	9	COCC[C@H](C)NC(=O)Cc1ccc(OC)c(OC(F)F)c1
214178381	ZINC000053371915	ref	7.34	-14.54	0	328.412	3.259	1	3	5	CCCN(C(=O)[C@@H]1CCC(=O)NC1)[C@H](C)c1cc2ccccc2o1
214178387	ZINC000053367554	ref	4.45	-16.08	0	347.459	1.345	2	4	10	CCCNC(=O)CN(CCC)CC(=O)NC[C@H]1Cc2ccccc2O1
342084434	ZINC000608907723	mid	4.43	-22.26	0	298.262	1.756	2	6	4	O=C(Nc1cnn(-c2ccncc2)c1)c1cc([N+](=O)[O-])c[nH]1
342084435	ZINC000608909711	ref	8.26	-12.83	0	290.363	1.534	0	4	4	COC(=O)[C@H]1CCCN(C(=O)CN(C)c2ccccc2)C1
342084436	ZINC000608907706	ref	5.38	-16.38	0	254.311	1.695	1	5	5	CCOC(=O)CC(=O)Nc1ccc(SC)nc1
365625239	ZINC000625043092	ref	7.48	-19.04	0	319.38	2.12	1	2	4	CN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
342599500	ZINC000063116138	mid	6.28	-47.46	1	263.341	1.187	2	3	4	Cc1noc(C)c1CC(=O)N[C@H]1CC[N@H+](C2CC2)C1
365625246	ZINC000625043720	ref	5.84	-40.98	1	313.825	2.317	3	3	8	C[N@H+](CCOc1cccc(Cl)c1)C[C@H](O)CC1(O)CCC1
210256159	ZINC000265953759	high	1.02	-52.14	-1	355.391	0.729	2	4	5	C[C@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1
365625253	ZINC000625043720	mid	6.08	-38.86	1	313.825	2.317	3	3	8	C[N@@H+](CCOc1cccc(Cl)c1)C[C@H](O)CC1(O)CCC1
365625257	ZINC000625043720	high	3.81	-5.7	0	313.825	2.317	2	4	8	CN(CCOc1cccc(Cl)c1)C[C@H](O)CC1(O)CCC1
342599501	ZINC000063116138	high	3.95	-12.75	0	263.341	1.187	1	4	4	Cc1noc(C)c1CC(=O)N[C@H]1CCN(C2CC2)C1
342599502	ZINC000063116154	ref	5.5	-42.33	1	262.357	1.329	3	2	5	CCCc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[nH]n1
365625262	ZINC000625044356	ref	6.56	-11.02	0	313.401	2.429	1	4	4	Cc1ccccc1C(C)(C)CNC(=O)c1cn2c(n1)COCC2
365625268	ZINC000625044796	ref	9.36	-46.99	1	304.434	2.358	2	2	6	Cc1ccccc1CO[C@@H](C)C(=O)NCC1CC[NH+](C)CC1
365625277	ZINC000625042296	ref	4.61	-14.56	0	317.332	2.38	1	4	9	COCC[C@@H](C)NC(=O)Cc1ccc(OC)c(OC(F)F)c1
365625281	ZINC000625043632	ref	8.41	-18.86	0	315.417	2.372	1	2	5	CCN(Cc1ccccc1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365625288	ZINC000625043489	ref	6.19	-14.22	0	301.312	2.155	0	3	4	CN(CC(=O)N1CCCC1)Cc1cccnc1C(F)(F)F
365625291	ZINC000625043489	low	7.32	-43.7	1	301.312	2.155	1	2	4	C[N@H+](CC(=O)N1CCCC1)Cc1cccnc1C(F)(F)F
365625296	ZINC000625043489	low	7.32	-43.74	1	301.312	2.155	1	2	4	C[N@@H+](CC(=O)N1CCCC1)Cc1cccnc1C(F)(F)F
342599503	ZINC000063116154	mid	5.37	-41.44	1	262.357	1.329	3	2	5	CCCc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)[nH]n1
214178359	ZINC000293503246	ref	5.76	-17.24	0	365.397	0.623	1	7	3	Cc1c(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)nnn1-c1ccn(C)n1
342599504	ZINC000063116154	mid	3.04	-6.89	0	262.357	1.329	2	3	5	CCCc1cc(C(=O)N[C@@H]2CCN(C3CC3)C2)[nH]n1
342599505	ZINC000616993788	ref	7.0	-81.01	2	269.433	1.563	3	1	5	CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
214178364	ZINC000293495720	ref	5.43	-56.95	1	360.433	0.924	3	4	6	CNC(=O)[C@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1c1cnn(C)c1
214178369	ZINC000293495720	mid	5.43	-56.95	1	360.433	0.924	3	4	6	CNC(=O)[C@H]1C[N@@H+](C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1c1cnn(C)c1
136228684	ZINC000283923902	ref	4.04	-13.17	0	246.314	0.258	0	4	1	CC#CC(=O)N1CCN(C)[C@H](c2nccn2C)C1
342599506	ZINC000616993788	mid	7.0	-80.85	2	269.433	1.563	3	1	5	CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
282120845	ZINC000113456168	high	8.01	-44.53	1	315.461	2.061	1	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccc2)C1
282120850	ZINC000130079270	ref	8.9	-85.52	2	308.47	1.596	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C1
197599095	ZINC000290110880	ref	5.91	-39.5	1	279.38	3.03	2	3	4	COc1cc(C[N@@H+]2C[C@@H](C)CC2(C)C)cc(OC)c1O
136228685	ZINC000283923902	low	4.85	-32.89	1	246.314	0.258	0	3	1	CC#CC(=O)N1CCN(C)[C@H](c2[nH+]ccn2C)C1
282120854	ZINC000130079270	mid	8.75	-84.86	2	308.47	1.596	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)C1
282120859	ZINC000192572734	ref	8.49	-48.13	1	287.407	1.912	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCc3cccnc32)C1
185090872	ZINC000096081123	ref	4.71	-15.91	0	258.321	1.406	1	2	1	Cc1ccc(C(=O)N2CC[C@H]3NC(=O)C[C@H]32)cc1C
185090874	ZINC000096081924	ref	8.38	-80.91	2	292.427	1.561	3	3	5	C[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@H](CNc3[nH+]ccn3C)[C@H]2C1
185090875	ZINC000096081924	mid	8.48	-84.63	2	292.427	1.561	3	3	5	C[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@H](CNc3[nH+]ccn3C)[C@H]2C1
197599096	ZINC000290110880	mid	5.93	-40.02	1	279.38	3.03	2	3	4	COc1cc(C[N@H+]2C[C@@H](C)CC2(C)C)cc(OC)c1O
185090877	ZINC000096081924	mid	7.92	-38.41	1	292.427	1.561	3	4	5	C[C@@H](O)C[N@@H+]1C[C@H]2CCC[C@@H](CNc3nccn3C)[C@H]2C1
197599098	ZINC000290110880	high	3.92	-6.93	0	279.38	3.03	1	4	4	COc1cc(CN2C[C@@H](C)CC2(C)C)cc(OC)c1O
342599507	ZINC000616993788	mid	7.05	-80.98	2	269.433	1.563	3	1	5	CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599508	ZINC000616993788	mid	7.0	-80.85	2	269.433	1.563	3	1	5	CC(C)[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599509	ZINC000616993788	high	4.83	-37.85	1	269.433	1.563	2	2	5	CC(C)N(C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599510	ZINC000616993788	high	4.78	-37.41	1	269.433	1.563	2	2	5	CC(C)N(C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
185090878	ZINC000096081924	mid	8.06	-37.93	1	292.427	1.561	3	4	5	C[C@@H](O)C[N@H+]1C[C@H]2CCC[C@@H](CNc3nccn3C)[C@H]2C1
342599511	ZINC000590831680	ref	6.21	-15.16	0	265.357	1.889	1	3	2	C[C@H]1COCCCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1
323004232	ZINC000561566515	ref	3.59	-14.61	0	243.303	0.429	0	4	4	C[C@@H]1CN(C(=O)COC[C@@H]2CCCO2)CCO1
259308857	ZINC000517750892	mid	9.65	-29.67	0	245.322	2.682	1	2	5	O=C([O-])C[N@@H+](Cc1ccccc1)[C@H]1C=CCCC1
349533532	ZINC000093235029	mid	5.09	-43.32	1	279.34	0.754	2	4	7	COC(=O)CNC(=O)CC[N@@H+](C)[C@@H](C)c1cccnc1
398249495	ZINC000370053958	high	6.38	-29.39	0	235.327	2.169	1	2	2	Cc1ccc([O-])c(C[N@H+]2CCOC[C@H](C)C2)c1
299072455	ZINC000459276459	ref	5.5	-13.9	0	304.381	2.613	2	2	4	CN(C[C@@H]1CCC[C@H]1O)C(=O)NC1CCC(C(F)F)CC1
299072460	ZINC000459276509	ref	7.25	-8.21	0	315.417	2.66	0	5	4	COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1cnc(C2CC2)nc1
299072465	ZINC000459276509	low	9.45	-36.18	1	315.417	2.66	1	4	4	COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cnc(C2CC2)nc1
342599512	ZINC000590833057	ref	4.33	-15.74	0	282.344	1.641	1	4	3	Cc1ncsc1CCNC(=O)N1CC[C@@](F)(C#N)C1
342599513	ZINC000590840252	ref	6.53	-38.32	1	286.379	1.873	2	3	4	Cc1cccn2cc(C[N@@H+]3CCCC[C@H]3CC(N)=O)nc12
342599514	ZINC000590840252	mid	6.55	-37.86	1	286.379	1.873	2	3	4	Cc1cccn2cc(C[N@H+]3CCCC[C@H]3CC(N)=O)nc12
178294919	ZINC000237054530	ref	6.03	-50.05	1	354.472	1.792	1	4	6	CC[NH2+]CC1CCN(S(=O)(=O)c2cccc(C(=O)OC)c2C)CC1
178305208	ZINC000237276034	high	2.25	-10.8	0	355.479	1.396	2	5	8	CSCC[C@@H](N)C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1
230235121	ZINC000336722781	ref	0.87	-49.2	-1	252.292	-1.141	1	5	6	CCS(=O)(=O)N(C)CCCNC(=O)C(=O)[O-]
230235129	ZINC000334035927	ref	-2.28	-14.47	0	259.306	-1.086	3	4	6	COCC[C@@H](CO)NC(=O)N[C@@H]1CC(=O)N(C)C1
230235140	ZINC000334442384	ref	-0.1	-15.51	0	271.321	-1.259	2	3	2	CNC(=O)NCC(=O)N1CCN(C(=O)N(C)C)CC1
230235148	ZINC000336728852	ref	-4.98	-15.66	0	265.335	-1.457	3	4	5	CCCNS(=O)(=O)N1CCC[C@](O)(C(N)=O)C1
230235156	ZINC000336792633	ref	-1.94	-11.77	0	283.346	-1.055	2	6	9	CCOC(=O)CCS(=O)(=O)N(CCO)C[C@H](C)O
230235164	ZINC000336751184	ref	-7.35	-13.18	0	267.332	-1.054	4	7	5	C[C@@](O)(CO)CNc1ncc(S(N)(=O)=O)s1
230235170	ZINC000333985086	ref	-1.56	-16.86	0	281.316	-1.017	3	5	4	CN1C[C@@H](NC(=O)N[C@@H](CO)c2cnn(C)c2)CC1=O
230235178	ZINC000336808973	ref	-5.03	-23.27	0	272.305	-1.856	4	5	5	CCCNC(=O)NC(=O)CN1CC[C@@](O)(C(N)=O)C1
230235184	ZINC000336808973	mid	-2.37	-52.11	1	272.305	-1.856	5	4	5	CCCNC(=O)NC(=O)C[N@@H+]1CC[C@@](O)(C(N)=O)C1
230235187	ZINC000336808973	mid	-2.38	-50.3	1	272.305	-1.856	5	4	5	CCCNC(=O)NC(=O)C[N@H+]1CC[C@@](O)(C(N)=O)C1
230235192	ZINC000334229345	ref	-0.07	-20.02	0	254.29	-1.253	2	3	2	CN1C[C@H](NC(=O)N(C)[C@H]2CCNC2=O)CC1=O
230235197	ZINC000336599561	ref	0.46	-15.79	0	256.306	-1.005	2	3	3	CCN1CCN(C(=O)CNC(=O)NC)[C@@H](C)C1=O
230235210	ZINC000336834379	ref	-2.11	-51.7	1	286.332	-1.467	5	4	4	CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(C(N)=O)C1
178294923	ZINC000029464350	ref	9.7	-32.39	1	247.321	3.607	1	0	0	Cc1cc2c3ccccc3[nH]c2c2c[n+](C)ccc12
178294927	ZINC000002009997	ref	10.81	-7.84	0	216.283	4.796	0	0	0	Cc1cc2c3c(cccc3c1)-c1ccccc1-2
398247216	ZINC000650864871	high	4.72	-5.58	0	297.443	1.975	2	3	8	CCN1CCCC[C@@H]1CNC(=O)N[C@H](C)COCC1CC1
136228686	ZINC000283923327	ref	4.52	-4.71	0	224.304	0.937	1	2	5	C=CCCN(C)C(=O)C(=O)NCC1CCC1
136228687	ZINC000283926251	ref	5.49	-8.08	0	243.372	1.839	1	3	8	C=CCSCCNC(=O)C1(COC)CCC1
398247220	ZINC000650867047	ref	3.88	-9.34	0	280.343	1.94	3	2	5	C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)N[C@@H](CO)CCF
178294931	ZINC000286375707	ref	4.4	-10.26	0	238.237	2.358	2	1	3	Cc1cc2cc(CNC(=O)C(F)F)ccc2[nH]1
342084437	ZINC000625348272	ref	4.75	-14.2	0	260.337	1.778	2	2	4	C[C@H](C(=O)N[C@H](C)c1ccccc1)[C@H]1CCC(=O)N1
342084438	ZINC000608909508	ref	8.73	-52.53	1	285.267	1.653	1	7	4	Cn1cnc([N+](=O)[O-])c1Nc1cnn(-c2cc[nH+]cc2)c1
214178361	ZINC000337610626	ref	3.29	-13.74	0	259.302	-0.347	1	5	8	CCN(CCOCCO)C(=O)[C@@H]1C[C@H]1C(=O)OC
398247223	ZINC000650867049	ref	3.36	-9.66	0	280.343	1.94	3	2	5	C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N[C@@H](CO)CCF
178294939	ZINC000098181463	ref	4.93	-7.81	0	238.084	2.599	1	1	0	Cc1cc2cc(Br)ccc2c(=O)[nH]1
398247227	ZINC000650864870	ref	6.68	-36.64	1	297.443	1.975	3	2	8	CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)COCC1CC1
398247230	ZINC000650864870	mid	5.94	-37.11	1	297.443	1.975	3	2	8	CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)COCC1CC1
398247233	ZINC000650864870	high	4.65	-5.73	0	297.443	1.975	2	3	8	CCN1CCCC[C@H]1CNC(=O)N[C@H](C)COCC1CC1
178294942	ZINC000154921698	ref	7.21	-10.04	0	245.278	2.827	0	3	1	Cc1cc2cc(C(=O)N3CCCO3)oc2cc1C
178294945	ZINC000336444565	ref	6.02	-17.91	0	243.31	2.856	2	2	3	Cc1cc2c[nH]nc2cc1NC(=O)C[C@@H]1C[C@@H]1C
398247237	ZINC000650867561	ref	3.27	-17.07	0	294.33	1.056	3	4	7	O=C(NCCn1cnc2ccccc21)N[C@H](CO)CCF
398247239	ZINC000650867707	ref	6.19	-16.59	0	289.31	1.45	1	4	4	O=C(NCc1cc(=O)n2ccccc2n1)C1(CF)CCC1
398247243	ZINC000650868714	ref	4.71	-39.85	1	281.4	1.027	3	2	5	C[N@H+](CCNC(=O)N1CCC(C2(O)CC2)CC1)C1CC1
342084439	ZINC000608909508	mid	8.28	-18.65	0	285.267	1.653	1	8	4	Cn1cnc([N+](=O)[O-])c1Nc1cnn(-c2ccncc2)c1
398249497	ZINC000390800191	high	3.67	-6.9	0	237.372	2.33	1	4	3	Cc1nccnc1[C@H](C)N[C@@H]1CCS[C@H]1C
342084440	ZINC000625347615	ref	4.67	-10.01	0	280.343	1.676	0	3	4	CO[C@@H](CN1CCN(C)C(=O)[C@H]1C)c1ccc(F)cc1
342599515	ZINC000590840252	mid	4.23	-12.47	0	286.379	1.873	1	4	4	Cc1cccn2cc(CN3CCCC[C@H]3CC(N)=O)nc12
342599516	ZINC000590831679	ref	5.56	-16.55	0	265.357	1.889	1	3	2	C[C@@H]1COCCCN1C(=O)N[C@H]1CC[C@@H](CC#N)C1
342599517	ZINC000616994086	ref	5.25	-37.29	1	291.395	1.946	3	2	3	Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(=O)[nH]1
197599102	ZINC000162906275	ref	4.13	-45.91	1	314.223	2.497	2	2	5	C[C@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)[C@@H]1CCOC1
282120846	ZINC000423042709	high	5.09	-41.57	1	256.39	1.553	2	3	7	CCC(CC)(CN[C@@H](C)[C@H]1CC[NH2+]C1)C(=O)OC
282120852	ZINC000263099142	ref	7.28	-37.73	0	250.342	2.623	1	3	7	CCC(CC)(C[NH2+][C@@H](C)c1ccccn1)C(=O)[O-]
282120860	ZINC000192703365	ref	5.95	-52.29	1	295.383	2.121	2	4	7	CCC(CC)(C[NH2+][C@@H](C)c1nc(C)cc(=O)[nH]1)C(=O)OC
365625261	ZINC000258649033	ref	3.96	-45.19	1	261.373	1.759	2	4	5	[NH3+]CC[C@H]1CCCCN1c1cc(NC2CC2)ncn1
342599518	ZINC000616994086	mid	5.18	-37.34	1	291.395	1.946	3	2	3	Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(=O)[nH]1
342599519	ZINC000590832686	ref	6.13	-15.03	0	274.361	1.254	1	4	9	CCOC(=O)COCCNC(=O)N(C)CCC(C)C
230740222	ZINC000450460113	ref	3.98	-16.52	0	305.374	1.138	2	4	6	C/C=C/COc1cccc(CC(=O)N2C[C@H](O)C[C@H]2CO)c1
365625269	ZINC000258649033	low	4.44	-94.54	2	261.373	1.759	2	3	5	[NH3+]CC[C@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1
230740228	ZINC000450456948	ref	8.63	-7.41	0	324.337	1.24	0	8	6	CCOC(=O)C[C@H]1C[C@H](OC)CN1c1ncc([N+](=O)[O-])c(C)n1
365625275	ZINC000258649033	low	4.49	-94.41	2	261.373	1.759	2	3	5	[NH3+]CC[C@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1
365625279	ZINC000172842812	ref	6.32	-23.98	0	292.383	1.324	1	4	4	CC(C)[C@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
230744990	ZINC000414375949	ref	7.19	-9.22	0	321.428	3.263	0	5	4	CCc1ncc(CN2CCC[C@@H]2c2nc3ccccc3n2C)cn1
230744991	ZINC000414375949	low	9.55	-41.13	1	321.428	3.263	1	4	4	CCc1ncc(C[N@@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cn1
230744992	ZINC000414375949	low	9.79	-45.41	1	321.428	3.263	1	4	4	CCc1ncc(C[N@H+]2CCC[C@@H]2c2nc3ccccc3n2C)cn1
282120862	ZINC000192703365	mid	4.72	-36.61	0	295.383	2.121	1	4	7	CCC(CC)(C[NH2+][C@@H](C)c1nc(C)cc(=O)[n-]1)C(=O)OC
342599520	ZINC000616994218	ref	6.82	-40.5	1	290.411	1.889	2	3	4	CCc1ncncc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
370645467	ZINC000631721926	ref	1.87	-9.46	0	276.402	0.52	0	4	4	C[C@H]1CO[C@H](C)CN1S(=O)(=O)CC1(N(C)C)CC1
282120864	ZINC000192703365	high	3.69	-42.73	-1	295.383	2.121	1	5	7	CCC(CC)(CN[C@@H](C)c1nc(C)cc(=O)[n-]1)C(=O)OC
342084441	ZINC000625347615	low	6.99	-48.81	1	280.343	1.676	1	2	4	CO[C@@H](C[N@@H+]1CCN(C)C(=O)[C@H]1C)c1ccc(F)cc1
342084442	ZINC000625347615	low	6.63	-46.99	1	280.343	1.676	1	2	4	CO[C@@H](C[N@H+]1CCN(C)C(=O)[C@H]1C)c1ccc(F)cc1
342084443	ZINC000625347631	ref	4.76	-6.89	0	298.427	1.371	0	4	6	CC(C)CN1CCN(CCOC2CCOCC2)[C@H](C)C1=O
342084444	ZINC000625347631	low	6.33	-43.48	1	298.427	1.371	1	3	6	CC(C)CN1CC[N@H+](CCOC2CCOCC2)[C@H](C)C1=O
178294936	ZINC000082790222	ref	2.33	-54.46	1	292.198	1.96	1	2	4	CC[C@@H](C[NH3+])S(=O)(=O)c1ccccc1Br
178294938	ZINC000082790222	high	2.53	-9.08	0	292.198	1.96	1	3	4	CC[C@@H](CN)S(=O)(=O)c1ccccc1Br
342084445	ZINC000625347631	low	6.88	-42.03	1	298.427	1.371	1	3	6	CC(C)CN1CC[N@@H+](CCOC2CCOCC2)[C@H](C)C1=O
342084446	ZINC000625348655	ref	3.17	-10.45	0	296.392	1.229	1	3	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)N1CCCC1)CO2
342084447	ZINC000625347586	ref	4.3	-12.66	0	273.32	1.899	0	2	4	C[C@H]1CN(S(=O)(=O)CCCF)C[C@H](C)C1(F)F
342084448	ZINC000608909498	ref	5.15	-19.5	0	278.312	1.472	1	5	5	NC(=O)CC[C@@H]1CCCN(c2cccnc2[N+](=O)[O-])C1
342084449	ZINC000625348638	ref	3.28	-11.51	0	269.366	1.628	1	3	4	CCCS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
178294947	ZINC000082790225	ref	2.3	-44.46	1	292.198	1.96	1	2	4	CC[C@H](C[NH3+])S(=O)(=O)c1ccccc1Br
178294948	ZINC000082790225	high	1.95	-8.62	0	292.198	1.96	1	3	4	CC[C@H](CN)S(=O)(=O)c1ccccc1Br
342084450	ZINC000625348197	ref	4.14	-11.9	0	281.377	1.628	1	3	4	Cc1cccc2c1C[C@@H](NS(=O)(=O)CC1CC1)CO2
342084451	ZINC000625348094	ref	5.24	-6.98	0	296.383	1.796	0	2	4	C[C@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@@H](C)C1(F)F
342084452	ZINC000621358490	ref	2.48	-48.47	1	274.311	1.974	2	3	8	CCOc1cncc(C[NH2+][C@H](CC)[C@@H](O)C(F)F)c1
342084453	ZINC000621358490	high	1.75	-7.26	0	274.311	1.974	2	4	8	CCOc1cncc(CN[C@H](CC)[C@@H](O)C(F)F)c1
342084454	ZINC000032823109	ref	4.4	-12.53	0	299.378	1.082	0	5	3	Cc1c(C(=O)N2CCN(Cc3ccccn3)CC2)cnn1C
342084455	ZINC000032823109	low	6.6	-45.73	1	299.378	1.082	1	4	3	Cc1c(C(=O)N2CC[NH+](Cc3ccccn3)CC2)cnn1C
282120847	ZINC000533447709	mid	4.32	-44.42	1	269.37	1.501	2	4	4	Cc1csc(NC(=O)C[N@H+](C)C2CCOCC2)n1
342084456	ZINC000616407491	ref	6.22	-13.0	0	279.409	1.782	1	4	4	Cn1nc(C(=O)NCCC2CSC2)c2c1CCCC2
342084457	ZINC000625347590	ref	3.91	-7.28	0	270.345	1.406	0	2	3	CCN(C)S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
349533533	ZINC000093235029	high	3.09	-8.76	0	279.34	0.754	1	5	7	COC(=O)CNC(=O)CCN(C)[C@@H](C)c1cccnc1
342599521	ZINC000616994218	mid	6.74	-40.2	1	290.411	1.889	2	3	4	CCc1ncncc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599522	ZINC000616995181	ref	5.96	-43.83	1	298.427	1.419	2	3	6	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COC[C@@H]2CCCO2)C1
342599523	ZINC000616995181	mid	5.93	-43.1	1	298.427	1.419	2	3	6	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)COC[C@@H]2CCCO2)C1
282120849	ZINC000151587962	ref	2.47	-40.02	-1	302.739	2.446	0	5	4	COc1ccc(S(=O)(=O)[N-]c2cnoc2C)cc1Cl
282120856	ZINC000151587962	low	2.44	-12.31	0	302.739	2.446	1	5	4	COc1ccc(S(=O)(=O)Nc2cnoc2C)cc1Cl
365625270	ZINC000479735180	ref	2.16	-11.05	0	270.373	1.071	2	3	4	CO[C@H]1CCC[C@@H]1CNC(=O)N1C[C@@H](C)[C@H](CO)C1
342599524	ZINC000616993789	ref	7.06	-80.63	2	269.433	1.563	3	1	5	CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
214178365	ZINC000337609327	ref	6.89	-15.77	0	294.358	3.236	3	2	4	Cc1ccccc1NC(=O)NCCc1c[nH]c2ncccc12
214178373	ZINC000337607077	ref	4.77	-12.06	0	271.401	2.06	1	3	7	CN(CCOCCO)C(=O)C[C@@H]1CCCCC1(C)C
342599525	ZINC000616993789	mid	7.07	-80.79	2	269.433	1.563	3	1	5	CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
342599526	ZINC000616993789	mid	7.07	-80.79	2	269.433	1.563	3	1	5	CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599527	ZINC000616993789	mid	7.06	-80.9	2	269.433	1.563	3	1	5	CC(C)[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
349533534	ZINC000093228455	ref	2.78	-49.32	-1	293.366	0.69	1	6	8	CCc1ccc(S(=O)(=O)NCCOCC(=O)[O-])s1
214178377	ZINC000337606253	ref	-0.02	-15.6	0	288.344	-0.91	1	5	7	CO[C@H]1C[C@H](C(=O)N(C)CCOCCO)N(C(C)=O)C1
214178382	ZINC000337606742	ref	2.21	-10.64	0	292.326	0.984	1	4	5	CCN1CCO[C@H](C(=O)N[C@H]2CCC[C@@H]2OC(F)F)C1
214178385	ZINC000337606742	mid	4.6	-46.54	1	292.326	0.984	2	3	5	CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H]2OC(F)F)C1
214178388	ZINC000337606742	mid	4.43	-39.69	1	292.326	0.984	2	3	5	CC[N@H+]1CCO[C@H](C(=O)N[C@H]2CCC[C@@H]2OC(F)F)C1
214178392	ZINC000337607004	ref	2.18	-12.49	0	273.373	0.906	1	4	7	CN(CCOCCO)C(=O)C(C)(C)C1CCOCC1
214178397	ZINC000337610432	ref	8.15	-10.37	0	287.359	3.486	0	3	4	COc1c(C)cc(CN(C)C(=O)c2ccoc2C)cc1C
214178403	ZINC000337606318	ref	7.65	-7.8	0	296.455	3.317	2	2	9	CCO[C@H](CCNC(=O)NCC1(C2CC2)CCC1)C(C)C
214178409	ZINC000337610641	ref	7.12	-15.56	0	299.392	2.223	1	5	9	CCC[C@H](CNC(=O)COc1ccsc1)C(=O)OCC
342599528	ZINC000616993789	high	4.85	-37.0	1	269.433	1.563	2	2	5	CC(C)N(C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599529	ZINC000616993789	high	4.84	-37.56	1	269.433	1.563	2	2	5	CC(C)N(C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599530	ZINC000616994125	ref	6.27	-45.02	1	291.395	1.235	2	3	3	Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1=O
185090884	ZINC000096080936	ref	8.81	-46.43	1	296.411	1.52	1	3	7	CCCCC[NH+]1C[C@@H]2CN(C(=O)CCC(=O)OC)C[C@H]2C1
185090886	ZINC000096081923	ref	8.58	-81.68	2	292.427	1.561	3	3	5	C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H](CNc3[nH+]ccn3C)[C@H]2C1
185090887	ZINC000096081923	mid	8.2	-82.65	2	292.427	1.561	3	3	5	C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H](CNc3[nH+]ccn3C)[C@H]2C1
185090888	ZINC000096081923	mid	8.13	-38.56	1	292.427	1.561	3	4	5	C[C@H](O)C[N@@H+]1C[C@H]2CCC[C@@H](CNc3nccn3C)[C@H]2C1
342599531	ZINC000616994125	mid	6.27	-45.53	1	291.395	1.235	2	3	3	Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ccc1=O
185090889	ZINC000096081923	mid	7.74	-37.87	1	292.427	1.561	3	4	5	C[C@H](O)C[N@H+]1C[C@H]2CCC[C@@H](CNc3nccn3C)[C@H]2C1
185090890	ZINC000096080911	ref	6.49	-44.89	1	268.401	1.459	1	2	4	COCCC(=O)N1C[C@@H]2C[NH+](CC(C)(C)C)C[C@H]2C1
185090893	ZINC000096081133	ref	3.26	-14.69	0	250.323	0.78	1	3	2	O=C1C[C@H]2[C@@H](CCN2C(=O)Cc2cccs2)N1
342599532	ZINC000616994225	ref	5.73	-37.89	1	290.411	1.749	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1
282120851	ZINC000533447709	mid	2.09	-9.03	0	269.37	1.501	1	5	4	Cc1csc(NC(=O)CN(C)C2CCOCC2)n1
342599533	ZINC000616994225	mid	5.78	-38.18	1	290.411	1.749	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2n[nH]c3c2CCC3)C1
214178374	ZINC000293505417	ref	2.01	-48.04	1	364.446	0.711	5	4	8	CC[C@H](O)CNC(=O)C(=O)Nc1ccc(C)c(NC(=O)CC[NH+](C)C)c1
342599534	ZINC000616994225	mid	5.78	-41.11	1	290.411	1.749	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1
282120853	ZINC000533449720	ref	6.15	-22.8	0	293.392	1.829	1	4	3	CCC(=O)N1CC[C@H](C(=O)Nc2nc3c(s2)CCC3)C1
282120858	ZINC000533449251	ref	1.88	-14.97	0	287.245	1.74	1	6	5	FC(F)(F)Cn1ccc(NCc2nnc(C3CC3)o2)n1
185090901	ZINC000096081274	ref	2.03	-14.9	0	280.349	0.556	1	4	3	O=C(c1ccsc1)N1CC[C@@H]2[C@@H]1CC(=O)N2CCO
185090902	ZINC000096080628	ref	6.28	-50.25	1	295.383	-0.356	1	3	4	C[NH+](C)CCN1C[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]2C1=O
342599535	ZINC000616994225	mid	5.83	-41.41	1	290.411	1.749	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2[nH]nc3c2CCC3)C1
342599536	ZINC000616995180	ref	5.91	-43.81	1	298.427	1.419	2	3	6	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COC[C@@H]2CCCO2)C1
185090903	ZINC000096080628	high	3.79	-17.58	0	295.383	-0.356	0	4	4	CN(C)CCN1C[C@@H]2CN(C(=O)[C@H]3CCCO3)C[C@@H]2C1=O
230235105	ZINC000354806080	ref	0.15	-19.16	0	272.305	-0.784	2	4	7	COCCCN(C)C(=O)NCCN1C(=O)CNC1=O
365625274	ZINC000641591686	ref	3.97	-39.85	1	261.369	1.637	2	3	3	C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc(CO)ccn1
365625278	ZINC000641591988	ref	3.8	-10.57	0	273.332	1.068	1	3	1	C[C@]1(C(=O)N2C[C@H]3C[C@@]3(O)C2)OCCc2ccccc21
365625284	ZINC000641591482	ref	4.51	-11.68	0	295.408	1.361	1	3	7	CN(CC1CC1)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
342599537	ZINC000616995180	mid	5.96	-44.25	1	298.427	1.419	2	3	6	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)COC[C@@H]2CCCO2)C1
365625289	ZINC000641591597	ref	4.79	-5.23	0	288.395	1.653	0	5	3	C[C@@H]1C[C@H](N2CCOCC2)CN1c1cc(C2CC2)ncn1
365625295	ZINC000641591597	mid	7.01	-37.62	1	288.395	1.653	1	4	3	C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1c1cc(C2CC2)ncn1
342599538	ZINC000590832364	ref	2.61	-16.05	0	265.357	1.671	3	3	3	N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H](O)C2)C1
342599539	ZINC000063115989	ref	7.13	-43.73	1	290.411	1.322	2	3	5	Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1
365625299	ZINC000641591816	ref	5.4	-8.8	0	257.333	1.62	1	2	2	Cc1ccccc1C1(C(=O)N2C[C@H]3C[C@@]3(O)C2)CC1
214178379	ZINC000293494210	ref	2.93	-16.72	0	374.441	0.89	3	4	4	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2C)cc1
365625303	ZINC000641591965	ref	2.99	-7.71	0	289.445	1.133	0	3	2	CN1CCN(S(=O)(=O)N2CCCCCC2)CC1(C)C
365625308	ZINC000641591965	low	5.35	-42.0	1	289.445	1.133	1	2	2	C[N@@H+]1CCN(S(=O)(=O)N2CCCCCC2)CC1(C)C
214178384	ZINC000293491130	ref	0.17	-16.96	0	369.443	0.216	3	5	8	CO[C@@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C1CC1
398247234	ZINC000381281349	ref	-3.04	-101.05	2	215.297	-1.19	4	2	5	CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@H]1O
342599540	ZINC000063115989	mid	7.0	-43.6	1	290.411	1.322	2	3	5	Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CC[N@H+](C2CC2)C1
365625310	ZINC000641591965	low	5.19	-44.09	1	289.445	1.133	1	2	2	C[N@H+]1CCN(S(=O)(=O)N2CCCCCC2)CC1(C)C
342599541	ZINC000063115989	high	4.67	-10.61	0	290.411	1.322	1	4	5	Cc1nn(C)c(C)c1CCC(=O)N[C@H]1CCN(C2CC2)C1
178305210	ZINC000010382622	low	4.72	-38.13	1	203.245	1.138	1	2	2	Cc1cc2[nH+]cn(CC(N)=O)c2cc1C
342599542	ZINC000616994322	ref	4.67	-37.11	1	251.33	1.525	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccon2)C1
259308859	ZINC000308994171	ref	1.92	-11.62	0	226.301	1.472	1	4	4	C=C[C@H](C)Nc1ccc(S(C)(=O)=O)cn1
342599543	ZINC000616994322	mid	4.72	-37.32	1	251.33	1.525	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccon2)C1
342599544	ZINC000590831843	ref	3.35	-14.92	0	265.357	1.529	3	3	6	N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H](CO)CC2CC2)C1
214178390	ZINC000293502103	ref	4.04	-26.6	0	363.349	0.578	2	4	4	CN1CC(=O)N(CC(=O)Nc2ccc(F)c(N3CCCNC3=O)c2)C1=O
214178399	ZINC000293503243	ref	5.68	-17.49	0	365.397	0.623	1	7	3	Cc1c(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)nnn1-c1ccn(C)n1
178294953	ZINC000079961477	ref	6.93	-6.85	0	243.306	3.188	1	2	2	Cc1cc2cc(C(=O)N[C@@H]3C[C@@H]3C)oc2cc1C
398247236	ZINC000381281349	high	-3.38	-47.6	1	215.297	-1.19	4	3	5	CCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O
398247238	ZINC000649444506	ref	7.07	-7.48	0	230.311	2.932	0	3	4	CCOCc1ccc(-c2cnn(C)c2C)cc1
178294960	ZINC000020271042	ref	8.19	-5.69	0	233.742	4.494	0	1	0	Cc1cc2cc(C(C)(C)C)ccc2nc1Cl
178294962	ZINC000353801781	ref	7.58	-37.52	1	230.355	3.61	2	0	4	Cc1cc2cc(C[NH2+][C@H](C)C(C)C)ccc2[nH]1
214178401	ZINC000293500165	ref	9.38	-19.61	0	360.349	0.744	0	9	6	Cc1cc(-n2cc(COC(=O)CCn3ncn(C)c3=O)nn2)ccc1F
178294965	ZINC000012957093	ref	4.99	-6.01	0	237.1	2.888	1	2	0	Cc1cc2cc(Br)ccc2nc1N
178294969	ZINC000334144250	ref	2.37	-43.61	1	230.271	1.157	3	2	2	Cc1cc2c[nH]nc2cc1NC(=O)[C@@H]1C[C@@H]1[NH3+]
178294971	ZINC000334144250	high	2.08	-17.47	0	230.271	1.157	3	3	2	Cc1cc2c[nH]nc2cc1NC(=O)[C@@H]1C[C@@H]1N
178294975	ZINC000063116791	ref	5.25	-7.97	0	241.319	3.249	1	4	1	Cc1cc2cc(-c3nccs3)ccc2nc1N
214178407	ZINC000293504188	ref	2.74	-12.09	0	352.343	0.437	2	7	5	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2)OC
214178412	ZINC000293489921	ref	3.35	-14.38	0	358.276	0.463	1	6	6	CCOC(=O)CN(CC(N)=O)C(=O)c1cnc(C(F)(F)F)c(C#N)c1
178294978	ZINC000063116791	low	5.7	-30.45	1	241.319	3.249	1	3	1	Cc1cc2cc(-c3nccs3)ccc2[nH+]c1N
178294980	ZINC000029232756	ref	8.3	-24.68	1	248.309	3.072	1	1	0	Cc1cc2c3c(cc[n+]2nc1C)[nH]c1ccccc13
365625276	ZINC000274324770	mid	4.31	-46.54	1	275.312	1.494	3	4	5	C[NH+](C)[C@H](CNC(=O)Nc1cncnc1)c1ccco1
398247240	ZINC000649444398	ref	1.44	-4.7	0	249.217	2.561	1	4	2	COc1cc(-c2cc(C(F)(F)F)[nH]n2)sn1
214178416	ZINC000293494413	ref	5.94	-15.34	0	374.397	0.732	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)ccc1-n1cc(C)cn1)OC
398247241	ZINC000649444398	mid	1.46	-5.73	0	249.217	2.561	1	4	2	COc1cc(-c2cc(C(F)(F)F)n[nH]2)sn1
178294986	ZINC000127551658	ref	2.65	-7.93	0	247.294	2.16	2	3	3	Cc1cc2cc(C(=O)NC[C@H](C)O)oc2cc1C
178294993	ZINC000001924064	ref	7.92	-10.49	0	242.253	3.154	1	2	1	Cc1cc2cc(-c3ccc(F)cc3)cn2c(=O)[nH]1
222609295	ZINC000170625021	ref	8.28	-21.11	0	352.442	2.568	2	6	8	CC(C)n1c(CCNC(=O)CCNc2ncccn2)nc2ccccc21
343994571	ZINC000079940387	high	5.08	-8.54	0	287.407	2.179	2	2	7	C=CCNC(=O)NC[C@H]1CCCN1CCc1ccccc1
197599129	ZINC000162909207	ref	3.86	-16.74	0	324.446	2.338	2	4	9	CCC(CC)(NC(=O)CCSc1ccc(OC)cc1)C(N)=O
185090904	ZINC000096081249	ref	4.4	-19.39	0	278.312	-0.128	1	4	4	COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1c[nH]cn1
185090905	ZINC000096081249	mid	4.26	-18.66	0	278.312	-0.128	1	4	4	COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1cnc[nH]1
342084458	ZINC000048318977	ref	7.76	-19.36	0	290.323	1.192	1	6	7	COC(=O)CCCCCNC(=O)c1cn2cccnc2n1
342084459	ZINC000608909491	ref	5.65	-12.91	0	298.39	1.924	1	4	4	N#Cc1cc2c(nc1N1CCC[C@H](CCC(N)=O)C1)CCC2
185090906	ZINC000096081138	ref	3.95	-17.85	0	274.32	0.727	1	3	3	COc1cccc(CC(=O)N2CC[C@@H]3NC(=O)C[C@@H]32)c1
282120861	ZINC000354351360	ref	7.64	-12.73	0	273.344	0.291	1	7	3	Cc1nc2n(n1)C[C@H](Nc1ccnc(N(C)C)n1)CC2
185090908	ZINC000096081344	ref	5.12	-14.61	0	297.318	0.825	1	4	2	O=C(c1c[nH]cn1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1
185090909	ZINC000096081344	mid	4.89	-18.39	0	297.318	0.825	1	4	2	O=C(c1cnc[nH]1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1cccnc1
185090910	ZINC000096081188	ref	5.26	-17.48	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccc(C)o1
342084460	ZINC000608909439	ref	6.39	-17.12	0	279.325	1.983	1	7	3	Cc1nc2n(n1)C[C@H](Nc1ccc([N+](=O)[O-])s1)CC2
185090911	ZINC000096081710	ref	-0.02	-15.44	0	293.323	-0.449	1	5	3	CNC(=O)CN1CCO[C@H]2CN(C(=O)c3ccco3)C[C@H]21
365625282	ZINC000274325418	ref	7.88	-39.63	1	290.392	1.99	1	4	3	C[C@@H](c1ccsc1)N1CCN(C(=O)c2c[nH]cn2)CC1
365625287	ZINC000274325418	mid	5.37	-11.92	0	290.392	1.99	1	4	3	C[C@@H](c1ccsc1)N1CCN(C(=O)c2cnc[nH]2)CC1
365625294	ZINC000274325418	low	7.88	-39.63	1	290.392	1.99	2	3	3	C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)c2c[nH]cn2)CC1
282120866	ZINC000354351360	mid	8.05	-36.98	1	273.344	0.291	1	6	3	Cc1nc2n(n1)C[C@H](Nc1cc[nH+]c(N(C)C)n1)CC2
342084461	ZINC000608909499	ref	5.16	-19.59	0	278.312	1.472	1	5	5	NC(=O)CC[C@H]1CCCN(c2cccnc2[N+](=O)[O-])C1
342084462	ZINC000625348099	ref	5.52	-6.85	0	296.383	1.796	0	2	4	C[C@H]1CN(S(=O)(=O)N(C)CC2CC2)C[C@H](C)C1(F)F
342084463	ZINC000608909515	ref	6.29	-14.68	0	279.325	1.983	1	7	3	Cc1nc2n(n1)C[C@H](Nc1ccsc1[N+](=O)[O-])CC2
299072456	ZINC000083189540	ref	4.38	-19.71	0	339.461	1.603	1	3	5	C[C@H](NC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1)C(=O)N(C)C
185090913	ZINC000096080800	ref	3.08	-48.11	1	289.401	-0.712	1	3	4	CCS(=O)(=O)N1C[C@H]2CN(C(=O)C[NH+](C)C)C[C@@H]2C1
365625285	ZINC000354685797	ref	4.35	-7.75	0	277.368	1.945	2	3	6	CCN(C[C@@H](C)O)C(=O)N[C@H](c1cccnc1)C1CC1
365625290	ZINC000354686307	ref	3.9	-45.04	1	295.427	1.33	3	2	5	CC1(C)CCCC[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
230740248	ZINC000425557628	ref	4.82	-6.9	0	302.296	2.412	2	2	3	COc1cccc2c1C[C@@H](NC(=O)N[C@@H](C)C(F)(F)F)C2
197599128	ZINC000290111720	ref	2.71	-10.39	0	281.352	1.278	2	4	9	COCCOCCC(=O)N[C@H](C)[C@H](O)c1ccccc1
230740250	ZINC000425560569	ref	3.95	-18.33	0	304.456	2.03	1	3	4	C[C@@H]1CCN(C(=O)NCCC(C)(C)S(C)(=O)=O)[C@H](C)C1
185090914	ZINC000096080800	mid	0.69	-16.24	0	289.401	-0.712	0	4	4	CCS(=O)(=O)N1C[C@H]2CN(C(=O)CN(C)C)C[C@@H]2C1
185090915	ZINC000096081882	ref	9.0	-43.46	1	286.423	2.425	1	3	3	c1cnc(N2C[C@H]3CCC[C@@H](C[NH+]4CCCC4)[C@H]3C2)cn1
136228688	ZINC000283921247	ref	1.95	-13.05	0	245.304	0.331	1	5	6	C=CCn1c(S(=O)(=O)CCCC)n[nH]c1=O
136228689	ZINC000283946347	ref	6.25	-13.09	0	231.299	1.497	0	3	1	CC#CC(=O)N1CCCC[C@@H]1c1ccnn1C
398247242	ZINC000390749876	ref	7.16	-32.88	1	225.376	3.114	1	1	6	COC1(C[NH2+][C@H](C)CC2CCC2)CCCC1
398247248	ZINC000076778339	ref	4.48	-13.65	0	245.373	2.325	2	4	4	CSC[C@@H](C)NC(=O)Nc1ncc(C)s1
398247251	ZINC000390757143	ref	4.43	-54.83	1	245.388	1.588	1	2	4	CC(C)C1(C[NH2+][C@@H]2CCS(=O)(=O)[C@@H]2C)CC1
398247254	ZINC000076779723	ref	4.26	-7.71	0	237.328	2.682	2	3	2	Cc1csc(NC(=O)N[C@@H]2CC=CCC2)n1
398247257	ZINC000650437668	ref	1.03	-15.82	0	246.332	-0.207	1	3	3	C[C@@H]1C[C@H]1C(=O)N[C@H]1CCN(S(C)(=O)=O)C1
197599130	ZINC000290112299	ref	4.56	-14.33	0	297.355	1.901	2	3	3	CCSc1cccc(F)c1NC(=O)N1CCNC(=O)C1
365625302	ZINC000354685682	ref	5.7	-13.52	0	284.262	1.101	0	3	4	O=C(COC(F)F)N1CCN(c2ccccc2)C(=O)C1
342599545	ZINC000590832039	ref	8.06	-23.63	0	296.334	1.871	1	5	2	Cc1ccnc(-n2nc(C)cc2NC(=O)N2CC(C#N)C2)c1
230740255	ZINC000425559348	ref	5.35	-12.88	0	303.41	2.09	2	4	7	C=CCn1cc(CNC(=O)NC[C@@H]2CCC[C@@H]2C2CC2)nn1
166172999	ZINC000040923820	high	3.49	-6.38	0	184.283	1.147	1	2	4	C=CCN(C(=O)C(C)(C)N)C(C)C
166173002	ZINC000077260998	ref	2.12	-47.14	1	156.229	0.37	1	1	5	C=CCN(C)C(=O)CCC[NH3+]
259308863	ZINC000306316876	ref	7.64	-39.53	1	213.39	3.05	1	1	2	C[C@@H]1CSC[C@@H]1[NH2+]C1CCCCCC1
398247261	ZINC000076779930	ref	6.19	-9.1	0	230.311	3.225	2	1	2	Cc1ccc(NC(=O)N[C@@H]2CC=CCC2)cc1
197599133	ZINC000290111477	ref	2.15	-8.59	0	276.336	0.751	3	3	5	CNC(=O)C1(C(=O)N[C@H](C)[C@H](O)c2ccccc2)CC1
214178391	ZINC000053367554	low	6.38	-42.92	1	347.459	1.345	3	3	10	CCCNC(=O)C[N@H+](CCC)CC(=O)NC[C@H]1Cc2ccccc2O1
342599546	ZINC000616994297	ref	4.45	-38.44	1	286.416	1.276	2	3	8	COCCOCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599547	ZINC000616994297	mid	4.45	-39.0	1	286.416	1.276	2	3	8	COCCOCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599548	ZINC000590840203	ref	0.68	-12.33	0	264.329	1.033	1	5	4	C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1nc(C2CC2)no1
365625286	ZINC000172841584	ref	5.88	-36.48	1	262.353	1.653	2	2	4	CNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC)cc2)C1
365625293	ZINC000172841584	mid	5.68	-41.06	1	262.353	1.653	2	2	4	CNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)cc2)C1
342599549	ZINC000590840203	mid	2.41	-38.91	1	264.329	1.033	2	4	4	C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(C2CC2)no1
365625297	ZINC000172841584	high	3.47	-8.98	0	262.353	1.653	1	3	4	CNC(=O)[C@H]1CCCN(Cc2ccc(OC)cc2)C1
365625304	ZINC000258646229	ref	1.85	-7.12	0	299.168	1.328	2	2	3	CC(C)(CNC(=O)C(N)=O)c1ccccc1Br
365625314	ZINC000172836477	ref	2.71	-10.96	0	284.743	1.36	2	3	6	CC(=O)NCC(=O)NC[C@H](C)Oc1cccc(Cl)c1
365625322	ZINC000172839655	ref	6.49	-25.9	0	290.367	1.388	1	4	4	CC/C=C(\C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
365625328	ZINC000172836494	ref	4.45	-10.29	0	299.754	1.639	1	4	5	C[C@H](CNC(=O)[C@H]1COCCO1)Oc1cccc(Cl)c1
365625336	ZINC000189236308	ref	5.46	-20.9	0	290.338	1.594	1	2	2	C[C@@H]1C(=O)NCCCN1C(=O)C1(c2ccc(F)cc2)CC1
342599550	ZINC000590840203	mid	2.84	-43.75	1	264.329	1.033	2	4	4	C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(C2CC2)no1
398247244	ZINC000649444557	ref	4.69	-8.26	0	217.272	2.189	0	4	3	CCOc1cccc(-c2cnn(C)c2C)n1
185090922	ZINC000096080528	ref	5.86	-40.95	1	265.382	1.555	1	3	3	CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]21
349533535	ZINC000093234534	ref	2.68	-11.58	0	292.383	0.667	1	4	6	C[C@H](NC(=O)CN(C)[C@@H](C)c1cccnc1)C(=O)N(C)C
168365386	ZINC000368503411	ref	7.86	-39.58	1	340.508	3.261	2	3	6	CC(C)(C)OC(=O)N1CCC[C@H]1C1CC[NH+](CCCCCO)CC1
168365387	ZINC000368507596	ref	5.72	-47.87	1	333.378	3.196	3	2	5	O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](CC[C@@H](O)c2ccccc2)C1
349533536	ZINC000093234534	low	4.6	-40.83	1	292.383	0.667	2	3	6	C[C@H](NC(=O)C[N@H+](C)[C@@H](C)c1cccnc1)C(=O)N(C)C
259308865	ZINC000306284470	ref	5.18	-2.92	0	234.126	3.822	1	2	3	COc1cc(Cl)c(Cl)cc1NC(C)C
365625298	ZINC000274325952	ref	1.8	-14.84	0	286.291	1.292	1	6	4	O=C(Nc1cncnc1)c1ccnc(O[C@@H]2CCOC2)c1
282120863	ZINC000533449516	ref	5.3	-21.27	0	292.379	1.571	2	3	6	CNC(=O)C(C)(C)CNC(=O)COc1cc(C)cc(C)c1
282120865	ZINC000533445120	ref	6.92	-14.15	0	293.392	1.994	0	4	4	CN(CC1CCC1)S(=O)(=O)c1ccc2c(c1)ncn2C
342599551	ZINC000590832216	ref	4.23	-17.69	0	295.383	1.373	1	4	3	CO[C@@H]1COCC[C@H]1CNC(=O)N1CCC[C@@](C)(C#N)C1
370645416	ZINC000119114377	mid	6.84	-5.9	0	285.391	3.269	1	4	5	Cc1noc(CN[C@H]2CCCC[C@H]2Cc2ccccc2)n1
282120868	ZINC000533445109	ref	4.83	-24.13	0	272.312	1.636	2	5	4	CCn1cc(NC(=O)Nc2ccc(C3CC3)nn2)cn1
342599552	ZINC000590840253	ref	6.31	-34.2	1	286.379	1.873	2	3	4	Cc1cccn2cc(C[N@@H+]3CCCC[C@@H]3CC(N)=O)nc12
342599553	ZINC000590840253	mid	6.86	-40.67	1	286.379	1.873	2	3	4	Cc1cccn2cc(C[N@H+]3CCCC[C@@H]3CC(N)=O)nc12
282123580	ZINC000533473758	ref	3.88	-9.33	0	285.347	1.863	1	4	2	C[C@H](O)[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1
365625309	ZINC000274324378	ref	4.34	-12.25	0	285.303	1.675	1	5	3	COc1ccc2c(c1)C[C@H](C(=O)Nc1cncnc1)CO2
365625316	ZINC000274325327	ref	4.37	-8.77	0	296.342	1.873	2	3	5	CC[C@H](C)[C@@H](O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C
365625323	ZINC000637717842	ref	4.73	-10.2	0	289.383	1.543	2	4	5	C[C@H](CC1CCC1)NC(=O)NC1CN(c2ccncn2)C1
370645422	ZINC000119113565	ref	7.52	-42.89	1	288.435	3.484	1	1	4	CCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1c1cccc(C)c1C
365625332	ZINC000274326037	ref	6.37	-16.5	0	290.367	1.842	1	4	3	CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)Nc1cncnc1
342599554	ZINC000590840253	mid	4.67	-14.63	0	286.379	1.873	1	4	4	Cc1cccn2cc(CN3CCCC[C@@H]3CC(N)=O)nc12
342599555	ZINC000590840208	ref	0.88	-9.47	0	264.329	1.033	1	5	4	C[C@H]1CC[C@@H](C(N)=O)CN1Cc1nc(C2CC2)no1
370645429	ZINC000119113565	high	7.22	-5.31	0	288.435	3.484	1	2	4	CCC[C@H](N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C
365625338	ZINC000274324028	ref	1.97	-9.89	0	280.25	1.203	2	4	3	Cc1c(C(F)(F)F)nn(C)c1NC(=O)N(C)CCO
342599556	ZINC000590840208	mid	2.72	-40.58	1	264.329	1.033	2	4	4	C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1nc(C2CC2)no1
342599557	ZINC000590840208	mid	2.55	-45.93	1	264.329	1.033	2	4	4	C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1nc(C2CC2)no1
259308868	ZINC000084399827	ref	6.79	-47.77	-1	219.24	1.513	0	3	2	C[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1c1ccccc1
365625342	ZINC000274326316	ref	0.07	-11.98	0	295.335	1.013	2	5	4	COc1ccc(O)c(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c1
342084464	ZINC000625348199	ref	4.04	-11.74	0	281.377	1.628	1	3	4	Cc1cccc2c1C[C@H](NS(=O)(=O)CC1CC1)CO2
197599153	ZINC000290111639	ref	5.91	-10.44	0	292.354	1.947	1	3	4	O=C(NC[C@@H]1CCCO1)[C@H]1CCN(c2ccccc2F)C1
214178394	ZINC000053367554	low	6.36	-42.63	1	347.459	1.345	3	3	10	CCCNC(=O)C[N@@H+](CCC)CC(=O)NC[C@H]1Cc2ccccc2O1
214178396	ZINC000053356372	ref	5.56	-37.02	0	343.408	1.784	2	4	5	C[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1ccc2c(c1)CC(=O)N2
342084465	ZINC000625348017	ref	4.19	-10.08	0	295.404	1.887	1	3	4	CC1(C)[C@@H](NS(=O)(=O)[C@H]2CCOC2)[C@@H]1c1ccccc1
342084466	ZINC000165849109	ref	6.29	-39.22	1	293.386	1.781	2	2	4	Cc1ccc(F)c(N2CCC(NC(=O)C[NH+](C)C)CC2)c1
214178402	ZINC000053355921	ref	9.32	-22.47	0	328.412	2.673	0	3	2	CC(=O)N1CCCN(C(=O)Cc2coc3cc(C)c(C)cc23)CC1
197599161	ZINC000290113814	ref	4.84	-58.07	1	296.798	2.127	2	2	6	CO[C@H](C[NH3+])C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C
197599162	ZINC000290113814	high	4.56	-9.96	0	296.798	2.127	2	3	6	CO[C@H](CN)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C
197599164	ZINC000290111309	ref	3.29	-19.02	0	299.334	2.04	3	4	4	Cn1nc(NC(=O)Nc2ccc(C(N)=O)cc2)cc1C1CC1
342084467	ZINC000165849109	mid	3.91	-9.03	0	293.386	1.781	1	3	4	Cc1ccc(F)c(N2CCC(NC(=O)CN(C)C)CC2)c1
282120867	ZINC000183876593	ref	6.59	-55.48	1	341.473	2.72	1	4	8	CCC(CC)(C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC
342084468	ZINC000625346933	ref	8.7	-45.2	1	273.38	1.772	1	2	6	C[NH+](C)CCN(Cc1ccccn1)C(=O)C12CC(C1)C2
342084469	ZINC000625346933	high	5.94	-7.0	0	273.38	1.772	0	3	6	CN(C)CCN(Cc1ccccn1)C(=O)C12CC(C1)C2
342084470	ZINC000608909493	ref	5.5	-12.9	0	298.39	1.924	1	4	4	N#Cc1cc2c(nc1N1CCC[C@@H](CCC(N)=O)C1)CCC2
342084471	ZINC000608909487	ref	8.45	-49.62	1	262.313	1.664	1	4	3	O=[N+]([O-])c1ncccc1N1CC[C@H]([NH+]2CCCC2)C1
342084472	ZINC000608909487	high	6.06	-15.72	0	262.313	1.664	0	5	3	O=[N+]([O-])c1ncccc1N1CC[C@H](N2CCCC2)C1
342084473	ZINC000608909306	ref	10.9	-52.07	1	288.351	1.343	1	5	8	COC(=O)CC[N@H+](CCn1cncn1)Cc1ccccc1
342084474	ZINC000608909306	mid	10.87	-52.56	1	288.351	1.343	1	5	8	COC(=O)CC[N@@H+](CCn1cncn1)Cc1ccccc1
342084475	ZINC000608909306	high	8.21	-13.18	0	288.351	1.343	0	6	8	COC(=O)CCN(CCn1cncn1)Cc1ccccc1
342084476	ZINC000625347589	ref	3.83	-7.3	0	270.345	1.406	0	2	3	CCN(C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
185090923	ZINC000096080528	mid	6.09	-40.1	1	265.382	1.555	1	3	3	CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]21
342599558	ZINC000616994145	ref	5.69	-42.42	1	286.416	1.276	2	3	8	CCOCCOCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365625300	ZINC000625042105	ref	5.58	-11.16	0	302.378	2.039	1	5	6	COCC[C@H](C)NC(=O)c1cc(C)n(-c2cnccn2)c1C
342599559	ZINC000616994145	mid	5.68	-43.05	1	286.416	1.276	2	3	8	CCOCCOCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599560	ZINC000616995183	ref	5.9	-43.96	1	298.427	1.419	2	3	6	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COC[C@H]2CCCO2)C1
185090924	ZINC000096080528	mid	3.2	-8.14	0	265.382	1.555	0	4	3	CC(C)CN1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]21
185090925	ZINC000096081342	ref	5.76	-14.73	0	297.318	0.825	1	4	2	O=C(c1c[nH]cn1)N1CC[C@@H]2[C@H]1CC(=O)N2c1cccnc1
185090926	ZINC000096081342	mid	5.52	-17.81	0	297.318	0.825	1	4	2	O=C(c1cnc[nH]1)N1CC[C@@H]2[C@H]1CC(=O)N2c1cccnc1
185090927	ZINC000096080883	ref	9.1	-54.98	1	290.382	2.372	1	1	3	CC(C)C(=O)N1C[C@H]2C[N@H+](Cc3cccc(F)c3)C[C@H]2C1
197599156	ZINC000162900212	ref	3.12	-11.94	0	317.389	2.173	3	3	4	Cc1ccc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1C(N)=O
342599561	ZINC000616995183	mid	5.87	-43.31	1	298.427	1.419	2	3	6	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)COC[C@H]2CCCO2)C1
365625307	ZINC000625041921	ref	5.22	-11.51	0	321.414	2.322	1	3	5	O=S(=O)(CCc1c(F)cccc1F)N[C@H]1CCCSC1
342599562	ZINC000590840211	ref	5.24	-32.58	1	256.39	1.779	2	2	9	CC(C)CCOCC[N@H+](CC(N)=O)C1CCCC1
214178395	ZINC000278477093	mid	7.46	-44.22	1	308.403	3.177	1	5	7	COC(=O)CC[N@@H+](Cc1cnc(-c2ccco2)s1)C(C)C
214178398	ZINC000278477093	high	5.85	-9.37	0	308.403	3.177	0	6	7	COC(=O)CCN(Cc1cnc(-c2ccco2)s1)C(C)C
342599563	ZINC000590840211	mid	4.83	-32.33	1	256.39	1.779	2	2	9	CC(C)CCOCC[N@@H+](CC(N)=O)C1CCCC1
136228690	ZINC000283942226	ref	8.14	-36.84	1	242.366	1.868	1	1	4	C#CCC[N@H+]1CCN(C)[C@H](Cc2ccccc2)C1
185090928	ZINC000096080883	mid	9.11	-54.34	1	290.382	2.372	1	1	3	CC(C)C(=O)N1C[C@H]2C[N@@H+](Cc3cccc(F)c3)C[C@H]2C1
214178400	ZINC000278477874	ref	5.19	-18.33	0	306.362	3.151	2	4	4	CCOC(=O)Nc1ccc(NC(=O)[C@@H]2CCC(C)(C)O2)cc1
136228691	ZINC000283942226	mid	8.2	-35.38	1	242.366	1.868	1	1	4	C#CCC[N@@H+]1CCN(C)[C@H](Cc2ccccc2)C1
166173004	ZINC000037817771	ref	3.41	-39.69	1	184.283	1.147	1	1	5	C=CCN(C(=O)[C@H]([NH3+])CC)C(C)C
342599564	ZINC000590840211	high	2.7	-9.54	0	256.39	1.779	1	3	9	CC(C)CCOCCN(CC(N)=O)C1CCCC1
214178404	ZINC000278476063	ref	5.16	-44.65	1	321.417	3.185	2	3	6	OCC[C@]1([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCOC1
214178406	ZINC000278476063	high	4.15	-5.99	0	321.417	3.185	2	4	6	OCC[C@]1(NCc2ccc(-c3ccc(F)cc3)s2)CCOC1
214178408	ZINC000278477310	ref	5.4	-36.18	1	304.434	2.081	1	3	7	COc1ccccc1C[C@H](C)[NH2+]CC1(N2CCOCC2)CC1
214178410	ZINC000278477978	ref	5.56	-11.13	0	316.336	2.728	0	6	6	Cc1cc(CN(C)Cc2nc(Cc3cccc(F)c3)no2)no1
214178413	ZINC000278477608	ref	5.09	-15.3	0	319.81	2.274	1	4	7	CC(=O)OCCCS(=O)(=O)N[C@H](C)c1ccc(Cl)cc1
349533537	ZINC000093234534	low	4.6	-42.46	1	292.383	0.667	2	3	6	C[C@H](NC(=O)C[N@@H+](C)[C@@H](C)c1cccnc1)C(=O)N(C)C
197599170	ZINC000162912981	ref	3.37	-14.74	0	311.403	2.124	1	4	4	CC(=O)c1cccc(S(=O)(=O)NC2C[C@H](C)O[C@@H](C)C2)c1
342084477	ZINC000608909486	ref	8.52	-52.07	1	262.313	1.664	1	4	3	O=[N+]([O-])c1ncccc1N1CC[C@@H]([NH+]2CCCC2)C1
349533538	ZINC000093232124	ref	2.87	-47.92	1	253.258	0.186	2	4	7	[NH3+]CCOCC(=O)NCc1ccccc1[N+](=O)[O-]
185090929	ZINC000096080883	high	6.65	-10.19	0	290.382	2.372	0	2	3	CC(C)C(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@@H]2C1
214178422	ZINC000278476116	ref	5.11	-57.86	1	303.374	2.047	2	3	7	O[C@@H](C[NH2+]C[C@@H]1CCSC1)COc1ccc(F)c(F)c1
214178425	ZINC000278476593	ref	7.52	-11.23	0	320.408	3.273	0	3	4	CC(C)[C@@]1(C)C[C@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
214178429	ZINC000278477607	ref	5.18	-14.6	0	319.81	2.274	1	4	7	CC(=O)OCCCS(=O)(=O)N[C@@H](C)c1ccc(Cl)cc1
214178433	ZINC000278478024	ref	1.27	-12.09	0	304.177	1.463	1	4	3	C[C@@H]1CN(Cc2ccnc(Cl)c2Cl)C[C@@H](C(N)=O)O1
214178435	ZINC000278477385	ref	3.74	-19.22	0	311.403	2.075	1	4	4	COc1cc(C)c(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1C
349533539	ZINC000093231974	ref	2.57	-50.64	1	252.27	0.387	2	4	6	COC(=O)c1ccc(NC(=O)COCC[NH3+])cc1
398249498	ZINC000381272670	ref	1.18	-51.15	1	227.333	1.091	2	3	4	CCc1nc(C)c(C(=O)NC[C@H](C)[NH3+])s1
214178438	ZINC000278477722	ref	6.17	-11.82	0	320.433	2.88	1	4	5	CC1(C)CC[C@H](C(=O)NC[C@@H](c2ccco2)N2CCCCC2)O1
214178441	ZINC000278477722	mid	8.12	-46.0	1	320.433	2.88	2	3	5	CC1(C)CC[C@H](C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)O1
342084478	ZINC000608909486	high	6.14	-14.82	0	262.313	1.664	0	5	3	O=[N+]([O-])c1ncccc1N1CC[C@@H](N2CCCC2)C1
342084479	ZINC000608909445	ref	6.41	-18.64	0	274.284	1.317	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1cccnc1[N+](=O)[O-])CC2
342084480	ZINC000608908877	ref	4.46	-10.39	0	274.328	1.313	2	7	6	CC[C@](C)(O)CNc1ncnc2c1cnn2CCC#N
365625301	ZINC000122099826	ref	7.34	-34.33	1	253.411	2.429	1	2	2	C1CSC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1
178294968	ZINC000082790076	ref	2.56	-49.93	1	259.396	2.039	1	3	3	[NH3+]C[C@H]1CCCC[C@@H]1S(=O)(=O)c1cccs1
365625313	ZINC000122083165	ref	5.24	-34.88	1	261.431	2.32	1	2	5	CC[C@H](C)C[N@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O
178294970	ZINC000082790258	ref	2.32	-51.56	1	292.198	1.96	1	2	4	C[C@H](CC[NH3+])S(=O)(=O)c1ccc(Br)cc1
365625318	ZINC000122083165	mid	5.33	-33.82	1	261.431	2.32	1	2	5	CC[C@H](C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O
343994575	ZINC000079933185	ref	8.16	-39.09	1	282.428	2.277	1	2	5	COC1CC[NH+](CC(=O)N(C(C)C)C2CCCC2)CC1
230740278	ZINC000414351119	ref	10.29	-39.82	1	314.408	3.123	1	3	6	C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H](C)Cn1cccn1
365625324	ZINC000122083165	high	5.01	-8.2	0	261.431	2.32	0	3	5	CC[C@H](C)CN(C)[C@@H]1CCCC[C@@H]1S(C)(=O)=O
365625330	ZINC000122154386	ref	4.11	-12.69	0	272.395	2.124	0	4	4	CCCCS(=O)(=O)N1CCSc2ncccc21
365625340	ZINC000122153601	ref	8.82	-15.47	0	289.331	2.342	0	4	7	C=C[C@@H](CC(=O)OCCN1CCOC1=O)c1ccccc1
365625349	ZINC000122027857	ref	7.19	-55.17	-1	265.334	2.06	1	4	3	C[C@@H](C(=O)[O-])C(=O)N[C@@H]1CCSc2ccccc21
365625355	ZINC000122173025	ref	6.41	-8.28	0	272.352	2.432	1	4	5	CC(C)C[C@H](C)NC(=O)c1cn(-c2ccccc2)nn1
282120869	ZINC000275176175	ref	5.59	-44.72	1	291.399	1.38	3	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCc3c[nH]nc32)C1
365625365	ZINC000122025089	ref	5.95	-9.16	0	272.414	2.116	1	3	7	C=C(C)COCCNC(=O)N1CCC[C@@H]1CSC
185090931	ZINC000096081898	ref	10.86	-93.22	2	299.462	3.024	2	1	5	C[N@H+](C[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21)C1CC1
365625375	ZINC000122128444	ref	6.88	-10.68	0	285.347	2.196	1	4	2	C[C@@H]1OCC[C@H]1C(=O)Nc1nc2c(cc1C#N)CCCC2
342084481	ZINC000608908877	low	4.85	-44.18	1	274.328	1.313	2	6	6	CC[C@](C)(O)CNc1[nH+]cnc2c1cnn2CCC#N
365625382	ZINC000122060238	ref	6.0	-10.07	0	250.342	2.098	0	3	2	CC1(CC(=O)N2CCO[C@@H](C#N)C2)CCCCC1
282120874	ZINC000275176175	mid	5.54	-43.28	1	291.399	1.38	3	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCCc3cn[nH]c32)C1
365625387	ZINC000122086017	ref	5.26	-11.6	0	250.342	2.024	1	3	3	CC(C)(C)[C@H](C#N)NC(=O)/C=C/C1CCOCC1
365625392	ZINC000122112151	ref	9.22	-11.8	0	274.389	2.455	0	3	2	CC1(C)CN(C(=O)Cc2ccc(C#N)cc2)CCS1
365625399	ZINC000122173788	ref	8.73	-54.4	1	286.379	2.344	2	3	5	Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](CCCC#N)C2)n1
365625403	ZINC000122173788	mid	8.93	-48.49	1	286.379	2.344	2	3	5	Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](CCCC#N)C2)n1
342084482	ZINC000608908125	ref	8.42	-20.43	0	279.34	1.075	0	5	5	COC(=O)[C@H]1CCCN(C(=O)CCCn2ccnc2)C1
342084483	ZINC000608908125	low	8.93	-44.15	1	279.34	1.075	0	4	5	COC(=O)[C@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1
342084484	ZINC000608908876	ref	4.49	-10.33	0	274.328	1.313	2	7	6	CC[C@@](C)(O)CNc1ncnc2c1cnn2CCC#N
342084485	ZINC000608908876	low	4.87	-44.1	1	274.328	1.313	2	6	6	CC[C@@](C)(O)CNc1[nH+]cnc2c1cnn2CCC#N
349533540	ZINC000093240326	ref	2.39	-11.48	0	282.344	0.764	2	5	4	COCCn1ccc(NC(=O)N2CC[C@@H](C)[C@@H](O)C2)n1
342084486	ZINC000625347989	ref	4.41	-14.97	0	293.758	1.437	0	6	3	Cn1cnnc1[C@@H]1CN(Cc2ncccc2Cl)CCO1
342084487	ZINC000616407493	ref	4.94	-16.12	0	275.255	1.495	1	5	5	CC[C@H](C(=O)Nc1cnn(C)c1C(F)F)C(=O)OC
342084488	ZINC000032827805	ref	8.52	-15.88	0	297.358	1.652	0	3	2	CC(=O)N1CCCN(C(=O)/C=C/c2cccc(C#N)c2)CC1
342084489	ZINC000625346882	ref	7.5	-19.74	0	285.347	1.966	1	4	4	COC1CC(C(=O)Nc2nn(-c3ccccc3)cc2C)C1
365625306	ZINC000354686487	ref	3.82	-34.73	1	286.416	1.463	2	3	9	CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)CO[C@H]1CCOC1
185090932	ZINC000096081898	mid	10.92	-92.58	2	299.462	3.024	2	1	5	C[N@@H+](C[C@@H]1CCC[C@@H]2C[NH+](Cc3cccnc3)C[C@@H]21)C1CC1
365625312	ZINC000354684781	ref	3.6	-4.83	0	296.411	1.613	2	3	3	C[C@@H]1OCC[C@H]1NC(=O)C(=O)NCC1CCC(C)(C)CC1
342084490	ZINC000625347613	ref	4.53	-10.53	0	280.343	1.676	0	3	4	CO[C@H](CN1CCN(C)C(=O)[C@H]1C)c1ccc(F)cc1
342084491	ZINC000625347613	low	6.78	-48.98	1	280.343	1.676	1	2	4	CO[C@H](C[N@@H+]1CCN(C)C(=O)[C@H]1C)c1ccc(F)cc1
185090933	ZINC000096081898	mid	10.98	-99.24	2	299.462	3.024	2	1	5	C[NH+](C[C@@H]1CCC[C@@H]2C[N@H+](Cc3cccnc3)C[C@@H]21)C1CC1
342084492	ZINC000625347613	low	6.63	-49.25	1	280.343	1.676	1	2	4	CO[C@H](C[N@H+]1CCN(C)C(=O)[C@H]1C)c1ccc(F)cc1
342084493	ZINC000057377022	ref	4.85	-15.76	0	293.396	1.928	2	5	7	Cc1csc(CNC(=O)NCCCCn2ccnc2)n1
185090934	ZINC000096081898	mid	11.25	-100.47	2	299.462	3.024	2	1	5	C[NH+](C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccnc3)C[C@@H]21)C1CC1
178294990	ZINC000082790217	ref	2.3	-48.14	1	292.198	1.96	1	2	4	C[C@@H](CC[NH3+])S(=O)(=O)c1ccccc1Br
342084494	ZINC000057377022	low	5.36	-40.52	1	293.396	1.928	2	4	7	Cc1csc(CNC(=O)NCCCCn2cc[nH+]c2)n1
342084495	ZINC000625348138	ref	2.32	-8.67	0	268.744	1.708	1	3	2	C[C@@H]1C(=O)N(C)CCN1Cc1cc(O)ccc1Cl
342084496	ZINC000625348138	high	3.16	-41.16	-1	268.744	1.708	0	3	2	C[C@@H]1C(=O)N(C)CCN1Cc1cc([O-])ccc1Cl
343994576	ZINC000248548788	high	6.55	-11.0	0	295.427	1.234	1	3	5	C[C@H]1CCCCN([C@H](C)C(=O)N(C)CC(=O)NC2CC2)C1
185090935	ZINC000096081257	ref	5.86	-15.12	0	276.361	1.749	0	3	3	C=CCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1ccsc1
365625311	ZINC000625044747	ref	3.84	-13.85	0	318.464	2.035	0	5	5	CCc1cnc(CN(C)S(=O)(=O)[C@@H]2COC(C)(C)C2)s1
343994578	ZINC000599272680	ref	7.1	-13.62	0	274.368	1.808	1	4	4	Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](C#N)CC(C)C)CC2
349533541	ZINC000093231234	ref	3.62	-53.59	1	267.285	0.747	2	4	7	C[C@@H](NC(=O)COCC[NH3+])c1cccc([N+](=O)[O-])c1
342084497	ZINC000616407490	ref	4.11	-8.88	0	273.398	1.44	1	4	6	CC(C)O[C@@]1(C(=O)NCCC2CSC2)CCOC1
365625315	ZINC000625042685	ref	6.05	-28.32	0	317.364	2.044	1	3	5	CN(CC(=O)c1c[nH]c2ccc(F)cc12)CC(=O)N1CCCC1
365625321	ZINC000625041923	ref	5.33	-12.51	0	321.414	2.322	1	3	5	O=S(=O)(CCc1c(F)cccc1F)N[C@@H]1CCCSC1
222609303	ZINC000291779004	ref	7.96	-11.3	0	301.39	3.101	0	4	4	COc1ccccc1N(C(=O)c1c(C)nn(C)c1C)C(C)C
214725057	ZINC000279232804	ref	3.75	-16.73	0	313.423	1.673	1	4	6	CCN(CC(C)C)C(=O)NCc1ncccc1S(C)(=O)=O
185090938	ZINC000096081182	ref	7.07	-43.36	1	259.353	1.585	1	2	3	CCN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1cccc(C)n1
185090939	ZINC000096081182	mid	7.06	-45.15	1	259.353	1.585	1	2	3	CCN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1cccc(C)n1
185090940	ZINC000096081182	high	4.68	-9.91	0	259.353	1.585	0	3	3	CCN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1cccc(C)n1
185090941	ZINC000096080796	ref	4.41	-59.28	1	295.408	0.795	1	3	4	CCS(=O)(=O)N1C[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1
185090942	ZINC000096080796	mid	4.53	-59.08	1	295.408	0.795	1	3	4	CCS(=O)(=O)N1C[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1
185090943	ZINC000096080796	mid	1.87	-12.14	0	295.408	0.795	0	4	4	CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccncc3)C[C@@H]2C1
185090944	ZINC000096081298	ref	6.27	-13.83	0	289.335	1.208	0	4	3	Cc1oncc1C(=O)N1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1
259308870	ZINC000306281866	ref	5.75	-5.87	0	209.318	2.447	1	4	2	Cc1nnc(N[C@H]2CCC[C@@H]3C[C@H]23)s1
342084498	ZINC000625347625	ref	5.21	-36.69	1	276.38	1.566	3	2	4	C[C@@H](NC(=O)C[N@@H+]1CC[C@H](O)[C@H](C)C1)c1ccccc1
342084499	ZINC000625347625	mid	5.08	-41.46	1	276.38	1.566	3	2	4	C[C@@H](NC(=O)C[N@H+]1CC[C@H](O)[C@H](C)C1)c1ccccc1
342084500	ZINC000625347625	mid	3.05	-8.77	0	276.38	1.566	2	3	4	C[C@@H](NC(=O)CN1CC[C@H](O)[C@H](C)C1)c1ccccc1
342084501	ZINC000625347614	ref	5.11	-8.34	0	280.343	1.676	0	3	4	CO[C@@H](CN1CCN(C)C(=O)[C@@H]1C)c1ccc(F)cc1
365625317	ZINC000641591920	ref	3.36	-8.16	0	274.43	1.532	0	3	3	CN1CCN(S(=O)(=O)CC2CCCC2)CC1(C)C
349533542	ZINC000093259968	ref	2.02	-38.55	1	279.34	0.67	2	4	6	COCC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1
349533543	ZINC000093259968	high	-0.16	-8.49	0	279.34	0.67	1	5	6	COCCN1CCC(Oc2ccnc(C(N)=O)c2)CC1
349533545	ZINC000093256746	ref	0.82	-47.03	1	272.349	0.207	3	4	4	C[N@@H+]1CCN(CCCOC(=O)NC(N)=O)C(C)(C)C1
365625320	ZINC000641591920	low	5.7	-41.87	1	274.43	1.532	1	2	3	C[N@@H+]1CCN(S(=O)(=O)CC2CCCC2)CC1(C)C
349533546	ZINC000093256746	mid	0.81	-47.08	1	272.349	0.207	3	4	4	C[N@H+]1CCN(CCCOC(=O)NC(N)=O)C(C)(C)C1
365625325	ZINC000641591920	low	5.58	-44.22	1	274.43	1.532	1	2	3	C[N@H+]1CCN(S(=O)(=O)CC2CCCC2)CC1(C)C
365638881	ZINC000625086290	mid	1.35	-19.58	0	304.249	2.005	2	3	3	O=c1[nH]cccc1NS(=O)(=O)c1ccc(F)c(F)c1F
365638884	ZINC000625086458	ref	1.43	-17.18	0	314.75	2.25	2	4	4	COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc[nH]c1=O
349533548	ZINC000093256746	mid	0.87	-45.71	1	272.349	0.207	3	4	4	CN1CC[N@H+](CCCOC(=O)NC(N)=O)C(C)(C)C1
230740308	ZINC000425557161	ref	4.4	-14.32	0	322.361	2.471	1	6	6	C=CCC1(C(=O)Nc2nc(C(=O)OCC)c(C)o2)CCOCC1
365638885	ZINC000625086458	high	1.72	-54.1	-1	314.75	2.25	1	4	4	COc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc[nH]c1=O
365638888	ZINC000625087589	ref	7.53	-14.43	0	306.41	2.319	0	6	6	C=CCN(C)c1nnc([C@H]2CC[C@@H](C)O2)n1C[C@@H]1CCCO1
185090945	ZINC000096081704	ref	-0.82	-11.13	0	293.371	-0.949	1	6	4	CNC(=O)CN1CCO[C@H]2CN(Cc3nccn3C)C[C@H]21
342084502	ZINC000625347614	low	6.69	-48.58	1	280.343	1.676	1	2	4	CO[C@@H](C[N@@H+]1CCN(C)C(=O)[C@@H]1C)c1ccc(F)cc1
282120870	ZINC000171103481	ref	4.32	-15.44	0	335.314	0.934	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(F)c(F)c1)CC2
282120871	ZINC000339866309	ref	4.59	-17.0	0	324.344	0.528	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(C#N)c1)CC2
282120875	ZINC000171103756	ref	5.53	-12.42	0	347.806	1.618	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1C)CC2
365638890	ZINC000625083764	ref	8.03	-11.03	0	322.453	2.443	0	6	7	CC[C@H](C)c1nnc(N(C)CC2(C)COC2)n1C[C@H]1CCCO1
365638892	ZINC000625087705	ref	7.21	-16.34	0	312.454	2.202	1	3	8	CCCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](OCC)C(C)C)C1
365638894	ZINC000625083936	ref	4.67	-25.81	0	317.364	2.09	2	3	4	CC(=O)N[C@H]1CCCN(CC(=O)c2c[nH]c3ccc(F)cc23)C1
342084503	ZINC000625347614	low	7.23	-46.68	1	280.343	1.676	1	2	4	CO[C@@H](C[N@H+]1CCN(C)C(=O)[C@@H]1C)c1ccc(F)cc1
185090946	ZINC000096081704	low	-0.69	-41.59	1	293.371	-0.949	1	5	4	CNC(=O)CN1CCO[C@H]2CN(Cc3[nH+]ccn3C)C[C@H]21
365625319	ZINC000354686237	ref	7.52	-39.46	1	288.395	1.954	1	3	2	C[C@H]1CC[C@@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2cncnc2)C1
365625326	ZINC000354686237	mid	6.66	-41.25	1	288.395	1.954	1	3	2	C[C@H]1CC[C@@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cncnc2)C1
343994577	ZINC000079933185	mid	6.02	-6.76	0	282.428	2.277	0	3	5	COC1CCN(CC(=O)N(C(C)C)C2CCCC2)CC1
342084504	ZINC000625348139	ref	2.33	-9.08	0	268.744	1.708	1	3	2	C[C@H]1C(=O)N(C)CCN1Cc1cc(O)ccc1Cl
185090948	ZINC000096081269	ref	0.81	-13.61	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3CCO)[nH]n1
349533544	ZINC000621229330	ref	3.73	-8.74	0	253.264	2.118	1	2	4	CC(C)(CNC(=O)[C@@H]1CCOC1)CC(F)(F)F
185090949	ZINC000096081269	mid	0.9	-13.86	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC(=O)N3CCO)n[nH]1
342084505	ZINC000625348139	high	2.19	-46.05	-1	268.744	1.708	0	3	2	C[C@H]1C(=O)N(C)CCN1Cc1cc([O-])ccc1Cl
365625333	ZINC000354684888	ref	1.48	-8.22	0	298.427	1.155	2	4	4	CC(C)(C(=O)NC[C@@]1(C)CCCC[C@H]1O)N1CCOCC1
365625337	ZINC000354684888	low	3.16	-41.15	1	298.427	1.155	3	3	4	CC(C)(C(=O)NC[C@@]1(C)CCCC[C@H]1O)[NH+]1CCOCC1
342084506	ZINC000621358489	ref	2.8	-45.61	1	274.311	1.974	2	3	8	CCOc1cncc(C[NH2+][C@@H](CC)[C@H](O)C(F)F)c1
342084507	ZINC000621358489	high	1.6	-8.09	0	274.311	1.974	2	4	8	CCOc1cncc(CN[C@@H](CC)[C@H](O)C(F)F)c1
185090950	ZINC000096081387	ref	1.9	-20.83	0	284.337	0.385	0	4	2	CS(=O)(=O)N1C[C@@H]2CCN(C(=O)c3ccco3)[C@@H]2C1
343994579	ZINC000079924613	ref	6.7	-13.72	0	266.37	2.336	1	4	4	CC[C@@H](C)N(C)C(=O)NCc1cn2ccsc2n1
343994581	ZINC000079927679	ref	5.18	-54.44	1	298.818	2.203	3	3	5	C[C@H]1C[C@H](C)C[NH+](CCCNc2cn[nH]c(=O)c2Cl)C1
197599180	ZINC000290112379	ref	6.36	-46.2	1	287.407	1.865	2	2	4	Cc1ccccc1NCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1
178295003	ZINC000082789756	ref	2.71	-52.83	1	261.774	2.241	1	2	5	CC[C@@H](CC[NH3+])S(=O)(=O)c1ccccc1Cl
343994583	ZINC000079941322	ref	3.07	-8.23	0	279.321	2.19	1	6	5	COCc1cc(C(=O)Nc2ccc(SC)nc2)no1
343994586	ZINC000079941279	ref	4.65	-11.39	0	288.376	2.27	2	4	3	CSc1ccc(NC(=O)[C@@H]2CCc3c[nH]nc3C2)cn1
349533547	ZINC000621226845	ref	3.5	-9.88	0	253.264	2.118	1	2	4	CC(C)(CNC(=O)C1(C)COC1)CC(F)(F)F
342084508	ZINC000621358488	ref	3.1	-45.63	1	274.311	1.974	2	3	8	CCOc1cncc(C[NH2+][C@@H](CC)[C@@H](O)C(F)F)c1
342084509	ZINC000621358488	high	1.77	-6.0	0	274.311	1.974	2	4	8	CCOc1cncc(CN[C@@H](CC)[C@@H](O)C(F)F)c1
230740307	ZINC000414352374	ref	9.09	-51.92	1	308.429	3.415	2	2	7	CCc1ncc(C[NH2+]CCc2c[nH]c3c(CC)cccc23)cn1
365625327	ZINC000625044496	ref	2.61	-13.76	0	320.361	2.337	1	4	7	CCC1(NS(=O)(=O)c2cccnc2OCC(F)F)CCC1
342599565	ZINC000590833520	ref	4.59	-15.71	0	274.206	1.118	2	5	2	Cc1nc(NC(=O)c2cnn(C)c2C(F)(F)F)n[nH]1
365625331	ZINC000625044496	high	2.48	-51.41	-1	320.361	2.337	0	4	7	CCC1([N-]S(=O)(=O)c2cccnc2OCC(F)F)CCC1
230740313	ZINC000414355816	ref	8.91	-37.24	1	304.409	3.406	1	2	4	C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCO[C@H](C)C1
365625335	ZINC000625042259	ref	7.14	-19.06	0	307.438	2.217	1	2	3	CC(C)[C@@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365625339	ZINC000625043633	ref	8.4	-20.7	0	315.417	2.372	1	2	5	CCN(Cc1ccccc1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365625343	ZINC000625042947	ref	5.87	-19.51	0	323.274	2.487	2	3	3	O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(=O)[nH]cn1
342599566	ZINC000590833520	mid	5.1	-11.76	0	274.206	1.118	2	5	2	Cc1nnc(NC(=O)c2cnn(C)c2C(F)(F)F)[nH]1
197599183	ZINC000162912742	ref	6.47	-47.89	1	308.447	2.975	1	3	5	C[C@@H]([NH2+]Cc1ccc(SC(=O)N(C)C)cc1)[C@H]1CCOC1
365625345	ZINC000625042947	high	4.71	-43.32	-1	323.274	2.487	1	3	3	O=C(N[C@H]1C[C@H]1c1ccccc1C(F)(F)F)c1cc(=O)[n-]cn1
365625350	ZINC000625043123	ref	5.53	-12.44	0	321.402	2.013	0	5	2	Cc1ccc2c(c1)O[C@@H](C)CN2S(=O)(=O)c1cnc(C)n1C
365625356	ZINC000625043122	ref	5.6	-12.09	0	321.402	2.013	0	5	2	Cc1ccc2c(c1)O[C@H](C)CN2S(=O)(=O)c1cnc(C)n1C
365625360	ZINC000625044329	ref	5.88	-39.35	1	313.825	2.317	3	3	8	C[N@H+](CCOc1ccccc1Cl)C[C@H](O)CC1(O)CCC1
365625363	ZINC000625044329	mid	6.11	-36.77	1	313.825	2.317	3	3	8	C[N@@H+](CCOc1ccccc1Cl)C[C@H](O)CC1(O)CCC1
342599567	ZINC000590833520	mid	4.61	-10.77	0	274.206	1.118	2	5	2	Cc1n[nH]c(NC(=O)c2cnn(C)c2C(F)(F)F)n1
197599188	ZINC000162906312	ref	3.87	-11.89	0	313.379	2.139	3	5	6	CSC[C@@](C)(O)CNC(=O)Nc1ccc([N+](=O)[O-])cc1C
365625367	ZINC000625044329	high	3.84	-6.36	0	313.825	2.317	2	4	8	CN(CCOc1ccccc1Cl)C[C@H](O)CC1(O)CCC1
365625371	ZINC000625043093	ref	7.47	-21.56	0	319.38	2.12	1	2	4	CN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365625376	ZINC000625043984	ref	6.79	-18.93	0	319.449	2.408	2	2	4	O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N[C@@H]1CCN(C2CCC2)C1=O
365625378	ZINC000625042784	ref	6.86	-45.32	1	320.405	2.236	1	2	7	Cc1ccc(S(=O)(=O)N(C)CCCC[NH+](C)C)c(F)c1F
365625341	ZINC000639790626	ref	4.24	-48.51	1	287.363	1.426	2	4	5	COC[C@@H](O)C[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1
185090955	ZINC000096080642	ref	3.22	-13.18	0	279.296	-0.149	0	5	4	COCCN1C[C@@H]2CN(C(=O)c3ccno3)C[C@@H]2C1=O
136228692	ZINC000283942226	mid	8.08	-38.75	1	242.366	1.868	1	1	4	C#CCCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1
178294996	ZINC000000874054	ref	6.95	-47.68	-1	235.67	3.203	0	3	1	Cc1cc2cc(C(=O)[O-])c(Cl)nc2cc1C
178294997	ZINC000353797170	ref	8.37	-38.58	1	242.366	3.755	2	0	4	Cc1cc2cc(C[NH2+][C@@H](C)C3CCC3)ccc2[nH]1
282120872	ZINC000183876593	high	5.69	-13.87	0	341.473	2.72	1	5	8	CCC(CC)(CN[C@@H](C)c1ccc(S(C)(=O)=O)cc1)C(=O)OC
290009809	ZINC000458863514	ref	8.11	-36.83	1	285.407	2.391	2	1	3	CC[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC[C@@H]2F)C[C@H]1C
178294999	ZINC000336444562	ref	6.02	-17.97	0	243.31	2.856	2	2	3	Cc1cc2c[nH]nc2cc1NC(=O)C[C@H]1C[C@H]1C
398247245	ZINC000649444465	ref	6.8	-4.84	0	228.295	3.893	0	3	3	C=C(C)c1ccc(-c2nc(C(C)C)no2)cc1
185090958	ZINC000096081635	ref	1.54	-12.65	0	290.385	-0.096	0	4	4	CCS(=O)(=O)N1C[C@H]2OCC(=O)N(CC(C)C)[C@@H]2C1
185090959	ZINC000096081283	ref	7.93	-49.04	1	259.353	1.6	2	1	4	O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccc[nH]2)N1CC1CC1
185090960	ZINC000096081283	mid	7.86	-48.53	1	259.353	1.6	2	1	4	O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccc[nH]2)N1CC1CC1
185090961	ZINC000096081283	high	5.68	-8.2	0	259.353	1.6	1	2	4	O=C1C[C@H]2[C@H](CCN2Cc2ccc[nH]2)N1CC1CC1
185090962	ZINC000096080530	ref	6.42	-45.28	1	291.42	2.09	1	3	3	O=C(c1cscn1)N1C[C@H]2C[N@H+](CC3CCCC3)[C@@H]2C1
398247247	ZINC000649444505	ref	5.27	-9.0	0	201.269	2.323	1	1	2	C=C(C)c1cccc([C@@H]2CCNC2=O)c1
190492504	ZINC000269413169	ref	-1.7	-13.51	0	295.339	-0.73	2	6	7	O=C(COc1cccnc1)NC[C@@H](O)CN1CCOCC1
349533549	ZINC000621225963	ref	1.68	-6.62	0	291.273	2.194	1	4	5	COc1cncc(C(=O)NCC(C)(C)CC(F)(F)F)n1
185090963	ZINC000096080530	mid	6.84	-44.79	1	291.42	2.09	1	3	3	O=C(c1cscn1)N1C[C@H]2C[N@@H+](CC3CCCC3)[C@@H]2C1
190492505	ZINC000269413169	low	0.69	-49.35	1	295.339	-0.73	3	5	7	O=C(COc1cccnc1)NC[C@@H](O)C[NH+]1CCOCC1
398247250	ZINC000381281344	ref	-2.84	-102.27	2	215.297	-1.19	4	2	5	CCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O
185090964	ZINC000096080530	high	2.79	-8.49	0	291.42	2.09	0	4	3	O=C(c1cscn1)N1C[C@@H]2[C@@H](C1)CN2CC1CCCC1
178295011	ZINC000285691674	ref	3.36	-38.23	1	245.326	1.83	3	1	5	Cc1cc2cc(C[NH2+][C@H](C)CC(N)=O)ccc2[nH]1
259308873	ZINC000220294649	ref	6.96	-46.85	-1	225.288	1.666	0	3	6	C=CCCCN(C)C(=O)C1(C(=O)[O-])CCC1
230740327	ZINC000425559282	ref	5.96	-14.77	0	320.364	2.154	1	3	3	Cc1cc(C(=O)N2CCOCC2)ccc1NC(=O)[C@@]1(C)C[C@H]1F
398247246	ZINC000650868714	mid	4.71	-39.68	1	281.4	1.027	3	2	5	C[N@@H+](CCNC(=O)N1CCC(C2(O)CC2)CC1)C1CC1
297220838	ZINC000443365227	high	3.08	-50.05	-1	323.78	2.585	1	5	5	CCc1nc(C(C)(C)NC(=O)Cc2ccc([O-])cc2Cl)no1
282120873	ZINC000192701087	ref	7.29	-45.32	1	341.477	2.656	2	5	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1nc(C)c(C)s1)C(=O)OC
342599568	ZINC000590834010	ref	4.74	-45.08	-1	292.339	1.195	0	4	1	COC(=O)c1ccc(=NC(=O)N2CC(C(C)(C)C)C2)[n-]n1
342599569	ZINC000590834774	ref	4.0	-13.43	0	255.293	1.201	1	3	2	CO[C@@H]1CCC[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1
342599570	ZINC000590833860	ref	4.4	-41.6	-1	292.339	1.099	1	4	4	COC(=O)c1ccc(=NC(=O)NC[C@@H]2C[C@H]2C(C)C)[n-]n1
342599571	ZINC000590834386	ref	7.35	-19.52	0	295.298	1.611	0	6	2	O=c1c2cccnc2ncn1Cc1ccc2c(c1)OCCO2
342599572	ZINC000590833996	ref	4.17	-41.51	-1	292.339	1.409	1	4	5	C=CCC(C)(C)CNC(=O)N=c1ccc(C(=O)OC)n[n-]1
342599573	ZINC000590833254	ref	3.8	-11.4	0	257.309	1.449	1	3	4	CC[C@@](C)(CNC(=O)N1CC[C@@](F)(C#N)C1)OC
342599574	ZINC000590834740	ref	5.35	-17.15	0	265.357	1.889	1	3	2	CO[C@@H]1CCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1
214178411	ZINC000053372904	ref	5.56	-19.09	0	343.387	1.032	0	7	5	O=C(Cn1nnc(COc2ccccc2)n1)N1CCO[C@H]2CCC[C@H]21
342599575	ZINC000590833965	ref	4.07	-42.17	-1	290.323	1.307	1	4	3	COC(=O)c1ccc(=NC(=O)NCC2=CCCCC2)[n-]n1
214178415	ZINC000053356582	ref	6.64	-21.41	0	348.428	0.998	0	6	1	CC(=O)N1CCCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)CC1
214178421	ZINC000053373935	ref	6.93	-15.32	0	333.413	1.628	0	6	3	O=C(CCn1cnc2sccc2c1=O)N1CCO[C@H]2CCC[C@@H]21
214178426	ZINC000053370494	ref	5.04	-7.96	0	330.815	2.94	1	3	4	NC(=O)[C@@H](c1ccccc1)N1CCO[C@H](c2ccc(Cl)cc2)C1
342599576	ZINC000590834910	ref	5.73	-23.84	0	295.245	1.739	1	4	2	COC(=O)c1c(F)cc(NC(=O)N2CC(C#N)C2)cc1F
214178431	ZINC000053356370	ref	5.55	-37.24	0	343.408	1.784	2	4	5	C[C@H](NC(=O)CSc1cccc[n+]1[O-])c1ccc2c(c1)CC(=O)N2
230744993	ZINC000414375916	ref	6.75	-38.64	1	314.351	3.1	2	1	3	Cc1cc(C[N@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1C(F)(F)F
342599577	ZINC000590833327	ref	6.41	-10.64	0	298.383	1.705	1	4	4	C=C(C)CCNC(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1
342599578	ZINC000590834403	ref	4.3	-16.01	0	256.265	1.445	0	6	2	Cc1nc(Cn2cnc3ncccc3c2=O)oc1C
342084510	ZINC000625347619	ref	3.58	-12.27	0	297.367	1.576	0	3	3	C[C@@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H](C)C1(F)F
342084511	ZINC000625347587	ref	4.29	-12.66	0	273.32	1.899	0	2	4	C[C@@H]1CN(S(=O)(=O)CCCF)C[C@@H](C)C1(F)F
365625344	ZINC000172833337	ref	2.65	-18.18	0	271.32	1.537	2	3	3	Cc1ccc2cccc(C(=O)NC(C)(C)C(N)=O)c2n1
365625352	ZINC000111477159	ref	7.11	-58.95	-1	283.368	1.762	0	4	4	CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1
199273207	ZINC000181261199	mid	8.47	-41.03	1	318.461	3.034	2	2	6	CC[C@@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1
343994580	ZINC000599272680	low	7.54	-40.57	1	274.368	1.808	1	3	4	Cc1cn2c([nH+]1)C[C@@H](C(=O)N[C@@H](C#N)CC(C)C)CC2
349533550	ZINC000093256746	mid	0.88	-45.72	1	272.349	0.207	3	4	4	CN1CC[N@@H+](CCCOC(=O)NC(N)=O)C(C)(C)C1
342084512	ZINC000625348604	ref	3.34	-11.61	0	269.366	1.628	1	3	4	CCCS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
343994582	ZINC000599271179	ref	8.17	-45.77	1	277.364	1.4	2	3	6	CCOC(=O)C[C@H](O)C[N@H+](C)C1Cc2ccccc2C1
343994584	ZINC000599271179	mid	7.91	-46.21	1	277.364	1.4	2	3	6	CCOC(=O)C[C@H](O)C[N@@H+](C)C1Cc2ccccc2C1
343994585	ZINC000599271179	high	5.59	-10.69	0	277.364	1.4	1	4	6	CCOC(=O)C[C@H](O)CN(C)C1Cc2ccccc2C1
343994587	ZINC000599271556	ref	2.78	-17.94	0	298.364	1.66	1	5	5	Cc1oc(S(C)(=O)=O)cc1C(=O)N[C@@H](C#N)CC(C)C
365625357	ZINC000172838199	ref	6.31	-37.39	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)[nH]n1
365625361	ZINC000172838199	mid	6.48	-39.12	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)[nH]n1
342084513	ZINC000625348275	ref	4.43	-13.88	0	260.337	1.778	2	2	4	C[C@@H](NC(=O)[C@H](C)[C@@H]1CCC(=O)N1)c1ccccc1
342084514	ZINC000625347624	ref	5.11	-36.02	1	276.38	1.566	3	2	4	C[C@H]1C[N@H+](CC(=O)N[C@H](C)c2ccccc2)CC[C@@H]1O
365625364	ZINC000172838199	mid	6.5	-34.19	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n[nH]1
365625369	ZINC000172838199	mid	6.66	-36.54	1	264.373	1.665	2	2	4	Cc1cc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)n[nH]1
365625377	ZINC000158194300	ref	1.77	-52.36	1	289.364	1.853	1	6	5	Cc1oc(-c2cccs2)nc1Cn1cc(CC[NH3+])nn1
365625385	ZINC000258649037	ref	4.42	-46.38	1	261.373	1.759	2	4	5	[NH3+]CC[C@@H]1CCCCN1c1cc(NC2CC2)ncn1
342084515	ZINC000625347624	mid	5.04	-41.47	1	276.38	1.566	3	2	4	C[C@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccccc2)CC[C@@H]1O
343994589	ZINC000599271198	ref	3.88	-20.59	0	299.396	1.418	2	4	8	CCN(Cc1ccoc1)C(=O)[C@H](CCSC)NC(N)=O
370645472	ZINC000631721926	mid	3.91	-36.1	1	276.402	0.52	1	3	4	C[C@H]1CO[C@H](C)CN1S(=O)(=O)CC1([NH+](C)C)CC1
185090965	ZINC000096081691	ref	6.83	-43.34	1	274.368	1.084	1	4	3	Cc1ccc(N2C[C@@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)nn1
185090966	ZINC000096081691	mid	7.13	-38.24	1	274.368	1.084	1	4	3	Cc1ccc(N2C[C@@H]3OCC[N@@H+](CC4CC4)[C@@H]3C2)nn1
185090967	ZINC000096081691	mid	4.56	-10.4	0	274.368	1.084	0	5	3	Cc1ccc(N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)nn1
185090968	ZINC000096081584	ref	3.38	-16.88	0	287.319	0.319	0	4	3	C=CCN1C(=O)CO[C@H]2CN(C(=O)c3cccnc3)C[C@H]21
342599579	ZINC000590834127	ref	5.01	-42.55	-1	294.355	1.631	1	4	3	COC(=O)c1ccc(=NC(=O)N[C@@H](C)CC(C)(C)C)[n-]n1
342599580	ZINC000590833568	ref	5.31	-14.16	0	299.132	1.101	2	5	4	Cc1nc(NC(=O)CCn2cc(Br)cn2)n[nH]1
349533551	ZINC000621225891	ref	4.9	-13.9	0	277.29	2.057	1	3	5	Cn1nccc1CC(=O)NCC(C)(C)CC(F)(F)F
185090970	ZINC000096081110	ref	8.81	-17.9	0	297.362	1.023	0	5	2	Cn1cccc1C(=O)N1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1
185090971	ZINC000096081402	ref	7.21	-42.01	1	266.385	1.213	1	2	4	COCC[N@@H+]1CC[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1
185090972	ZINC000096081402	mid	7.0	-41.32	1	266.385	1.213	1	2	4	COCC[N@H+]1CC[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1
365625346	ZINC000639790626	mid	4.46	-52.05	1	287.363	1.426	2	4	5	COC[C@@H](O)C[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1
185090973	ZINC000096081402	high	5.08	-7.35	0	266.385	1.213	0	3	4	COCCN1CC[C@H]2CN(C(=O)C3CCC3)C[C@H]2C1
185090974	ZINC000096081016	ref	7.21	-49.63	1	273.38	1.741	1	2	3	CC(C)C[NH+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]2C1
365625351	ZINC000639790626	high	1.96	-13.81	0	287.363	1.426	1	5	5	COC[C@@H](O)CN1CC[C@H](c2ccc3cccnc3n2)C1
185090975	ZINC000096080910	ref	6.59	-44.58	1	268.401	1.459	1	2	4	COCCC(=O)N1C[C@H]2C[N@H+](CC(C)(C)C)C[C@H]2C1
185090976	ZINC000096080910	mid	6.56	-44.65	1	268.401	1.459	1	2	4	COCCC(=O)N1C[C@H]2C[N@@H+](CC(C)(C)C)C[C@H]2C1
365625354	ZINC000354684486	ref	5.29	-44.77	1	295.427	1.283	2	2	6	CN(CC1CCCCC1)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
306234539	ZINC000557842098	ref	0.46	-55.14	-1	347.792	1.33	0	4	5	C[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F)S(C)(=O)=O
185090977	ZINC000096080631	ref	6.54	-45.18	1	280.393	1.285	1	3	5	COCCN1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2C1=O
185090978	ZINC000096080631	mid	6.46	-46.76	1	280.393	1.285	1	3	5	COCCN1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2C1=O
185090979	ZINC000096081334	ref	4.37	-16.84	0	297.362	1.195	0	5	3	Cn1ccnc1CN1CC[C@H]2[C@@H]1CC(=O)N2c1cccnc1
342599581	ZINC000590833568	mid	5.82	-12.02	0	299.132	1.101	2	5	4	Cc1nnc(NC(=O)CCn2cc(Br)cn2)[nH]1
214178414	ZINC000337610442	ref	5.98	-13.91	0	290.75	3.184	2	3	4	CCc1cccnc1NC(=O)Cc1ccc(O)cc1Cl
214178417	ZINC000337610442	high	6.75	-56.22	-1	290.75	3.184	1	3	4	CCc1cccnc1NC(=O)Cc1ccc([O-])cc1Cl
214178419	ZINC000337606793	ref	2.93	-11.61	0	285.29	2.211	2	3	5	O=C(Cc1cccc(O)c1)N[C@H]1CCC[C@@H]1OC(F)F
343994588	ZINC000079935521	ref	4.33	-11.73	0	286.303	2.179	2	5	8	CC(C)COC[C@@H](O)CNc1ccc(F)cc1[N+](=O)[O-]
214178427	ZINC000337607542	ref	2.21	-20.84	0	294.351	0.469	1	4	7	CN(C)C(=O)c1cccc(C(=O)N(C)CCOCCO)c1
214178432	ZINC000337608435	ref	4.71	-91.21	2	283.416	0.602	3	2	7	CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1CCC1
214178436	ZINC000337608435	mid	1.53	-39.2	1	283.416	0.602	2	3	7	CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCC1
178295013	ZINC000285691674	high	2.14	-10.99	0	245.326	1.83	3	2	5	Cc1cc2cc(CN[C@H](C)CC(N)=O)ccc2[nH]1
214178439	ZINC000337606650	ref	1.08	-17.44	0	288.307	0.534	3	4	3	C[C@H](NC(=O)Nc1cccc2c(=O)n(C)ccc12)C(N)=O
214178442	ZINC000337608244	ref	4.99	-12.27	0	268.357	2.326	1	4	7	CC[C@H](C(=O)N[C@H](C)CCOC)c1c(C)noc1C
178295015	ZINC000019684761	ref	3.9	-56.08	1	206.676	2.655	1	1	1	Cc1cc2cc(C[NH3+])ccc2nc1Cl
214178447	ZINC000337608341	ref	7.65	-14.47	0	289.322	2.222	0	3	2	COC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCC(F)(F)C2)[C@H]1C
343994590	ZINC000079934648	ref	10.1	-19.01	0	285.263	2.442	0	7	3	Cc1cc(Oc2cc([N+](=O)[O-])ccc2C)n2ncnc2n1
398247249	ZINC000650868714	high	2.28	-9.17	0	281.4	1.027	2	3	5	CN(CCNC(=O)N1CCC(C2(O)CC2)CC1)C1CC1
398247252	ZINC000650864883	ref	3.59	-9.35	0	280.343	1.736	3	2	6	O=C(NC[C@@H]1CCc2ccccc21)N[C@H](CO)CCF
178295021	ZINC000045348946	ref	6.42	-36.08	0	227.263	2.902	0	3	0	Cc1cc2c3c(cc(C)n2C)cc(=O)cc3o1
398247255	ZINC000650868655	ref	-0.33	-10.52	0	270.304	1.473	4	3	6	C[C@@H](NC(=O)N[C@@H](CO)CCF)c1cccc(O)c1
398247258	ZINC000650868656	ref	-0.34	-10.38	0	270.304	1.473	4	3	6	C[C@H](NC(=O)N[C@H](CO)CCF)c1cccc(O)c1
214178467	ZINC000337607462	ref	3.77	-12.25	0	265.313	0.435	1	5	7	CN(CCOCCO)C(=O)c1ccnc(C2CC2)n1
214178472	ZINC000337606218	ref	6.73	-11.58	0	278.4	2.494	2	3	5	CC(C)C[C@H](C)NC(=O)NC[C@H]1CCCn2ccnc21
214178477	ZINC000337606218	low	7.36	-34.42	1	278.4	2.494	2	2	5	CC(C)C[C@H](C)NC(=O)NC[C@H]1CCCn2cc[nH+]c21
398249500	ZINC000100407051	mid	6.33	-11.51	0	220.247	2.574	1	2	2	CC(C)c1cc(=O)n(-c2ccc(F)cc2)[nH]1
178295026	ZINC000100402064	ref	4.36	-11.36	0	215.252	1.962	1	3	0	Cc1cc2c3c(c1)c(O)cc(=O)n3CCC2
197599195	ZINC000162911325	ref	5.46	-10.49	0	305.378	1.296	1	4	3	COC(=O)[C@@H](c1ccccc1C)N1CCCN(C(N)=O)CC1
197599197	ZINC000162911325	low	6.88	-40.04	1	305.378	1.296	2	3	3	COC(=O)[C@@H](c1ccccc1C)[N@@H+]1CCCN(C(N)=O)CC1
370645420	ZINC000356292234	ref	9.28	-43.44	1	292.427	2.329	1	3	7	CC[C@H](C)n1nc(C(=O)N(CC[NH+](C)C)C2CC2)cc1C
342599582	ZINC000590833255	ref	3.77	-11.41	0	257.309	1.449	1	3	4	CC[C@@](C)(CNC(=O)N1CC[C@](F)(C#N)C1)OC
365625348	ZINC000274326316	high	1.02	-54.22	-1	295.335	1.013	1	5	4	COc1ccc([O-])c(C(=O)N2CCOC[C@@H]2C[C@H](C)O)c1
197599199	ZINC000162911325	low	7.0	-40.4	1	305.378	1.296	2	3	3	COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCCN(C(N)=O)CC1
365625353	ZINC000274325322	ref	4.27	-8.85	0	296.342	1.873	2	3	5	CC[C@@H](C)[C@@H](O)C(=O)Nc1ccc(F)cc1C(=O)N(C)C
365625359	ZINC000274327222	ref	3.06	-9.19	0	287.337	1.088	0	5	4	CON(C)S(=O)(=O)c1ccc(C2(C)OCCO2)cc1
342084516	ZINC000625347624	mid	2.88	-9.57	0	276.38	1.566	2	3	4	C[C@H]1CN(CC(=O)N[C@H](C)c2ccccc2)CC[C@@H]1O
342084517	ZINC000608908665	ref	6.35	-11.34	0	279.258	1.74	0	3	2	COC(=O)[C@@H]1CCCN(C(=O)C2(C(F)(F)F)CC2)C1
342084518	ZINC000625347617	ref	3.58	-12.45	0	297.367	1.576	0	3	3	C[C@H]1CN(S(=O)(=O)C[C@H]2CCOC2)C[C@@H](C)C1(F)F
342084519	ZINC000616407488	ref	4.99	-16.22	0	275.255	1.495	1	5	5	CC[C@@H](C(=O)Nc1cnn(C)c1C(F)F)C(=O)OC
185090980	ZINC000096081334	low	4.76	-36.29	1	297.362	1.195	0	4	3	Cn1cc[nH+]c1CN1CC[C@H]2[C@@H]1CC(=O)N2c1cccnc1
342084520	ZINC000616407489	ref	3.8	-10.16	0	273.398	1.44	1	4	6	CC(C)O[C@]1(C(=O)NCCC2CSC2)CCOC1
342084521	ZINC000608909514	ref	7.14	-45.81	1	262.276	1.699	1	5	3	N#Cc1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)nc1
342084522	ZINC000608909514	mid	6.69	-13.36	0	262.276	1.699	1	6	3	N#Cc1ccc(Nc2cnn(-c3ccncc3)c2)nc1
342084523	ZINC000616407771	ref	4.23	-9.93	0	288.338	1.591	1	3	5	CN(C)C1(C(=O)NCC(=O)C2CCC(F)(F)CC2)CC1
342084524	ZINC000616407771	mid	6.47	-41.2	1	288.338	1.591	2	2	5	C[NH+](C)C1(C(=O)NCC(=O)C2CCC(F)(F)CC2)CC1
342084525	ZINC000625347576	ref	4.78	-10.38	0	297.443	1.337	1	3	5	CC(C)CN1CCN(CC(=O)NCC(C)(C)C)[C@H](C)C1=O
342084526	ZINC000608908653	ref	5.05	-12.33	0	269.341	1.215	0	4	2	COC(=O)[C@@H]1CCCN(C(=O)C2(C)CCOCC2)C1
342084527	ZINC000625348239	ref	7.0	-60.73	1	291.395	1.397	1	3	7	COC1CC(C(=O)N(CC[NH+](C)C)Cc2ccccn2)C1
342084528	ZINC000625348239	high	4.52	-13.84	0	291.395	1.397	0	4	7	COC1CC(C(=O)N(CCN(C)C)Cc2ccccn2)C1
342084529	ZINC000625348666	ref	3.26	-10.08	0	296.392	1.229	1	3	3	Cc1cccc2c1C[C@H](NS(=O)(=O)N1CCCC1)CO2
365625358	ZINC000354685278	ref	4.33	-8.63	0	284.278	1.826	2	3	6	CCOC(=O)C[C@@H](C)CNC(=O)N[C@@H](C)C(F)(F)F
365625362	ZINC000354685693	ref	3.24	-11.57	0	269.385	1.859	2	3	5	CCOC1CC(C(=O)NC[C@]2(C)CCCC[C@@H]2O)C1
365625370	ZINC000354686236	ref	7.01	-40.6	1	288.395	1.954	1	3	2	C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cncnc2)C1
214178420	ZINC000293492740	ref	3.74	-48.78	1	373.45	0.445	1	6	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2CN(C)CCN2C)c(C)cc1F
365625374	ZINC000354684504	ref	2.71	-12.55	0	259.252	1.789	2	3	7	O=C(COC(F)F)Nc1cccc(CCCO)c1
230740362	ZINC000414353385	ref	5.47	-7.54	0	312.841	3.302	2	3	7	CCOc1ccc(Cl)cc1[C@H](C)N[C@H](C)C(=O)NC(C)C
230740365	ZINC000414353385	mid	6.46	-33.54	1	312.841	3.302	2	2	7	CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H](C)C(=O)NC(C)C
214178424	ZINC000293492740	low	4.18	-48.21	1	373.45	0.445	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C)cc1F
365625379	ZINC000354685700	ref	3.24	-11.36	0	269.385	1.859	2	3	5	CCOC1CC(C(=O)NC[C@@]2(C)CCCC[C@H]2O)C1
185090981	ZINC000096081334	low	7.26	-55.28	1	297.362	1.195	1	4	3	Cn1ccnc1C[N@@H+]1CC[C@H]2[C@@H]1CC(=O)N2c1cccnc1
342084530	ZINC000608908124	ref	8.42	-20.41	0	279.34	1.075	0	5	5	COC(=O)[C@@H]1CCCN(C(=O)CCCn2ccnc2)C1
185090982	ZINC000096081334	low	7.09	-55.76	1	297.362	1.195	1	4	3	Cn1ccnc1C[N@H+]1CC[C@H]2[C@@H]1CC(=O)N2c1cccnc1
185090983	ZINC000096081683	ref	-0.36	-7.85	0	280.372	-0.048	0	6	5	COCCN1CCO[C@H]2CN(Cc3cnn(C)c3)C[C@H]21
365625381	ZINC000354685087	ref	1.91	-11.84	0	258.362	1.215	2	3	6	C[C@@H](CO)CCCNC(=O)N(C)[C@@H]1CCCOC1
365625384	ZINC000354685186	ref	4.55	-8.87	0	255.358	1.734	1	3	7	C[C@@H]1C[C@@H]1CC(=O)NCCCOC1CCOCC1
365625389	ZINC000354684780	ref	3.96	-4.96	0	296.411	1.613	2	3	3	C[C@H]1OCC[C@H]1NC(=O)C(=O)NCC1CCC(C)(C)CC1
365625394	ZINC000354686396	ref	6.86	-35.33	1	258.406	1.584	2	2	9	CCCN(CC[NH+](CC)CC)C(=O)[C@H](O)C(C)C
365625398	ZINC000367179227	ref	1.72	-10.16	0	278.736	1.414	1	2	2	NS(=O)(=O)N1CC[C@](F)(c2cccc(Cl)c2)C1
342084531	ZINC000608908124	low	8.93	-43.9	1	279.34	1.075	0	4	5	COC(=O)[C@@H]1CCCN(C(=O)CCCn2cc[nH+]c2)C1
343994591	ZINC000599271948	ref	3.2	-10.82	0	277.415	1.148	1	5	6	CC[C@@H](CSC)NS(=O)(=O)c1cnc(C)n1C
365625402	ZINC000354685083	ref	2.25	-15.71	0	286.275	1.825	1	4	6	CC[C@@H](CC(F)(F)F)NS(=O)(=O)Cc1ccon1
398247253	ZINC000381281344	high	-3.18	-50.98	1	215.297	-1.19	4	3	5	CCC[C@H](N)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O
342084532	ZINC000625348020	ref	4.12	-12.13	0	295.404	1.887	1	3	4	CC1(C)[C@@H](NS(=O)(=O)[C@@H]2CCOC2)[C@@H]1c1ccccc1
370645426	ZINC000356292234	high	6.7	-8.35	0	292.427	2.329	0	4	7	CC[C@H](C)n1nc(C(=O)N(CCN(C)C)C2CC2)cc1C
365625368	ZINC000274326798	ref	4.04	-8.1	0	251.33	1.732	2	3	4	CC(C)O[C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1(C)C
370645434	ZINC000356294193	ref	6.65	-12.58	0	267.279	2.301	0	3	4	CCN(CC(F)F)C(=O)c1c2ccccc2nn1C
342084533	ZINC000608909444	ref	6.38	-18.38	0	274.284	1.317	1	7	3	Cc1nc2n(n1)C[C@H](Nc1cccnc1[N+](=O)[O-])CC2
342084534	ZINC000057375798	ref	4.74	-17.12	0	268.361	1.389	2	4	10	COCCCCNC(=O)NCCCCn1ccnc1
342084535	ZINC000057375798	low	5.24	-42.0	1	268.361	1.389	2	3	10	COCCCCNC(=O)NCCCCn1cc[nH+]c1
342084536	ZINC000608925545	ref	4.54	-13.36	0	294.274	1.566	2	7	3	N#Cc1cnn(-c2ccc(C(=O)Nc3cnoc3)cc2)c1N
365625373	ZINC000274327679	ref	4.65	-14.19	0	279.384	1.797	2	2	4	CN1C[C@H](NC(=O)NCCC2=CCCCCC2)CC1=O
342084537	ZINC000608908415	ref	6.58	-14.78	0	257.33	1.213	0	4	5	CCO[C@@H](CC)C(=O)N1CCC[C@@H](C(=O)OC)C1
342084538	ZINC000608909440	ref	6.39	-17.11	0	279.325	1.983	1	7	3	Cc1nc2n(n1)C[C@@H](Nc1ccc([N+](=O)[O-])s1)CC2
342084539	ZINC000625347618	ref	3.61	-11.58	0	297.367	1.576	0	3	3	C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCOC2)C[C@@H](C)C1(F)F
185090984	ZINC000096081683	mid	2.59	-40.68	1	280.372	-0.048	1	5	5	COCCN1CCO[C@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]21
185090985	ZINC000096081683	mid	2.6	-40.1	1	280.372	-0.048	1	5	5	COCCN1CCO[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]21
398247256	ZINC000649444386	ref	8.0	-4.24	0	232.323	3.797	0	2	5	C=C(C)c1ccc(OC)c(COC2CCC2)c1
185090986	ZINC000096081683	low	3.02	-38.54	1	280.372	-0.048	1	5	5	COCC[N@@H+]1CCO[C@H]2CN(Cc3cnn(C)c3)C[C@H]21
185090987	ZINC000096081683	low	1.8	-35.49	1	280.372	-0.048	1	5	5	COCC[N@H+]1CCO[C@H]2CN(Cc3cnn(C)c3)C[C@H]21
282120876	ZINC000335272508	ref	7.4	-49.3	1	254.374	1.354	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC(C)(C)O2)C1
343994592	ZINC000079943179	ref	5.98	-44.09	1	293.411	2.087	2	3	10	CC[C@@H](C)[N@H+](C)CCNC(=O)CCCOc1cccnc1
168365742	ZINC000127412526	ref	2.73	-35.6	1	184.283	0.981	1	1	3	C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)C1CCC1
282120881	ZINC000362045124	ref	10.67	-46.75	1	328.42	1.742	2	4	5	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2Cn2cncn2)C1
398247259	ZINC000649444456	ref	7.75	-7.38	0	244.338	3.321	0	3	4	Cc1c(-c2ccc(COC(C)C)cc2)cnn1C
370645442	ZINC000356293336	ref	5.24	-10.08	0	271.401	2.467	0	3	9	CCC[C@@](C)(CC)C(=O)N1CC(OCCCOC)C1
178295028	ZINC000100402064	mid	5.12	-53.97	-1	215.252	1.962	0	3	0	Cc1cc2c3c(c1)c([O-])cc(=O)n3CCC2
185090991	ZINC000096081098	ref	7.85	-41.22	1	281.403	2.579	2	1	4	c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccc[nH]4)C[C@H]3C2)cc1
178295034	ZINC000285365297	ref	7.43	-40.36	1	214.312	2.976	2	0	4	Cc1cc2cc(C[NH2+]CC3CC3)ccc2[nH]1
349533552	ZINC000093257139	ref	0.63	-10.35	0	283.397	0.904	1	4	5	CCNS(=O)(=O)[C@H]1CCN(Cc2ncccc2C)C1
178295037	ZINC000353145178	ref	7.01	-43.62	1	240.306	3.359	2	1	4	Cc1cc2cc(C[NH2+]Cc3ccco3)ccc2[nH]1
185090992	ZINC000096081098	low	10.23	-107.48	2	281.403	2.579	3	0	4	c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccc[nH]4)C[C@H]3C2)cc1
185090993	ZINC000096080677	ref	6.88	-15.78	0	299.374	1.298	0	3	3	O=C(C1CCC1)N1C[C@H]2C(=O)N(Cc3ccncc3)C[C@H]2C1
349533554	ZINC000093257139	mid	3.37	-44.09	1	283.397	0.904	2	3	5	CCNS(=O)(=O)[C@H]1CC[N@H+](Cc2ncccc2C)C1
349533556	ZINC000093257139	mid	3.47	-45.04	1	283.397	0.904	2	3	5	CCNS(=O)(=O)[C@H]1CC[N@@H+](Cc2ncccc2C)C1
349533557	ZINC000093256665	ref	1.8	-8.31	0	267.373	0.015	0	4	2	CN1CCN(C(=O)CN2CCOC3(CCC3)C2)CC1
178295041	ZINC000353145178	mid	5.64	-7.01	0	240.306	3.359	2	2	4	Cc1cc2cc(CNCc3ccco3)ccc2[nH]1
349533560	ZINC000093256665	mid	4.15	-45.73	1	267.373	0.015	1	3	2	C[NH+]1CCN(C(=O)CN2CCOC3(CCC3)C2)CC1
343994593	ZINC000599271322	ref	2.79	-10.1	0	281.443	1.615	1	4	6	CC[C@H](CSC)NS(=O)(=O)[C@@H]1COC(C)(C)C1
349533561	ZINC000093256665	low	6.35	-99.4	2	267.373	0.015	2	2	2	C[NH+]1CCN(C(=O)C[N@@H+]2CCOC3(CCC3)C2)CC1
342599583	ZINC000590834126	ref	5.01	-42.51	-1	294.355	1.631	1	4	3	COC(=O)c1ccc(=NC(=O)N[C@H](C)CC(C)(C)C)[n-]n1
342599584	ZINC000616994394	ref	7.97	-12.43	0	289.339	1.284	0	7	3	CC(C)OC(=O)[C@@H]1CCCN1c1ncnc2c1ncn2C
185090996	ZINC000096081258	ref	5.87	-14.95	0	276.361	1.749	0	3	3	C=CCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1ccsc1
185090997	ZINC000096081300	ref	6.73	-14.25	0	289.335	1.208	0	4	3	Cc1oncc1C(=O)N1CC[C@@H]2[C@H]1CC(=O)N2CC1CC1
190492513	ZINC000269413820	ref	7.51	-8.33	0	294.351	2.14	0	5	3	COC(=O)C[C@H]1CCCN1C(=O)c1cc(C(C)(C)C)on1
342599585	ZINC000590833297	ref	5.78	-13.71	0	295.358	1.983	1	3	2	N#C[C@]1(F)CCN(C(=O)NC[C@H]2CCOC3(CCC3)C2)C1
178295043	ZINC000000429812	ref	5.59	-8.96	0	230.311	3.589	2	1	3	Cc1cc2cc(CNC(=O)C(C)C)ccc2[nH]1
342599586	ZINC000590834679	ref	4.55	-22.03	0	275.308	2.0	1	4	3	COc1cc(NC(=O)N2CC(C#N)C2)c(C)c(OC)c1
282120877	ZINC000192701087	high	6.34	-13.58	0	341.477	2.656	2	6	8	CCC(CC)(CN[C@@H](C)C(=O)Nc1nc(C)c(C)s1)C(=O)OC
349533553	ZINC000621226598	ref	4.47	-7.4	0	269.307	2.488	2	2	6	CC[C@H](C)[C@H](O)C(=O)NCC(C)(C)CC(F)(F)F
282120878	ZINC000183880710	ref	9.46	-53.37	1	288.391	3.188	1	3	7	CCC(CC)(C[NH2+][C@@H](C)c1ccc(C#N)cc1)C(=O)OC
349533555	ZINC000621228019	ref	5.15	-9.61	0	293.798	2.058	1	3	4	O=C(CNc1ccccc1Cl)N1CCN(C2CC2)CC1
214178428	ZINC000293492740	low	4.18	-48.21	1	373.45	0.445	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@H]2C[N@@H+](C)CCN2C)c(C)cc1F
349533558	ZINC000621228019	mid	7.49	-45.26	1	293.798	2.058	2	2	4	O=C(CNc1ccccc1Cl)N1CC[NH+](C2CC2)CC1
349533559	ZINC000621227431	ref	3.85	-13.41	0	263.263	2.047	2	2	5	CC(C)(CNC(=O)Cc1cc[nH]n1)CC(F)(F)F
349533562	ZINC000621225859	ref	5.86	-9.63	0	263.263	2.128	1	3	4	Cn1cncc1C(=O)NCC(C)(C)CC(F)(F)F
342599587	ZINC000590833411	ref	5.35	-19.35	0	295.774	1.909	1	4	2	Cn1cc(Cl)c(CNC(=O)N2CCC[C@@](C)(C#N)C2)n1
197599206	ZINC000290112901	ref	5.56	-9.15	0	285.347	3.381	1	4	4	CC(C)C[C@@H](C)c1nc(-c2ccc3c(c2)CC(=O)N3)no1
342599588	ZINC000590833545	ref	6.17	-17.62	0	285.307	1.64	3	4	2	Cc1nc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)n[nH]1
185090998	ZINC000096081552	ref	2.3	-19.96	0	290.319	-0.036	1	4	3	COc1cccc(CC(=O)N2C[C@@H]3OCC(=O)N[C@@H]3C2)c1
342599589	ZINC000590833545	mid	6.67	-14.09	0	285.307	1.64	3	4	2	Cc1nnc(NC(=O)c2ccc3c(c2)CCCC(=O)N3)[nH]1
365625383	ZINC000625042639	ref	6.03	-15.71	0	302.418	2.304	2	2	5	Cc1ccccc1C(C)(C)CNC(=O)[C@@H](C)[C@H]1CCC(=O)N1
342599590	ZINC000590833545	mid	6.17	-12.79	0	285.307	1.64	3	4	2	Cc1n[nH]c(NC(=O)c2ccc3c(c2)CCCC(=O)N3)n1
214178430	ZINC000293489183	ref	3.34	-22.01	0	367.402	0.016	3	7	7	CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@@H](CC)C(C)(C)O)c1=O
214178437	ZINC000293498432	ref	-0.39	-22.32	0	361.402	0.816	3	7	7	CC(C)(C)Oc1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)nc1
342599591	ZINC000590834455	ref	5.12	-21.39	0	288.307	1.057	1	6	3	Cc1cc(NC(=O)Cn2nc3c(cc2=O)CCCC3)on1
342599592	ZINC000616994389	ref	6.25	-11.62	0	275.352	1.886	0	5	3	CC(C)OC(=O)[C@@H]1CCCN1c1cc2c(nn1)CCC2
349533565	ZINC000621227868	ref	6.19	-35.64	1	268.323	2.421	2	1	6	CC[C@@H](C(=O)NCC(C)(C)CC(F)(F)F)[NH+](C)C
259308876	ZINC000187713901	ref	9.58	-42.05	1	235.375	2.955	1	2	4	CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1
349533566	ZINC000621227868	high	4.02	-6.02	0	268.323	2.421	1	2	6	CC[C@@H](C(=O)NCC(C)(C)CC(F)(F)F)N(C)C
178295036	ZINC000082790205	ref	2.36	-53.52	1	292.198	1.818	1	2	4	C[C@H](C[NH3+])CS(=O)(=O)c1ccccc1Br
342084540	ZINC000625347616	ref	5.64	-9.86	0	280.343	1.676	0	3	4	CO[C@H](CN1CCN(C)C(=O)[C@@H]1C)c1ccc(F)cc1
365625386	ZINC000625044140	ref	9.3	-47.11	1	304.434	2.358	2	2	6	Cc1ccc(CO[C@H](C)C(=O)NCC2CC[NH+](C)CC2)cc1
365625390	ZINC000625043443	ref	4.52	-39.35	1	312.417	2.111	1	4	5	COc1cncc(CN2CC[NH+](Cc3ccccc3C)CC2)n1
365625391	ZINC000625043443	mid	2.2	-5.3	0	312.417	2.111	0	5	5	COc1cncc(CN2CCN(Cc3ccccc3C)CC2)n1
342084541	ZINC000625347616	low	6.49	-48.89	1	280.343	1.676	1	2	4	CO[C@H](C[N@@H+]1CCN(C)C(=O)[C@@H]1C)c1ccc(F)cc1
365625395	ZINC000625042774	ref	2.56	-9.07	0	306.391	2.437	2	6	7	COCC[C@@H](C)NC(=O)c1ncsc1Nc1cccnc1
365625397	ZINC000625042873	ref	7.47	-19.17	0	319.449	2.362	1	2	2	C[C@@H]1CC[C@@]2(CCN(C(=O)N[C@H]3CCN(C4CCC4)C3=O)C2)C1
230740383	ZINC000425558276	ref	4.67	-9.09	0	311.407	2.334	2	5	5	COC(=O)c1cnc([C@H](C)NC(=O)N[C@@H]2C[C@H]2C(C)C)s1
365625400	ZINC000625044181	ref	1.68	-7.18	0	304.316	2.017	0	5	4	FC(F)(F)CN1CCN(Cc2noc(C3CCC3)n2)CC1
365625405	ZINC000625044585	ref	3.62	-11.23	0	319.467	2.07	1	4	6	CCOC1(CS(=O)(=O)N[C@@H]2CCCC2(C)C)CCOCC1
187334641	ZINC000127814893	ref	8.53	-37.35	1	272.392	3.296	2	2	7	Cc1ccc(-c2ccc(CNCCC[NH+](C)C)o2)cc1
365625408	ZINC000625042004	ref	8.32	-21.08	0	315.417	2.29	1	2	4	Cc1ccccc1CN(C)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365625412	ZINC000625044436	ref	6.53	-17.76	0	307.419	2.043	1	3	4	CN(Cc1cccs1)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365625415	ZINC000625044458	ref	4.4	-32.88	1	310.825	2.342	2	3	4	Oc1ccc(Cl)c(CN2CC[NH+](C[C@H]3CCCO3)CC2)c1
342084542	ZINC000625347616	low	6.89	-48.96	1	280.343	1.676	1	2	4	CO[C@H](C[N@H+]1CCN(C)C(=O)[C@@H]1C)c1ccc(F)cc1
365625417	ZINC000625044458	mid	2.15	-5.48	0	310.825	2.342	1	4	4	Oc1ccc(Cl)c(CN2CCN(C[C@H]3CCCO3)CC2)c1
282120879	ZINC000171103594	ref	4.27	-14.64	0	317.324	0.795	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(F)c1)CC2
342084543	ZINC000625347630	ref	4.43	-7.09	0	298.427	1.371	0	4	6	CC(C)CN1CCN(CCOC2CCOCC2)[C@@H](C)C1=O
342084544	ZINC000625347630	low	6.65	-43.68	1	298.427	1.371	1	3	6	CC(C)CN1CC[N@H+](CCOC2CCOCC2)[C@@H](C)C1=O
282120880	ZINC000171103502	ref	5.55	-13.12	0	327.388	1.273	2	5	2	Cc1cc(C)cc(NC(=O)C(=O)N[C@@H]2CCc3nc(C)nn3C2)c1
185090999	ZINC000096081395	ref	9.14	-44.35	1	264.413	2.365	1	1	2	CC(C)[N@@H+]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1
185091000	ZINC000096081395	mid	8.79	-40.78	1	264.413	2.365	1	1	2	CC(C)[N@H+]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1
432002779	ZINC000129265295	ref	9.1	-13.17	0	315.344	3.317	0	3	4	C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cc1ccc2c(c1)OCO2
349533563	ZINC000093256665	low	6.35	-99.65	2	267.373	0.015	2	2	2	C[NH+]1CCN(C(=O)C[N@H+]2CCOC3(CCC3)C2)CC1
295666639	ZINC000342820780	ref	6.51	-8.11	0	348.468	2.035	2	4	5	O=C(NC[C@@H]1CCCS1)C(=O)N[C@@H](c1ccccc1)[C@@H]1CCCO1
185091002	ZINC000096080016	ref	6.3	-15.83	0	258.321	1.669	2	2	3	CC(C)CNC(=O)[C@H]1C[C@@]12C(=O)Nc1ccccc12
282120886	ZINC000493226787	ref	4.9	-18.28	0	272.312	0.454	2	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C=Cc1c[nH]cn1)CC2
185091004	ZINC000096081539	ref	3.33	-17.83	0	291.351	0.447	1	4	3	CNC(=O)[C@@H]1C[C@H]2CN(Cc3ccco3)C[C@H]2N1C(C)=O
190597635	ZINC000270094255	ref	6.86	-13.62	0	277.368	1.769	0	4	4	Cc1c(/C=C/C(=O)N(C)C[C@H]2CCCCO2)cnn1C
365625388	ZINC000258649037	low	4.9	-97.05	2	261.373	1.759	2	3	5	[NH3+]CC[C@@H]1CCCCN1c1cc(NC2CC2)[nH+]cn1
365625393	ZINC000258649037	low	4.61	-94.32	2	261.373	1.759	2	3	5	[NH3+]CC[C@@H]1CCCCN1c1cc(NC2CC2)nc[nH+]1
185091005	ZINC000096081539	mid	4.29	-52.24	1	291.351	0.447	2	3	3	CNC(=O)[C@@H]1C[C@H]2C[N@H+](Cc3ccco3)C[C@H]2N1C(C)=O
342084545	ZINC000625347630	low	6.24	-44.07	1	298.427	1.371	1	3	6	CC(C)CN1CC[N@@H+](CCOC2CCOCC2)[C@@H](C)C1=O
342084546	ZINC000608908654	ref	5.05	-8.01	0	269.341	1.215	0	4	2	COC(=O)[C@H]1CCCN(C(=O)C2(C)CCOCC2)C1
178295048	ZINC000082790063	ref	1.05	-55.33	1	263.384	1.276	1	4	7	CCO[C@@H](C[NH3+])CCS(=O)(=O)c1cccs1
342088564	ZINC000121478697	ref	6.55	-18.5	0	268.32	1.874	2	3	4	Cn1cncc1CCNC(=O)c1ccc2[nH]ccc2c1
342088565	ZINC000121478697	low	7.06	-42.89	1	268.32	1.874	2	2	4	Cn1c[nH+]cc1CCNC(=O)c1ccc2[nH]ccc2c1
190492520	ZINC000269408588	ref	3.17	-22.56	0	254.286	-0.3	1	4	5	C=CC(=O)NCCC(=O)N1CC[C@@H](C(=O)OC)C1
342088566	ZINC000121507643	ref	-0.45	-4.76	0	295.223	1.545	2	3	3	O[C@H](CN1CCC([C@@H](O)C(F)(F)F)CC1)C(F)(F)F
342088567	ZINC000121507643	mid	1.83	-44.41	1	295.223	1.545	3	2	3	O[C@H](C[NH+]1CCC([C@@H](O)C(F)(F)F)CC1)C(F)(F)F
342088568	ZINC000121525449	ref	5.11	-6.44	0	261.325	1.472	1	4	3	Cc1cc(C(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ncn1
342088569	ZINC000121465860	ref	7.71	-20.7	0	279.384	1.864	1	4	9	CC(=O)[C@@H](C)CCCCC(=O)NCCc1cncn1C
199273208	ZINC000181261199	high	6.0	-8.69	0	318.461	3.034	1	3	6	CC[C@@H](C(=O)N[C@H]1CN(C(C)C)C[C@@H]1C)c1ccc(OC)cc1
178295046	ZINC000039110153	ref	9.88	-7.77	0	219.287	3.978	0	1	0	Cc1cc2c3c(ccn3Cc3ccccc3-2)c1
365625396	ZINC000330565114	ref	-0.54	-8.39	0	279.34	1.056	1	5	4	COc1ncc(C)cc1NC(=O)[C@@H]1C[C@H](OC)CN1C
398247260	ZINC000649444446	ref	1.49	-7.87	0	249.217	2.561	1	4	2	COc1nscc1-c1cc(C(F)(F)F)[nH]n1
178295058	ZINC000090411870	ref	5.29	-7.21	0	204.225	2.787	0	3	1	Cc1cc2cc(C3OCCO3)ccc2o1
230740385	ZINC000450463133	ref	4.48	-10.16	0	314.389	1.714	2	5	7	CCc1ccc([C@H](CO)NC(=O)c2cn(CC3CC3)nn2)cc1
365625401	ZINC000330565114	low	2.34	-37.72	1	279.34	1.056	2	4	4	COc1ncc(C)cc1NC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C
178295064	ZINC000032249542	ref	6.27	-4.23	0	211.058	3.504	0	1	0	Cc1cc2cc(Br)ccc2o1
398247263	ZINC000649444446	mid	1.35	-6.7	0	249.217	2.561	1	4	2	COc1nscc1-c1cc(C(F)(F)F)n[nH]1
199273210	ZINC000181264684	ref	8.24	-9.45	0	319.445	2.922	0	3	6	COCCOCCC(=O)N1CCc2ccc(C(C)(C)C)cc2C1
199273212	ZINC000181261222	ref	9.25	-38.63	1	320.481	3.011	2	3	6	CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C
178305213	ZINC000237267810	ref	9.38	-64.23	-1	367.405	1.945	1	6	8	COc1ccccc1C[C@H](CNC(=O)Cc1cn2ccccc2n1)C(=O)[O-]
178305218	ZINC000237267810	low	9.75	-50.42	0	367.405	1.945	1	5	8	COc1ccccc1C[C@H](CNC(=O)Cc1cn2ccccc2[nH+]1)C(=O)[O-]
343994594	ZINC000079943179	mid	5.95	-43.68	1	293.411	2.087	2	3	10	CC[C@@H](C)[N@@H+](C)CCNC(=O)CCCOc1cccnc1
178305221	ZINC000237277615	ref	6.78	-43.06	1	360.483	1.729	2	5	6	COc1ccccc1[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1nccn1C
199273213	ZINC000181261222	mid	9.02	-38.21	1	320.481	3.011	2	3	6	CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C
185091006	ZINC000096081539	mid	4.39	-53.52	1	291.351	0.447	2	3	3	CNC(=O)[C@@H]1C[C@H]2C[N@@H+](Cc3ccco3)C[C@H]2N1C(C)=O
185091007	ZINC000096080635	ref	8.05	-45.65	1	275.356	-0.067	1	4	4	C[NH+](C)CCN1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1=O
185091008	ZINC000096080635	high	5.58	-12.3	0	275.356	-0.067	0	5	4	CN(C)CCN1C[C@@H]2CN(c3ncccn3)C[C@@H]2C1=O
343994595	ZINC000079940338	ref	7.3	-44.17	1	289.423	2.401	3	1	6	CC(C)NC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1
343994597	ZINC000079940338	mid	8.1	-43.58	1	289.423	2.401	3	1	6	CC(C)NC(=O)NC[C@@H]1CCC[N@H+]1CCc1ccccc1
365625404	ZINC000122173788	high	6.21	-18.46	0	286.379	2.344	1	4	5	Cc1cccc(NC(=O)[C@@H]2CCCN(CCCC#N)C2)n1
168365390	ZINC000368507596	mid	6.41	-47.8	1	333.378	3.196	3	2	5	O[C@@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](CC[C@@H](O)c2ccccc2)C1
365625410	ZINC000122126291	ref	5.73	-39.4	1	251.292	2.422	2	1	2	C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)C(F)(F)F)C2)C1
365625414	ZINC000122126291	mid	5.47	-39.14	1	251.292	2.422	2	1	2	C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H](O)C(F)(F)F)C2)C1
365625419	ZINC000122126291	high	2.95	-2.48	0	251.292	2.422	1	2	2	C[C@@H]1CC[C@@]2(CCN(C[C@H](O)C(F)(F)F)C2)C1
342084547	ZINC000625348564	ref	2.29	-8.04	0	292.383	1.174	0	5	5	COc1cncc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)n1
342084548	ZINC000608933350	ref	5.68	-15.86	0	297.694	1.816	1	5	3	COC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2
365625422	ZINC000122063871	ref	2.66	-12.05	0	293.373	2.054	1	5	4	C[C@H](NS(=O)(=O)c1ccc(C#N)nc1)c1ccsc1
178295053	ZINC000082790073	ref	2.28	-48.96	1	259.396	2.039	1	3	3	[NH3+]C[C@H]1CCCC[C@H]1S(=O)(=O)c1cccs1
342084549	ZINC000625347834	ref	7.74	-50.06	1	293.411	1.573	1	4	6	C[N@H+](CCOC1CCOCC1)C[C@@H]1CCc2nccn2C1
365625429	ZINC000122085750	ref	5.26	-11.59	0	250.342	2.024	1	3	3	CC(C)(C)[C@@H](C#N)NC(=O)/C=C/C1CCOCC1
365625434	ZINC000122071322	ref	5.01	-8.88	0	279.347	2.384	1	5	3	CN1CC[C@H](CNc2cnc(C#N)cn2)c2ccccc21
365625441	ZINC000122110418	ref	6.47	-49.48	-1	293.33	2.349	1	5	3	CCc1cc(C([O-])=C(C#N)c2nc3ccccc3n2C)n[nH]1
365625445	ZINC000122110418	mid	7.16	-17.78	0	293.33	2.349	1	5	4	CCc1cc(C(=O)C(C#N)c2nc3ccccc3n2C)n[nH]1
365625446	ZINC000122110418	low	7.13	-17.91	0	293.33	2.349	1	5	4	CCc1cc(C(=O)[C@H](C#N)c2nc3ccccc3n2C)n[nH]1
365625450	ZINC000122028330	ref	7.19	-55.68	-1	265.334	2.06	1	4	3	C[C@@H](C(=O)[O-])C(=O)N[C@H]1CCSc2ccccc21
365625456	ZINC000122173058	ref	7.14	-20.56	0	298.35	2.071	1	5	5	Cc1cc(NC(=O)N(CCC#N)Cc2ccccn2)nn1C
230740417	ZINC000414354892	ref	6.62	-8.79	0	323.343	3.15	1	5	6	CC(C)Cn1ccnc1CNCc1cccc2c1OC(F)(F)O2
185091009	ZINC000096081096	ref	7.8	-42.39	1	281.403	2.579	2	1	4	c1ccc(C[N@H+]2C[C@@H]3CN(Cc4ccc[nH]4)C[C@@H]3C2)cc1
230740420	ZINC000414354892	low	8.03	-45.66	1	323.343	3.15	1	4	6	CC(C)Cn1ccnc1C[NH2+]Cc1cccc2c1OC(F)(F)O2
365625461	ZINC000122046054	ref	7.36	-11.95	0	268.401	2.282	0	2	5	CC[C@@H](C)CN(CC)C(=O)[C@H]1CCCCN1C(C)=O
365625464	ZINC000122084602	ref	6.23	-14.1	0	284.425	2.343	1	4	5	CC(C)(C)[C@@H](C#N)NC(=O)CSC[C@H]1CCCCO1
185091010	ZINC000096081096	mid	7.78	-41.93	1	281.403	2.579	2	1	4	c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccc[nH]4)C[C@@H]3C2)cc1
185091011	ZINC000096081096	low	10.44	-109.63	2	281.403	2.579	3	0	4	c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccc[nH]4)C[C@H]3C2)cc1
185091012	ZINC000096081096	low	10.38	-109.03	2	281.403	2.579	3	0	4	c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccc[nH]4)C[C@H]3C2)cc1
185091013	ZINC000096081096	low	10.4	-108.13	2	281.403	2.579	3	0	4	c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccc[nH]4)C[C@H]3C2)cc1
185091014	ZINC000096081096	low	10.38	-109.03	2	281.403	2.579	3	0	4	c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccc[nH]4)C[C@H]3C2)cc1
185091015	ZINC000096080903	ref	5.7	-49.71	1	277.368	0.941	2	2	5	COCCC(=O)N1C[C@@H]2C[NH+](Cc3ccc[nH]3)C[C@H]2C1
342599593	ZINC000590833442	ref	5.66	-23.96	0	289.291	1.469	1	5	3	COC(=O)c1ccc(NC(=O)N2CC(C#N)C2)cc1OC
342599594	ZINC000590833392	ref	1.31	-18.43	0	289.378	1.229	1	5	5	NS(=O)(=O)CCCSc1ccc2c(c1)OCCO2
185091016	ZINC000096080903	high	3.14	-9.9	0	277.368	0.941	1	3	5	COCCC(=O)N1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H]2C1
185091017	ZINC000096081261	ref	5.93	-51.66	1	291.351	0.543	1	3	4	CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccco1
168365391	ZINC000368507596	mid	3.33	-7.64	0	333.378	3.196	2	3	5	O[C@@H]1C[C@H](c2ccc(F)c(F)c2)N(CC[C@@H](O)c2ccccc2)C1
185091018	ZINC000096081261	mid	6.24	-53.33	1	291.351	0.543	1	3	4	CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1ccco1
168365393	ZINC000368506621	ref	11.56	-51.42	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21
185091019	ZINC000096081261	mid	3.83	-17.79	0	291.351	0.543	0	4	4	CN(C)C(=O)CN1C(=O)C[C@@H]2[C@@H]1CCN2Cc1ccco1
185091020	ZINC000096080807	ref	5.12	-49.31	1	298.408	1.301	1	3	4	CCS(=O)(=O)N1C[C@@H]2C[NH+](Cc3ccc(C)o3)C[C@H]2C1
342599595	ZINC000590833582	ref	4.46	-16.12	0	256.216	1.037	2	5	3	Cc1nc(NC(=O)c2cnn(C)c2C(F)F)n[nH]1
342599596	ZINC000590833582	mid	4.97	-12.68	0	256.216	1.037	2	5	3	Cc1nnc(NC(=O)c2cnn(C)c2C(F)F)[nH]1
342599597	ZINC000590833582	mid	4.48	-11.34	0	256.216	1.037	2	5	3	Cc1n[nH]c(NC(=O)c2cnn(C)c2C(F)F)n1
197599232	ZINC000162903835	ref	5.48	-18.07	0	319.409	1.159	1	4	2	Cc1cnn([C@H]2CCCN(C(=O)N[C@@H]3CCC(=O)N(C)C3)C2)c1
136228693	ZINC000283942226	mid	7.81	-34.95	1	242.366	1.868	1	1	4	C#CCCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1
342599598	ZINC000590834747	ref	5.04	-15.41	0	263.341	1.665	1	3	2	C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1
178295055	ZINC000082790078	ref	8.13	-39.36	1	268.36	2.706	2	2	4	Nc1cccc2c1C[N@H+](CCOc1ccccc1)CC2
214178434	ZINC000053359239	ref	7.59	-19.03	0	331.437	3.21	0	3	5	CCN(C(=O)[C@H](C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
214178440	ZINC000053361343	ref	5.25	-11.63	0	330.434	3.998	2	5	3	O=C(CSC1=Nc2ccccc2CS1)Nc1ccc(O)cc1
178295056	ZINC000082790078	mid	8.11	-39.07	1	268.36	2.706	2	2	4	Nc1cccc2c1C[N@@H+](CCOc1ccccc1)CC2
178295057	ZINC000082790078	high	5.8	-6.48	0	268.36	2.706	1	3	4	Nc1cccc2c1CN(CCOc1ccccc1)CC2
178295059	ZINC000082790086	ref	1.08	-53.3	1	273.301	1.802	1	3	4	[NH3+]CC[C@H](C(F)(F)F)S(=O)(=O)c1cccs1
178295060	ZINC000082790077	ref	10.0	-39.82	1	266.388	3.26	2	1	4	Nc1cccc2c1C[N@H+](CCCc1ccccc1)CC2
178295061	ZINC000082790077	mid	9.99	-39.89	1	266.388	3.26	2	1	4	Nc1cccc2c1C[N@@H+](CCCc1ccccc1)CC2
342084550	ZINC000625347834	mid	7.77	-49.76	1	293.411	1.573	1	4	6	C[N@@H+](CCOC1CCOCC1)C[C@@H]1CCc2nccn2C1
342084551	ZINC000625347834	mid	8.21	-89.45	2	293.411	1.573	1	3	6	C[N@H+](CCOC1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1
342084552	ZINC000625347834	mid	8.23	-90.42	2	293.411	1.573	1	3	6	C[N@@H+](CCOC1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1
365625406	ZINC000330565114	low	1.91	-40.35	1	279.34	1.056	2	4	4	COc1ncc(C)cc1NC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C
343994596	ZINC000599271307	ref	5.85	-14.32	0	273.279	1.715	1	4	6	CCOC(=O)C[C@@H](O)CN(C)c1ccc(F)c(F)c1
342084553	ZINC000127097490	ref	1.14	-18.9	0	251.261	1.274	3	2	3	Cc1cc(F)cc(NC(=O)NC2(C(N)=O)CC2)c1
342084554	ZINC000608933805	ref	8.15	-16.45	0	275.348	1.935	1	3	7	COC(=O)[C@@H]1C[C@@H]1C(=O)NCCCCc1ccccc1
342084555	ZINC000608933749	ref	7.28	-17.57	0	279.34	1.677	1	5	6	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccnn1CCC(C)C
342084556	ZINC000608934420	ref	5.51	-15.19	0	283.305	1.282	1	6	4	COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C(=O)OC)s1
342084557	ZINC000608934419	ref	5.48	-12.45	0	283.305	1.282	1	6	4	COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C(=O)OC)s1
342084558	ZINC000608920465	ref	7.2	-42.83	1	273.446	1.865	2	2	6	CCC[NH+]1CCC(N(C)C(=O)NCCSC)CC1
342084559	ZINC000608932802	ref	6.32	-21.0	0	291.303	1.595	1	5	3	COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2
342084560	ZINC000608932323	ref	5.59	-17.88	0	260.253	1.889	1	5	3	Cc1ccc(NC(=O)c2ccn(C)n2)cc1[N+](=O)[O-]
349533564	ZINC000093232508	ref	2.76	-59.05	1	271.386	0.865	1	4	4	Cn1nccc1C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1
342599599	ZINC000590834744	ref	5.01	-16.31	0	263.341	1.665	1	3	2	C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1
342599600	ZINC000590834475	ref	5.84	-12.68	0	288.351	1.896	0	6	5	CCCCc1nc(Cn2nc3c(cc2=O)CCCC3)no1
342599601	ZINC000590833702	ref	4.3	-9.4	0	281.287	1.684	2	4	3	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1cncc(F)c1
342599602	ZINC000590834775	ref	3.96	-12.95	0	255.293	1.201	1	3	2	CO[C@@H]1CCC[C@H]1NC(=O)N1CC[C@](F)(C#N)C1
342599603	ZINC000616994404	ref	5.97	-11.78	0	279.34	1.714	0	6	4	COc1cc(C)nc(N2CCC[C@H]2C(=O)OC(C)C)n1
342599604	ZINC000590834033	ref	4.23	-42.23	-1	290.323	1.139	1	4	3	COC(=O)c1ccc(=NC(=O)NC2(C3(C)CC3)CC2)[n-]n1
222609298	ZINC000222550732	ref	7.7	-23.62	0	388.83	3.607	2	4	6	CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccccc3F)ccc21
214178443	ZINC000278477237	ref	4.03	-6.24	0	302.216	2.041	0	4	4	CN(Cc1c(Br)cnn1C)C[C@@H]1CCCOC1
342599605	ZINC000590833256	ref	3.88	-11.18	0	257.309	1.449	1	3	4	CC[C@](C)(CNC(=O)N1CC[C@@](F)(C#N)C1)OC
398247262	ZINC000650868616	ref	6.18	-40.48	1	295.427	1.585	3	2	7	C[N@H+](CCNC(=O)N[C@@H](C1CCOCC1)C1CC1)C1CC1
342599606	ZINC000252807199	ref	4.98	-14.28	0	262.313	1.29	1	5	2	C[C@@H]1O[C@H](C)[C@@H](C(=O)Nc2nn(C)cc2C#N)[C@H]1C
342599607	ZINC000590834241	ref	5.97	-24.95	0	290.279	1.981	1	5	4	CCOc1ccc([N+](=O)[O-])cc1NC(=O)N1CC(C#N)C1
197599245	ZINC000290112035	ref	5.86	-9.59	0	293.338	3.108	1	3	2	O=C(N[C@@H]1CCCc2ccc(F)cc21)OC1CCOCC1
197599247	ZINC000290110722	ref	9.65	-11.09	0	281.359	2.731	0	3	4	CCc1c(C(=O)N(C)Cc2cccc(C#N)c2)ccn1C
342599608	ZINC000590834481	ref	8.07	-16.13	0	284.323	1.092	0	7	3	CC(C)c1nnc(Cn2cnc3ncccc3c2=O)n1C
214178446	ZINC000278477237	mid	6.07	-43.1	1	302.216	2.041	1	3	4	Cn1ncc(Br)c1C[N@H+](C)C[C@@H]1CCCOC1
342599609	ZINC000590833473	ref	4.01	-13.9	0	285.71	1.221	1	4	2	Cn1cc(Cl)c(CNC(=O)N2CC[C@@](F)(C#N)C2)n1
342600644	ZINC000401680490	mid	4.58	-35.94	1	273.373	1.192	2	4	7	CCC[C@@H](C(=O)OCC)[N@@H+]1CCC[C@](CO)(OC)C1
342600645	ZINC000401680490	mid	4.7	-31.95	1	273.373	1.192	2	4	7	CCC[C@@H](C(=O)OCC)[N@H+]1CCC[C@](CO)(OC)C1
342600646	ZINC000590841142	ref	7.1	-45.24	1	282.363	1.508	2	2	6	C[N@H+](CCCCNC(=O)N1CC[C@@](F)(C#N)C1)C1CC1
342600647	ZINC000590841142	mid	7.07	-45.04	1	282.363	1.508	2	2	6	C[N@@H+](CCCCNC(=O)N1CC[C@@](F)(C#N)C1)C1CC1
342600648	ZINC000616999724	ref	5.35	-42.54	1	286.416	1.276	2	3	8	COCCCOCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
343994598	ZINC000599271575	ref	4.78	-11.67	0	276.427	1.693	0	4	4	CCC(C)(C)CS(=O)(=O)N1CCSC[C@@H]1C#N
349533567	ZINC000093232508	high	1.69	-14.9	0	271.386	0.865	1	5	4	Cn1nccc1CN[C@H]1CCC[C@H](S(C)(=O)=O)C1
398247264	ZINC000650437669	ref	1.03	-13.29	0	246.332	-0.207	1	3	3	C[C@@H]1C[C@H]1C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1
342084561	ZINC000608932256	ref	5.76	-17.34	0	276.427	1.167	1	4	6	CCCC(=O)N1CSC[C@H]1C(=O)NCCSC
282120883	ZINC000292827504	ref	6.29	-31.22	1	250.386	3.246	1	2	7	CCC(CC)(C[NH2+][C@@H](C)c1cc(C)ccn1)OC
282120885	ZINC000292827504	high	5.36	-4.1	0	250.386	3.246	1	3	7	CCC(CC)(CN[C@@H](C)c1cc(C)ccn1)OC
214178444	ZINC000293498362	ref	0.23	-23.65	0	352.778	0.906	3	6	7	COc1ccc(C(=O)Nc2cnn(CC(=O)NCCO)c2)cc1Cl
214178451	ZINC000293499653	ref	3.48	-19.51	0	370.427	0.471	0	6	6	COCc1cc(C(=O)OC)cc(S(=O)(=O)N(C)[C@H]2CCN(C)C2=O)c1
214178457	ZINC000293494329	ref	5.17	-13.54	0	366.418	0.939	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1)OC
185091021	ZINC000096080807	mid	2.55	-11.58	0	298.408	1.301	0	4	4	CCS(=O)(=O)N1C[C@@H]2CN(Cc3ccc(C)o3)C[C@H]2C1
230235113	ZINC000354785825	ref	0.85	-17.09	0	272.301	-0.665	2	5	6	COC(=O)[C@H](C)CC(=O)NC[C@@H]1CC[C@H](C(N)=O)O1
342084562	ZINC000608934422	ref	5.36	-17.02	0	283.305	1.282	1	6	4	COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)s1
230235118	ZINC000354771688	ref	2.06	-19.91	0	299.327	-0.633	2	7	8	CCOC(=O)[C@@](C)(O)CNC(=O)COCc1ccnn1C
342084563	ZINC000625347889	ref	2.05	-12.32	0	297.376	1.007	1	4	3	Cc1cccc2c1C[C@H](NS(=O)(=O)[C@H]1CCOC1)CO2
342084564	ZINC000625349796	ref	3.27	-10.68	0	267.35	1.38	1	3	3	Cc1cccc2c1C[C@H](NS(=O)(=O)C1CC1)CO2
342084565	ZINC000625348446	ref	4.09	-9.2	0	280.393	1.765	2	2	5	CC1(C)[C@@H](NS(=O)(=O)NC2CC2)[C@@H]1c1ccccc1
342084566	ZINC000608932773	ref	5.82	-11.35	0	260.253	1.889	1	5	3	Cc1c(NC(=O)c2ccn(C)n2)cccc1[N+](=O)[O-]
342084567	ZINC000608933803	ref	8.12	-10.11	0	275.348	1.935	1	3	7	COC(=O)[C@H]1C[C@@H]1C(=O)NCCCCc1ccccc1
342084568	ZINC000608933804	ref	8.17	-14.5	0	275.348	1.935	1	3	7	COC(=O)[C@H]1C[C@H]1C(=O)NCCCCc1ccccc1
342084569	ZINC000625349735	ref	3.98	-8.68	0	261.387	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)CCOC(C)C)C1
342084570	ZINC000625348417	ref	4.17	-9.07	0	253.314	1.702	0	2	2	C[C@H]1CN(S(=O)(=O)C2CC2)C[C@H](C)C1(F)F
342084571	ZINC000625347892	ref	1.99	-13.17	0	297.376	1.007	1	4	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)[C@@H]1CCOC1)CO2
342084572	ZINC000608932142	ref	3.91	-11.36	0	295.408	1.315	2	4	7	CSCCNC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C
343994599	ZINC000079940338	high	5.86	-8.84	0	289.423	2.401	2	2	6	CC(C)NC(=O)NC[C@@H]1CCCN1CCc1ccccc1
185091022	ZINC000096080724	ref	4.48	-15.32	0	284.323	0.309	0	6	2	Cn1cc(N2C[C@@H]3CN(c4cnccn4)C[C@@H]3C2=O)cn1
299072458	ZINC000567666194	ref	5.53	-9.29	0	293.415	2.069	1	5	6	CC(C)[C@@H](CC1CCCCC1)C(=O)NCc1nnn(C)n1
185091024	ZINC000096081350	ref	6.98	-51.84	1	295.346	1.251	1	4	3	O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccn2)N1c1cncnc1
343994600	ZINC000079935706	ref	4.71	-15.27	0	298.305	2.168	1	3	4	C[C@@H](C(=O)NCCN(C)C(=O)OC(C)(C)C)C(F)(F)F
343994602	ZINC000079935570	ref	4.65	-10.08	0	282.34	2.349	2	5	8	Cc1cc(NC[C@H](O)COCC(C)C)ccc1[N+](=O)[O-]
343994605	ZINC000079924945	ref	6.5	-10.18	0	251.301	2.385	0	2	3	Cc1cc(F)cc(C(=O)N(C)C[C@H]2CCCO2)c1
185091025	ZINC000096081350	mid	6.26	-52.71	1	295.346	1.251	1	4	3	O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccn2)N1c1cncnc1
185091026	ZINC000096081350	mid	4.21	-10.77	0	295.346	1.251	0	5	3	O=C1C[C@H]2[C@@H](CCN2Cc2ccccn2)N1c1cncnc1
343994607	ZINC000079938231	ref	7.48	-13.86	0	280.368	2.032	0	3	4	CCOC(=O)N(C)C1CCN(C(=O)/C=C/C2CC2)CC1
230740416	ZINC000450466535	ref	6.48	-11.4	0	308.378	1.997	1	4	4	CCOC(=O)c1cc(C(=O)N2CCO[C@H](C(C)C)C2)[nH]c1C
365625407	ZINC000354685918	ref	3.38	-12.47	0	271.386	1.215	1	4	5	Cn1ccc(CCNS(=O)(=O)C2CCCCC2)n1
365625411	ZINC000354684802	ref	2.08	-9.01	0	275.757	1.937	1	4	4	CO[C@@]1(CNC(=O)c2sccc2Cl)CCOC1
365625416	ZINC000354684804	ref	2.12	-8.79	0	275.757	1.937	1	4	4	CO[C@]1(CNC(=O)c2sccc2Cl)CCOC1
398247265	ZINC000649444399	ref	4.04	-5.93	0	212.676	2.744	1	2	4	C=C(C)c1cc(Cl)ccc1OCCO
342084573	ZINC000608926641	ref	4.92	-14.54	0	258.285	1.091	1	6	4	Cc1cc(NC(=O)c2ccn(C)n2)n(CCC#N)n1
282120884	ZINC000362089214	ref	8.59	-43.08	1	349.45	2.639	2	2	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccc(F)cc3)C2)C1
342084574	ZINC000625347950	ref	4.98	-56.65	1	287.367	1.376	1	5	5	COc1cncc(C[N@H+](C)C[C@@H]2CCc3nccn3C2)n1
342084575	ZINC000625347950	mid	5.52	-55.38	1	287.367	1.376	1	5	5	COc1cncc(C[N@@H+](C)C[C@@H]2CCc3nccn3C2)n1
342084576	ZINC000625347950	mid	5.44	-98.06	2	287.367	1.376	1	4	5	COc1cncc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1
342084577	ZINC000625347950	mid	5.98	-100.15	2	287.367	1.376	1	4	5	COc1cncc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)n1
342088570	ZINC000121465860	low	8.22	-44.57	1	279.384	1.864	1	3	9	CC(=O)[C@@H](C)CCCCC(=O)NCCc1c[nH+]cn1C
365625409	ZINC000643087732	ref	7.05	-12.38	0	294.399	1.84	0	6	5	COCc1nnc(N2CCCC[C@@H]2C)n1C[C@H]1CCOC1
365625413	ZINC000643087796	ref	7.33	-11.12	0	296.415	1.942	0	6	7	COCc1nnc(N(C)[C@H](C)C(C)C)n1C[C@H]1CCOC1
342084578	ZINC000625347950	high	3.4	-10.28	0	287.367	1.376	0	6	5	COc1cncc(CN(C)C[C@@H]2CCc3nccn3C2)n1
342084579	ZINC000608932777	ref	5.0	-12.84	0	263.428	1.768	1	4	7	CSCCNC(=O)CSC[C@@H]1CCCCO1
214178445	ZINC000053355935	ref	7.77	-17.81	0	325.434	1.605	0	5	4	CC(=O)N1CCCN(C(=O)CSCc2c(C)noc2C)CC1
282120887	ZINC000493226787	low	5.34	-53.04	1	272.312	0.454	2	4	3	Cc1nc2n(n1)C[C@H](NC(=O)C=Cc1c[nH]c[nH+]1)CC2
365625418	ZINC000111473465	ref	8.21	-61.11	-1	283.368	1.905	0	4	5	CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1
365625424	ZINC000643087937	ref	5.58	-9.97	0	294.399	1.696	0	6	5	COCc1nnc(N2C[C@H](C)C[C@@H]2C)n1C[C@@H]1CCOC1
230740424	ZINC000425561463	ref	4.2	-11.78	0	305.407	2.476	2	5	7	C=CCn1cc(CNC(=O)N[C@H](CC)c2cccs2)nn1
365625428	ZINC000158198107	ref	4.64	-53.18	1	270.258	1.846	1	3	4	[NH3+]CCc1cn(Cc2cccc(C(F)(F)F)c2)nn1
214178454	ZINC000053370683	ref	6.43	-52.19	1	333.432	1.545	3	3	8	C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1OCC(N)=O
214178459	ZINC000053370683	mid	6.12	-52.75	1	333.432	1.545	3	3	8	C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1OCC(N)=O
214178462	ZINC000053356044	ref	7.86	-18.75	0	347.39	1.259	0	3	2	CC(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1
214178466	ZINC000053372953	ref	6.16	-9.93	0	326.396	3.054	0	4	4	O=C(CCc1ncc(-c2ccccc2)o1)N1CCO[C@H]2CCC[C@@H]21
365625433	ZINC000172840035	ref	9.04	-58.06	1	277.368	1.266	1	2	4	CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc[n+]1[O-]
365625437	ZINC000172840035	mid	8.86	-55.35	1	277.368	1.266	1	2	4	CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc[n+]1[O-]
342084580	ZINC000608933806	ref	8.12	-10.12	0	275.348	1.935	1	3	7	COC(=O)[C@@H]1C[C@H]1C(=O)NCCCCc1ccccc1
365625442	ZINC000172838607	ref	6.59	-22.1	0	299.374	1.756	2	2	3	CNC(=O)[C@@H]1CCCN1C(=O)Cc1c[nH]c2c(C)cccc12
342084581	ZINC000608933961	ref	5.75	-15.47	0	273.292	1.388	1	5	4	COC(=O)Cc1ccc(NC(=O)c2ccn(C)n2)cc1
230740440	ZINC000425561712	ref	3.44	-20.9	0	312.435	2.18	2	3	7	Cc1ccccc1[C@@H](C)NC(=O)NCCCCS(C)(=O)=O
365625448	ZINC000172839277	ref	4.35	-11.22	0	280.299	1.446	0	4	2	O=C(c1ccncc1F)N1CCC[C@@H](C2OCCO2)C1
342084582	ZINC000625348490	ref	6.41	-13.11	0	280.372	1.003	0	6	6	CCO[C@H](CN1CCO[C@@H](c2nncn2C)C1)C1CC1
342084583	ZINC000625348490	mid	7.43	-47.01	1	280.372	1.003	1	5	6	CCO[C@H](C[N@@H+]1CCO[C@@H](c2nncn2C)C1)C1CC1
168365750	ZINC000020418248	ref	1.2	-40.9	1	142.227	1.033	1	2	2	C[C@@H]([NH3+])Cc1cncs1
342084584	ZINC000625348490	mid	7.93	-47.28	1	280.372	1.003	1	5	6	CCO[C@H](C[N@H+]1CCO[C@@H](c2nncn2C)C1)C1CC1
365625420	ZINC000354684430	ref	4.38	-44.02	1	281.4	1.036	2	2	4	C[C@H]1CCCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
230740428	ZINC000414354456	ref	9.03	-43.54	1	304.409	3.407	1	2	4	C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+][C@H]1CCCOCC1
365625423	ZINC000354685062	ref	4.36	-45.15	1	297.443	1.577	3	2	10	CCCC[C@H](CC)CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365625426	ZINC000354685308	ref	0.68	-22.3	0	290.275	1.762	3	5	4	COc1cc(O)cc(NC(=O)c2c(OC)cc[nH]c2=O)c1
365625430	ZINC000354685107	ref	2.94	-10.32	0	294.399	1.579	3	4	8	C[C@@H](CO)CCCNC(=O)N[C@H](c1nccn1C)C1CC1
365625431	ZINC000354685107	low	3.54	-36.45	1	294.399	1.579	3	3	8	C[C@@H](CO)CCCNC(=O)N[C@H](c1[nH+]ccn1C)C1CC1
365625435	ZINC000354686108	ref	6.64	-7.5	0	293.363	1.559	1	4	8	COC[C@H](Cc1ccccc1)NC(=O)C[C@@H](C)C(=O)OC
365625439	ZINC000367179226	ref	1.7	-11.24	0	278.736	1.414	1	2	2	NS(=O)(=O)N1CC[C@@](F)(c2cccc(Cl)c2)C1
365625443	ZINC000354686311	ref	3.9	-45.05	1	295.427	1.33	3	2	5	CC1(C)CCCC[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1
365625447	ZINC000354685082	ref	1.91	-11.82	0	258.362	1.215	2	3	6	C[C@H](CO)CCCNC(=O)N(C)[C@@H]1CCCOC1
365625451	ZINC000354684398	ref	5.14	-42.17	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1
197599267	ZINC000162899665	ref	6.9	-16.9	0	301.35	2.058	1	6	3	CCOC(=O)N1CCC(Nc2ncnc3ncccc23)CC1
282120888	ZINC000171103580	ref	4.72	-13.84	0	333.779	1.31	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cccc(Cl)c1)CC2
342084585	ZINC000608932914	ref	6.82	-9.62	0	253.323	1.516	0	4	4	COC(=O)[C@@H]1C[C@H]1C(=O)N(C)Cc1ccsc1
342084586	ZINC000608933963	ref	6.51	-10.67	0	280.28	1.846	0	5	3	CC(C)N(C)C(=O)c1cc([N+](=O)[O-])cc2c1OCCO2
342084587	ZINC000625347835	ref	7.76	-50.1	1	293.411	1.573	1	4	6	C[N@H+](CCOC1CCOCC1)C[C@H]1CCc2nccn2C1
342084588	ZINC000625347835	mid	8.1	-49.83	1	293.411	1.573	1	4	6	C[N@@H+](CCOC1CCOCC1)C[C@H]1CCc2nccn2C1
342084589	ZINC000625347835	mid	8.22	-90.05	2	293.411	1.573	1	3	6	C[N@H+](CCOC1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1
282120889	ZINC000340488548	ref	6.21	-35.74	1	259.39	2.369	1	3	8	CCC(CC)(C[NH2+][C@@H](C)C(C)(C)OC)C(=O)OC
282120892	ZINC000430136876	ref	6.51	-29.44	1	257.418	3.129	1	2	9	CCC(CC)(C[NH2+][C@@H](C)CC1(OC)CCC1)OC
185091030	ZINC000096080494	ref	1.35	-11.09	0	274.364	1.691	1	3	3	CC(C)C(=O)N1C[C@@H]2[C@@H](C1)CN2Cc1ccc(O)cc1
178295083	ZINC000237055876	ref	6.84	-63.19	1	359.451	1.557	1	3	4	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CC[NH2+]CC1
342599610	ZINC000616994628	ref	6.64	-81.66	2	267.417	1.175	3	1	3	C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1
185091031	ZINC000096080494	mid	4.88	-51.91	1	274.364	1.691	2	2	3	CC(C)C(=O)N1C[C@H]2C[N@H+](Cc3ccc(O)cc3)[C@@H]2C1
185091032	ZINC000096080494	mid	5.47	-51.23	1	274.364	1.691	2	2	3	CC(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccc(O)cc3)[C@@H]2C1
185091033	ZINC000096081730	ref	1.95	-40.06	1	295.383	0.557	2	5	4	Cc1noc(C)c1CN1CCO[C@H]2C[N@@H+](C[C@@H](C)O)C[C@H]21
178295086	ZINC000237055876	mid	5.02	-16.88	0	359.451	1.557	1	4	4	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CCNCC1
185091034	ZINC000096081730	mid	2.16	-40.14	1	295.383	0.557	2	5	4	Cc1noc(C)c1CN1CCO[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]21
185091035	ZINC000096081730	mid	-0.6	-9.0	0	295.383	0.557	1	6	4	Cc1noc(C)c1CN1CCO[C@H]2CN(C[C@@H](C)O)C[C@H]21
178295089	ZINC000237060969	ref	7.85	-65.88	1	360.437	1.362	1	5	6	C[NH2+]CC1CCN(C(=O)[C@H](Cc2cccc(F)c2)n2nnnc2C)CC1
185091036	ZINC000096080676	ref	5.03	-18.85	0	289.335	0.145	0	4	4	COCC(=O)N1C[C@@H]2CN(Cc3ccncc3)C(=O)[C@@H]2C1
185091037	ZINC000096080797	ref	4.39	-56.19	1	295.408	0.795	1	3	4	CCS(=O)(=O)N1C[C@H]2C[NH+](Cc3ccncc3)C[C@@H]2C1
185091038	ZINC000096080797	mid	1.82	-11.71	0	295.408	0.795	0	4	4	CCS(=O)(=O)N1C[C@H]2CN(Cc3ccncc3)C[C@@H]2C1
342599611	ZINC000616994628	mid	6.63	-82.1	2	267.417	1.175	3	1	3	C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1
299072462	ZINC000446235833	ref	8.12	-7.99	0	282.428	3.164	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@@H]1CCCO1
365625421	ZINC000625044458	high	3.02	-44.03	-1	310.825	2.342	0	4	4	[O-]c1ccc(Cl)c(CN2CCN(C[C@H]3CCCO3)CC2)c1
282120893	ZINC000269043258	ref	6.59	-36.98	1	319.493	3.01	3	2	10	CCC(CC)(C[NH2+][C@@H](C)CC(=O)NC)N[C@@H](C)c1ccccc1
342599612	ZINC000616994628	mid	6.71	-81.8	2	267.417	1.175	3	1	3	C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1
342599613	ZINC000616994628	mid	6.66	-81.63	2	267.417	1.175	3	1	3	C[NH+]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)C1
342599614	ZINC000590835271	ref	3.82	-11.27	0	295.314	1.158	2	4	7	COCC(COC)NC(=O)NCc1ccc(C#N)cc1F
214178448	ZINC000278477237	mid	6.01	-43.58	1	302.216	2.041	1	3	4	Cn1ncc(Br)c1C[N@@H+](C)C[C@@H]1CCCOC1
214178450	ZINC000278477688	ref	6.43	-43.38	1	311.397	2.202	2	3	10	COC[C@@H](C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1
214178453	ZINC000278477688	mid	6.74	-40.59	1	311.397	2.202	2	3	10	COC[C@@H](C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1
214178455	ZINC000278477688	high	4.65	-7.2	0	311.397	2.202	1	4	10	COC[C@@H](C)OC[C@H](O)CN(Cc1cccc(F)c1)C1CC1
214178458	ZINC000278476038	ref	6.1	-47.15	1	308.385	3.299	2	4	4	c1cncc(C[NH+]2CCC(Nc3nc4ccccc4o3)CC2)c1
214178460	ZINC000278476038	mid	3.75	-9.34	0	308.385	3.299	1	5	4	c1cncc(CN2CCC(Nc3nc4ccccc4o3)CC2)c1
214178465	ZINC000278477139	ref	6.04	-14.67	0	315.406	1.928	1	8	5	c1ncc(CNc2cnn(Cc3nnc4n3CCCC4)c2)s1
214178468	ZINC000278477301	ref	4.46	-48.59	1	315.36	2.869	2	3	8	CCOC1CC(O)(C[NH2+][C@H](C)c2cccc(OC(F)F)c2)C1
214178471	ZINC000278476280	ref	4.23	-22.13	0	300.362	1.131	2	4	5	Cc1ccc(CNC(=O)NCCc2ccccn2)c(=O)n1C
342599615	ZINC000590836111	ref	6.64	-22.4	0	289.383	1.686	1	4	3	C[C@@H](Cc1cnn(C)c1)NC(=O)N1CCC[C@@](C)(C#N)C1
214178475	ZINC000278476458	ref	8.05	-10.75	0	310.397	2.964	1	3	5	CO[C@H](C(=O)NCc1ccc2c(n1)CCCC2)c1ccccc1
214178479	ZINC000278477321	ref	9.22	-39.96	1	310.401	2.652	2	3	4	Cn1ccnc1-c1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1
214178482	ZINC000278477321	mid	8.81	-48.3	1	310.401	2.652	2	3	4	Cn1ccnc1-c1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1
214178484	ZINC000278477321	mid	7.09	-20.48	0	310.401	2.652	1	4	4	Cn1ccnc1-c1cccc(NC(=O)[C@H]2CCCN2C2CC2)c1
342599616	ZINC000590835944	ref	6.89	-15.33	0	293.758	1.472	0	6	2	Cn1ncc(N2CCC[C@@H](n3ccnc3)C2)c(Cl)c1=O
214178487	ZINC000278477321	low	9.68	-71.7	2	310.401	2.652	2	2	4	Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1
214178490	ZINC000278477321	low	9.27	-75.33	2	310.401	2.652	2	2	4	Cn1cc[nH+]c1-c1cccc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1
214178493	ZINC000278476470	ref	2.22	-16.45	0	306.318	2.113	3	5	6	COC(=O)c1cc2cc(NC(=O)NCCCCO)ccc2o1
166172609	ZINC000018188363	ref	5.84	-22.16	0	234.211	0.723	1	4	5	C#CCNC(=O)COc1ccccc1[N+](=O)[O-]
365625425	ZINC000625041757	ref	5.07	-11.16	0	322.409	2.22	1	5	3	CCc1nc(C2(NC(=O)N3C[C@H](C)O[C@H](C)C3)CCCC2)no1
365625427	ZINC000625041998	ref	8.32	-19.25	0	315.417	2.29	1	2	4	Cc1ccccc1CN(C)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365625432	ZINC000625044745	ref	3.8	-9.46	0	318.464	2.035	0	5	5	CCc1cnc(CN(C)S(=O)(=O)[C@H]2COC(C)(C)C2)s1
230740448	ZINC000450465689	ref	4.25	-12.35	0	302.3	1.252	0	4	4	O=C1CN(Cc2ccn(CC(F)(F)F)n2)CCN1C1CC1
365625436	ZINC000625043375	ref	3.36	-4.46	0	310.463	2.061	0	5	6	c1cc(CN2CCN(CCOC3CCOCC3)CC2)cs1
230740454	ZINC000450464862	ref	5.49	-10.98	0	319.279	1.932	1	4	5	COC[C@@H](NC(=O)c1ccc(C(F)(F)F)cc1C)C(=O)OC
365625438	ZINC000625043375	mid	5.69	-35.12	1	310.463	2.061	1	4	6	c1cc(CN2CC[NH+](CCOC3CCOCC3)CC2)cs1
178295087	ZINC000082789850	ref	2.15	-46.94	1	268.165	2.114	1	2	3	C[C@@H](C[NH3+])S(=O)(=O)c1cc(Cl)ccc1Cl
365625440	ZINC000625043375	low	5.83	-36.2	1	310.463	2.061	1	4	6	c1cc(C[NH+]2CCN(CCOC3CCOCC3)CC2)cs1
185091041	ZINC000096080780	ref	8.33	-51.41	0	292.31	0.8	1	3	4	O=C([O-])C[N@@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1
185091042	ZINC000096080780	mid	8.39	-50.57	0	292.31	0.8	1	3	4	O=C([O-])C[N@H+]1C[C@H]2CN(Cc3cccc(F)c3)C(=O)[C@H]2C1
293079818	ZINC000360289220	ref	6.93	-8.24	0	253.386	2.696	0	2	4	COC[C@H](C)[C@H](C)C(=O)N1CCC[C@@H]2CCC[C@H]21
365625444	ZINC000625044536	ref	2.52	-13.32	0	320.361	2.194	1	4	8	CCC1(CNS(=O)(=O)c2cccnc2OCC(F)F)CC1
178295088	ZINC000082789850	high	1.74	-9.56	0	268.165	2.114	1	3	3	C[C@@H](CN)S(=O)(=O)c1cc(Cl)ccc1Cl
342084590	ZINC000625347835	mid	8.56	-92.81	2	293.411	1.573	1	3	6	C[N@@H+](CCOC1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1
342084591	ZINC000608933221	ref	3.72	-10.83	0	280.309	1.224	1	7	3	COC(=O)c1sc(NC(=O)c2ccn(C)n2)nc1C
342084592	ZINC000608933349	ref	4.97	-9.8	0	297.694	1.816	1	5	3	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc2c(cc1Cl)OCO2
342084593	ZINC000625348500	ref	5.8	-12.93	0	280.372	1.003	0	6	6	CCO[C@@H](CN1CCO[C@@H](c2nncn2C)C1)C1CC1
230740465	ZINC000450462896	ref	4.19	-11.09	0	307.346	1.047	1	5	7	COC[C@]1(C(=O)NCC(=O)c2ccccc2OC)CCOC1
365625449	ZINC000625044536	high	2.39	-54.72	-1	320.361	2.194	0	4	8	CCC1(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)CC1
342084594	ZINC000625348500	mid	7.74	-48.1	1	280.372	1.003	1	5	6	CCO[C@@H](C[N@@H+]1CCO[C@@H](c2nncn2C)C1)C1CC1
365625452	ZINC000625043487	ref	4.38	-36.71	1	313.825	2.446	3	3	7	COc1ccc(Cl)cc1C[N@H+](C)C[C@@H](O)CC1(O)CCC1
185091044	ZINC000096080890	ref	8.51	-46.97	1	252.402	2.223	1	1	5	CCCCC[NH+]1C[C@H]2CN(C(=O)C(C)C)C[C@@H]2C1
185091045	ZINC000096081295	ref	6.87	-14.12	0	274.32	1.505	0	3	3	O=C1C[C@H]2[C@H](CCN2C(=O)c2ccco2)N1CC1CC1
136228694	ZINC000283942226	high	5.78	-3.59	0	242.366	1.868	0	2	4	C#CCCN1CCN(C)[C@H](Cc2ccccc2)C1
136228695	ZINC000283938651	ref	0.88	-10.67	0	210.277	-0.465	1	3	2	CC#CC(=O)N1CCN(C[C@@H](C)O)CC1
343994601	ZINC000599272483	ref	5.89	-42.73	1	255.314	1.587	2	4	7	CCOC(=O)C[C@H](O)C[N@H+](C)[C@H](C)c1ccco1
349533568	ZINC000621229064	ref	5.69	-13.12	0	294.317	2.094	1	2	5	CC(C)(CNC(=O)CN1CCCCC1=O)CC(F)(F)F
185091047	ZINC000096080916	ref	8.0	-44.64	1	282.384	0.986	1	3	5	COC(=O)CCC(=O)N1C[C@H]2C[N@H+](CC(C)C)C[C@H]2C1
185091048	ZINC000096080916	mid	7.96	-44.9	1	282.384	0.986	1	3	5	COC(=O)CCC(=O)N1C[C@H]2C[N@@H+](CC(C)C)C[C@H]2C1
282120890	ZINC000362070412	ref	7.28	-41.4	1	311.47	2.173	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCO[C@@H](C(C)(C)C)C2)C1
282120895	ZINC000334273195	ref	8.82	-43.74	1	264.413	2.223	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC3CCC2CC3)C1
342084595	ZINC000625348500	mid	8.06	-46.9	1	280.372	1.003	1	5	6	CCO[C@@H](C[N@H+]1CCO[C@@H](c2nncn2C)C1)C1CC1
290623266	ZINC000492528193	ref	9.03	-40.6	1	287.407	2.203	1	2	4	Cc1ccc(/C=C/C(=O)N(C)CC2CC[NH+](C)CC2)nc1
185091053	ZINC000096080902	ref	5.63	-49.77	1	277.368	0.941	2	2	5	COCCC(=O)N1C[C@H]2C[NH+](Cc3ccc[nH]3)C[C@@H]2C1
185091054	ZINC000096080902	high	3.07	-9.71	0	277.368	0.941	1	3	5	COCCC(=O)N1C[C@H]2CN(Cc3ccc[nH]3)C[C@@H]2C1
197599269	ZINC000290111203	ref	5.58	-44.55	1	294.37	2.099	2	2	7	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCOc1ccc(F)cc1
282120907	ZINC000372268755	ref	7.89	-43.84	1	348.466	2.164	2	2	4	CN1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccc(F)cc1
282120908	ZINC000372268755	mid	9.13	-92.42	2	348.466	2.164	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)cc2)C1
282120910	ZINC000372268755	mid	10.0	-92.24	2	348.466	2.164	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)cc2)C1
290623269	ZINC000492528193	high	6.64	-8.96	0	287.407	2.203	0	3	4	Cc1ccc(/C=C/C(=O)N(C)CC2CCN(C)CC2)nc1
398247266	ZINC000650868616	mid	6.16	-40.17	1	295.427	1.585	3	2	7	C[N@@H+](CCNC(=O)N[C@@H](C1CCOCC1)C1CC1)C1CC1
185091059	ZINC000096081246	ref	4.33	-19.44	0	278.312	-0.128	1	4	4	COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1c[nH]cn1
342084596	ZINC000625348435	ref	3.97	-9.68	0	299.383	1.964	0	3	5	COCC[C@H](C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
365625453	ZINC000172843411	ref	7.08	-11.23	0	278.377	1.868	1	3	4	Cc1cccc(O[C@@H](C)CN2C(=O)[C@H](C)NC2=S)c1
365625459	ZINC000172842720	ref	7.67	-12.13	0	282.365	1.635	1	4	5	CCc1ccc([C@@H](COC)N2C(=O)[C@H](C)NC2=S)o1
365638882	ZINC000354711669	ref	4.69	-43.7	1	282.428	1.905	3	2	7	NC(=O)CCC1CC[NH+](C[C@@H](O)CC2CCCC2)CC1
365638887	ZINC000354713026	ref	6.93	-46.0	1	266.385	1.448	2	2	6	C[C@@H]1C(=O)CC[C@H]1CC(=O)NC[C@@H](C1CC1)[NH+](C)C
365638897	ZINC000354713026	high	5.94	-8.35	0	266.385	1.448	1	3	6	C[C@@H]1C(=O)CC[C@H]1CC(=O)NC[C@@H](C1CC1)N(C)C
282120891	ZINC000441848202	ref	2.93	-19.19	0	339.359	0.533	3	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc3n[nH]cc3c1)CC2
282120894	ZINC000171103410	ref	4.37	-13.27	0	335.314	0.934	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1cc(F)ccc1F)CC2
282120896	ZINC000341636644	ref	5.56	-43.97	1	346.435	-0.384	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1C[N@H+](C3CC3)C[C@@H]1C)CC2
365638900	ZINC000354712602	ref	2.81	-27.67	0	285.34	1.014	1	3	4	COc1ccc(CC(=O)N[C@H]2CC[S@](=O)C2)cc1F
365638907	ZINC000354712621	ref	3.56	-15.75	0	289.379	1.979	2	3	4	CC(C)c1cccc(C(=O)N[C@@H]2CCCC[C@H]2C(N)=O)n1
365638910	ZINC000354712797	ref	2.82	-22.31	0	280.393	1.514	2	3	5	CC[C@H](Nc1ccccc1)C(=O)N[C@H]1CC[S@](=O)C1
365638917	ZINC000354713029	ref	6.79	-46.51	1	266.385	1.448	2	2	6	C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H](C1CC1)[NH+](C)C
342600649	ZINC000616999724	mid	5.34	-43.2	1	286.416	1.276	2	3	8	COCCCOCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365638921	ZINC000354713029	high	5.79	-8.59	0	266.385	1.448	1	3	6	C[C@@H]1C(=O)CC[C@@H]1CC(=O)NC[C@@H](C1CC1)N(C)C
230740489	ZINC000425560921	ref	8.29	-11.24	0	315.373	2.434	0	5	4	CCOC(=O)CN(C(=O)c1ccc2ccncc2n1)C(C)(C)C
365638924	ZINC000354712947	ref	6.3	-15.63	0	277.755	1.975	1	3	5	Cn1ccc(CCNC(=O)Cc2ccc(Cl)cc2)n1
365638926	ZINC000354711559	ref	0.68	-10.53	0	296.371	1.754	2	5	4	COc1nn(C)cc1NC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C
365638931	ZINC000354711946	ref	6.83	-12.46	0	262.357	1.745	1	4	4	Cn1c(CNC(=O)C2CC(C)(C)C2)nnc1C1CC1
365638938	ZINC000354712889	ref	3.24	-14.97	0	291.355	1.218	1	6	7	CC(C)c1noc(CCC(=O)NCCc2ccn(C)n2)n1
365638943	ZINC000354713118	ref	4.33	-11.43	0	286.372	1.13	2	4	5	CCOC(=O)CC[C@H](C)NC(=O)N1CC[C@H](O)[C@H](C)C1
365638949	ZINC000354713115	ref	4.36	-11.72	0	286.372	1.13	2	4	5	CCOC(=O)CC[C@H](C)NC(=O)N1CC[C@@H](O)[C@@H](C)C1
365638953	ZINC000354712569	ref	0.97	-10.34	0	268.317	1.071	1	5	3	COc1nn(C)cc1NC(=O)N1CCC(OC)CC1
365625454	ZINC000625043487	mid	4.22	-35.94	1	313.825	2.446	3	3	7	COc1ccc(Cl)cc1C[N@@H+](C)C[C@@H](O)CC1(O)CCC1
365625457	ZINC000625043487	mid	1.89	-6.03	0	313.825	2.446	2	4	7	COc1ccc(Cl)cc1CN(C)C[C@@H](O)CC1(O)CCC1
365625460	ZINC000625043488	ref	5.67	-35.85	1	313.825	2.446	3	3	7	COc1ccc(Cl)cc1C[N@H+](C)C[C@H](O)CC1(O)CCC1
365625462	ZINC000625043488	mid	5.48	-36.56	1	313.825	2.446	3	3	7	COc1ccc(Cl)cc1C[N@@H+](C)C[C@H](O)CC1(O)CCC1
365625463	ZINC000625043488	mid	3.11	-5.78	0	313.825	2.446	2	4	7	COc1ccc(Cl)cc1CN(C)C[C@H](O)CC1(O)CCC1
365625465	ZINC000625042747	ref	4.11	-7.98	0	309.479	2.028	1	4	5	CC(C)(C)CNC(=O)CN1CCN(Cc2ccsc2)CC1
349533569	ZINC000093235031	ref	5.08	-43.3	1	279.34	0.754	2	4	7	COC(=O)CNC(=O)CC[N@H+](C)[C@H](C)c1cccnc1
365625466	ZINC000625042747	low	6.37	-39.15	1	309.479	2.028	2	3	5	CC(C)(C)CNC(=O)CN1CC[NH+](Cc2ccsc2)CC1
342599617	ZINC000590835944	low	7.6	-43.15	1	293.758	1.472	0	5	2	Cn1ncc(N2CCC[C@@H](n3cc[nH+]c3)C2)c(Cl)c1=O
365625467	ZINC000625044435	ref	6.52	-19.72	0	307.419	2.043	1	3	4	CN(Cc1cccs1)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
365625468	ZINC000625044139	ref	9.35	-47.11	1	304.434	2.358	2	2	6	Cc1ccc(CO[C@@H](C)C(=O)NCC2CC[NH+](C)CC2)cc1
342599618	ZINC000616994772	ref	6.32	-42.6	1	275.396	1.861	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cc2cccnc2)C1
342599619	ZINC000616994772	mid	6.37	-42.92	1	275.396	1.861	2	2	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cc2cccnc2)C1
365625469	ZINC000625042034	ref	7.17	-17.4	0	307.438	2.408	2	2	6	CCC[C@H](NC(=O)N[C@H]1CCN(C2CCC2)C1=O)C1CCC1
342599620	ZINC000616994600	ref	5.26	-37.42	1	281.444	1.707	3	1	3	C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
365625470	ZINC000625042256	ref	7.13	-18.93	0	307.438	2.217	1	2	3	CC(C)[C@@H]1CCCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
365625471	ZINC000625042254	ref	7.16	-19.62	0	307.438	2.217	1	2	3	CC(C)[C@H]1CCCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
197599278	ZINC000162896627	ref	3.23	-13.79	0	306.156	2.284	1	2	0	C[C@H]1C[S@](=O)c2cc(Br)c(F)cc2NC1=O
365625472	ZINC000625042103	ref	5.58	-11.18	0	302.378	2.039	1	5	6	COCC[C@@H](C)NC(=O)c1cc(C)n(-c2cnccn2)c1C
365625473	ZINC000625044798	ref	9.32	-47.19	1	304.434	2.358	2	2	6	Cc1ccccc1CO[C@H](C)C(=O)NCC1CC[NH+](C)CC1
365639539	ZINC000576609127	ref	3.02	-52.65	1	236.275	0.527	2	3	2	COc1cccnc1NC(=O)N1CC[NH2+]CC1
342599621	ZINC000616994600	mid	5.25	-38.06	1	281.444	1.707	3	1	3	C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
178295092	ZINC000237056774	ref	3.12	-57.04	1	355.504	1.619	3	3	9	CCS(=O)(=O)NCc1ccc(C(=O)N[C@@](C)(C[NH3+])CC(C)C)cc1
365625455	ZINC000354684398	mid	5.81	-43.28	1	269.389	1.289	2	2	2	CO[C@@H]1CCCN(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)C1
365625458	ZINC000354684398	high	3.5	-7.9	0	269.389	1.289	1	3	2	CO[C@@H]1CCCN(C(=O)N[C@H]2CCN(C)[C@H](C)C2)C1
365638891	ZINC000274370944	ref	4.08	-34.55	1	285.351	1.515	0	5	3	COc1ccnc(N2CCN(c3cc[nH+]c(C)c3)CC2)n1
365638893	ZINC000274370060	ref	5.82	-11.24	0	267.712	1.739	1	3	4	CCC(=O)CNC(=O)[C@H]1Cc2cc(Cl)ccc2O1
178295096	ZINC000237062123	ref	3.19	-52.41	1	368.503	1.459	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1
178295099	ZINC000237062457	ref	4.59	-50.36	1	374.409	1.655	1	4	4	COC(=O)c1c(F)ccc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)c1F
185091060	ZINC000096081246	mid	4.15	-19.79	0	278.312	-0.128	1	4	4	COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1cnc[nH]1
185091061	ZINC000096080728	ref	7.85	-14.74	0	284.363	1.504	0	4	3	CC(C)CN1C[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]2C1=O
342599622	ZINC000616994600	mid	7.47	-80.77	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599623	ZINC000616994600	mid	7.46	-80.78	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
178295103	ZINC000237056281	ref	2.57	-52.07	1	363.487	1.816	1	6	6	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1
185091062	ZINC000096081421	ref	6.96	-37.95	1	291.37	1.33	2	2	3	CNC(=O)C[N@@H+]1CC[C@@H]2CN(c3ccccc3F)C[C@@H]2C1
185091063	ZINC000096081421	mid	7.15	-44.1	1	291.37	1.33	2	2	3	CNC(=O)C[N@H+]1CC[C@@H]2CN(c3ccccc3F)C[C@@H]2C1
185091064	ZINC000096081421	mid	4.37	-11.81	0	291.37	1.33	1	3	3	CNC(=O)CN1CC[C@@H]2CN(c3ccccc3F)C[C@@H]2C1
185091065	ZINC000096080499	ref	6.89	-44.25	1	274.364	1.366	1	2	5	COCCC(=O)N1C[C@@H]2[C@H](C1)C[N@@H+]2Cc1ccccc1
185091066	ZINC000096080499	mid	7.05	-45.75	1	274.364	1.366	1	2	5	COCCC(=O)N1C[C@@H]2[C@H](C1)C[N@H+]2Cc1ccccc1
230740487	ZINC000450463851	ref	4.73	-13.22	0	301.39	1.683	2	4	6	CCc1ccc([C@@H](CO)NC(=O)Cc2cn(C)nc2C)cc1
178295106	ZINC000237056281	high	2.24	-13.68	0	363.487	1.816	1	7	6	CC[C@H](C)[C@@H](N)C(=O)N1CCN(Cc2nc(-c3cccs3)no2)CC1
398247267	ZINC000381279953	ref	-0.29	-45.85	1	210.281	0.91	2	4	4	Cc1noc([C@@H](C)NCC2([NH3+])CCC2)n1
166173006	ZINC000037817771	high	3.07	-6.03	0	184.283	1.147	1	2	5	C=CCN(C(=O)[C@H](N)CC)C(C)C
398247270	ZINC000649444390	ref	5.19	-5.46	0	241.216	3.053	1	2	2	CCc1cccc(-c2cc(C(F)(F)F)[nH]n2)n1
365625474	ZINC000625041775	ref	6.45	-14.86	0	300.402	2.485	2	2	3	C[C@H](C(=O)N[C@H]1CCCCc2ccccc21)[C@@H]1CCC(=O)N1
342599624	ZINC000616994600	mid	5.26	-37.42	1	281.444	1.707	2	2	3	CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365625476	ZINC000625042871	ref	7.48	-20.45	0	319.449	2.362	1	2	2	C[C@@H]1CC[C@@]2(CCN(C(=O)N[C@@H]3CCN(C4CCC4)C3=O)C2)C1
214178463	ZINC000293495486	ref	3.27	-8.79	0	374.441	0.763	2	6	2	O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CC[C@@H](O)C12CCCC2
342599625	ZINC000616994600	mid	5.25	-38.06	1	281.444	1.707	2	2	3	CN1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599626	ZINC000590835975	ref	4.99	-14.9	0	261.256	1.702	1	3	1	N#Cc1ccc(NC(=O)N2CCO[C@H]3C[C@H]32)cc1F
214178470	ZINC000293490504	ref	7.17	-39.02	1	363.462	0.801	2	5	5	COCCn1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1
214178473	ZINC000293490504	mid	4.99	-8.78	0	363.462	0.801	2	5	5	COCCn1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)n1
214178476	ZINC000293490504	high	4.99	-8.78	0	363.462	0.801	1	6	5	COCCn1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@H](C)C2)n1
214178480	ZINC000293497578	ref	9.17	-21.59	0	362.43	0.664	0	7	11	COCCOCCN(Cc1ccccc1)C(=O)CCn1ncn(C)c1=O
214178486	ZINC000293499524	ref	6.16	-50.67	1	370.457	0.681	1	6	6	CCn1nc(C)c(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)n1
214178491	ZINC000293499524	mid	6.16	-50.67	1	370.457	0.681	2	5	6	CCn1nc(C)c(C(=O)NCC(=O)N2CC[NH+](Cc3ccccc3)CC2)n1
214178494	ZINC000293503160	ref	3.77	-19.54	0	352.456	0.917	1	4	6	O=C(CNS(=O)(=O)CC[C@@H]1CCOC1)N1CCc2ccccc2C1
214178500	ZINC000293490508	ref	7.27	-37.67	1	363.462	0.801	2	5	5	COCCn1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1
214178503	ZINC000293490508	mid	4.86	-8.87	0	363.462	0.801	2	5	5	COCCn1ccc(NC(=O)C(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)n1
342599627	ZINC000590836305	ref	2.86	-18.73	0	292.314	1.021	3	3	5	CNC(=O)C[C@H](C)NC(=O)NCc1ccc(C#N)cc1F
214178506	ZINC000293490508	high	4.86	-8.87	0	363.462	0.801	1	6	5	COCCn1ccc(NC(=O)C(=O)N2CCN(C3CCC3)C[C@@H](C)C2)n1
214178511	ZINC000293495466	ref	0.95	-15.1	0	371.484	0.486	2	5	6	O=C1COc2ccc(C[NH2+]CCS(=O)(=O)N3CCSCC3)cc2N1
342599628	ZINC000590840380	ref	4.71	-11.47	0	286.379	1.873	1	4	5	Cc1cccn2cc(CN(CC(N)=O)C3CCCC3)nc12
398247268	ZINC000650868616	high	3.73	-9.31	0	295.427	1.585	2	3	7	CN(CCNC(=O)N[C@@H](C1CCOCC1)C1CC1)C1CC1
365625475	ZINC000617391676	ref	4.16	-12.17	0	293.367	0.351	1	5	4	Cn1cc(C[C@H](O)C(=O)N2CCO[C@@](C)(C3CC3)C2)cn1
365625479	ZINC000617390895	ref	8.24	-13.98	0	290.367	0.868	0	5	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCc3nncn3C2)CCO1
342599629	ZINC000590840380	low	7.38	-40.58	1	286.379	1.873	2	3	5	Cc1cccn2cc(C[N@H+](CC(N)=O)C3CCCC3)nc12
185091067	ZINC000096080499	mid	3.62	-8.19	0	274.364	1.366	0	3	5	COCCC(=O)N1C[C@@H]2CN(Cc3ccccc3)[C@@H]2C1
197599281	ZINC000162914302	ref	7.34	-9.59	0	314.429	2.794	2	2	4	Cc1cccc(CCNC(=O)N[C@H]2[C@H]3CCO[C@@H]3C23CCC3)c1
342599630	ZINC000590840380	low	5.72	-40.53	1	286.379	1.873	2	3	5	Cc1cccn2cc(C[N@@H+](CC(N)=O)C3CCCC3)nc12
342599631	ZINC000590835946	ref	6.93	-46.8	1	298.818	1.744	1	4	1	Cn1ncc(N2CCC[N@@H+](C(C)(C)C)CC2)c(Cl)c1=O
185091068	ZINC000096080178	ref	4.19	-46.58	1	293.411	0.703	2	2	1	CC(C)C(=O)N1CCC2(CC1)C[N@H+](C)C[C@]21CCNC1=O
342599632	ZINC000590835946	mid	7.03	-45.42	1	298.818	1.744	1	4	1	Cn1ncc(N2CCC[N@H+](C(C)(C)C)CC2)c(Cl)c1=O
197599291	ZINC000162904493	ref	2.56	-18.76	0	302.721	2.227	1	5	3	CNC(=O)Cc1noc(-c2ccc3ccc(Cl)cc3n2)n1
185091069	ZINC000096080178	mid	4.17	-49.18	1	293.411	0.703	2	2	1	CC(C)C(=O)N1CCC2(CC1)C[N@@H+](C)C[C@]21CCNC1=O
342599633	ZINC000590835946	high	5.25	-7.18	0	298.818	1.744	0	5	1	Cn1ncc(N2CCCN(C(C)(C)C)CC2)c(Cl)c1=O
185091070	ZINC000096080860	ref	9.05	-49.45	1	272.392	2.233	1	1	3	CC(C)C(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1
365625482	ZINC000617393243	ref	6.92	-7.81	0	264.329	0.867	0	5	3	C[C@@H](C(=O)N1CCO[C@@](C)(C2CC2)C1)n1cncn1
185091071	ZINC000096080918	ref	7.89	-45.37	1	282.384	0.986	1	3	5	COC(=O)CCC(=O)N1C[C@H]2C[NH+](CC(C)C)C[C@@H]2C1
342599634	ZINC000590835834	ref	5.55	-27.65	0	298.302	1.942	2	4	2	COC(=O)c1cc(NC(=O)N2CC(C#N)C2)cc2[nH]ccc12
197599302	ZINC000162910883	ref	6.73	-8.38	0	320.458	2.448	1	4	3	Cc1cccc(C)c1NCC(=O)N1CCS[C@H]2COCC[C@@H]21
342599635	ZINC000590840424	ref	3.51	-7.84	0	295.427	1.507	1	3	6	CN(C(=O)CN(CC(N)=O)C1CCCC1)C1CCCCC1
187169780	ZINC000125105931	ref	5.39	-50.42	1	277.261	2.705	2	1	5	O[C@H](C[NH2+]Cc1cc(F)cc(C(F)(F)F)c1)C1CC1
342599636	ZINC000590840424	mid	5.64	-31.49	1	295.427	1.507	2	2	6	CN(C(=O)C[N@H+](CC(N)=O)C1CCCC1)C1CCCCC1
342084597	ZINC000608920636	ref	6.01	-42.95	1	257.403	1.229	2	2	4	CSCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1
185091072	ZINC000096081874	ref	8.0	-43.99	1	290.411	1.899	1	4	4	COc1cc(N2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)ncn1
342084598	ZINC000608920636	high	3.63	-10.33	0	257.403	1.229	1	3	4	CSCCNC(=O)N1CC[C@H](N2CCCC2)C1
342084599	ZINC000608934530	ref	7.1	-10.31	0	291.303	1.529	1	5	4	COC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C(=O)OC)c1C
342084600	ZINC000608923430	ref	1.65	-10.46	0	254.355	1.341	3	3	6	CSCCNC(=O)NCc1ccccc1CO
342084601	ZINC000608932805	ref	5.63	-17.96	0	291.303	1.595	1	5	3	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2
214178469	ZINC000053358736	ref	7.34	-14.76	0	329.396	3.178	1	4	8	COc1cccc(OCC(=O)NCc2cccc(OC(C)C)c2)c1
178295104	ZINC000082790084	ref	1.02	-51.54	1	273.301	1.802	1	3	4	[NH3+]CC[C@@H](C(F)(F)F)S(=O)(=O)c1cccs1
342084602	ZINC000608934529	ref	7.24	-14.41	0	291.303	1.529	1	5	4	COC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C(=O)OC)c1C
136228696	ZINC000283938651	mid	3.13	-43.84	1	210.277	-0.465	2	2	2	CC#CC(=O)N1CC[NH+](C[C@@H](C)O)CC1
342084603	ZINC000625348546	ref	3.71	-10.01	0	297.367	1.717	0	3	2	C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084604	ZINC000608932916	ref	6.79	-15.16	0	253.323	1.516	0	4	4	COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)Cc1ccsc1
342084605	ZINC000625348478	ref	3.99	-11.2	0	299.383	1.966	0	3	6	COCCCCS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084606	ZINC000625348437	ref	4.24	-9.58	0	299.383	1.964	0	3	5	COCC[C@H](C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342084607	ZINC000625348480	ref	4.02	-10.09	0	299.383	1.966	0	3	6	COCCCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084608	ZINC000608933748	ref	7.25	-11.03	0	279.34	1.677	1	5	6	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccnn1CCC(C)C
178295115	ZINC000082789758	ref	2.81	-48.2	1	261.774	2.241	1	2	5	CC[C@H](CC[NH3+])S(=O)(=O)c1ccccc1Cl
290623267	ZINC000423576510	ref	4.46	-44.68	1	293.411	0.975	1	2	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)C2)C1
342084609	ZINC000625349719	ref	3.25	-8.51	0	268.382	1.622	2	2	5	CCNS(=O)(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C
342084610	ZINC000608933746	ref	7.25	-11.12	0	279.34	1.677	1	5	6	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccnn1CCC(C)C
136228697	ZINC000283949321	ref	3.74	-9.75	0	231.295	1.554	2	2	3	CC#CC(=O)NCc1ccc(C(C)(C)O)cc1
178295119	ZINC000082790247	ref	2.48	-56.61	1	292.198	1.818	1	2	4	C[C@@H](C[NH3+])CS(=O)(=O)c1ccc(Br)cc1
342084611	ZINC000625347883	ref	1.88	-11.88	0	297.376	1.007	1	4	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)[C@H]1CCOC1)CO2
342599637	ZINC000590840424	mid	5.63	-31.49	1	295.427	1.507	2	2	6	CN(C(=O)C[N@@H+](CC(N)=O)C1CCCC1)C1CCCCC1
342599638	ZINC000590836304	ref	2.85	-20.16	0	292.314	1.021	3	3	5	CNC(=O)C[C@@H](C)NC(=O)NCc1ccc(C#N)cc1F
398247269	ZINC000097159625	ref	3.9	-50.24	1	219.292	0.784	2	3	5	Cc1n[nH]cc1C[NH2+]CCc1cnn(C)c1
398247272	ZINC000097159625	mid	3.82	-49.04	1	219.292	0.784	2	3	5	Cc1[nH]ncc1C[NH2+]CCc1cnn(C)c1
342599639	ZINC000590835976	ref	5.03	-14.92	0	261.256	1.702	1	3	1	N#Cc1ccc(NC(=O)N2CCO[C@@H]3C[C@@H]32)cc1F
398247275	ZINC000097159625	high	2.54	-9.68	0	219.292	0.784	2	4	5	Cc1n[nH]cc1CNCCc1cnn(C)c1
222609301	ZINC000125790787	ref	4.81	-44.6	1	347.419	1.69	2	5	5	CN(CC[NH+](C)C)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
185091077	ZINC000096081553	ref	1.95	-14.91	0	290.319	-0.036	1	4	3	COc1cccc(CC(=O)N2C[C@@H]3NC(=O)CO[C@H]3C2)c1
222609302	ZINC000125790787	high	2.32	-13.31	0	347.419	1.69	1	6	5	CN(C)CCN(C)C(=O)Nc1ccc2nc(N3CCOCC3)oc2c1
185091078	ZINC000096080493	ref	2.12	-10.14	0	274.364	1.691	1	3	3	CC(C)C(=O)N1C[C@@H]2CN(Cc3ccc(O)cc3)[C@@H]2C1
185091079	ZINC000096080493	mid	5.41	-48.17	1	274.364	1.691	2	2	3	CC(C)C(=O)N1C[C@@H]2[C@H](C1)C[N@@H+]2Cc1ccc(O)cc1
185091080	ZINC000096080493	mid	5.62	-49.8	1	274.364	1.691	2	2	3	CC(C)C(=O)N1C[C@@H]2[C@H](C1)C[N@H+]2Cc1ccc(O)cc1
214178474	ZINC000053370424	ref	8.51	-8.14	0	348.838	1.747	1	7	4	CN(C)c1nc(N)nc(CN2CCO[C@@H](c3ccc(Cl)cc3)C2)n1
398247278	ZINC000390751593	ref	2.14	-42.38	1	229.32	0.808	1	3	5	COCC1([NH2+]C[C@H]2CCOC2)CCOCC1
185091082	ZINC000096080179	ref	6.3	-104.72	2	277.412	0.93	3	1	2	C[NH+]1CCC2(CC1)C[N@H+](CC1CC1)C[C@@]21CCNC1=O
185091083	ZINC000096080179	mid	6.24	-101.49	2	277.412	0.93	3	1	2	C[NH+]1CCC2(CC1)C[N@@H+](CC1CC1)C[C@@]21CCNC1=O
185091084	ZINC000096080179	high	3.92	-41.31	1	277.412	0.93	2	2	2	CN1CCC2(CC1)C[N@H+](CC1CC1)C[C@@]21CCNC1=O
365625477	ZINC000625042042	ref	7.17	-18.68	0	307.438	2.408	2	2	6	CCC[C@H](NC(=O)N[C@@H]1CCN(C2CCC2)C1=O)C1CCC1
185091085	ZINC000096080179	high	3.84	-38.55	1	277.412	0.93	2	2	2	CN1CCC2(CC1)C[N@@H+](CC1CC1)C[C@@]21CCNC1=O
185091086	ZINC000096081343	ref	5.11	-14.66	0	297.318	0.825	1	4	2	O=C1C[C@@H]2[C@H](CCN2C(=O)c2c[nH]cn2)N1c1cccnc1
365625478	ZINC000625044515	ref	6.77	-8.56	0	318.417	2.159	0	3	2	C[C@H]1CN(C(=O)N2CCOC[C@H]2Cc2ccccc2)C[C@@H](C)O1
365625480	ZINC000336545542	ref	4.68	-9.03	0	282.409	2.029	1	2	5	CCCNS(=O)(=O)N1CC[C@H](c2cccc(C)c2)C1
365625484	ZINC000336545481	ref	8.77	-49.97	-1	265.353	2.28	0	3	3	O=C([O-])C[C@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1
365625487	ZINC000336544876	ref	6.43	-7.74	0	264.3	2.468	1	2	2	O=C(Nc1cccc(F)c1)N1CCO[C@H](C2CC2)C1
365625492	ZINC000336544701	ref	6.94	-8.02	0	274.343	2.118	0	4	3	Cn1ncnc1CN1CC[C@@](C)(c2ccc(F)cc2)C1
365625493	ZINC000336544701	mid	9.65	-49.29	1	274.343	2.118	1	3	3	Cn1ncnc1C[N@@H+]1CC[C@@](C)(c2ccc(F)cc2)C1
282120897	ZINC000341636644	mid	5.57	-43.87	1	346.435	-0.384	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1C[N@@H+](C3CC3)C[C@@H]1C)CC2
365625494	ZINC000336544701	mid	9.34	-50.42	1	274.343	2.118	1	3	3	Cn1ncnc1C[N@H+]1CC[C@@](C)(c2ccc(F)cc2)C1
342084612	ZINC000625348493	ref	6.82	-13.34	0	280.372	1.003	0	6	6	CCO[C@H](CN1CCO[C@H](c2nncn2C)C1)C1CC1
365625496	ZINC000336544860	ref	5.61	-55.5	1	282.384	2.365	1	3	3	Fc1cncc(C[NH2+][C@H]2CCO[C@]3(CCSC3)C2)c1
365625498	ZINC000336544860	high	4.43	-6.14	0	282.384	2.365	1	4	3	Fc1cncc(CN[C@H]2CCO[C@]3(CCSC3)C2)c1
365625500	ZINC000336545419	ref	8.22	-12.51	0	291.399	2.117	1	4	2	C[C@H]1CCCCN(C(=O)N[C@H](C)c2nnc3n2CCC3)C1
365625502	ZINC000336544792	ref	3.91	-12.43	0	284.45	2.362	0	4	3	C[C@H]1CN(Cc2nc(C3CC3)cs2)C[C@@H](C)[S@@]1=O
230740531	ZINC000414355666	ref	7.07	-10.33	0	302.374	3.255	1	3	7	C=CCC[C@H]1NC(=O)N(c2cccc(O[C@H](C)CC)c2)C1=O
365625504	ZINC000336545550	ref	6.68	-45.44	1	287.354	2.054	2	1	1	O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[N@@H+]2CCC[C@@H]2C1
365625506	ZINC000336545550	mid	7.14	-44.2	1	287.354	2.054	2	1	1	O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[N@H+]2CCC[C@@H]2C1
365625507	ZINC000336545550	high	5.03	-9.99	0	287.354	2.054	1	2	1	O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN2CCC[C@@H]2C1
185091087	ZINC000096081343	mid	4.89	-18.52	0	297.318	0.825	1	4	2	O=C1C[C@@H]2[C@H](CCN2C(=O)c2cnc[nH]2)N1c1cccnc1
199273211	ZINC000294963451	ref	3.78	-10.37	0	276.365	1.95	1	6	2	C[C@H]1[C@H](O)CCCN1c1nnc(-c2ccccn2)s1
365625508	ZINC000336544659	ref	5.43	-11.22	0	259.349	2.179	1	2	2	Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)N1CC(O)C1
365625510	ZINC000336544599	ref	0.69	-8.99	0	266.345	2.411	2	4	3	C[C@@H](NC(N)=O)c1noc(C2(C)CCCCCC2)n1
230740547	ZINC000414355390	ref	6.99	-10.15	0	323.19	3.149	1	2	4	C=CCC[C@@H]1NC(=O)N(c2cccc(Br)c2C)C1=O
342084613	ZINC000625348493	mid	7.87	-47.04	1	280.372	1.003	1	5	6	CCO[C@H](C[N@@H+]1CCO[C@H](c2nncn2C)C1)C1CC1
342084614	ZINC000625348493	mid	7.54	-48.02	1	280.372	1.003	1	5	6	CCO[C@H](C[N@H+]1CCO[C@H](c2nncn2C)C1)C1CC1
185091088	ZINC000096081285	ref	8.14	-48.79	1	260.337	1.865	1	2	4	O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccoc2)N1CC1CC1
185091089	ZINC000096081285	mid	7.93	-48.22	1	260.337	1.865	1	2	4	O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1CC1CC1
185091090	ZINC000096081285	high	5.68	-7.78	0	260.337	1.865	0	3	4	O=C1C[C@H]2[C@H](CCN2Cc2ccoc2)N1CC1CC1
185091091	ZINC000096080885	ref	8.92	-54.68	1	290.382	2.372	1	1	3	CC(C)C(=O)N1C[C@@H]2C[NH+](Cc3cccc(F)c3)C[C@H]2C1
185091092	ZINC000096080885	high	6.52	-10.01	0	290.382	2.372	0	2	3	CC(C)C(=O)N1C[C@@H]2CN(Cc3cccc(F)c3)C[C@H]2C1
290009819	ZINC000458863514	mid	7.38	-35.45	1	285.407	2.391	2	1	3	CC[N@H+]1CC[C@@H](N(C)C(=O)N[C@@H]2CCC[C@@H]2F)C[C@H]1C
185091094	ZINC000096081803	ref	3.37	-11.71	0	290.367	0.059	0	5	3	CN(C)C(=O)CN1CCO[C@H]2CN(c3ccccn3)C[C@H]21
185091095	ZINC000096080551	ref	5.92	-49.8	1	259.353	1.494	1	2	3	CC(C)C[N@@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]21
185091097	ZINC000096080551	mid	6.18	-50.11	1	259.353	1.494	1	2	3	CC(C)C[N@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]21
342084615	ZINC000625348447	ref	3.99	-9.77	0	299.383	1.964	0	3	5	COCC[C@@H](C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
185091098	ZINC000096080551	high	2.25	-9.73	0	259.353	1.494	0	3	3	CC(C)CN1C[C@H]2CN(C(=O)c3ccncc3)C[C@@H]21
185091099	ZINC000096080778	ref	2.45	-48.98	1	250.302	-0.693	2	4	3	Cn1cc(N2C[C@@H]3C[N@H+](CCO)C[C@@H]3C2=O)cn1
185091100	ZINC000096080778	mid	2.18	-47.65	1	250.302	-0.693	2	4	3	Cn1cc(N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2=O)cn1
185091102	ZINC000096080778	high	-0.16	-12.66	0	250.302	-0.693	1	5	3	Cn1cc(N2C[C@@H]3CN(CCO)C[C@@H]3C2=O)cn1
210256163	ZINC000265953622	ref	2.24	-12.51	0	360.458	0.554	1	5	6	C[C@@H](C(=O)NCCCN1C(=O)COc2ccccc21)N1CCN(C)CC1
299072463	ZINC000358088145	mid	8.92	-91.89	2	308.47	1.761	3	1	3	CC[N@H+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C
299072467	ZINC000358088145	mid	8.92	-91.89	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C
178305214	ZINC000019487676	ref	9.23	-17.17	0	213.284	2.957	0	3	3	Cc1cc2ncn(CCCC#N)c2cc1C
185091107	ZINC000096080555	ref	0.54	-13.08	0	282.347	1.366	1	3	3	O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccc[nH]3)[C@H]2C1
230235212	ZINC000336834379	mid	-1.78	-51.86	1	286.332	-1.467	5	4	4	CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@](O)(C(N)=O)C1
342084616	ZINC000608933347	ref	4.94	-9.89	0	297.694	1.816	1	5	3	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2
178295108	ZINC000237065163	ref	4.72	-51.06	1	374.304	1.698	2	3	5	CN(CC(=O)NC[C@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)s1
398247271	ZINC000649444390	mid	5.15	-7.07	0	241.216	3.053	1	2	2	CCc1cccc(-c2cc(C(F)(F)F)n[nH]2)n1
214178483	ZINC000053361669	ref	5.63	-15.59	0	325.324	2.074	0	6	3	C[C@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2ccco2)oc1=O
214178488	ZINC000053357678	ref	7.72	-18.36	0	338.436	3.414	1	4	4	O=C(CSc1ccncc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1
178295113	ZINC000237059446	ref	7.81	-55.67	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1
178295116	ZINC000237056926	ref	2.51	-51.34	1	353.488	1.468	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1
365625481	ZINC000625043757	ref	4.88	-10.51	0	319.373	2.32	0	3	5	CCOC[C@H]1CCN(S(=O)(=O)c2ccc(C)c(F)c2F)C1
178295120	ZINC000237062093	ref	3.02	-48.21	1	368.503	1.459	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1
214178495	ZINC000053355942	ref	7.57	-10.48	0	327.384	2.344	0	4	2	CC(=O)N1CCCN(C(=O)c2nc(-c3ccccc3)oc2C)CC1
214178497	ZINC000053367664	ref	1.37	-20.58	0	349.437	1.849	3	4	5	NS(=O)(=O)c1cc(C(=O)NCCc2c[nH]c3ccccc23)cs1
214178502	ZINC000053361899	ref	3.18	-27.92	0	328.284	1.445	2	7	4	O=C(Cn1nc(-c2ccco2)oc1=O)NC(=O)Nc1ccccc1
214178507	ZINC000053367898	ref	6.49	-14.96	0	345.487	2.42	2	3	10	CCCNC(=O)CN(CCC)CC(=O)NC1(c2ccccc2)CCC1
214178512	ZINC000053367898	low	8.37	-42.1	1	345.487	2.42	3	2	10	CCCNC(=O)C[N@H+](CCC)CC(=O)NC1(c2ccccc2)CCC1
214178516	ZINC000053367898	low	8.39	-43.44	1	345.487	2.42	3	2	10	CCCNC(=O)C[N@@H+](CCC)CC(=O)NC1(c2ccccc2)CCC1
214178520	ZINC000053355702	ref	8.59	-14.95	0	326.849	2.513	0	3	3	CC(=O)N1CCCN(C(=O)CSc2ccccc2Cl)CC1
214178524	ZINC000053363725	ref	7.99	-17.62	0	325.372	1.988	1	6	4	COc1cc(CNC(=O)c2nc3nc(C)cc(C)n3n2)ccc1C
214178532	ZINC000053366072	ref	10.68	-11.17	0	327.432	2.368	0	6	5	Cc1ccc2c(c1)c(=O)n(C)c1nnc(CN(C)CCC(C)C)n21
365625483	ZINC000625044859	ref	4.07	-11.57	0	307.387	2.447	1	3	3	Cc1ccc(S(=O)(=O)N[C@H]2CCCSC2)c(F)c1F
214178536	ZINC000053366072	mid	12.87	-51.62	1	327.432	2.368	1	5	5	Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@@H+](C)CCC(C)C)n21
398247274	ZINC000649444438	ref	5.86	-9.36	0	238.237	2.997	0	3	3	Cc1c(-c2ccc(OC(F)F)cc2)cnn1C
342599640	ZINC000590840396	ref	2.9	-16.74	0	281.4	1.117	1	3	5	C[C@@H]1CCCCN1C(=O)CN(CC(N)=O)C1CCCC1
365625485	ZINC000625044859	high	4.38	-45.57	-1	307.387	2.447	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@H]2CCCSC2)c(F)c1F
365625486	ZINC000625044330	ref	4.6	-39.08	1	313.825	2.317	3	3	8	C[N@H+](CCOc1ccccc1Cl)C[C@@H](O)CC1(O)CCC1
398247273	ZINC000650865458	ref	3.23	-12.99	0	265.357	1.345	2	3	6	Cc1ccc(CCNC(=O)N(C)[C@H](C)CCO)cn1
365625488	ZINC000625044330	mid	4.6	-38.5	1	313.825	2.317	3	3	8	C[N@@H+](CCOc1ccccc1Cl)C[C@@H](O)CC1(O)CCC1
398247277	ZINC000650868653	ref	-0.34	-10.49	0	270.304	1.473	4	3	6	C[C@H](NC(=O)N[C@@H](CO)CCF)c1cccc(O)c1
342599641	ZINC000590840396	mid	4.68	-43.42	1	281.4	1.117	2	2	5	C[C@@H]1CCCCN1C(=O)C[N@H+](CC(N)=O)C1CCCC1
342599642	ZINC000590840396	mid	4.63	-43.7	1	281.4	1.117	2	2	5	C[C@@H]1CCCCN1C(=O)C[N@@H+](CC(N)=O)C1CCCC1
342599643	ZINC000590835705	ref	6.35	-10.84	0	253.321	1.926	1	2	3	CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[C@](F)(C#N)C1
342599644	ZINC000616994766	ref	4.96	-44.23	1	250.346	1.26	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnc[nH]2)C1
365625490	ZINC000625044330	high	2.19	-8.33	0	313.825	2.317	2	4	8	CN(CCOc1ccccc1Cl)C[C@@H](O)CC1(O)CCC1
342599645	ZINC000616994766	mid	5.01	-44.62	1	250.346	1.26	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnc[nH]2)C1
197599307	ZINC000290111941	ref	5.39	-35.4	1	290.205	2.049	1	3	7	CC[C@H](C[NH2+][C@@H](C)Cn1cc(Br)cn1)OC
365638895	ZINC000274370974	ref	1.55	-12.82	0	292.339	1.821	3	5	6	CCc1nn(C)cc1NC(=O)N[C@H](CCO)c1ccco1
365638898	ZINC000274368291	ref	-0.64	-8.36	0	262.309	1.902	3	5	6	Cc1ccc(O)c(CN[C@H](CCO)c2ccco2)n1
365638902	ZINC000274368291	mid	0.4	-37.88	1	262.309	1.902	3	4	6	Cc1ccc(O)c(C[NH2+][C@H](CCO)c2ccco2)n1
230740533	ZINC000425559010	ref	6.6	-10.55	0	318.421	2.232	2	4	4	CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@H]2CC23CC3)[C@@H]1n1cccn1
178305219	ZINC000019487676	low	9.71	-43.7	1	213.284	2.957	0	2	3	Cc1cc2[nH+]cn(CCCC#N)c2cc1C
365638903	ZINC000274368291	high	0.11	-45.41	-1	262.309	1.902	2	5	6	Cc1ccc([O-])c(CN[C@H](CCO)c2ccco2)n1
365638905	ZINC000274369543	ref	0.54	-12.9	0	293.323	1.113	1	5	2	COc1ccc(NC(=O)N2CCO[C@]3(CCOC3)C2)cn1
365638908	ZINC000274370723	ref	3.88	-5.1	0	267.304	1.174	0	5	2	CCc1ncnc(N2CCO[C@]3(CCOC3)C2)c1F
365638911	ZINC000274370981	ref	6.83	-18.63	0	288.307	1.553	2	5	6	CC(=O)OCCCc1cccc(NC(=O)c2nc[nH]n2)c1
365625489	ZINC000617390710	ref	3.24	-10.43	0	277.324	0.917	0	5	2	C[C@]1(C2CC2)CN(C(=O)c2cc3n(n2)CCO3)CCO1
365625491	ZINC000617391457	ref	5.01	-9.88	0	266.341	0.492	0	3	2	CN1CC[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1=O
398247276	ZINC000649444414	ref	6.56	-5.49	0	215.296	3.258	1	1	1	C=C(C)c1cc(C)c2c(c1)C(C)(C)C(=O)N2
342084617	ZINC000608932833	ref	5.88	-17.03	0	260.253	1.889	1	5	3	Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccn(C)n1
185091106	ZINC000077067705	ref	6.07	-7.63	0	303.431	2.498	1	5	3	CCn1nc2c(c([C@@H](N)c3cccs3)c1=O)C[C@@H](C)CC2
185091108	ZINC000077067705	mid	6.41	-39.67	1	303.431	2.498	1	4	3	CCn1nc2c(c([C@@H]([NH3+])c3cccs3)c1=O)C[C@@H](C)CC2
342084618	ZINC000608933348	ref	5.67	-15.49	0	297.694	1.816	1	5	3	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cc2c(cc1Cl)OCO2
349533570	ZINC000621226976	ref	5.37	-17.02	0	290.285	2.392	2	2	4	Cc1c[nH]cc(C(=O)NCC(C)(C)CC(F)(F)F)c1=O
398249352	ZINC000651465187	ref	5.44	-29.97	1	288.366	3.069	2	2	5	Cc1cc(NCCC2(CO)CCC2)c2cc(F)ccc2[nH+]1
349533573	ZINC000621226533	ref	4.83	-14.52	0	290.754	2.06	2	3	3	O=C(CNc1ccccc1Cl)N1CCc2n[nH]cc2C1
398249354	ZINC000651465187	mid	5.06	-7.18	0	288.366	3.069	2	3	5	Cc1cc(NCCC2(CO)CCC2)c2cc(F)ccc2n1
178295124	ZINC000082790213	ref	1.75	-45.25	1	278.171	1.57	1	2	3	C[C@@H](C[NH3+])S(=O)(=O)c1ccccc1Br
349533575	ZINC000621226602	ref	4.55	-11.42	0	275.274	2.493	1	3	4	Cc1nnccc1C(=O)NCC(C)(C)CC(F)(F)F
349533577	ZINC000621229440	ref	5.99	-11.0	0	291.317	2.448	1	3	6	Cn1cc(CCC(=O)NCC(C)(C)CC(F)(F)F)cn1
349533579	ZINC000621229179	ref	3.09	-7.55	0	267.276	2.247	1	4	4	CC(C)(CNC(=O)c1csnn1)CC(F)(F)F
190492528	ZINC000269411223	ref	2.52	-12.31	0	261.285	0.918	2	5	6	CCCOc1ncccc1CNC(=O)c1nnc[nH]1
178295125	ZINC000082790213	high	1.34	-10.36	0	278.171	1.57	1	3	3	C[C@@H](CN)S(=O)(=O)c1ccccc1Br
342084619	ZINC000608932656	ref	5.35	-16.69	0	286.441	1.941	2	3	7	CSCCNC(=O)C[C@H](C)NC(=O)C1CCCCC1
342084620	ZINC000608932915	ref	6.81	-9.04	0	253.323	1.516	0	4	4	COC(=O)[C@H]1C[C@@H]1C(=O)N(C)Cc1ccsc1
398249355	ZINC000651464025	ref	9.87	-6.73	0	267.438	3.167	0	2	2	CC1(C)CN(C(=O)[C@H]2C[C@@H]2C2CCCC2)CCS1
398249356	ZINC000651465520	ref	3.74	-10.61	0	286.375	3.208	2	4	6	COc1cccc2c(NCCC3(CO)CCC3)ccnc12
168365756	ZINC000054161398	ref	1.02	-37.42	1	167.212	0.837	1	3	3	C[C@@H]([NH3+])Cc1noc(C2CC2)n1
342084621	ZINC000608920635	ref	6.03	-42.83	1	257.403	1.229	2	2	4	CSCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1
349533571	ZINC000093235031	mid	5.08	-44.95	1	279.34	0.754	2	4	7	COC(=O)CNC(=O)CC[N@@H+](C)[C@H](C)c1cccnc1
282120898	ZINC000269043258	mid	6.41	-35.27	1	319.493	3.01	3	2	10	CCC(CC)(CN[C@@H](C)CC(=O)NC)[NH2+][C@@H](C)c1ccccc1
222609306	ZINC000170625552	ref	6.62	-21.36	0	372.45	2.599	2	5	6	Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3)C2=O)sc1C
282120900	ZINC000269043258	low	7.25	-110.73	2	319.493	3.01	3	1	10	CCC(CC)(C[NH2+][C@@H](C)CC(=O)NC)[NH2+][C@@H](C)c1ccccc1
282120902	ZINC000192703478	ref	7.58	-50.49	1	331.416	2.553	2	4	7	CCC(CC)(C[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1)C(=O)OC
282120904	ZINC000192703478	mid	6.6	-11.41	0	331.416	2.553	2	5	7	CCC(CC)(CN[C@@H](C)c1nc2ccccc2c(=O)[nH]1)C(=O)OC
168365757	ZINC000059209916	ref	-4.35	-40.68	1	61.084	-0.717	2	1	0	C[C@@H]([NH3+])O
178295123	ZINC000237058013	ref	2.62	-67.2	1	367.515	1.907	3	3	7	CCS(=O)(=O)NCc1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1
178295128	ZINC000237057190	ref	3.97	-65.65	1	353.488	1.198	2	3	7	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H](C[NH2+]C)C2)cc1
178295132	ZINC000237061112	ref	5.44	-66.48	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H](C[NH3+])C2CC2)c1
342084622	ZINC000608920635	high	3.64	-10.12	0	257.403	1.229	1	3	4	CSCCNC(=O)N1CC[C@@H](N2CCCC2)C1
185091109	ZINC000096080555	low	5.63	-53.82	1	282.347	1.366	2	2	3	O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccc[nH]3)[C@H]2C1
190492529	ZINC000269411223	mid	2.24	-8.49	0	261.285	0.918	2	5	6	CCCOc1ncccc1CNC(=O)c1ncn[nH]1
282120906	ZINC000414141538	ref	6.92	-44.98	1	328.434	2.56	1	6	8	CCC(CC)(C[NH2+][C@@H](C)c1ncc(C(=O)OC)s1)C(=O)OC
342084623	ZINC000608932140	ref	3.91	-11.32	0	295.408	1.315	2	4	7	CSCCNC(=O)[C@H](NC(=O)c1ccccn1)C(C)C
342084624	ZINC000625349737	ref	3.98	-8.87	0	261.387	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)CCOC(C)C)C1
342084625	ZINC000608934531	ref	7.35	-13.94	0	291.303	1.529	1	5	4	COC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C(=O)OC)c1C
342084626	ZINC000608932917	ref	6.99	-13.61	0	253.323	1.516	0	4	4	COC(=O)[C@H]1C[C@H]1C(=O)N(C)Cc1ccsc1
342084627	ZINC000621358281	ref	2.18	-45.21	1	293.411	1.417	2	4	9	CCOc1cncc(C[NH2+]C[C@H]2CCCN2CCCO)c1
342084628	ZINC000621358281	mid	3.04	-36.62	1	293.411	1.417	3	4	9	CCOc1cncc(CNC[C@H]2CCC[N@@H+]2CCCO)c1
342084629	ZINC000621358281	mid	2.4	-39.42	1	293.411	1.417	3	4	9	CCOc1cncc(CNC[C@H]2CCC[N@H+]2CCCO)c1
342084630	ZINC000621358281	high	0.82	-5.76	0	293.411	1.417	2	5	9	CCOc1cncc(CNC[C@H]2CCCN2CCCO)c1
342084631	ZINC000608934528	ref	7.1	-10.62	0	291.303	1.529	1	5	4	COC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)OC)c1C
342084632	ZINC000625348501	ref	5.5	-12.73	0	280.372	1.003	0	6	6	CCO[C@@H](CN1CCO[C@H](c2nncn2C)C1)C1CC1
342084633	ZINC000625348501	mid	8.17	-47.7	1	280.372	1.003	1	5	6	CCO[C@@H](C[N@@H+]1CCO[C@H](c2nncn2C)C1)C1CC1
342084634	ZINC000625348501	mid	7.66	-47.31	1	280.372	1.003	1	5	6	CCO[C@@H](C[N@H+]1CCO[C@H](c2nncn2C)C1)C1CC1
342084635	ZINC000608932255	ref	5.6	-15.6	0	276.427	1.167	1	4	6	CCCC(=O)N1CSC[C@@H]1C(=O)NCCSC
282120899	ZINC000341636644	mid	2.72	-11.91	0	346.435	-0.384	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N[C@@H]1CN(C3CC3)C[C@@H]1C)CC2
342084636	ZINC000608933988	ref	7.31	-13.23	0	272.264	1.531	0	5	2	Cn1ccc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)n1
342084637	ZINC000608920349	ref	2.14	-13.08	0	254.355	1.597	3	3	6	CSCCNC(=O)NCCc1ccc(O)cc1
185091110	ZINC000096080555	low	5.1	-56.03	1	282.347	1.366	2	2	3	O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccc[nH]3)[C@H]2C1
185091112	ZINC000096081139	ref	3.92	-17.37	0	274.32	0.727	1	3	3	COc1cccc(CC(=O)N2CC[C@H]3NC(=O)C[C@H]32)c1
342084638	ZINC000608934421	ref	5.48	-12.45	0	283.305	1.282	1	6	4	COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C(=O)OC)s1
342084639	ZINC000625348412	ref	4.21	-9.3	0	253.314	1.702	0	2	2	C[C@@H]1CN(S(=O)(=O)C2CC2)C[C@@H](C)C1(F)F
342084640	ZINC000608932655	ref	5.35	-16.78	0	286.441	1.941	2	3	7	CSCCNC(=O)C[C@@H](C)NC(=O)C1CCCCC1
185091113	ZINC000096081104	ref	11.75	-102.9	2	272.436	3.24	2	0	6	CCCCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1
185091114	ZINC000096081104	mid	9.18	-36.47	1	272.436	3.24	1	1	6	CCCCC[NH+]1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1
323004233	ZINC000150969089	ref	4.21	-7.75	0	248.392	1.551	0	2	4	CC(C)C[C@H]1CCCN(S(=O)(=O)N(C)C)C1
185091119	ZINC000096080626	ref	8.11	-44.87	1	293.346	0.072	1	4	4	C[NH+](C)CCN1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1=O
185091120	ZINC000096080626	high	5.63	-11.15	0	293.346	0.072	0	5	4	CN(C)CCN1C[C@@H]2CN(c3ncc(F)cn3)C[C@@H]2C1=O
185091121	ZINC000096081093	ref	8.31	-42.76	1	293.414	2.645	1	2	4	c1ccc(C[N@H+]2C[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)cc1
342084641	ZINC000625348483	ref	3.99	-11.24	0	299.383	1.966	0	3	6	COCCCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
259308879	ZINC000187713901	mid	10.27	-38.18	1	235.375	2.955	1	2	4	CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1
342084642	ZINC000625347947	ref	4.97	-56.07	1	287.367	1.376	1	5	5	COc1cncc(C[N@H+](C)C[C@H]2CCc3nccn3C2)n1
342599646	ZINC000590840369	ref	0.08	-16.07	0	296.396	1.331	2	5	6	CC(=O)Nc1nc(CN(CC(N)=O)C2CCCC2)cs1
342599647	ZINC000590836362	ref	4.57	-8.84	0	277.29	1.963	0	4	4	Cn1ccnc1CN1CCC[C@H](OCC(F)(F)F)C1
342599648	ZINC000590836362	low	4.92	-31.84	1	277.29	1.963	0	3	4	Cn1cc[nH+]c1CN1CCC[C@H](OCC(F)(F)F)C1
365625495	ZINC000617393585	ref	5.11	-18.27	0	254.33	0.54	1	3	4	CCNC(=O)CC(=O)N1CCO[C@](C)(C2CC2)C1
342599649	ZINC000590840397	ref	2.87	-16.52	0	281.4	1.117	1	3	5	C[C@H]1CCCCN1C(=O)CN(CC(N)=O)C1CCCC1
342599650	ZINC000590840397	mid	4.65	-43.24	1	281.4	1.117	2	2	5	C[C@H]1CCCCN1C(=O)C[N@H+](CC(N)=O)C1CCCC1
365625497	ZINC000617393529	ref	5.24	-14.19	0	296.367	0.261	0	4	2	CC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
197599316	ZINC000290112198	ref	8.91	-44.4	1	290.382	3.374	2	2	7	CCc1ccc(CN[C@@H](C[NH+](C)C)c2ccc(F)cc2)o1
197599318	ZINC000290112198	mid	7.46	-5.0	0	290.382	3.374	1	3	7	CCc1ccc(CN[C@@H](CN(C)C)c2ccc(F)cc2)o1
365625499	ZINC000617393584	ref	4.82	-18.37	0	254.33	0.54	1	3	4	CCNC(=O)CC(=O)N1CCO[C@@](C)(C2CC2)C1
365625501	ZINC000617391485	ref	7.01	-14.92	0	263.341	0.99	0	4	3	Cn1cncc1CC(=O)N1CCO[C@@](C)(C2CC2)C1
197599319	ZINC000290112198	low	8.17	-39.83	1	290.382	3.374	1	2	7	CCc1ccc(C[NH2+][C@@H](CN(C)C)c2ccc(F)cc2)o1
342599651	ZINC000590840397	mid	4.63	-43.55	1	281.4	1.117	2	2	5	C[C@H]1CCCCN1C(=O)C[N@@H+](CC(N)=O)C1CCCC1
342599652	ZINC000616994601	ref	5.26	-38.36	1	281.444	1.707	3	1	3	C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
365625503	ZINC000617391485	low	7.53	-37.3	1	263.341	0.99	0	3	3	Cn1c[nH+]cc1CC(=O)N1CCO[C@@](C)(C2CC2)C1
299072464	ZINC000567665836	ref	7.47	-41.72	1	272.392	2.349	1	1	4	[NH3+][C@H](CC(=O)N1CCC2(CCC2)C1)Cc1ccccc1
398247279	ZINC000650868553	ref	4.54	-41.31	1	283.416	1.131	3	2	6	C[C@H](CO)C1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1
187169781	ZINC000125105931	high	4.03	-4.07	0	277.261	2.705	2	2	5	O[C@H](CNCc1cc(F)cc(C(F)(F)F)c1)C1CC1
178295135	ZINC000237055883	ref	5.33	-51.32	1	358.486	1.093	1	3	5	CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1
365625505	ZINC000617392325	ref	5.44	-13.81	0	263.341	0.99	0	4	3	Cn1nccc1CC(=O)N1CCO[C@@](C)(C2CC2)C1
342599653	ZINC000616994601	mid	5.19	-38.02	1	281.444	1.707	3	1	3	C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
365625509	ZINC000617391458	ref	4.96	-9.66	0	266.341	0.492	0	3	2	CN1CC[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1=O
342599654	ZINC000616994601	mid	7.45	-80.48	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214178492	ZINC000337609156	ref	1.76	-11.95	0	289.372	0.33	2	5	9	CCOCCOC[C@H](O)CNC(=O)[C@@H]1O[C@@H](C)C[C@@H]1C
185091123	ZINC000096081093	mid	8.31	-42.48	1	293.414	2.645	1	2	4	c1ccc(C[N@@H+]2C[C@@H]3CN(Cc4ccncc4)C[C@@H]3C2)cc1
342599655	ZINC000616994601	mid	7.37	-80.12	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599656	ZINC000616994601	mid	5.26	-38.36	1	281.444	1.707	2	2	3	CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
210256168	ZINC000265953622	mid	4.6	-37.08	1	360.458	0.554	2	4	6	C[C@@H](C(=O)NCCCN1C(=O)COc2ccccc21)N1CC[NH+](C)CC1
185091124	ZINC000096081093	low	10.73	-116.07	2	293.414	2.645	2	1	4	c1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1
178295138	ZINC000237055883	high	5.02	-12.38	0	358.486	1.093	1	4	5	CC[C@H](C)[C@@H](N)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1
178295140	ZINC000237061903	ref	3.61	-58.51	1	360.277	1.436	2	3	6	CN(CC(=O)NC[C@@H]([NH3+])C1CC1)C(=O)c1ccc(Br)s1
342599657	ZINC000616994601	mid	5.19	-38.02	1	281.444	1.707	2	2	3	CN1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
185091125	ZINC000096081093	low	10.72	-116.92	2	293.414	2.645	2	1	4	c1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1
365625511	ZINC000617393732	ref	3.19	-8.48	0	268.357	0.346	0	4	3	C[C@@]1(C2CC2)CN(C(=O)CN2CCOCC2)CCO1
214178499	ZINC000337607312	ref	2.38	-11.5	0	295.305	0.912	1	3	3	O=C(NC[C@H]1CCOC1)N1CCN(CC(F)(F)F)CC1
185091127	ZINC000096081093	low	10.82	-116.42	2	293.414	2.645	2	1	4	c1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccncc4)C[C@H]3C2)cc1
365625513	ZINC000617391679	ref	4.48	-11.84	0	293.367	0.351	1	5	4	Cn1cc(C[C@H](O)C(=O)N2CCO[C@](C)(C3CC3)C2)cn1
185091129	ZINC000096081093	low	10.82	-117.58	2	293.414	2.645	2	1	4	c1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]3C2)cc1
185386283	ZINC000096751832	ref	7.59	-59.28	-1	310.306	1.735	1	6	10	O=C([O-])CCCNC(=O)CCCOc1ccccc1[N+](=O)[O-]
398247280	ZINC000097159483	ref	3.09	-45.93	1	249.289	1.68	3	2	5	Cc1n[nH]cc1C[NH2+]C[C@@H](O)c1ccccc1F
398247282	ZINC000097159483	low	3.01	-44.4	1	249.289	1.68	3	2	5	Cc1[nH]ncc1C[NH2+]C[C@@H](O)c1ccccc1F
185091439	ZINC000096081739	high	3.58	-4.78	0	287.407	1.767	0	4	4	c1cc(CN2CCO[C@H]3CN(CC4CCC4)C[C@H]32)ccn1
349533572	ZINC000093235031	high	3.03	-10.03	0	279.34	0.754	1	5	7	COC(=O)CNC(=O)CCN(C)[C@H](C)c1cccnc1
214178496	ZINC000278477557	ref	5.42	-54.67	1	322.43	1.419	1	3	6	CC(C)(C)[S@](=O)CC[NH2+]CCN1C(=O)c2ccccc2C1=O
365625512	ZINC000336545045	ref	5.84	-35.67	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)s1
342084643	ZINC000625347947	mid	5.6	-57.28	1	287.367	1.376	1	5	5	COc1cncc(C[N@@H+](C)C[C@H]2CCc3nccn3C2)n1
342084644	ZINC000625347947	mid	5.43	-98.02	2	287.367	1.376	1	4	5	COc1cncc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1
192339911	ZINC000273863884	ref	-0.88	-13.27	0	293.279	1.283	2	7	5	COc1cc(C(=O)N[C@@H](C)c2ncon2)cc(OC)c1O
192339914	ZINC000273863884	high	0.15	-54.57	-1	293.279	1.283	1	7	5	COc1cc(C(=O)N[C@@H](C)c2ncon2)cc(OC)c1[O-]
342084645	ZINC000625347947	mid	6.06	-99.37	2	287.367	1.376	1	4	5	COc1cncc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)n1
178295149	ZINC000082790220	ref	2.27	-48.04	1	292.198	1.96	1	2	4	C[C@H](CC[NH3+])S(=O)(=O)c1ccccc1Br
342084646	ZINC000625347947	high	3.38	-10.98	0	287.367	1.376	0	6	5	COc1cncc(CN(C)C[C@H]2CCc3nccn3C2)n1
214178498	ZINC000278477557	high	4.07	-19.08	0	322.43	1.419	1	4	6	CC(C)(C)[S@](=O)CCNCCN1C(=O)c2ccccc2C1=O
214178501	ZINC000278476244	ref	5.01	-8.7	0	304.369	3.276	1	5	6	Cc1nc(F)ccc1CN[C@@H](c1nc(C2CC2)no1)C(C)C
398247281	ZINC000650868553	mid	4.54	-41.56	1	283.416	1.131	3	2	6	C[C@H](CO)C1CCN(C(=O)NCC[N@@H+](C)C2CC2)CC1
342084647	ZINC000608933919	ref	6.82	-11.33	0	279.34	1.416	1	5	3	COC(=O)C1(NC(=O)c2ccn(C)n2)CCCCCC1
349533574	ZINC000093231031	ref	3.17	-46.38	1	286.353	0.444	2	5	8	COC(=O)C[C@@H](NC(=O)COCC[NH3+])c1cccs1
342084648	ZINC000625348548	ref	3.93	-9.74	0	297.367	1.717	0	3	2	C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084649	ZINC000625349797	ref	3.43	-10.83	0	267.35	1.38	1	3	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)C1CC1)CO2
342084650	ZINC000625347888	ref	1.81	-12.68	0	297.376	1.007	1	4	3	Cc1cccc2c1C[C@H](NS(=O)(=O)[C@@H]1CCOC1)CO2
342084651	ZINC000625348414	ref	4.23	-9.21	0	253.314	1.702	0	2	2	C[C@H]1CN(S(=O)(=O)C2CC2)C[C@@H](C)C1(F)F
214178505	ZINC000278476244	low	5.86	-51.39	1	304.369	3.276	1	4	6	Cc1nc(F)ccc1C[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C
214178509	ZINC000278477702	ref	8.41	-13.66	0	321.377	2.058	0	5	5	COC(C)(C)CC(=O)N1CCN(c2cccc([N+](=O)[O-])c2)CC1
342084652	ZINC000608932452	ref	5.78	-11.64	0	298.32	1.459	1	6	5	CSCCNC(=O)c1cc([N+](=O)[O-])cc2c1OCCO2
342084653	ZINC000616407836	ref	4.39	-8.18	0	263.341	1.653	1	4	6	COCn1ccc(C(=O)NC[C@@H]2C[C@H]2C2CCC2)n1
136228698	ZINC000283937960	ref	3.3	-10.17	0	217.268	1.168	2	2	3	CC#CC(=O)NC[C@H](O)c1ccc(C)cc1
136228699	ZINC000283938141	ref	7.85	-7.54	0	219.328	2.603	0	1	2	C=CC[C@H]1N(C(=O)C#CC)CCCC1(C)C
365625514	ZINC000336545045	mid	5.58	-32.09	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1
398247283	ZINC000650868553	high	2.24	-10.42	0	283.416	1.131	2	3	6	C[C@H](CO)C1CCN(C(=O)NCCN(C)C2CC2)CC1
349533576	ZINC000093231189	ref	2.79	-51.16	1	253.258	0.186	2	4	7	[NH3+]CCOCC(=O)NCc1ccc([N+](=O)[O-])cc1
398247285	ZINC000650868623	ref	6.82	-15.35	0	283.331	1.501	1	4	3	O=C(NCc1cc(=O)n2ccccc2n1)[C@H]1CC12CCC2
398247287	ZINC000650864872	ref	6.68	-37.06	1	297.443	1.975	3	2	8	CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)COCC1CC1
398247291	ZINC000650864872	mid	5.94	-36.72	1	297.443	1.975	3	2	8	CC[N@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)COCC1CC1
398247293	ZINC000650864872	high	4.65	-5.64	0	297.443	1.975	2	3	8	CCN1CCCC[C@H]1CNC(=O)N[C@@H](C)COCC1CC1
342084654	ZINC000608934362	ref	5.08	-11.99	0	295.245	1.737	1	5	3	COC(=O)c1cc(NC(=O)c2ccn(C)n2)c(F)cc1F
342084655	ZINC000625349795	ref	2.2	-13.26	0	275.312	1.096	2	6	5	CNc1cnc(C(=O)NCCc2c(C)noc2C)cn1
398249353	ZINC000069839394	ref	2.35	-48.3	1	230.308	0.428	2	3	6	COC(=O)[C@@H](NC(=O)CC[C@H](C)[NH3+])C(C)C
412491658	ZINC000516188752	ref	4.65	-14.94	0	319.369	-0.04	2	8	5	CC(C)(CC#N)CNC(=O)c1nc(N)nc(N2CCOCC2)n1
190492530	ZINC000269411223	mid	2.23	-16.01	0	261.285	0.918	2	5	6	CCCOc1ncccc1CNC(=O)c1nc[nH]n1
166173009	ZINC000306227119	ref	5.43	-4.5	0	170.643	2.421	0	2	3	C=CCCn1ncc(Cl)c1C
342084656	ZINC000608933218	ref	4.26	-17.44	0	289.295	1.17	2	6	6	Cn1ccc(C(=O)NCCNc2ccccc2[N+](=O)[O-])n1
342084657	ZINC000608932799	ref	5.6	-11.5	0	291.303	1.595	1	5	3	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc2c(c1)OCCCO2
342084658	ZINC000608932804	ref	5.59	-14.29	0	291.303	1.595	1	5	3	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc2c(c1)OCCCO2
342084659	ZINC000625348484	ref	3.75	-7.75	0	284.4	1.125	0	4	5	CCN1CCN(CCOC2CCOCC2)C(C)(C)C1=O
342084660	ZINC000625348484	mid	5.46	-42.38	1	284.4	1.125	1	3	5	CCN1CC[N@H+](CCOC2CCOCC2)C(C)(C)C1=O
342084661	ZINC000625348484	mid	5.8	-40.38	1	284.4	1.125	1	3	5	CCN1CC[N@@H+](CCOC2CCOCC2)C(C)(C)C1=O
342084662	ZINC000621358280	ref	1.35	-51.4	1	293.411	1.417	2	4	9	CCOc1cncc(C[NH2+]C[C@@H]2CCCN2CCCO)c1
342084663	ZINC000621358280	mid	2.37	-38.94	1	293.411	1.417	3	4	9	CCOc1cncc(CNC[C@@H]2CCC[N@@H+]2CCCO)c1
178295145	ZINC000237056104	ref	6.41	-59.77	1	365.499	1.298	1	3	5	C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)CC1
282120905	ZINC000333585919	ref	6.96	-14.37	0	297.362	1.349	1	6	2	Cc1nc2n(n1)C[C@H](Nc1ccc3c(n1)CCCC3=O)CC2
178295148	ZINC000237056967	ref	4.64	-49.29	1	358.442	1.171	3	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)ccc21
282120909	ZINC000339868053	ref	4.6	-15.79	0	324.344	0.528	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1)CC2
178295150	ZINC000237056967	high	3.35	-21.81	0	358.442	1.171	3	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[C@@H](O)CN3)ccc21
214178514	ZINC000337606243	ref	-4.05	-20.0	0	273.314	-0.583	2	5	5	COc1cc(C(=O)NCCS(N)(=O)=O)cc(C)n1
178295152	ZINC000237064533	ref	3.8	-72.36	1	361.49	1.497	2	4	4	CN1C(=O)CC[C@@H](C(=O)NCC2([NH3+])CCCCCC2)[C@H]1c1cnn(C)c1
214178517	ZINC000337607423	ref	2.62	-11.03	0	257.33	0.459	1	4	7	C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(C)CCOCCO
178295158	ZINC000237059453	ref	4.27	-51.15	1	367.515	1.979	2	3	7	CN(C)C(=O)c1cccc(S(=O)(=O)NCC[NH2+]C2CCCCCC2)c1
178295160	ZINC000237055918	ref	5.47	-66.09	1	359.451	1.685	1	3	4	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CC[C@@H]([NH3+])C1
168365394	ZINC000368506621	mid	11.88	-50.81	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21
178295163	ZINC000237066358	ref	1.57	-53.02	1	353.366	1.321	3	3	7	C[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
168365395	ZINC000368506621	mid	12.04	-91.5	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21
168365758	ZINC000043296920	ref	4.01	-40.0	1	187.327	2.563	1	1	2	C[C@@H]([NH3+])[C@@H](OC(C)(C)C)C(C)(C)C
178295165	ZINC000237066358	high	1.19	-72.51	0	353.366	1.321	2	3	7	C[NH2+]C[C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1
178295167	ZINC000237063065	ref	6.49	-90.03	2	374.464	1.642	3	4	6	Cc1c(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)nnn1C1CC[NH2+]CC1
178295171	ZINC000237063065	mid	3.98	-52.73	1	374.464	1.642	2	5	6	Cc1c(C(=O)NCc2ccc(F)c(CN(C)C)c2)nnn1C1CC[NH2+]CC1
214178521	ZINC000337607863	ref	7.67	-43.05	1	272.458	2.174	1	2	4	CSCC(C)(C)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1
178295174	ZINC000237062829	ref	1.65	-48.0	1	354.35	1.783	2	4	6	C[NH2+]C[C@H](C)C(=O)Nc1cc(S(=O)(=O)C(F)(F)F)ccc1OC
214178525	ZINC000337607863	mid	7.37	-43.08	1	272.458	2.174	1	2	4	CSCC(C)(C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1
342084664	ZINC000621358280	mid	3.1	-35.36	1	293.411	1.417	3	4	9	CCOc1cncc(CNC[C@@H]2CCC[N@H+]2CCCO)c1
230740550	ZINC000425560661	ref	4.36	-14.27	0	323.359	2.133	2	2	6	CC[C@@H](CNC(=O)NC[C@@H]1CCN(C)C(=O)C1)CC(F)(F)F
365625515	ZINC000617392964	ref	6.49	-41.67	1	296.411	0.982	1	3	4	C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@](C)(C2CC2)C1
365625517	ZINC000617392964	mid	4.4	-8.44	0	296.411	0.982	0	4	4	C[C@H](CN1CCOCC1)C(=O)N1CCO[C@](C)(C2CC2)C1
168365396	ZINC000368506621	mid	12.36	-92.01	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21
365625520	ZINC000617392986	ref	4.34	-18.71	0	268.357	0.93	1	3	5	CNC(=O)CCCC(=O)N1CCO[C@](C)(C2CC2)C1
365625523	ZINC000617392987	ref	4.05	-18.83	0	268.357	0.93	1	3	5	CNC(=O)CCCC(=O)N1CCO[C@@](C)(C2CC2)C1
365625525	ZINC000617391775	ref	5.38	-6.9	0	280.368	0.882	0	3	3	CN(C)C(=O)C1(C(=O)N2CCO[C@@](C)(C3CC3)C2)CC1
365625527	ZINC000617392249	ref	4.68	-11.03	0	264.329	0.696	0	5	4	C[C@]1(C2CC2)CN(C(=O)CCn2ccnn2)CCO1
342084665	ZINC000621358280	high	1.27	-6.84	0	293.411	1.417	2	5	9	CCOc1cncc(CNC[C@@H]2CCCN2CCCO)c1
365625529	ZINC000617391912	ref	3.44	-7.86	0	269.341	0.819	0	4	3	CO[C@]1(C(=O)N2CCO[C@](C)(C3CC3)C2)CCOC1
365625532	ZINC000617392583	ref	3.02	-7.08	0	276.283	0.395	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C(=O)NCC(F)F)CCO1
342084666	ZINC000625348563	ref	1.43	-8.68	0	292.383	1.174	0	5	5	COc1cncc(CN2CCN(CC(C)C)C(=O)[C@H]2C)n1
342084667	ZINC000608932778	ref	5.01	-12.87	0	263.428	1.768	1	4	7	CSCCNC(=O)CSC[C@H]1CCCCO1
365625535	ZINC000617392719	ref	5.31	-47.32	1	293.411	0.404	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2C[N@H+]3CCCN2CC3)CCO1
365625537	ZINC000617392719	mid	5.13	-44.36	1	293.411	0.404	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2C[N@@H+]3CCCN2CC3)CCO1
168365760	ZINC000045072311	ref	4.64	-26.64	1	172.316	1.7	2	1	3	C[C@@H](N)[C@@H](C)[N@H+](C)CC(C)(C)C
342084668	ZINC000625348549	ref	3.65	-9.93	0	297.367	1.717	0	3	2	C[C@@H]1OCC[C@H]1S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084669	ZINC000625348445	ref	4.27	-9.58	0	299.383	1.964	0	3	5	COCC[C@H](C)S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
398247284	ZINC000097159483	high	1.66	-8.87	0	249.289	1.68	3	3	5	Cc1n[nH]cc1CNC[C@@H](O)c1ccccc1F
342084670	ZINC000608933747	ref	7.3	-16.12	0	279.34	1.677	1	5	6	COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccnn1CCC(C)C
342084671	ZINC000625348544	ref	3.43	-10.94	0	297.367	1.717	0	3	2	C[C@@H]1OCC[C@@H]1S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
398247286	ZINC000390748354	ref	3.84	-100.09	2	212.337	0.833	3	1	7	OCCCC[N@H+](C[C@@H]1CC[NH2+]C1)C1CC1
398247288	ZINC000390748354	mid	3.84	-99.54	2	212.337	0.833	3	1	7	OCCCC[N@@H+](C[C@@H]1CC[NH2+]C1)C1CC1
185091136	ZINC000096080632	ref	3.44	-11.7	0	262.313	0.018	0	5	4	COCCN1C[C@@H]2CN(c3cnccn3)C[C@@H]2C1=O
185091138	ZINC000096081266	ref	0.54	-14.2	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3CCO)[nH]n1
185091139	ZINC000096081266	mid	0.63	-14.35	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@@H]3[C@@H]2CC(=O)N3CCO)n[nH]1
282120911	ZINC000414141538	mid	5.92	-8.6	0	328.434	2.56	1	7	8	CCC(CC)(CN[C@@H](C)c1ncc(C(=O)OC)s1)C(=O)OC
282120914	ZINC000447890473	ref	2.63	-55.16	1	348.465	0.247	2	5	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC
282120917	ZINC000447890473	high	1.68	-17.9	0	348.465	0.247	2	6	8	CCC(CC)(CN[C@@H](C)C(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)OC
185091148	ZINC000096080733	ref	7.53	-49.29	1	288.372	2.436	1	3	3	O=C1[C@H]2C[N@H+](Cc3ccsc3)C[C@H]2CN1c1ccoc1
185091149	ZINC000096080733	mid	7.57	-48.94	1	288.372	2.436	1	3	3	O=C1[C@H]2C[N@@H+](Cc3ccsc3)C[C@H]2CN1c1ccoc1
342084672	ZINC000608933498	ref	4.12	-12.49	0	265.294	1.52	1	6	3	COC(=O)c1ccc(NC(=O)c2ccn(C)n2)s1
365625516	ZINC000336545045	mid	3.52	-3.45	0	253.415	2.23	0	4	3	CCc1cnc(CN2C[C@H](C)N(C)C[C@@H]2C)s1
365625518	ZINC000336545547	ref	7.14	-44.79	1	287.354	2.054	2	1	1	O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[N@@H+]2CCC[C@H]2C1
365625519	ZINC000336545547	mid	6.66	-45.96	1	287.354	2.054	2	1	1	O=C(N[C@@H]1CCCC(F)(F)C1)N1CC[N@H+]2CCC[C@H]2C1
349533578	ZINC000093254931	ref	1.75	-60.74	1	278.418	0.643	1	3	8	CC[C@@H](C)CN(CC)C(=O)[C@@H]([NH3+])CCS(C)(=O)=O
342088571	ZINC000600314987	ref	5.29	-14.6	0	271.292	1.524	1	5	8	COC(=O)CCCCC(=O)Nc1cnn(CCF)c1
168365397	ZINC000368507402	ref	8.42	-13.49	0	326.375	3.14	2	3	5	CCc1[nH]ccc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1
185091151	ZINC000096080733	high	5.14	-12.26	0	288.372	2.436	0	4	3	O=C1[C@H]2CN(Cc3ccsc3)C[C@H]2CN1c1ccoc1
185091152	ZINC000096080647	ref	5.85	-10.95	0	258.325	0.781	0	4	3	O=C1[C@H]2CN(c3cnccn3)C[C@H]2CN1CC1CC1
168365761	ZINC000045072311	mid	4.46	-26.89	1	172.316	1.7	2	1	3	C[C@@H](N)[C@@H](C)[N@@H+](C)CC(C)(C)C
259308881	ZINC000187713901	low	10.09	-91.0	2	235.375	2.955	1	1	4	CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1
185091154	ZINC000096080935	ref	8.79	-46.67	1	296.411	1.52	1	3	7	CCCCC[NH+]1C[C@H]2CN(C(=O)CCC(=O)OC)C[C@@H]2C1
342088572	ZINC000121364420	ref	8.75	-17.02	0	295.346	1.694	1	5	5	Cc1ccn(-c2ccccc2CNC(=O)Cn2ccnc2)n1
342084673	ZINC000032903882	ref	5.54	-11.05	0	254.286	1.306	1	4	4	CCc1[nH]c(C(=O)N(C)OC)c(C)c1C(=O)OC
342084674	ZINC000608935017	ref	7.31	-19.88	0	272.264	1.531	0	5	2	Cn1ccc(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)n1
342084675	ZINC000608936635	ref	8.44	-13.82	0	299.33	1.16	0	5	2	COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)c1ccn(C)n1
342084676	ZINC000032900027	ref	3.26	-10.17	0	284.381	1.256	0	3	4	C[C@H](c1ccccc1)N(C)S(=O)(=O)N1CCOCC1
178295179	ZINC000082790074	ref	5.99	-37.49	1	259.397	2.113	2	2	3	Nc1cccc2c1CN(CC[NH+]1CCCCC1)CC2
295666641	ZINC000412988448	ref	8.43	-9.36	0	306.312	2.995	0	4	1	CC1(C)CCC[C@@H](n2cnc3cc(F)c(F)cc3c2=O)C1=O
214178513	ZINC000278476811	ref	7.08	-13.65	0	316.43	2.604	0	5	3	Cc1cnc(C2CCN(C(=O)/C=C/c3ccnn3C)CC2)s1
342084677	ZINC000608935710	ref	6.59	-11.33	0	269.341	1.213	0	4	6	COCCN(C(=O)[C@H]1C[C@H]1C(=O)OC)C1CCCC1
214178518	ZINC000278476649	ref	5.77	-10.5	0	319.311	2.438	0	4	3	O=C(c1ccc(F)cn1)N1CCC(Oc2ncccc2F)CC1
342084678	ZINC000608936625	ref	5.85	-14.21	0	277.32	1.429	1	4	5	COC(=O)[C@H]1C[C@H]1C(=O)NCc1cc(C)ccc1OC
214178522	ZINC000278477394	ref	7.48	-11.24	0	308.447	2.901	0	4	5	CC[C@@H](SC)C(=O)N1CCC(Oc2ccncc2C)CC1
342084679	ZINC000608937340	ref	6.62	-14.88	0	267.247	1.596	0	3	5	CCCN(CC(F)(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)OC
214178526	ZINC000278477394	mid	7.93	-42.35	1	308.447	2.901	0	3	5	CC[C@@H](SC)C(=O)N1CCC(Oc2cc[nH+]cc2C)CC1
349533580	ZINC000093254931	mid	1.41	-19.17	0	278.418	0.643	1	4	8	CC[C@@H](C)CN(CC)C(=O)[C@@H](N)CCS(C)(=O)=O
342084680	ZINC000608934736	ref	8.83	-13.21	0	286.291	1.015	1	6	4	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccccc1-n1cncn1
342084681	ZINC000608934902	ref	7.61	-15.32	0	283.274	1.951	1	3	4	COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@@H](C)c1cc(F)ccc1F
342084682	ZINC000608939058	ref	8.39	-16.64	0	277.32	1.888	0	4	5	COC(=O)[C@H]1C[C@H]1C(=O)N(Cc1ccc(C)o1)C1CC1
342084683	ZINC000608936409	ref	6.09	-38.06	1	270.354	1.03	2	4	6	COC(=O)C[C@H](NC(=O)C[NH+](C)C)c1cccs1
365625521	ZINC000336545547	high	4.9	-10.07	0	287.354	2.054	1	2	1	O=C(N[C@@H]1CCCC(F)(F)C1)N1CCN2CCC[C@H]2C1
214178535	ZINC000278477295	ref	3.49	-25.51	0	315.167	1.576	2	3	5	CC(=O)C[C@H](C)NC(=O)Cc1cc[nH]c(=O)c1Br
342084684	ZINC000608936409	mid	3.71	-11.45	0	270.354	1.03	1	5	6	COC(=O)C[C@H](NC(=O)CN(C)C)c1cccs1
136228700	ZINC000283937954	ref	3.21	-10.23	0	217.268	1.168	2	2	3	CC#CC(=O)NC[C@@H](O)c1ccc(C)cc1
230235216	ZINC000336834379	mid	-4.02	-21.95	0	286.332	-1.467	4	5	4	CCNC(=O)NC(=O)[C@H](C)N1CCC[C@@](O)(C(N)=O)C1
178295177	ZINC000237060539	ref	4.02	-67.46	1	354.501	1.559	3	5	7	C[NH2+]CCNC(=O)[C@@H](C)SCc1nc(=O)c2c(C)c(C)sc2[nH]1
398247289	ZINC000356357950	ref	5.37	-33.6	1	227.348	1.959	1	2	6	CO[C@H](C[NH2+][C@H]1CCCC[C@@H]1OC)C1CC1
398247292	ZINC000356350517	ref	4.12	-8.57	0	240.347	2.043	2	2	5	CO[C@H](CNC(=O)NC1CCCCC1)C1CC1
398247298	ZINC000356358030	ref	3.82	-7.25	0	201.31	1.964	1	2	5	CCC[C@H](CNC(=O)C(C)(C)C)OC
398247303	ZINC000356382389	ref	4.13	-47.2	1	240.347	1.012	1	2	3	C[C@H]1C[NH2+][C@H](C)CN1C(=O)CC[C@@H]1CCOC1
178295180	ZINC000237067173	ref	4.73	-46.28	1	365.499	1.507	2	3	6	C[NH2+]C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)C1
185386281	ZINC000096747022	ref	7.43	-12.9	0	309.325	1.489	1	5	2	Cn1cc(C(=O)Nc2cccc3ccccc23)c(=O)n(C)c1=O
168365398	ZINC000368507402	mid	8.88	-34.91	1	326.375	3.14	2	2	5	CCc1[nH]ccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)c(F)c1
398247306	ZINC000356382389	high	2.89	-7.87	0	240.347	1.012	1	3	3	C[C@H]1CN[C@H](C)CN1C(=O)CC[C@@H]1CCOC1
168365399	ZINC000368503659	ref	8.3	-9.83	0	349.858	3.238	0	3	3	CO[C@@H]1CC[C@H]2OCCN(C(=O)[C@@H]3C[C@H]3c3ccc(Cl)cc3)[C@@H]2C1
398247309	ZINC000356345579	ref	6.34	-35.6	1	213.365	2.97	1	1	6	CCC[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)OC
398247313	ZINC000356345580	ref	6.34	-35.4	1	213.365	2.97	1	1	6	CCC[C@H](C[NH2+][C@H]1CCC[C@H](C)C1)OC
398247316	ZINC000181783548	ref	3.85	-14.42	0	244.291	-0.077	1	4	6	CCOC(=O)C[C@H](C)N(C)C(=O)CNC(C)=O
398247322	ZINC000387482798	ref	5.92	-38.07	1	226.364	1.927	2	1	6	C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC1CC1
214178515	ZINC000293495466	mid	0.95	-15.1	0	371.484	0.486	2	6	6	O=C1COc2ccc(CNCCS(=O)(=O)N3CCSCC3)cc2N1
178295183	ZINC000237058477	ref	2.72	-69.48	1	361.467	1.556	3	3	8	CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1
178295187	ZINC000237058477	high	2.27	-18.89	0	361.467	1.556	3	4	8	CCS(=O)(=O)NCc1ccc(C(=O)NC[C@H](N)c2ccccc2)cc1
214178519	ZINC000293503644	ref	6.14	-54.8	1	370.457	0.613	2	4	1	C[C@@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC[N@@H+](C2CCC2)C1
398247326	ZINC000356345581	ref	6.57	-35.84	1	213.365	2.97	1	1	6	CCC[C@H](C[NH2+][C@@H]1CCC[C@H](C)C1)OC
398247330	ZINC000356343152	ref	9.02	-40.51	1	245.366	3.079	1	1	7	CO[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)C1CC1
398247333	ZINC000181784977	ref	5.05	-7.3	0	242.363	2.243	1	2	4	CC[C@H](C)CN(C)C(=O)N[C@H]1CCCOCC1
168365762	ZINC000045072311	mid	3.24	-40.18	1	172.316	1.7	1	1	3	C[C@@H]([NH3+])[C@@H](C)N(C)CC(C)(C)C
214178523	ZINC000293503644	mid	5.83	-50.09	0	370.457	0.613	2	4	1	C[C@@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[nH]cc2-3)CC[N@H+](C2CCC2)C1
178295189	ZINC000237056927	ref	5.11	-20.76	0	358.442	1.437	2	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3COCCN3)ccc21
214178527	ZINC000293503644	mid	5.98	-49.91	0	370.457	0.613	1	4	1	C[C@@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC[N@@H+](C2CCC2)C1
214178531	ZINC000293503644	mid	3.77	-42.85	-1	370.457	0.613	1	4	1	C[C@@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CC[N@H+](C2CCC2)C1
178295191	ZINC000237056927	low	6.46	-48.82	1	358.442	1.437	2	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3COCC[NH2+]3)ccc21
178295193	ZINC000237063564	ref	4.91	-51.65	1	370.453	1.518	3	4	6	CC[NH2+]CC1CCN(C(=O)CNC(=O)c2cnc3ccccc3c2O)CC1
214178534	ZINC000293503644	high	3.77	-42.85	-1	370.457	0.613	0	5	1	C[C@@H]1CN(C(=O)C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)CCN(C2CCC2)C1
214178539	ZINC000293505749	ref	6.43	-15.08	0	356.375	0.436	0	8	9	COC(=O)CCN(CC(OC)OC)C(=O)c1ccc(C(=O)OC)n1C
214178545	ZINC000293490511	ref	2.36	-15.19	0	362.409	0.878	3	6	7	O=C(NCCCn1cc(CO)nn1)N[C@@H]1CCN(c2ccccc2F)C1
214178550	ZINC000293501853	ref	2.74	-14.77	0	364.383	0.897	2	8	5	COC(=O)c1ccc(NC(=O)C(=O)NCc2snnc2C)cc1OC
214178556	ZINC000293501899	ref	2.94	-13.92	0	354.428	0.918	3	6	8	CC[C@H](O)CNC(=O)C(=O)Nc1cccc(CSCC(=O)OC)c1
178295195	ZINC000237063564	mid	6.09	-57.93	1	370.453	1.518	3	3	6	CC[NH2+]CC1CCN(C(=O)CNC(=O)c2c[nH]c3ccccc3c2=O)CC1
297220841	ZINC000119032109	ref	7.32	-44.91	-1	278.308	2.561	0	4	2	C[C@H]1CCN(C(=O)c2ccc([O-])c([N+](=O)[O-])c2)[C@H](C)C1
178295197	ZINC000237063564	high	5.66	-71.74	0	370.453	1.518	2	3	6	CC[NH2+]CC1CCN(C(=O)CNC(=O)c2c[n-]c3ccccc3c2=O)CC1
178295199	ZINC000237060386	ref	5.11	-62.24	1	359.451	1.557	1	3	4	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1
178295201	ZINC000237060386	mid	3.83	-12.52	0	359.451	1.557	1	4	4	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1
185091156	ZINC000096081619	ref	1.81	-46.66	1	253.327	0.151	1	4	2	Cc1nc(CN2C(=O)CO[C@@H]3C[NH2+]C[C@H]32)cs1
178295204	ZINC000237058685	ref	7.57	-49.6	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1
168365764	ZINC000069606402	ref	1.19	-42.46	1	198.31	0.977	1	2	2	C[C@@H]([NH3+])[C@@H]1CCCCN1[C@@H]1CCOC1
365625522	ZINC000336545303	ref	3.29	-12.57	0	267.329	2.323	1	4	1	Cc1nc(NC(=O)N2CC(C)(C)OC[C@@H]2C)oc1C
365625524	ZINC000336544662	ref	5.3	-11.0	0	259.349	2.179	1	2	2	Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)N1CC(O)C1
342599658	ZINC000616994794	ref	6.27	-43.52	1	291.395	1.697	2	3	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)COc2cccnc2)C1
168365400	ZINC000368505434	ref	10.72	-17.21	0	334.383	3.092	2	4	4	Cc1n[n-]c(=[NH+]Cc2c[nH]nc2-c2cc3ccccc3o2)n1C1CC1
342599659	ZINC000616994794	mid	6.23	-42.93	1	291.395	1.697	2	3	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)COc2cccnc2)C1
365625526	ZINC000336545337	ref	4.99	-10.34	0	284.4	2.108	0	3	3	CCOC1(C)CCN(C(=O)N(C)C2CCOCC2)CC1
168365401	ZINC000368505434	mid	10.36	-48.72	-1	334.383	3.092	1	5	4	Cc1n[n-]c(=NCc2c[nH]nc2-c2cc3ccccc3o2)n1C1CC1
168365402	ZINC000368503000	ref	3.62	-8.48	0	344.411	3.143	3	4	5	Cc1cc(C)c2c(c1)[C@@H](NC(=O)N[C@H](CCO)c1ccco1)CCO2
168365404	ZINC000368505659	ref	3.85	-10.46	0	329.356	3.005	0	6	4	O=[N+]([O-])c1ccc(-c2nc(CN3CCC[C@]34CCOC4)co2)cc1
365625528	ZINC000336545178	ref	4.51	-12.38	0	251.395	2.338	0	2	2	Cc1ccc(CN2CC[S@@](=O)CC2(C)C)cc1
214178528	ZINC000337607863	mid	5.81	-6.13	0	272.458	2.174	0	3	4	CSCC(C)(C)C(=O)N1CCN(C)[C@@H](C(C)C)C1
197599342	ZINC000162914184	ref	5.08	-45.35	1	320.433	1.854	2	3	9	CCOCc1ccc(CNC(=O)C[NH2+][C@@H](C)[C@H]2CCOC2)cc1
365625530	ZINC000336545178	low	6.66	-46.7	1	251.395	2.338	1	1	2	Cc1ccc(C[N@@H+]2CC[S@@](=O)CC2(C)C)cc1
197599345	ZINC000162905537	ref	2.82	-17.18	0	303.215	2.183	1	4	3	CNC(=O)Cc1noc(-c2cccc(C(F)(F)F)c2F)n1
197599348	ZINC000162902350	ref	8.01	-48.2	-1	303.347	2.018	1	7	5	CCn1c(SCC(=O)[O-])nnc1-c1n[nH]c2ccccc12
365625531	ZINC000336545178	low	7.02	-39.35	1	251.395	2.338	1	1	2	Cc1ccc(C[N@H+]2CC[S@@](=O)CC2(C)C)cc1
168365766	ZINC000069606402	mid	2.69	-109.06	2	198.31	0.977	2	1	2	C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1
342599660	ZINC000590836260	ref	4.48	-11.25	0	291.326	1.923	2	3	5	CCC1(CNC(=O)NCc2ccc(C#N)cc2F)COC1
230740573	ZINC000450463220	ref	5.59	-15.69	0	318.373	1.395	1	4	7	CCCOc1ccc(C(=O)CNC(=O)[C@@H]2CCC(=O)N2C)cc1
365625533	ZINC000336545465	ref	3.8	-14.59	0	296.342	2.377	2	3	2	COc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@H](O)C2)cc1F
365625534	ZINC000336544629	ref	3.57	-15.83	0	259.309	2.176	2	4	3	Cc1cc(O)ccc1NC(=O)[C@@H](C)c1cnn(C)c1
398247290	ZINC000390748354	high	1.28	-40.19	1	212.337	0.833	2	2	7	OCCCCN(C[C@@H]1CC[NH2+]C1)C1CC1
168365403	ZINC000041053745	ref	4.54	-26.78	1	184.327	1.987	2	1	3	C[C@@H](N)[C@@H](C)[N@H+](C)C1CCCCC1
168365407	ZINC000041053745	mid	4.99	-27.57	1	184.327	1.987	2	1	3	C[C@@H](N)[C@@H](C)[N@@H+](C)C1CCCCC1
168365408	ZINC000041053745	low	4.67	-106.96	2	184.327	1.987	2	0	3	C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CCCCC1
185091158	ZINC000096081250	ref	3.65	-24.06	0	279.3	-0.733	1	5	4	COCCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1nc[nH]n1
342599661	ZINC000590835748	ref	6.14	-44.98	1	252.362	1.272	2	2	3	C[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)[NH+](C)C
342599662	ZINC000590835748	high	3.88	-14.72	0	252.362	1.272	1	3	3	C[C@@H](CNC(=O)N1CCC[C@](C)(C#N)C1)N(C)C
214178530	ZINC000337605934	ref	2.23	-12.56	0	257.33	0.459	1	4	6	C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(C)CCOCCO
342599663	ZINC000590836245	ref	5.24	-15.36	0	265.357	1.748	1	3	3	CCC1(CNC(=O)N2CCC[C@@](C)(C#N)C2)COC1
214178533	ZINC000337607366	ref	5.31	-10.14	0	293.436	2.086	1	4	5	CS[C@@H](C)CCC(=O)N1CCN[C@H](c2cccnc2)C1
214178537	ZINC000337607366	low	6.57	-50.96	1	293.436	2.086	1	3	5	CS[C@@H](C)CCC(=O)N1CC[NH2+][C@H](c2cccnc2)C1
342599664	ZINC000590835957	ref	5.04	-51.95	1	284.791	1.4	1	4	3	CC(C)[NH2+][C@H]1CCCN(c2cnn(C)c(=O)c2Cl)C1
168365411	ZINC000041053745	low	4.88	-107.28	2	184.327	1.987	2	0	3	C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CCCCC1
398247294	ZINC000036113194	ref	7.02	-8.71	0	219.328	2.879	1	1	5	CCC(=O)NCCc1ccc(C(C)C)cc1
168365415	ZINC000047845238	ref	-0.78	-44.09	1	151.213	0.429	2	2	2	C[C@@H]([NH3+])[C@@H](N)c1ccncc1
342599665	ZINC000616994629	ref	6.66	-81.43	2	267.417	1.175	3	1	3	C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1
349533581	ZINC000621228720	ref	4.1	-11.09	0	263.263	2.427	2	2	4	Cc1ncc(C(=O)NCC(C)(C)CC(F)(F)F)[nH]1
214178541	ZINC000337610093	ref	0.8	-11.65	0	254.286	0.177	2	5	6	Cc1cnc(C(=O)N(C)CCOCCO)c(O)c1
214178544	ZINC000337610093	mid	1.81	-54.98	-1	254.286	0.177	1	5	6	Cc1cnc(C(=O)N(C)CCOCCO)c([O-])c1
168365419	ZINC000047845238	low	-0.44	-126.17	2	151.213	0.429	2	1	2	C[C@@H]([NH3+])[C@@H]([NH3+])c1ccncc1
214178547	ZINC000337607386	ref	2.74	-22.19	0	266.313	0.851	1	3	5	NC(=O)CSCC(=O)N1CCCC[C@@H]1C(F)F
214178551	ZINC000337607704	ref	7.45	-37.49	1	299.459	2.032	2	2	9	CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1CCOC1
168365421	ZINC000001996237	ref	3.68	-33.97	1	175.684	2.291	1	1	2	C[C@@H]([NH3+])Cc1sccc1Cl
168365424	ZINC000022861357	ref	0.46	-40.62	1	125.175	0.299	2	1	2	C[C@@H]([NH3+])Cc1ncc[nH]1
168365426	ZINC000022861357	low	1.12	-101.39	2	125.175	0.299	2	0	2	C[C@@H]([NH3+])Cc1[nH]cc[nH+]1
168365428	ZINC000043102742	ref	2.27	-39.46	1	184.308	1.698	1	2	3	C[C@@H]([NH3+])[C@@H](c1cccs1)N(C)C
342599666	ZINC000616994629	mid	6.65	-80.28	2	267.417	1.175	3	1	3	C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](C(C)(C)C)C2)C1
365625536	ZINC000336544709	ref	6.2	-15.24	0	265.263	2.416	1	2	2	CC(C)n1ccc(=NC(=O)c2ccc(F)c(F)c2)[nH]1
168365405	ZINC000368505659	mid	6.07	-44.99	1	329.356	3.005	1	5	4	O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@]34CCOC4)co2)cc1
365625538	ZINC000336545240	ref	6.13	-51.37	1	252.402	2.4	1	1	3	CC1CCC(CC(=O)N2CCC(C[NH3+])CC2)CC1
365625540	ZINC000336544791	ref	7.19	-6.68	0	263.312	2.385	0	2	2	Cc1cc(F)ccc1C(=O)N1CCO[C@H](C2CC2)C1
342084685	ZINC000608935712	ref	6.66	-7.63	0	269.341	1.213	0	4	6	COCCN(C(=O)[C@@H]1C[C@H]1C(=O)OC)C1CCCC1
342084686	ZINC000608934895	ref	6.75	-9.5	0	283.274	1.951	1	3	4	COC(=O)[C@@H]1C[C@H]1C(=O)N[C@H](C)c1cc(F)ccc1F
168365406	ZINC000368505659	mid	6.29	-43.98	1	329.356	3.005	1	5	4	O=[N+]([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@]34CCOC4)co2)cc1
342084687	ZINC000608938382	ref	5.43	-12.77	0	283.305	1.282	1	6	4	COC(=O)c1ccsc1NC(=O)[C@@H]1C[C@@H]1C(=O)OC
365625542	ZINC000336544969	ref	3.75	-9.33	0	276.267	2.163	0	4	3	COCc1nc(C(=O)N2CCc3c(F)cccc32)co1
342084688	ZINC000608938917	ref	5.45	-11.51	0	277.255	1.598	1	5	3	COC(=O)c1cc(F)ccc1NC(=O)c1ccn(C)n1
365625543	ZINC000336545382	ref	3.7	-12.63	0	275.395	2.176	0	4	4	COc1ccsc1S(=O)(=O)N(C)[C@@H]1CC1(C)C
168365409	ZINC000368509219	ref	6.77	-9.52	0	345.468	3.397	0	6	5	CCc1nc2c(s1)[C@@H](N(C)Cc1ccc(C(=O)OC)cn1)CCC2
342084689	ZINC000608934851	ref	7.17	-13.55	0	254.293	1.564	0	4	3	CN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)n1
342084690	ZINC000608937962	ref	4.41	-11.0	0	292.335	1.294	1	5	6	COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cccnc1OC(C)C
168365410	ZINC000368509219	mid	9.23	-40.58	1	345.468	3.397	1	5	5	CCc1nc2c(s1)[C@@H]([N@H+](C)Cc1ccc(C(=O)OC)cn1)CCC2
168365412	ZINC000368509219	mid	8.9	-44.83	1	345.468	3.397	1	5	5	CCc1nc2c(s1)[C@@H]([N@@H+](C)Cc1ccc(C(=O)OC)cn1)CCC2
168365768	ZINC000069606402	mid	3.02	-116.45	2	198.31	0.977	2	1	2	C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1
342084691	ZINC000608936458	ref	6.17	-19.19	0	288.307	1.024	1	6	3	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C
342084692	ZINC000608935123	ref	5.64	-12.82	0	254.293	1.783	1	4	3	C[C@@H](NC(=O)c1ccn(C)n1)c1ccc(C#N)cc1
349533582	ZINC000093230822	ref	2.68	-48.38	1	270.26	0.526	2	4	6	COC(=O)c1ccc(F)c(NC(=O)COCC[NH3+])c1
342084693	ZINC000608934539	ref	3.97	-9.26	0	250.298	1.282	1	4	4	COC(=O)c1cccc(NC(=O)CN(C)C)c1C
365625545	ZINC000336544793	ref	4.28	-11.13	0	284.45	2.362	0	4	3	C[C@@H]1CN(Cc2nc(C3CC3)cs2)C[C@@H](C)S1=O
342599667	ZINC000616994629	mid	6.71	-80.72	2	267.417	1.175	3	1	3	C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1
342599668	ZINC000616994629	mid	6.65	-80.28	2	267.417	1.175	3	1	3	C[NH+]1CC[C@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)C1
168365414	ZINC000368504080	ref	6.43	-13.42	0	330.457	3.362	1	4	4	CC(C)(CNC(=O)N1CCC[C@H]1c1nccs1)c1ccncc1
168365416	ZINC000368509334	ref	4.0	-8.22	0	348.83	3.375	0	5	4	Clc1cccc(-c2nc(CN3CCOC[C@@H]3[C@H]3CCCO3)co2)c1
342599669	ZINC000590836110	ref	6.67	-22.7	0	289.383	1.686	1	4	3	C[C@@H](Cc1cnn(C)c1)NC(=O)N1CCC[C@](C)(C#N)C1
342599670	ZINC000590836244	ref	5.26	-14.69	0	265.357	1.748	1	3	3	CCC1(CNC(=O)N2CCC[C@](C)(C#N)C2)COC1
342599671	ZINC000590835354	ref	5.52	-18.43	0	280.378	1.92	1	5	1	N#CC1CN(C(=O)Nc2nc3c(s2)CSCC3)C1
342599672	ZINC000590840473	ref	4.91	-16.07	0	285.307	1.808	2	5	4	CCc1noc(NC(=O)N[C@@H](C)c2cccc(C#N)c2)n1
342599673	ZINC000590835704	ref	6.38	-11.2	0	253.321	1.926	1	2	3	CC(C)[C@@H]1C[C@H]1CNC(=O)N1CC[C@@](F)(C#N)C1
342599674	ZINC000590835906	ref	3.38	-12.07	0	263.272	1.684	2	3	1	C[C@@H]1[C@H](O)CCN1C(=O)Nc1ccc(C#N)c(F)c1
342599675	ZINC000590835727	ref	6.47	-45.81	1	286.379	1.795	3	2	4	C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)[NH+](C)C
222609312	ZINC000283762710	ref	3.69	-7.14	0	322.43	1.77	2	4	5	C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)NCc1sccc1C
197599374	ZINC000162899977	ref	4.63	-16.12	0	312.41	2.468	2	3	8	CCC(CC)(NC(=O)CCSc1ccccc1F)C(N)=O
197599377	ZINC000162907857	ref	7.23	-8.35	0	301.39	2.465	0	5	6	CCN(Cc1cnn(C)c1)[C@H](C(=O)OC)c1ccccc1C
342599676	ZINC000590835727	high	4.22	-9.77	0	286.379	1.795	2	3	4	C[C@@H](CNC(=O)N[C@H]1CCc2cc(C#N)ccc21)N(C)C
342599677	ZINC000590836336	ref	-0.94	-20.0	0	265.313	1.066	4	3	4	C[C@H](NC(=O)Nc1cccc(C(N)=O)c1)C(C)(C)O
342599678	ZINC000590835767	ref	5.49	-44.57	1	257.403	1.274	3	2	4	CSCCNC(=O)NC1C[C@@H]2CC[C@H](C1)[N@@H+]2C
342599679	ZINC000590835767	mid	5.8	-44.17	1	257.403	1.274	3	2	4	CSCCNC(=O)NC1C[C@@H]2CC[C@H](C1)[N@H+]2C
342599680	ZINC000616994630	ref	6.72	-80.89	2	267.417	1.175	3	1	3	C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1
168365417	ZINC000368503480	ref	3.85	-41.51	-1	340.807	3.225	0	3	3	CN1Cc2cccc([N-]S(=O)(=O)c3ccc(F)cc3Cl)c2C1
342599681	ZINC000616994630	mid	6.71	-81.52	2	267.417	1.175	3	1	3	C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1
342599682	ZINC000616994630	mid	6.72	-80.89	2	267.417	1.175	3	1	3	C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1
178295206	ZINC000237064364	ref	4.21	-61.62	1	361.49	1.497	2	4	4	CN1C(=O)CC[C@H](C(=O)NCC2([NH3+])CCCCCC2)[C@H]1c1cnn(C)c1
178295209	ZINC000237058510	ref	4.48	-51.59	1	359.348	1.662	2	3	6	C[NH2+]C[C@H](C)C(=O)N[C@H]1CCN(c2cccc(OC(F)(F)F)c2)C1=O
178295212	ZINC000237056650	ref	8.31	-51.21	-1	350.802	1.793	0	4	3	CN1C(=O)C[C@H](C(=O)N2CC[C@H](C(=O)[O-])C2)[C@@H]1c1cccc(Cl)c1
178295213	ZINC000237063402	ref	3.7	-52.51	1	367.515	1.577	2	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
178295225	ZINC000237063402	high	3.37	-14.28	0	367.515	1.577	2	4	7	CC[C@H](C)[C@@H](N)C(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1
178295229	ZINC000237055952	ref	5.53	-55.69	-1	361.192	1.485	1	5	8	CN(CC(=O)NCCCCC(=O)[O-])C(=O)c1ccc(Br)o1
178295233	ZINC000237066250	ref	5.13	-54.89	1	353.488	1.101	2	3	6	C[NH2+]CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C
178295236	ZINC000237057474	ref	5.08	-19.15	0	358.442	1.437	2	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3COCCN3)ccc21
178295238	ZINC000237057474	low	6.47	-48.75	1	358.442	1.437	2	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3COCC[NH2+]3)ccc21
178295241	ZINC000237064598	ref	7.63	-48.59	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC1
178295245	ZINC000237057526	ref	4.59	-50.07	1	358.442	1.171	3	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)ccc21
365625539	ZINC000617392719	high	3.46	-7.43	0	293.411	0.404	0	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CN3CCCN2CC3)CCO1
178295248	ZINC000237057526	high	3.2	-19.42	0	358.442	1.171	3	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@H](O)CN3)ccc21
342599683	ZINC000616994630	mid	6.73	-81.31	2	267.417	1.175	3	1	3	C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)C1
178295251	ZINC000237061625	ref	3.9	-53.19	1	370.519	1.851	2	4	10	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CCCCCC[NH3+]
365625541	ZINC000617393464	ref	4.2	-7.95	0	271.382	0.882	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@]2(O)CCSC2)CCO1
290623270	ZINC000492527785	ref	5.89	-9.36	0	274.364	2.165	1	3	3	Cc1ccncc1/C=C\C(=O)N1CCCC[C@@H]1[C@@H](C)O
178295256	ZINC000237068383	ref	4.0	-43.41	1	353.488	1.331	2	3	7	CN(CC(=O)N[C@@H](C[NH3+])C1CCCCC1)S(=O)(=O)c1ccccc1
398247295	ZINC000650867112	ref	2.79	-15.16	0	287.363	1.483	3	2	3	C[C@@H]1Cc2ccccc2[C@H]1NC(=O)N[C@@H]1C[C@H](C(N)=O)C1
166173013	ZINC000071310661	ref	1.79	-36.29	1	140.23	0.466	1	1	3	C=CCN(C)[C@@H]1CC[NH2+]C1
342599684	ZINC000590836105	ref	5.63	-50.04	1	284.791	1.72	2	4	5	CC[C@@H](CNc1cnn(C)c(=O)c1Cl)[NH+]1CCCC1
342599685	ZINC000590836105	high	2.98	-12.35	0	284.791	1.72	1	5	5	CC[C@@H](CNc1cnn(C)c(=O)c1Cl)N1CCCC1
342599686	ZINC000616994762	ref	5.24	-38.96	1	264.373	1.27	2	3	3	Cn1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1
214178538	ZINC000278476272	ref	8.81	-17.65	0	322.408	3.131	1	2	5	CC(=O)N(C)c1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1
214178543	ZINC000278476139	ref	6.62	-14.08	0	318.417	2.986	1	3	6	COCCCC(=O)Nc1ccc(C)c(C(=O)N2CCCCC2)c1
168365418	ZINC000368503480	mid	3.37	-8.88	0	340.807	3.225	1	3	3	CN1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2C1
342599687	ZINC000616994762	mid	5.18	-38.71	1	264.373	1.27	2	3	3	Cn1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1
168365420	ZINC000368503480	low	6.11	-43.74	1	340.807	3.225	2	2	3	C[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2C1
342599688	ZINC000616994793	ref	7.27	-83.1	2	269.433	1.565	3	1	6	CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
197599363	ZINC000290113567	ref	1.78	-10.3	0	261.281	1.549	3	3	3	O=C1COc2c(cccc2NC(=O)NCC2CC2)N1
168365422	ZINC000368503480	low	6.12	-44.05	1	340.807	3.225	2	2	3	C[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)cc3Cl)c2C1
342599689	ZINC000616994793	mid	7.27	-83.15	2	269.433	1.565	3	1	6	CCC[N@@H+](C)CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
214178546	ZINC000278478058	ref	9.48	-40.74	1	317.477	3.158	2	3	4	CC1=C[C@H](C)C[C@H](C[NH+]2CCC([C@@H](O)c3nccn3C)CC2)C1
342599690	ZINC000616994793	mid	7.27	-83.15	2	269.433	1.565	3	1	6	CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365625544	ZINC000617392582	ref	2.85	-7.29	0	276.283	0.395	1	3	3	C[C@]1(C2CC2)CN(C(=O)C(=O)NCC(F)F)CCO1
282120912	ZINC000512552780	ref	10.21	-44.3	1	292.467	3.003	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)C1
342599691	ZINC000616994793	mid	7.27	-83.3	2	269.433	1.565	3	1	6	CCC[NH+](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
168365769	ZINC000069606402	high	3.12	-28.16	1	198.31	0.977	2	2	2	C[C@@H](N)[C@@H]1CCCC[N@@H+]1[C@@H]1CCOC1
282120915	ZINC000130443698	ref	10.38	-40.93	1	329.488	3.293	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2c3ccccc3CCC2(C)C)C1
299072466	ZINC000354605716	low	1.39	-57.96	1	340.511	0.603	2	4	8	C[C@H]1CCC[C@@H](C)[N@@H+]1CCNS(=O)(=O)CCCS(C)(=O)=O
282120919	ZINC000362066423	ref	9.01	-41.63	1	287.407	2.136	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C1
342599692	ZINC000616994793	high	5.02	-36.97	1	269.433	1.565	2	2	6	CCCN(C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365625546	ZINC000617391048	ref	7.01	-18.22	0	293.367	0.964	0	5	5	Cn1ccnc1COCC(=O)N1CCO[C@](C)(C2CC2)C1
342084694	ZINC000608934539	mid	6.36	-43.34	1	250.298	1.282	2	3	4	COC(=O)c1cccc(NC(=O)C[NH+](C)C)c1C
342084695	ZINC000608935766	ref	5.38	-15.77	0	289.282	1.383	0	5	6	COC(=O)CCCN(C)C(=O)c1cnn(C)c1C(F)F
178295211	ZINC000082789848	ref	2.78	-54.31	1	282.192	2.362	1	2	4	C[C@H](C[NH3+])CS(=O)(=O)c1cc(Cl)ccc1Cl
168365423	ZINC000368501893	ref	7.62	-47.83	1	343.427	3.403	1	5	3	Cc1nc(C2CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)CC2)no1
168365425	ZINC000368501893	mid	5.26	-9.82	0	343.427	3.403	0	6	3	Cc1nc(C2CCN(Cc3ccc4c(c3)COC(C)(C)O4)CC2)no1
342084696	ZINC000608936717	ref	7.86	-15.17	0	274.28	1.6	0	5	4	CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1ccn(C)n1
342084697	ZINC000608936628	ref	5.79	-9.46	0	277.32	1.429	1	4	5	COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cc(C)ccc1OC
342084698	ZINC000608937963	ref	4.41	-10.35	0	292.335	1.294	1	5	6	COC(=O)[C@@H]1C[C@H]1C(=O)NCc1cccnc1OC(C)C
178295217	ZINC000082790248	ref	2.48	-56.57	1	292.198	1.818	1	2	4	C[C@H](C[NH3+])CS(=O)(=O)c1ccc(Br)cc1
178295218	ZINC000082789846	ref	2.78	-54.08	1	282.192	2.362	1	2	4	C[C@@H](C[NH3+])CS(=O)(=O)c1cc(Cl)ccc1Cl
342084699	ZINC000608935983	ref	7.3	-13.8	0	285.303	1.41	0	5	2	COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccn(C)n1
342084700	ZINC000608937514	ref	7.03	-15.91	0	291.351	1.366	0	5	2	COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccn(C)n1
342084701	ZINC000608936455	ref	5.43	-13.6	0	288.307	1.024	1	6	3	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C
342084702	ZINC000608937341	ref	6.77	-8.84	0	267.247	1.596	0	3	5	CCCN(CC(F)(F)F)C(=O)[C@H]1C[C@@H]1C(=O)OC
342084703	ZINC000608939970	ref	6.85	-11.62	0	263.293	1.467	0	4	4	COC(=O)[C@@H]1C[C@H]1C(=O)N(C)c1ccccc1OC
185091160	ZINC000096081272	ref	1.8	-15.79	0	275.308	-0.111	1	4	3	O=C1C[C@@H]2[C@@H](CCN2C(=O)c2ccncc2)N1CCO
432002780	ZINC000061976392	ref	6.48	-8.2	0	311.381	3.37	2	3	6	C[C@](O)(CNC(=O)c1ccc(Oc2ccccc2)cc1)C1CC1
432002785	ZINC000061873445	ref	6.86	-6.13	0	319.202	3.378	1	2	4	C[C@H](CNC(=O)c1ccc(Br)cn1)c1ccccc1
282120918	ZINC000491873087	ref	5.53	-43.86	1	263.345	0.135	2	4	4	Cc1nc2n(n1)C[C@H](NC(=O)/C=C\C[NH+](C)C)CC2
342084704	ZINC000608936781	ref	7.33	-13.43	0	299.33	1.679	1	5	5	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccc(Cn2cccn2)c1
342084705	ZINC000608939060	ref	7.97	-11.18	0	277.32	1.888	0	4	5	COC(=O)[C@H]1C[C@@H]1C(=O)N(Cc1ccc(C)o1)C1CC1
282120920	ZINC000192702887	ref	5.41	-39.76	1	258.362	1.032	1	3	7	CCC(CC)(C[NH2+][C@@H](C)C(=O)N(C)C)C(=O)OC
230740582	ZINC000450461957	ref	5.56	-11.91	0	320.389	1.545	2	4	6	COc1ccccc1C(=O)CNC(=O)[C@@H](NC(C)=O)C(C)(C)C
365625547	ZINC000336545379	ref	6.88	-8.62	0	274.364	2.004	0	3	3	CN(C)c1cccc(C(=O)N2CCO[C@H](C3CC3)C2)c1
166173016	ZINC000071310661	low	4.04	-103.0	2	140.23	0.466	2	0	3	C=CC[N@@H+](C)[C@@H]1CC[NH2+]C1
365625548	ZINC000336544863	ref	5.62	-54.11	1	282.384	2.365	1	3	3	Fc1cncc(C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)c1
199273214	ZINC000294963264	ref	4.11	-51.6	1	293.363	1.523	2	4	7	CC[C@H]([NH2+]CC1(CO)COC1)c1ccc(C(=O)OC)cc1
214178540	ZINC000053366072	mid	12.85	-51.89	1	327.432	2.368	1	5	5	Cc1ccc2c(c1)c(=O)n(C)c1nnc(C[N@H+](C)CCC(C)C)n21
230740591	ZINC000450461859	ref	1.94	-10.79	0	320.208	1.007	2	4	3	O=C(Cc1sccc1Br)N1C[C@H](O)C[C@@H]1CO
365625549	ZINC000336544863	high	4.43	-5.61	0	282.384	2.365	1	4	3	Fc1cncc(CN[C@@H]2CCO[C@]3(CCSC3)C2)c1
365625551	ZINC000336544663	ref	5.29	-11.46	0	259.349	2.179	1	2	2	Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)N1CC(O)C1
365625552	ZINC000336544617	ref	5.09	-8.53	0	279.336	2.139	0	4	3	COC1(C(=O)N2CCO[C@H](c3ccco3)C2)CCCC1
365625554	ZINC000336545468	ref	3.81	-14.46	0	296.342	2.377	2	3	2	COc1cc(C)c(NC(=O)N2CC[C@H](C)[C@@H](O)C2)cc1F
365625555	ZINC000336545187	ref	8.02	-45.55	1	273.38	2.288	1	3	2	C[C@@H]1[N@H+](Cc2cc(C#N)n(C)c2)CCC12CCOCC2
342599693	ZINC000616994793	high	5.02	-37.63	1	269.433	1.565	2	2	6	CCCN(C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365625557	ZINC000336545187	mid	8.3	-46.19	1	273.38	2.288	1	3	2	C[C@@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CCC12CCOCC2
365625558	ZINC000336545187	high	6.05	-6.97	0	273.38	2.288	0	4	2	C[C@@H]1N(Cc2cc(C#N)n(C)c2)CCC12CCOCC2
365625560	ZINC000336544848	ref	2.98	-8.77	0	289.422	2.292	1	4	4	Cc1ccc(S(=O)(=O)NC[C@@H]2CCC(C)(C)O2)s1
365625561	ZINC000336544741	ref	9.28	-11.93	0	291.301	2.136	0	3	3	O=C(CCn1ccnc1)N1CCc2c(F)cc(F)cc2C1
365625563	ZINC000336544741	low	9.8	-41.74	1	291.301	2.136	0	2	3	O=C(CCn1cc[nH+]c1)N1CCc2c(F)cc(F)cc2C1
365625565	ZINC000336545395	ref	7.88	-9.98	0	274.364	2.349	0	2	3	CN(Cc1ccccc1)C(=O)N1CCO[C@@H](C2CC2)C1
365625567	ZINC000336545432	ref	5.78	-9.13	0	257.284	2.211	1	3	3	CCn1ccnc1C(=O)N[C@H]1CCCC(F)(F)C1
282120922	ZINC000192702887	high	4.43	-8.96	0	258.362	1.032	1	4	7	CCC(CC)(CN[C@@H](C)C(=O)N(C)C)C(=O)OC
365625569	ZINC000336544600	ref	0.69	-8.94	0	266.345	2.411	2	4	3	C[C@H](NC(N)=O)c1noc(C2(C)CCCCCC2)n1
365625550	ZINC000617391277	ref	0.72	-8.98	0	255.318	0.071	2	3	3	C[C@H](NC(N)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
398247296	ZINC000076777151	ref	6.62	-29.78	1	222.332	2.329	1	2	7	CCOCC[N@H+](Cc1ccccn1)C(C)C
398247300	ZINC000076777151	mid	6.83	-32.68	1	222.332	2.329	1	2	7	CCOCC[N@@H+](Cc1ccccn1)C(C)C
398247302	ZINC000076777151	high	4.53	-4.63	0	222.332	2.329	0	3	7	CCOCCN(Cc1ccccn1)C(C)C
365625553	ZINC000617391541	ref	1.82	-42.43	-1	298.368	0.63	1	5	4	C[C@@]1(C2CC2)CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1
365625556	ZINC000617391541	low	3.01	-11.37	0	298.368	0.63	2	5	4	C[C@@]1(C2CC2)CN(C(=O)CSc2n[nH]c(=O)[nH]2)CCO1
365625559	ZINC000617393771	ref	3.64	-7.07	0	282.384	0.735	0	4	3	CCN1CCOC[C@@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
190492533	ZINC000269411428	ref	5.39	-9.67	0	297.362	1.923	1	4	2	CN1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1
365625562	ZINC000617392966	ref	6.2	-42.21	1	296.411	0.982	1	3	4	C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@](C)(C2CC2)C1
282120921	ZINC000491873087	high	3.04	-14.45	0	263.345	0.135	1	5	4	Cc1nc2n(n1)C[C@H](NC(=O)/C=C\CN(C)C)CC2
342599694	ZINC000590840431	ref	2.87	-6.65	0	295.427	1.506	1	3	5	C[C@H]1CCC[C@@H](C)N1C(=O)CN(CC(N)=O)C1CCCC1
342599695	ZINC000590840431	mid	5.05	-30.32	1	295.427	1.506	2	2	5	C[C@H]1CCC[C@@H](C)N1C(=O)C[N@H+](CC(N)=O)C1CCCC1
290009821	ZINC000458862128	ref	1.77	-7.03	0	286.416	2.186	3	3	8	CCOC1(CNC(=O)N[C@@](C)(CC)CCO)CCCC1
349533583	ZINC000621228720	low	4.57	-38.08	1	263.263	2.427	2	1	4	Cc1[nH]c(C(=O)NCC(C)(C)CC(F)(F)F)c[nH+]1
398247305	ZINC000390752508	ref	1.57	-37.55	1	214.309	0.526	2	2	4	COCC(C)(C)NC(=O)[C@H]1[NH2+]CC1(C)C
214178542	ZINC000053364823	ref	6.86	-14.6	0	348.418	2.851	2	3	4	CC(=O)N[C@H](C(=O)N[C@H]1CCCOc2ccc(F)cc21)C1CCCC1
365625564	ZINC000617392966	mid	3.98	-8.52	0	296.411	0.982	0	4	4	C[C@@H](CN1CCOCC1)C(=O)N1CCO[C@@](C)(C2CC2)C1
214178548	ZINC000053371762	ref	7.82	-49.46	1	331.416	1.935	2	4	6	COc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C(C)C)CC1
398247308	ZINC000390752508	high	0.04	-8.88	0	214.309	0.526	2	3	4	COCC(C)(C)NC(=O)[C@H]1NCC1(C)C
398247311	ZINC000285165018	ref	4.69	-10.2	0	240.263	1.482	2	4	5	CC[C@@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C
214178559	ZINC000053357389	ref	7.17	-20.94	0	340.427	2.485	1	3	2	CC(=O)N1CCC(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CC1
398247314	ZINC000390756815	ref	6.51	-105.49	2	228.405	1.669	2	1	3	CC(C)[C@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1
398247317	ZINC000390756815	mid	7.04	-105.58	2	228.405	1.669	2	1	3	CC(C)[C@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1
214178549	ZINC000278477296	ref	-0.72	-12.8	0	323.393	1.211	3	5	8	O=C(NCCCCO)NCc1ccnc(OC2CCOCC2)c1
365625566	ZINC000617393624	ref	3.72	-16.4	0	289.335	0.822	1	4	3	C[C@@]1(C2CC2)CN(C(=O)c2cccnc2C(N)=O)CCO1
365625568	ZINC000617390735	ref	6.28	-40.61	1	252.358	0.966	1	2	2	C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
342084706	ZINC000608936636	ref	8.59	-16.11	0	299.33	1.16	0	5	2	COC(=O)[C@H]1Cc2ccccc2CN1C(=O)c1ccn(C)n1
197599387	ZINC000290111472	ref	2.19	-8.86	0	276.336	0.751	3	3	5	CNC(=O)C1(C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)CC1
187169782	ZINC000125109614	ref	6.08	-9.85	0	291.269	1.907	0	3	5	O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCCOCC(F)(F)F
214178553	ZINC000278476571	ref	7.31	-9.72	0	305.443	3.401	1	3	3	CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCSc2ccccc21
214178557	ZINC000278476115	ref	5.12	-59.08	1	303.374	2.047	2	3	7	O[C@@H](C[NH2+]C[C@H]1CCSC1)COc1ccc(F)c(F)c1
214178560	ZINC000278477705	ref	9.17	-15.05	0	316.445	3.121	2	2	7	CCc1ccc([C@@H](C)NC(=O)[C@@H](CC2CCC2)NC(C)=O)cc1
214178562	ZINC000278476866	ref	3.0	-7.53	0	318.295	2.178	1	4	4	C[C@H]1COCC[C@@H]1NC(=O)c1cccc(OCC(F)(F)F)n1
214178564	ZINC000278477242	ref	4.09	-5.95	0	302.216	2.041	0	4	4	CN(Cc1c(Br)cnn1C)C[C@H]1CCCOC1
214178567	ZINC000278477242	mid	6.05	-43.3	1	302.216	2.041	1	3	4	Cn1ncc(Br)c1C[N@H+](C)C[C@H]1CCCOC1
214178568	ZINC000278477242	mid	6.01	-43.01	1	302.216	2.041	1	3	4	Cn1ncc(Br)c1C[N@@H+](C)C[C@H]1CCCOC1
342084707	ZINC000608936626	ref	5.82	-15.45	0	277.32	1.429	1	4	5	COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cc(C)ccc1OC
342084708	ZINC000608936002	ref	5.48	-15.31	0	293.348	1.516	1	6	5	COC(=O)C[C@@H](NC(=O)c1ccn(C)n1)c1cccs1
214178579	ZINC000278477026	ref	6.56	-8.48	0	324.427	3.195	0	7	7	CCSc1cc(C(=O)O[C@H](COC)c2nccs2)ccn1
214178582	ZINC000278477997	ref	8.45	-12.15	0	303.406	2.747	1	4	4	CC1(C)CCc2nc(NC(=O)CC[C@H]3CCOC3)ncc2C1
214178585	ZINC000278477687	ref	7.63	-12.21	0	315.417	2.92	1	4	6	COC(C)(C)CC(=O)NCc1c(C)nn(-c2ccccc2)c1C
342084709	ZINC000608936077	ref	5.91	-11.35	0	265.313	1.026	1	5	3	COC(=O)C1(NC(=O)c2ccn(C)n2)CCCCC1
342084710	ZINC000608939556	ref	9.03	-43.04	1	278.352	1.778	0	4	6	CCOC(=O)c1cccc(N(CC)C(=O)CN(C)C)c1
342084711	ZINC000608939556	mid	9.03	-43.04	1	278.352	1.778	1	3	6	CCOC(=O)c1cccc(N(CC)C(=O)C[NH+](C)C)c1
342084712	ZINC000608939972	ref	6.87	-18.28	0	263.293	1.467	0	4	4	COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)c1ccccc1OC
230740593	ZINC000425557200	ref	3.28	-9.85	0	322.365	2.068	1	8	7	COC(=O)c1conc1C(C)(C)NCc1nc(CC(C)C)no1
365625570	ZINC000617390735	mid	6.29	-41.35	1	252.358	0.966	1	2	2	C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
365625572	ZINC000617390898	ref	7.93	-14.18	0	290.367	0.868	0	5	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CCc3nncn3C2)CCO1
365625574	ZINC000617390828	ref	2.46	-10.43	0	254.33	0.525	1	3	4	C[C@@H](CC(N)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
230740605	ZINC000425558480	ref	5.69	-15.21	0	300.362	2.401	1	5	3	COc1ccn2c(C(=O)N[C@](C)(C#N)C(C)(C)C)cnc2c1
365625577	ZINC000617393473	ref	5.13	-17.31	0	284.356	0.119	0	4	5	COCC(=O)N(C)CC(=O)N1CCO[C@@](C)(C2CC2)C1
187167095	ZINC000125046973	ref	6.58	-5.44	0	288.391	2.876	2	2	3	Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[C@@H](C)C2)c1
306234540	ZINC000557842098	mid	0.87	-19.82	0	347.792	1.33	1	4	5	C[C@@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)S(C)(=O)=O
290623271	ZINC000492527813	ref	6.07	-12.48	0	290.319	2.151	1	4	6	O=C(/C=C\c1ccccc1[N+](=O)[O-])NCC[C@@H]1CCOC1
185091166	ZINC000096081147	ref	4.81	-13.82	0	281.315	1.338	1	3	1	O=C1C[C@@H]2[C@@H](CCN2C(=O)c2ccc3ccccc3n2)N1
282120923	ZINC000341636599	ref	6.47	-10.5	0	333.436	1.055	1	5	1	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)N1C[C@H](C)CCC[C@@H]1C)CC2
282120926	ZINC000269295163	ref	4.7	-15.02	0	342.334	0.667	2	6	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccc(C#N)cc1F)CC2
342599696	ZINC000590840431	mid	5.04	-30.12	1	295.427	1.506	2	2	5	C[C@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](CC(N)=O)C1CCCC1
342599697	ZINC000590840433	ref	3.35	-6.74	0	295.427	1.506	1	3	5	C[C@H]1CCC[C@H](C)N1C(=O)CN(CC(N)=O)C1CCCC1
282120930	ZINC000135763097	ref	5.99	-17.5	0	324.34	0.798	1	6	1	Cc1nc2n(n1)C[C@H](NC(=O)C#Cc1ccc3c(c1)OCO3)CC2
282123581	ZINC000533473805	ref	5.82	-12.52	0	277.364	1.823	1	3	5	C[C@@H](O)[C@@H]1CCCN(C(=O)COCc2ccccc2)C1
306234541	ZINC000557850267	ref	2.12	-11.57	0	338.454	1.848	1	5	4	Cc1ccc(S(=O)(=O)N2C[C@@H](CO)[C@H](c3ccsc3)C2)cn1
307041610	ZINC000364127130	mid	7.6	-87.53	2	300.443	1.569	2	3	7	CCOC(C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)OCC
290623274	ZINC000492526633	ref	5.48	-11.41	0	250.367	2.273	1	3	6	CSCCCNC(=O)/C=C\c1cnccc1C
365625580	ZINC000617393802	ref	3.44	-46.02	-1	296.396	0.572	0	5	3	CN=c1[n-]nc(CC(=O)N2CCO[C@@](C)(C3CC3)C2)s1
349533584	ZINC000621226958	ref	5.94	-10.4	0	263.263	2.128	1	3	4	Cn1cnc(C(=O)NCC(C)(C)CC(F)(F)F)c1
398249357	ZINC000069839030	ref	6.29	-50.05	1	228.38	2.543	1	1	9	CCCCN(CCCC)C(=O)CC[C@H](C)[NH3+]
293080233	ZINC000561340822	ref	3.99	-17.78	0	263.366	1.466	0	4	1	Cc1cc(N2CC[S@@](=O)C[C@H](C)C2)cc(C#N)n1
349533585	ZINC000093256314	ref	7.68	-60.63	-1	263.301	0.651	0	4	4	CCOCCN(C)C(=O)/N=c1\[n-]nc2ccccn12
214178558	ZINC000337608818	ref	3.12	-12.97	0	284.36	0.504	1	6	7	CCN(CCOCCO)C(=O)c1cn(C(C)(C)C)nn1
365625571	ZINC000336544665	ref	7.51	-11.35	0	288.37	2.426	0	4	3	Cc1nnc(CN2CC[C@@](C)(c3ccc(F)cc3)C2)n1C
365625573	ZINC000336544665	mid	10.24	-49.92	1	288.37	2.426	1	3	3	Cc1nnc(C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)n1C
214178566	ZINC000337606290	ref	-0.07	-16.21	0	299.371	-0.036	3	4	5	C[C@H](O)C[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@H](C(N)=O)O1
214178570	ZINC000337608625	ref	2.44	-13.02	0	271.317	-0.139	2	4	6	COC(=O)CCCNC(=O)NCC(=O)N1CCCC1
214178576	ZINC000337610430	ref	5.83	-13.23	0	278.352	2.168	1	4	7	CCc1cccnc1NC(=O)CCOC[C@H]1CCCO1
214178578	ZINC000337609131	ref	4.58	-20.0	0	295.335	0.944	1	5	8	CCN(CCOCCO)C(=O)c1cccc(C(=O)OC)c1
214178583	ZINC000337610284	ref	5.4	-12.69	0	254.311	0.775	0	4	4	CCN1CN(C(=O)COc2ccsc2)CC1=O
214178590	ZINC000337606391	ref	3.43	-13.11	0	251.273	0.745	1	3	7	CCN(CCOCCO)C(=O)[C@@H]1[C@@H](C)C1(F)F
349533587	ZINC000093231030	ref	3.17	-47.15	1	286.353	0.444	2	5	8	COC(=O)C[C@H](NC(=O)COCC[NH3+])c1cccs1
342084713	ZINC000608939971	ref	6.84	-12.29	0	263.293	1.467	0	4	4	COC(=O)[C@H]1C[C@@H]1C(=O)N(C)c1ccccc1OC
214178595	ZINC000337609631	ref	5.54	-8.89	0	253.264	2.449	1	2	6	CC(=O)CCC(=O)N[C@H](CC(F)(F)F)C(C)C
168365427	ZINC000368507062	ref	5.33	-12.17	0	340.423	3.22	0	5	4	Cc1oc(-c2ccccc2)nc1CN1CCOC[C@@H]1[C@H]1CCCC1=O
168365429	ZINC000368504414	ref	2.83	-42.01	-1	328.846	3.148	0	4	3	CN1Cc2cccc([N-]S(=O)(=O)c3ccc(Cl)s3)c2C1
214178597	ZINC000337608605	ref	8.05	-8.16	0	277.364	2.072	0	3	8	COC[C@H](Cc1ccccc1)N(C)C(=O)CCC(C)=O
342084714	ZINC000608937338	ref	6.8	-10.68	0	267.247	1.596	0	3	5	CCCN(CC(F)(F)F)C(=O)[C@@H]1C[C@H]1C(=O)OC
342084715	ZINC000608939586	ref	6.03	-12.21	0	289.282	1.383	0	5	6	CCOC(=O)CN(CC)C(=O)c1cnn(C)c1C(F)F
342084716	ZINC000608934904	ref	6.79	-9.35	0	283.274	1.951	1	3	4	COC(=O)[C@@H]1C[C@H]1C(=O)N[C@@H](C)c1cc(F)ccc1F
342084717	ZINC000608937785	ref	6.92	-14.53	0	289.335	1.429	1	5	4	COC(=O)[C@H]1C[C@H]1C(=O)Nc1cccnc1N1CCCC1
342084718	ZINC000608937786	ref	6.25	-9.17	0	289.335	1.429	1	5	4	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cccnc1N1CCCC1
168365430	ZINC000368504414	low	2.81	-7.51	0	328.846	3.148	1	4	3	CN1Cc2cccc(NS(=O)(=O)c3ccc(Cl)s3)c2C1
214178561	ZINC000293502988	ref	1.07	-17.25	0	361.398	0.512	3	5	7	O=C(NCCCN1C(=O)c2ccccc2C1=O)NC[C@H]1CC[C@@H](CO)O1
342084719	ZINC000608934798	ref	6.56	-16.04	0	287.319	1.454	1	5	5	COC(=O)C[C@@H](NC(=O)c1ccn(C)n1)c1ccccc1
342084720	ZINC000608936001	ref	5.48	-15.32	0	293.348	1.516	1	6	5	COC(=O)C[C@H](NC(=O)c1ccn(C)n1)c1cccs1
214178565	ZINC000293489645	ref	4.44	-8.72	0	362.43	0.881	1	6	4	CCOC1CN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)C1
342084721	ZINC000608936627	ref	5.79	-9.84	0	277.32	1.429	1	4	5	COC(=O)[C@H]1C[C@@H]1C(=O)NCc1cc(C)ccc1OC
342084722	ZINC000608936408	ref	6.09	-38.02	1	270.354	1.03	2	4	6	COC(=O)C[C@@H](NC(=O)C[NH+](C)C)c1cccs1
178295237	ZINC000082790080	ref	4.56	-40.81	1	275.396	1.349	2	3	4	Nc1cccc2c1C[N@H+](CCCN1CCOCC1)CC2
365625575	ZINC000336544665	mid	9.97	-51.67	1	288.37	2.426	1	3	3	Cc1nnc(C[N@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)n1C
168365432	ZINC000368509062	ref	6.24	-7.98	0	331.456	3.194	0	4	4	CC(=O)c1c(C)cc(C)c(CN2CCOC[C@@H]2[C@H]2CCCO2)c1C
365625576	ZINC000336545185	ref	8.19	-45.42	1	273.38	2.288	1	3	2	C[C@H]1[N@H+](Cc2cc(C#N)n(C)c2)CCC12CCOCC2
214178571	ZINC000293488785	ref	9.13	-20.62	0	359.382	0.844	0	7	8	COC(=O)COc1ccc(CN(C)C(=O)CCn2cnccc2=O)cc1
178295239	ZINC000082790080	mid	4.55	-40.91	1	275.396	1.349	2	3	4	Nc1cccc2c1C[N@@H+](CCCN1CCOCC1)CC2
168365434	ZINC000368509062	low	8.6	-38.21	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1C
365625578	ZINC000336545185	mid	8.01	-46.06	1	273.38	2.288	1	3	2	C[C@H]1[N@@H+](Cc2cc(C#N)n(C)c2)CCC12CCOCC2
178295240	ZINC000082790080	high	1.96	-4.96	0	275.396	1.349	1	4	4	Nc1cccc2c1CN(CCCN1CCOCC1)CC2
342084723	ZINC000608936408	mid	3.71	-11.38	0	270.354	1.03	1	5	6	COC(=O)C[C@@H](NC(=O)CN(C)C)c1cccs1
214178575	ZINC000293495881	ref	3.49	-11.42	0	366.37	0.676	1	7	6	CCOC1CN(C(=O)C(=O)Nc2cc(C(=O)OC)cc(OC)c2OC)C1
168365435	ZINC000368509062	low	8.27	-41.47	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@H+]2CCOC[C@@H]2[C@H]2CCCO2)c1C
342084724	ZINC000608934903	ref	6.8	-15.5	0	283.274	1.951	1	3	4	COC(=O)[C@@H]1C[C@@H]1C(=O)N[C@H](C)c1cc(F)ccc1F
282120924	ZINC000358530289	ref	7.94	-44.06	1	323.868	2.353	1	2	5	CN(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)c1cccc(Cl)c1
178295243	ZINC000333094983	ref	4.17	-13.45	0	244.294	2.451	2	2	2	Cc1cc2cc[nH]c2cc1NC(=O)C1(C)COC1
398247297	ZINC000650866567	ref	4.22	-9.25	0	254.374	1.842	2	2	3	CC[C@@H]1C[C@H](C(=O)N[C@H](C)C(C)(C)C)CC(=O)N1
398247299	ZINC000650867908	ref	6.34	-15.98	0	269.304	1.111	1	4	3	O=C(NCc1cc(=O)n2ccccc2n1)[C@H]1CC12CC2
178295260	ZINC000268719999	ref	4.23	-37.03	1	233.311	2.693	2	2	4	Cc1cc2cc([C@@H](C)[NH2+]CCO)oc2cc1C
136228701	ZINC000283935240	ref	6.66	-8.58	0	213.28	1.901	1	1	3	CC#CC(=O)NC1(Cc2ccccc2)CC1
214725055	ZINC000062632058	ref	4.86	-14.97	0	336.438	2.069	0	5	3	CN(C(=O)c1csc(-c2ccccc2)n1)[C@H]1CCS(=O)(=O)C1
178295267	ZINC000268719999	high	2.97	-8.58	0	233.311	2.693	2	3	4	Cc1cc2cc([C@@H](C)NCCO)oc2cc1C
398247301	ZINC000650868622	ref	1.67	-17.02	0	274.386	1.053	2	3	5	CS(=O)(=O)CCCNC(=O)NC1CC2(CCC2)C1
398247304	ZINC000650867694	ref	7.22	-16.04	0	285.347	1.891	1	4	6	O=C(CCCC1CC1)NCc1cc(=O)n2ccccc2n1
398247307	ZINC000650864936	ref	3.9	-37.72	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC
365625579	ZINC000336545185	high	5.86	-6.2	0	273.38	2.288	0	4	2	C[C@H]1N(Cc2cc(C#N)n(C)c2)CCC12CCOCC2
178295282	ZINC000121808075	ref	6.18	-12.24	0	228.295	3.215	2	1	2	Cc1cc2cc(NC(=O)C3(C)CC3)ccc2[nH]1
178295284	ZINC000019721624	ref	6.38	-5.04	0	212.079	3.85	0	1	0	Cc1cc2cc(Cl)ccc2nc1Cl
178295287	ZINC000121809231	ref	6.7	-12.46	0	240.306	3.525	2	1	2	Cc1cc2cc(NC(=O)C3=CCCC3)ccc2[nH]1
398247310	ZINC000650864936	mid	4.55	-37.11	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@H](CO)NC(=O)NC[C@@H]1CCCC[N@H+]1CC
178295294	ZINC000032099228	ref	5.0	-7.08	0	237.1	2.888	1	2	0	Cc1cc2ccc(Br)cc2nc1N
168365431	ZINC000043102742	low	4.07	-107.11	2	184.308	1.698	2	1	3	C[C@@H]([NH3+])[C@@H](c1cccs1)[NH+](C)C
168365433	ZINC000307455655	ref	1.81	-50.15	1	196.254	-0.114	2	3	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cncn1C
178295298	ZINC000108274469	ref	6.26	-4.47	0	211.058	3.504	0	1	0	Cc1cc2ccc(Br)cc2o1
178295302	ZINC000019126619	ref	4.25	-50.82	1	242.322	2.722	1	2	0	Cc1cc2cc3c(nc2cc1C)O[C@@H](C)C[NH2+]C3
178295306	ZINC000019126619	high	2.94	-9.12	0	242.322	2.722	1	3	0	Cc1cc2cc3c(nc2cc1C)O[C@@H](C)CNC3
168365436	ZINC000054161548	ref	-1.29	-39.16	1	127.147	-0.041	1	3	2	C[C@@H]([NH3+])Cc1ncon1
178295309	ZINC000333009216	ref	5.54	-14.43	0	244.294	2.594	2	2	2	Cc1cc2cc[nH]c2cc1NC(=O)[C@H]1CCCO1
178295312	ZINC000336376114	ref	6.04	-12.77	0	243.31	2.96	2	1	1	Cc1cc2cc[nH]c2cc1NC(=O)N1CC(C)C1
343994603	ZINC000599272483	mid	5.63	-39.95	1	255.314	1.587	2	4	7	CCOC(=O)C[C@H](O)C[N@@H+](C)[C@H](C)c1ccco1
343994604	ZINC000599272483	mid	3.26	-9.68	0	255.314	1.587	1	5	7	CCOC(=O)C[C@H](O)CN(C)[C@H](C)c1ccco1
342084725	ZINC000608940123	ref	6.98	-11.62	0	267.329	1.081	0	5	6	COC(=O)CCN(CC(C)C)C(=O)c1ccn(C)n1
197599401	ZINC000162910986	ref	9.97	-48.48	-1	302.359	2.403	0	7	6	CCCn1c(SCC(=O)[O-])nnc1-c1ccc(C#N)cc1
365625581	ZINC000336544698	ref	6.98	-10.12	0	274.343	2.118	0	4	3	Cn1ncnc1CN1CC[C@](C)(c2ccc(F)cc2)C1
214178563	ZINC000053369962	ref	7.47	-12.1	0	331.391	3.421	1	4	2	CC(C)(C)n1cc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)cn1
214178569	ZINC000053356605	ref	9.75	-20.18	0	340.427	1.886	0	4	4	CC(=O)N1CCCN(C(=O)CCc2cnn(-c3ccccc3)c2)CC1
342084726	ZINC000048335102	ref	7.34	-44.95	1	263.316	1.607	0	3	5	CCN(CC(=O)N(C)C)Cc1cc(C#N)ccc1F
342084727	ZINC000048335102	low	7.59	-44.28	1	263.316	1.607	1	2	5	CC[N@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1F
214178573	ZINC000053364525	ref	10.94	-11.65	0	327.432	2.542	0	6	6	CCn1c(=O)c2ccccc2n2c(CN(C)CCC(C)C)nnc12
342084728	ZINC000048335102	low	7.34	-44.95	1	263.316	1.607	1	2	5	CC[N@@H+](CC(=O)N(C)C)Cc1cc(C#N)ccc1F
342084729	ZINC000608938383	ref	5.54	-8.91	0	283.305	1.282	1	6	4	COC(=O)c1ccsc1NC(=O)[C@H]1C[C@@H]1C(=O)OC
178295252	ZINC000082790261	ref	2.43	-50.86	1	292.198	1.96	1	2	4	CC[C@H](C[NH3+])S(=O)(=O)c1ccc(Br)cc1
214178577	ZINC000053364525	mid	13.09	-51.76	1	327.432	2.542	1	5	6	CCn1c(=O)c2ccccc2n2c(C[N@H+](C)CCC(C)C)nnc12
214190535	ZINC000337633993	ref	3.23	-19.74	0	288.254	0.397	2	4	4	COC(=O)Cn1ccc(=NC(=O)NC2(C(F)F)CC2)[nH]1
342084730	ZINC000608938922	ref	5.92	-15.04	0	274.28	1.819	1	5	4	C[C@H](NC(=O)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1
342084731	ZINC000068742413	ref	4.79	-7.22	0	276.38	1.453	2	2	4	O=C(CNC(=O)C1C2CC3CC(C2)CC1C3)NC1CC1
342084732	ZINC000608937961	ref	4.43	-16.21	0	292.335	1.294	1	5	6	COC(=O)[C@@H]1C[C@@H]1C(=O)NCc1cccnc1OC(C)C
342084733	ZINC000608939345	ref	5.14	-17.64	0	290.279	1.267	1	6	5	COc1ccc(CNC(=O)c2ccn(C)n2)cc1[N+](=O)[O-]
342084734	ZINC000608938690	ref	8.21	-15.76	0	287.319	1.236	0	5	5	COC(=O)CN(Cc1ccccc1)C(=O)c1ccn(C)n1
342084735	ZINC000608934745	ref	3.58	-13.59	0	270.716	1.627	1	4	4	COC(=O)c1cc(NC(=O)CN(C)C)ccc1Cl
342084736	ZINC000608934745	mid	5.96	-49.11	1	270.716	1.627	2	3	4	COC(=O)c1cc(NC(=O)C[NH+](C)C)ccc1Cl
365625582	ZINC000336544698	mid	9.62	-49.33	1	274.343	2.118	1	3	3	Cn1ncnc1C[N@@H+]1CC[C@](C)(c2ccc(F)cc2)C1
365625584	ZINC000336544698	mid	9.35	-50.16	1	274.343	2.118	1	3	3	Cn1ncnc1C[N@H+]1CC[C@](C)(c2ccc(F)cc2)C1
365625585	ZINC000336545565	ref	6.78	-16.07	0	299.823	2.25	0	2	2	C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H](C)S1=O
398247312	ZINC000650864936	high	2.55	-5.96	0	299.459	1.957	3	3	8	CCC[C@H](C)[C@H](CO)NC(=O)NC[C@@H]1CCCCN1CC
214178580	ZINC000053364525	mid	13.12	-51.59	1	327.432	2.542	1	5	6	CCn1c(=O)c2ccccc2n2c(C[N@@H+](C)CCC(C)C)nnc12
178295253	ZINC000082790261	high	2.27	-7.47	0	292.198	1.96	1	3	4	CC[C@H](CN)S(=O)(=O)c1ccc(Br)cc1
168365438	ZINC000368505332	ref	3.89	-52.51	-1	347.436	3.427	1	4	4	CC(C)c1ccc(S(=O)(=O)[N-]c2cccc3c2OCC[C@H]3O)cc1
342084737	ZINC000608937516	ref	7.28	-16.74	0	291.351	1.366	0	5	2	COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccn(C)n1
214178584	ZINC000053370621	ref	2.27	-17.81	0	325.434	0.278	0	5	2	Cc1ccc(C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)n1C
168365439	ZINC000368505332	mid	3.74	-10.85	0	347.436	3.427	2	4	4	CC(C)c1ccc(S(=O)(=O)Nc2cccc3c2OCC[C@H]3O)cc1
190492534	ZINC000269411428	mid	7.75	-47.99	1	297.362	1.923	2	3	2	C[NH+]1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)CC1
282120925	ZINC000192699605	ref	6.0	-45.44	1	313.423	2.039	2	5	8	CCC(CC)(C[NH2+][C@@H](C)C(=O)Nc1nccs1)C(=O)OC
342084738	ZINC000608936782	ref	7.31	-17.6	0	299.33	1.679	1	5	5	COC(=O)[C@H]1C[C@H]1C(=O)Nc1cccc(Cn2cccn2)c1
230740632	ZINC000414354145	ref	7.62	-45.63	1	323.462	3.149	1	4	8	CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCN(CC)C1
342084739	ZINC000608935709	ref	7.45	-12.46	0	269.341	1.213	0	4	6	COCCN(C(=O)[C@@H]1C[C@@H]1C(=O)OC)C1CCCC1
342084740	ZINC000608936457	ref	5.43	-13.78	0	288.307	1.024	1	6	3	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C
342084741	ZINC000608939997	ref	5.08	-13.29	0	260.253	1.258	1	5	4	Cn1ccc(C(=O)NCc2ccc([N+](=O)[O-])cc2)n1
342084742	ZINC000608939059	ref	8.86	-16.94	0	277.32	1.888	0	4	5	COC(=O)[C@@H]1C[C@@H]1C(=O)N(Cc1ccc(C)o1)C1CC1
342084743	ZINC000608934735	ref	8.83	-13.44	0	286.291	1.015	1	6	4	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccccc1-n1cncn1
342084744	ZINC000608938380	ref	5.54	-8.91	0	283.305	1.282	1	6	4	COC(=O)c1ccsc1NC(=O)[C@@H]1C[C@H]1C(=O)OC
342084745	ZINC000608937517	ref	7.19	-16.92	0	291.351	1.366	0	5	2	COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccn(C)n1
342084746	ZINC000608935821	ref	7.64	-12.24	0	299.33	1.8	0	5	2	COC(=O)c1cccc2c1CCCN2C(=O)c1ccn(C)n1
365625583	ZINC000617393802	low	3.55	-12.42	0	296.396	0.572	1	5	3	CN=c1[nH]nc(CC(=O)N2CCO[C@@](C)(C3CC3)C2)s1
342084747	ZINC000608935122	ref	5.64	-12.8	0	254.293	1.783	1	4	3	C[C@H](NC(=O)c1ccn(C)n1)c1ccc(C#N)cc1
365625586	ZINC000617391846	ref	1.74	-11.8	0	254.33	0.525	1	3	3	CC(C)(C(N)=O)C(=O)N1CCO[C@@](C)(C2CC2)C1
365625588	ZINC000617390907	ref	1.91	-18.35	0	269.345	0.333	2	3	4	CNC(=O)NCCC(=O)N1CCO[C@@](C)(C2CC2)C1
365625591	ZINC000617393528	ref	5.03	-14.33	0	296.367	0.261	0	4	2	CC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
190492535	ZINC000269413129	ref	6.05	-7.16	0	251.327	2.417	0	5	2	C[C@@H]1CSCCN1c1nnc(C(F)F)s1
365625592	ZINC000617392729	ref	1.63	-18.6	0	267.329	0.215	2	3	3	C[C@@]1(C2CC2)CN(C(=O)C2(NC(N)=O)CC2)CCO1
342084748	ZINC000608936367	ref	5.38	-17.22	0	287.266	1.135	0	5	3	COC(=O)[C@H]1CCCN1C(=O)c1cnn(C)c1C(F)F
342084749	ZINC000608934799	ref	6.57	-15.99	0	287.319	1.454	1	5	5	COC(=O)C[C@H](NC(=O)c1ccn(C)n1)c1ccccc1
178295265	ZINC000082789852	ref	2.14	-46.86	1	268.165	2.114	1	2	3	C[C@H](C[NH3+])S(=O)(=O)c1cc(Cl)ccc1Cl
342084750	ZINC000608939306	ref	4.4	-14.99	0	290.279	1.267	1	6	5	COc1ccc([N+](=O)[O-])cc1CNC(=O)c1ccn(C)n1
342084751	ZINC000608935770	ref	5.85	-15.53	0	287.319	1.179	1	5	5	COC(=O)c1ccc(CCNC(=O)c2ccn(C)n2)cc1
168365443	ZINC000054161544	ref	-0.51	-41.12	1	197.238	0.463	1	4	3	C[C@@H]([NH3+])Cc1noc([C@@H]2CCOC2)n1
297220846	ZINC000051732187	ref	6.28	-12.04	0	252.745	2.996	0	2	1	C[C@H]1CCN(C(=O)c2cccnc2Cl)[C@H](C)C1
178295268	ZINC000082789852	high	1.75	-8.22	0	268.165	2.114	1	3	3	C[C@H](CN)S(=O)(=O)c1cc(Cl)ccc1Cl
342084752	ZINC000608937784	ref	6.25	-9.32	0	289.335	1.429	1	5	4	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccnc1N1CCCC1
342084753	ZINC000608939057	ref	7.96	-12.2	0	277.32	1.888	0	4	5	COC(=O)[C@@H]1C[C@H]1C(=O)N(Cc1ccc(C)o1)C1CC1
168365446	ZINC000082877877	ref	-1.74	-47.67	1	185.198	0.912	3	2	2	C[C@@H]([NH3+])[C@@H](O)c1cccc(F)c1O
342084754	ZINC000608940432	ref	6.0	-12.97	0	287.319	1.527	1	5	5	CCOC(=O)c1ccc(CNC(=O)c2ccn(C)n2)cc1
168365448	ZINC000082877877	high	-0.99	-51.09	0	185.198	0.912	2	2	2	C[C@@H]([NH3+])[C@@H](O)c1cccc(F)c1[O-]
342084755	ZINC000608937339	ref	6.79	-10.55	0	267.247	1.596	0	3	5	CCCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1C(=O)OC
342084756	ZINC000608935926	ref	5.07	-15.22	0	277.255	1.598	1	5	3	COC(=O)c1ccc(F)c(NC(=O)c2ccn(C)n2)c1
178295262	ZINC000237060733	ref	3.98	-77.34	1	361.49	1.497	2	4	4	CN1C(=O)CC[C@H](C(=O)NCC2([NH3+])CCCCCC2)[C@@H]1c1cnn(C)c1
178295263	ZINC000237057472	ref	3.97	-51.34	1	353.488	1.198	2	3	7	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H](C[NH2+]C)C2)cc1
398247315	ZINC000650868654	ref	-0.33	-10.65	0	270.304	1.473	4	3	6	C[C@@H](NC(=O)N[C@H](CO)CCF)c1cccc(O)c1
178295266	ZINC000237060122	ref	4.82	-50.91	1	372.263	1.62	2	3	6	CN(CC(=O)NCC[C@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)o1
168365441	ZINC000368506619	ref	11.24	-53.39	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21
168365442	ZINC000368506619	mid	11.5	-51.97	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21
398247318	ZINC000650865459	ref	3.24	-13.02	0	265.357	1.345	2	3	6	Cc1ccc(CCNC(=O)N(C)[C@@H](C)CCO)cn1
178295271	ZINC000237063412	ref	4.83	-52.24	1	356.81	1.338	3	4	8	C[NH2+]CCNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C
178295273	ZINC000237058615	ref	4.99	-63.3	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H](C[NH3+])C2CC2)cc1
178295277	ZINC000237060970	ref	2.04	-53.93	1	353.366	1.871	3	3	6	C[NH2+]C[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1NS(C)(=O)=O
365625587	ZINC000336545257	ref	6.55	-16.24	0	281.396	2.411	0	3	3	CN(C[C@@H]1CCCOC1)C(=O)[C@H]1CCCCCC(=O)C1
178295279	ZINC000237060970	high	2.04	-61.57	0	353.366	1.871	2	3	6	C[NH2+]C[C@H](C)C(=O)Nc1cc(C(F)(F)F)ccc1[N-]S(C)(=O)=O
178295280	ZINC000237059553	ref	4.81	-50.41	1	372.263	1.62	2	3	6	CN(CC(=O)NCC[C@@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)o1
178295281	ZINC000237067973	ref	2.74	-51.39	1	356.264	1.669	3	2	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNC(=O)c1cccc(Br)c1
365625589	ZINC000336545180	ref	6.5	-15.8	0	261.35	2.163	1	4	3	O=C(Cc1csc2nccn12)N[C@@H]1C=CCCC1
168365444	ZINC000368506619	mid	11.72	-93.97	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21
178295283	ZINC000237067973	high	2.45	-11.47	0	356.264	1.669	3	3	7	CC[C@H](C)[C@@H](N)C(=O)NCCNC(=O)c1cccc(Br)c1
365625590	ZINC000336545420	ref	8.22	-12.58	0	291.399	2.117	1	4	2	C[C@H]1CCCCN(C(=O)N[C@@H](C)c2nnc3n2CCC3)C1
168365445	ZINC000368506619	mid	11.97	-93.57	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21
365625593	ZINC000336545532	ref	4.57	-11.03	0	292.31	2.218	2	3	3	COC1(C(=O)Nc2cc3c(cc2F)NC(=O)CC3)CCC1
168365447	ZINC000368506622	ref	11.54	-50.63	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21
342599698	ZINC000590840433	mid	5.46	-30.49	1	295.427	1.506	2	2	5	C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+](CC(N)=O)C1CCCC1
342599699	ZINC000590840433	mid	5.44	-30.49	1	295.427	1.506	2	2	5	C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CC(N)=O)C1CCCC1
365625594	ZINC000336545166	ref	4.66	-7.53	0	268.382	2.399	0	4	1	Cc1nc(C)c(C(=O)N2CC(C)(C)OC[C@@H]2C)s1
365625597	ZINC000336545417	ref	3.74	-13.3	0	269.291	2.487	2	2	3	O=C(N[C@H]1CCCC(F)(F)C1)c1cccc(CO)c1
214178587	ZINC000053365295	ref	3.13	-51.79	1	327.45	1.641	3	3	8	CC(C)CC[N@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1
365625599	ZINC000336545046	ref	5.21	-32.88	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@H](C)[N@H+](C)C[C@H]2C)s1
342599700	ZINC000616994959	ref	6.17	-43.26	1	295.427	1.235	2	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCN2CCCC2=O)C1
398247319	ZINC000390756815	high	4.96	-40.12	1	228.405	1.669	1	2	3	CC(C)[C@H]1CN(C[C@H]2CC[NH2+]C2)CCS1
342599701	ZINC000616994959	mid	6.22	-43.8	1	295.427	1.235	2	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCN2CCCC2=O)C1
185091176	ZINC000096081303	ref	5.41	-12.44	0	292.364	0.764	0	5	3	O=C1C[C@H]2[C@H](CCN2C(=O)c2csnn2)N1CC1CC1
214178591	ZINC000053365295	mid	3.12	-51.91	1	327.45	1.641	3	3	8	CC(C)CC[N@@H+](C)CCC(=O)Nc1cccc(S(N)(=O)=O)c1
214178594	ZINC000053360923	ref	8.4	-34.96	0	349.39	3.054	1	4	5	Cc1ccc(C)c(Oc2ccc(CNC(=O)c3cccc[n+]3[O-])cn2)c1
342599702	ZINC000590835300	ref	5.9	-16.57	0	277.368	1.891	1	3	1	C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CC23CCOCC3)C1
214178600	ZINC000053373172	ref	9.1	-15.61	0	339.439	2.812	0	4	3	Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCO[C@@H]2CCC[C@@H]21
197599425	ZINC000162901923	ref	6.52	-44.55	1	310.482	2.725	2	2	9	CCOCCC1(CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)CCC1
282120927	ZINC000358530289	mid	10.02	-85.57	2	323.868	2.353	2	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1
349533586	ZINC000621226275	ref	6.48	-14.84	0	277.29	2.057	1	3	5	Cn1cncc1CC(=O)NCC(C)(C)CC(F)(F)F
349533588	ZINC000621226275	low	7.0	-37.05	1	277.29	2.057	1	2	5	Cn1c[nH+]cc1CC(=O)NCC(C)(C)CC(F)(F)F
349533591	ZINC000621226785	ref	5.02	-10.65	0	253.264	2.26	1	2	4	CC(C)(CNC(=O)[C@@H]1CCCO1)CC(F)(F)F
349533593	ZINC000621229274	ref	3.76	-8.64	0	263.263	2.427	2	2	4	Cc1cc(C(=O)NCC(C)(C)CC(F)(F)F)[nH]n1
365625600	ZINC000336545046	mid	5.66	-32.11	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)s1
295666642	ZINC000412990610	ref	9.81	-20.76	0	320.393	2.643	0	5	4	CCn1c(C)nnc1S[C@@H]1CCN(c2ccc(F)cc2)C1=O
349533589	ZINC000621488803	ref	6.8	-9.92	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2CCC[C@H](C)[C@@H]2C)c1
349533592	ZINC000621486640	ref	7.07	-7.1	0	297.345	3.178	1	2	5	COCC1(C(=O)NCc2ccc(F)c(F)c2)CCCCC1
349533598	ZINC000621488012	ref	6.97	-11.73	0	291.354	3.138	2	3	3	C[C@H](NC(=O)c1ccc(N)nc1)c1cccc2ccccc12
214178589	ZINC000278478124	ref	1.01	-9.38	0	312.728	2.493	2	4	5	CCc1ocnc1C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1
349533604	ZINC000621483968	ref	5.2	-15.71	0	298.346	3.285	1	4	4	CN(C(=O)Nc1ccc(Oc2cccnn2)cc1)C1CCC1
349533608	ZINC000621486556	ref	3.93	-6.17	0	276.361	3.033	1	4	5	CC[C@@H](NC(=O)c1cc(OC)ns1)c1ccccc1
282120928	ZINC000192699605	high	5.05	-13.11	0	313.423	2.039	2	6	8	CCC(CC)(CN[C@@H](C)C(=O)Nc1nccs1)C(=O)OC
295666644	ZINC000412990196	ref	8.77	-12.01	0	316.401	2.545	1	3	7	CC[C@]1(C(C)C)NC(=O)N(CC(=O)CCc2ccccc2)C1=O
214178593	ZINC000278477693	ref	5.94	-9.25	0	316.17	2.758	0	2	1	Cc1ccc(F)c(C(=O)N2CCOC[C@@H]2C)c1Br
398247320	ZINC000650865463	ref	2.38	-12.92	0	291.395	1.784	3	3	7	Cc1ccc(CCNC(=O)NCCC2(CO)CCC2)cn1
342599703	ZINC000590836124	ref	6.23	-44.55	1	272.356	1.193	1	5	3	C[NH+](C)C1CCN(c2cncc(-n3cccn3)n2)CC1
342599704	ZINC000590836179	ref	4.48	-20.06	0	267.235	1.961	1	3	2	COc1cc(F)c(F)cc1NC(=O)N1CC(C#N)C1
342599705	ZINC000590835609	ref	4.54	-13.26	0	267.304	1.367	1	3	2	C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1
365625595	ZINC000617393770	ref	3.14	-7.4	0	282.384	0.735	0	4	3	CCN1CCOC[C@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
365625596	ZINC000617393773	ref	3.41	-7.25	0	282.384	0.735	0	4	3	CCN1CCOC[C@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
365625598	ZINC000617390737	ref	6.7	-40.02	1	252.358	0.966	1	2	2	C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365625601	ZINC000617390737	mid	6.71	-40.97	1	252.358	0.966	1	2	2	C[N@H+]1CC[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
398247323	ZINC000650866085	ref	1.15	-8.1	0	289.376	1.786	3	4	7	CCc1nc([C@@H](C)NC(=O)N[C@@H](CO)CCF)cs1
398247325	ZINC000650864938	ref	3.99	-37.86	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@@H]1CCCC[N@@H+]1CC
365625603	ZINC000617390792	ref	4.1	-8.94	0	250.302	0.456	0	5	2	Cn1cc(C(=O)N2CCO[C@](C)(C3CC3)C2)nn1
365625606	ZINC000617393772	ref	3.35	-7.33	0	282.384	0.735	0	4	3	CCN1CCOC[C@@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
214178592	ZINC000293494971	ref	4.8	-20.35	0	355.398	0.879	1	5	4	N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C2)nc1
230740643	ZINC000450463097	ref	5.59	-11.45	0	309.337	1.76	1	4	6	COc1ccccc1C(=O)CNC(=O)C1(CF)CCOCC1
214178598	ZINC000293494692	ref	3.03	-14.92	0	352.343	0.237	2	7	7	COCc1cc(NC(=O)C(=O)NCCC(=O)OC)cc(C(=O)OC)c1
230740645	ZINC000450463568	ref	6.74	-11.48	0	311.341	1.975	1	5	6	COc1ccccc1C(=O)CNC(=O)c1cnc(C2CC2)nc1
342084757	ZINC000608938552	ref	5.17	-17.32	0	260.253	1.258	1	5	4	Cn1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])n1
214178608	ZINC000293499167	ref	3.32	-16.5	0	374.397	0.793	3	7	6	CC[C@H](O)CNC(=O)C(=O)Nc1cc(C(=O)OC)ccc1-n1cc(C)cn1
178295286	ZINC000237063219	ref	6.98	-50.84	1	364.49	1.335	2	3	5	CC[NH2+]CC1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1
178295288	ZINC000237060267	ref	6.46	-49.47	1	373.478	1.947	1	3	4	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCC[NH2+]CC2)c1
214178616	ZINC000293504620	ref	4.89	-13.08	0	362.386	0.315	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@]2(CCCO2)[C@@H]1C1CC1
282120929	ZINC000114399443	ref	11.3	-87.09	2	329.488	2.309	2	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1
214178619	ZINC000293488653	ref	8.28	-14.11	0	366.422	0.611	1	7	3	CN(C[C@H]1CCCN1C(=O)C(=O)Nc1ncn(C)n1)C(=O)OC(C)(C)C
168365449	ZINC000368506622	mid	11.11	-50.95	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21
282120934	ZINC000114399443	mid	11.48	-81.73	2	329.488	2.309	2	1	5	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1
168365770	ZINC000069606402	high	2.58	-27.8	1	198.31	0.977	2	2	2	C[C@@H](N)[C@@H]1CCCC[N@H+]1[C@@H]1CCOC1
214178626	ZINC000293495550	ref	4.35	-57.94	-1	359.342	0.45	1	8	6	COC(=O)c1cn(-c2cccc(NC(=O)C(=O)[N-]OCC3CC3)c2)nn1
365625602	ZINC000336545046	mid	3.34	-3.65	0	253.415	2.23	0	4	3	CCc1cnc(CN2C[C@H](C)N(C)C[C@H]2C)s1
185091178	ZINC000096080872	ref	7.22	-53.84	1	273.38	1.628	1	2	3	CC(C)C(=O)N1C[C@H]2C[NH+](Cc3cccnc3)C[C@@H]2C1
214178631	ZINC000293490798	ref	1.56	-18.13	0	351.378	0.77	3	4	5	O=C(NC[C@H]1CC[C@@H](CO)O1)N[C@@H]1CC(=O)N(c2ccccc2F)C1
365625604	ZINC000336544748	ref	4.96	-18.3	0	298.342	2.138	2	3	2	Cc1cc(=O)[nH]cc1C(=O)N[C@H]1COc2c(C)cccc2C1
295666643	ZINC000354040368	ref	4.41	-7.93	0	326.462	1.464	2	4	3	O=C(NC[C@@H]1CCCS1)C(=O)N[C@@H]1CCCC12CCOCC2
230740654	ZINC000425557259	ref	5.45	-18.19	0	322.336	2.141	1	5	6	COc1cc([C@H](C#N)NC(=O)[C@@]2(C)C[C@H]2F)cc(OC)c1OC
282120931	ZINC000192704394	ref	9.37	-44.39	1	332.444	2.533	1	3	7	CCC(CC)(C[NH2+][C@@H](C)C(=O)N1CCc2ccccc21)C(=O)OC
178295289	ZINC000237060267	high	5.15	-12.76	0	373.478	1.947	1	4	4	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCCNCC2)c1
178295291	ZINC000237063022	ref	5.77	-92.69	2	360.437	1.333	3	4	6	C[NH+](C)Cc1cc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1F
185091180	ZINC000096080872	high	4.66	-10.73	0	273.38	1.628	0	3	3	CC(C)C(=O)N1C[C@H]2CN(Cc3cccnc3)C[C@@H]2C1
282120932	ZINC000192704394	high	8.4	-11.39	0	332.444	2.533	1	4	7	CCC(CC)(CN[C@@H](C)C(=O)N1CCc2ccccc21)C(=O)OC
230740661	ZINC000425558273	ref	4.68	-9.08	0	311.407	2.334	2	5	5	COC(=O)c1cnc([C@@H](C)NC(=O)N[C@@H]2C[C@H]2C(C)C)s1
178295292	ZINC000237063022	mid	3.36	-54.87	1	360.437	1.333	2	5	6	CN(C)Cc1cc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1F
185091182	ZINC000096079410	ref	7.65	-99.32	2	286.419	2.393	2	1	1	Cc1ccc2c(c1)[C@@H]([NH+]1CCOCC1)CC21CC[NH2+]CC1
230740663	ZINC000425560433	ref	5.9	-13.83	0	319.449	2.471	3	2	10	CC[C@@H](C)CNC(=O)NCCNC(=O)CCCc1ccccc1
178295293	ZINC000237060150	ref	5.35	-58.93	1	357.458	1.531	3	3	7	CC[NH2+]CC1CCN(C(=O)CCNC(=O)c2[nH]nc3ccccc23)CC1
178295295	ZINC000237060150	mid	5.33	-56.48	1	357.458	1.531	3	3	7	CC[NH2+]CC1CCN(C(=O)CCNC(=O)c2n[nH]c3ccccc23)CC1
178295297	ZINC000237061002	ref	5.06	-66.25	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H]([NH3+])C2CC2)c1
178295299	ZINC000237056888	ref	7.32	-65.86	1	358.442	1.437	2	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[NH2+]CCO3)ccc21
178295300	ZINC000237056888	mid	5.97	-23.46	0	358.442	1.437	2	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3CNCCO3)ccc21
178295301	ZINC000237067304	ref	4.67	-62.0	1	373.478	1.993	1	3	4	Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)cc1
365625605	ZINC000336544609	ref	5.24	-44.55	1	253.386	2.349	1	2	3	CC(C)C1CC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)C1
342599706	ZINC000616994958	ref	6.23	-43.97	1	295.427	1.235	2	2	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCN2CCCC2=O)C1
365625608	ZINC000336544783	ref	7.45	-14.76	0	269.348	2.245	1	3	2	Cc1cccc(C(=O)N[C@H]2CCn3ccnc3C2)c1C
282120933	ZINC000494748153	ref	8.8	-42.4	1	307.434	3.332	1	3	9	CCC(CC)(C[NH2+][C@@H](C)[C@H](OC)c1ccccc1)C(=O)OC
214178599	ZINC000278476148	ref	6.42	-11.67	0	310.397	2.976	2	2	2	CNC(=O)N1CCC(O)(c2ccc(-c3ccccc3)cc2)CC1
214178603	ZINC000278476441	ref	4.83	-6.91	0	317.364	2.553	0	5	4	Fc1cccc(Cc2noc(CN3CCO[C@@H]4CCC[C@@H]43)n2)c1
214178607	ZINC000278476839	ref	8.65	-50.24	1	315.417	2.17	2	3	5	C[C@@H]1C[N@H+](CCCNC(=O)c2cc3ccccn3c2)CCCO1
342599707	ZINC000616994958	mid	6.19	-43.57	1	295.427	1.235	2	2	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCN2CCCC2=O)C1
214178611	ZINC000278476839	mid	8.25	-48.23	1	315.417	2.17	2	3	5	C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3ccccn3c2)CCCO1
214178614	ZINC000278476839	high	6.62	-13.84	0	315.417	2.17	1	4	5	C[C@@H]1CN(CCCNC(=O)c2cc3ccccn3c2)CCCO1
185091183	ZINC000096079410	mid	5.44	-44.74	1	286.419	2.393	1	2	1	Cc1ccc2c(c1)[C@@H](N1CCOCC1)CC21CC[NH2+]CC1
214178618	ZINC000278476436	ref	4.65	-6.92	0	317.364	2.553	0	5	4	Fc1cccc(Cc2noc(CN3CCO[C@H]4CCC[C@@H]43)n2)c1
214178622	ZINC000278477565	ref	5.42	-54.66	1	322.43	1.419	1	3	6	CC(C)(C)[S@@](=O)CC[NH2+]CCN1C(=O)c2ccccc2C1=O
185091185	ZINC000096081117	ref	4.44	-14.3	0	258.321	1.352	1	2	2	CCc1ccc(C(=O)N2CC[C@H]3NC(=O)C[C@@H]32)cc1
214178623	ZINC000278477565	high	4.07	-17.56	0	322.43	1.419	1	4	6	CC(C)(C)[S@@](=O)CCNCCN1C(=O)c2ccccc2C1=O
295666645	ZINC000412991031	ref	4.89	-11.1	0	314.48	2.537	1	6	8	CCCNC(=O)CCCSc1nnc(N2CCCC2)s1
365625607	ZINC000617391796	ref	4.98	-11.7	0	266.341	0.492	0	3	2	CC(=O)N1CC(C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365625610	ZINC000617393316	ref	3.76	-10.04	0	287.323	0.994	1	5	2	C[C@@]1(C2CC2)CN(C(=O)c2cnc3n[nH]nc3c2)CCO1
342599708	ZINC000590835261	ref	4.81	-11.8	0	262.288	1.537	1	3	2	Cc1ccncc1CNC(=O)N1CC[C@](F)(C#N)C1
214178627	ZINC000278477317	ref	8.63	-46.61	1	310.401	2.652	2	3	4	Cn1ccnc1-c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1
214178629	ZINC000278477317	mid	9.3	-40.73	1	310.401	2.652	2	3	4	Cn1ccnc1-c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1
178295303	ZINC000237063598	ref	5.09	-56.67	1	364.465	1.354	2	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
214178632	ZINC000278477317	mid	6.36	-12.71	0	310.401	2.652	1	4	4	Cn1ccnc1-c1cccc(NC(=O)[C@@H]2CCCN2C2CC2)c1
365625609	ZINC000336544783	low	7.92	-33.23	1	269.348	2.245	1	2	2	Cc1cccc(C(=O)N[C@H]2CCn3cc[nH+]c3C2)c1C
295666646	ZINC000131650020	ref	6.02	-13.91	0	322.43	2.144	1	4	4	O=C(NC[C@@H]1CCCS1)C1CCN(C(=O)c2ccoc2)CC1
398247321	ZINC000313438724	ref	9.22	-6.8	0	242.366	4.133	1	2	5	CC[C@H](Nc1cccc(CC#N)c1)C1CCCC1
365625611	ZINC000336544660	ref	5.26	-12.63	0	259.349	2.179	1	2	2	Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)N1CC(O)C1
178295304	ZINC000237063598	high	4.76	-19.19	0	364.465	1.354	2	4	7	CC[C@H](C)[C@@H](N)C(=O)NCCC(=O)N1CCN(c2ccc(F)cc2)CC1
342599709	ZINC000616994602	ref	5.26	-37.47	1	281.444	1.707	3	1	3	C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
199273215	ZINC000181261222	high	6.51	-7.35	0	320.481	3.011	1	4	6	CCC(CC)n1nc(C)cc1C(=O)N[C@@H]1CN(C(C)C)C[C@@H]1C
178295305	ZINC000237064243	ref	4.73	-49.49	1	371.528	1.604	1	4	5	C[NH2+]C[C@H]1CCCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)C1
178295307	ZINC000237062992	ref	6.58	-51.87	1	364.49	1.335	2	3	5	CC[NH2+]CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1
178295308	ZINC000237061873	ref	6.71	-62.84	1	359.47	1.673	1	3	5	C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(OC)cc2)CC1
295666651	ZINC000334958322	ref	5.38	-45.91	1	283.441	1.667	2	2	2	O=C(NC[C@@H]1CCCS1)N1CCC2(CC[NH2+]CC2)C1
365625612	ZINC000336545564	ref	6.49	-20.67	0	299.823	2.25	0	2	2	C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@@H](C)[S@@]1=O
214178605	ZINC000337606586	ref	2.52	-15.59	0	269.345	0.165	1	5	7	CN(CCOCCO)C(=O)C(C)(C)c1cnn(C)c1
365625614	ZINC000336544608	ref	5.18	-42.15	1	253.386	2.349	1	2	3	CC(C)C1CC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)C1
365625616	ZINC000336545345	ref	7.54	-7.69	0	256.353	2.165	0	4	3	CCn1ncnc1CN1CCc2cccc(C)c2C1
178295310	ZINC000237062757	ref	6.83	-51.54	1	364.49	1.335	2	3	5	CC[NH2+]CC1CCN(C(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1
365625617	ZINC000336545345	low	10.21	-44.16	1	256.353	2.165	1	3	3	CCn1ncnc1C[N@@H+]1CCc2cccc(C)c2C1
199273217	ZINC000181265294	ref	10.98	-17.11	0	301.325	2.275	1	4	2	Cn1ncnc1NC(=O)N1CC=C(c2ccc(F)cc2)CC1
365625619	ZINC000336545345	low	10.08	-45.27	1	256.353	2.165	1	3	3	CCn1ncnc1C[N@H+]1CCc2cccc(C)c2C1
365625620	ZINC000336544855	ref	5.64	-56.48	1	282.384	2.365	1	3	3	Fc1cncc(C[NH2+][C@H]2CCO[C@@]3(CCSC3)C2)c1
349533590	ZINC000093236759	ref	3.15	-10.36	0	276.384	0.848	0	4	4	C[C@@H](c1ccccn1)N(C)CC(=O)N1CCN(C)CC1
349533594	ZINC000621229190	ref	3.72	-8.75	0	285.306	2.134	1	3	9	COCCOCCC(=O)NCC(C)(C)CC(F)(F)F
349533596	ZINC000621226784	ref	4.99	-10.96	0	253.264	2.26	1	2	4	CC(C)(CNC(=O)[C@H]1CCCO1)CC(F)(F)F
282120935	ZINC000183880103	ref	6.02	-45.28	1	257.374	1.98	1	3	7	CCC(CC)(C[NH2+][C@@H](C)[C@H]1CCOC1)C(=O)OC
349533599	ZINC000621227967	ref	6.51	-36.9	1	268.323	2.423	2	1	7	CC[NH+](CC)CC(=O)NCC(C)(C)CC(F)(F)F
282120938	ZINC000422796124	ref	7.61	-115.87	2	260.425	2.942	2	0	7	CCC(CC)(C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1
197599426	ZINC000290112883	ref	2.81	-9.52	0	296.754	2.772	1	5	5	CO[C@@H](c1cccc(Cl)c1)c1noc(CC(C)(C)O)n1
282120941	ZINC000422796124	high	5.93	-41.19	1	260.425	2.942	2	1	7	CCC(CC)(C[NH2+][C@@H](C)C1CNC1)c1ccccc1
214178617	ZINC000053357947	ref	7.08	-18.71	0	340.427	2.485	1	3	2	CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C1
365625613	ZINC000617391677	ref	4.43	-13.91	0	293.367	0.351	1	5	4	Cn1cc(C[C@@H](O)C(=O)N2CCO[C@](C)(C3CC3)C2)cn1
349533601	ZINC000621227967	high	4.48	-7.56	0	268.323	2.423	1	2	7	CCN(CC)CC(=O)NCC(C)(C)CC(F)(F)F
214178621	ZINC000053371919	ref	7.26	-13.66	0	328.412	3.259	1	3	5	CCCN(C(=O)[C@H]1CCC(=O)NC1)[C@H](C)c1cc2ccccc2o1
214178625	ZINC000053370421	ref	8.17	-8.17	0	348.838	1.747	1	7	4	CN(C)c1nc(N)nc(CN2CCO[C@H](c3ccc(Cl)cc3)C2)n1
342599710	ZINC000616994602	mid	5.26	-38.05	1	281.444	1.707	3	1	3	C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1
398247324	ZINC000390748355	ref	3.33	-98.92	2	212.337	0.833	3	1	7	OCCCC[N@H+](C[C@H]1CC[NH2+]C1)C1CC1
290623275	ZINC000337244378	ref	1.29	-58.67	-1	308.363	1.187	2	4	4	CNC(=O)c1c([N-]S(=O)(=O)c2ccc(C)cc2)n[nH]c1C
398247327	ZINC000390748355	mid	3.21	-99.12	2	212.337	0.833	3	1	7	OCCCC[N@@H+](C[C@H]1CC[NH2+]C1)C1CC1
293080399	ZINC000561356863	ref	6.62	-36.8	1	285.432	1.337	2	2	6	CC[C@@H](NC(=O)C(=O)N(C)CCC[NH+](C)C)C(C)(C)C
214178634	ZINC000053359274	ref	5.56	-16.42	0	329.849	2.951	1	3	4	C[C@H](C(=O)NC1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1
214178639	ZINC000053356025	ref	7.63	-13.35	0	327.388	1.27	0	5	2	CC(=O)N1CCCN(C(=O)c2nn(-c3ccccc3)nc2C)CC1
282120942	ZINC000422796124	high	6.65	-38.38	1	260.425	2.942	2	1	7	CCC(CC)(CN[C@@H](C)C1C[NH2+]C1)c1ccccc1
190492549	ZINC000269413934	ref	6.09	-46.86	1	294.395	2.009	3	3	10	CC[NH+](CC)CCCCNC(=O)COc1ccccc1O
349533603	ZINC000621228123	ref	6.2	-14.48	0	272.352	2.21	0	4	4	CC(C)CN(C)C(=O)c1cn(C)nc1-c1ccncc1
398247329	ZINC000390748355	high	1.65	-40.82	1	212.337	0.833	2	2	7	OCCCCN(C[C@H]1CC[NH2+]C1)C1CC1
398247328	ZINC000650864938	mid	4.66	-36.72	1	299.459	1.957	4	2	8	CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@@H]1CCCC[N@H+]1CC
398247331	ZINC000650864938	high	2.64	-5.95	0	299.459	1.957	3	3	8	CCC[C@H](C)[C@@H](CO)NC(=O)NC[C@@H]1CCCCN1CC
365625615	ZINC000617393416	ref	3.91	-14.63	0	266.341	0.683	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCCC(=O)N2)CCO1
230740674	ZINC000425555932	ref	5.18	-10.47	0	318.417	2.134	2	3	8	C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)OC
178295311	ZINC000237065256	ref	5.76	-89.43	2	362.562	1.974	3	2	5	CN1CCC(CNC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)([NH+]2CCCCC2)CC1
365625618	ZINC000617391300	ref	5.2	-15.97	0	266.341	0.635	0	3	2	CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
214178609	ZINC000337606997	ref	1.82	-17.42	0	263.297	0.644	2	4	6	CN(CCOCCO)C(=O)c1cccc2cn[nH]c12
178295313	ZINC000237065256	low	8.15	-172.59	3	362.562	1.974	4	1	5	C[NH+]1CCC(CNC(=O)CC2C[C@@H]3CC[C@H](C2)[NH2+]3)([NH+]2CCCCC2)CC1
214178613	ZINC000337606997	mid	1.88	-24.77	0	263.297	0.644	2	4	6	CN(CCOCCO)C(=O)c1cccc2c[nH]nc12
214178615	ZINC000337608547	ref	6.43	-12.01	0	296.411	2.44	1	3	4	CS[C@@H](C)CC(=O)N1CCN[C@H](c2cccc(F)c2)C1
365625621	ZINC000617390896	ref	7.91	-14.23	0	290.367	0.868	0	5	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCc3nncn3C2)CCO1
290623276	ZINC000492527896	ref	4.04	-14.47	0	293.326	2.285	2	3	3	Cc1ccncc1/C=C/C(=O)Nc1cccc2c1C(=O)NC2
290623278	ZINC000492528011	ref	8.79	-15.94	0	296.374	2.463	0	4	3	Cc1ccncc1/C=C\C(=O)N1CCC(n2ccnc2)CC1
290623279	ZINC000492528011	low	9.47	-44.22	1	296.374	2.463	0	3	3	Cc1ccncc1/C=C\C(=O)N1CCC(n2cc[nH+]c2)CC1
178295314	ZINC000237066736	ref	4.36	-49.99	1	369.487	1.444	1	4	5	C[NH2+]C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)C1
398247334	ZINC000650868724	ref	6.85	-40.69	1	283.416	1.68	2	2	6	CC(C)O[C@@H]1CCCN(C(=O)NCC[N@H+](C)C2CC2)C1
365625623	ZINC000617392324	ref	5.74	-13.59	0	263.341	0.99	0	4	3	Cn1nccc1CC(=O)N1CCO[C@](C)(C2CC2)C1
295666647	ZINC000412990395	ref	13.17	-52.35	1	300.362	2.826	1	4	5	O=[N+]([O-])c1cn(Cc2cccc(C[NH+]3CCCCC3)c2)cn1
342084758	ZINC000608936784	ref	7.32	-13.04	0	299.33	1.679	1	5	5	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cccc(Cn2cccn2)c1
214178620	ZINC000337608547	low	7.69	-54.7	1	296.411	2.44	1	2	4	CS[C@@H](C)CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1
398247336	ZINC000650868724	mid	6.85	-41.0	1	283.416	1.68	2	2	6	CC(C)O[C@@H]1CCCN(C(=O)NCC[N@@H+](C)C2CC2)C1
214178624	ZINC000337606660	ref	5.21	-14.85	0	299.371	0.449	1	4	5	COC(=O)CCCNC(=O)N1CCN(C(=O)C(C)C)CC1
398247332	ZINC000076778349	ref	5.08	-12.47	0	242.319	2.699	2	2	4	CSC[C@H](C)NC(=O)Nc1cccc(F)c1
185091191	ZINC000096081715	ref	2.08	-5.28	0	292.379	1.344	0	5	4	c1cc(CN2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)co1
342599711	ZINC000616994602	mid	7.45	-79.93	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
185091193	ZINC000096081715	mid	4.3	-37.33	1	292.379	1.344	1	4	4	c1cc(C[N@H+]2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)co1
214178628	ZINC000337608488	ref	5.7	-11.4	0	285.428	2.45	1	3	8	CCN(CCOCCO)C(=O)C[C@H]1CCCCC1(C)C
214178633	ZINC000337607420	ref	2.63	-10.97	0	257.33	0.459	1	4	7	C[C@H]1C(=O)CC[C@H]1CC(=O)N(C)CCOCCO
185091194	ZINC000096081715	mid	4.29	-36.65	1	292.379	1.344	1	4	4	c1cc(C[N@@H+]2C[C@@H]3OCCN(C[C@@H]4CCCO4)[C@@H]3C2)co1
342599712	ZINC000616994602	mid	7.46	-80.19	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214178636	ZINC000337609009	ref	2.07	-15.05	0	276.283	0.932	2	3	4	O=C1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]2OC(F)F)N1
398247335	ZINC000097159624	ref	4.33	-49.64	1	233.319	1.092	2	3	5	Cc1n[nH]c(C)c1C[NH2+]CCc1cnn(C)c1
214178647	ZINC000337610158	ref	3.61	-12.5	0	298.383	0.365	0	5	3	CCN1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)OC)C1
214178652	ZINC000337610158	low	5.43	-38.76	1	298.383	0.365	1	4	3	CC[N@@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)OC)C1
214178655	ZINC000337610158	low	5.72	-35.57	1	298.383	0.365	1	4	3	CC[N@H+]1CCOC[C@@H]1C(=O)N1C[C@H](C)[C@@](C)(C(=O)OC)C1
342599713	ZINC000616994602	mid	5.26	-37.47	1	281.444	1.707	2	2	3	CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
214178658	ZINC000337605936	ref	2.41	-13.33	0	257.33	0.459	1	4	6	C[C@@H]1CC(=O)CC[C@H]1C(=O)N(C)CCOCCO
342599714	ZINC000616994602	mid	5.26	-38.05	1	281.444	1.707	2	2	3	CN1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
214178662	ZINC000337608866	ref	4.35	-27.31	0	296.308	0.813	1	8	6	CCOC(=O)Cc1nnc(NC(=O)Cc2ccon2)s1
214178665	ZINC000337608236	ref	-1.15	-18.75	0	287.341	0.161	3	4	7	O=C(NCCS(=O)(=O)NC1CC1)NCc1ccoc1
214178668	ZINC000337610642	ref	7.13	-15.54	0	299.392	2.223	1	5	9	CCC[C@@H](CNC(=O)COc1ccsc1)C(=O)OCC
214178673	ZINC000337608852	ref	1.67	-19.11	0	292.357	-0.232	1	5	5	COC(=O)CCCNC(=O)N(C)[C@H]1CCS(=O)(=O)C1
214178681	ZINC000337609530	ref	1.18	-12.78	0	296.367	2.151	3	4	6	COc1cc(NC(=O)N[C@H](C)[C@@H](C)CO)c(C)c(OC)c1
342599715	ZINC000616994795	ref	6.21	-43.38	1	291.395	1.697	2	3	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)COc2cccnc2)C1
214178635	ZINC000278477317	low	9.11	-79.28	2	310.401	2.652	2	2	4	Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1
365625622	ZINC000336544855	high	4.46	-6.35	0	282.384	2.365	1	4	3	Fc1cncc(CN[C@H]2CCO[C@@]3(CCSC3)C2)c1
365625624	ZINC000336544583	ref	8.34	-16.44	0	264.373	2.254	0	4	2	C[C@@H](CC(=O)N1CCn2cnnc2[C@H]1C)C(C)(C)C
365625625	ZINC000336545043	ref	5.51	-33.83	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)s1
365625627	ZINC000336545043	mid	5.88	-32.61	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1
178295315	ZINC000237058686	ref	5.3	-56.75	1	373.478	1.993	2	3	5	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@H]2CCC[NH2+]C2)cc1
178295316	ZINC000237058357	ref	2.72	-69.75	1	361.467	1.556	3	3	8	CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1
178295318	ZINC000237058357	high	2.36	-20.24	0	361.467	1.556	3	4	8	CCS(=O)(=O)NCc1ccc(C(=O)NC[C@@H](N)c2ccccc2)cc1
178295320	ZINC000237066577	ref	6.97	-50.73	-1	357.204	1.559	1	4	6	CC(=O)N(C)CC(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1
230740685	ZINC000450462371	ref	3.25	-13.4	0	305.33	1.314	2	5	5	C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C(=O)OC)c1cccc(O)c1
365625628	ZINC000336545043	mid	3.55	-3.9	0	253.415	2.23	0	4	3	CCc1cnc(CN2C[C@@H](C)N(C)C[C@H]2C)s1
365625630	ZINC000336544621	ref	3.68	-18.2	0	283.331	2.155	0	4	3	Cc1nnc(CC(=O)N2CC=C(c3ccccc3C)C2)o1
214178637	ZINC000278477317	low	9.75	-72.4	2	310.401	2.652	2	2	4	Cn1cc[nH+]c1-c1cccc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1
398247337	ZINC000097159624	high	2.96	-9.75	0	233.319	1.092	2	4	5	Cc1n[nH]c(C)c1CNCCc1cnn(C)c1
365625633	ZINC000336544840	ref	3.59	-13.96	0	287.812	2.301	0	3	3	COc1ccc(Cl)c(CN2CC[S@@](=O)[C@H](C)C2)c1
230740693	ZINC000450466783	ref	5.77	-17.62	0	322.792	1.933	0	4	4	COC(=O)c1cccc(CN2CCN(C3CC3)C(=O)C2)c1Cl
178295321	ZINC000237063484	ref	7.91	-49.07	1	358.486	1.602	2	2	5	CC[NH2+]CC1CCN(C(=O)CNC(=O)N2CCc3ccccc3C2)CC1
349533595	ZINC000093236759	mid	5.51	-44.29	1	276.384	0.848	1	3	4	C[C@@H](c1ccccn1)N(C)CC(=O)N1CC[NH+](C)CC1
398247340	ZINC000390757125	ref	5.9	-5.31	0	239.344	2.1	1	5	3	COc1cc(C)nc(N[C@@H]2CCS[C@@H]2C)n1
365625635	ZINC000336544781	ref	7.45	-14.89	0	269.348	2.245	1	3	2	Cc1cccc(C(=O)N[C@@H]2CCn3ccnc3C2)c1C
365625637	ZINC000336544781	low	7.92	-33.2	1	269.348	2.245	1	2	2	Cc1cccc(C(=O)N[C@@H]2CCn3cc[nH+]c3C2)c1C
214178638	ZINC000293499654	ref	3.59	-18.46	0	370.427	0.471	0	6	6	COCc1cc(C(=O)OC)cc(S(=O)(=O)N(C)[C@@H]2CCN(C)C2=O)c1
342084759	ZINC000608937960	ref	4.47	-15.29	0	292.335	1.294	1	5	6	COC(=O)[C@H]1C[C@H]1C(=O)NCc1cccnc1OC(C)C
214178648	ZINC000293503721	ref	2.81	-16.06	0	368.397	0.753	2	7	3	Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1
343994606	ZINC000599272484	ref	5.88	-39.77	1	255.314	1.587	2	4	7	CCOC(=O)C[C@H](O)C[N@H+](C)[C@@H](C)c1ccco1
342084760	ZINC000608939879	ref	5.05	-14.19	0	270.292	1.943	1	5	4	CCOc1ccc(C#N)cc1NC(=O)c1ccn(C)n1
214178654	ZINC000293502706	ref	4.58	-18.3	0	373.453	0.487	2	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1
214178660	ZINC000293493260	ref	2.9	-19.5	0	365.43	0.759	3	5	9	CC[C@H](O)CNC(=O)C(=O)Nc1cccc(OCC(=O)N(CC)CC)c1
342084761	ZINC000608935711	ref	6.68	-7.25	0	269.341	1.213	0	4	6	COCCN(C(=O)[C@H]1C[C@@H]1C(=O)OC)C1CCCC1
343994608	ZINC000599272484	mid	5.63	-42.87	1	255.314	1.587	2	4	7	CCOC(=O)C[C@H](O)C[N@@H+](C)[C@@H](C)c1ccco1
214178669	ZINC000293488738	ref	3.13	-15.43	0	374.401	0.685	2	8	7	COc1ccc(NC(=O)C(=O)NCCC2(OC)CCC2)cc1-n1cnnn1
214178674	ZINC000293491133	ref	0.14	-17.1	0	369.443	0.216	3	5	8	CO[C@H](CNC(=O)C(=O)Nc1ccc(CNS(C)(=O)=O)cc1)C1CC1
214178677	ZINC000293489238	ref	0.09	-50.41	-1	371.415	0.008	2	6	9	COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)[N-]OCC2CC2)cc1
214178684	ZINC000293498734	ref	3.25	-41.69	1	352.416	0.521	2	6	5	CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c2nccn2c1
214178688	ZINC000293498734	mid	3.25	-41.69	1	352.416	0.521	2	5	5	CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1
214178691	ZINC000293494554	ref	2.92	-12.58	0	360.37	0.6	3	7	6	COC(=O)c1cnn(C)c1NC(=O)C(=O)NCCCc1ccc(O)cc1
342084762	ZINC000608938168	ref	5.21	-17.89	0	289.291	1.224	1	6	5	COC(=O)COc1ccc(NC(=O)c2ccn(C)n2)cc1
342084763	ZINC000608938920	ref	5.92	-15.06	0	274.28	1.819	1	5	4	C[C@@H](NC(=O)c1ccn(C)n1)c1cccc([N+](=O)[O-])c1
342084764	ZINC000608937515	ref	7.26	-16.37	0	291.351	1.366	0	5	2	COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccn(C)n1
168365450	ZINC000050525423	ref	3.42	-41.13	1	175.235	1.383	1	2	2	C[C@@H]([NH3+])Cn1ncc2ccccc21
342084765	ZINC000608939973	ref	7.02	-17.26	0	263.293	1.467	0	4	4	COC(=O)[C@H]1C[C@H]1C(=O)N(C)c1ccccc1OC
295666648	ZINC000412990064	ref	7.9	-8.79	0	316.155	2.874	0	5	2	CC1(C)CCC[C@@H](n2cc(Br)c([N+](=O)[O-])n2)C1=O
343994609	ZINC000599272484	mid	3.27	-11.85	0	255.314	1.587	1	5	7	CCOC(=O)C[C@H](O)CN(C)[C@@H](C)c1ccco1
178295317	ZINC000011615804	ref	3.11	-12.21	0	239.296	2.421	1	3	2	Cc1cc2cc(NS(C)(=O)=O)c(C)cc2o1
214178640	ZINC000278477940	ref	8.15	-16.31	0	310.361	2.28	1	6	4	Cc1ccnc(-n2nc(C)cc2NC(=O)[C@H](C)n2cccn2)c1
185091196	ZINC000096081715	low	4.56	-36.28	1	292.379	1.344	1	4	4	c1cc(CN2C[C@@H]3OCC[N@@H+](C[C@@H]4CCCO4)[C@@H]3C2)co1
178295319	ZINC000116393062	ref	4.71	-13.51	0	243.31	2.119	2	2	2	Cc1cc2cc(N[C@H]3CCN(C)C3=O)ccc2[nH]1
365625626	ZINC000617392728	ref	1.42	-18.3	0	267.329	0.215	2	3	3	C[C@]1(C2CC2)CN(C(=O)C2(NC(N)=O)CC2)CCO1
365625629	ZINC000617392716	ref	4.98	-48.07	1	293.411	0.404	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2C[N@H+]3CCCN2CC3)CCO1
365625631	ZINC000617392716	mid	4.79	-45.75	1	293.411	0.404	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2C[N@@H+]3CCCN2CC3)CCO1
365625632	ZINC000617392716	high	3.15	-7.42	0	293.411	0.404	0	4	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CN3CCCN2CC3)CCO1
398247338	ZINC000650868724	high	4.56	-9.04	0	283.416	1.68	1	3	6	CC(C)O[C@@H]1CCCN(C(=O)NCCN(C)C2CC2)C1
365625634	ZINC000617391540	ref	1.51	-42.62	-1	298.368	0.63	1	5	4	C[C@]1(C2CC2)CN(C(=O)CSc2n[nH]c(=O)[n-]2)CCO1
178295326	ZINC000236802399	ref	3.9	-46.4	1	245.326	2.398	3	1	3	Cc1cc2cc(NC(=O)[C@@H]([NH3+])C(C)C)ccc2[nH]1
230740705	ZINC000425561380	ref	7.84	-15.11	0	313.405	2.238	1	4	8	C=CCn1cc(CNC(=O)N(C)CCCc2ccccc2)nn1
365625636	ZINC000617391540	low	2.71	-11.54	0	298.368	0.63	2	5	4	C[C@]1(C2CC2)CN(C(=O)CSc2n[nH]c(=O)[nH]2)CCO1
178295328	ZINC000236802399	high	3.24	-10.58	0	245.326	2.398	3	2	3	Cc1cc2cc(NC(=O)[C@@H](N)C(C)C)ccc2[nH]1
342084766	ZINC000608936456	ref	6.13	-19.54	0	288.307	1.024	1	6	3	COC(=O)[C@H]1C[C@H]1C(=O)Nc1cnc2c(c1)c(C)nn2C
342084767	ZINC000608938381	ref	5.58	-12.68	0	283.305	1.282	1	6	4	COC(=O)c1ccsc1NC(=O)[C@H]1C[C@H]1C(=O)OC
365625638	ZINC000617391049	ref	6.71	-18.56	0	293.367	0.964	0	5	5	Cn1ccnc1COCC(=O)N1CCO[C@@](C)(C2CC2)C1
365625641	ZINC000617392961	ref	6.52	-42.06	1	296.411	0.982	1	3	4	C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@](C)(C2CC2)C1
365625643	ZINC000617392961	mid	4.31	-7.17	0	296.411	0.982	0	4	4	C[C@@H](CN1CCOCC1)C(=O)N1CCO[C@](C)(C2CC2)C1
398249358	ZINC000651465520	low	4.23	-28.11	1	286.375	3.208	2	3	6	COc1cccc2c(NCCC3(CO)CCC3)cc[nH+]c12
185091197	ZINC000096081715	low	3.4	-32.61	1	292.379	1.344	1	4	4	c1cc(CN2C[C@@H]3OCC[N@H+](C[C@@H]4CCCO4)[C@@H]3C2)co1
214178641	ZINC000053357627	ref	6.34	-23.36	0	330.413	1.759	1	4	3	O=C1CSCN1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1
214178645	ZINC000053372905	ref	5.33	-18.7	0	343.387	1.032	0	7	5	O=C(Cn1nnc(COc2ccccc2)n1)N1CCO[C@@H]2CCC[C@H]21
178295323	ZINC000237062300	ref	5.41	-54.71	1	371.478	1.437	1	3	7	C[NH2+]C1CCN(C(=O)CCCN(C)S(=O)(=O)c2ccc(F)cc2)CC1
342599716	ZINC000616994795	mid	6.26	-43.83	1	291.395	1.697	2	3	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)COc2cccnc2)C1
178295324	ZINC000237059728	ref	3.58	-46.11	1	353.488	1.574	2	3	6	CN(C)C(=O)c1cccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)c1
342599717	ZINC000616994888	ref	4.42	-36.4	1	267.398	1.993	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cscn2)C1
197599443	ZINC000162899256	ref	6.18	-13.75	0	318.377	2.872	1	6	3	CCOC(=O)N1CCC(Nc2ncnc3oc(C)c(C)c23)CC1
365625639	ZINC000336545396	ref	6.07	-12.34	0	287.384	2.427	1	3	2	O=C(Cc1csc2ccccc12)N1C[C@H](O)C2(CC2)C1
342599718	ZINC000616994888	mid	4.47	-36.71	1	267.398	1.993	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cscn2)C1
342599719	ZINC000590835958	ref	5.03	-46.5	1	284.791	1.4	1	4	3	CC(C)[NH2+][C@@H]1CCCN(c2cnn(C)c(=O)c2Cl)C1
365625640	ZINC000336545369	ref	4.06	-13.35	0	296.392	2.064	1	3	4	CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@@H]2CC2(C)C)cc1
342599720	ZINC000590835608	ref	4.51	-12.77	0	267.304	1.367	1	3	2	C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@](F)(C#N)C1
290623281	ZINC000492527897	ref	4.0	-15.73	0	293.326	2.285	2	3	3	Cc1ccncc1/C=C\C(=O)Nc1cccc2c1C(=O)NC2
349533597	ZINC000093236759	low	7.82	-95.65	2	276.384	0.848	2	2	4	C[C@@H](c1ccccn1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1
178295325	ZINC000237057722	ref	9.32	-56.83	1	357.498	1.926	1	2	5	C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1
365625642	ZINC000336545416	ref	3.74	-13.38	0	269.291	2.487	2	2	3	O=C(N[C@@H]1CCCC(F)(F)C1)c1cccc(CO)c1
365625644	ZINC000336545482	ref	8.74	-50.03	-1	265.353	2.28	0	3	3	O=C([O-])C[C@@H]1CCCN(C(=O)[C@H]2CC23CCCC3)C1
365625646	ZINC000336544798	ref	6.97	-7.01	0	263.312	2.385	0	2	2	Cc1cc(F)ccc1C(=O)N1CCO[C@@H](C2CC2)C1
365625647	ZINC000336545418	ref	8.28	-12.65	0	291.399	2.117	1	4	2	C[C@H](NC(=O)N1CCCC[C@@H](C)C1)c1nnc2n1CCC2
365625649	ZINC000336545411	ref	2.08	-15.85	0	296.392	2.319	1	3	3	Cc1ccccc1S(=O)(=O)N1CC[C@@H](C)C[C@@H]1C(N)=O
365625645	ZINC000617393625	ref	3.47	-16.37	0	289.335	0.822	1	4	3	C[C@]1(C2CC2)CN(C(=O)c2cccnc2C(N)=O)CCO1
178295327	ZINC000237057876	ref	6.42	-50.94	1	350.419	1.631	1	5	7	CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N1CCC(OCCC[NH3+])CC1
365625648	ZINC000617391797	ref	4.68	-11.64	0	266.341	0.492	0	3	2	CC(=O)N1CC(C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
214178644	ZINC000278477712	ref	6.43	-42.97	1	311.397	2.202	2	3	10	COC[C@H](C)OC[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1
365625651	ZINC000617391459	ref	4.69	-7.97	0	266.341	0.492	0	3	2	CN1CC[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1=O
214178646	ZINC000278477712	mid	6.74	-40.73	1	311.397	2.202	2	3	10	COC[C@H](C)OC[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1
365625653	ZINC000617393015	ref	3.56	-8.96	0	264.329	0.643	1	5	2	Cn1ncc(C(=O)N2CCO[C@@](C)(C3CC3)C2)c1N
214178649	ZINC000278477712	high	4.65	-7.4	0	311.397	2.202	1	4	10	COC[C@H](C)OC[C@H](O)CN(Cc1cccc(F)c1)C1CC1
214178651	ZINC000278476838	ref	8.24	-48.2	1	315.417	2.17	2	3	5	C[C@H]1C[N@H+](CCCNC(=O)c2cc3ccccn3c2)CCCO1
398247339	ZINC000356342562	ref	3.97	-8.34	0	242.363	2.433	2	2	6	CCC[C@H](CNC(=O)NC1CCCCC1)OC
214178656	ZINC000278476838	mid	8.03	-52.02	1	315.417	2.17	2	3	5	C[C@H]1C[N@@H+](CCCNC(=O)c2cc3ccccn3c2)CCCO1
214178659	ZINC000278476838	high	6.05	-13.57	0	315.417	2.17	1	4	5	C[C@H]1CN(CCCNC(=O)c2cc3ccccn3c2)CCCO1
214178661	ZINC000278478101	ref	1.24	-17.97	0	316.283	1.218	3	3	4	NC(=O)N1CCc2ccc(NC(=O)CNCC(F)(F)F)cc21
178295330	ZINC000237061206	ref	5.28	-59.6	1	373.478	1.993	2	3	5	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@@H]2CCC[NH2+]C2)c1
178295332	ZINC000237064950	ref	5.22	-16.0	0	353.422	1.819	2	4	5	CN(C(=O)Cc1ccc(NC(=O)[C@H]2COCCN2)cc1)c1ccccc1
178295335	ZINC000237064950	low	6.64	-46.89	1	353.422	1.819	2	3	5	CN(C(=O)Cc1ccc(NC(=O)[C@H]2COCC[NH2+]2)cc1)c1ccccc1
178295336	ZINC000237056155	ref	5.37	-63.05	1	361.467	1.979	2	3	6	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCC(C)(C)[NH3+]
214178666	ZINC000278477451	ref	6.57	-10.47	0	323.194	1.946	0	5	3	Brc1cccnc1N1CCO[C@H](Cn2cccn2)C1
178295337	ZINC000237064514	ref	7.11	-47.81	1	353.264	1.923	2	3	3	CN(C)c1ncc(Br)cc1C(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2
214178670	ZINC000278476500	ref	6.79	-9.37	0	302.399	3.141	0	5	3	c1ccc2c(c1)CCCN2Cc1cnc(C2OCCO2)s1
398247342	ZINC000181783395	ref	7.45	-13.81	0	227.304	1.587	0	3	5	CCOC(=O)C[C@@H](C)N(C)C(=O)C1CCC1
365625650	ZINC000336544752	ref	4.96	-18.35	0	298.342	2.138	2	3	2	Cc1cc(=O)[nH]cc1C(=O)N[C@@H]1COc2c(C)cccc2C1
365625652	ZINC000336545543	ref	4.69	-8.83	0	282.409	2.029	1	2	5	CCCNS(=O)(=O)N1CC[C@@H](c2cccc(C)c2)C1
168365451	ZINC000082403065	ref	-1.59	-52.15	1	166.184	0.441	2	3	2	C[C@@H]([NH3+])Cc1nc2oncc2[nH]1
342599721	ZINC000590840432	ref	3.34	-6.73	0	295.427	1.506	1	3	5	C[C@@H]1CCC[C@@H](C)N1C(=O)CN(CC(N)=O)C1CCCC1
342599722	ZINC000590840432	mid	5.48	-30.42	1	295.427	1.506	2	2	5	C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+](CC(N)=O)C1CCCC1
365625654	ZINC000336545431	ref	5.78	-9.12	0	257.284	2.211	1	3	3	CCn1ccnc1C(=O)N[C@@H]1CCCC(F)(F)C1
365625656	ZINC000336544632	ref	3.58	-15.62	0	259.309	2.176	2	4	3	Cc1cc(O)ccc1NC(=O)[C@H](C)c1cnn(C)c1
342599723	ZINC000590840432	mid	5.44	-30.38	1	295.427	1.506	2	2	5	C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](CC(N)=O)C1CCCC1
307041611	ZINC000364126994	ref	5.83	-17.39	0	307.394	1.495	0	5	4	COC[C@H]1CCCCN(C(=O)C(=O)c2c(C)nn(C)c2C)C1
349533600	ZINC000093236759	low	7.8	-87.35	2	276.384	0.848	2	2	4	C[C@@H](c1ccccn1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1
365625658	ZINC000336544875	ref	6.24	-8.04	0	264.3	2.468	1	2	2	O=C(Nc1cccc(F)c1)N1CCO[C@@H](C2CC2)C1
178295334	ZINC000042098452	ref	7.73	-10.73	0	248.289	3.487	2	3	2	Cc1cc2cc(Nc3ccc(C#N)cn3)ccc2[nH]1
214178650	ZINC000053372958	ref	6.33	-10.14	0	326.396	3.054	0	4	4	O=C(CCc1ncc(-c2ccccc2)o1)N1CCO[C@H]2CCC[C@H]21
365625660	ZINC000336545044	ref	5.62	-34.6	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)s1
365625662	ZINC000336545044	mid	5.18	-35.21	1	253.415	2.23	1	3	3	CCc1cnc(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1
365625663	ZINC000336545044	mid	3.3	-4.06	0	253.415	2.23	0	4	3	CCc1cnc(CN2C[C@@H](C)N(C)C[C@@H]2C)s1
365625665	ZINC000336544788	ref	6.11	-9.45	0	288.391	2.033	0	3	3	CCN(C)C(=O)CN1CC2(CCOCC2)c2ccccc21
178295338	ZINC000001510108	ref	10.22	-5.17	0	206.288	4.61	0	0	0	Cc1cc2cc3ccccc3cc2cc1C
365625666	ZINC000336545421	ref	8.28	-12.75	0	291.399	2.117	1	4	2	C[C@@H]1CCCCN(C(=O)N[C@H](C)c2nnc3n2CCC3)C1
365625667	ZINC000336544851	ref	3.04	-10.56	0	289.422	2.292	1	4	4	Cc1ccc(S(=O)(=O)NC[C@H]2CCC(C)(C)O2)s1
230740734	ZINC000425557806	ref	5.98	-9.54	0	312.366	2.015	0	6	7	CCOC(=O)CCN(C(=O)c1conc1COC)C(C)(C)C
365625669	ZINC000336545361	ref	6.79	-16.94	0	291.322	2.279	0	3	3	CC(=O)c1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)c(F)c1
230740718	ZINC000450463850	ref	4.73	-13.29	0	301.39	1.683	2	4	6	CCc1ccc([C@H](CO)NC(=O)Cc2cn(C)nc2C)cc1
306234542	ZINC000557851447	ref	3.61	-18.82	0	338.371	1.887	3	4	2	C[C@@H](NC(=O)N1CCc2n[nH]c(=O)cc2C1)c1ccc2n[nH]cc2c1
290623283	ZINC000492526659	ref	7.56	-12.63	0	299.37	2.274	0	3	2	O=C(/C=C\c1ccc2c(c1)CCO2)N1CCOCC2(CC2)C1
290623285	ZINC000492526747	ref	7.23	-15.44	0	295.404	2.299	1	3	6	C[C@H](C[S@](C)=O)NC(=O)/C=C\c1ccc([C@@H]2C[C@H]2C)o1
306234543	ZINC000557850825	ref	1.58	-12.95	0	328.365	1.578	2	4	5	O=C1COc2ccc(S(=O)(=O)NCCC3(F)CCC3)cc2N1
342084768	ZINC000608937618	ref	5.5	-11.73	0	289.282	1.381	0	5	5	COC(=O)CN(C(=O)c1cnn(C)c1C(F)F)C(C)C
365625655	ZINC000617393463	ref	3.89	-6.88	0	271.382	0.882	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@]2(O)CCSC2)CCO1
365625657	ZINC000617391910	ref	3.49	-6.28	0	269.341	0.819	0	4	3	CO[C@@]1(C(=O)N2CCO[C@](C)(C3CC3)C2)CCOC1
398247341	ZINC000390753018	ref	4.84	-37.39	1	212.337	1.489	1	1	4	CC(C)CCN(C)C(=O)[C@@H]1[NH2+]CC1(C)C
398247343	ZINC000390753018	high	3.22	-7.21	0	212.337	1.489	1	2	4	CC(C)CCN(C)C(=O)[C@@H]1NCC1(C)C
398247344	ZINC000076778314	ref	5.15	-9.61	0	242.319	2.699	2	2	4	CSC[C@@H](C)NC(=O)Nc1ccc(F)cc1
214178653	ZINC000053356371	ref	9.16	-14.92	0	343.427	2.441	0	4	3	CC(=O)N1CCCN(C(=O)c2cc(C)n(Cc3ccco3)c2C)CC1
136228702	ZINC000283938146	ref	7.8	-6.72	0	219.328	2.603	0	1	2	C=CC[C@@H]1N(C(=O)C#CC)CCCC1(C)C
398247347	ZINC000285165021	ref	4.4	-9.86	0	240.263	1.482	2	4	5	CC[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)C(C)C
365625659	ZINC000617393016	ref	3.86	-9.11	0	264.329	0.643	1	5	2	Cn1ncc(C(=O)N2CCO[C@](C)(C3CC3)C2)c1N
342084769	ZINC000608934656	ref	5.73	-11.75	0	273.292	1.767	1	5	3	COC(=O)c1cccc(NC(=O)c2ccn(C)n2)c1C
365625661	ZINC000617391456	ref	4.74	-11.65	0	266.341	0.492	0	3	2	CN1CC[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1=O
365625664	ZINC000617390897	ref	8.22	-14.12	0	290.367	0.868	0	5	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CCc3nncn3C2)CCO1
398247348	ZINC000390749112	ref	2.37	-39.43	1	216.325	0.773	2	2	7	COCC[NH2+]CC(=O)NC(C)(C)C(C)C
398247351	ZINC000390749112	high	1.02	-7.38	0	216.325	0.773	2	3	7	COCCNCC(=O)NC(C)(C)C(C)C
178295339	ZINC000237064484	ref	4.85	-57.68	1	361.49	1.353	2	4	5	CN1C(=O)CC[C@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@H]1c1cnn(C)c1
259308883	ZINC000187713901	low	10.79	-92.11	2	235.375	2.955	1	1	4	CCC[C@H](C)[N@H+]1CC[C@H](C)[C@H](n2cc[nH+]c2)C1
398247353	ZINC000097159645	ref	2.19	-47.99	1	224.308	0.722	3	2	4	Cc1n[nH]cc1C[NH2+]CC(=O)NC(C)(C)C
178295340	ZINC000237061396	ref	5.29	-60.21	1	373.478	1.993	2	3	5	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H]2CCC[NH2+]C2)c1
342600650	ZINC000590851834	ref	5.31	-53.8	-1	297.376	1.655	1	4	7	CCC[C@H](CNC(=O)c1ccc([S@@](C)=O)cc1)C(=O)[O-]
398247345	ZINC000356358064	ref	3.12	-105.34	2	200.326	1.128	2	1	8	CO[C@H](C[NH2+][C@@H](C)CCC[NH3+])C1CC1
290623284	ZINC000281961921	ref	1.54	-21.82	0	348.363	-0.263	4	5	5	CNC(=O)c1c(NC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)n[nH]c1C
178295341	ZINC000237062338	ref	3.21	-52.93	1	368.503	1.459	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1
214178657	ZINC000053373571	ref	9.15	-17.43	0	342.42	3.153	0	5	4	COc1cc(C#N)ccc1OCC(=O)N1CCc2sccc2[C@H]1C
199273216	ZINC000294963264	high	2.89	-8.59	0	293.363	1.523	2	5	7	CC[C@H](NCC1(CO)COC1)c1ccc(C(=O)OC)cc1
214178663	ZINC000053357414	ref	10.79	-15.14	0	344.484	3.558	1	4	4	CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CSc2nc[nH]n2)cc1
178295343	ZINC000237059856	ref	1.51	-59.55	1	350.44	1.607	3	4	9	COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(O)c2)cc1
214178667	ZINC000053366729	ref	4.45	-15.43	0	347.459	1.865	2	4	9	CCCNC(=O)CN(CCC)CC(=O)N[C@@H]1CCOc2ccccc21
214178671	ZINC000053366729	low	6.27	-44.55	1	347.459	1.865	3	3	9	CCCNC(=O)C[N@H+](CCC)CC(=O)N[C@@H]1CCOc2ccccc21
214178672	ZINC000053366729	low	6.53	-44.88	1	347.459	1.865	3	3	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)N[C@@H]1CCOc2ccccc21
178295345	ZINC000237059856	mid	0.16	-12.17	0	350.44	1.607	3	5	9	COCCNS(=O)(=O)c1ccc(CNCc2cccc(O)c2)cc1
178295346	ZINC000237058201	ref	4.9	-62.17	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)cc1
214178676	ZINC000053362300	ref	6.13	-16.87	0	334.441	2.074	1	4	4	COc1cc(CNC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)ccc1C
178295348	ZINC000237062249	ref	2.5	-53.82	1	354.476	1.069	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1
342084770	ZINC000608934738	ref	9.57	-17.67	0	286.291	1.015	1	6	4	COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccccc1-n1cncn1
342084771	ZINC000608936783	ref	7.35	-19.86	0	299.33	1.679	1	5	5	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccc(Cn2cccn2)c1
185091204	ZINC000096081271	ref	2.06	-15.13	0	275.308	-0.111	1	4	3	O=C1C[C@H]2[C@H](CCN2C(=O)c2ccncc2)N1CCO
342084772	ZINC000608939588	ref	5.48	-10.78	0	289.282	1.383	0	5	6	CCN(CCC(=O)OC)C(=O)c1cnn(C)c1C(F)F
230740735	ZINC000450466982	ref	5.94	-11.4	0	316.401	1.826	2	3	9	C/C=C\COc1cccc(CC(=O)NCC(=O)NCC2CC2)c1
299072468	ZINC000567665836	high	7.13	-10.04	0	272.392	2.349	1	2	4	N[C@H](CC(=O)N1CCC2(CCC2)C1)Cc1ccccc1
365625668	ZINC000617392250	ref	4.98	-10.67	0	264.329	0.696	0	5	4	C[C@@]1(C2CC2)CN(C(=O)CCn2ccnn2)CCO1
365625670	ZINC000617392660	ref	4.59	-8.1	0	287.323	0.994	1	5	2	C[C@@]1(C2CC2)CN(C(=O)c2ccc3n[nH]nc3n2)CCO1
365625673	ZINC000617390908	ref	2.21	-18.13	0	269.345	0.333	2	3	4	CNC(=O)NCCC(=O)N1CCO[C@](C)(C2CC2)C1
365625675	ZINC000617392965	ref	6.27	-46.8	1	296.411	0.982	1	3	4	C[C@H](C[NH+]1CCOCC1)C(=O)N1CCO[C@@](C)(C2CC2)C1
365625678	ZINC000617392965	mid	4.21	-8.59	0	296.411	0.982	0	4	4	C[C@H](CN1CCOCC1)C(=O)N1CCO[C@@](C)(C2CC2)C1
214178675	ZINC000278477525	ref	2.97	-49.52	1	318.186	2.219	2	2	5	OCC[C@]1([NH2+]Cc2ccc(F)c(Br)c2)CCOC1
365625681	ZINC000617393242	ref	7.04	-12.77	0	264.329	0.867	0	5	3	C[C@@H](C(=O)N1CCO[C@](C)(C2CC2)C1)n1cncn1
365625683	ZINC000617393244	ref	7.2	-7.84	0	264.329	0.867	0	5	3	C[C@H](C(=O)N1CCO[C@](C)(C2CC2)C1)n1cncn1
342599724	ZINC000590835550	ref	9.15	-16.1	0	276.727	1.911	0	4	2	O=C(Cn1cncn1)N1CCCc2cccc(Cl)c21
342599725	ZINC000590836107	ref	6.64	-19.14	0	289.383	1.686	1	4	3	C[C@H](Cc1cnn(C)c1)NC(=O)N1CCC[C@@](C)(C#N)C1
365625685	ZINC000617391678	ref	4.17	-13.85	0	293.367	0.351	1	5	4	Cn1cc(C[C@@H](O)C(=O)N2CCO[C@@](C)(C3CC3)C2)cn1
214178678	ZINC000278477525	high	1.98	-6.35	0	318.186	2.219	2	3	5	OCC[C@]1(NCc2ccc(F)c(Br)c2)CCOC1
342599726	ZINC000590835482	ref	6.98	-11.79	0	281.352	1.357	0	4	3	COC(=O)[C@H]1CN(C(=O)C2(C3CCC3)CCC2)CCO1
342599727	ZINC000590835747	ref	6.12	-49.33	1	252.362	1.272	2	2	3	C[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)[NH+](C)C
342599728	ZINC000590835747	high	3.87	-14.73	0	252.362	1.272	1	3	3	C[C@@H](CNC(=O)N1CCC[C@@](C)(C#N)C1)N(C)C
365625686	ZINC000617392661	ref	4.33	-8.01	0	287.323	0.994	1	5	2	C[C@]1(C2CC2)CN(C(=O)c2ccc3n[nH]nc3n2)CCO1
349533602	ZINC000093232510	ref	2.53	-58.01	1	271.386	0.865	1	4	4	Cn1nccc1C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1
365625687	ZINC000617391484	ref	7.31	-14.61	0	263.341	0.99	0	4	3	Cn1cncc1CC(=O)N1CCO[C@](C)(C2CC2)C1
214190538	ZINC000337632435	ref	0.42	-13.59	0	283.307	0.058	3	4	6	Cc1nccc(CNC(=O)N[C@H](C)C(=O)NCCF)n1
342599729	ZINC000616994773	ref	6.38	-42.49	1	275.396	1.861	2	2	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cccnc2)C1
342599730	ZINC000616994773	mid	6.34	-41.86	1	275.396	1.861	2	2	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2cccnc2)C1
178295342	ZINC000336423208	ref	7.08	-9.79	0	242.322	3.461	2	1	2	Cc1cc2cc[nH]c2cc1NC(=O)[C@H]1CC1(C)C
178295344	ZINC000301857054	ref	6.25	-14.49	0	249.277	2.882	2	4	2	Cc1cc2cc(Nc3ccc(C#N)nn3)ccc2[nH]1
365625671	ZINC000336544582	ref	8.44	-17.79	0	264.373	2.254	0	4	2	C[C@H]1c2nncn2CCN1C(=O)C[C@H](C)C(C)(C)C
365625672	ZINC000336545380	ref	6.71	-8.54	0	274.364	2.004	0	3	3	CN(C)c1cccc(C(=O)N2CCO[C@@H](C3CC3)C2)c1
342599731	ZINC000616994896	ref	6.54	-38.61	1	291.395	1.235	2	3	3	Cn1cccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1=O
365625674	ZINC000336545394	ref	8.04	-10.25	0	274.364	2.349	0	2	3	CN(Cc1ccccc1)C(=O)N1CCO[C@H](C2CC2)C1
398249501	ZINC000370053958	high	5.73	-29.46	0	235.327	2.169	1	2	2	Cc1ccc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)c1
178295350	ZINC000179580720	ref	5.0	-37.57	1	247.338	3.081	2	2	4	Cc1cc2cc([C@H](C)[NH2+]C[C@H](C)O)oc2cc1C
230740745	ZINC000425559011	ref	6.6	-10.42	0	318.421	2.232	2	4	4	CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CC23CC3)[C@@H]1n1cccn1
365625676	ZINC000336544794	ref	4.29	-11.32	0	284.45	2.362	0	4	3	C[C@H]1CN(Cc2nc(C3CC3)cs2)C[C@H](C)S1=O
178295353	ZINC000179580720	high	3.71	-7.21	0	247.338	3.081	2	3	4	Cc1cc2cc([C@H](C)NC[C@H](C)O)oc2cc1C
365625677	ZINC000336545383	ref	3.74	-13.28	0	275.395	2.176	0	4	4	COc1ccsc1S(=O)(=O)N(C)[C@H]1CC1(C)C
178295356	ZINC000032818551	ref	5.1	-16.14	0	240.262	3.322	2	2	2	Cc1cc2cc(NC(=O)c3ccoc3)ccc2[nH]1
230740752	ZINC000425559268	ref	4.25	-13.98	0	324.406	2.23	2	6	6	COC(=O)c1cnc([C@H](C)NC(=O)NCC(C)(C)CC#N)s1
365625679	ZINC000336544858	ref	5.62	-58.24	1	282.384	2.365	1	3	3	Fc1cncc(C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)c1
190492551	ZINC000269410642	ref	7.15	-10.59	0	277.364	3.372	1	3	5	CC[C@@H](C)Oc1cccc(NC(=O)[C@H]2CCCCO2)c1
365625680	ZINC000336544858	high	4.44	-7.24	0	282.384	2.365	1	4	3	Fc1cncc(CN[C@@H]2CCO[C@@]3(CCSC3)C2)c1
365625682	ZINC000336545259	ref	6.46	-11.85	0	281.396	2.411	0	3	3	CN(C[C@@H]1CCCOC1)C(=O)[C@@H]1CCCCCC(=O)C1
365625684	ZINC000336544644	ref	5.04	-5.55	0	257.374	2.218	0	3	3	CC[C@](C)(OC)C(=O)N1CC(C)(C)OC(C)(C)C1
365625688	ZINC000336545177	ref	4.69	-12.74	0	251.395	2.338	0	2	2	Cc1ccc(CN2CC[S@](=O)CC2(C)C)cc1
365625690	ZINC000336545177	low	7.01	-39.39	1	251.395	2.338	1	1	2	Cc1ccc(C[N@@H+]2CC[S@](=O)CC2(C)C)cc1
365625692	ZINC000336545177	low	6.67	-46.65	1	251.395	2.338	1	1	2	Cc1ccc(C[N@H+]2CC[S@](=O)CC2(C)C)cc1
214178680	ZINC000278477176	ref	7.08	-49.08	1	302.426	1.529	1	5	4	Cc1nn(C)c(C)c1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1
214178682	ZINC000278477176	high	5.89	-9.34	0	302.426	1.529	1	6	4	Cc1nn(C)c(C)c1CN[C@@H]1CCCN(c2ccnn2C)C1
214178685	ZINC000278477496	ref	10.37	-12.06	0	316.401	2.819	0	4	6	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)/C=C/c1cccnc1
214178689	ZINC000278476520	ref	7.75	-47.81	1	306.406	2.666	1	3	6	COCCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1
214178694	ZINC000278477079	ref	7.6	-10.66	0	317.418	1.962	2	5	4	O=C(NCc1ncnn1-c1ccccc1)NC1CCSCC1
214178698	ZINC000278476857	ref	6.89	-10.7	0	310.463	3.22	0	4	6	COCCC[C@@H](C)C(=O)N1CCC(c2ncc(C)s2)CC1
214178703	ZINC000278476598	ref	7.7	-11.08	0	320.408	3.273	0	3	4	CC(C)[C@]1(C)C[C@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
214178705	ZINC000278478007	ref	5.87	-14.59	0	301.39	3.037	2	2	3	NC(=O)N1CCc2ccc(NC(=O)CC3CCCCC3)cc21
365625689	ZINC000617391484	low	7.82	-36.93	1	263.341	0.99	0	3	3	Cn1c[nH+]cc1CC(=O)N1CCO[C@](C)(C2CC2)C1
214178709	ZINC000278476929	ref	0.88	-13.99	0	308.304	1.484	3	4	6	CC[C@@H](O)CCNC(=O)N[C@H](c1cnn(C)c1)C(F)(F)F
290623286	ZINC000281973202	ref	4.05	-19.33	0	320.324	1.623	3	4	5	CNC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(F)cc2)n[nH]c1C
214178716	ZINC000278476884	ref	6.61	-42.67	1	307.434	3.04	1	3	7	CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCOC[C@@H]1C
214178720	ZINC000278477029	ref	6.56	-8.45	0	324.427	3.195	0	7	7	CCSc1cc(C(=O)O[C@@H](COC)c2nccs2)ccn1
214178724	ZINC000278477670	ref	9.12	-9.86	0	307.415	3.367	0	4	4	O=C1C[C@@H](CC(=O)N(c2ccsc2)C2CCCCC2)CO1
214178727	ZINC000278478136	ref	3.07	-26.83	0	322.361	1.454	2	5	6	COc1ccc(NC(=O)[C@@H]2CC[C@H](C(N)=O)O2)cc1OC(C)C
214178731	ZINC000278477888	ref	6.4	-18.69	0	304.39	2.466	2	3	7	COCc1cccc(NC(=O)[C@@H](CC2CCC2)NC(C)=O)c1
349533605	ZINC000093232510	high	1.35	-16.4	0	271.386	0.865	1	5	4	Cn1nccc1CN[C@H]1CCC[C@@H](S(C)(=O)=O)C1
197599460	ZINC000290110869	ref	6.43	-8.6	0	289.379	2.649	0	4	6	C=C[C@@](C)(CC)c1nc([C@@H]2CC(=O)N(CC3CC3)C2)no1
214178735	ZINC000278477455	ref	3.78	-13.11	0	314.179	1.641	2	3	6	O=C(COc1ccc(Br)cc1CCO)NC1CC1
185091208	ZINC000096081268	ref	1.08	-14.48	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CC(=O)N3CCO)[nH]n1
214178741	ZINC000278477122	ref	5.0	-10.71	0	313.737	2.453	1	5	5	COC(=O)NCCCC(=O)O[C@H]1COc2cc(Cl)ccc21
365625691	ZINC000623056041	ref	3.21	-49.89	1	316.224	1.715	1	3	1	[NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ncc(Br)s3)C[C@H]21
365625697	ZINC000623055215	ref	1.94	-39.16	1	307.398	1.276	2	4	5	COCCn1cc(NC(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)cn1
365625701	ZINC000623055876	ref	3.95	-55.21	1	324.356	1.904	1	4	3	[NH3+]C[C@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1
197599462	ZINC000290110511	ref	4.79	-11.74	0	277.276	1.827	1	5	5	COC(=O)Cc1occ(C)c1C(=O)NCc1ccoc1
199273218	ZINC000294964406	ref	1.83	-10.53	0	264.329	1.224	3	4	4	CNc1ccc(NC(=O)CNC(=O)C(C)(C)C)cn1
342599732	ZINC000616994896	mid	6.47	-38.57	1	291.395	1.235	2	3	3	Cn1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1=O
342599733	ZINC000616994792	ref	7.2	-83.3	2	269.433	1.565	3	1	6	CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
342599734	ZINC000616994792	mid	7.21	-83.29	2	269.433	1.565	3	1	6	CCC[N@@H+](C)CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
178295349	ZINC000237064966	ref	7.36	-52.98	1	359.47	1.502	1	3	6	C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1
365625706	ZINC000623055163	ref	1.24	-51.54	1	316.361	1.08	4	3	3	C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@H]1CCC[NH2+]C1
214178683	ZINC000053366488	ref	5.27	-15.52	0	333.432	2.066	2	4	10	CCCNC(=O)CN(CCC)CC(=O)Nc1ccccc1C(C)=O
230740763	ZINC000450463331	ref	9.03	-18.01	0	312.373	1.85	1	5	4	Cc1cccc2c1C[C@H](C(=O)NCc1nnc(C)n1C1CC1)O2
342599735	ZINC000616994792	mid	7.26	-83.53	2	269.433	1.565	3	1	6	CCC[NH+](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365625710	ZINC000623055163	high	-0.57	-78.24	0	316.361	1.08	3	3	3	C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCC[NH2+]C1
342599736	ZINC000616994792	mid	7.21	-83.29	2	269.433	1.565	3	1	6	CCC[NH+](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365625716	ZINC000623055925	ref	3.74	-37.53	1	316.224	1.874	1	3	1	O=C(c1ncc(Br)s1)N1CCC12CC[NH2+]CC2
342599737	ZINC000616994792	high	5.01	-37.95	1	269.433	1.565	2	2	6	CCCN(C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365625719	ZINC000623056019	ref	2.81	-45.18	1	313.199	1.584	2	3	5	C[C@@H]([NH3+])CCNC(=O)c1nc(C2CC2)ncc1Br
365625724	ZINC000623055608	ref	7.89	-32.52	1	303.41	1.439	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1
342599738	ZINC000616994792	high	4.96	-37.43	1	269.433	1.565	2	2	6	CCCN(C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599739	ZINC000590835926	ref	5.26	-16.84	0	291.738	1.701	0	5	3	Cn1ncc(N2CC(Oc3ccccc3)C2)c(Cl)c1=O
365625730	ZINC000623055371	ref	5.96	-41.47	1	304.394	1.219	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1
178295351	ZINC000237057716	ref	5.12	-57.34	1	359.451	1.557	1	3	4	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CC[NH2+]CC2)cc1
365625693	ZINC000617390791	ref	3.79	-9.11	0	250.302	0.456	0	5	2	Cn1cc(C(=O)N2CCO[C@@](C)(C3CC3)C2)nn1
282120936	ZINC000251541319	ref	9.05	-87.24	2	330.476	2.025	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1
365625696	ZINC000617390736	ref	6.59	-40.49	1	252.358	0.966	1	2	2	C[N@@H+]1CC[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
230740771	ZINC000425561362	ref	8.59	-9.22	0	300.318	2.379	1	5	4	Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2c([N+](=O)[O-])cnn2C)cc1
178295352	ZINC000237057716	mid	3.88	-13.59	0	359.451	1.557	1	4	4	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCNCC2)cc1
365625698	ZINC000617390736	mid	6.6	-39.06	1	252.358	0.966	1	2	2	C[N@H+]1CC[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365625700	ZINC000617393472	ref	5.43	-16.69	0	284.356	0.119	0	4	5	COCC(=O)N(C)CC(=O)N1CCO[C@](C)(C2CC2)C1
199273219	ZINC000181265074	ref	8.54	-14.45	0	305.418	2.532	0	3	5	COCCOCC(=O)N1CCc2ccc(C(C)(C)C)cc2C1
178295354	ZINC000237060473	ref	3.89	-65.87	1	359.451	1.685	1	3	4	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1
365625703	ZINC000617393462	ref	3.94	-7.59	0	271.382	0.882	1	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@]2(O)CCSC2)CCO1
178295355	ZINC000237056694	ref	3.57	-46.66	1	355.866	1.772	2	4	8	CCOc1c(Cl)cc(C(=O)NCCCN2CC[NH2+]CC2)cc1OC
230740780	ZINC000425559012	ref	5.49	-9.39	0	318.421	2.232	2	4	4	CC(C)(C)O[C@@H]1C[C@H](NC(=O)N[C@@H]2CC23CC3)[C@H]1n1cccn1
365625707	ZINC000617391847	ref	2.14	-11.07	0	254.33	0.525	1	3	3	CC(C)(C(N)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
365625712	ZINC000617393733	ref	2.88	-8.65	0	268.357	0.346	0	4	3	C[C@]1(C2CC2)CN(C(=O)CN2CCOCC2)CCO1
365625714	ZINC000617393317	ref	3.45	-9.86	0	287.323	0.994	1	5	2	C[C@]1(C2CC2)CN(C(=O)c2cnc3n[nH]nc3c2)CCO1
178295357	ZINC000237058489	ref	7.59	-48.36	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@@H]2CCN(c3cc(F)cc(F)c3)C2=O)CC1
365625720	ZINC000617392717	ref	4.83	-44.56	1	293.411	0.404	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2C[N@H+]3CCCN2CC3)CCO1
365625722	ZINC000617392717	mid	4.99	-47.42	1	293.411	0.404	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2C[N@@H+]3CCCN2CC3)CCO1
349533606	ZINC000621228753	ref	4.2	-6.86	0	255.28	2.364	1	2	6	COC[C@@H](C)C(=O)NCC(C)(C)CC(F)(F)F
365625726	ZINC000617392717	high	2.97	-7.52	0	293.411	0.404	0	4	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CN3CCCN2CC3)CCO1
230740774	ZINC000450464185	ref	4.32	-10.47	0	304.39	1.267	2	3	5	CCc1ccc([C@@H](CO)NC(=O)[C@@H]2CCCN(C)C2=O)cc1
365625694	ZINC000336545466	ref	3.94	-14.04	0	296.342	2.377	2	3	2	COc1cc(C)c(NC(=O)N2CC[C@@H](C)[C@@H](O)C2)cc1F
178295358	ZINC000237056853	ref	3.18	-57.47	1	355.504	1.619	3	3	9	CCS(=O)(=O)NCc1ccc(C(=O)N[C@](C)(C[NH3+])CC(C)C)cc1
365625695	ZINC000336544935	ref	8.47	-41.16	1	274.355	2.222	1	1	3	CC1CC[NH+](CC(=O)N2CCC(C(F)F)CC2)CC1
365625699	ZINC000336544935	high	6.28	-8.63	0	274.355	2.222	0	2	3	CC1CCN(CC(=O)N2CCC(C(F)F)CC2)CC1
365625702	ZINC000336545441	ref	4.25	-14.36	0	289.36	2.393	2	4	3	CC(=O)Nc1ccncc1NC(=O)c1csc(C)c1C
365625705	ZINC000336545212	ref	9.82	-9.3	0	256.353	2.417	0	4	3	CCc1ccccc1CN1CCn2cnnc2[C@H]1C
178295360	ZINC000237067967	ref	8.13	-59.46	1	362.386	1.493	1	6	6	CN(C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)C1CC[NH2+]CC1
365625708	ZINC000336545212	low	10.57	-48.28	1	256.353	2.417	1	3	3	CCc1ccccc1C[N@@H+]1CCn2cnnc2[C@H]1C
230740786	ZINC000450466012	ref	5.66	-12.7	0	305.33	1.913	1	5	6	CCc1c(C(=O)N[C@@H](COC)C(=O)OC)oc2ccccc12
282120937	ZINC000251541319	mid	9.93	-86.99	2	330.476	2.025	3	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C1
282120939	ZINC000251541319	high	7.81	-42.83	1	330.476	2.025	2	2	4	CN1CC[C@H](NC(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1c1ccccc1
282120940	ZINC000334779890	ref	5.4	-42.55	1	269.389	1.005	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2COCC2(C)C)C1
398247346	ZINC000651456766	ref	8.42	-10.52	0	299.418	3.303	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC(c2cccnc2)CC1
365625709	ZINC000336545212	low	10.34	-46.15	1	256.353	2.417	1	3	3	CCc1ccccc1C[N@H+]1CCn2cnnc2[C@H]1C
178295361	ZINC000237066921	ref	6.96	-52.45	-1	357.204	1.559	1	4	6	CC(=O)N(C)CC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1
365625713	ZINC000336545483	ref	8.77	-51.33	-1	265.353	2.28	0	3	3	O=C([O-])C[C@@H]1CCCN(C(=O)[C@@H]2CC23CCCC3)C1
168365452	ZINC000368506622	mid	12.01	-91.79	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21
178295363	ZINC000237063966	ref	8.17	-48.99	-1	360.435	1.88	1	5	8	CN(CC(=O)NC[C@H](Cc1ccccc1)C(=O)[O-])C(=O)c1cccs1
178295365	ZINC000237055954	ref	5.47	-66.04	1	359.451	1.685	1	3	4	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)N1CC[C@H]([NH3+])C1
365625715	ZINC000336545370	ref	3.93	-14.2	0	296.392	2.064	1	3	4	CC(=O)Nc1ccc(S(=O)(=O)N(C)[C@H]2CC2(C)C)cc1
214178686	ZINC000337607567	ref	3.61	-16.5	0	284.356	0.69	1	4	6	COC(=O)[C@@]1(C)CN(C(=O)CCCCC(N)=O)C[C@@H]1C
214178692	ZINC000337606506	ref	6.19	-15.1	0	270.279	2.107	0	3	4	O=C(COc1cccnc1)N1CCCC[C@@H]1C(F)F
214178696	ZINC000337609010	ref	1.63	-15.89	0	276.283	0.932	2	3	4	O=C1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2OC(F)F)N1
230740792	ZINC000414357626	ref	6.94	-49.27	1	313.488	3.21	1	3	5	CS(=O)(=O)c1ccc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)s1
210256172	ZINC000265953622	low	4.6	-38.6	1	360.458	0.554	2	4	6	C[C@@H](C(=O)NCCCN1C(=O)COc2ccccc21)[NH+]1CCN(C)CC1
432002781	ZINC000103068741	ref	8.7	-45.13	1	322.33	3.096	2	1	5	C[NH+](C)Cc1cccc(CNC(=O)c2cc(F)c(F)c(F)c2)c1
214178699	ZINC000337610507	ref	5.13	-8.61	0	275.396	2.381	1	3	4	CCC(C)(C)CC(=O)N1CCN[C@H](c2cccnc2)C1
295666653	ZINC000412990231	ref	8.43	-11.14	0	308.407	2.882	0	7	6	CC(C)n1c(S[C@H](C)C(=O)c2ccco2)nnc1N(C)C
178295359	ZINC000304364770	ref	2.64	-13.32	0	247.298	1.932	3	2	3	Cc1cc2cc(NC(=O)N(C)CCO)ccc2[nH]1
398247349	ZINC000356358079	ref	3.18	-102.58	2	200.326	1.128	2	1	8	CO[C@H](C[NH2+][C@H](C)CCC[NH3+])C1CC1
214178702	ZINC000337610507	low	6.39	-50.14	1	275.396	2.381	1	2	4	CCC(C)(C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1
282120943	ZINC000118808972	ref	6.6	-42.22	1	346.475	1.934	2	3	5	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2CN2CCOCC2)C1
282120945	ZINC000118808972	low	8.89	-93.21	2	346.475	1.934	3	2	5	C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2C[NH+]2CCOCC2)C1
214178712	ZINC000337607617	ref	1.72	-21.62	0	272.268	0.041	2	6	3	Cn1cc2c(=NCc3ccc(C(N)=O)o3)ncnc-2[nH]1
282120947	ZINC000424671107	ref	8.11	-47.07	1	256.365	1.925	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H](F)C2)C1
185091209	ZINC000096081268	mid	1.23	-14.62	0	278.312	-0.474	2	4	3	Cc1cc(C(=O)N2CC[C@@H]3[C@H]2CC(=O)N3CCO)n[nH]1
214178715	ZINC000337608992	ref	7.97	-12.36	0	260.362	3.448	1	3	4	CCc1cccnc1NC(=O)[C@H](C)c1ccsc1
282120950	ZINC000335367633	ref	4.43	-49.04	1	275.343	0.641	2	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCNCC2(F)F)C1
214178719	ZINC000337608332	ref	6.59	-8.16	0	290.407	3.383	2	2	7	CCCC1(CNC(=O)NCc2cc(C)cc(OC)c2)CC1
214178723	ZINC000337606244	ref	2.28	-12.06	0	298.343	-0.301	2	6	8	CCN(CCOCCO)C(=O)C(=O)Nc1ccnn1CC
342599740	ZINC000590835728	ref	6.59	-44.98	1	286.379	1.795	3	2	4	C[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)[NH+](C)C
259308885	ZINC000306279062	ref	5.94	-1.55	0	219.662	3.747	1	1	2	Cc1c(Cl)cc(F)c(NC(C)C)c1F
214178687	ZINC000053370416	ref	3.69	-11.11	0	346.814	3.058	2	4	4	O=C(CN1CCO[C@H](c2ccc(Cl)cc2)C1)Nc1ccc(O)cc1
398247350	ZINC000651455145	ref	7.83	-6.33	0	250.386	3.149	1	1	1	C[C@H]1[C@H](C)CCCN1C(=O)NC1CC2(CCC2)C1
398247352	ZINC000651455795	ref	7.78	-7.83	0	289.329	3.444	1	3	2	C[C@@H]1C[C@H](N[C@@H]2CCc3c(F)cc(F)cc32)c2nccn21
398247355	ZINC000651455795	mid	8.9	-47.61	1	289.329	3.444	1	2	2	C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc32)c2nccn21
398247357	ZINC000651456477	ref	8.42	-7.89	0	264.413	3.397	1	1	3	CC(C)C[C@@H]1CCN(C(=O)NC2CC3(CCC3)C2)C1
214178701	ZINC000053373085	ref	3.61	-50.1	1	344.415	0.928	4	3	7	O=C(CC[C@@H]1NC(=O)NC1=O)NC[C@H](c1ccccc1)[NH+]1CCCC1
214178707	ZINC000053359238	ref	8.3	-19.39	0	331.437	3.21	0	3	5	CCN(C(=O)[C@@H](C)S(=O)(=O)c1ccc(C)cc1)c1ccccc1
365625704	ZINC000576569528	ref	1.05	-16.96	0	240.288	0.002	1	5	4	Cn1cc(S(=O)(=O)NCC2(C#N)CC2)cn1
214178718	ZINC000053372961	ref	6.11	-9.99	0	326.396	3.054	0	4	4	O=C(CCc1ncc(-c2ccccc2)o1)N1CCO[C@@H]2CCC[C@H]21
299072469	ZINC000459276509	low	9.41	-37.29	1	315.417	2.66	1	4	4	COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cc1cnc(C2CC2)nc1
342599741	ZINC000590835728	high	4.35	-9.94	0	286.379	1.795	2	3	4	C[C@@H](CNC(=O)N[C@@H]1CCc2cc(C#N)ccc21)N(C)C
178295366	ZINC000123834107	ref	0.87	-14.27	0	247.298	1.98	4	2	4	Cc1cc2cc(NC(=O)NCCCO)ccc2[nH]1
342599742	ZINC000590835297	ref	5.9	-17.61	0	277.368	1.891	1	3	1	C[C@]1(C#N)CCCN(C(=O)N[C@H]2CC23CCOCC3)C1
342599743	ZINC000590836106	ref	5.76	-49.84	1	284.791	1.72	2	4	5	CC[C@H](CNc1cnn(C)c(=O)c1Cl)[NH+]1CCCC1
342599744	ZINC000590836106	high	3.87	-11.46	0	284.791	1.72	1	5	5	CC[C@H](CNc1cnn(C)c(=O)c1Cl)N1CCCC1
197599481	ZINC000290112145	ref	5.44	-11.04	0	267.329	2.57	2	3	4	CSC[C@H](C)NC(=O)Nc1ccc(C#N)c(F)c1
197599483	ZINC000290113671	ref	2.76	-10.43	0	281.352	1.278	2	4	9	COCCOCCC(=O)N[C@@H](C)[C@@H](O)c1ccccc1
342599745	ZINC000590840472	ref	4.92	-16.03	0	285.307	1.808	2	5	4	CCc1noc(NC(=O)N[C@H](C)c2cccc(C#N)c2)n1
342599746	ZINC000590836074	ref	5.25	-7.83	0	290.754	1.866	1	5	1	Cn1ncc(N2CCNc3ccccc3C2)c(Cl)c1=O
342599747	ZINC000590836109	ref	6.67	-19.4	0	289.383	1.686	1	4	3	C[C@H](Cc1cnn(C)c1)NC(=O)N1CCC[C@](C)(C#N)C1
342599748	ZINC000616994767	ref	5.02	-44.25	1	250.346	1.26	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnc[nH]2)C1
230740795	ZINC000414357626	high	6.35	-10.32	0	313.488	3.21	1	4	5	CS(=O)(=O)c1ccc(CN[C@H]2C[C@H]2C2CCCCC2)s1
365625711	ZINC000576568964	ref	-0.23	-18.6	0	249.274	-0.708	2	5	4	NC(=O)Cn1cc(C(=O)N[C@@H]2[C@H]3CCC[C@H]32)nn1
365625718	ZINC000576564615	ref	6.1	-8.46	0	235.318	3.22	1	1	6	C[C@@H](CC(F)F)C(=O)NCCCC(C)(C)C
365625723	ZINC000576568818	ref	5.93	-43.1	1	209.293	1.17	1	3	6	CCO[C@H]1C[C@@H]1[NH2+]Cc1cncn1CC
365625728	ZINC000576568818	mid	4.66	-6.25	0	209.293	1.17	1	4	6	CCO[C@H]1C[C@@H]1NCc1cncn1CC
349533607	ZINC000093256559	ref	2.7	-42.25	1	283.416	0.245	2	3	4	CCC1(CO)CC[NH+](CC(=O)N2CCN(C)CC2)CC1
282120944	ZINC000423041718	ref	8.45	-123.18	2	298.471	2.866	2	2	8	CCC(CC)(C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)OC
365625735	ZINC000175941857	ref	6.85	-14.62	0	244.269	2.665	1	1	1	Cc1[nH]ccc1C(=O)N1CCc2ccc(F)cc21
365625745	ZINC000576565641	ref	9.53	-4.43	0	249.745	2.861	1	2	2	Cn1c(=NCC2(C)CC2)[nH]c2cc(Cl)ccc21
365625752	ZINC000576565641	low	10.01	-27.08	1	249.745	2.861	2	1	2	Cn1c(=[NH+]CC2(C)CC2)[nH]c2cc(Cl)ccc21
365625758	ZINC000576564493	ref	8.36	-32.77	1	241.375	2.744	1	2	7	CCOC(=O)C1(C[NH2+][C@@H](CC)C(C)C)CCC1
365625764	ZINC000175933882	ref	7.3	-9.7	0	228.313	2.878	0	4	4	COC(=O)c1sc(C)cc1OCC(C)C
365625773	ZINC000576566048	ref	3.74	-9.06	0	223.276	0.81	1	4	5	CCO[C@@H]1C[C@H]1NC(=O)c1nccn1CC
365625781	ZINC000576565095	ref	5.77	-14.17	0	206.289	1.985	1	2	4	CC1(C)C[C@]1(C#N)NC(=O)CCC1CC1
365625787	ZINC000576570200	ref	4.11	-52.47	1	231.303	1.131	2	3	1	C[C@@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1[NH3+]
178295367	ZINC000237063479	ref	3.08	-61.15	1	374.466	1.777	3	4	9	COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2ccc3c[nH]nc3c2)cc1
365625792	ZINC000576570200	mid	4.39	-92.12	2	231.303	1.131	2	2	1	C[C@@H]1CN(c2[nH+]cnc3[nH]ccc23)CC[C@@H]1[NH3+]
365625798	ZINC000576564492	ref	8.27	-32.52	1	241.375	2.744	1	2	7	CCOC(=O)C1(C[NH2+][C@H](CC)C(C)C)CCC1
365625805	ZINC000576570198	ref	3.78	-52.25	1	231.303	1.131	2	3	1	C[C@@H]1CN(c2ncnc3[nH]ccc23)CC[C@H]1[NH3+]
365625807	ZINC000576570198	mid	3.76	-92.01	2	231.303	1.131	2	2	1	C[C@@H]1CN(c2[nH+]cnc3[nH]ccc23)CC[C@H]1[NH3+]
259308888	ZINC000306269006	ref	2.44	-8.66	0	201.266	1.377	1	3	1	CC(C)OC(=O)N1CC[C@@H](O)C1(C)C
365625813	ZINC000576569078	ref	8.41	-6.48	0	248.351	3.012	0	4	5	CC(C)Sc1ccc(COn2cccn2)cc1
365625824	ZINC000576568992	ref	7.52	-6.47	0	243.301	3.35	0	3	3	Cc1nc(C(F)F)n(CC2CCC(C)CC2)n1
432002782	ZINC000103068741	high	6.23	-6.9	0	322.33	3.096	1	2	5	CN(C)Cc1cccc(CNC(=O)c2cc(F)c(F)c(F)c2)c1
349533609	ZINC000621226597	ref	4.48	-7.39	0	269.307	2.488	2	2	6	CC[C@H](C)[C@@H](O)C(=O)NCC(C)(C)CC(F)(F)F
214178700	ZINC000293504243	ref	3.39	-10.69	0	350.705	0.861	2	5	5	COC(=O)[C@@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)OC
365625717	ZINC000336545308	ref	3.65	-9.72	0	262.353	2.02	1	3	3	CN1CCN(C(=O)CCC(C)(C)O)c2ccccc21
342084773	ZINC000608936559	ref	7.44	-14.0	0	287.319	1.479	0	5	4	COC(=O)c1ccc(CN(C)C(=O)c2ccn(C)n2)cc1
365625721	ZINC000336544661	ref	7.6	-14.2	0	288.37	2.426	0	4	3	Cc1nnc(CN2CC[C@](C)(c3ccc(F)cc3)C2)n1C
214178710	ZINC000293499897	ref	3.97	-20.1	0	350.375	0.167	2	6	8	CCOC(=O)CN(CC(N)=O)C(=O)c1ccnc(NC(=O)C(C)C)c1
214178717	ZINC000293490802	ref	1.56	-17.53	0	351.378	0.77	3	4	5	O=C(NC[C@H]1CC[C@@H](CO)O1)N[C@H]1CC(=O)N(c2ccccc2F)C1
398247354	ZINC000181783724	ref	4.65	-13.7	0	249.701	2.932	2	2	2	Cc1cc(Cl)c(C(=O)Nc2cn[nH]c2)cc1C
365625725	ZINC000336544661	mid	10.24	-49.94	1	288.37	2.426	1	3	3	Cc1nnc(C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)n1C
398247359	ZINC000356344659	ref	2.47	-38.28	1	244.379	1.112	1	3	9	CCC[C@H](C[NH2+][C@H]1CCN(CCOC)C1)OC
136228703	ZINC000061096954	ref	4.56	-7.97	0	236.29	2.237	2	2	5	C=CCNC(=O)[C@H](C)Nc1ccc(F)c(C)c1
214178721	ZINC000293500762	ref	1.84	-17.0	0	352.334	0.982	2	4	5	CCS(=O)(=O)C[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(F)c1F
214178729	ZINC000293494969	ref	4.75	-18.46	0	355.398	0.879	1	5	4	N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)nc1
214178734	ZINC000293501305	ref	-0.39	-18.73	0	372.443	0.934	3	6	7	CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1
214178739	ZINC000293501305	high	-0.39	-18.73	0	372.443	0.934	3	7	7	CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1
214178745	ZINC000293492474	ref	-0.75	-18.3	0	369.426	0.95	2	8	6	Cc1nc(CN2C[C@@H](F)C[C@H]2CNC(=O)NCc2snnc2C)no1
342084774	ZINC000608934737	ref	9.59	-17.81	0	286.291	1.015	1	6	4	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccccc1-n1cncn1
342084775	ZINC000608936021	ref	7.82	-14.75	0	298.346	1.581	0	5	6	COCCN(Cc1ccc(C#N)cc1)C(=O)c1ccn(C)n1
342084776	ZINC000608936368	ref	5.15	-15.61	0	287.266	1.135	0	5	3	COC(=O)[C@@H]1CCCN1C(=O)c1cnn(C)c1C(F)F
342084777	ZINC000608937787	ref	6.95	-14.41	0	289.335	1.429	1	5	4	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cccnc1N1CCCC1
342088573	ZINC000121364420	low	9.26	-37.2	1	295.346	1.694	1	4	5	Cc1ccn(-c2ccccc2CNC(=O)Cn2cc[nH+]c2)n1
365625727	ZINC000336544661	mid	9.97	-51.46	1	288.37	2.426	1	3	3	Cc1nnc(C[N@H+]2CC[C@](C)(c3ccc(F)cc3)C2)n1C
342599749	ZINC000616994767	mid	4.98	-43.71	1	250.346	1.26	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cnc[nH]2)C1
365625731	ZINC000336544725	ref	5.71	-13.26	0	267.328	2.437	1	2	1	O=C(c1ccc2ccccc2c1)N1C[C@@H](O)C2(CC2)C1
349533610	ZINC000621227583	ref	5.56	-37.06	1	254.296	2.031	2	1	5	C[C@@H](C(=O)NCC(C)(C)CC(F)(F)F)[NH+](C)C
342599750	ZINC000590835169	ref	1.91	-9.3	0	272.717	1.166	1	5	2	O=C1NC2(CCC2)C(=O)N1Cc1nnsc1Cl
299072470	ZINC000354605716	low	1.0	-60.18	1	340.511	0.603	2	4	8	C[C@H]1CCC[C@@H](C)[N@H+]1CCNS(=O)(=O)CCCS(C)(=O)=O
299072476	ZINC000354603948	ref	1.26	-14.09	0	337.401	0.692	2	5	5	COC[C@H](C(N)=O)N(C)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2
323004234	ZINC000566507661	ref	0.7	-41.56	1	241.335	0.145	3	2	5	CC(C)[NH2+]CC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1
230740818	ZINC000450464494	ref	8.96	-14.2	0	304.39	1.923	0	4	5	COC(=O)CN(C(=O)[C@H]1CCN(c2ccccc2)C1)C(C)C
342599751	ZINC000590836241	ref	6.56	-21.09	0	291.282	1.908	1	4	2	COC(=O)c1c(F)ccc(NC(=O)N2CC(C#N)C2)c1C
365625734	ZINC000336545381	ref	7.59	-10.09	0	272.392	2.401	0	2	3	CC(C)N(C)C(=O)CN1Cc2ccccc2C2(CC2)C1
365625738	ZINC000336545381	mid	9.75	-39.9	1	272.392	2.401	1	1	3	CC(C)N(C)C(=O)C[N@@H+]1Cc2ccccc2C2(CC2)C1
365625739	ZINC000336545381	mid	9.76	-39.91	1	272.392	2.401	1	1	3	CC(C)N(C)C(=O)C[N@H+]1Cc2ccccc2C2(CC2)C1
214190541	ZINC000337634360	ref	5.22	-93.51	2	286.445	0.429	4	2	6	C[NH+](C)[C@]1(CNC(=O)NCC[NH+]2CCC2)CCSC1
342599752	ZINC000590835589	ref	7.42	-16.95	0	268.357	1.582	0	4	9	COCCN(CCC#N)C(=O)COCC1CCCC1
349533612	ZINC000621227583	mid	3.18	-7.52	0	254.296	2.031	1	2	5	C[C@@H](C(=O)NCC(C)(C)CC(F)(F)F)N(C)C
342599753	ZINC000590835758	ref	4.75	-44.66	1	297.355	1.206	3	4	7	CCOC(=O)c1ccc(CNC(=O)NC[C@H](C)[NH+](C)C)o1
349533614	ZINC000621228312	ref	5.2	-13.67	0	297.317	2.277	1	3	7	CC(C)(CNC(=O)COC[C@@H]1CCCO1)CC(F)(F)F
178305660	ZINC000072417126	ref	6.31	-11.6	0	229.247	0.526	0	6	2	Cc1cc2nnc(C#N)c(/N=C/N(C)C)n2n1
190492556	ZINC000269412048	ref	5.41	-25.41	0	293.323	1.405	2	4	5	CNC(=O)C(C)(C)CNC(=O)c1cc(C)ccc1[N+](=O)[O-]
365625743	ZINC000336544879	ref	8.6	-9.65	0	253.305	2.484	0	3	1	Cn1cncc1C(=O)N1CCC=Cc2ccccc21
259308891	ZINC000306261228	ref	3.42	-5.7	0	213.306	1.683	1	5	2	Cc1nsc(N[C@@H]2COCC2(C)C)n1
365625747	ZINC000336545014	ref	2.75	-7.89	0	250.729	2.167	1	3	3	CN(Cc1ccc(Cl)cc1C#N)C1CC(O)C1
178305663	ZINC000072417126	mid	6.54	-32.43	1	229.247	0.526	1	5	2	Cc1cc2nnc(C#N)c(/[NH+]=C/N(C)C)n2n1
342084778	ZINC000625348750	ref	2.27	-15.42	0	293.348	1.0	2	4	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)c1c[nH]cn1)CO2
299072471	ZINC000358088145	mid	9.0	-90.36	2	308.47	1.761	3	1	3	CC[NH+]1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C
214178730	ZINC000053364164	ref	6.56	-8.5	0	335.452	1.701	1	6	8	CCCCn1c(=O)[nH]c(=O)c2c1nc(CN(C)CCC(C)C)n2C
214178733	ZINC000053364164	mid	8.67	-52.73	1	335.452	1.701	2	5	8	CCCCn1c(=O)[nH]c(=O)c2c1nc(C[N@H+](C)CCC(C)C)n2C
168365453	ZINC000368506622	mid	11.59	-91.96	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21
398247356	ZINC000097159645	mid	0.83	-11.15	0	224.308	0.722	3	3	4	Cc1n[nH]cc1CNCC(=O)NC(C)(C)C
187169783	ZINC000125111196	ref	-0.54	-10.4	0	258.343	1.27	2	5	5	CO[C@@H](C)c1nc(C)c(C(=O)N[C@@H](C)CO)s1
214178737	ZINC000053364164	mid	8.88	-52.58	1	335.452	1.701	2	5	8	CCCCn1c(=O)[nH]c(=O)c2c1nc(C[N@@H+](C)CCC(C)C)n2C
342084779	ZINC000625348750	high	2.12	-52.61	-1	293.348	1.0	1	4	3	Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)CO2
214178740	ZINC000053361668	ref	5.63	-15.65	0	325.324	2.074	0	6	3	C[C@@H]1Cc2ccccc2N1C(=O)Cn1nc(-c2ccco2)oc1=O
214178744	ZINC000053357462	ref	7.35	-19.78	0	338.411	2.237	1	3	3	O=C1C[C@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CN1C1CC1
214178749	ZINC000053366789	ref	6.75	-45.26	1	329.404	0.734	1	5	4	CN(C(=O)CCn1nnc2ccccc2c1=O)C1CC[NH+](C)CC1
398247358	ZINC000097159482	ref	3.14	-45.72	1	249.289	1.68	3	2	5	Cc1n[nH]cc1C[NH2+]C[C@H](O)c1ccccc1F
398249502	ZINC000390797259	ref	7.32	-37.44	1	219.328	3.312	1	1	6	C/C=C/C[NH2+][C@@H](CC)c1ccc(OC)cc1
214178752	ZINC000053366789	high	4.38	-12.4	0	329.404	0.734	0	6	4	CN1CCC(N(C)C(=O)CCn2nnc3ccccc3c2=O)CC1
214178755	ZINC000053373575	ref	9.5	-18.8	0	342.42	3.153	0	5	4	COc1cc(C#N)ccc1OCC(=O)N1CCc2sccc2[C@@H]1C
214178759	ZINC000053357411	ref	10.79	-15.16	0	344.484	3.558	1	4	4	CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CSc2nc[nH]n2)cc1
342084780	ZINC000625348786	ref	8.58	-95.31	2	292.427	1.54	2	3	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCc2nccn2C1
342084781	ZINC000625348786	mid	8.58	-94.21	2	292.427	1.54	2	3	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCc2nccn2C1
342084782	ZINC000625348786	mid	6.33	-13.16	0	292.427	1.54	2	2	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCc2[nH+]ccn2C1
185091211	ZINC000096080806	ref	5.14	-49.72	1	298.408	1.301	1	3	4	CCS(=O)(=O)N1C[C@H]2C[NH+](Cc3ccc(C)o3)C[C@@H]2C1
185091212	ZINC000096080806	mid	2.57	-11.7	0	298.408	1.301	0	4	4	CCS(=O)(=O)N1C[C@H]2CN(Cc3ccc(C)o3)C[C@@H]2C1
306234544	ZINC000557851048	ref	6.29	-17.58	0	330.432	1.586	1	3	4	Cc1ccc(CCNC(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cn1
342599754	ZINC000590835758	high	2.58	-9.45	0	297.355	1.206	2	5	7	CCOC(=O)c1ccc(CNC(=O)NC[C@H](C)N(C)C)o1
282120946	ZINC000423041718	high	7.63	-39.45	1	298.471	2.866	2	3	8	CCC(CC)(CN[C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)OC
282120948	ZINC000274223792	ref	7.52	-48.32	1	293.411	2.723	1	4	7	CCC(CC)(C[NH2+][C@@H](C)c1cnc(C)nc1C)C(=O)OC
230740815	ZINC000425560890	ref	7.79	-12.23	0	308.378	2.041	0	5	7	CCOC(=O)CCN(C(=O)COc1cccnc1)C(C)(C)C
365625729	ZINC000617390709	ref	3.52	-10.24	0	277.324	0.917	0	5	2	C[C@@]1(C2CC2)CN(C(=O)c2cc3n(n2)CCO3)CCO1
342599755	ZINC000590836026	ref	3.15	-13.15	0	283.393	1.413	0	4	4	Cc1cc(C)cc(OCCN2CCS(=O)(=O)CC2)c1
342599756	ZINC000590835943	ref	6.86	-14.44	0	293.758	1.472	0	6	2	Cn1ncc(N2CCC[C@H](n3ccnc3)C2)c(Cl)c1=O
214178726	ZINC000337609154	ref	1.28	-12.89	0	289.372	0.33	2	5	9	CCOCCOC[C@H](O)CNC(=O)[C@@H]1O[C@H](C)C[C@H]1C
342599757	ZINC000590835943	low	7.57	-47.3	1	293.758	1.472	0	5	2	Cn1ncc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1=O
342599758	ZINC000590835973	ref	2.11	-13.99	0	279.271	1.234	2	4	2	N#Cc1ccc(NC(=O)NC2COCCOC2)cc1F
365625733	ZINC000617390738	ref	6.31	-41.15	1	252.358	0.966	1	2	2	C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
197599508	ZINC000162897590	ref	3.23	-14.09	0	306.156	2.284	1	2	0	C[C@H]1C[S@](=O)c2cc(F)c(Br)cc2NC1=O
214178728	ZINC000337607891	ref	9.87	-17.46	0	279.343	3.237	1	3	4	CCc1cccnc1NC(=O)Cn1ccc2ccccc21
214178732	ZINC000337606395	ref	3.42	-12.18	0	251.273	0.745	1	3	7	CCN(CCOCCO)C(=O)[C@@H]1[C@H](C)C1(F)F
190597637	ZINC000270094841	ref	7.03	-8.16	0	281.425	2.719	1	4	7	CC(C)CSCCNC(=O)c1cncnc1C(C)C
214178736	ZINC000337606743	ref	2.2	-10.47	0	292.326	0.984	1	4	5	CCN1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1
214178738	ZINC000337606743	mid	4.59	-47.04	1	292.326	0.984	2	3	5	CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1
306234545	ZINC000557848906	ref	5.84	-42.52	1	340.493	1.839	1	4	6	Cn1cc(S(=O)(=O)N(CC[NH+]2CCCCCC2)C2CCC2)cn1
259308894	ZINC000517231819	ref	4.62	-39.88	1	237.343	2.123	2	2	7	CCO[C@H](C[NH2+][C@H](C)[C@@H](C)O)c1ccccc1
168365454	ZINC000082403065	mid	-0.76	-44.69	1	166.184	0.441	2	3	2	C[C@@H]([NH3+])Cc1nc2c[nH]oc-2n1
342599759	ZINC000590835260	ref	4.83	-12.36	0	262.288	1.537	1	3	2	Cc1ccncc1CNC(=O)N1CC[C@@](F)(C#N)C1
299072472	ZINC000446120351	ref	8.76	-8.14	0	252.402	3.395	1	1	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)C1CC1
342599760	ZINC000590835664	ref	4.16	-12.41	0	299.352	1.615	2	6	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ncc(OC)s1
168365456	ZINC000082403065	high	-1.35	-37.18	0	166.184	0.441	1	3	2	C[C@@H]([NH3+])Cc1nc2cnoc2[n-]1
299072481	ZINC000163348937	ref	8.6	-9.31	0	302.418	3.381	1	2	4	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)[C@H]1COc2ccccc21
230740832	ZINC000425558053	ref	5.58	-15.29	0	322.449	2.265	1	3	5	C=CCC1(C(=O)N(C)C2CCC(NC(C)=O)CC2)CCOCC1
178295368	ZINC000237063479	high	1.72	-16.27	0	374.466	1.777	3	5	9	COCCNS(=O)(=O)c1ccc(CNCc2ccc3c[nH]nc3c2)cc1
342599761	ZINC000616994897	ref	6.52	-38.13	1	291.395	1.235	2	3	3	Cn1cccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1=O
365625732	ZINC000641592685	ref	4.56	-13.99	0	258.115	1.882	1	2	3	CNC(=O)COc1cccc(C)c1Br
214178742	ZINC000337606743	mid	4.42	-41.72	1	292.326	0.984	2	3	5	CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@H]2OC(F)F)C1
168365457	ZINC000082403065	high	-1.87	-39.88	0	166.184	0.441	1	3	2	C[C@@H]([NH3+])Cc1nc2oncc2[n-]1
342599762	ZINC000616994897	mid	6.56	-38.51	1	291.395	1.235	2	3	3	Cn1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1=O
178295369	ZINC000237057010	ref	2.57	-42.82	1	353.488	1.468	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1
178295371	ZINC000237058315	ref	5.08	-63.61	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NC[C@H]([NH3+])C2CC2)cc1
178295372	ZINC000237063420	ref	4.71	-51.99	1	374.304	1.698	2	3	5	CN(CC(=O)NC[C@@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)s1
214178743	ZINC000337609399	ref	4.41	-20.0	0	297.38	0.796	1	6	8	CCN(CCOCCO)C(=O)Cc1csc2nccn12
178295373	ZINC000237060835	ref	4.15	-80.89	1	355.442	1.146	2	4	5	CN1C(=O)CC[C@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@@H]1c1cnn(C)c1
230744994	ZINC000414375916	mid	6.89	-44.03	1	314.351	3.1	2	1	3	Cc1cc(C[N@@H+]2C[C@H](C(N)=O)CC[C@H]2C)ccc1C(F)(F)F
349533611	ZINC000093256559	mid	0.53	-10.02	0	283.416	0.245	1	4	4	CCC1(CO)CCN(CC(=O)N2CCN(C)CC2)CC1
197599502	ZINC000290112898	ref	-1.32	-14.16	0	299.396	0.221	2	6	4	C[C@@H](O)C(=O)N1CCN(Cc2cnc([C@@H](C)O)s2)CC1
342599763	ZINC000590835299	ref	5.91	-16.96	0	277.368	1.891	1	3	1	C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CC23CCOCC3)C1
214178746	ZINC000278477704	ref	6.52	-40.24	1	311.397	2.202	2	3	10	COC[C@H](C)OC[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CC1
342599764	ZINC000590840447	ref	1.36	-7.68	0	269.389	1.023	2	3	9	CCCCCNC(=O)CN(CC(N)=O)C1CCCC1
230740833	ZINC000450462768	ref	4.63	-10.08	0	321.373	1.578	1	5	7	COc1ccccc1C(=O)CNC(=O)[C@]1(OC(C)C)CCOC1
342599765	ZINC000590840447	mid	3.5	-32.25	1	269.389	1.023	3	2	9	CCCCCNC(=O)C[N@H+](CC(N)=O)C1CCCC1
342599766	ZINC000590840447	mid	3.48	-32.21	1	269.389	1.023	3	2	9	CCCCCNC(=O)C[N@@H+](CC(N)=O)C1CCCC1
342599767	ZINC000590836335	ref	-1.03	-19.02	0	265.313	1.066	4	3	4	C[C@@H](NC(=O)Nc1cccc(C(N)=O)c1)C(C)(C)O
342599768	ZINC000590835371	ref	2.71	-9.28	0	293.323	1.553	2	5	4	COC(=O)[C@@H]1CCC[C@@H]1NC(=O)Nc1ccnc(OC)c1
178295370	ZINC000013542876	ref	0.89	-61.26	-1	241.25	2.206	1	3	0	Cc1cc2cc3c(=O)[n-]c(=O)nc-3[nH]c2cc1C
365625736	ZINC000623056436	ref	4.07	-40.88	1	304.213	1.73	1	3	2	C[NH2+][C@H]1CCCN(C(=O)c2ncc(Br)s2)C1
342599769	ZINC000616994603	ref	5.25	-38.37	1	281.444	1.707	3	1	3	C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
306234546	ZINC000557848906	high	3.83	-10.74	0	340.493	1.839	0	5	6	Cn1cc(S(=O)(=O)N(CCN2CCCCCC2)C2CCC2)cn1
306234547	ZINC000557849918	ref	2.22	-23.02	0	331.459	1.239	1	4	5	Cc1ccccc1CS(=O)(=O)NC[C@H]1CCCS(=O)(=O)C1
323004235	ZINC000566507661	high	-0.51	-11.22	0	241.335	0.145	3	3	5	CC(C)NCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1
365625742	ZINC000623056158	ref	2.55	-51.83	1	310.423	1.375	3	3	4	Cc1ccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)s1
178295375	ZINC000013542876	low	2.71	-15.51	0	241.25	2.206	2	3	0	Cc1cc2cc3c(=O)[nH]c(=O)nc-3[nH]c2cc1C
365625748	ZINC000623056017	ref	3.92	-49.64	1	300.362	1.185	3	3	5	O=C(NCCC[C@H]1CCC[NH2+]1)c1nc2ccccc2c(=O)[nH]1
178295377	ZINC000049341629	ref	4.14	-12.85	0	244.294	2.451	2	2	2	Cc1cc2cc(NC(=O)[C@H]3CCOC3)ccc2[nH]1
365625750	ZINC000623056017	mid	2.86	-72.91	0	300.362	1.185	2	3	5	O=C(NCCC[C@H]1CCC[NH2+]1)c1nc2ccccc2c(=O)[n-]1
342599770	ZINC000616994603	mid	5.2	-37.94	1	281.444	1.707	3	1	3	C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1
342599771	ZINC000616994603	mid	7.41	-81.05	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599772	ZINC000616994603	mid	7.38	-80.77	2	281.444	1.707	3	1	3	C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365625755	ZINC000623055781	ref	5.16	-59.36	1	300.366	1.232	3	4	5	C[NH2+]CCNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
178295374	ZINC000237060835	high	3.7	-20.35	0	355.442	1.146	2	5	5	CN1C(=O)CC[C@H](C(=O)NC[C@@H](N)c2ccccc2)[C@@H]1c1cnn(C)c1
214178747	ZINC000278477704	mid	6.53	-40.04	1	311.397	2.202	2	3	10	COC[C@H](C)OC[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CC1
214178750	ZINC000278477704	high	4.44	-7.2	0	311.397	2.202	1	4	10	COC[C@H](C)OC[C@@H](O)CN(Cc1cccc(F)c1)C1CC1
214178754	ZINC000278476746	ref	3.67	-12.7	0	317.393	1.582	2	5	3	Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@@H]2CCOC[C@H]2C)[nH]n1
214178757	ZINC000278476902	ref	8.55	-14.01	0	320.433	2.967	0	4	8	CCCCCOCC(=O)N1CCC(Oc2ccncc2C)CC1
214178761	ZINC000278476902	mid	9.01	-44.24	1	320.433	2.967	0	3	8	CCCCCOCC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1
214178765	ZINC000278477500	ref	10.48	-11.96	0	316.401	2.819	0	4	6	CCC[C@]1(C(=O)OCC)CCCN1C(=O)/C=C/c1cccnc1
214178769	ZINC000278476880	ref	6.95	-41.68	1	307.434	3.04	1	3	7	CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCOC[C@H]1C
214178773	ZINC000278477604	ref	4.77	-16.72	0	300.366	1.375	2	5	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCN2C2CC2)n[nH]1
214178776	ZINC000278477604	mid	4.87	-18.23	0	300.366	1.375	2	5	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCN2C2CC2)[nH]n1
214178778	ZINC000278477604	mid	6.98	-43.0	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)[nH]n1
342599773	ZINC000616994603	mid	5.25	-38.37	1	281.444	1.707	2	2	3	CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
178295376	ZINC000237056269	ref	5.29	-63.05	1	361.467	1.98	2	3	8	CN(c1ccccc1)S(=O)(=O)c1ccccc1C(=O)NCCCC[NH3+]
214178780	ZINC000278477604	mid	6.52	-47.83	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)[nH]n1
214178782	ZINC000278477604	mid	6.87	-39.22	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)n[nH]1
214178784	ZINC000278477604	mid	6.42	-43.04	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)n[nH]1
178295378	ZINC000237061338	ref	4.98	-68.16	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N[C@H](C[NH3+])C2CC2)c1
178295379	ZINC000237060910	ref	4.82	-58.68	1	361.49	1.353	2	4	5	CN1C(=O)CC[C@H](C(=O)N[C@@H](C[NH3+])C2CCCCC2)[C@@H]1c1cnn(C)c1
214178787	ZINC000278477604	high	4.74	-53.14	-1	300.366	1.375	1	5	4	Cn1ccnc1-c1cc(NC(=O)[C@H]2CCCN2C2CC2)n[n-]1
178305665	ZINC000041053921	ref	6.71	-56.16	1	217.316	2.561	1	2	2	Cc1cc2ncn([C@H](C)[C@H](C)[NH3+])c2cc1C
342599774	ZINC000616994603	mid	5.2	-37.94	1	281.444	1.707	2	2	3	CN1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
349533613	ZINC000621486223	ref	8.47	-8.1	0	297.402	3.491	1	3	4	CC[C@H](NC(=O)c1cnc2n1CCCCC2)c1ccccc1
365625737	ZINC000617390738	mid	6.43	-39.25	1	252.358	0.966	1	2	2	C[N@H+]1CC[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
398247360	ZINC000097159482	low	3.07	-45.19	1	249.289	1.68	3	2	5	Cc1[nH]ncc1C[NH2+]C[C@H](O)c1ccccc1F
365625740	ZINC000617390827	ref	2.24	-8.4	0	254.33	0.525	1	3	4	C[C@@H](CC(N)=O)C(=O)N1CCO[C@@](C)(C2CC2)C1
398247362	ZINC000097159482	high	1.77	-9.0	0	249.289	1.68	3	3	5	Cc1n[nH]cc1CNC[C@H](O)c1ccccc1F
365625746	ZINC000617391913	ref	3.25	-7.91	0	269.341	0.819	0	4	3	CO[C@]1(C(=O)N2CCO[C@@](C)(C3CC3)C2)CCOC1
365625751	ZINC000617393531	ref	5.33	-15.29	0	296.367	0.261	0	4	2	CC(=O)N1CCOC[C@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
365625756	ZINC000617393530	ref	5.04	-15.93	0	296.367	0.261	0	4	2	CC(=O)N1CCOC[C@@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
342599775	ZINC000616994631	ref	6.74	-81.52	2	267.417	1.175	3	1	3	C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1
365625761	ZINC000617393465	ref	4.12	-6.65	0	271.382	0.882	1	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@]2(O)CCSC2)CCO1
342599776	ZINC000616994631	mid	6.73	-80.71	2	267.417	1.175	3	1	3	C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](C(C)(C)C)C2)C1
365625769	ZINC000617391303	ref	4.81	-15.32	0	266.341	0.635	0	3	2	CN1C(=O)CC[C@H]1C(=O)N1CCO[C@@](C)(C2CC2)C1
365625774	ZINC000617392718	ref	5.09	-45.39	1	293.411	0.404	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2C[N@H+]3CCCN2CC3)CCO1
230740861	ZINC000414360042	ref	8.4	-35.37	1	316.449	3.061	2	4	9	CC[NH+](CC)CCOc1ccccc1NCc1cc(C)n(C)n1
365625775	ZINC000617392718	mid	5.29	-47.69	1	293.411	0.404	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2C[N@@H+]3CCCN2CC3)CCO1
365625780	ZINC000617392718	high	3.26	-7.17	0	293.411	0.404	0	4	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CN3CCCN2CC3)CCO1
365625784	ZINC000617391774	ref	5.61	-7.3	0	280.368	0.882	0	3	3	CN(C)C(=O)C1(C(=O)N2CCO[C@](C)(C3CC3)C2)CC1
342599777	ZINC000616994631	mid	6.73	-80.71	2	267.417	1.175	3	1	3	C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)C1
349533617	ZINC000621490370	ref	7.51	-9.01	0	294.439	3.022	1	2	3	CC(C)(C)[C@@H]1C[C@H](NC(=O)N2CC(CC3CC3)C2)CCO1
365625788	ZINC000617390826	ref	2.49	-8.21	0	254.33	0.525	1	3	4	C[C@H](CC(N)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
259308896	ZINC000306288710	ref	7.25	-4.75	0	205.326	3.152	1	2	3	CC#CCNc1cccc(SC)c1C
398247366	ZINC000390752509	ref	1.45	-39.2	1	214.309	0.526	2	2	4	COCC(C)(C)NC(=O)[C@@H]1[NH2+]CC1(C)C
398247361	ZINC000651455499	ref	7.96	-7.25	0	250.386	3.149	1	1	1	C[C@H]1CC[C@@H](C)CN1C(=O)NC1CC2(CCC2)C1
365625741	ZINC000641592595	ref	5.08	-49.21	1	296.383	1.387	0	3	3	CN1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1(C)C
282120949	ZINC000274223792	high	6.73	-8.19	0	293.411	2.723	1	5	7	CCC(CC)(CN[C@@H](C)c1cnc(C)nc1C)C(=O)OC
365625744	ZINC000641592595	low	5.21	-46.57	1	296.383	1.387	1	2	3	C[N@@H+]1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1(C)C
365625749	ZINC000641592595	low	5.08	-49.21	1	296.383	1.387	1	2	3	C[N@H+]1CCN(S(=O)(=O)CC2CC(F)(F)C2)CC1(C)C
178295383	ZINC000040434566	ref	4.89	-4.71	0	215.174	3.375	1	1	1	Cc1cc2cc(OC(F)(F)F)ccc2[nH]1
365625753	ZINC000641592458	ref	5.49	-12.61	0	273.34	1.492	0	6	3	CN(c1ccc(-c2ccnn2C)nn1)[C@H]1CCCOC1
230740858	ZINC000450466351	ref	4.95	-17.08	0	322.409	1.581	1	6	7	CCC(CC)[C@H]1C[C@H](NC(=O)Cn2cc(C(C)=O)nn2)CCO1
365625760	ZINC000641592609	ref	3.55	-44.08	1	289.426	1.166	0	5	2	Cc1cc(S(=O)(=O)N2CCN(C)C(C)(C)C2)sn1
365625763	ZINC000641592609	low	3.46	-44.46	1	289.426	1.166	1	4	2	Cc1cc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)sn1
398247363	ZINC000651456966	ref	8.09	-7.06	0	250.386	3.007	1	1	1	C[C@H]1CCN(C(=O)NC2CC3(CCC3)C2)C[C@H]1C
398247365	ZINC000651457159	ref	8.0	-8.02	0	250.386	3.292	1	1	2	CC[C@@H]1CC[C@H](C)N1C(=O)NC1CC2(CCC2)C1
365625767	ZINC000641592609	low	3.55	-44.08	1	289.426	1.166	1	4	2	Cc1cc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)sn1
282120951	ZINC000192697971	ref	9.73	-44.65	1	346.471	2.923	1	3	7	CCC(CC)(C[NH2+][C@@H](C)C(=O)N1CCCc2ccccc21)C(=O)OC
282120953	ZINC000192697971	high	8.79	-10.34	0	346.471	2.923	1	4	7	CCC(CC)(CN[C@@H](C)C(=O)N1CCCc2ccccc21)C(=O)OC
365625771	ZINC000641592887	ref	2.87	-8.47	0	296.383	1.387	0	3	3	CN1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)CC1(C)C
365625776	ZINC000641592887	low	5.21	-42.54	1	296.383	1.387	1	2	3	C[N@@H+]1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)CC1(C)C
365625779	ZINC000641592887	low	5.09	-43.75	1	296.383	1.387	1	2	3	C[N@H+]1CCN(S(=O)(=O)C[C@H]2CCC2(F)F)CC1(C)C
365625783	ZINC000641592533	ref	4.1	-6.12	0	262.357	1.084	0	5	2	Cc1cncnc1N1C[C@H](N2CCOCC2)C[C@H]1C
178295397	ZINC000352616000	ref	6.98	-12.61	0	242.322	3.461	2	1	3	Cc1cc2cc(NC(=O)C[C@@H]3C[C@@H]3C)ccc2[nH]1
365625786	ZINC000641592533	mid	6.29	-41.92	1	262.357	1.084	1	4	2	Cc1cncnc1N1C[C@H]([NH+]2CCOCC2)C[C@H]1C
365625791	ZINC000641592736	ref	3.11	-8.51	0	262.419	1.532	0	3	5	CCCCCS(=O)(=O)N1CCN(C)C(C)(C)C1
365625795	ZINC000641592736	low	5.3	-41.94	1	262.419	1.532	1	2	5	CCCCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365625754	ZINC000336545014	mid	5.71	-42.17	1	250.729	2.167	2	2	3	C[N@H+](Cc1ccc(Cl)cc1C#N)C1CC(O)C1
365625757	ZINC000336545014	mid	5.73	-41.48	1	250.729	2.167	2	2	3	C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC(O)C1
342599778	ZINC000616994631	mid	6.73	-80.87	2	267.417	1.175	3	1	3	C[NH+]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)C1
342599779	ZINC000590835298	ref	5.91	-16.07	0	277.368	1.891	1	3	1	C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CC23CCOCC3)C1
365625762	ZINC000336544838	ref	3.58	-12.13	0	287.812	2.301	0	3	3	COc1ccc(Cl)c(CN2CC[S@](=O)[C@H](C)C2)c1
349533615	ZINC000093256559	low	5.04	-100.29	2	283.416	0.245	3	2	4	CCC1(CO)CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1
197599524	ZINC000290111314	ref	0.06	-15.21	0	278.234	1.114	3	4	5	C=C[C@H](CO)NC(=O)Nc1cnn(CC(F)(F)F)c1
365625766	ZINC000336545258	ref	6.56	-18.27	0	281.396	2.411	0	3	3	CN(C[C@H]1CCCOC1)C(=O)[C@H]1CCCCCC(=O)C1
342599780	ZINC000616994763	ref	5.24	-38.14	1	264.373	1.27	2	3	3	Cn1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1
365625770	ZINC000336544615	ref	5.02	-8.45	0	279.336	2.139	0	4	3	COC1(C(=O)N2CCO[C@@H](c3ccco3)C2)CCCC1
365638896	ZINC000625083936	low	7.37	-60.47	1	317.364	2.09	3	2	4	CC(=O)N[C@H]1CCC[N@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C1
365638899	ZINC000625083936	low	6.83	-61.51	1	317.364	2.09	3	2	4	CC(=O)N[C@H]1CCC[N@@H+](CC(=O)c2c[nH]c3ccc(F)cc23)C1
342599781	ZINC000616994763	mid	5.25	-38.66	1	264.373	1.27	2	3	3	Cn1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1
365638901	ZINC000625087708	ref	7.1	-16.57	0	312.454	2.202	1	3	8	CCCC(=O)NC[C@H]1CCCN(C(=O)[C@@H](OCC)C(C)C)C1
365638904	ZINC000625083763	ref	8.05	-10.89	0	322.453	2.443	0	6	7	CC[C@@H](C)c1nnc(N(C)CC2(C)COC2)n1C[C@@H]1CCCO1
342599782	ZINC000616994889	ref	4.48	-36.42	1	267.398	1.993	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cscn2)C1
365638906	ZINC000625088226	ref	4.78	-10.13	0	311.394	2.299	1	3	7	CCO[C@@H](CS(=O)(=O)N[C@H]1CCCC(F)(F)C1)C1CC1
365638909	ZINC000625088809	ref	5.27	-10.46	0	310.36	2.146	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@H+](CC)C[C@H]1CCOC1
342599783	ZINC000616994889	mid	4.45	-35.98	1	267.398	1.993	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cscn2)C1
178305667	ZINC000041053921	low	7.18	-103.32	2	217.316	2.561	1	1	2	Cc1cc2[nH+]cn([C@H](C)[C@H](C)[NH3+])c2cc1C
349533618	ZINC000093230553	ref	3.21	-50.05	1	253.258	0.817	2	4	6	Cc1ccc(NC(=O)COCC[NH3+])cc1[N+](=O)[O-]
259308898	ZINC000306302535	ref	7.11	-37.96	1	219.328	2.734	1	1	5	CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1
365638912	ZINC000625088809	mid	7.25	-41.67	1	310.36	2.146	1	2	8	CCCN(CC(F)(F)F)C(=O)C[N@@H+](CC)C[C@H]1CCOC1
178295381	ZINC000237062215	ref	2.48	-54.41	1	354.476	1.069	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1
365625759	ZINC000623056123	ref	4.75	-59.82	1	314.393	1.75	3	4	5	C[C@H]([NH3+])CCNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365625765	ZINC000623056266	ref	2.43	-57.22	1	309.366	1.525	2	4	5	COc1cc(NC(=O)N2CC[C@H](C[NH3+])C2)cc(OC)c1OC
365625768	ZINC000623056020	ref	2.81	-45.22	1	313.199	1.584	2	3	5	C[C@H]([NH3+])CCNC(=O)c1nc(C2CC2)ncc1Br
365625772	ZINC000623056477	ref	5.67	-46.14	1	319.796	1.475	2	4	4	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@H]1CC[NH2+]C1
365625777	ZINC000623055611	ref	8.22	-32.28	1	303.41	1.439	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1
178295382	ZINC000237057236	ref	2.7	-58.26	1	353.488	1.325	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1
343994610	ZINC000079940892	ref	5.43	-11.57	0	285.347	2.47	2	3	3	COc1ccc(NC(=O)[C@H]2CCc3c[nH]nc3C2)c(C)c1
365625782	ZINC000623055877	ref	3.95	-55.24	1	324.356	1.904	1	4	3	[NH3+]C[C@@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1
365625785	ZINC000623056042	ref	3.28	-47.97	1	316.224	1.715	1	3	1	[NH3+][C@@H]1CC[C@@H]2CN(C(=O)c3ncc(Br)s3)C[C@@H]21
178295385	ZINC000237058760	ref	3.23	-51.05	1	367.515	1.763	3	3	8	CCS(=O)(=O)NCc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)cc1
365625789	ZINC000623055701	ref	2.04	-58.32	1	323.418	1.291	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3[C@@H]([NH3+])CC[C@H]3C2)cc1
178295386	ZINC000237063172	ref	4.31	-59.97	1	354.472	1.459	1	4	7	C[NH2+]C1CCN(C(=O)CCCOc2ccc(S(C)(=O)=O)cc2)CC1
365625794	ZINC000623056426	ref	2.57	-47.04	1	323.418	1.45	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2CCC23CC[NH2+]CC3)cc1
365625799	ZINC000623055164	ref	2.97	-62.94	1	313.361	1.723	3	3	2	Cc1nc(-c2ccc(NC(=O)N3CC[C@H]([NH3+])C3)cc2)cc(=O)[nH]1
365625803	ZINC000623055164	high	1.87	-90.61	0	313.361	1.723	2	3	2	Cc1nc(-c2ccc(NC(=O)N3CC[C@H]([NH3+])C3)cc2)cc(=O)[n-]1
365625808	ZINC000623055679	ref	2.98	-46.85	1	316.361	1.033	3	3	3	C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1
365625812	ZINC000623055679	high	1.17	-72.71	0	316.361	1.033	2	3	3	C[NH2+]C[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1
214178748	ZINC000337610234	ref	2.78	-13.87	0	294.351	2.313	2	4	4	COc1cc(NC(=O)N[C@@H]2CCCOC2)c(C)c(OC)c1
398247364	ZINC000356343442	ref	6.73	-37.02	1	201.354	2.827	1	1	9	CCC[C@H](C)C[NH2+]C[C@H](CCC)OC
349533616	ZINC000621228852	ref	5.91	-8.79	0	266.316	2.093	1	2	5	CCC(=O)N[C@H](C)C(=O)N(CC)c1ccccc1F
365625778	ZINC000274331193	ref	3.44	-9.11	0	298.364	1.42	1	6	6	COC(=O)C1(C(=O)NCc2csc([C@H](C)OC)n2)CC1
342599784	ZINC000590835483	ref	6.68	-11.65	0	281.352	1.357	0	4	3	COC(=O)[C@@H]1CN(C(=O)C2(C3CCC3)CCC2)CCO1
365625790	ZINC000274329916	ref	5.77	-55.05	1	298.387	1.779	3	3	4	C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(F)n2)CCSC1
365625796	ZINC000274329916	high	3.71	-16.21	0	298.387	1.779	2	4	4	CN(C)[C@@]1(CNC(=O)Nc2cccc(F)n2)CCSC1
365625802	ZINC000274328356	ref	7.67	-7.52	0	250.298	1.817	0	5	4	CCn1cc(C(=O)C(=O)O[C@H]2CC[C@@H](C)C2)cn1
365625810	ZINC000274328664	ref	7.89	-43.29	1	289.383	1.959	2	3	2	O=C(Nc1cncnc1)N1CCC[N@@H+](C2CCCC2)CC1
365625815	ZINC000274328664	mid	7.95	-43.98	1	289.383	1.959	2	3	2	O=C(Nc1cncnc1)N1CCC[N@H+](C2CCCC2)CC1
365625819	ZINC000274328664	high	6.11	-10.17	0	289.383	1.959	1	4	2	O=C(Nc1cncnc1)N1CCCN(C2CCCC2)CC1
342599785	ZINC000590835745	ref	5.33	-45.91	1	278.331	1.447	3	2	5	C[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)[NH+](C)C
365625823	ZINC000274328313	ref	1.89	-12.36	0	294.399	1.706	4	3	7	Cc1n[nH]cc1CNC(=O)NCC1([C@@H](C)CCO)CCC1
342599786	ZINC000590835745	high	3.09	-10.31	0	278.331	1.447	2	3	5	C[C@@H](CNC(=O)NCc1ccc(C#N)cc1F)N(C)C
293080583	ZINC000425062169	high	4.35	-8.99	0	268.401	1.458	0	3	4	COC[C@H](C)[C@H](C)C(=O)N1CCC[C@H]2CN(C)C[C@H]21
365625831	ZINC000274328313	mid	1.83	-12.01	0	294.399	1.706	4	3	7	Cc1[nH]ncc1CNC(=O)NCC1([C@@H](C)CCO)CCC1
365625834	ZINC000274327880	ref	3.94	-10.47	0	278.23	1.547	2	3	4	COC(=O)[C@@H](CC(F)(F)F)NC(=O)c1cc[nH]c1C
365625839	ZINC000274328249	ref	2.07	-13.74	0	287.323	1.32	2	6	4	COc1cc2c(cc1NCc1cnnn1C)NC(=O)CC2
365625844	ZINC000274328610	ref	3.37	-11.15	0	250.302	1.509	1	4	2	COC1(C)CCN(C(=O)Nc2cncnc2)CC1
365625849	ZINC000637720893	ref	4.69	-10.09	0	268.357	1.073	1	3	3	CC(=O)NC[C@H]1CCCCN1C(=O)[C@@]1(C)CCCO1
365625852	ZINC000274331898	ref	4.42	-10.56	0	292.335	1.943	2	5	5	CCOC(=O)[C@H](C)Nc1cc2c(cc1OC)CCC(=O)N2
365625858	ZINC000274330929	ref	0.81	-10.61	0	280.221	1.392	3	2	5	O=C(NCc1ccc(F)cc1F)NCC(F)(F)CO
259308901	ZINC000037861120	ref	1.32	-11.46	0	228.292	-0.304	1	3	3	CC(=O)N1CCC[C@@H](C(=O)N(C)CCO)C1
343995030	ZINC000625565447	ref	9.06	-32.63	1	219.303	3.118	1	0	2	Cc1ccc(C[N@@H+]2CC3CC2(C)C3)cc1F
365625863	ZINC000274331290	ref	5.85	-47.59	1	261.329	1.179	2	3	1	O=C(Nc1cncnc1)N1CC[N@@H+]2CCCC[C@H]2C1
398247367	ZINC000181784918	ref	5.24	-8.62	0	242.363	2.243	1	2	4	CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCCOCC1
365625793	ZINC000617391276	ref	0.42	-9.14	0	255.318	0.071	2	3	3	C[C@H](NC(N)=O)C(=O)N1CCO[C@@](C)(C2CC2)C1
230740908	ZINC000450463706	ref	8.04	-18.3	0	314.389	1.867	1	5	4	Cc1cccc2c1C[C@@H](C(=O)NCc1nnc(C(C)C)n1C)O2
365625797	ZINC000617393803	ref	3.74	-45.91	-1	296.396	0.572	0	5	3	CN=c1[n-]nc(CC(=O)N2CCO[C@](C)(C3CC3)C2)s1
365625801	ZINC000617393803	low	3.84	-12.25	0	296.396	0.572	1	5	3	CN=c1[nH]nc(CC(=O)N2CCO[C@](C)(C3CC3)C2)s1
365625806	ZINC000617391302	ref	5.49	-15.81	0	266.341	0.635	0	3	2	CN1C(=O)CC[C@@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
214178753	ZINC000293505840	ref	0.22	-27.08	0	360.37	0.463	3	7	7	C[C@H](C(=O)Nc1cnn(CC(=O)NCCO)c1)c1ccc2c(c1)OCO2
365625811	ZINC000617393417	ref	3.61	-14.67	0	266.341	0.683	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@@H]2CCCC(=O)N2)CCO1
365625816	ZINC000617393245	ref	6.83	-13.14	0	264.329	0.867	0	5	3	C[C@H](C(=O)N1CCO[C@@](C)(C2CC2)C1)n1cncn1
365625820	ZINC000617391911	ref	3.06	-6.41	0	269.341	0.819	0	4	3	CO[C@@]1(C(=O)N2CCO[C@@](C)(C3CC3)C2)CCOC1
365625825	ZINC000617390825	ref	2.27	-10.73	0	254.33	0.525	1	3	4	C[C@H](CC(N)=O)C(=O)N1CCO[C@@](C)(C2CC2)C1
365625828	ZINC000617391301	ref	5.06	-15.32	0	266.341	0.635	0	3	2	CN1C(=O)CC[C@H]1C(=O)N1CCO[C@](C)(C2CC2)C1
230740926	ZINC000450462502	ref	5.0	-17.49	0	316.321	1.154	2	7	4	O=c1[nH]ccnc1N1CCC[C@@H](Nc2ccc([N+](=O)[O-])nc2)C1
365638913	ZINC000274370981	high	6.65	-43.71	-1	288.307	1.553	1	5	6	CC(=O)OCCCc1cccc(NC(=O)c2nc[n-]n2)c1
365638915	ZINC000274370648	ref	2.06	-45.51	1	296.411	1.116	2	4	12	CCN(CCO)CC[NH2+]Cc1ccc(OCCOC)cc1
365638919	ZINC000274370648	low	4.15	-117.2	2	296.411	1.116	3	3	12	CC[N@H+](CCO)CC[NH2+]Cc1ccc(OCCOC)cc1
282120952	ZINC000335367633	mid	5.68	-102.61	2	275.343	0.641	2	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+]CC2(F)F)C1
365638922	ZINC000274370648	low	4.17	-119.79	2	296.411	1.116	3	3	12	CC[N@@H+](CCO)CC[NH2+]Cc1ccc(OCCOC)cc1
365638925	ZINC000274367696	ref	5.87	-20.98	0	297.376	1.103	0	4	7	C[C@@H](C[S@@](C)=O)N(C)C(=O)COc1ccc(C=O)cc1
365638928	ZINC000274370745	ref	1.8	-11.36	0	266.345	1.021	3	3	4	Cc1n[nH]cc1CNC(=O)N(C)C[C@H]1CCC[C@H]1O
365638929	ZINC000274370745	mid	1.75	-11.1	0	266.345	1.021	3	3	4	Cc1[nH]ncc1CNC(=O)N(C)C[C@H]1CCC[C@H]1O
365638933	ZINC000274369406	ref	4.09	-51.75	1	281.385	1.035	3	4	4	C[NH+](C)[C@@]1(CNC(=O)Nc2cncnc2)CCSC1
365638935	ZINC000274369406	high	2.19	-10.07	0	281.385	1.035	2	5	4	CN(C)[C@@]1(CNC(=O)Nc2cncnc2)CCSC1
365625800	ZINC000641592736	low	5.15	-44.02	1	262.419	1.532	1	2	5	CCCCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
295666654	ZINC000412988499	ref	7.5	-20.68	0	324.427	2.965	0	7	5	COC(=O)c1cc(CSc2nc(=O)ccn2C(C)C)cs1
365625804	ZINC000479762180	ref	2.71	-51.72	1	282.409	1.968	2	2	5	CC[C@@H](C)c1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1
365625809	ZINC000641592573	ref	4.42	-46.51	1	292.445	1.015	0	4	6	CCOC[C@@H](C)CS(=O)(=O)N1CCN(C)C(C)(C)C1
365625814	ZINC000641592573	low	4.55	-44.12	1	292.445	1.015	1	3	6	CCOC[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365625817	ZINC000641592573	low	4.42	-46.51	1	292.445	1.015	1	3	6	CCOC[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365625821	ZINC000641592518	ref	2.89	-13.39	0	289.36	1.559	1	4	5	O=S(=O)(NC[C@@H]1C[C@H]1c1cccnc1)c1ccccn1
365625827	ZINC000641592518	high	2.51	-50.91	-1	289.36	1.559	0	4	5	O=S(=O)([N-]C[C@@H]1C[C@H]1c1cccnc1)c1ccccn1
365625830	ZINC000641592886	ref	2.87	-8.48	0	296.383	1.387	0	3	3	CN1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1(C)C
365625836	ZINC000641592886	low	5.21	-42.36	1	296.383	1.387	1	2	3	C[N@@H+]1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1(C)C
365625838	ZINC000641592886	low	5.09	-43.43	1	296.383	1.387	1	2	3	C[N@H+]1CCN(S(=O)(=O)C[C@@H]2CCC2(F)F)CC1(C)C
365625840	ZINC000641592444	ref	5.15	-6.33	0	275.352	1.738	0	5	3	c1nc(C2CC2)cc(N2CCOC[C@H]2[C@H]2CCCO2)n1
365625843	ZINC000641592344	ref	8.3	-9.27	0	255.325	1.977	1	5	3	c1nc(N[C@@H]2CCc3cncn3C2)cc(C2CC2)n1
349533619	ZINC000621228346	ref	5.19	-13.09	0	277.29	2.057	1	3	5	Cn1cc(CC(=O)NCC(C)(C)CC(F)(F)F)cn1
365625846	ZINC000641592344	mid	8.81	-37.77	1	255.325	1.977	1	4	3	c1nc(N[C@@H]2CCc3c[nH+]cn3C2)cc(C2CC2)n1
342599787	ZINC000590836090	ref	6.15	-43.18	1	288.395	1.504	2	3	4	C[NH+](C)C1CCN(c2ccc(C(=O)NC3CC3)cn2)CC1
342600651	ZINC000590862255	ref	5.91	-38.3	1	297.443	1.662	3	2	4	CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
197599538	ZINC000162909140	ref	4.17	-14.76	0	309.728	2.422	1	4	4	CNC(=O)Cc1noc([C@@H]2C[C@@H]2c2c(F)cccc2Cl)n1
365625848	ZINC000641592381	ref	2.49	-8.72	0	298.408	1.6	1	4	5	CCNS(=O)(=O)c1ccccc1N(C)[C@@H]1CCCOC1
199273220	ZINC000294964793	ref	4.18	-10.59	0	276.258	2.142	0	3	4	Cc1ccoc1CN1CC(=O)N(CCC(F)(F)F)C1
398247368	ZINC000390752509	high	-0.17	-6.79	0	214.309	0.526	2	3	4	COCC(C)(C)NC(=O)[C@@H]1NCC1(C)C
342600652	ZINC000590862255	mid	3.9	-8.82	0	297.443	1.662	2	3	4	CC[C@H](C)[C@H](C)NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
342600653	ZINC000590862063	ref	5.94	-38.89	1	295.427	1.273	3	2	4	C[C@H](CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1
365625818	ZINC000623055700	ref	1.81	-60.84	1	323.418	1.291	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1
342084783	ZINC000625348786	mid	8.58	-94.21	2	292.427	1.54	2	2	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@H]1CCc2[nH+]ccn2C1
168365459	ZINC000041053833	ref	2.02	-45.24	1	193.294	1.249	1	2	4	C[C@@H]([NH3+])[C@@H](C)N(C)Cc1ccncc1
230740946	ZINC000450461669	ref	9.03	-14.59	0	317.385	1.822	0	4	7	C=C[C@@H]1OCC[C@H]1C(=O)N(CCc1ccccc1)CC(=O)OC
365625822	ZINC000623055778	ref	3.57	-46.77	1	312.345	1.823	2	4	6	CC[NH2+]CCNC(=O)c1nnc(-c2c(F)cccc2F)s1
365625826	ZINC000623056482	ref	4.03	-44.61	1	304.213	1.587	1	3	3	C[NH2+]C[C@@H]1CCN(C(=O)c2ncc(Br)s2)C1
342084784	ZINC000625348786	high	6.33	-13.16	0	292.427	1.54	1	4	5	CN(CC(=O)NCC(C)(C)C)C[C@H]1CCc2nccn2C1
342084785	ZINC000608942345	ref	4.53	-12.06	0	279.321	1.126	1	6	4	COC(=O)[C@@H](NC(=O)c1ccn(C)n1)c1cccs1
365625829	ZINC000623056341	ref	5.55	-46.29	1	307.785	1.475	2	4	6	CC[NH2+]CCNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
230740955	ZINC000450464965	ref	4.9	-22.44	0	308.353	1.598	2	3	5	CC[C@H](O)CC(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O
342084786	ZINC000608942908	ref	6.87	-11.17	0	267.247	1.596	0	3	5	CCN(CCC(F)(F)F)C(=O)[C@H]1C[C@H]1C(=O)OC
230740957	ZINC000450462616	ref	7.47	-15.34	0	314.426	1.585	1	4	9	COC(=O)CN(C(=O)C[C@@H](CNC(C)=O)CC(C)C)C(C)C
365625833	ZINC000623056135	ref	6.09	-43.83	1	319.796	1.617	2	4	4	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@@H]1CCC[NH2+]1
365625835	ZINC000623056133	ref	4.25	-66.11	1	300.366	1.36	3	4	4	C[C@@H]([NH3+])CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
342084787	ZINC000608941535	ref	4.12	-14.54	0	256.265	1.553	1	5	3	COc1ccc(C#N)cc1NC(=O)c1ccn(C)n1
230740963	ZINC000450464182	ref	4.31	-10.56	0	304.39	1.267	2	3	5	CCc1ccc([C@H](CO)NC(=O)[C@H]2CCCN(C)C2=O)cc1
342084788	ZINC000608941670	ref	6.68	-25.92	0	290.319	1.417	1	4	4	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(N(C)C(C)=O)cc1
342084789	ZINC000625348749	ref	2.11	-15.05	0	293.348	1.0	2	4	3	Cc1cccc2c1C[C@H](NS(=O)(=O)c1c[nH]cn1)CO2
365625837	ZINC000623056236	ref	6.42	-93.59	2	302.422	1.949	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2C[C@H]3[C@@H]([NH3+])CC[C@H]3C2)c1
342084790	ZINC000625348749	high	2.09	-53.15	-1	293.348	1.0	1	4	3	Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1c[nH]cn1)CO2
342088574	ZINC000121344120	ref	6.9	-16.94	0	253.346	1.286	1	4	9	CCCCCOCC(=O)NCCc1cncn1C
178305669	ZINC000019515202	ref	5.72	-15.36	0	246.314	2.18	2	4	4	Cc1cc2ncn(CCC/C(N)=N/O)c2cc1C
365625841	ZINC000623056236	high	3.95	-49.36	1	302.422	1.949	2	2	3	CN(C)Cc1cccc(NC(=O)N2C[C@H]3[C@@H]([NH3+])CC[C@H]3C2)c1
365625842	ZINC000623056122	ref	4.75	-58.44	1	314.393	1.75	3	4	5	C[C@@H]([NH3+])CCNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
214178756	ZINC000337606430	ref	6.02	-9.9	0	296.317	2.063	1	2	4	O=C(NCC(=O)N1CCCC[C@H]1C(F)F)c1ccccc1
365625845	ZINC000623056392	ref	3.34	-55.57	1	315.377	1.889	4	3	6	CC[NH2+]CCNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
365625847	ZINC000623056392	high	2.24	-81.9	0	315.377	1.889	3	3	6	CC[NH2+]CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
365625851	ZINC000623055610	ref	7.8	-38.65	1	303.41	1.439	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1
214178760	ZINC000337606374	ref	5.98	-24.96	0	257.293	2.427	2	3	4	CCc1cccnc1NC(=O)c1cc(C(C)=O)c[nH]1
199273221	ZINC000181264179	ref	4.12	-12.77	0	303.362	1.763	2	4	10	O=C(NCCCOCCOCc1ccccc1)c1cn[nH]c1
365625854	ZINC000623055254	ref	3.27	-55.74	1	310.329	1.656	1	4	2	[NH3+][C@H]1CCN(C(=O)c2nnc(-c3c(F)cccc3F)s2)C1
365625856	ZINC000623056485	ref	4.33	-52.06	1	323.393	1.786	2	4	6	C[NH2+]C[C@@H]1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1
365625859	ZINC000623055640	ref	2.46	-43.42	1	304.213	1.635	2	3	3	O=C(NC[C@@H]1CCC[NH2+]C1)c1ncc(Br)s1
214178763	ZINC000337606584	ref	3.1	-8.87	0	264.354	0.973	2	6	5	CSC[C@](C)(O)CNc1ncnc2ccncc12
214178767	ZINC000337607517	ref	4.16	-20.93	0	292.335	0.952	1	4	5	COc1cccc(N2C[C@H](NC(=O)[C@@H](C)OC)CC2=O)c1
365625860	ZINC000623055236	ref	6.82	-53.64	1	318.421	1.705	2	2	4	CC(C)c1ccccc1NC(=O)N(C)CC(=O)N1CC[NH2+]CC1
349533620	ZINC000618812299	ref	7.12	-21.44	0	272.352	1.633	0	4	4	Cc1ccc(C)c(CC(=O)N(C)Cc2cn(C)nn2)c1
197599531	ZINC000290110780	ref	5.38	-11.71	0	298.346	3.167	1	5	3	CC1(C)CC[C@H](c2nc(Cc3c[nH]c4ncccc34)no2)O1
365625864	ZINC000623055236	mid	5.53	-15.57	0	318.421	1.705	2	3	4	CC(C)c1ccccc1NC(=O)N(C)CC(=O)N1CCNCC1
365625867	ZINC000623055684	ref	5.66	-66.43	1	312.377	1.456	2	4	2	[NH3+][C@H]1CCN(C(=O)Nc2cccc(-c3nnc4n3CCC4)c2)C1
349533624	ZINC000618812464	ref	6.35	-11.7	0	278.743	1.67	0	4	4	CN(Cc1cn(C)nn1)C(=O)Cc1ccccc1Cl
299072473	ZINC000358088145	mid	6.99	-45.19	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)C[C@@H]1C
365625870	ZINC000623055754	ref	4.11	-43.04	1	324.356	1.965	2	4	4	O=C(NC[C@@H]1CCC[NH2+]1)c1nnc(-c2c(F)cccc2F)s1
178295389	ZINC000237064011	ref	9.23	-50.91	1	373.497	1.762	1	3	6	C[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)COc3ccccc3)C2)CC1
178295392	ZINC000237064041	ref	9.32	-49.2	1	357.498	1.926	1	2	5	C[NH2+]CC1CCN(C(=O)[C@H]2CCCN(C(=O)Cc3ccccc3)C2)CC1
365625850	ZINC000175938850	ref	8.13	-7.52	0	248.37	2.472	1	1	3	CC1(C)[C@H]2CN(C(=O)NC(C3CC3)C3CC3)C[C@H]21
365625855	ZINC000576569612	ref	3.37	-46.63	1	239.363	1.474	3	1	3	C[C@H]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1
178295396	ZINC000237060050	ref	2.33	-57.94	1	355.485	1.666	2	5	9	COCCNS(=O)(=O)c1ccc(C[NH2+]Cc2cnc(C)s2)cc1
178295398	ZINC000237060050	mid	0.95	-12.2	0	355.485	1.666	2	6	9	COCCNS(=O)(=O)c1ccc(CNCc2cnc(C)s2)cc1
178295400	ZINC000237058492	ref	5.29	-57.22	1	373.478	1.993	2	3	5	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)cc1
178295402	ZINC000237060941	ref	7.85	-62.53	1	360.437	1.362	1	5	6	C[NH2+]CC1CCN(C(=O)[C@H](Cc2ccc(F)cc2)n2nnnc2C)CC1
349533621	ZINC000093256907	ref	4.09	-9.53	0	291.37	0.958	0	3	2	CN1CCN(C(=O)CN2CCc3cccc(F)c3C2)CC1
190492563	ZINC000269409158	ref	7.52	-9.87	0	260.381	3.466	0	2	2	CC(C)c1ccc(C(=O)N2CCC[C@H](C)[C@@H]2C)cn1
178295405	ZINC000237060076	ref	6.02	-55.29	1	356.474	1.849	2	5	8	CN(CCCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1
365625861	ZINC000576566708	ref	0.07	-49.28	1	249.299	0.374	2	5	4	Cc1nnsc1CNc1cc[nH+]cc1C(N)=O
178295407	ZINC000237064438	ref	4.28	-64.8	1	355.442	1.146	2	4	5	CN1C(=O)CC[C@H](C(=O)NC[C@@H]([NH3+])c2ccccc2)[C@H]1c1cnn(C)c1
365625865	ZINC000576566708	mid	-0.39	-12.25	0	249.299	0.374	2	6	4	Cc1nnsc1CNc1ccncc1C(N)=O
342599788	ZINC000616995404	ref	6.07	-40.35	1	278.4	1.753	2	3	4	CCn1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
365625869	ZINC000576570018	ref	-0.86	-44.55	1	241.291	-1.217	3	3	6	C=C(C)COCCNC(=O)C(=O)NC1C[NH2+]C1
178295411	ZINC000237064438	high	3.83	-12.53	0	355.442	1.146	2	5	5	CN1C(=O)CC[C@H](C(=O)NC[C@@H](N)c2ccccc2)[C@H]1c1cnn(C)c1
214190545	ZINC000337634360	mid	2.03	-44.98	1	286.445	0.429	3	3	6	C[NH+](C)[C@]1(CNC(=O)NCCN2CCC2)CCSC1
365625877	ZINC000576570018	high	-2.51	-7.18	0	241.291	-1.217	3	4	6	C=C(C)COCCNC(=O)C(=O)NC1CNC1
168365460	ZINC000041053833	low	3.91	-120.04	2	193.294	1.249	2	1	4	C[C@@H]([NH3+])[C@@H](C)[N@H+](C)Cc1ccncc1
365625881	ZINC000576564239	ref	5.63	-7.85	0	239.275	0.621	0	6	5	COCc1cc(N(C)[C@H](C)C(=O)OC)ncn1
342599789	ZINC000616995404	mid	6.01	-39.91	1	278.4	1.753	2	3	4	CCn1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
342599790	ZINC000590837044	ref	5.18	-16.6	0	265.357	1.747	1	3	1	CC1(C)COC[C@H]1NC(=O)N1CCC[C@](C)(C#N)C1
342599791	ZINC000616995371	ref	5.09	-36.72	1	278.4	1.877	3	2	3	Cc1[nH]nc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C
230740981	ZINC000425563774	ref	4.87	-9.65	0	309.391	2.09	2	5	5	COC(=O)c1cnc([C@H](C)NC(=O)NC[C@H]2CC23CC3)s1
214178758	ZINC000293501293	ref	-0.19	-19.67	0	372.443	0.934	3	6	7	CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1
361823020	ZINC000616604600	mid	5.17	-56.4	1	271.32	1.947	1	3	1	COC(=O)N1CC[NH2+][C@H](c2cccc3ncccc23)C1
230740991	ZINC000425565748	ref	7.72	-14.19	0	313.405	2.368	1	4	7	C=CCn1cc(CNC(=O)N(C)Cc2ccc(CC)cc2)nn1
349533622	ZINC000621487691	ref	6.98	-9.35	0	294.37	3.166	1	2	4	CC[C@@H]1CCCN(C(=O)NCc2cc(OC)ccc2F)C1
214190548	ZINC000337634360	high	-0.14	-8.48	0	286.445	0.429	2	4	6	CN(C)[C@]1(CNC(=O)NCCN2CCC2)CCSC1
361823027	ZINC000339741235	ref	-0.3	-8.27	0	268.157	1.161	3	2	4	O=C(NCC(F)(F)F)N[C@H](CO)CC(F)(F)F
361823037	ZINC000339742050	ref	7.61	-83.26	2	285.457	1.024	3	2	7	C[NH+](C)CCSCC(=O)NC1CC[NH+](C2CC2)CC1
361823049	ZINC000616604684	ref	4.19	-65.93	1	286.335	1.733	1	4	2	CCOC(=O)N1CC[NH2+]C[C@H]1c1cccc2nnccc12
361823054	ZINC000616604684	mid	2.85	-12.29	0	286.335	1.733	1	5	2	CCOC(=O)N1CCNC[C@H]1c1cccc2nnccc12
361823061	ZINC000531821851	ref	3.01	-13.09	0	282.384	1.353	2	3	5	NC(=O)[C@@H]1CCCCC[C@@H]1NC(=O)CC[C@H]1CCOC1
361823071	ZINC000616604751	ref	4.38	-12.36	0	255.321	1.728	1	3	1	CC(=O)N1CCN[C@@H](c2cccc3ncccc23)C1
361823076	ZINC000616604751	mid	5.33	-56.14	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+][C@@H](c2cccc3ncccc23)C1
361823082	ZINC000616604837	ref	2.21	-59.57	1	256.309	1.26	2	2	1	NC(=O)N1CC[NH2+]C[C@@H]1c1cccc2ccncc12
361823091	ZINC000616604837	mid	0.89	-10.78	0	256.309	1.26	2	3	1	NC(=O)N1CCNC[C@@H]1c1cccc2ccncc12
361823097	ZINC000616604630	ref	3.02	-12.89	0	292.36	1.568	0	4	2	CS(=O)(=O)N1CCO[C@@H](c2ccnc3ccccc23)C1
361823110	ZINC000616604685	ref	4.36	-12.34	0	255.321	1.728	1	3	1	CC(=O)N1CCN[C@@H](c2ccnc3ccccc23)C1
361823117	ZINC000616604685	mid	5.32	-56.29	1	255.321	1.728	1	2	1	CC(=O)N1CC[NH2+][C@@H](c2ccnc3ccccc23)C1
361823127	ZINC000616604750	ref	1.26	-15.66	0	293.348	1.01	1	5	3	O=S(=O)(c1ccccc1)N1CCNC[C@H]1c1ccon1
361823026	ZINC000074612736	ref	5.2	-12.28	0	291.399	1.583	1	4	4	CCN(C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1)C1CC1
398247369	ZINC000356380373	ref	2.83	-7.74	0	214.309	1.509	2	2	4	CO[C@@H](CNC(=O)NC(C)(C)C)C1CC1
361823036	ZINC000635538732	ref	6.07	-42.8	1	268.401	1.384	3	2	6	CCC(C)(C)[C@H](O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1
342599792	ZINC000616995371	mid	5.09	-37.21	1	278.4	1.877	3	2	3	Cc1[nH]nc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C
342599793	ZINC000616995371	mid	5.14	-39.71	1	278.4	1.877	3	2	3	Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1C
342599794	ZINC000616995371	mid	5.14	-40.2	1	278.4	1.877	3	2	3	Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1C
361823043	ZINC000635538732	mid	6.21	-43.36	1	268.401	1.384	3	2	6	CCC(C)(C)[C@H](O)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1
342599795	ZINC000590842325	ref	5.93	-13.62	0	277.353	1.752	2	5	5	CSCCNC(=O)Nc1ccnn1-c1ccccn1
342599796	ZINC000590842770	ref	6.39	-9.21	0	293.367	1.227	1	5	4	COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)C(C)(C)C
349533623	ZINC000621229017	ref	5.53	-12.37	0	290.285	2.094	1	3	4	Cn1cc(C(=O)NCC(C)(C)CC(F)(F)F)ccc1=O
361823053	ZINC000635538732	high	3.72	-6.23	0	268.401	1.384	2	3	6	CCC(C)(C)[C@H](O)C(=O)N[C@H]1CCN(CC2CC2)C1
361823062	ZINC000136388749	ref	5.74	-44.43	1	262.353	1.992	3	2	4	C[C@@H](O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1
323004236	ZINC000126723197	ref	3.55	-14.09	0	221.285	0.955	1	4	5	N#CCNC(=O)CSCc1ccccn1
342599797	ZINC000616995138	ref	6.2	-49.12	1	297.443	1.481	2	2	6	CN(C)C(=O)CCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
361823069	ZINC000136388749	high	3.35	-9.76	0	262.353	1.992	2	3	4	C[C@@H](O)C(=O)Nc1cccc(CN2CCCCC2)c1
361823079	ZINC000335718303	ref	4.87	-12.41	0	259.309	1.177	1	4	2	C[C@@H]1[C@@H](CO)CCN1C(=O)c1cn2ccccc2n1
197599555	ZINC000290111556	ref	3.9	-11.4	0	271.32	1.638	1	4	5	O=C(NCCCc1ccccc1)c1cc2n(n1)CCO2
342599798	ZINC000616995138	mid	6.13	-48.6	1	297.443	1.481	2	2	6	CN(C)C(=O)CCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599799	ZINC000590837422	ref	5.46	-10.09	0	269.32	1.447	1	3	4	CO[C@H](C1CC1)[C@@H](C)NC(=O)N1CC[C@@](F)(C#N)C1
342599800	ZINC000590837423	ref	5.21	-11.05	0	269.32	1.447	1	3	4	CO[C@H](C1CC1)[C@H](C)NC(=O)N1CC[C@@](F)(C#N)C1
342599801	ZINC000590842700	ref	7.21	-8.12	0	285.384	1.897	1	4	6	COC(=O)[C@@H](NC(=O)COCC1CCCC1)C(C)(C)C
342599802	ZINC000590837046	ref	5.14	-16.61	0	265.357	1.747	1	3	1	CC1(C)COC[C@H]1NC(=O)N1CCC[C@@](C)(C#N)C1
361823089	ZINC000136391016	ref	1.84	-22.24	0	291.351	1.207	3	3	4	C[C@@H](CCO)NC(=O)Nc1ccc2c(c1)C(=O)N(C)CC2
365625853	ZINC000641592601	ref	3.19	-11.83	0	281.381	1.115	1	3	5	O=S(=O)(NC[C@@H]1C[C@H]1c1cccnc1)N1CCCC1
230740987	ZINC000450463134	ref	4.48	-10.14	0	314.389	1.714	2	5	7	CCc1ccc([C@@H](CO)NC(=O)c2cn(CC3CC3)nn2)cc1
230740989	ZINC000450463506	ref	4.69	-10.88	0	321.373	1.436	1	5	7	COc1ccccc1C(=O)CNC(=O)C[C@@H]1CCOC[C@H]1OC
230740993	ZINC000450464213	ref	1.95	-14.03	0	310.781	1.548	3	3	6	O=C1CC[C@@H](CCC(=O)N[C@H](CO)c2ccc(Cl)cc2)N1
230740996	ZINC000450463040	ref	6.24	-15.56	0	315.373	1.979	1	5	8	CCCOc1ccc(C(=O)CNC(=O)Cn2ccc(C)n2)cc1
342599803	ZINC000616995565	ref	5.81	-44.28	1	278.4	1.579	2	3	3	Cc1nn(C)cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599804	ZINC000616995565	mid	5.81	-44.93	1	278.4	1.579	2	3	3	Cc1nn(C)cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599805	ZINC000616990571	ref	6.58	-45.28	1	292.427	1.737	2	3	4	Cc1cc(C)n(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1
365625857	ZINC000249881579	ref	3.95	-11.88	0	257.374	1.667	1	3	6	CCCCN(CCO)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C
342599806	ZINC000616990571	mid	6.57	-45.76	1	292.427	1.737	2	3	4	Cc1cc(C)n(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1
342599807	ZINC000616995503	ref	5.07	-38.53	1	297.443	1.529	3	2	7	CCCNC(=O)CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599808	ZINC000616995503	mid	5.07	-38.92	1	297.443	1.529	3	2	7	CCCNC(=O)CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599809	ZINC000590836724	ref	2.94	-12.41	0	280.303	1.774	1	4	4	CCCc1ncc(CNC(=O)N2CC[C@@](F)(C#N)C2)o1
342599810	ZINC000590842538	ref	4.1	-47.12	1	252.318	1.507	3	3	2	Cc1noc(C)c1NC(=O)N[C@H]1CCC[N@@H+](C)C1
342599811	ZINC000590842538	mid	4.62	-49.7	1	252.318	1.507	3	3	2	Cc1noc(C)c1NC(=O)N[C@H]1CCC[N@H+](C)C1
342599812	ZINC000590842538	mid	1.73	-11.91	0	252.318	1.507	2	4	2	Cc1noc(C)c1NC(=O)N[C@H]1CCCN(C)C1
365625866	ZINC000641592593	ref	3.94	-11.01	0	295.408	1.505	1	3	5	O=S(=O)(NC[C@@H]1C[C@H]1c1cccnc1)N1CCCCC1
214178762	ZINC000293501293	high	-0.19	-19.67	0	372.443	0.934	3	7	7	CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1
342599813	ZINC000616995202	ref	2.02	-37.24	1	251.33	1.525	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cocn2)C1
342599814	ZINC000616995202	mid	2.07	-37.4	1	251.33	1.525	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cocn2)C1
342599815	ZINC000590837312	ref	3.82	-12.77	0	255.293	1.059	1	3	1	CC1(C)COC[C@@H]1NC(=O)N1CC[C@@](F)(C#N)C1
342599816	ZINC000590842539	ref	4.62	-49.96	1	252.318	1.507	3	3	2	Cc1noc(C)c1NC(=O)N[C@@H]1CCC[N@@H+](C)C1
342599817	ZINC000590842539	mid	4.1	-47.4	1	252.318	1.507	3	3	2	Cc1noc(C)c1NC(=O)N[C@@H]1CCC[N@H+](C)C1
342599818	ZINC000590842539	mid	1.73	-11.83	0	252.318	1.507	2	4	2	Cc1noc(C)c1NC(=O)N[C@@H]1CCCN(C)C1
214178764	ZINC000053357463	ref	7.35	-24.26	0	338.411	2.237	1	3	3	O=C1C[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CN1C1CC1
342599819	ZINC000616995219	ref	4.35	-43.94	1	283.416	1.138	3	2	4	CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
214178768	ZINC000053373180	ref	10.65	-38.62	1	348.45	3.21	2	3	5	Cc1cccc2nc(C(=O)NC[C@@H](c3ccccc3)[NH+]3CCCC3)cn12
342599820	ZINC000616995219	mid	4.36	-44.54	1	283.416	1.138	3	2	4	CC(=O)NC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
197599564	ZINC000290113427	ref	4.36	-9.44	0	256.356	1.649	1	6	4	CCn1c(SCc2scnc2C)n[nH]c1=O
214178772	ZINC000053373180	high	8.55	-10.85	0	348.45	3.21	1	4	5	Cc1cccc2nc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)cn12
365625862	ZINC000354690745	ref	4.76	-43.54	1	295.427	1.282	2	2	5	CC(C)[C@@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
230740986	ZINC000414356938	ref	5.79	-13.01	0	307.415	3.42	1	4	6	CCc1ccc(CC)c(NCc2ccc(S(C)(=O)=O)o2)c1
306234548	ZINC000557849986	ref	1.41	-23.05	0	333.406	1.185	1	4	3	O=S1(=O)CCc2ccc(S(=O)(=O)N[C@H]3CC[C@@H](F)C3)cc21
365625875	ZINC000354691034	ref	1.32	-9.61	0	284.322	1.536	2	3	8	CC[C@@H](O)CCCNC(=O)[C@H](C)N(C)CC(F)(F)F
282120954	ZINC000340488694	ref	6.93	-35.61	1	271.401	2.513	1	3	7	CCC(CC)(C[NH2+][C@@H](C)[C@@]1(C)CCCO1)C(=O)OC
197599568	ZINC000290111467	ref	2.62	-15.28	0	289.291	2.059	1	7	5	CO[C@@H](C)c1noc(CNc2cccc3c2COC3=O)n1
365625884	ZINC000354698965	ref	2.49	-16.37	0	289.319	1.816	1	3	6	CC[C@H](CC(F)(F)F)NS(=O)(=O)C[C@H]1CCCO1
282120956	ZINC000496041295	ref	6.43	-45.09	1	314.47	3.037	1	3	7	CCC(CC)(C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)OC
365625895	ZINC000354691099	ref	2.73	-10.82	0	288.388	1.282	3	4	9	CCOC(=O)CC[C@H](C)NC(=O)NC[C@@H](CO)C(C)C
282123582	ZINC000533474103	ref	3.46	-7.81	0	291.391	1.599	2	3	4	C[C@H](O)[C@@H]1CCCN(C(=O)[C@](C)(O)Cc2ccccc2)C1
282123583	ZINC000533474531	ref	4.62	-12.9	0	299.411	1.58	1	4	5	C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]([C@H](C)O)C1
349533625	ZINC000093256907	mid	6.43	-44.98	1	291.37	0.958	1	2	2	C[NH+]1CCN(C(=O)CN2CCc3cccc(F)c3C2)CC1
365625901	ZINC000354691310	ref	5.87	-12.05	0	286.372	1.539	1	4	6	CCOC(=O)CC[C@H](C)NC(=O)N(C)[C@@H]1CCCOC1
199273222	ZINC000294964383	ref	1.38	-14.11	0	266.345	0.23	1	5	5	CCC[C@@H](O)CN1CCN(c2cnn(C)c2)C(=O)C1
178295404	ZINC000358450363	ref	4.25	-18.65	0	241.254	1.847	3	3	2	Cc1cc2cc(NC(=O)c3nc[nH]n3)ccc2[nH]1
398247370	ZINC000097159629	ref	5.37	-50.0	1	247.346	1.649	2	3	6	Cc1n[nH]c(C)c1C[NH2+]C[C@H](C)Cn1cccn1
365625868	ZINC000274331290	mid	5.73	-48.76	1	261.329	1.179	2	3	1	O=C(Nc1cncnc1)N1CC[N@H+]2CCCC[C@H]2C1
365625871	ZINC000274331290	mid	3.6	-9.97	0	261.329	1.179	1	4	1	O=C(Nc1cncnc1)N1CCN2CCCC[C@H]2C1
342599821	ZINC000616995405	ref	6.07	-39.55	1	278.4	1.753	2	3	4	CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342599822	ZINC000616995405	mid	6.08	-40.04	1	278.4	1.753	2	3	4	CCn1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
210256177	ZINC000265954900	ref	1.23	-14.02	0	367.427	0.233	2	5	4	Cc1ccc(NC(=O)C(=O)N2CCOCC2)cc1S(=O)(=O)NC1CC1
178295409	ZINC000358450363	high	4.07	-45.26	-1	241.254	1.847	2	3	2	Cc1cc2cc(NC(=O)c3nc[n-]n3)ccc2[nH]1
178295414	ZINC000336451046	ref	3.9	-13.13	0	235.262	2.567	3	1	3	Cc1cc2cc[nH]c2cc1NC(=O)NCCF
365625878	ZINC000637720890	ref	4.63	-11.38	0	268.357	1.073	1	3	3	CC(=O)NC[C@@H]1CCCCN1C(=O)[C@@]1(C)CCCO1
398247372	ZINC000076779578	ref	4.1	-12.93	0	223.301	2.373	2	3	2	O=C(Nc1nccs1)N[C@@H]1CC=CCC1
365625882	ZINC000274329328	ref	5.06	-12.43	0	255.368	1.654	1	5	3	O=C(C[C@@H]1CSCCS1)Nc1cncnc1
349533626	ZINC000621226386	ref	3.28	-5.77	0	269.307	2.488	2	2	5	CC(C)[C@](C)(O)C(=O)NCC(C)(C)CC(F)(F)F
190492565	ZINC000269412845	ref	7.56	-14.25	0	291.391	3.056	1	3	5	CC(C)C[C@@H]1CCCN(C(=O)COc2ccccc2O)C1
398247375	ZINC000390756816	ref	7.11	-105.93	2	228.405	1.669	2	1	3	CC(C)[C@@H]1C[N@H+](C[C@H]2CC[NH2+]C2)CCS1
398247377	ZINC000390756816	mid	6.56	-104.97	2	228.405	1.669	2	1	3	CC(C)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+]C2)CCS1
365625891	ZINC000274328359	ref	7.66	-7.5	0	250.298	1.817	0	5	4	CCn1cc(C(=O)C(=O)O[C@H]2CC[C@H](C)C2)cn1
230741015	ZINC000414360033	ref	6.2	-10.41	0	324.49	3.361	2	3	6	C[C@H](Nc1cccc(CS(=O)(=O)NC(C)(C)C)c1)[C@H]1C[C@H]1C
230741018	ZINC000414357920	ref	5.09	-10.94	0	307.781	3.076	1	5	7	COCCOc1c(Cl)cccc1NCc1ccc(C)nn1
178295426	ZINC000006070493	ref	7.01	-14.04	0	200.193	2.848	0	3	0	Cc1cc2ccc(=O)oc2c2ccoc12
365625897	ZINC000274331440	ref	1.91	-10.82	0	266.301	1.186	2	5	5	COC(=O)N[C@@H](CC(C)C)C(=O)Nc1cncnc1
166173018	ZINC000071310661	low	4.09	-103.45	2	140.23	0.466	2	0	3	C=CC[N@H+](C)[C@@H]1CC[NH2+]C1
365625905	ZINC000263555014	ref	5.88	-51.74	-1	255.314	1.125	0	4	3	CC[C@]1(C)CN(C(=O)[C@@H]2CC[C@@H]2C(=O)[O-])CCO1
342084791	ZINC000625348642	ref	5.02	-93.02	2	293.411	1.043	3	4	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCc2nccn2C1
365625872	ZINC000172847458	ref	5.13	-13.93	0	287.363	1.612	2	2	4	Cc1cccc2c(CC(=O)N[C@@H](C)C(=O)N(C)C)c[nH]c12
136228704	ZINC000283932902	ref	0.27	-6.77	0	222.248	0.546	2	4	3	C#CCNC(=O)NC(C)(C)c1nc(C)no1
365625886	ZINC000172853642	ref	5.97	-6.9	0	274.364	1.629	2	2	4	Cc1cc(C)cc(C[C@H](C)NC(=O)C(=O)NC2CC2)c1
365625896	ZINC000172853667	ref	5.14	-10.97	0	293.411	1.758	1	4	5	Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@H]1CCCOC1
342084792	ZINC000625348642	mid	5.02	-89.17	2	293.411	1.043	3	4	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCc2nccn2C1
342084793	ZINC000625348642	mid	5.02	-93.02	2	293.411	1.043	3	3	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCc2[nH+]ccn2C1
365625904	ZINC000172852374	ref	5.7	-26.39	0	278.356	1.078	1	4	4	CC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
342084794	ZINC000625348642	mid	5.02	-89.17	2	293.411	1.043	3	3	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@@H]1CCc2[nH+]ccn2C1
342084795	ZINC000625350416	ref	4.5	-11.82	0	276.336	1.34	1	3	1	Cc1cccc2c1C[C@H](NC(=O)N1CCOCC1)CO2
365625914	ZINC000643088252	ref	3.15	-54.38	1	274.43	1.708	1	2	4	C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CCCCC1
342084796	ZINC000608940608	ref	8.3	-15.98	0	269.247	1.737	0	3	3	COC(=O)[C@@H]1C[C@@H]1C(=O)N(C)c1ccc(F)c(F)c1
365625918	ZINC000172851587	ref	2.47	-19.7	0	295.282	1.267	1	3	4	C[C@@H](CS(C)(=O)=O)NC(=O)c1c(F)cc(F)cc1F
365625929	ZINC000172852371	ref	5.7	-26.27	0	278.356	1.078	1	4	4	CC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
365625936	ZINC000172853559	ref	6.16	-8.74	0	288.391	1.877	2	2	5	CNC(=O)C1(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1
365625942	ZINC000172847515	ref	5.18	-17.13	0	285.347	1.75	1	3	3	Cc1ccc2cccc(C(=O)N[C@@H](C)C(=O)N(C)C)c2n1
365625952	ZINC000313732693	ref	3.5	-48.38	1	299.415	1.238	4	3	6	CCCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@@H]1C[C@H](C)O
365625967	ZINC000313732693	mid	3.78	-49.35	1	299.415	1.238	4	3	6	CCCNC(=O)NC(=O)C[N@H+]1CCCCC[C@@H]1C[C@H](C)O
365625972	ZINC000313732693	high	1.8	-19.02	0	299.415	1.238	3	4	6	CCCNC(=O)NC(=O)CN1CCCCC[C@@H]1C[C@H](C)O
365625977	ZINC000172844335	ref	6.26	-13.68	0	294.376	1.568	1	4	5	COc1ccccc1O[C@H](C)CN1C(=O)[C@H](C)NC1=S
365625985	ZINC000172853555	ref	6.32	-14.99	0	288.391	1.877	2	2	5	CNC(=O)C1(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC1
342084797	ZINC000048331221	ref	5.88	-15.76	0	287.363	1.491	0	4	6	CN(CCOc1cccc(C#N)c1)CC(=O)N1CCCC1
282120955	ZINC000363782883	ref	9.94	-40.83	1	293.455	2.548	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@H]2C2CCCCC2)C1
342599823	ZINC000590842570	ref	5.13	-15.99	0	294.355	1.766	1	4	2	CC(=O)N(C)C1CCN(C(=O)Nc2c(C)noc2C)CC1
214178766	ZINC000293491242	ref	1.22	-15.51	0	366.439	0.935	2	5	2	CS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H](O)C23CCCC3)cc1
214178770	ZINC000293491903	ref	3.42	-16.58	0	364.187	0.623	1	4	5	CNC(=O)CCCN(C)C(=O)c1c(I)cnn1C
214178777	ZINC000293494125	ref	2.83	-13.36	0	373.457	0.996	1	7	8	COCCn1nnc2c1CCN([C@H](C)C(=O)NCc1cccc(OC)c1)C2
349533627	ZINC000621487417	ref	6.74	-9.81	0	282.359	3.022	1	2	6	COc1ccc(F)c(CNC(=O)N(C)CCC(C)C)c1
349533631	ZINC000621488678	ref	7.27	-8.62	0	294.37	3.308	1	2	3	COc1ccc(F)c(CNC(=O)N2CCCCC[C@H]2C)c1
178295412	ZINC000237064471	ref	5.29	-18.0	0	353.422	1.819	2	4	5	CN(C(=O)Cc1ccc(NC(=O)[C@@H]2COCCN2)cc1)c1ccccc1
214178783	ZINC000293488654	ref	8.21	-20.81	0	366.422	0.611	1	7	3	CN(C[C@@H]1CCCN1C(=O)C(=O)Nc1ncn(C)n1)C(=O)OC(C)(C)C
214178788	ZINC000293493144	ref	5.42	-11.69	0	373.413	0.219	1	7	3	CCC1(CC)CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C1
214178794	ZINC000293504246	ref	3.21	-10.63	0	350.705	0.861	2	5	5	COC(=O)[C@H](CNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F)OC
342599824	ZINC000616995139	ref	6.21	-48.0	1	297.443	1.481	2	2	6	CN(C)C(=O)CCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
214178797	ZINC000293488377	ref	2.18	-15.66	0	370.312	0.743	3	6	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)OC
214178801	ZINC000293488377	mid	2.18	-15.66	0	370.312	0.743	3	6	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)OC
349533635	ZINC000621487649	ref	7.88	-10.92	0	278.421	3.121	1	2	4	C[C@@H](NC(=O)N1CC(Cc2ccsc2)C1)C1CCC1
214178805	ZINC000293499507	ref	0.4	-11.73	0	369.487	0.514	3	4	7	CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1
214178812	ZINC000293499507	high	0.4	-11.73	0	369.487	0.514	2	5	7	CN(C)S(=O)(=O)c1ccc(C(=O)N[C@H](CO)CN2CCCCC2)cc1
282120957	ZINC000362063617	ref	7.42	-81.81	2	294.443	1.206	3	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1
214178817	ZINC000293491939	ref	5.23	-12.71	0	358.45	0.2	1	8	5	Cn1ncc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1
214190324	ZINC000337634950	ref	7.42	-15.54	0	299.374	2.216	0	4	4	C[C@H](C(=O)N(C)C[C@@H]1OCCc2ccccc21)n1cccn1
178295415	ZINC000237064471	low	6.65	-47.07	1	353.422	1.819	2	3	5	CN(C(=O)Cc1ccc(NC(=O)[C@@H]2COCC[NH2+]2)cc1)c1ccccc1
398247371	ZINC000651455794	ref	7.84	-10.66	0	289.329	3.444	1	3	2	C[C@@H]1C[C@@H](N[C@H]2CCc3c(F)cc(F)cc32)c2nccn21
365625873	ZINC000122270763	ref	3.43	-53.04	1	292.404	2.245	2	2	6	C[C@@H](CCC[NH3+])NS(=O)(=O)c1cccc2ccccc12
365625888	ZINC000122277750	ref	6.98	-13.77	0	260.316	2.215	0	4	2	Cc1nnc(CN2CCCc3cccc(F)c32)n1C
398247373	ZINC000651455794	mid	8.9	-47.47	1	289.329	3.444	1	2	2	C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c(F)cc(F)cc32)c2nccn21
398247376	ZINC000651456808	ref	7.68	-8.63	0	288.313	3.223	1	1	1	O=C(NC1CC2(CCC2)C1)N1CC=C(C(F)(F)F)CC1
398247379	ZINC000651457157	ref	8.1	-6.94	0	250.386	3.292	1	1	2	CC[C@H]1CC[C@H](C)N1C(=O)NC1CC2(CCC2)C1
365625906	ZINC000122299816	ref	3.85	-40.7	-1	260.322	2.227	1	5	3	CCc1cc(C([O-])=C(C#N)c2nc(C)cs2)n[nH]1
365625920	ZINC000122262652	ref	2.28	-10.29	0	262.309	2.042	1	4	2	COC(=O)N1CCC(/N=C\c2ccccc2O)CC1
178295429	ZINC000237060686	ref	7.33	-53.85	1	373.501	1.659	2	4	6	CC[NH2+]CC1CCN(C(=O)CCc2c(C)nc3c(c2C)c(=O)[nH]n3C)CC1
178295432	ZINC000237060883	ref	4.89	-66.31	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H]([NH3+])C2CC2)c1
230741031	ZINC000425564955	ref	5.9	-14.28	0	313.405	2.457	2	4	8	C=CCn1cc(CNC(=O)NC[C@@H](CC)c2ccccc2)nn1
230741034	ZINC000425563943	ref	4.28	-20.14	0	304.456	2.031	1	3	5	C[C@H]1CCC[C@H](C)N(C(=O)NCCCCS(C)(=O)=O)C1
365625933	ZINC000122262652	low	3.23	-41.37	1	262.309	2.042	2	3	2	COC(=O)N1CCC(/[NH+]=C\c2ccccc2O)CC1
168365461	ZINC000041053833	low	3.85	-118.19	2	193.294	1.249	2	1	4	C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)Cc1ccncc1
197599578	ZINC000290112004	ref	1.66	-10.89	0	264.325	1.891	3	3	7	C=C[C@@H](CO)NC(=O)Nc1cccc(COCC)c1
365625939	ZINC000122262652	high	3.06	-42.94	-1	262.309	2.042	0	4	2	COC(=O)N1CCC(/N=C\c2ccccc2[O-])CC1
178295433	ZINC000237060075	ref	5.75	-49.99	1	350.463	1.089	2	3	6	CC[NH2+]CC1CCN(C(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1
342599825	ZINC000616995139	mid	6.2	-48.75	1	297.443	1.481	2	2	6	CN(C)C(=O)CCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365625948	ZINC000122314415	ref	5.29	-8.06	0	294.37	2.039	1	3	6	COCCCNC(=O)CN1CCCc2cc(F)cc(C)c21
398247383	ZINC000651457227	ref	8.8	-8.16	0	262.397	3.317	1	1	3	CN(C[C@@H]1CC=CCC1)C(=O)NC1CC2(CCC2)C1
197599579	ZINC000162910223	ref	6.13	-47.65	1	312.36	2.561	2	2	9	CCCC[C@@H](C[NH3+])NC(=O)CCC(=O)c1ccc(F)cc1F
342599826	ZINC000616995218	ref	4.35	-45.08	1	283.416	1.138	3	2	4	CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
197599581	ZINC000162910223	high	5.74	-9.75	0	312.36	2.561	2	3	9	CCCC[C@@H](CN)NC(=O)CCC(=O)c1ccc(F)cc1F
214178771	ZINC000337609457	ref	6.53	-8.56	0	293.411	2.471	1	4	8	CCN(c1ccc(C(=O)N[C@@H](C)CCOC)cn1)C(C)C
365625874	ZINC000641593114	ref	0.55	-9.56	0	290.285	1.571	2	4	3	OCc1ccnc(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1
214178774	ZINC000337607161	ref	3.6	-15.63	0	275.333	2.057	2	4	4	CCc1cccnc1NC(=O)c1ccc(C(N)=O)s1
214178781	ZINC000337607254	ref	6.6	-10.83	0	285.347	2.374	0	4	4	COc1c(C)cc(CN(C)C(=O)c2cnccn2)cc1C
214178786	ZINC000337610213	ref	9.81	-10.56	0	277.433	3.454	0	2	5	CCCSCC(=O)N1CC[C@@H](c2ccccc2C)C1
214178791	ZINC000337606292	ref	-0.17	-18.96	0	299.371	-0.036	3	4	5	C[C@H](O)C[C@@H]1CCCN1C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1
214178795	ZINC000337608243	ref	5.0	-10.97	0	268.357	2.326	1	4	7	CC[C@@H](C(=O)N[C@@H](C)CCOC)c1c(C)noc1C
197599583	ZINC000162897238	ref	3.23	-14.09	0	306.156	2.284	1	2	0	C[C@@H]1C[S@@](=O)c2cc(F)c(Br)cc2NC1=O
230741027	ZINC000414358626	ref	7.18	-10.23	0	312.291	3.182	1	2	5	C=CCC[C@@H]1NC(=O)N(c2cccc(CC(F)(F)F)c2)C1=O
214178800	ZINC000337605931	ref	2.2	-12.73	0	257.33	0.459	1	4	6	C[C@H]1CC(=O)CC[C@H]1C(=O)N(C)CCOCCO
214178803	ZINC000337610266	ref	4.84	-42.15	1	276.384	0.896	2	3	5	CCC[N@H+](C)CC(=O)N1CCN[C@H](c2cccnc2)C1
365625879	ZINC000641593114	low	0.84	-34.68	1	290.285	1.571	2	3	3	OCc1cc[nH+]c(N2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1
342599827	ZINC000616995218	mid	4.3	-44.84	1	283.416	1.138	3	2	4	CC(=O)NC(C)(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214178806	ZINC000337610266	mid	4.85	-42.09	1	276.384	0.896	2	3	5	CCC[N@@H+](C)CC(=O)N1CCN[C@H](c2cccnc2)C1
214178808	ZINC000337610266	low	6.09	-106.74	2	276.384	0.896	2	2	5	CCC[N@H+](C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1
365625883	ZINC000641592647	ref	3.66	-7.27	0	263.341	1.119	2	5	5	OC1(CCNc2cc(C3CC3)ncn2)CCOCC1
342599828	ZINC000616990883	ref	6.18	-42.3	1	292.427	1.887	2	3	3	Cc1nn(C)c(C)c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365625890	ZINC000641593082	ref	5.78	-51.44	1	299.378	1.793	2	4	2	C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2nc[nH]c(=O)c2n1
342599829	ZINC000616990883	mid	6.12	-42.24	1	292.427	1.887	2	3	3	Cc1nn(C)c(C)c1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342084798	ZINC000048331221	mid	8.16	-48.34	1	287.363	1.491	1	3	6	C[N@H+](CCOc1cccc(C#N)c1)CC(=O)N1CCCC1
185091220	ZINC000096080877	ref	5.09	-13.61	0	293.392	1.329	0	4	2	CC(C)C(=O)N1C[C@H]2CN(C(=O)c3cscn3)C[C@H]2C1
342084799	ZINC000048331221	mid	8.16	-49.01	1	287.363	1.491	1	3	6	C[N@@H+](CCOc1cccc(C#N)c1)CC(=O)N1CCCC1
282120958	ZINC000362063617	mid	8.26	-83.09	2	294.443	1.206	3	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1
365625876	ZINC000623055520	ref	5.39	-54.41	1	305.769	1.309	1	4	2	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CC[C@H]([NH3+])C1
365625880	ZINC000623056018	ref	3.83	-49.63	1	300.362	1.185	3	3	5	O=C(NCCC[C@@H]1CCC[NH2+]1)c1nc2ccccc2c(=O)[nH]1
178295430	ZINC000082791371	ref	2.28	-68.08	0	251.282	0.096	3	4	4	O=C([O-])c1cccc2c1CC[N@@H+](C[C@@H](O)CO)C2
178295434	ZINC000082791371	mid	2.35	-73.09	0	251.282	0.096	3	4	4	O=C([O-])c1cccc2c1CC[N@H+](C[C@@H](O)CO)C2
178295435	ZINC000082791371	mid	-0.04	-55.21	-1	251.282	0.096	2	5	4	O=C([O-])c1cccc2c1CCN(C[C@@H](O)CO)C2
365625885	ZINC000623056018	mid	2.77	-72.79	0	300.362	1.185	2	3	5	O=C(NCCC[C@@H]1CCC[NH2+]1)c1nc2ccccc2c(=O)[n-]1
365625889	ZINC000623056435	ref	4.09	-41.1	1	304.213	1.73	1	3	2	C[NH2+][C@@H]1CCCN(C(=O)c2ncc(Br)s2)C1
185091223	ZINC000096081412	ref	8.07	-50.68	1	285.391	1.885	1	2	3	O=C(c1cccnc1)N1C[C@H]2C[N@@H+](CC3CC3)CC[C@H]2C1
230741050	ZINC000414360054	ref	10.07	-32.58	1	301.434	3.197	2	1	3	COc1cccc([C@@H]2C[C@@H](NC(=[NH2+])N3CCC(C)CC3)C2)c1
168365773	ZINC000043336334	ref	2.99	-38.32	1	191.234	1.413	1	3	3	C[C@@H]([NH3+])[C@@H](c1ccco1)n1cccn1
185091225	ZINC000096081412	mid	8.03	-45.04	1	285.391	1.885	1	2	3	O=C(c1cccnc1)N1C[C@H]2C[N@H+](CC3CC3)CC[C@H]2C1
342084800	ZINC000608941806	ref	5.67	-7.92	0	286.441	1.939	2	3	7	CCS[C@@H](C(=O)NCC(=O)NC1CCCC1)C(C)C
342084801	ZINC000048335114	ref	5.44	-13.93	0	275.352	1.347	0	4	7	CCN(CCOc1cccc(C#N)c1)CC(=O)N(C)C
365625894	ZINC000623056237	ref	6.16	-95.17	2	302.422	1.949	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2C[C@H]3[C@H]([NH3+])CC[C@H]3C2)c1
342084802	ZINC000048335114	mid	7.51	-47.03	1	275.352	1.347	1	3	7	CC[N@H+](CCOc1cccc(C#N)c1)CC(=O)N(C)C
282120959	ZINC000408351731	ref	6.84	-48.8	1	292.387	0.186	2	4	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2CCc3ncnn3C2)C1
259308907	ZINC000323000700	ref	3.99	-35.95	1	226.345	1.671	2	2	5	CNC(=O)C[C@@H](C)[NH2+]Cc1csc(C)c1
342084803	ZINC000048335114	mid	7.53	-48.77	1	275.352	1.347	1	3	7	CC[N@@H+](CCOc1cccc(C#N)c1)CC(=O)N(C)C
365625887	ZINC000576570149	ref	3.84	-43.18	1	232.331	1.672	1	3	3	[NH3+]C[C@@H]1CCCCN1c1ccnc(C2CC2)n1
365625892	ZINC000576570149	low	4.19	-94.63	2	232.331	1.672	1	2	3	[NH3+]C[C@@H]1CCCCN1c1cc[nH+]c(C2CC2)n1
299072474	ZINC000459276590	ref	7.69	-9.17	0	300.402	2.971	1	2	3	CC[C@@H]1OCC[C@H]1NC(=O)N1CC=C(c2ccccc2C)C1
214178775	ZINC000053372398	ref	6.33	-19.2	0	327.384	1.485	0	5	2	Cc1nn(CC(=O)N2CCO[C@@H]3CCC[C@H]32)c(=O)c2ccccc12
398247374	ZINC000356354969	ref	3.14	-11.69	0	201.266	0.708	1	3	5	CCC[C@]1(NC(=O)COC)CCOC1
342599830	ZINC000616995097	ref	6.05	-40.68	1	254.374	1.426	2	2	6	C=CCOCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
230741052	ZINC000450464864	ref	3.18	-9.15	0	316.357	1.905	0	6	5	COC(=O)c1coc(CN2CCOC[C@@H]2Cc2ccccc2)n1
342599831	ZINC000616995097	mid	6.04	-41.29	1	254.374	1.426	2	2	6	C=CCOCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365625900	ZINC000576566003	ref	9.34	-39.55	0	249.285	2.388	1	2	4	O=C([O-])[C@H]1CCC[N@@H+]1C/C=C\c1ccc(F)cc1
342599832	ZINC000590842572	ref	2.67	-13.43	0	253.302	1.982	2	4	4	Cc1noc(C)c1NC(=O)NCC[C@H]1CCCO1
365625907	ZINC000576566003	mid	9.04	-37.33	0	249.285	2.388	1	2	4	O=C([O-])[C@H]1CCC[N@H+]1C/C=C\c1ccc(F)cc1
365625910	ZINC000576569772	ref	5.65	-8.93	0	249.358	2.416	2	2	4	C[C@@H]1CCC[C@@H](CNC(=O)NCC2(C#N)CC2)C1
282120960	ZINC000246327370	ref	9.55	-49.33	1	343.471	2.006	1	2	4	CN1C(=O)CC[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1c1ccccc1
365625922	ZINC000095015854	ref	6.8	-14.17	0	247.258	1.378	1	6	5	Cn1cnc(CCNc2ccc([N+](=O)[O-])cc2)n1
124847237	ZINC000054187593	ref	5.0	-12.93	0	273.242	2.671	2	3	2	N#Cc1cc(N)ccc1NC(=O)c1cccc(F)c1F
365625945	ZINC000576570203	ref	3.78	-52.26	1	231.303	1.131	2	3	1	C[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@@H]1[NH3+]
365625950	ZINC000576570203	mid	4.06	-91.5	2	231.303	1.131	2	2	1	C[C@H]1CN(c2[nH+]cnc3[nH]ccc23)CC[C@@H]1[NH3+]
365625956	ZINC000576569260	ref	2.49	-11.89	0	237.365	1.208	1	3	6	CCC[C@H](C)S(=O)(=O)N(C)CC(C)(C)O
365625961	ZINC000576566749	ref	6.71	-29.8	1	227.348	1.912	1	2	6	C[N@H+](CCOC[C@@H]1CCCO1)[C@@H]1CC1(C)C
398247378	ZINC000356350144	ref	5.24	-38.31	1	238.375	1.628	1	2	6	CO[C@H](C[NH2+]C1CCN(C2CC2)CC1)C1CC1
365625970	ZINC000576566749	mid	6.51	-29.97	1	227.348	1.912	1	2	6	C[N@@H+](CCOC[C@@H]1CCCO1)[C@@H]1CC1(C)C
365625976	ZINC000576566749	high	4.7	-4.02	0	227.348	1.912	0	3	6	CN(CCOC[C@@H]1CCCO1)[C@@H]1CC1(C)C
365625981	ZINC000576568816	ref	5.92	-42.69	1	209.293	1.17	1	3	6	CCO[C@@H]1C[C@H]1[NH2+]Cc1cncn1CC
214178779	ZINC000053370932	ref	5.84	-22.45	0	328.821	2.122	0	4	6	CCN(C[C@H](C)C#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
342599833	ZINC000590837313	ref	3.79	-12.55	0	255.293	1.059	1	3	1	CC1(C)COC[C@H]1NC(=O)N1CC[C@](F)(C#N)C1
342599834	ZINC000194672455	ref	4.3	-20.24	0	274.324	1.161	2	3	5	CN(C)C(=O)CCCNC(=O)c1ccc2[nH]cnc2c1
282120961	ZINC000130031350	ref	8.77	-42.99	1	323.387	2.414	2	1	4	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H]2c2c(F)cccc2F)C1
214178785	ZINC000053372901	ref	5.55	-19.08	0	343.387	1.032	0	7	5	O=C(Cn1nnc(COc2ccccc2)n1)N1CCO[C@@H]2CCC[C@@H]21
349533628	ZINC000093256907	low	9.01	-102.79	2	291.37	0.958	2	1	2	C[NH+]1CCN(C(=O)C[N@@H+]2CCc3cccc(F)c3C2)CC1
214178790	ZINC000053360153	ref	8.96	-15.98	0	342.399	3.446	1	5	5	Cc1cc(NC(=O)CSc2ccccn2)n(-c2ccccc2F)n1
342599835	ZINC000616990361	ref	5.58	-45.97	1	264.373	1.12	2	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cn2cccn2)C1
349533630	ZINC000093256907	low	9.01	-102.21	2	291.37	0.958	2	1	2	C[NH+]1CCN(C(=O)C[N@H+]2CCc3cccc(F)c3C2)CC1
342599836	ZINC000616990361	mid	5.54	-45.34	1	264.373	1.12	2	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cn2cccn2)C1
214178793	ZINC000053371605	ref	8.42	-23.28	0	339.395	2.989	0	5	6	CCCN(C(=O)Cn1cccnc1=O)[C@H](C)c1cc2ccccc2o1
342599837	ZINC000616990572	ref	6.58	-45.81	1	292.427	1.737	2	3	4	Cc1cc(C)n(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1
342599838	ZINC000616990572	mid	6.51	-45.06	1	292.427	1.737	2	3	4	Cc1cc(C)n(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1
342599839	ZINC000590842571	ref	2.69	-13.4	0	253.302	1.982	2	4	4	Cc1noc(C)c1NC(=O)NCC[C@@H]1CCCO1
214178798	ZINC000053361540	ref	9.01	-11.33	0	349.46	2.088	0	7	8	COc1ccccc1CN(C)C(=O)CSc1nnnn1CC(C)C
214178804	ZINC000053371601	ref	9.62	-26.04	0	339.395	2.989	0	5	6	CCCN(C(=O)Cn1cccnc1=O)[C@@H](C)c1cc2ccccc2o1
214178809	ZINC000053373936	ref	7.08	-15.78	0	333.413	1.628	0	6	3	O=C(CCn1cnc2sccc2c1=O)N1CCO[C@@H]2CCC[C@@H]21
214178814	ZINC000053363986	ref	3.48	-13.91	0	346.88	2.66	1	4	7	CC(C)CCN(C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
197599599	ZINC000290111948	ref	5.14	-37.11	1	290.205	2.049	1	3	7	CC[C@H](C[NH2+][C@H](C)Cn1cc(Br)cn1)OC
342599840	ZINC000616995290	ref	4.31	-39.29	1	283.416	1.139	3	2	6	CCNC(=O)CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214178818	ZINC000053363986	low	5.77	-47.82	1	346.88	2.66	2	3	7	CC(C)CC[N@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
168365462	ZINC000368506389	ref	10.29	-16.04	0	334.504	3.31	0	2	3	CC(C)(C)C(=O)N1CCCN(C(=O)C(C2CCC2)C2CCC2)CC1
178295436	ZINC000237062534	ref	3.98	-49.29	1	360.382	1.313	2	4	4	COC(=O)c1c(F)ccc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)c1F
178295439	ZINC000237062534	high	4.19	-42.8	0	360.382	1.313	1	4	4	COC(=O)c1c(F)ccc(S(=O)(=O)[N-]C2C[C@@H]3CC[C@H](C2)[NH2+]3)c1F
365625893	ZINC000249881584	ref	3.83	-10.12	0	257.374	1.667	1	3	6	CCCCN(CCO)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C
365625899	ZINC000641592465	ref	6.74	-35.08	1	263.385	1.886	2	3	7	CCCN(CC[NH+]1CCCC1)c1cc(CO)ccn1
230741055	ZINC000425567070	ref	7.29	-11.73	0	317.433	2.485	1	3	6	C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)Cc1cccc(N(C)C)c1
365625902	ZINC000641592465	high	4.29	-6.78	0	263.385	1.886	1	4	7	CCCN(CCN1CCCC1)c1cc(CO)ccn1
365625908	ZINC000641592361	ref	5.87	-9.39	0	268.32	1.887	1	4	2	Cc1cc2c(cc1C)N(c1cc(C(N)=O)ncn1)CC2
365625913	ZINC000641593072	ref	0.67	-11.52	0	292.314	1.178	2	4	3	C[C@]1(C[C@H]2CCCN2c2ccncc2F)NC(=O)NC1=O
365625916	ZINC000641593072	low	1.14	-41.71	1	292.314	1.178	2	3	3	C[C@]1(C[C@H]2CCCN2c2cc[nH+]cc2F)NC(=O)NC1=O
230741070	ZINC000425562957	ref	2.41	-18.87	0	318.464	2.323	2	4	8	CC[C@@H](NC(=O)NCCCCS(C)(=O)=O)c1cccs1
365625921	ZINC000641592443	ref	3.36	-9.23	0	266.366	1.583	1	3	3	CNS(=O)(=O)c1ccccc1N1CCC[C@@H]2C[C@@H]21
365625926	ZINC000641592913	ref	2.89	-8.88	0	260.403	1.308	0	3	5	C=CCCCS(=O)(=O)N1CCN(C)C(C)(C)C1
365625932	ZINC000641592913	low	4.94	-44.8	1	260.403	1.308	1	2	5	C=CCCCS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
230741084	ZINC000425567194	ref	3.04	-9.9	0	300.362	2.354	2	4	5	COc1ccnc(CNC(=O)N[C@@H](C)c2ccccc2C)n1
365625934	ZINC000641592913	low	5.07	-42.6	1	260.403	1.308	1	2	5	C=CCCCS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
343994611	ZINC000079941082	ref	6.93	-13.85	0	278.396	2.084	1	2	4	O=C(NC1CCN(C(=O)CC2CCC2)CC1)C1CCC1
299072475	ZINC000567668886	ref	6.72	-11.95	0	285.303	2.41	1	4	5	C[C@@H](C(=O)NCc1cccnc1)c1cccc([N+](=O)[O-])c1
168365466	ZINC000368508680	ref	5.95	-9.45	0	346.452	3.28	0	5	4	COCc1ncc(C(=O)N2[C@@H](C)[C@@H](c3ccccc3)OC[C@H]2C)s1
365625940	ZINC000641592311	ref	5.94	-44.54	1	269.389	1.242	1	2	0	C[C@H]1CN(C(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1
259308909	ZINC000323000700	high	2.94	-8.44	0	226.345	1.671	2	3	5	CNC(=O)C[C@@H](C)NCc1csc(C)c1
365625944	ZINC000641592311	mid	5.92	-44.67	1	269.389	1.242	1	2	0	C[C@H]1CN(C(=O)N2CC[N@@H+](C)C(C)(C)C2)C[C@@H](C)O1
398247380	ZINC000390756816	high	5.04	-41.14	1	228.405	1.669	1	2	3	CC(C)[C@@H]1CN(C[C@H]2CC[NH2+]C2)CCS1
398247381	ZINC000076775934	ref	5.88	-9.42	0	238.306	2.177	1	2	3	CN(CC(=O)NC(C)(C)C)c1ccc(F)cc1
365625898	ZINC000623056237	high	3.68	-53.15	1	302.422	1.949	2	2	3	CN(C)Cc1cccc(NC(=O)N2C[C@H]3[C@H]([NH3+])CC[C@H]3C2)c1
365625903	ZINC000623055533	ref	6.11	-54.79	1	324.812	1.544	2	2	3	Cc1ccc(Cl)cc1NC(=O)N(C)CC(=O)N1CC[NH2+]CC1
365625909	ZINC000623055533	mid	4.82	-17.41	0	324.812	1.544	2	3	3	Cc1ccc(Cl)cc1NC(=O)N(C)CC(=O)N1CCNCC1
178295446	ZINC000002538817	ref	4.54	-7.12	0	215.174	3.342	1	2	0	Cc1cc2cc(N)cc(C(F)(F)F)c2o1
398247386	ZINC000390752568	ref	0.64	-50.53	1	209.249	-1.59	2	2	1	O=C1CN(C(=O)[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCN1
178295453	ZINC000116393058	ref	4.7	-13.04	0	243.31	2.119	2	2	2	Cc1cc2cc(N[C@@H]3CCN(C)C3=O)ccc2[nH]1
190492573	ZINC000269414947	ref	-1.67	-18.65	0	296.327	-0.004	2	6	6	CNC(=O)C(C)(C)CNC(=O)c1c(OC)ncnc1OC
178295458	ZINC000045358090	ref	3.69	-9.39	0	213.236	3.303	1	3	0	Cc1cc2cc(O)cc3oc(C)cc(n1)c23
178295463	ZINC000045358090	low	4.07	-26.99	1	213.236	3.303	1	2	0	Cc1cc2cc(O)cc3oc(C)cc([nH+]1)c23
178295466	ZINC000045358090	high	4.45	-47.92	-1	213.236	3.303	0	3	0	Cc1cc2cc([O-])cc3oc(C)cc(n1)c23
178295469	ZINC000124717429	ref	4.98	-12.85	0	245.326	3.254	3	1	3	Cc1cc2cc(NC(=O)NCC(C)C)ccc2[nH]1
214178789	ZINC000278477596	ref	2.97	-14.53	0	323.386	1.354	0	3	2	C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[S@@](=O)C1
178295475	ZINC000109254117	ref	4.99	-18.4	0	239.278	3.057	3	1	2	Cc1cc2cc(NC(=O)c3cc[nH]c3)ccc2[nH]1
365625912	ZINC000623056043	ref	3.2	-51.33	1	316.224	1.715	1	3	1	[NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ncc(Br)s3)C[C@@H]12
168365463	ZINC000042971013	ref	3.22	-40.8	1	196.269	1.776	1	1	3	C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)N(C)C
178295478	ZINC000026474911	ref	6.53	-52.84	-1	221.643	2.895	0	3	1	Cc1cc2ccc(C(=O)[O-])nc2cc1Cl
365625917	ZINC000623055950	ref	3.52	-51.92	1	304.394	1.314	3	2	4	Cc1ccccc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178295482	ZINC000127541006	ref	4.9	-33.8	1	247.338	3.081	2	2	4	Cc1cc2cc([C@@H](C)[NH2+][C@@H](C)CO)oc2cc1C
178295486	ZINC000127541006	high	3.79	-7.01	0	247.338	3.081	2	3	4	Cc1cc2cc([C@@H](C)N[C@@H](C)CO)oc2cc1C
398247388	ZINC000076777195	ref	5.99	-8.79	0	218.3	2.998	2	1	5	O=C(NCCCC1CC1)Nc1ccccc1
214190327	ZINC000337636376	ref	3.57	-8.78	0	254.33	0.227	1	3	4	CC[C@@H](C)[C@@H](O)C(=O)N1CCN(C2CC2)C(=O)C1
197599593	ZINC000162909335	ref	8.95	-52.22	-1	307.375	2.459	0	7	6	CCn1c(SCC(=O)[O-])nnc1-c1cc(C)ccc1OC
214178792	ZINC000278477146	ref	6.4	-6.89	0	309.331	3.325	2	2	7	O[C@H](CN[C@@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
342599841	ZINC000616995290	mid	4.24	-38.97	1	283.416	1.139	3	2	6	CCNC(=O)CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599842	ZINC000616995252	ref	5.34	-37.83	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCOC2)C1
342599843	ZINC000616995252	mid	5.32	-37.31	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCOC2)C1
365625911	ZINC000354691007	ref	2.64	-9.19	0	279.384	1.963	3	3	7	C/C=C\C[C@H](CO)NC(=O)C[C@@H](C)c1c(C)n[nH]c1C
365625923	ZINC000354690747	ref	4.75	-43.51	1	295.427	1.282	2	2	5	CC(C)[C@H]1CCCCN1C(=O)CCNC(=O)[C@H]1CCC[NH2+]1
214178796	ZINC000278477146	low	7.56	-48.44	1	309.331	3.325	2	1	7	O[C@H](C[NH2+][C@@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
365625928	ZINC000354690449	ref	1.19	-9.82	0	284.322	1.536	2	3	8	CC[C@@H](O)CCCNC(=O)[C@@H](C)N(C)CC(F)(F)F
342599844	ZINC000616995068	ref	5.09	-48.34	1	297.443	1.529	3	2	7	CCNC(=O)CCCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599845	ZINC000616995068	mid	5.02	-47.87	1	297.443	1.529	3	2	7	CCNC(=O)CCCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599846	ZINC000616990362	ref	5.53	-45.35	1	264.373	1.12	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)Cn2cccn2)C1
342599847	ZINC000616990362	mid	5.59	-46.06	1	264.373	1.12	2	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Cn2cccn2)C1
342599848	ZINC000616995291	ref	4.31	-38.65	1	283.416	1.139	3	2	6	CCNC(=O)CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
197599613	ZINC000162914233	ref	7.05	-9.8	0	314.429	2.794	2	2	4	Cc1cccc(CCNC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1
197599615	ZINC000162905477	ref	4.53	-13.21	0	317.842	2.417	1	5	2	CC(C)(C)c1nc(Cl)cc(N[C@]2(C)CCS(=O)(=O)C2)n1
290623287	ZINC000492526136	ref	6.18	-11.18	0	267.332	2.476	1	3	3	Cc1cc(NC(=O)C=Cc2cnccc2C)c(C)cn1
342599849	ZINC000616995291	mid	4.31	-39.05	1	283.416	1.139	3	2	6	CCNC(=O)CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
398247382	ZINC000356350144	mid	7.19	-102.81	2	238.375	1.628	2	1	6	CO[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1
342599850	ZINC000616995502	ref	5.07	-39.23	1	297.443	1.529	3	2	7	CCCNC(=O)CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
259308910	ZINC000322999488	ref	3.39	-5.95	0	209.293	2.012	1	4	5	CC[C@](C)(CNc1nccnc1C)OC
342599851	ZINC000616995502	mid	5.01	-38.93	1	297.443	1.529	3	2	7	CCCNC(=O)CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
398247385	ZINC000181784875	ref	5.61	-7.68	0	238.306	2.316	1	2	4	CC(C)(C)CNC(=O)CCc1cncc(F)c1
178295442	ZINC000237059023	ref	7.36	-54.99	1	359.47	1.502	1	3	6	C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)CC1
349533629	ZINC000618811310	ref	7.54	-9.84	0	276.384	1.99	0	4	4	CN(Cc1cn(C)nn1)C(=O)[C@@H]1C[C@H]1C1CCCCC1
349533636	ZINC000618811899	ref	6.56	-25.31	0	288.351	1.875	0	5	5	CC(C)Oc1ccccc1C(=O)N(C)Cc1cn(C)nn1
349533643	ZINC000618811280	ref	5.52	-20.43	0	287.367	1.502	1	5	5	Cc1cccc(C)c1NCC(=O)N(C)Cc1cn(C)nn1
349533648	ZINC000618810505	ref	4.21	-9.89	0	266.348	1.876	0	4	3	N#CCN1CCN(Cc2ccc3cnccc3c2)CC1
398247384	ZINC000651456967	ref	7.82	-7.29	0	250.386	3.007	1	1	1	C[C@H]1CCN(C(=O)NC2CC3(CCC3)C2)C[C@@H]1C
349533651	ZINC000618810505	mid	6.47	-51.13	1	266.348	1.876	1	3	3	N#CCN1CC[NH+](Cc2ccc3cnccc3c2)CC1
349533655	ZINC000618812130	ref	5.67	-25.08	0	274.324	1.486	0	5	5	CCOc1ccccc1C(=O)N(C)Cc1cn(C)nn1
168365467	ZINC000042971013	low	4.99	-114.19	2	196.269	1.776	2	0	3	C[C@@H]([NH3+])[C@@H](c1cccc(F)c1)[NH+](C)C
365625915	ZINC000274331658	ref	3.43	-17.0	0	263.301	1.761	2	5	6	Cc1noc(C)c1NC(=O)CCCCc1c[nH]nn1
282120962	ZINC000484698332	ref	3.74	-43.47	1	269.389	0.883	3	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H](O)CC2)C1
282120963	ZINC000113457653	ref	10.05	-88.63	2	303.45	1.569	2	1	6	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)C1
398247387	ZINC000651455777	ref	6.6	-9.7	0	270.38	3.252	1	4	3	Cc1ccc([C@H](C)N[C@@H]2C[C@@H](C)n3ccnc32)c(C)n1
168365472	ZINC000043337408	ref	3.87	-46.84	1	195.262	2.095	1	2	5	C[C@@H]([NH3+])[C@@H](OCC1CC1)c1ccco1
168365476	ZINC000043337408	high	3.55	-4.61	0	195.262	2.095	1	3	5	C[C@@H](N)[C@@H](OCC1CC1)c1ccco1
365625919	ZINC000274331658	mid	3.35	-13.9	0	263.301	1.761	2	5	6	Cc1noc(C)c1NC(=O)CCCCc1cn[nH]n1
178295444	ZINC000237060422	ref	4.08	-54.81	1	373.906	1.466	2	3	7	CN(CC(=O)NCC[C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1
365625925	ZINC000274331947	ref	1.7	-19.65	0	276.745	1.133	1	4	6	CCC(=O)CNS(=O)(=O)Cc1ccc(Cl)nc1
187167096	ZINC000125050485	ref	4.94	-9.54	0	294.42	2.209	1	4	5	COCc1ccccc1NC(=O)[C@@H](C)N1CCSCC1
187167097	ZINC000125050485	low	6.81	-42.79	1	294.42	2.209	2	3	5	COCc1ccccc1NC(=O)[C@@H](C)[NH+]1CCSCC1
398247390	ZINC000651455777	mid	7.52	-48.9	1	270.38	3.252	1	3	3	Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)n3ccnc32)c(C)n1
168365477	ZINC000011848833	ref	3.29	-45.2	1	139.202	0.791	1	2	2	C[C@@H]([NH3+])[C@@H](C)n1ccnc1
168365480	ZINC000011848833	low	3.97	-101.11	2	139.202	0.791	1	1	2	C[C@@H]([NH3+])[C@@H](C)n1cc[nH+]c1
342084804	ZINC000625350012	ref	5.96	-15.8	0	292.404	1.938	1	3	2	C[C@H](C(=O)N1CCCc2sccc2C1)[C@H]1CCC(=O)N1
342084805	ZINC000608941888	ref	8.5	-11.41	0	259.305	1.693	0	3	2	COC(=O)[C@@H]1C[C@H]1C(=O)N1CCc2ccc(C)cc21
168365468	ZINC000368505044	ref	7.27	-12.71	0	338.411	3.273	2	4	4	Cc1oc2ccccc2c1CNC(=O)NCc1cnc2n1CCCC2
342084806	ZINC000625348648	ref	6.5	-93.41	2	293.411	1.043	3	4	6	C[N@@H+](C[C@@H]1CCc2nccn2C1)C[C@H](O)CC1(O)CCC1
178295457	ZINC000082791016	ref	2.35	-59.33	1	292.198	1.96	1	2	4	CC[C@H](C[NH3+])S(=O)(=O)c1cccc(Br)c1
178295459	ZINC000082791016	high	2.88	-9.47	0	292.198	1.96	1	3	4	CC[C@H](CN)S(=O)(=O)c1cccc(Br)c1
342084807	ZINC000625348648	mid	6.31	-91.54	2	293.411	1.043	3	4	6	C[N@H+](C[C@@H]1CCc2nccn2C1)C[C@H](O)CC1(O)CCC1
365625924	ZINC000623055703	ref	1.77	-61.23	1	323.418	1.291	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@H]3[C@H]([NH3+])CC[C@H]3C2)cc1
168365776	ZINC000307624971	ref	-0.34	-44.24	1	199.279	0.609	2	3	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cscn1
342084808	ZINC000625348648	mid	6.5	-93.41	2	293.411	1.043	3	3	6	C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@H](O)CC1(O)CCC1
365625927	ZINC000623055719	ref	1.58	-51.29	1	316.361	1.224	4	3	5	O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)C(=O)NC2=O
342084809	ZINC000625348648	mid	6.31	-91.54	2	293.411	1.043	3	3	6	C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@H](O)CC1(O)CCC1
342084810	ZINC000608942907	ref	6.94	-9.74	0	267.247	1.596	0	3	5	CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@H]1C(=O)OC
199273223	ZINC000294964383	low	3.58	-53.33	1	266.345	0.23	2	4	5	CCC[C@@H](O)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1
342084811	ZINC000625349984	ref	3.79	-12.68	0	259.371	1.393	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)C[C@H]2CCCO2)C1
199273225	ZINC000294964383	low	3.59	-55.73	1	266.345	0.23	2	4	5	CCC[C@@H](O)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1
365625931	ZINC000623055719	high	-0.24	-77.47	0	316.361	1.224	3	3	5	O=C(NCCC[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)C(=O)[N-]C2=O
282120964	ZINC000113457653	mid	8.04	-45.47	1	303.45	1.569	1	2	6	CN(C)[C@H](Cc1ccccc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1
199273227	ZINC000294962846	ref	4.54	-11.53	0	252.347	1.954	2	6	5	CCc1nnc(CNc2nnc(C(C)C)s2)[nH]1
343994612	ZINC000599272159	ref	3.82	-13.22	0	274.386	1.271	1	4	8	CCO[C@@H](CS(=O)(=O)NCC(C)(C)C#N)C1CC1
136228705	ZINC000283932157	ref	8.44	-7.73	0	241.334	3.057	1	1	4	CC#CC(=O)N[C@H](CC1CCC1)c1ccccc1
136228706	ZINC000283923982	ref	6.45	-10.14	0	245.322	2.121	1	2	5	CC#CC(=O)NC(C)(C)COCc1ccccc1
199273228	ZINC000294962846	mid	4.15	-9.52	0	252.347	1.954	2	6	5	CCc1nc(CNc2nnc(C(C)C)s2)n[nH]1
214178799	ZINC000278477558	ref	8.38	-12.14	0	310.419	2.79	0	5	5	CCC[C@@]1(C(=O)OCC)CCCN1C(=O)c1cnc(C)s1
214178802	ZINC000278478063	ref	8.74	-44.62	1	317.477	3.158	2	3	4	CC1=C[C@H](C)C[C@H](C[NH+]2CCC([C@H](O)c3nccn3C)CC2)C1
342599852	ZINC000590836396	ref	6.87	-13.62	0	298.321	1.851	1	4	4	Cn1cc([C@@H]2C[C@H]2C(=O)NCc2ccc(C#N)cc2F)cn1
214178807	ZINC000278476417	ref	8.86	-34.75	1	314.473	3.251	1	2	4	c1cc(C2CCC2)ccc1CN1CC[NH+](C2CCOCC2)CC1
214178811	ZINC000278476417	high	6.49	-2.53	0	314.473	3.251	0	3	4	c1cc(C2CCC2)ccc1CN1CCN(C2CCOCC2)CC1
342599853	ZINC000616990688	ref	5.2	-39.8	1	264.373	1.27	2	3	3	Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
290623288	ZINC000492526136	low	6.61	-34.4	1	267.332	2.476	1	2	3	Cc1cc(NC(=O)C=Cc2cnccc2C)c(C)c[nH+]1
259308912	ZINC000306303103	ref	3.73	-7.08	0	244.113	1.874	1	2	2	C#CCNC(=O)c1cc(Br)cs1
342599854	ZINC000616990688	mid	5.21	-40.42	1	264.373	1.27	2	3	3	Cn1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
342599855	ZINC000616990737	ref	4.64	-40.76	1	282.413	1.697	2	4	3	Cc1nnsc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599856	ZINC000616990737	mid	4.65	-41.11	1	282.413	1.697	2	4	3	Cc1nnsc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599857	ZINC000616995341	ref	4.11	-41.45	1	298.427	1.01	3	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](O)C2CCOCC2)C1
197599614	ZINC000290113675	ref	2.09	-9.74	0	281.352	1.278	2	4	9	COCCOCCC(=O)N[C@@H](C)[C@H](O)c1ccccc1
342599858	ZINC000616995341	mid	4.08	-40.79	1	298.427	1.01	3	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H](O)C2CCOCC2)C1
197599618	ZINC000290113033	ref	4.27	-13.09	0	287.319	1.615	0	5	4	COc1cccc(Cc2noc(C3CN(C(C)=O)C3)n2)c1
342599859	ZINC000616995214	ref	6.72	-43.47	1	295.427	1.091	2	2	5	CN(CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C(=O)C1CC1
185091228	ZINC000096081913	ref	6.66	-37.68	1	292.427	1.826	2	4	6	COCC[N@@H+]1C[C@H]2CCC[C@@H](CNc3cnn(C)c3)[C@H]2C1
178305672	ZINC000019515202	low	6.2	-38.39	1	246.314	2.18	2	3	4	Cc1cc2[nH+]cn(CCC/C(N)=N/O)c2cc1C
342599860	ZINC000616995214	mid	6.67	-43.38	1	295.427	1.091	2	2	5	CN(CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C(=O)C1CC1
342599861	ZINC000590842338	ref	6.56	-16.48	0	284.323	1.939	2	5	4	CC(C)(C#N)CNC(=O)Nc1ccnn1-c1ccccn1
342599862	ZINC000616995203	ref	2.07	-37.22	1	251.33	1.525	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cocn2)C1
342599863	ZINC000616995203	mid	2.05	-36.85	1	251.33	1.525	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cocn2)C1
178295449	ZINC000237058586	ref	3.31	-49.74	1	367.515	1.763	3	3	8	CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1
230741089	ZINC000414360133	ref	6.92	-7.68	0	312.291	3.405	1	2	4	C=CCC[C@@H]1NC(=O)N(c2ccc(C(F)(F)F)c(C)c2)C1=O
178295451	ZINC000237058200	ref	2.87	-58.59	1	353.488	1.245	3	3	8	CCS(=O)(=O)NCc1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1
178295452	ZINC000237057437	ref	7.3	-64.84	1	358.442	1.437	2	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[NH2+]CCO3)ccc21
365625930	ZINC000274331947	high	1.31	-42.15	-1	276.745	1.133	0	4	6	CCC(=O)C[N-]S(=O)(=O)Cc1ccc(Cl)nc1
178295455	ZINC000237057437	mid	5.96	-24.21	0	358.442	1.437	2	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3CNCCO3)ccc21
168365470	ZINC000368505044	mid	7.73	-36.28	1	338.411	3.273	2	3	4	Cc1oc2ccccc2c1CNC(=O)NCc1c[nH+]c2n1CCCC2
178295456	ZINC000237063382	ref	4.28	-50.33	1	358.236	1.23	2	3	5	CN(CC(=O)NC[C@@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)o1
178295460	ZINC000237062968	ref	6.99	-51.47	1	364.49	1.335	2	3	5	CC[NH2+]CC1CCN(C(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1
178295462	ZINC000237065271	ref	7.84	-54.97	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2)CC1
178295467	ZINC000237067558	ref	4.01	-46.18	1	352.91	1.952	2	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
190492581	ZINC000269420277	ref	8.04	-13.12	0	283.375	2.349	0	3	5	CN(Cc1cccc(N(C)C)c1)C(=O)Cc1cccnc1
178295470	ZINC000237067558	mid	6.38	-106.93	2	352.91	1.952	3	2	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1
365625935	ZINC000274328793	ref	6.17	-8.2	0	279.384	1.974	0	5	3	Cn1ccc(CN2CCC[C@H](C(=O)OC(C)(C)C)C2)n1
178295471	ZINC000237067558	high	3.71	-7.28	0	352.91	1.952	2	4	7	CC[C@H](C)[C@@H](N)C(=O)NCCN1CCN(c2cccc(Cl)c2)CC1
178295473	ZINC000237057840	ref	5.11	-51.07	1	355.385	1.755	2	3	7	C[NH2+]C[C@H](C)C(=O)N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1=O
178295476	ZINC000237062626	ref	7.76	-52.54	1	364.49	1.431	1	3	5	CC[NH2+]CC1CCN(C(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1
178295480	ZINC000237065919	ref	5.1	-52.65	1	354.248	1.389	2	2	5	C[NH2+]CCNC(=O)[C@@H]1CCCN1C(=O)c1ccc(Br)cc1
178295484	ZINC000237057684	ref	9.23	-59.61	1	373.497	1.762	1	3	6	C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN(C(=O)COc3ccccc3)C2)CC1
178305675	ZINC000082372942	ref	5.36	-6.34	0	212.05	1.8	0	3	0	Cc1cc2nccn2c(Br)n1
365625937	ZINC000623055477	ref	3.1	-41.27	1	304.213	1.859	1	3	2	[NH3+]C[C@@H]1CCCCN1C(=O)c1ncc(Br)s1
365625941	ZINC000623055819	ref	6.01	-58.73	1	314.393	1.622	3	4	6	CC[NH2+]CCNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365625946	ZINC000623055372	ref	6.12	-32.03	1	304.394	1.219	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cn1
365625954	ZINC000623056132	ref	4.26	-64.69	1	300.366	1.36	3	4	4	C[C@H]([NH3+])CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
197599634	ZINC000162900163	ref	3.93	-9.69	0	307.222	2.465	1	4	4	CC[C@@H](O)c1cn(Cc2c(F)c(F)c(F)c(F)c2F)nn1
214178810	ZINC000337610266	low	6.11	-106.73	2	276.384	0.896	2	2	5	CCC[N@@H+](C)CC(=O)N1CC[NH2+][C@H](c2cccnc2)C1
398247389	ZINC000181783415	ref	7.45	-13.73	0	227.304	1.587	0	3	5	CCOC(=O)C[C@H](C)N(C)C(=O)C1CCC1
365625957	ZINC000623056408	ref	4.3	-48.31	1	307.785	1.603	2	4	5	C[C@@H]([NH3+])CCNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
365625965	ZINC000623056069	ref	2.49	-56.16	1	301.35	1.499	4	3	5	C[NH2+]CCNC(=O)Nc1ccc(-c2cc(=O)[nH]c(C)n2)cc1
230741093	ZINC000450462769	ref	5.2	-10.62	0	321.373	1.578	1	5	7	COc1ccccc1C(=O)CNC(=O)[C@@]1(OC(C)C)CCOC1
365625968	ZINC000623056069	high	1.39	-82.71	0	301.35	1.499	3	3	5	C[NH2+]CCNC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1
342084812	ZINC000608930979	ref	6.61	-12.32	0	273.21	1.851	1	3	3	COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1F
365625973	ZINC000623055949	ref	3.52	-52.04	1	304.394	1.314	3	2	4	Cc1ccccc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
365625978	ZINC000623056310	ref	1.82	-48.37	1	304.213	1.905	2	3	2	[NH3+]C1CCC(NC(=O)c2ncc(Br)s2)CC1
214178813	ZINC000337610266	high	2.59	-10.27	0	276.384	0.896	1	4	5	CCCN(C)CC(=O)N1CCN[C@H](c2cccnc2)C1
214178815	ZINC000337606879	ref	6.0	-9.2	0	269.395	2.186	1	5	4	CS[C@H](C)CNC(=O)c1cn2cc(C)nc2s1
342084813	ZINC000625350081	ref	3.61	-10.12	0	285.356	1.574	0	3	4	CO[C@H](C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084814	ZINC000625350319	ref	4.6	-14.69	0	255.343	1.007	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1
342084815	ZINC000608930954	ref	5.07	-13.21	0	273.292	1.137	1	5	4	COC(=O)c1ccc(CNC(=O)c2ccn(C)n2)cc1
342084816	ZINC000608940609	ref	7.5	-10.22	0	269.247	1.737	0	3	3	COC(=O)[C@H]1C[C@@H]1C(=O)N(C)c1ccc(F)c(F)c1
342084817	ZINC000608941240	ref	5.08	-9.68	0	264.216	1.72	1	5	3	Cn1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)n1
342084818	ZINC000608942818	ref	8.11	-11.34	0	279.34	1.226	0	5	7	CCOC(=O)CCN(CC1CC1)C(=O)c1ccn(C)n1
365625938	ZINC000354689472	ref	3.21	-18.35	0	283.397	1.088	1	4	4	Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CC[S@@](=O)C2)n1
365625951	ZINC000354688921	ref	2.29	-11.55	0	291.395	1.988	3	3	5	Cc1cncc(CNC(=O)NC[C@@H]2CCC[C@@H](CO)C2)c1
214178816	ZINC000278477137	ref	6.52	-6.27	0	309.331	3.325	2	2	7	O[C@@H](CN[C@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
365625959	ZINC000354689298	ref	4.95	-10.26	0	257.33	1.017	2	4	7	C/C=C/C[C@H](NC(=O)[C@H](O)C(C)C)C(=O)OCC
230741104	ZINC000425562337	ref	6.19	-43.33	1	309.454	2.141	3	2	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NC1CC[NH+](CCCC)CC1
230741109	ZINC000425567741	ref	4.14	-19.45	0	318.464	2.023	1	4	7	Cc1ccsc1CN(C)C(=O)NCCCCS(C)(=O)=O
230741112	ZINC000425564773	ref	7.11	-11.55	0	304.365	2.485	1	2	3	C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCc2cc(F)ccc2C1
365625969	ZINC000354688951	ref	5.01	-8.78	0	291.347	1.219	2	4	6	COC(=O)[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)[C@H](C)O
365625979	ZINC000354689504	ref	5.35	-7.88	0	291.351	1.173	2	5	7	C/C=C\C[C@H](NC(=O)c1ccc(NC)nc1)C(=O)OCC
365625990	ZINC000354691033	ref	1.32	-9.61	0	284.322	1.536	2	3	8	CC[C@H](O)CCCNC(=O)[C@H](C)N(C)CC(F)(F)F
342599864	ZINC000616995215	ref	6.73	-41.81	1	295.427	1.091	2	2	5	CN(CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(=O)C1CC1
365625996	ZINC000354689438	ref	4.25	-47.75	1	299.411	1.629	2	4	6	COC(=O)CC1([NH2+]C[C@H](O)C2CCCCC2)CCOCC1
365626004	ZINC000354690944	ref	2.94	-18.51	0	269.366	1.521	2	3	5	CC(C)[C@H](O)C(=O)Nc1ccccc1C[S@@](C)=O
365626015	ZINC000354689656	ref	1.14	-10.05	0	264.391	1.168	2	3	7	CC(C)NS(=O)(=O)NCCC[C@H]1CCCCO1
365626030	ZINC000639790693	ref	6.51	-56.07	1	298.39	1.945	2	3	5	CC(=O)NCCC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1
365626039	ZINC000639790693	mid	6.5	-59.45	1	298.39	1.945	2	3	5	CC(=O)NCCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1
349533632	ZINC000621227421	ref	2.11	-7.34	0	291.273	2.194	1	4	5	COc1ccc(C(=O)NCC(C)(C)CC(F)(F)F)nn1
342599865	ZINC000616995215	mid	6.72	-42.67	1	295.427	1.091	2	2	5	CN(CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C(=O)C1CC1
349533634	ZINC000621228371	ref	5.31	-10.64	0	253.264	2.284	1	2	7	C=CCOCC(=O)NCC(C)(C)CC(F)(F)F
365626043	ZINC000639790693	high	4.05	-17.63	0	298.39	1.945	1	4	5	CC(=O)NCCCN1CC[C@H](c2ccc3cccnc3n2)C1
349533638	ZINC000621226251	ref	2.19	-8.61	0	265.235	2.086	1	4	4	Cc1noc(C(=O)NCC(C)(C)CC(F)(F)F)n1
365626052	ZINC000354689709	ref	4.26	-10.48	0	289.339	1.007	2	5	3	CC(C)(C(=O)Nc1nc2cccnc2[nH]1)N1CCOCC1
342599866	ZINC000590837420	ref	5.43	-9.94	0	269.32	1.447	1	3	4	CO[C@H](C1CC1)[C@@H](C)NC(=O)N1CC[C@](F)(C#N)C1
342599867	ZINC000590842213	ref	7.85	-18.94	0	288.351	1.964	1	4	6	COCCN(CCC#N)C(=O)Nc1cc2c(cn1)CCC2
342599868	ZINC000616995255	ref	5.29	-37.78	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCOC2)C1
342599869	ZINC000616995255	mid	5.34	-38.21	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCOC2)C1
342599870	ZINC000616995482	ref	5.92	-44.28	1	278.4	1.199	2	3	4	Cn1cc(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342599871	ZINC000616995482	mid	5.86	-43.9	1	278.4	1.199	2	3	4	Cn1cc(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
342599872	ZINC000616995253	ref	5.34	-37.93	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCOC2)C1
199273224	ZINC000181265883	ref	3.79	-13.84	0	310.781	1.968	2	3	5	CC[C@@H](CO)NC(=O)c1cc(N2CCCC2=O)ccc1Cl
212171978	ZINC000000676621	ref	9.66	-6.19	0	388.588	4.172	0	3	3	COc1ccc(C(=O)Oc2ccc(Cl)cc2)cc1I
212171985	ZINC000000672983	ref	9.15	-18.84	0	392.437	2.937	1	8	6	CCOC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)sc2c1CCCCC2
212171992	ZINC000000675857	ref	10.06	-17.21	0	389.82	4.389	1	6	6	O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1
212171997	ZINC000000673163	ref	12.44	-11.17	0	380.513	5.66	1	4	7	CCOc1ccccc1C(=O)Nc1nc(-c2ccc(CC(C)C)cc2)cs1
212172003	ZINC000000676121	ref	8.78	-16.79	0	393.262	4.206	1	5	5	CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)CC#N
212172009	ZINC000000672867	ref	9.65	-8.21	0	381.309	5.83	1	4	4	O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1
212172014	ZINC000000669919	ref	12.12	-52.84	-1	381.388	3.446	0	6	6	Cc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1
212172022	ZINC000000671384	ref	8.86	-17.87	0	381.259	4.382	1	3	5	CC(=O)N(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1
212172027	ZINC000000674971	ref	7.21	-20.59	0	377.238	3.733	2	3	5	CC(=O)Nc1ccc(NC(=O)COc2ccc(Br)cc2C)cc1
212172034	ZINC000000675679	ref	8.36	-22.22	0	392.262	2.656	1	3	4	CCN(CC)C(=S)NC(=O)c1ccc(OC)c(I)c1
212172038	ZINC000000673967	ref	8.4	-11.57	0	396.388	4.355	2	4	3	O=C(NC1CCCC1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(F)cc1)N2
212172046	ZINC000000676301	ref	9.37	-16.44	0	378.406	3.711	1	7	6	CCOC(=O)c1c(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)sc(C)c1C
365625943	ZINC000274328793	low	8.61	-35.13	1	279.384	1.974	1	4	3	Cn1ccc(C[N@@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)n1
185091230	ZINC000096081913	mid	6.27	-37.84	1	292.427	1.826	2	4	6	COCC[N@H+]1C[C@H]2CCC[C@@H](CNc3cnn(C)c3)[C@H]2C1
365625947	ZINC000274328793	low	8.96	-32.07	1	279.384	1.974	1	4	3	Cn1ccc(C[N@H+]2CCC[C@H](C(=O)OC(C)(C)C)C2)n1
365625953	ZINC000274327993	ref	5.44	-10.33	0	277.372	1.355	1	5	5	CCC(CC)Nc1cc(N2CCN(C)C(=O)C2)ncn1
365625958	ZINC000274327993	low	5.91	-40.03	1	277.372	1.355	1	4	5	CCC(CC)Nc1cc(N2CCN(C)C(=O)C2)nc[nH+]1
342084819	ZINC000625348787	ref	8.58	-94.18	2	292.427	1.54	2	3	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCc2nccn2C1
342084820	ZINC000625348787	mid	8.58	-95.33	2	292.427	1.54	2	3	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCc2nccn2C1
342084821	ZINC000625348787	mid	6.05	-12.78	0	292.427	1.54	2	2	5	C[N@@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCc2[nH+]ccn2C1
214178819	ZINC000337609261	ref	8.09	-7.5	0	288.734	3.119	1	3	4	CCc1cccnc1NC(=O)C(=O)c1ccc(Cl)cc1
214178824	ZINC000337607469	ref	3.05	-13.85	0	266.341	0.826	1	4	7	CN(CCOCCO)C(=O)C(C)(C)c1cccnc1
214178829	ZINC000337608326	ref	6.25	-15.56	0	296.348	2.115	1	6	6	COC(=O)c1nc(NC(=O)CCC(C)=O)sc1C1CC1
365625962	ZINC000274327993	low	5.05	-36.23	1	277.372	1.355	1	4	5	CCC(CC)Nc1cc(N2CCN(C)C(=O)C2)[nH+]cn1
365625966	ZINC000274327855	ref	4.56	-24.83	0	251.261	1.17	1	3	2	CC(=O)N1CCC[C@H]1C(=O)Nc1cccc(F)n1
349533633	ZINC000093230951	ref	3.34	-48.54	1	266.297	0.695	2	4	6	COC(=O)c1cccc(NC(=O)COCC[NH3+])c1C
349533637	ZINC000093256242	ref	1.17	-8.65	0	263.341	0.61	1	4	4	CC[C@@H](O)CN1CCN(C(=O)c2ccncc2)CC1
365625975	ZINC000274329891	ref	2.87	-13.36	0	260.301	1.401	2	5	3	Cc1c([C@H](C)NC(=O)Nc2cncnc2)cnn1C
230741116	ZINC000414357248	ref	7.67	-49.69	1	305.809	3.25	1	3	7	CCc1ncc(C[NH2+]C[C@@H](C)Oc2ccccc2Cl)cn1
230741119	ZINC000414357248	high	6.31	-7.56	0	305.809	3.25	1	4	7	CCc1ncc(CNC[C@@H](C)Oc2ccccc2Cl)cn1
365625983	ZINC000274328775	ref	1.97	-10.04	0	291.38	1.385	1	5	3	C[C@@H](c1nccs1)N1CCN(C(=O)c2cn[nH]c2)CC1
342084822	ZINC000625348787	mid	8.58	-95.33	2	292.427	1.54	2	2	5	C[N@H+](CC(=O)NCC(C)(C)C)C[C@@H]1CCc2[nH+]ccn2C1
342084823	ZINC000625348787	high	6.05	-12.78	0	292.427	1.54	1	4	5	CN(CC(=O)NCC(C)(C)C)C[C@@H]1CCc2nccn2C1
342084824	ZINC000625350134	ref	3.03	-13.94	0	279.312	1.322	1	3	2	C[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@H](C)C1(F)F
342084825	ZINC000625350082	ref	3.61	-11.33	0	285.356	1.574	0	3	4	CO[C@H](C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
168365471	ZINC000368505890	ref	6.62	-47.08	1	343.29	3.218	2	2	4	C[C@H]([NH2+][C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(Br)s1
365625949	ZINC000641592311	mid	3.76	-8.2	0	269.389	1.242	0	3	0	C[C@H]1CN(C(=O)N2CCN(C)C(C)(C)C2)C[C@@H](C)O1
365625955	ZINC000641592393	ref	2.79	-7.0	0	289.445	1.132	0	3	2	C[C@@H]1CCCCN1S(=O)(=O)N1CCN(C)C(C)(C)C1
342084826	ZINC000625350080	ref	3.41	-10.1	0	285.356	1.574	0	3	4	CO[C@@H](C)CS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
365625960	ZINC000641592393	mid	4.97	-41.16	1	289.445	1.132	1	2	2	C[C@@H]1CCCCN1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
342084827	ZINC000032926059	ref	1.31	-22.61	0	284.337	1.176	2	4	4	CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1
342084828	ZINC000048336926	ref	6.32	-47.32	1	276.34	1.302	2	5	3	COC(=O)c1ccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)nn1
190492585	ZINC000269420780	ref	5.77	-11.12	0	288.391	2.176	2	2	4	O=C(NCC1(Cc2ccccc2)CC1)N1CCC(O)CC1
349533639	ZINC000621487809	ref	7.3	-10.32	0	294.37	3.164	1	2	4	COc1ccc(F)c(CNC(=O)N2CCC[C@@H]2C(C)C)c1
365625964	ZINC000641592393	mid	4.66	-43.52	1	289.445	1.132	1	2	2	C[C@@H]1CCCCN1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365625971	ZINC000479761308	ref	0.95	-52.71	1	284.381	1.242	2	3	5	CC(C)Oc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1
185091231	ZINC000096081871	ref	9.89	-93.77	2	290.455	2.138	2	2	4	Cc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)nn1C
342084829	ZINC000048336926	mid	6.32	-46.71	1	276.34	1.302	2	5	3	COC(=O)c1ccc(N[C@H]2CC[N@H+]3CCCC[C@H]23)nn1
342084830	ZINC000625350083	ref	3.61	-11.38	0	285.356	1.574	0	3	4	CO[C@H](C)CS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342084831	ZINC000608942627	ref	4.12	-11.89	0	256.327	1.915	1	5	5	O=C(CSC[C@@H]1CCCCO1)Nc1cnoc1
178295500	ZINC000082790975	ref	2.87	-52.29	1	261.774	2.241	1	2	5	CC[C@H](CC[NH3+])S(=O)(=O)c1cccc(Cl)c1
342084832	ZINC000625348650	ref	6.3	-89.89	2	293.411	1.043	3	4	6	C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCc2nccn2C1
342084833	ZINC000625348650	mid	6.29	-92.21	2	293.411	1.043	3	4	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCc2nccn2C1
199273226	ZINC000181262112	ref	3.85	-19.91	0	304.325	1.918	2	4	2	Cc1c(NC(=O)N2CC[C@@H](O)C2)cnn1-c1ccccc1F
199273229	ZINC000181264899	ref	4.52	-10.58	0	301.339	1.366	1	4	6	Cc1cccc(S(=O)(=O)NCC(=O)OCC2CC2)c1F
365625984	ZINC000641593496	ref	5.17	-44.29	1	260.403	1.142	0	3	4	CN1CCN(S(=O)(=O)CCC2CC2)CC1(C)C
365625989	ZINC000641593496	low	5.3	-42.17	1	260.403	1.142	1	2	4	C[N@@H+]1CCN(S(=O)(=O)CCC2CC2)CC1(C)C
365625963	ZINC000122206890	ref	4.63	-9.12	0	292.379	2.477	2	3	10	C=CCCOCCNC(=O)NCc1cccc(OCC)c1
342599873	ZINC000616995253	mid	5.32	-37.44	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCOC2)C1
342599874	ZINC000616995483	ref	5.93	-43.09	1	278.4	1.199	2	3	4	Cn1cc(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342599875	ZINC000616995483	mid	5.92	-43.73	1	278.4	1.199	2	3	4	Cn1cc(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
214178820	ZINC000278477137	low	7.62	-43.99	1	309.331	3.325	2	1	7	O[C@@H](C[NH2+][C@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
365625974	ZINC000122243390	ref	4.4	-11.28	0	252.339	2.425	1	4	3	COc1csc(C(=O)N[C@@H](C#N)C(C)(C)C)c1
365625980	ZINC000122243138	ref	4.4	-11.32	0	252.339	2.425	1	4	3	COc1csc(C(=O)N[C@H](C#N)C(C)(C)C)c1
214178823	ZINC000278477254	ref	8.39	-44.78	1	315.417	2.79	2	2	3	COc1cc(C)c(NC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1C
365625988	ZINC000122185125	ref	4.43	-24.81	0	273.336	2.313	2	3	4	CC(=O)Nc1cccc(C(=O)N[C@](C)(C#N)C(C)C)c1
365625998	ZINC000122270438	ref	5.29	-7.22	0	285.347	2.447	0	5	4	CCOc1cc(N2CCc3ccc(OC)cc3C2)ncn1
365626010	ZINC000122238671	ref	6.8	-43.43	1	296.358	2.023	2	2	5	C[C@H]1C[C@H](NC(=O)CSCC(F)(F)F)C[N@@H+]1C1CC1
342599876	ZINC000616995340	ref	4.39	-40.58	1	298.427	1.01	3	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](O)C2CCOCC2)C1
365626025	ZINC000122238671	mid	6.52	-45.62	1	296.358	2.023	2	2	5	C[C@H]1C[C@H](NC(=O)CSCC(F)(F)F)C[N@H+]1C1CC1
365626032	ZINC000122238671	high	4.22	-12.39	0	296.358	2.023	1	3	5	C[C@H]1C[C@H](NC(=O)CSCC(F)(F)F)CN1C1CC1
342599877	ZINC000616995340	mid	4.37	-40.04	1	298.427	1.01	3	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H](O)C2CCOCC2)C1
168365473	ZINC000368505890	high	5.92	-8.2	0	343.29	3.218	2	3	4	C[C@H](N[C@H]1CCC(=O)N[C@H]1C1CC1)c1ccc(Br)s1
365626045	ZINC000122297781	ref	6.28	-45.6	-1	299.305	2.482	0	4	5	N#CCCN(Cc1cccnc1)C(=O)c1c([O-])cccc1F
342599878	ZINC000590842271	ref	4.92	-16.26	0	299.378	1.68	2	4	3	N#CCN1CCC(NC(=O)Nc2cc3c(cn2)CCC3)CC1
342599879	ZINC000590836363	ref	4.64	-9.0	0	277.29	1.963	0	4	4	Cn1ccnc1CN1CCC[C@@H](OCC(F)(F)F)C1
342599880	ZINC000590836363	low	5.11	-32.05	1	277.29	1.963	0	3	4	Cn1cc[nH+]c1CN1CCC[C@@H](OCC(F)(F)F)C1
342599881	ZINC000590836808	ref	4.41	-12.18	0	291.326	1.922	2	3	3	CC1(C)COC[C@H]1NC(=O)NCc1ccc(C#N)cc1F
342599882	ZINC000590840523	ref	5.66	-11.27	0	283.347	1.84	1	3	5	N#C[C@@]1(F)CCN(C(=O)NCCOCC2CCCC2)C1
365625982	ZINC000623056461	ref	5.48	-43.91	1	302.422	1.002	1	2	3	CN(CCN1CC[NH2+]CC1)C(=O)N1CCc2ccccc2C1
365625987	ZINC000623056265	ref	2.42	-57.24	1	309.366	1.525	2	4	5	COc1cc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc(OC)c1OC
178295487	ZINC000237060006	ref	2.89	-59.01	1	353.488	1.574	2	3	6	CN(C)C(=O)c1cccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCCC2)c1
168365474	ZINC000368508345	ref	11.16	-53.9	1	345.418	3.344	1	4	5	CCOC(=O)c1cnn(C2CC[NH+](Cc3ccc(F)cc3)CC2)c1C
365625995	ZINC000623056040	ref	3.21	-50.07	1	316.224	1.715	1	3	1	[NH3+][C@@H]1CC[C@H]2CN(C(=O)c3ncc(Br)s3)C[C@H]12
365625999	ZINC000623056157	ref	2.56	-51.94	1	310.423	1.375	3	3	4	Cc1ccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)s1
178295491	ZINC000237056591	ref	8.31	-50.58	-1	350.802	1.793	0	4	3	CN1C(=O)C[C@H](C(=O)N2CC[C@@H](C(=O)[O-])C2)[C@@H]1c1cccc(Cl)c1
197599649	ZINC000162912509	ref	4.97	-16.92	0	309.797	2.768	2	2	3	Cc1ccc(Cl)c(NC(=O)N2CCC[C@@H](CC(N)=O)C2)c1
178295494	ZINC000237062430	ref	2.56	-52.72	1	354.476	1.069	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1
178295497	ZINC000237065292	ref	-0.42	-12.51	0	354.457	1.924	3	6	6	CCS(=O)(=O)Nc1ccc(NC(=O)c2csc(CN)n2)cc1C
197599651	ZINC000162905761	ref	6.18	-10.12	0	302.418	2.99	3	2	7	O=C(NCC[C@@H](O)c1ccccc1)NCC1(C2CC2)CCC1
342599883	ZINC000590842356	ref	6.96	-16.81	0	295.339	1.568	2	5	5	CCOC(=O)C1(CNC(=O)Nc2noc(C)c2C)CCC1
168365475	ZINC000368508345	mid	8.79	-9.25	0	345.418	3.344	0	5	5	CCOC(=O)c1cnn(C2CCN(Cc3ccc(F)cc3)CC2)c1C
178295498	ZINC000237065292	mid	-0.02	-60.0	1	354.457	1.924	3	5	6	CCS(=O)(=O)Nc1ccc(NC(=O)c2csc(C[NH3+])n2)cc1C
178295501	ZINC000237061813	ref	7.19	-54.54	1	359.47	1.673	1	3	5	C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(OC)cc2)CC1
178295503	ZINC000237059492	ref	4.86	-47.61	1	366.893	1.478	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
365626006	ZINC000623056234	ref	6.18	-95.71	2	302.422	1.949	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1
178305679	ZINC000082372942	low	5.84	-30.43	1	212.05	1.8	0	2	0	Cc1cc2[nH+]ccn2c(Br)n1
365626008	ZINC000623056234	high	3.7	-52.3	1	302.422	1.949	2	2	3	CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1
214178821	ZINC000053363986	low	5.76	-47.93	1	346.88	2.66	2	3	7	CC(C)CC[N@@H+](C)CC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
365626014	ZINC000623056481	ref	4.03	-44.6	1	304.213	1.587	1	3	3	C[NH2+]C[C@H]1CCN(C(=O)c2ncc(Br)s2)C1
342599884	ZINC000616995370	ref	5.09	-37.45	1	278.4	1.877	3	2	3	Cc1[nH]nc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C
342599885	ZINC000616995370	mid	5.04	-37.24	1	278.4	1.877	3	2	3	Cc1[nH]nc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1C
230741142	ZINC000425563487	ref	3.94	-19.99	0	318.483	2.325	2	3	7	CC(C)[C@H]1CCC[C@H](NC(=O)NCCCCS(C)(=O)=O)C1
230741144	ZINC000425566883	ref	4.69	-22.57	0	312.435	2.214	1	3	7	C[C@H](c1ccccc1)N(C)C(=O)NCCCCS(C)(=O)=O
230741146	ZINC000425563488	ref	3.51	-20.66	0	318.483	2.325	2	3	7	CC(C)[C@@H]1CCC[C@H](NC(=O)NCCCCS(C)(=O)=O)C1
214178822	ZINC000293491939	mid	6.77	-92.85	2	358.45	0.2	1	9	5	Cn1ncc(CN[C@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1
230741148	ZINC000425564489	ref	5.31	-15.49	0	317.368	2.206	2	4	7	C=CCn1cc(CNC(=O)NC[C@H](C)c2ccc(F)cc2)nn1
365625986	ZINC000576568816	mid	4.64	-6.27	0	209.293	1.17	1	4	6	CCO[C@@H]1C[C@H]1NCc1cncn1CC
230741153	ZINC000425567770	ref	5.04	-21.85	0	318.483	2.421	1	3	8	CC(C)CC[C@H]1CCCN1C(=O)NCCCCS(C)(=O)=O
365625992	ZINC000576570003	ref	2.06	-7.43	0	242.319	0.888	2	3	4	CCO[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCOC[C@@H]1C
365626000	ZINC000576568819	ref	6.08	-39.38	1	209.293	1.17	1	3	6	CCO[C@@H]1C[C@@H]1[NH2+]Cc1cncn1CC
365626005	ZINC000576568819	mid	4.84	-7.07	0	209.293	1.17	1	4	6	CCO[C@@H]1C[C@@H]1NCc1cncn1CC
230741161	ZINC000425564845	ref	7.3	-11.83	0	303.362	2.397	0	5	5	CCC(C)(C)N(CCC#N)C(=O)c1cc2c(cn1)OCCO2
214178825	ZINC000293491939	low	6.77	-92.85	2	358.45	0.2	1	7	5	Cn1ncc(C[NH2+][C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1
214178828	ZINC000293502701	ref	4.64	-18.97	0	373.453	0.487	2	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1
214178833	ZINC000293498183	ref	1.48	-15.06	0	371.484	0.874	2	5	4	CSC[C@H]1CCCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1
365626012	ZINC000175936989	ref	4.79	-9.74	0	240.347	1.855	1	2	3	CC[C@H]1CCN(C(=O)NCC2CCOCC2)C1
342599886	ZINC000616995370	mid	5.13	-40.39	1	278.4	1.877	3	2	3	Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1C
342599887	ZINC000616995370	mid	5.07	-40.05	1	278.4	1.877	3	2	3	Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1C
342599888	ZINC000590836663	ref	2.95	-11.04	0	287.356	1.771	1	3	6	COCCS(=O)(=O)NC1(c2ccc(F)cc2)CCC1
259308914	ZINC000312488644	ref	5.53	-44.2	1	241.306	2.349	1	2	7	CC[C@@H](C[NH2+]Cc1cc(F)cc(OC)c1)OC
365626027	ZINC000343774521	ref	2.82	-8.87	0	242.388	1.726	2	3	5	CC(C)(C#N)CCC[N@@H+]1CCSC[C@H]1CO
178295495	ZINC000082594768	ref	5.5	-54.4	1	208.692	2.562	1	1	2	Cc1cc2cc(Cl)ccc2n1CC[NH3+]
398247391	ZINC000356350523	ref	4.11	-9.28	0	212.293	1.217	1	2	4	CO[C@@H](CNC(=O)N1CCCC1)C1CC1
398247394	ZINC000356352073	ref	2.08	-7.08	0	240.225	1.273	2	2	5	CO[C@@H](CNC(=O)NCC(F)(F)F)C1CC1
178295512	ZINC000301185133	ref	7.66	-10.03	0	224.267	3.01	2	3	2	Cc1cc2cc(Nc3ncccn3)ccc2[nH]1
398247397	ZINC000181782029	ref	7.81	-6.68	0	235.302	3.653	1	1	4	Cc1cccc(NC(=O)CCC2CCC2)c1F
398247403	ZINC000181784937	ref	5.01	-7.88	0	242.363	2.243	1	2	4	CC[C@H](C)CN(C)C(=O)N[C@@H]1CCCOCC1
168365478	ZINC000368507483	ref	10.55	-38.02	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@@H+]1C[C@H]2CCCCCC[C@H]21
178295524	ZINC000001575850	ref	5.76	-17.08	0	218.647	2.239	0	4	0	Cc1cc2cc3ccc(Cl)nn3c2nn1
398247407	ZINC000356353032	ref	5.79	-41.65	1	239.359	2.103	1	2	5	CO[C@@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1
398247410	ZINC000356351621	ref	3.14	-10.79	0	217.309	1.343	1	3	7	CCC[C@H](CNC(=O)C(C)(C)OC)OC
178295534	ZINC000006070481	ref	1.2	-49.01	-1	211.242	1.723	1	3	1	Cc1cc2cc(S(=O)(=O)[O-])ccc2[nH]1
178295538	ZINC000011633999	ref	5.0	-4.77	0	207.664	2.482	2	2	0	Cc1cc2cc(Cl)ccc2[nH]c1=NN
342084834	ZINC000625348650	mid	6.3	-89.89	2	293.411	1.043	3	3	6	C[N@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCc2[nH+]ccn2C1
398247414	ZINC000356380013	ref	-0.69	-9.29	0	245.319	0.317	2	4	7	CO[C@]1(C(=O)NCCC[C@@H](C)CO)CCOC1
398247417	ZINC000181783437	ref	8.0	-11.31	0	243.347	2.223	0	3	5	CCOC(=O)C[C@@H](C)N(C)C(=O)CC(C)(C)C
398247419	ZINC000181784957	ref	5.31	-8.04	0	242.363	2.243	1	2	4	CC[C@@H](C)CN(C)C(=O)N[C@H]1CCCOCC1
342084835	ZINC000625348650	mid	6.29	-92.21	2	293.411	1.043	3	3	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)C[C@H]1CCc2[nH+]ccn2C1
342084836	ZINC000608943237	ref	5.53	-47.35	1	286.291	1.015	1	5	4	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
178295568	ZINC000014985799	ref	5.7	-4.74	0	210.074	3.239	1	0	0	Cc1cc2cc[nH]c2cc1Br
178295572	ZINC000001705021	ref	5.71	-4.13	0	210.074	3.239	1	0	0	Cc1cc2ccc(Br)cc2[nH]1
349533640	ZINC000093256242	mid	3.4	-47.27	1	263.341	0.61	2	3	4	CC[C@@H](O)C[NH+]1CCN(C(=O)c2ccncc2)CC1
178295584	ZINC000091692720	ref	3.87	-7.15	0	211.062	2.634	1	1	0	Cc1cc2cc[nH]c2c(Br)n1
398247421	ZINC000356343174	ref	4.22	-4.86	0	215.293	0.953	1	4	7	CC[C@H](NC[C@H](OC)C1CC1)C(=O)OC
178295590	ZINC000128180240	ref	4.91	-15.27	0	239.278	3.057	3	1	2	Cc1cc2cc(NC(=O)c3ccc[nH]3)ccc2[nH]1
178295596	ZINC000356262653	ref	6.36	-12.77	0	228.295	3.215	2	1	3	Cc1cc2cc(NC(=O)CC3CC3)ccc2[nH]1
349533641	ZINC000621228697	ref	6.2	-35.59	1	266.307	2.175	2	1	4	C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)CC(F)(F)F
349533644	ZINC000621228697	mid	5.7	-37.96	1	266.307	2.175	2	1	4	C[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)CC(F)(F)F
349533647	ZINC000621228697	mid	3.73	-8.4	0	266.307	2.175	1	2	4	CN1CCC[C@H]1C(=O)NCC(C)(C)CC(F)(F)F
168365479	ZINC000368507483	mid	10.09	-39.79	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@H+]1C[C@H]2CCCCCC[C@H]21
365625991	ZINC000172844278	ref	5.69	-12.03	0	294.376	1.568	1	4	5	COc1ccc(O[C@@H](C)CN2C(=O)[C@H](C)NC2=S)cc1
365626002	ZINC000330567410	ref	6.63	-13.92	0	294.351	1.582	1	4	4	N#Cc1ccc(SCC(=O)N2C[C@@H](F)C[C@H]2CO)cc1
365626013	ZINC000172852832	ref	4.76	-8.21	0	258.325	1.783	2	3	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cn[nH]n2)c1
365626023	ZINC000172852832	mid	4.81	-10.88	0	258.325	1.783	2	3	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cnn[nH]2)c1
365626028	ZINC000172852832	high	4.56	-38.35	-1	258.325	1.783	1	3	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)c2c[n-]nn2)c1
365626034	ZINC000172852832	high	4.64	-38.5	-1	258.325	1.783	1	3	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cnn[n-]2)c1
197599658	ZINC000290113454	ref	5.53	-9.25	0	277.32	1.772	1	4	5	CCOC(=O)c1ccc(C(=O)NC[C@H]2CCCO2)cc1
197599660	ZINC000290111311	ref	11.6	-9.94	0	288.37	2.924	0	4	6	CCCN(c1nnc(Cc2ccccc2F)n1C)C1CC1
197599662	ZINC000290111520	ref	4.06	-13.12	0	294.351	2.165	2	4	5	CO[C@@H](CNC(=O)OC(C)(C)C)C(=O)Nc1ccccc1
365626037	ZINC000172852832	high	4.74	-38.72	-1	258.325	1.783	1	3	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cn[n-]n2)c1
230741164	ZINC000414359975	ref	7.93	-11.48	0	307.401	3.454	1	5	5	CCc1ncc(CNc2cccc(-n3nc(C)cc3C)c2)cn1
342084837	ZINC000608943237	mid	5.07	-14.38	0	286.291	1.015	1	6	4	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cnn(-c2ccncc2)c1
365626044	ZINC000643088230	ref	3.84	-57.68	1	280.393	1.294	1	2	3	C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
214178827	ZINC000278477254	high	5.81	-11.16	0	315.417	2.79	1	3	3	COc1cc(C)c(NC(=O)N2CC[C@H](N3CC=CC3)C2)cc1C
214178830	ZINC000278477140	ref	6.39	-6.86	0	309.331	3.325	2	2	7	O[C@@H](CN[C@@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
342084838	ZINC000625349965	ref	4.38	-14.2	0	270.354	1.711	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)Cc2cc(C)no2)C1
342084839	ZINC000048335742	ref	3.54	-6.02	0	263.75	1.432	0	6	5	COC(=O)[C@H](C)CN(C)Cc1nnsc1Cl
342084840	ZINC000625350014	ref	5.47	-15.32	0	292.404	1.938	1	3	2	C[C@H](C(=O)N1CCCc2sccc2C1)[C@@H]1CCC(=O)N1
230741165	ZINC000425563277	ref	7.65	-8.65	0	316.401	2.359	2	3	6	CC[C@](CNC(=O)N[C@H]1CC12CC2)(C(=O)OC)c1ccccc1
230741167	ZINC000425567730	ref	5.03	-20.91	0	318.483	2.279	1	3	7	CC(C)C[C@@H]1CCCN(C(=O)NCCCCS(C)(=O)=O)C1
365625993	ZINC000641593496	low	5.17	-44.29	1	260.403	1.142	1	2	4	C[N@H+]1CCN(S(=O)(=O)CCC2CC2)CC1(C)C
365625997	ZINC000641592723	ref	6.13	-10.39	0	255.325	1.866	0	5	2	Cn1nccc1-c1ccc(N2CCC[C@H]3C[C@H]32)nn1
365626003	ZINC000641592686	ref	5.03	-13.84	0	283.129	1.86	0	5	3	Cc1cccc(OCc2nnnn2C)c1Br
365626009	ZINC000641592439	ref	5.47	-7.42	0	275.352	1.738	0	5	3	c1nc(C2CC2)cc(N2CCOC[C@H]2[C@@H]2CCCO2)n1
365626017	ZINC000641592592	ref	4.52	-42.8	1	284.372	1.387	0	3	4	CN1CCN(S(=O)(=O)CCC(C)(F)F)CC1(C)C
230741180	ZINC000425567124	ref	6.07	-16.86	0	315.377	2.412	1	5	5	C=CCn1cc(CNC(=O)N2CCC[C@@H]2c2ccc(C)o2)nn1
365626019	ZINC000641592592	low	4.66	-41.83	1	284.372	1.387	1	2	4	C[N@@H+]1CCN(S(=O)(=O)CCC(C)(F)F)CC1(C)C
365626024	ZINC000641592592	low	4.52	-42.8	1	284.372	1.387	1	2	4	C[N@H+]1CCN(S(=O)(=O)CCC(C)(F)F)CC1(C)C
365626029	ZINC000641592372	ref	2.95	-8.16	0	262.419	1.388	0	3	4	CC[C@@H](C)CS(=O)(=O)N1CCN(C)C(C)(C)C1
365626035	ZINC000641592372	low	5.11	-41.46	1	262.419	1.388	1	2	4	CC[C@@H](C)CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
178295504	ZINC000237059492	high	4.56	-8.45	0	366.893	1.478	2	4	6	CC[C@H](C)[C@@H](N)C(=O)NCC(=O)N1CCN(c2cccc(Cl)c2)CC1
342084841	ZINC000608942628	ref	4.13	-11.92	0	256.327	1.915	1	5	5	O=C(CSC[C@H]1CCCCO1)Nc1cnoc1
178295505	ZINC000237058410	ref	5.46	-65.51	1	373.478	1.979	2	3	7	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)cc1
178295509	ZINC000237057533	ref	6.46	-52.58	1	373.478	1.947	1	3	4	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCC[NH2+]CC2)cc1
214178831	ZINC000053373883	ref	6.33	-8.9	0	327.428	2.137	1	4	5	Cc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)n1C
185091440	ZINC000096081397	ref	5.1	-31.72	1	289.423	1.79	1	3	5	COCC[N@@H+]1CC[C@@H]2CN(Cc3cccc(C)n3)C[C@@H]2C1
214178837	ZINC000053373883	low	8.65	-45.49	1	327.428	2.137	2	3	5	Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)n1C
230741189	ZINC000425562909	ref	5.36	-21.27	0	324.446	2.14	1	3	5	C[C@H]1c2ccccc2CCN1C(=O)NCCCCS(C)(=O)=O
342084842	ZINC000625350018	ref	5.32	-14.67	0	292.404	1.938	1	3	2	C[C@@H](C(=O)N1CCCc2sccc2C1)[C@H]1CCC(=O)N1
365626040	ZINC000641592372	low	4.99	-43.72	1	262.419	1.388	1	2	4	CC[C@@H](C)CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
342599889	ZINC000616990758	ref	2.23	-47.37	1	298.431	1.062	4	2	7	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCCCNC(N)=O)C1
342599890	ZINC000616990758	mid	2.28	-47.74	1	298.431	1.062	4	2	7	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCCCNC(N)=O)C1
214178832	ZINC000337607239	ref	8.87	-9.59	0	261.365	3.071	0	2	5	COc1c(C)cc(CN(C)C(=O)CC2CC2)cc1C
214178835	ZINC000337606083	ref	4.33	-8.43	0	285.428	2.495	2	3	8	CCCC[C@H](C)C(=O)NC[C@]1(O)C[C@H](OCC)C1(C)C
214178841	ZINC000337606046	ref	2.51	-12.28	0	282.34	2.17	2	4	7	CCOCCNC(=O)Nc1cc(OC)cc(OC)c1C
282120965	ZINC000449151254	ref	6.53	-16.72	0	267.35	2.09	1	4	5	COC(=O)C[C@H](C)NC(=O)c1cccc(SC)c1
214178848	ZINC000337606794	ref	2.92	-11.25	0	285.29	2.211	2	3	5	O=C(Cc1cccc(O)c1)N[C@@H]1CCC[C@H]1OC(F)F
365625994	ZINC000274331288	ref	5.75	-49.03	1	261.329	1.179	2	3	1	O=C(Nc1cncnc1)N1CC[N@@H+]2CCCC[C@@H]2C1
214178852	ZINC000337609670	ref	2.68	-44.51	1	265.313	0.14	3	3	6	Cc1occc1C(=O)NCC(=O)NCC[NH+]1CCC1
197599670	ZINC000290113578	ref	7.83	-13.74	0	298.39	1.887	0	4	3	Cc1cccc(CN(C)C(=O)[C@H]2CCc3nnn(C)c3C2)c1
197599672	ZINC000290112195	ref	3.04	-12.43	0	254.29	0.134	1	6	6	CCOC(=O)C[C@H](C)CNC(=O)c1cn(C)nn1
342599891	ZINC000590837311	ref	3.79	-12.31	0	255.293	1.059	1	3	1	CC1(C)COC[C@@H]1NC(=O)N1CC[C@](F)(C#N)C1
214178855	ZINC000337609670	mid	-0.51	-10.62	0	265.313	0.14	2	4	6	Cc1occc1C(=O)NCC(=O)NCCN1CCC1
214178859	ZINC000337607981	ref	6.8	-11.7	0	285.347	3.079	1	4	5	CCc1cccnc1NC(=O)c1cncc(OC(C)C)c1
214178862	ZINC000337609504	ref	3.01	-39.82	1	258.362	0.328	2	3	6	CC[NH+](CC)CC(=O)N1CCC(CO)(OC)CC1
214178867	ZINC000337609504	high	1.2	-10.89	0	258.362	0.328	1	4	6	CCN(CC)CC(=O)N1CCC(CO)(OC)CC1
299072477	ZINC000358088145	mid	7.06	-44.88	1	308.47	1.761	2	2	3	CCN1C[C@H](C)N(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)C[C@@H]1C
214178875	ZINC000337609859	ref	8.97	-13.25	0	296.37	3.395	1	3	5	CCc1cccnc1NC(=O)[C@H]1C[C@H]1c1cccc(OC)c1
214178878	ZINC000337610081	ref	8.41	-9.48	0	297.345	3.274	0	2	5	COc1cccc(CCC(=O)N2CCCC[C@@H]2C(F)F)c1
214178884	ZINC000337610019	ref	1.92	-13.22	0	259.346	0.66	1	4	7	CCN(CCOCCO)C(=O)[C@@]1(C)CCCOC1
214178890	ZINC000337607570	ref	3.78	-15.35	0	284.356	0.69	1	4	6	COC(=O)[C@]1(C)CN(C(=O)CCCCC(N)=O)C[C@@H]1C
214178894	ZINC000337610044	ref	0.57	-11.9	0	258.318	-0.63	2	4	8	CCN(CCOCCO)C(=O)C1(C(=O)NC)CC1
214178900	ZINC000337609072	ref	5.49	-15.34	0	287.31	2.347	0	4	5	Cc1noc(CCCC(=O)N2CCCC[C@@H]2C(F)F)n1
178295510	ZINC000237057533	high	5.15	-13.9	0	373.478	1.947	1	4	4	CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)N2CCCNCC2)cc1
343994613	ZINC000079935770	ref	4.83	-12.25	0	298.305	2.312	1	3	5	CN(CCNC(=O)CCC(F)(F)F)C(=O)OC(C)(C)C
343994615	ZINC000079922736	ref	5.92	-7.53	0	299.374	2.425	1	5	6	COC(=O)[C@@H](C)[C@@H](NCc1cnc(C)cn1)c1ccccc1
178295514	ZINC000237056994	ref	4.59	-53.35	1	358.442	1.171	3	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[C@H](O)C[NH2+]3)ccc21
365626001	ZINC000274331288	mid	5.81	-46.97	1	261.329	1.179	2	3	1	O=C(Nc1cncnc1)N1CC[N@H+]2CCCC[C@@H]2C1
365626007	ZINC000274331288	mid	3.56	-10.01	0	261.329	1.179	1	4	1	O=C(Nc1cncnc1)N1CCN2CCCC[C@@H]2C1
365626011	ZINC000274328143	ref	4.34	-9.92	0	253.321	1.521	0	3	6	CCCN(CC(=O)N(C)C)Cc1cncc(F)c1
178295516	ZINC000237056994	high	3.38	-25.79	0	358.442	1.171	3	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@@H]3C[C@H](O)CN3)ccc21
178295520	ZINC000237056334	ref	3.33	-57.98	1	355.504	1.571	2	3	9	CCS(=O)(=O)NCc1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1
365626016	ZINC000274328143	low	6.36	-44.22	1	253.321	1.521	1	2	6	CCC[N@H+](CC(=O)N(C)C)Cc1cncc(F)c1
365626020	ZINC000274328143	low	6.31	-43.42	1	253.321	1.521	1	2	6	CCC[N@@H+](CC(=O)N(C)C)Cc1cncc(F)c1
178295522	ZINC000237063662	ref	3.52	-54.25	1	359.879	1.076	2	3	6	CN(CC(=O)NC[C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1
398247392	ZINC000076778299	ref	5.12	-8.7	0	242.319	2.699	2	2	4	CSC[C@H](C)NC(=O)Nc1ccccc1F
412491664	ZINC000573319859	ref	3.01	-9.38	0	320.349	0.019	1	7	3	CCOC(=O)[C@H]1CN(C(=O)c2cnc(C)nc2N)CC12COC2
178295525	ZINC000237057500	ref	2.73	-61.81	1	353.488	1.325	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)cc1
178295527	ZINC000237059388	ref	3.14	-55.39	1	368.503	1.131	2	4	8	CN(CC(=O)NCC[NH2+]C1CCCCCC1)S(=O)(=O)c1cccnc1
230741177	ZINC000414359935	ref	3.56	-49.12	1	318.87	3.046	2	2	7	CCC(CC)(CC)[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1
365626026	ZINC000274330837	ref	2.46	-9.94	0	279.72	1.736	1	3	5	CCC(=O)CNS(=O)(=O)c1ccc(F)cc1Cl
178295532	ZINC000237060569	ref	7.2	-50.03	1	362.493	1.794	1	3	5	C[NH2+]CC1CCN(C(=O)[C@H](C)N2CCN(c3ccc(F)cc3)CC2)CC1
178305682	ZINC000065492419	ref	8.36	-8.15	0	224.267	2.432	0	4	1	Cc1cc2ncn(-c3cncnc3)c2cc1C
365626033	ZINC000274330837	high	2.6	-40.91	-1	279.72	1.736	0	3	5	CCC(=O)C[N-]S(=O)(=O)c1ccc(F)cc1Cl
342599892	ZINC000616990738	ref	4.63	-41.4	1	282.413	1.697	2	4	3	Cc1nnsc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599893	ZINC000616990738	mid	4.58	-41.1	1	282.413	1.697	2	4	3	Cc1nnsc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214178834	ZINC000278477140	low	7.62	-48.36	1	309.331	3.325	2	1	7	O[C@@H](C[NH2+][C@@H](Cc1ccccc1)C(F)F)c1ccc(F)cc1
349533642	ZINC000621484379	ref	8.89	-12.74	0	283.375	3.312	1	2	2	Cc1ccc([C@@H]2CCCN2C(=O)c2[nH]c(C)nc2C)cc1
365626018	ZINC000623056353	ref	4.21	-39.76	1	303.362	1.818	2	3	1	O=C(Nc1ccc2c(c1)OCCO2)N1CCC12CC[NH2+]CC2
259308916	ZINC000312488644	high	3.87	-3.67	0	241.306	2.349	1	3	7	CC[C@@H](CNCc1cc(F)cc(OC)c1)OC
214178836	ZINC000278477446	ref	6.79	-12.38	0	300.318	1.242	0	7	2	COC(=O)C1=NOC2(CCN(c3cccc(C#N)n3)CC2)C1
342599894	ZINC000616995564	ref	5.81	-45.34	1	278.4	1.579	2	3	3	Cc1nn(C)cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214178839	ZINC000278476757	ref	4.1	-12.46	0	317.393	1.582	2	5	3	Cc1nn(C)c(C)c1-c1cc(C(=O)N[C@H]2CCOC[C@H]2C)[nH]n1
282120966	ZINC000449150645	ref	7.82	-41.96	1	271.401	2.37	1	3	8	COC(=O)COC[C@H](C)[NH2+]CC[C@@H]1CCCC[C@@H]1C
282120967	ZINC000449150644	ref	7.82	-41.98	1	271.401	2.37	1	3	8	COC(=O)COC[C@H](C)[NH2+]CC[C@H]1CCCC[C@H]1C
222609325	ZINC000170625764	ref	7.62	-48.75	-1	365.389	1.62	2	5	7	O=C([O-])CNC(=O)CNC(=O)c1cn(Cc2ccccc2)c2ccccc12
342599895	ZINC000616995564	mid	5.74	-44.79	1	278.4	1.579	2	3	3	Cc1nn(C)cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599896	ZINC000616995096	ref	6.05	-41.66	1	254.374	1.426	2	2	6	C=CCOCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214178857	ZINC000278477313	ref	5.82	-33.52	1	304.434	2.081	1	3	7	COc1ccccc1C[C@@H](C)[NH2+]CC1(N2CCOCC2)CC1
199273230	ZINC000181264899	high	4.47	-49.15	-1	301.339	1.366	0	4	6	Cc1cccc(S(=O)(=O)[N-]CC(=O)OCC2CC2)c1F
214178861	ZINC000278477708	ref	9.17	-14.5	0	316.445	3.121	2	2	7	CCc1ccc([C@H](C)NC(=O)[C@@H](CC2CCC2)NC(C)=O)cc1
190492591	ZINC000269417380	ref	7.22	-15.39	0	259.313	1.511	1	4	2	Cn1cccc1[C@H]1CCCCN1C(=O)c1nc[nH]n1
197599680	ZINC000162908281	ref	1.7	-14.45	0	306.372	2.21	1	7	4	CNC(=O)Cc1noc(-c2cnc(-c3ccsc3)s2)n1
197599683	ZINC000162902062	ref	7.58	-45.58	1	322.365	1.698	2	4	4	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1
349536033	ZINC000258965209	ref	8.49	-46.88	0	249.31	1.992	1	3	6	COc1cccc(C[N@H+](C)CC2(C(=O)[O-])CC2)c1
342599897	ZINC000616995096	mid	5.98	-41.21	1	254.374	1.426	2	2	6	C=CCOCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342084843	ZINC000608940607	ref	7.86	-16.57	0	269.247	1.737	0	3	3	COC(=O)[C@H]1C[C@H]1C(=O)N(C)c1ccc(F)c(F)c1
342084844	ZINC000625349985	ref	3.68	-12.59	0	259.371	1.393	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C1
365626021	ZINC000625049232	ref	9.18	-43.76	1	302.418	2.26	1	2	6	CCO[C@H](C[NH+]1CCN(C(=O)c2ccccc2)CC1)C1CC1
197599677	ZINC000290112953	ref	4.86	-8.49	0	275.304	1.807	0	5	3	COC(=O)[C@@H]1COCCN1Cc1ccc2occc2c1
185091233	ZINC000096081871	mid	9.81	-97.29	2	290.455	2.138	2	2	4	Cc1cc(C[N@H+]2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)nn1C
185091236	ZINC000096081871	high	7.35	-42.1	1	290.455	2.138	1	3	4	Cc1cc(CN2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)nn1C
342084845	ZINC000608943234	ref	5.58	-51.16	1	286.291	1.015	1	5	4	COC(=O)[C@H]1C[C@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
342084846	ZINC000608943234	mid	5.12	-19.07	0	286.291	1.015	1	6	4	COC(=O)[C@H]1C[C@H]1C(=O)Nc1cnn(-c2ccncc2)c1
365626041	ZINC000625049232	mid	6.77	-8.57	0	302.418	2.26	0	3	6	CCO[C@H](CN1CCN(C(=O)c2ccccc2)CC1)C1CC1
365626054	ZINC000625046508	ref	7.71	-37.57	1	309.498	2.488	2	2	9	CCC[C@@H](C)CCC[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1
365626064	ZINC000625046508	mid	5.3	-7.07	0	309.498	2.488	1	3	9	CCC[C@@H](C)CCCN1CCN([C@@H](C)C(=O)NC2CC2)CC1
365626073	ZINC000625045617	ref	3.21	-11.76	0	318.464	2.247	1	5	8	CCO[C@H](CS(=O)(=O)N[C@H](C)c1ncc(C)s1)C1CC1
282120968	ZINC000449150724	ref	6.08	-9.34	0	292.427	2.165	2	3	5	CCn1[nH]c(=NC(=O)[C@@H](CC(C)(C)C)NC)cc1C1CC1
214178838	ZINC000293498673	ref	2.41	-11.1	0	360.37	0.303	3	7	5	COC(=O)c1cnn(C)c1NC(=O)C(=O)NC[C@@H](O)c1ccccc1C
214178842	ZINC000293488381	ref	2.23	-16.03	0	370.312	0.743	3	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)OC
342084847	ZINC000608940610	ref	7.51	-9.73	0	269.247	1.737	0	3	3	COC(=O)[C@@H]1C[C@H]1C(=O)N(C)c1ccc(F)c(F)c1
168365482	ZINC000044461184	ref	1.16	-93.99	2	151.213	0.554	2	1	2	C[C@@H]([NH3+])Cc1c[nH+]ccc1N
342084848	ZINC000048331107	ref	5.48	-11.38	0	287.319	1.262	1	6	6	COC(=O)c1ccc(N(CCO)Cc2ccccc2)nn1
342084849	ZINC000608941664	ref	4.77	-13.91	0	254.24	1.486	0	4	4	Cn1ncc(C(=O)N(CC#N)C2CC2)c1C(F)F
342084850	ZINC000608941045	ref	6.59	-18.17	0	265.313	1.386	1	5	3	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccnn1C(C)(C)C
342084851	ZINC000608942412	ref	4.78	-11.17	0	291.219	1.606	1	7	3	O=C(Nc1cnoc1)c1cc([N+](=O)[O-])cc2c1OCCO2
342084852	ZINC000608942412	mid	3.85	-36.82	-1	291.219	1.606	0	7	3	O=C([N-]c1cnoc1)c1cc([N+](=O)[O-])cc2c1OCCO2
178295526	ZINC000082790973	ref	2.87	-50.83	1	261.774	2.241	1	2	5	CC[C@@H](CC[NH3+])S(=O)(=O)c1cccc(Cl)c1
349533645	ZINC000093257003	ref	3.08	-10.44	0	263.341	0.681	0	4	5	COCCN1CCN(Cc2ncccc2C)CC1=O
365626022	ZINC000623056478	ref	5.63	-45.8	1	319.796	1.475	2	4	4	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@@H]1CC[NH2+]C1
365626031	ZINC000623055162	ref	1.25	-51.92	1	316.361	1.08	4	3	3	C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@@H]1CCC[NH2+]C1
342084853	ZINC000625350016	ref	5.43	-16.71	0	292.404	1.938	1	3	2	C[C@@H](C(=O)N1CCCc2sccc2C1)[C@@H]1CCC(=O)N1
342084854	ZINC000625350284	ref	5.74	-13.3	0	292.379	1.976	1	3	5	COCCCN(C)C(=O)N[C@@H]1COc2cccc(C)c2C1
199273231	ZINC000294964430	ref	7.76	-8.38	0	272.373	3.081	0	3	2	Cc1cccc([C@@H]2CCN(C(=O)c3ccsn3)C2)c1
342084855	ZINC000608942736	ref	6.63	-14.65	0	295.346	1.254	0	5	2	Cn1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)n1
342084856	ZINC000625350393	ref	3.83	-11.49	0	281.377	1.794	1	3	4	C=C(C)CS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084857	ZINC000048335914	ref	9.88	-39.49	1	275.352	1.884	1	4	5	COC(=O)[C@@H](C)C[N@H+](C)Cc1cn2cccc(C)c2n1
342084858	ZINC000048335914	mid	9.56	-39.02	1	275.352	1.884	1	4	5	COC(=O)[C@@H](C)C[N@@H+](C)Cc1cn2cccc(C)c2n1
342084859	ZINC000048335914	mid	7.79	-15.42	0	275.352	1.884	0	5	5	COC(=O)[C@@H](C)CN(C)Cc1cn2cccc(C)c2n1
365626036	ZINC000623055162	high	-0.56	-79.4	0	316.361	1.08	3	3	3	C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCC[NH2+]C1
342084860	ZINC000048335740	ref	3.85	-6.14	0	263.75	1.432	0	6	5	COC(=O)[C@@H](C)CN(C)Cc1nnsc1Cl
342084861	ZINC000608941044	ref	6.62	-16.89	0	265.313	1.386	1	5	3	COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccnn1C(C)(C)C
342084862	ZINC000048335913	ref	9.84	-39.97	1	275.352	1.884	1	4	5	COC(=O)[C@H](C)C[N@H+](C)Cc1cn2cccc(C)c2n1
342084863	ZINC000048335913	mid	9.54	-39.68	1	275.352	1.884	1	4	5	COC(=O)[C@H](C)C[N@@H+](C)Cc1cn2cccc(C)c2n1
342084864	ZINC000048335913	mid	7.5	-11.24	0	275.352	1.884	0	5	5	COC(=O)[C@H](C)CN(C)Cc1cn2cccc(C)c2n1
342084865	ZINC000608941137	ref	5.86	-16.31	0	274.28	1.301	1	5	5	Cn1ccc(C(=O)NCCc2ccc([N+](=O)[O-])cc2)n1
342084866	ZINC000608941047	ref	6.55	-11.52	0	265.313	1.386	1	5	3	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccnn1C(C)(C)C
342084867	ZINC000608941669	ref	6.65	-25.0	0	290.319	1.417	1	4	4	COC(=O)[C@H]1C[C@H]1C(=O)Nc1ccc(N(C)C(C)=O)cc1
342084868	ZINC000625350497	ref	4.09	-10.91	0	269.37	1.49	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1
365626038	ZINC000274330319	ref	3.56	-10.74	0	270.691	1.297	1	2	2	CNC(=O)C1CN(C(=O)c2cc(F)cc(Cl)c2)C1
365626049	ZINC000274330384	ref	0.04	-9.33	0	277.296	1.075	3	5	6	O=C(NCC(F)(F)CO)c1csc(NC2CC2)n1
365626059	ZINC000263555019	ref	7.17	-62.97	-1	255.314	1.125	0	4	3	CC[C@]1(C)CN(C(=O)[C@H]2CC[C@H]2C(=O)[O-])CCO1
365626069	ZINC000274329937	ref	2.39	-14.36	0	263.326	1.606	2	5	4	Cc1nc(CCNC(=O)Nc2cncnc2)cs1
230741200	ZINC000425567120	ref	6.05	-17.87	0	315.377	2.412	1	5	5	C=CCn1cc(CNC(=O)N2CCC[C@H]2c2ccc(C)o2)nn1
197599685	ZINC000162902062	high	5.09	-12.1	0	322.365	1.698	1	5	4	Cc1cc([N+](=O)[O-])ccc1NC(=O)N1CCO[C@@H](CN(C)C)C1
365626075	ZINC000274329223	ref	3.84	-13.43	0	267.35	1.998	1	4	4	COc1ccc2c(c1)[C@@H](NC(=O)CSC)CCO2
365626089	ZINC000274329704	ref	7.79	-8.81	0	273.332	1.613	1	3	3	COC(=O)C1(C(=O)N[C@H]2CCc3ccccc3C2)CC1
365626097	ZINC000274331331	ref	6.3	-53.64	1	278.331	1.993	3	2	3	C[C@@H](NC(=O)Nc1cccc(F)n1)C1=CC[N@H+](C)CC1
365626102	ZINC000274331331	mid	6.37	-53.37	1	278.331	1.993	3	2	3	C[C@@H](NC(=O)Nc1cccc(F)n1)C1=CC[N@@H+](C)CC1
230741211	ZINC000425563475	ref	1.89	-8.63	0	305.161	2.313	2	3	5	COC[C@@H](C)C(=O)Nc1cc(C(N)=O)c(Cl)cc1Cl
365626107	ZINC000274331331	high	3.87	-16.72	0	278.331	1.993	2	3	3	C[C@@H](NC(=O)Nc1cccc(F)n1)C1=CCN(C)CC1
365626114	ZINC000637720900	ref	6.62	-13.37	0	296.411	1.709	1	3	4	CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@H]1CNC(C)=O
178295535	ZINC000237060569	mid	9.29	-95.7	2	362.493	1.794	2	2	5	C[NH2+]CC1CCN(C(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)CC1
365626126	ZINC000274328091	ref	4.32	-6.65	0	293.371	1.955	0	6	3	C[C@H](c1nccs1)N1CCN(c2ncc(F)cn2)CC1
214190330	ZINC000337635818	ref	0.05	-19.78	0	286.357	-0.143	3	4	5	CS(=O)(=O)NC[C@H]1CCC[C@@H]1NC(=O)c1cnc[nH]1
230741220	ZINC000425563282	ref	7.65	-8.62	0	316.401	2.359	2	3	6	CC[C@](CNC(=O)N[C@@H]1CC12CC2)(C(=O)OC)c1ccccc1
365626137	ZINC000274331941	ref	4.82	-11.76	0	275.308	1.407	0	4	3	COc1ccc(CN2C(=O)[C@H]3CCCCN3C2=O)nc1
365626141	ZINC000274330870	ref	1.8	-14.15	0	277.345	1.64	2	4	4	O=C(NCC1(CO)COC1)c1cccc2ccsc12
365626147	ZINC000353419054	ref	-0.75	-12.5	0	295.339	1.026	2	5	5	CNC(=O)[C@@H](NC(=O)c1ncoc1[C@H]1CCCO1)C(C)C
259308918	ZINC000306261229	ref	3.42	-5.7	0	213.306	1.683	1	5	2	Cc1nsc(N[C@H]2COCC2(C)C)n1
365626166	ZINC000274328349	ref	1.73	-13.23	0	288.351	1.856	4	3	6	Cc1n[nH]cc1CNC(=O)NCCCc1ccc(O)cc1
299072478	ZINC000358088145	high	4.56	-7.48	0	308.47	1.761	1	3	3	CCN1C[C@H](C)N(C(=O)N[C@H](C)C2=CCN(C)CC2)C[C@@H]1C
214178843	ZINC000053371911	ref	7.32	-13.37	0	328.412	3.259	1	3	5	CCCN(C(=O)[C@@H]1CCC(=O)NC1)[C@@H](C)c1cc2ccccc2o1
365626042	ZINC000623056459	ref	1.48	-53.86	1	318.377	1.769	2	5	7	COCc1nc(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)no1
365626050	ZINC000623056459	high	1.11	-11.02	0	318.377	1.769	2	6	7	COCc1nc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)no1
365626055	ZINC000623056409	ref	4.3	-48.28	1	307.785	1.603	2	4	5	C[C@H]([NH3+])CCNC(=O)c1nc(-c2ccc(Cl)cc2)nn1C
349533646	ZINC000621490371	ref	7.85	-8.59	0	294.439	3.022	1	2	3	CC(C)(C)[C@@H]1C[C@@H](NC(=O)N2CC(CC3CC3)C2)CCO1
365626061	ZINC000623056484	ref	4.33	-52.21	1	323.393	1.786	2	4	6	C[NH2+]C[C@H]1CCN(C(=O)Nc2cc(OC)c(OC)c(OC)c2)C1
365626068	ZINC000623055253	ref	5.46	-53.67	1	308.357	1.03	2	2	3	Cc1ccc(F)c(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1
197599686	ZINC000290113582	ref	7.89	-13.7	0	298.39	1.887	0	4	3	Cc1cccc(CN(C)C(=O)[C@@H]2CCc3nnn(C)c3C2)c1
365626071	ZINC000623055253	mid	4.17	-14.85	0	308.357	1.03	2	3	3	Cc1ccc(F)c(NC(=O)N(C)CC(=O)N2CCNCC2)c1
365626078	ZINC000623055680	ref	2.98	-47.41	1	316.361	1.033	3	3	3	C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1
365626080	ZINC000623055680	high	1.17	-73.44	0	316.361	1.033	2	3	3	C[NH2+]C[C@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1
365626081	ZINC000623055720	ref	1.66	-51.2	1	316.361	1.224	4	3	5	O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)C(=O)NC2=O
365626083	ZINC000623055720	high	-0.15	-76.95	0	316.361	1.224	3	3	5	O=C(NCCC[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)C(=O)[N-]C2=O
365626087	ZINC000623056079	ref	0.74	-63.29	1	311.407	1.481	3	3	3	CS(=O)(=O)c1ccc(NC(=O)NC2CCC([NH3+])CC2)cc1
365626093	ZINC000623056127	ref	1.55	-62.65	1	301.35	1.626	4	3	4	Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)[NH3+])cc2)cc(=O)[nH]1
365626099	ZINC000623056127	high	0.45	-89.8	0	301.35	1.626	3	3	4	Cc1nc(-c2ccc(NC(=O)NC[C@@H](C)[NH3+])cc2)cc(=O)[n-]1
365626104	ZINC000623055613	ref	5.91	-54.29	1	304.394	1.199	2	2	3	Cc1ccc(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)cc1C
365626108	ZINC000623055613	mid	4.61	-16.5	0	304.394	1.199	2	3	3	Cc1ccc(NC(=O)N(C)CC(=O)N2CCNCC2)cc1C
365626115	ZINC000623056264	ref	6.08	-53.2	1	319.796	1.556	1	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CC[C@H](C[NH3+])C1
282120969	ZINC000449150724	low	6.88	-30.14	1	292.427	2.165	2	2	5	CCn1[nH]c(=NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)cc1C1CC1
214178844	ZINC000293488381	mid	2.23	-16.03	0	370.312	0.743	3	6	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc2nc(C(F)F)[nH]c2c1)OC
214178847	ZINC000293491815	ref	2.14	-12.89	0	360.422	0.38	2	8	6	CCn1ncc(C(=O)NC2CCC(NC(=O)c3cnn(CC)n3)CC2)n1
342599898	ZINC000590842526	ref	6.05	-20.03	0	294.355	1.768	1	4	2	CCC(=O)N1CCCN(C(=O)Nc2c(C)noc2C)CC1
230741225	ZINC000414357965	ref	10.23	-11.7	0	303.406	3.237	0	3	6	CCCN1C(=O)N(c2ccc(CCC(C)C)cn2)C(=O)[C@@H]1C
365626046	ZINC000343774521	mid	4.89	-50.52	1	242.388	1.726	2	3	5	CC(C)(C#N)CCC[N@H+]1CCSC[C@H]1CO
210256184	ZINC000265953854	ref	0.78	-21.35	0	368.821	0.737	3	4	8	CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)N(CC(N)=O)CC(N)=O)c1
197599691	ZINC000162912380	ref	4.96	-17.26	0	309.797	2.768	2	2	3	Cc1ccc(Cl)c(NC(=O)N2CCC[C@H](CC(N)=O)C2)c1
342599899	ZINC000616995339	ref	4.33	-40.23	1	298.427	1.01	3	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](O)C2CCOCC2)C1
365626048	ZINC000343774521	high	2.82	-8.87	0	242.388	1.726	1	4	5	CC(C)(C#N)CCCN1CCSC[C@H]1CO
342599900	ZINC000616995339	mid	4.37	-40.69	1	298.427	1.01	3	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H](O)C2CCOCC2)C1
365626056	ZINC000576563512	ref	1.57	-9.42	0	217.309	0.935	2	3	6	CC[C@@H](C(=O)NC(C)(C)COC)[C@@H](C)O
342599901	ZINC000616995402	ref	7.74	-42.06	1	278.4	1.51	2	3	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCn2ccnc2)C1
349533649	ZINC000621488801	ref	6.78	-8.45	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2CCC[C@@H](C)[C@@H]2C)c1
199273232	ZINC000181262148	ref	5.69	-8.14	0	320.433	2.167	0	4	8	CO[C@H](C)CCC(=O)N(CCN1CCOCC1)c1ccccc1
365626066	ZINC000576569319	ref	7.97	-45.9	1	227.311	2.453	2	1	4	c1nc2cc(C[NH2+]C[C@H]3CC34CC4)ccc2[nH]1
214178851	ZINC000293494488	ref	5.66	-57.17	1	360.433	0.924	3	4	6	CNC(=O)[C@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1c1cnn(C)c1
214178856	ZINC000293494488	mid	5.66	-57.17	1	360.433	0.924	3	4	6	CNC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1c1cnn(C)c1
199273234	ZINC000181262148	low	8.14	-37.54	1	320.433	2.167	1	3	8	CO[C@H](C)CCC(=O)N(CC[NH+]1CCOCC1)c1ccccc1
199273236	ZINC000181263247	ref	7.27	-23.6	0	320.349	0.383	0	7	6	Cn1cnn(CC(=O)N(Cc2ccco2)C[C@@H]2CCCO2)c1=O
365626082	ZINC000576569319	mid	7.96	-50.06	1	227.311	2.453	2	1	4	c1nc2ccc(C[NH2+]C[C@H]3CC34CC4)cc2[nH]1
342599902	ZINC000616995402	mid	7.7	-41.65	1	278.4	1.51	2	3	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCn2ccnc2)C1
214178846	ZINC000053357457	ref	7.37	-18.36	0	338.411	2.237	1	3	3	O=C1C[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)CN1C1CC1
342599903	ZINC000616995402	low	8.25	-79.28	2	278.4	1.51	2	2	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1
282120970	ZINC000449151249	ref	6.57	-42.4	1	284.469	2.411	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CSC[C@@H]2C)C1
282120971	ZINC000449151253	ref	6.53	-16.67	0	267.35	2.09	1	4	5	COC(=O)C[C@@H](C)NC(=O)c1cccc(SC)c1
398247393	ZINC000651457255	ref	8.95	-7.18	0	287.407	3.334	1	2	4	CC(C)N(Cc1ccccn1)C(=O)NC1CC2(CCC2)C1
398247396	ZINC000651455353	ref	9.53	-6.87	0	284.403	3.476	1	1	1	C[C@@H]1Cc2ccccc2CN1C(=O)NC1CC2(CCC2)C1
398247399	ZINC000651457184	ref	6.82	-36.98	1	259.393	3.062	2	1	5	C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCC1(CO)CC1
398247402	ZINC000651456708	ref	9.08	-11.29	0	286.366	3.396	1	1	5	O=C(NC1CC2(CCC2)C1)N(CC(F)F)CC1CCC1
398247405	ZINC000651457228	ref	8.6	-7.62	0	262.397	3.317	1	1	3	CN(C[C@H]1CC=CCC1)C(=O)NC1CC2(CCC2)C1
299072479	ZINC000567665974	ref	5.78	-12.74	0	293.374	2.32	1	5	6	Cc1cccc(CNCc2cnnn2Cc2ccccc2)n1
398247408	ZINC000651455836	ref	7.67	-43.6	1	273.355	3.283	2	1	5	Cc1n[nH]cc1[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1
342599904	ZINC000616995402	low	8.21	-78.91	2	278.4	1.51	2	2	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCn2cc[nH+]c2)C1
342599905	ZINC000590836728	ref	2.9	-12.2	0	280.303	1.774	1	4	4	CCCc1ncc(CNC(=O)N2CC[C@](F)(C#N)C2)o1
342599906	ZINC000590837421	ref	5.18	-10.52	0	269.32	1.447	1	3	4	CO[C@H](C1CC1)[C@H](C)NC(=O)N1CC[C@](F)(C#N)C1
342599907	ZINC000590842768	ref	6.79	-7.61	0	290.363	1.889	1	4	4	COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]1c1cccnc1)C(C)(C)C
214178869	ZINC000053370619	ref	2.49	-18.23	0	325.434	0.278	0	5	2	Cc1ccc(C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)n1C
365626047	ZINC000641592986	ref	3.49	-8.08	0	274.43	1.675	0	3	2	CN1CCN(S(=O)(=O)C2CCCCC2)CC1(C)C
342599908	ZINC000590837310	ref	3.83	-12.83	0	255.293	1.059	1	3	1	CC1(C)COC[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1
342599909	ZINC000616995403	ref	7.68	-42.0	1	278.4	1.51	2	3	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCn2ccnc2)C1
342599910	ZINC000616995403	mid	7.73	-42.25	1	278.4	1.51	2	3	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCn2ccnc2)C1
398247411	ZINC000651455836	mid	7.63	-40.82	1	273.355	3.283	2	1	5	Cc1[nH]ncc1[C@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1
178295539	ZINC000237062461	ref	2.51	-56.85	1	354.476	1.069	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CC[C@H]([NH3+])C1
398247395	ZINC000285166060	ref	4.45	-14.19	0	237.263	-0.309	1	7	6	CC[C@@H](NCCn1cnc(C#N)n1)C(=O)OC
178295541	ZINC000237061394	ref	4.14	-48.72	1	368.503	1.331	2	4	6	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)CC1CC[NH2+]CC1
178295545	ZINC000237062369	ref	3.04	-47.17	1	368.503	1.459	2	4	5	CN(C)c1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H]1CCC[C@H]([NH3+])C1
178295548	ZINC000237065107	ref	7.75	-55.7	1	359.47	1.815	1	3	5	C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1
349533650	ZINC000621228851	ref	5.93	-10.44	0	266.316	2.093	1	2	5	CCC(=O)N[C@@H](C)C(=O)N(CC)c1ccccc1F
178295552	ZINC000237056310	ref	3.23	-51.4	1	355.504	1.571	2	3	9	CCS(=O)(=O)NCc1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1
349533654	ZINC000621226599	ref	4.44	-7.43	0	269.307	2.488	2	2	6	CC[C@@H](C)[C@@H](O)C(=O)NCC(C)(C)CC(F)(F)F
178295555	ZINC000237064741	ref	7.62	-50.01	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@H]2CCN(c3ccc(F)c(F)c3)C2=O)CC1
178295557	ZINC000237065189	ref	7.54	-52.88	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1
178295560	ZINC000237065383	ref	6.68	-95.98	2	362.562	1.974	3	2	4	CN1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)([NH+]2CCCCC2)CC1
178295564	ZINC000237065383	mid	7.13	-86.52	2	362.562	1.974	3	2	4	C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)(N2CCCCC2)CC1
168365484	ZINC000044461184	mid	0.7	-42.34	1	151.213	0.554	2	2	2	C[C@@H]([NH3+])Cc1cnccc1N
398247398	ZINC000285166060	low	5.52	-57.25	1	237.263	-0.309	1	6	6	CC[C@@H]([NH2+]CCn1cnc(C#N)n1)C(=O)OC
178295566	ZINC000237065383	low	9.07	-180.87	3	362.562	1.974	4	1	4	C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)([NH+]2CCCCC2)CC1
178295570	ZINC000237064162	ref	3.8	-56.28	1	360.277	1.436	2	3	6	CN(CC(=O)NC[C@H]([NH3+])C1CC1)C(=O)c1ccc(Br)s1
349533657	ZINC000621225833	ref	4.76	-8.66	0	261.247	2.185	1	3	4	CC(C)(CNC(=O)c1cncnc1)CC(F)(F)F
342599911	ZINC000616995403	low	8.19	-79.64	2	278.4	1.51	2	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1
365626051	ZINC000172846760	ref	6.12	-18.18	0	292.383	1.468	1	4	3	Cn1ccc(N2CCC[C@@H](NC(=O)CC(C)(C)C)C2=O)n1
365626060	ZINC000643088229	ref	3.62	-54.71	1	280.393	1.294	1	2	3	C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
349533660	ZINC000621228703	ref	4.46	-8.69	0	263.263	2.128	1	3	4	Cn1nccc1C(=O)NCC(C)(C)CC(F)(F)F
343994614	ZINC000599271621	ref	3.12	-7.53	0	279.34	1.264	0	6	5	COC(=O)c1cnc(CN(C)C[C@@H]2CCCCO2)cn1
342084869	ZINC000608930977	ref	6.63	-12.36	0	273.21	1.851	1	3	3	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F
365626053	ZINC000641592986	low	5.52	-42.55	1	274.43	1.675	1	2	2	C[N@@H+]1CCN(S(=O)(=O)C2CCCCC2)CC1(C)C
365626057	ZINC000641592986	low	5.7	-42.84	1	274.43	1.675	1	2	2	C[N@H+]1CCN(S(=O)(=O)C2CCCCC2)CC1(C)C
365626063	ZINC000641592901	ref	6.85	-16.85	0	289.383	1.877	1	4	2	Cc1cncnc1N[C@@H]1CCCN(C(=O)N2CCCC2)C1
342084870	ZINC000608941671	ref	5.95	-18.07	0	290.319	1.417	1	4	4	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(N(C)C(C)=O)cc1
365626070	ZINC000641592373	ref	2.95	-8.16	0	262.419	1.388	0	3	4	CC[C@H](C)CS(=O)(=O)N1CCN(C)C(C)(C)C1
342084871	ZINC000625348645	ref	5.03	-91.74	2	293.411	1.043	3	4	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCc2nccn2C1
342084872	ZINC000625348645	mid	5.37	-91.62	2	293.411	1.043	3	4	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCc2nccn2C1
342084873	ZINC000625348645	mid	5.03	-91.74	2	293.411	1.043	3	3	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCc2[nH+]ccn2C1
342084874	ZINC000625348645	mid	5.37	-91.62	2	293.411	1.043	3	3	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CCc2[nH+]ccn2C1
342084875	ZINC000608930585	ref	6.3	-13.92	0	273.292	1.849	1	5	4	CCOC(=O)c1ccccc1NC(=O)c1ccn(C)n1
342084876	ZINC000608941886	ref	8.51	-18.6	0	259.305	1.693	0	3	2	COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2ccc(C)cc21
342084877	ZINC000608943235	ref	5.56	-53.76	1	286.291	1.015	1	5	4	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
349533652	ZINC000093230977	ref	3.45	-50.87	1	253.258	0.817	2	4	6	Cc1c(NC(=O)COCC[NH3+])cccc1[N+](=O)[O-]
365626072	ZINC000641592373	low	5.12	-41.4	1	262.419	1.388	1	2	4	CC[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365626077	ZINC000641592373	low	4.99	-43.69	1	262.419	1.388	1	2	4	CC[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
342084878	ZINC000608943235	mid	5.11	-20.91	0	286.291	1.015	1	6	4	COC(=O)[C@@H]1C[C@@H]1C(=O)Nc1cnn(-c2ccncc2)c1
197599712	ZINC000162896270	ref	3.23	-13.81	0	306.156	2.284	1	2	0	C[C@@H]1C[S@@](=O)c2cc(Br)c(F)cc2NC1=O
342084879	ZINC000625350132	ref	3.06	-14.07	0	279.312	1.322	1	3	2	C[C@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@H](C)C1(F)F
342084880	ZINC000625348713	ref	8.76	-49.37	1	264.373	1.625	0	5	3	Cn1cnnc1[C@H]1CN(CC2CC(C)(C)C2)CCO1
342084881	ZINC000625348713	mid	8.12	-49.58	1	264.373	1.625	1	4	3	Cn1cnnc1[C@H]1C[N@H+](CC2CC(C)(C)C2)CCO1
342084882	ZINC000625348713	mid	8.76	-49.37	1	264.373	1.625	1	4	3	Cn1cnnc1[C@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1
197599708	ZINC000290113316	ref	10.76	-16.61	0	292.408	2.839	0	6	5	CCC(C)(C)C(=O)CSc1nnc2nc(C)cc(C)n12
365626058	ZINC000122297781	mid	5.52	-17.05	0	299.305	2.482	1	4	5	N#CCCN(Cc1cccnc1)C(=O)c1c(O)cccc1F
365626067	ZINC000122185368	ref	4.42	-24.8	0	273.336	2.313	2	3	4	CC(=O)Nc1cccc(C(=O)N[C@@](C)(C#N)C(C)C)c1
365626084	ZINC000122193818	ref	5.42	-13.73	0	258.321	2.309	0	3	4	C#CCCCCC(=O)N1CCOc2nc(C)ccc21
365626094	ZINC000122284280	ref	6.78	-13.35	0	290.411	2.34	0	4	5	CCC[C@H](C)C(=O)N(C)[C@H]1CCCN(c2cccnn2)C1
299072537	ZINC000358087407	high	6.74	-40.94	1	308.47	1.62	2	2	4	C[C@@H](NC(=O)N(C)CC1CC[NH+](C)CC1)C1=CCN(C)CC1
365626111	ZINC000122243677	ref	6.69	-6.1	0	251.37	2.496	1	2	4	CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCO[C@H](C2CC2)C1
365626118	ZINC000122274772	ref	6.9	-17.88	0	290.411	2.484	0	4	6	CCCCCC(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1
342599912	ZINC000616995403	low	8.24	-79.76	2	278.4	1.51	2	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CCn2cc[nH+]c2)C1
214178860	ZINC000293500962	ref	2.66	-15.58	0	352.387	0.843	3	6	7	CC[C@H](NC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1)C(C)(C)O
342599913	ZINC000616990757	ref	2.28	-47.45	1	298.431	1.062	4	2	7	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)CCCCNC(N)=O)C1
342599914	ZINC000616990757	mid	2.25	-46.77	1	298.431	1.062	4	2	7	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CCCCNC(N)=O)C1
342599915	ZINC000616995333	ref	4.43	-35.95	1	295.427	1.139	3	2	4	CNC(=O)C1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCC1
342599916	ZINC000616995333	mid	4.47	-36.26	1	295.427	1.139	3	2	4	CNC(=O)C1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC1
342599917	ZINC000590837045	ref	5.14	-17.14	0	265.357	1.747	1	3	1	CC1(C)COC[C@@H]1NC(=O)N1CCC[C@@](C)(C#N)C1
342599918	ZINC000616995069	ref	5.09	-47.17	1	297.443	1.529	3	2	7	CCNC(=O)CCCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342599919	ZINC000616995069	mid	5.09	-47.95	1	297.443	1.529	3	2	7	CCNC(=O)CCCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342599920	ZINC000616995254	ref	5.29	-37.87	1	268.401	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCOC2)C1
197599725	ZINC000290112119	ref	7.58	-38.2	1	297.464	3.081	1	3	11	CC[C@@H](CSC)[NH2+]Cc1ccc(COCCOC)cc1
342599921	ZINC000616995254	mid	5.34	-38.18	1	268.401	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCOC2)C1
342599922	ZINC000590837047	ref	5.17	-16.3	0	265.357	1.747	1	3	1	CC1(C)COC[C@@H]1NC(=O)N1CCC[C@](C)(C#N)C1
342599923	ZINC000590842701	ref	7.21	-8.06	0	285.384	1.897	1	4	6	COC(=O)[C@H](NC(=O)COCC1CCCC1)C(C)(C)C
342084883	ZINC000608943236	ref	5.53	-47.32	1	286.291	1.015	1	5	4	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1
342084884	ZINC000608943236	mid	5.07	-14.38	0	286.291	1.015	1	6	4	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1cnn(-c2ccncc2)c1
342084885	ZINC000625349983	ref	3.69	-12.47	0	259.371	1.393	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCO2)C1
342084886	ZINC000608930978	ref	5.9	-8.08	0	273.21	1.851	1	3	3	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(F)c1F
342084887	ZINC000625349986	ref	3.79	-12.41	0	259.371	1.393	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCO2)C1
342084888	ZINC000625350129	ref	3.06	-13.57	0	279.312	1.322	1	3	2	C[C@@H]1CN(S(=O)(=O)c2c[nH]cn2)C[C@@H](C)C1(F)F
342084889	ZINC000608929661	ref	4.92	-24.16	0	296.348	1.54	2	5	6	COC(=O)c1ccc(SCCCC(=O)NC(N)=O)cc1
178295588	ZINC000082791014	ref	2.32	-57.75	1	292.198	1.96	1	2	4	CC[C@@H](C[NH3+])S(=O)(=O)c1cccc(Br)c1
168365485	ZINC000368506620	ref	11.85	-50.92	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21
178295591	ZINC000082791014	high	2.0	-8.81	0	292.198	1.96	1	3	4	CC[C@@H](CN)S(=O)(=O)c1cccc(Br)c1
361823046	ZINC000612425018	ref	6.28	-40.87	1	318.461	2.389	3	2	8	CC[C@H](C)[C@H](O)CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1
178295593	ZINC000082790624	ref	1.71	-53.86	1	251.71	1.6	1	2	3	C[C@H](C[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1
178295594	ZINC000082790624	high	1.24	-10.31	0	251.71	1.6	1	3	3	C[C@H](CN)S(=O)(=O)c1ccc(F)c(Cl)c1
361823057	ZINC000612423375	ref	2.24	-11.55	0	324.358	2.169	1	7	7	CCOc1nc(C(=O)N[C@H](CC(=O)OC)c2cccs2)co1
342084890	ZINC000608941807	ref	5.71	-7.82	0	286.441	1.939	2	3	7	CCS[C@H](C(=O)NCC(=O)NC1CCCC1)C(C)C
342084891	ZINC000048336461	ref	3.53	-15.14	0	261.325	1.005	1	4	7	CCNC(=O)CN(C)CCOc1cccc(C#N)c1
342084892	ZINC000048336461	mid	5.77	-48.41	1	261.325	1.005	2	3	7	CCNC(=O)C[N@H+](C)CCOc1cccc(C#N)c1
342084893	ZINC000048336461	mid	5.78	-48.88	1	261.325	1.005	2	3	7	CCNC(=O)C[N@@H+](C)CCOc1cccc(C#N)c1
342084894	ZINC000608941668	ref	5.95	-18.74	0	290.319	1.417	1	4	4	COC(=O)[C@@H]1C[C@H]1C(=O)Nc1ccc(N(C)C(C)=O)cc1
342084895	ZINC000608930980	ref	5.9	-8.04	0	273.21	1.851	1	3	3	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(F)c1F
259308920	ZINC000306278827	ref	5.39	-4.75	0	210.668	1.17	1	4	2	C#C[C@@H](C)N(C)c1ncnc(N)c1Cl
342084896	ZINC000625349966	ref	4.38	-14.43	0	270.354	1.711	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)Cc2cc(C)no2)C1
342084897	ZINC000608941887	ref	8.5	-11.42	0	259.305	1.693	0	3	2	COC(=O)[C@H]1C[C@@H]1C(=O)N1CCc2ccc(C)cc21
398247400	ZINC000097159557	ref	4.18	-50.22	1	236.319	0.82	2	2	6	Cc1n[nH]cc1C[NH2+]CCCN1CCCC1=O
365626062	ZINC000354690248	ref	3.36	-18.69	0	284.406	1.199	1	4	4	C[C@H](Sc1ccccn1)C(=O)N[C@H]1CC[S@@](=O)C1
365626074	ZINC000354691210	ref	7.8	-9.05	0	292.379	1.87	0	4	5	CCO[C@H]1C[C@H](N(C)C(=O)C(=O)c2cccn2C)C1(C)C
365626090	ZINC000354689439	ref	4.0	-47.46	1	299.411	1.629	2	4	6	COC(=O)CC1([NH2+]C[C@@H](O)C2CCCCC2)CCOCC1
365626096	ZINC000354690821	ref	5.61	-13.43	0	293.371	1.106	1	5	3	CO[C@@H]1CCCN(C(=O)N[C@@H](C)c2nnc3n2CCC3)C1
178295576	ZINC000237058889	ref	3.65	-51.37	1	367.515	1.638	2	3	6	CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
365626106	ZINC000354690746	ref	4.74	-43.58	1	295.427	1.282	2	2	5	CC(C)[C@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365626116	ZINC000354689469	ref	3.13	-20.94	0	283.397	1.088	1	4	4	Cc1cc(C)n([C@H](C)CC(=O)N[C@H]2CC[S@](=O)C2)n1
168365486	ZINC000020216758	ref	0.98	-50.88	1	187.189	1.345	2	1	2	C[C@@H]([NH3+])[C@@H](O)c1ccc(F)c(F)c1
178295577	ZINC000237058889	high	3.33	-13.12	0	367.515	1.638	2	4	6	CC[C@H](C)[C@@H](N)C(=O)NC1CCN(S(=O)(=O)c2ccc(C)cc2)CC1
168365489	ZINC000043297053	ref	0.04	-41.61	1	131.219	0.741	2	1	1	C[C@@H]([NH3+])[C@@H](O)C(C)(C)C
178295580	ZINC000237062279	ref	10.0	-54.16	1	356.47	1.943	1	4	6	CC[NH2+]CC1CCN(C(=O)CCn2cnc3c(C)cccc3c2=O)CC1
365626124	ZINC000354690627	ref	4.72	-8.65	0	284.278	1.968	2	3	6	CCOC(=O)CC[C@@H](C)NC(=O)N[C@@H](C)C(F)(F)F
230741256	ZINC000414359354	ref	5.56	-14.89	0	320.414	3.048	1	4	4	Cc1ccc(NCc2ccoc2C)cc1N1CCCS1(=O)=O
365626132	ZINC000354689461	ref	3.11	-15.7	0	283.397	1.088	1	4	4	Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CC[S@](=O)C2)n1
365626139	ZINC000354690660	ref	7.14	-20.55	0	299.378	1.463	1	5	5	CCc1ccc(C(=O)NCCc2nnc3n2CCC3)c(C)n1
230741261	ZINC000414358364	ref	6.54	-8.98	0	324.327	3.143	1	3	6	C=CCC[C@H]1NC(=O)N(c2cc(F)c(OC(C)C)c(F)c2)C1=O
199273233	ZINC000294963687	ref	4.79	-40.08	1	284.306	1.6	2	2	7	C[C@H]([NH2+]C1CC1)C(=O)NCCOc1ccc(F)c(F)c1
168365491	ZINC000029555413	ref	-7.44	-49.23	0	185.116	-1.809	4	4	3	C[C@@H]([NH3+])[C@@H](O)[C@@H](O)[P@@](=O)([O-])O
365626151	ZINC000354688919	ref	2.57	-10.14	0	291.395	1.988	3	3	5	Cc1cncc(CNC(=O)NC[C@@H]2CCC[C@H](CO)C2)c1
365626157	ZINC000354689941	ref	6.25	-14.91	0	280.29	1.844	1	2	3	CC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)CC(F)(F)F
365626167	ZINC000354689570	ref	0.58	-10.06	0	258.362	1.263	3	3	8	COCC1(NC(=O)NCCC[C@H](C)CO)CCC1
398247401	ZINC000097159557	mid	4.1	-50.02	1	236.319	0.82	2	2	6	Cc1[nH]ncc1C[NH2+]CCCN1CCCC1=O
365626065	ZINC000172849431	ref	3.55	-17.42	0	296.392	1.36	1	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N(C)C2CC2)cc1
365626076	ZINC000172848828	ref	5.54	-18.86	0	278.356	1.078	1	4	2	Cn1ccc(N2CCC[C@H](NC(=O)C(C)(C)C)C2=O)n1
214178864	ZINC000293494106	ref	2.92	-18.4	0	373.457	0.996	1	7	8	COCCn1nnc2c1CCN([C@@H](C)C(=O)NCc1cccc(OC)c1)C2
178295582	ZINC000237059330	ref	7.53	-56.88	1	351.397	1.776	1	2	4	C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CC1
214178871	ZINC000293495824	ref	0.38	-13.57	0	371.187	0.298	2	5	3	COC(=O)c1cc(Br)cc(C(=O)N2CC[C@@](O)(C(N)=O)C2)c1
178295586	ZINC000237060958	ref	4.2	-64.18	1	361.49	1.497	2	4	4	CN1C(=O)CC[C@@H](C(=O)NCC2([NH3+])CCCCCC2)[C@@H]1c1cnn(C)c1
214178874	ZINC000293497586	ref	1.95	-14.62	0	355.803	0.842	2	5	2	C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(C#N)cc2Cl)CCS1(=O)=O
214178879	ZINC000293499509	ref	0.36	-12.06	0	369.487	0.514	3	4	7	CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1
178295587	ZINC000237057525	ref	2.64	-60.13	1	353.488	1.325	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)cc1
178295589	ZINC000237056950	ref	2.91	-40.91	1	353.488	1.468	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1
178295592	ZINC000237059967	ref	4.07	-54.37	1	373.906	1.466	2	3	7	CN(CC(=O)NCC[C@@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1
178295595	ZINC000237067272	ref	5.89	-54.81	1	373.478	1.866	1	3	4	Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CC[NH2+]CC3)cc2)cc1
178295598	ZINC000237067272	mid	4.61	-13.9	0	373.478	1.866	1	4	4	Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N3CCNCC3)cc2)cc1
230741249	ZINC000425567637	ref	4.33	-20.28	0	318.483	2.325	2	3	6	CC(C)(C)[C@H]1CCC[C@H]1NC(=O)NCCCCS(C)(=O)=O
365626092	ZINC000172844742	ref	6.58	-20.63	0	291.395	1.944	1	3	5	CC(C)CC(=O)NCCC(=O)N1CCn2cccc2[C@@H]1C
178295600	ZINC000237058868	ref	5.8	-62.13	1	373.478	1.947	1	3	5	CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[NH2+]CC2)c1
178295602	ZINC000237058868	mid	4.52	-12.12	0	373.478	1.947	1	4	5	CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCNCC2)c1
230741253	ZINC000425567048	ref	5.75	-13.48	0	323.466	2.185	2	5	7	C=CCn1cc(CNC(=O)NC2CCC(CSC)CC2)nn1
178295603	ZINC000237064396	ref	4.91	-54.41	1	367.515	1.491	2	3	6	C[NH2+]C1CCN(C(=O)CCNS(=O)(=O)c2c(C)cc(C)cc2C)CC1
398247404	ZINC000097159557	high	2.82	-13.02	0	236.319	0.82	2	3	6	Cc1n[nH]cc1CNCCCN1CCCC1=O
342599924	ZINC000590840524	ref	5.66	-12.12	0	283.347	1.84	1	3	5	N#C[C@]1(F)CCN(C(=O)NCCOCC2CCCC2)C1
349533653	ZINC000621490053	ref	6.65	-10.24	0	294.37	3.164	1	2	4	CC[C@H]1[C@H](C)CCN1C(=O)NCc1cc(OC)ccc1F
365626079	ZINC000249881589	ref	3.81	-8.78	0	257.374	1.667	1	3	6	CCCCN(CCO)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C
342599925	ZINC000590836689	ref	8.28	-62.8	-1	288.355	1.617	1	4	1	Cc1cc(C)n2[n-]c(=NC(=O)NC3(C)CCCC3)nc2n1
230741257	ZINC000425564510	ref	3.05	-20.72	0	304.456	2.079	2	3	7	CC[C@@H]1CC[C@@H](NC(=O)NCCCCS(C)(=O)=O)CC1
349533658	ZINC000621486979	ref	8.03	-43.94	1	284.403	3.405	2	1	6	CC(C)[NH2+]CCC(=O)N[C@@H](C)c1ccc2ccccc2c1
342599926	ZINC000616990687	ref	5.2	-40.63	1	264.373	1.27	2	3	3	Cn1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342599927	ZINC000616990687	mid	5.14	-40.3	1	264.373	1.27	2	3	3	Cn1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
432002783	ZINC000129220840	ref	7.29	-6.47	0	317.433	3.064	1	3	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C)nc1C
365626085	ZINC000479753939	ref	3.29	-10.27	0	284.4	1.46	2	3	3	CC(C)[C@H]1C[C@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)CCO1
197599726	ZINC000162904151	ref	9.92	-49.62	-1	313.329	2.344	0	6	6	CCn1c(Cc2ccc(F)c(F)c2)nnc1SCC(=O)[O-]
342599928	ZINC000616995617	ref	5.69	-42.16	1	256.39	1.648	2	2	4	COC(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214725062	ZINC000062613190	ref	6.34	-19.51	0	349.412	1.697	0	6	4	CC(=O)c1cccc(S(=O)(=O)N2CCN(c3cc(C)on3)CC2)c1
342599929	ZINC000616995617	mid	5.63	-41.71	1	256.39	1.648	2	2	4	COC(C)(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599930	ZINC000590836809	ref	4.41	-12.27	0	291.326	1.922	2	3	3	CC1(C)COC[C@@H]1NC(=O)NCc1ccc(C#N)cc1F
133428056	ZINC000306429841	ref	2.02	-9.95	0	185.223	0.092	1	3	3	C=C[C@@H](C)NC(=O)[C@@H]1COCCO1
398247406	ZINC000097159431	ref	4.6	-34.21	1	236.363	1.682	3	2	5	Cc1n[nH]cc1CNCC1([NH+](C)C)CCCC1
365626095	ZINC000641592574	ref	4.41	-46.43	1	292.445	1.015	0	4	6	CCOC[C@H](C)CS(=O)(=O)N1CCN(C)C(C)(C)C1
365626100	ZINC000641592574	low	4.55	-44.06	1	292.445	1.015	1	3	6	CCOC[C@H](C)CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365626105	ZINC000641592574	low	4.41	-46.43	1	292.445	1.015	1	3	6	CCOC[C@H](C)CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
190492601	ZINC000269420708	ref	8.12	-15.7	0	297.301	2.061	0	3	4	COC(=O)C[C@H]1CCCN1C(=O)Cc1cccc(F)c1F
342599931	ZINC000616995338	ref	4.05	-41.76	1	298.427	1.01	3	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](O)C2CCOCC2)C1
365626109	ZINC000641592866	ref	4.33	-6.72	0	275.274	1.782	1	4	2	Cc1cncnc1N1CC[C@@H](C(F)(F)F)[C@@H](CO)C1
178295606	ZINC000237068420	ref	5.33	-53.02	1	358.236	1.325	1	3	4	C[NH2+]C1CCN(C(=O)CN(C)C(=O)c2ccc(Br)o2)CC1
214178866	ZINC000278476204	ref	10.11	-13.0	0	305.422	3.135	1	4	6	CCCCO[C@H](C)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2
168365487	ZINC000368506620	mid	11.36	-51.81	1	339.483	3.476	1	3	6	Cc1nccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21
168365488	ZINC000368506620	mid	12.32	-92.59	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21
214178870	ZINC000278478239	low	2.31	-13.48	0	324.274	2.132	2	4	7	COc1cc(NCCNC(=O)[C@H](F)C(F)(F)F)cc(OC)c1
178295608	ZINC000237064223	ref	5.46	-58.84	1	368.275	1.779	2	2	5	C[NH2+]C1CCN(C(=O)CCNC(=O)c2ccc(Br)cc2)CC1
214178872	ZINC000278478239	low	2.31	-13.49	0	324.274	2.132	2	4	7	COc1cc(NCCNC(=O)C(F)C(F)(F)F)cc(OC)c1
214178876	ZINC000278478126	ref	1.09	-9.3	0	312.728	2.493	2	4	5	CCc1ocnc1C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1
214178880	ZINC000278477290	ref	3.49	-22.34	0	315.167	1.576	2	3	5	CC(=O)C[C@@H](C)NC(=O)Cc1cc[nH]c(=O)c1Br
178295612	ZINC000237058173	ref	2.87	-58.55	1	353.488	1.245	3	3	8	CCS(=O)(=O)NCc1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1
214178883	ZINC000278477871	ref	7.87	-53.1	1	313.376	2.42	1	2	5	Cc1nc(F)ccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C1=O
214178886	ZINC000278477871	mid	6.66	-11.19	0	313.376	2.42	1	3	5	Cc1nc(F)ccc1CN[C@@H]1CCN(Cc2ccccc2)C1=O
178295615	ZINC000237063191	ref	6.57	-51.13	1	364.49	1.335	2	3	5	CC[NH2+]CC1CCN(C(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1
178295618	ZINC000237065135	ref	4.28	-49.59	1	358.236	1.23	2	3	5	CN(CC(=O)NC[C@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)o1
361823058	ZINC000351631381	mid	6.53	-37.34	1	298.427	1.419	2	3	6	CC[N@H+]1CCO[C@H](C(=O)NCCO[C@H]2CCCC[C@H]2C)C1
214178888	ZINC000278476207	ref	4.57	-46.27	1	302.216	2.23	1	3	3	Cn1ncc(Br)c1C[NH2+][C@@H]1CCOC(C)(C)C1
398247409	ZINC000097159431	mid	3.87	-41.82	1	236.363	1.682	2	2	5	Cc1n[nH]cc1C[NH2+]CC1(N(C)C)CCCC1
214178891	ZINC000278476207	high	3.36	-6.49	0	302.216	2.23	1	4	3	Cn1ncc(Br)c1CN[C@@H]1CCOC(C)(C)C1
214178893	ZINC000278477435	ref	1.19	-10.65	0	313.285	1.397	3	5	5	O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@]1(CCO)CCOC1
214178898	ZINC000278477698	ref	7.46	-41.03	1	308.422	2.738	2	3	7	COC(C)(C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1
178305686	ZINC000065492419	low	8.84	-34.54	1	224.267	2.432	0	3	1	Cc1cc2[nH+]cn(-c3cncnc3)c2cc1C
365626086	ZINC000576569259	ref	2.48	-11.59	0	237.365	1.208	1	3	6	CCC[C@@H](C)S(=O)(=O)N(C)CC(C)(C)O
365626088	ZINC000576565096	ref	5.77	-14.3	0	206.289	1.985	1	2	4	CC1(C)C[C@@]1(C#N)NC(=O)CCC1CC1
365626101	ZINC000576568456	ref	4.42	-9.3	0	205.273	1.523	1	2	7	CO[C@H](CC(C)C)C(=O)NCCCF
365626113	ZINC000576569121	ref	-0.04	-43.5	1	211.265	-1.011	3	2	3	CC[C@@H]1C[C@H]1NC(=O)C(=O)NC1C[NH2+]C1
365626122	ZINC000576569121	high	-1.71	-5.38	0	211.265	-1.011	3	3	3	CC[C@@H]1C[C@H]1NC(=O)C(=O)NC1CNC1
365626127	ZINC000576568960	ref	0.2	-18.5	0	249.274	-0.708	2	5	4	NC(=O)Cn1cc(C(=O)N[C@H]2[C@H]3CCC[C@H]32)nn1
365626135	ZINC000175939410	ref	5.55	-12.16	0	248.232	2.921	1	2	2	Cc1cc(C(=O)Nc2ccncc2)c(F)cc1F
365626148	ZINC000175936976	ref	4.79	-9.73	0	240.347	1.855	1	2	3	CC[C@@H]1CCN(C(=O)NCC2CCOCC2)C1
365626156	ZINC000576569607	ref	3.59	-46.82	1	239.363	1.474	3	1	3	C[C@H]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1
197599735	ZINC000290110553	ref	10.31	-14.03	0	260.345	2.025	1	6	4	Cn1ccc(Nc2nnc(CC3CCCC3)n2C)n1
365626161	ZINC000576564995	ref	1.62	-37.82	-1	243.332	1.086	0	5	4	CC[C@@H]1OCC[C@H]1N=c1[n-]nc(COC)s1
365626171	ZINC000576568359	ref	6.51	-7.7	0	249.276	3.12	0	1	1	CC1(C)CCN1C(=O)C1(C(F)(F)F)CCCC1
365626183	ZINC000576567493	ref	-0.39	-13.78	0	232.243	0.746	1	5	4	Cc1cnc(C(=O)NCCc2cnccn2)o1
365626197	ZINC000576566555	ref	3.71	-41.59	1	235.356	1.328	2	3	4	c1nc(C2CC2)sc1CN[C@H]1[C@@H]2C[NH2+]C[C@@H]21
342084898	ZINC000625350282	ref	5.72	-13.36	0	292.379	1.976	1	3	5	COCCCN(C)C(=O)N[C@H]1COc2cccc(C)c2C1
365626207	ZINC000576566555	low	5.01	-108.4	2	235.356	1.328	2	2	4	c1nc(C2CC2)sc1C[NH2+][C@H]1[C@@H]2C[NH2+]C[C@@H]21
365626214	ZINC000576563510	ref	0.31	-6.35	0	217.309	0.935	2	3	6	CC[C@@H](C(=O)NC(C)(C)COC)[C@H](C)O
365626221	ZINC000576566307	ref	3.81	-8.42	0	241.253	2.118	1	2	6	CCOCCC(=O)NCC(C)(C)C(F)(F)F
365626230	ZINC000576566045	ref	3.9	-8.88	0	223.276	0.81	1	4	5	CCO[C@@H]1C[C@@H]1NC(=O)c1nccn1CC
365626239	ZINC000576568817	ref	6.07	-39.55	1	209.293	1.17	1	3	6	CCO[C@H]1C[C@H]1[NH2+]Cc1cncn1CC
365626247	ZINC000576568817	mid	4.77	-7.19	0	209.293	1.17	1	4	6	CCO[C@H]1C[C@H]1NCc1cncn1CC
342084899	ZINC000608942910	ref	6.99	-9.21	0	267.247	1.596	0	3	5	CCN(CCC(F)(F)F)C(=O)[C@H]1C[C@@H]1C(=O)OC
342084900	ZINC000608941636	ref	5.08	-14.71	0	260.253	1.258	1	5	4	Cn1ccc(C(=O)NCc2cccc([N+](=O)[O-])c2)n1
342084901	ZINC000625348715	ref	8.32	-49.28	1	264.373	1.625	0	5	3	Cn1cnnc1[C@@H]1CN(CC2CC(C)(C)C2)CCO1
365626256	ZINC000576566767	ref	8.13	-31.5	1	248.345	3.279	1	1	5	Fc1cccnc1C[NH2+]C(C1CCC1)C1CCC1
365626091	ZINC000625045617	high	3.07	-45.65	-1	318.464	2.247	0	5	8	CCO[C@H](CS(=O)(=O)[N-][C@H](C)c1ncc(C)s1)C1CC1
342599932	ZINC000616995338	mid	4.12	-42.0	1	298.427	1.01	3	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H](O)C2CCOCC2)C1
342599933	ZINC000616995332	ref	4.47	-36.35	1	295.427	1.139	3	2	4	CNC(=O)C1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CCC1
230741272	ZINC000425568062	ref	3.43	-9.34	0	308.378	2.166	2	4	7	C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](COC)c1ccc(C)o1
365626098	ZINC000625045107	ref	6.32	-12.32	0	310.438	2.004	2	3	9	CCO[C@H](C(=O)NCCNC(=O)CC1CCCCC1)C1CC1
365626110	ZINC000625047490	ref	7.1	-18.93	0	305.422	2.115	1	2	2	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1CCC2(CCC2)CC1
365626121	ZINC000625049283	ref	6.35	-11.84	0	312.435	2.048	0	4	9	CCO[C@@H](CS(=O)(=O)N(CC)Cc1ccccn1)C1CC1
365626129	ZINC000625045521	ref	2.24	-13.35	0	320.361	2.194	1	4	7	CC1(CNS(=O)(=O)c2cccnc2OCC(F)F)CCC1
342599934	ZINC000616995332	mid	4.41	-36.42	1	295.427	1.139	3	2	4	CNC(=O)C1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCC1
365626134	ZINC000625045521	high	2.26	-54.48	-1	320.361	2.194	0	4	7	CC1(C[N-]S(=O)(=O)c2cccnc2OCC(F)F)CCC1
365626143	ZINC000625046117	ref	7.17	-19.72	0	319.449	2.36	1	2	2	CC1(C)CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@@H]2CCC[C@H]21
365626152	ZINC000625046313	ref	6.8	-35.97	1	322.424	2.31	1	3	6	CO[C@@H](CN1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1
365626160	ZINC000625046313	mid	4.57	-5.14	0	322.424	2.31	0	4	6	CO[C@@H](CN1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1
365626168	ZINC000625046313	low	6.99	-38.85	1	322.424	2.31	1	3	6	CO[C@@H](C[NH+]1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1
365626176	ZINC000625046436	ref	3.7	-10.23	0	319.386	2.015	0	5	4	CC(C)Oc1cncc(S(=O)(=O)N2CCc3cnccc32)c1
365626185	ZINC000625046436	low	4.17	-43.17	1	319.386	2.015	0	4	4	CC(C)Oc1cncc(S(=O)(=O)N2CCc3c[nH+]ccc32)c1
365626194	ZINC000625049672	ref	7.9	-10.18	0	310.442	2.299	0	6	6	COC[C@@]1(C)CN(c2nnc(C(C)C)n2CC(C)C)CCO1
222609343	ZINC000125796617	ref	4.32	-12.02	0	342.399	1.643	2	5	5	Cn1cc(NC(=O)C(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)cn1
365626205	ZINC000625046512	ref	7.65	-37.36	1	309.498	2.488	2	2	9	CCC[C@H](C)CCC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1
342599935	ZINC000590836374	ref	5.53	-24.84	0	269.308	1.869	1	4	1	Cc1nn(C)c2cc(NC(=O)N3CC(C#N)C3)ccc12
282120973	ZINC000449150545	ref	6.08	-54.92	-1	273.373	2.055	1	4	8	COC[C@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]
178295610	ZINC000268804341	ref	4.83	-35.11	1	247.338	3.081	2	2	4	Cc1cc2cc([C@@H](C)[NH2+][C@H](C)CO)oc2cc1C
178295617	ZINC000268804341	high	3.74	-8.31	0	247.338	3.081	2	3	4	Cc1cc2cc([C@@H](C)N[C@H](C)CO)oc2cc1C
222609335	ZINC000222492300	ref	5.3	-19.73	0	396.896	2.717	1	4	7	COc1ccc(CCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1
365626103	ZINC000643088204	ref	3.46	-54.0	1	280.393	1.674	1	2	3	C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C2CC2)cc1
365626112	ZINC000172846767	ref	6.16	-17.2	0	292.383	1.468	1	4	3	Cn1ccc(N2CCC[C@H](NC(=O)CC(C)(C)C)C2=O)n1
214178873	ZINC000053370464	ref	7.25	-10.26	0	327.428	2.17	0	4	5	Cc1ccc(C(=O)N2CCN(CCOc3ccccc3)CC2)n1C
365626119	ZINC000172846011	ref	1.41	-17.94	0	295.364	1.843	1	6	5	Cc1cccc(NCc2nc(CS(C)(=O)=O)no2)c1C
168365490	ZINC000368506620	mid	11.83	-92.43	2	339.483	3.476	1	2	6	Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21
398247412	ZINC000390749878	ref	7.09	-33.9	1	225.376	3.114	1	1	6	COC1(C[NH2+][C@@H](C)CC2CCC2)CCCC1
282120974	ZINC000449150753	ref	7.04	-37.63	1	268.426	2.013	1	2	3	C[C@H]([NH2+]C1CC1)C(=O)N1CCS[C@@H]2CCCC[C@H]21
282120975	ZINC000449150753	high	5.9	-5.9	0	268.426	2.013	1	3	3	C[C@H](NC1CC1)C(=O)N1CCS[C@@H]2CCCC[C@H]21
398247416	ZINC000390750699	ref	1.96	-93.68	2	211.309	-0.147	3	1	3	CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1
178295625	ZINC000002143276	ref	11.72	-6.83	0	242.321	5.455	0	0	0	Cc1cc2cc3ccccc3cc2c2ccccc12
136228707	ZINC000283932382	ref	7.9	-12.65	0	245.322	2.075	0	2	6	CC#CC(=O)N(C)CCCOCc1ccccc1
342084902	ZINC000625348715	mid	8.62	-49.19	1	264.373	1.625	1	4	3	Cn1cnnc1[C@@H]1C[N@H+](CC2CC(C)(C)C2)CCO1
342084903	ZINC000625348715	mid	8.32	-49.28	1	264.373	1.625	1	4	3	Cn1cnnc1[C@@H]1C[N@@H+](CC2CC(C)(C)C2)CCO1
168365492	ZINC000368505443	ref	7.66	-13.46	0	332.338	3.084	1	4	4	N#Cc1cc(C(=O)NCc2ncc(-c3ccccc3)cn2)ccc1F
398249359	ZINC000651463551	ref	5.86	-43.36	1	277.408	3.082	2	2	8	COc1cccc([C@@H]2C[C@@H]([NH2+][C@H](C)CCCCO)C2)c1
178295643	ZINC000013998604	ref	7.26	-6.68	0	205.688	3.813	0	1	0	Cc1cc2ccc(C)c(C)c2nc1Cl
178295647	ZINC000000153914	ref	7.28	-10.15	0	205.169	2.01	0	4	1	Cc1cc2cc([N+](=O)[O-])ccc2oc1=O
342084904	ZINC000625350321	ref	4.62	-14.27	0	255.343	1.007	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cn(C)cn2)C1
342084905	ZINC000625350415	ref	4.52	-11.82	0	276.336	1.34	1	3	1	Cc1cccc2c1C[C@@H](NC(=O)N1CCOCC1)CO2
349533656	ZINC000093237157	ref	-0.94	-13.08	0	268.313	0.503	3	4	8	COc1ccc(COCCNC(=O)NCCO)cc1
214178877	ZINC000053370464	low	9.5	-45.48	1	327.428	2.17	1	3	5	Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)n1C
349533663	ZINC000093259234	ref	1.14	-10.48	0	271.361	0.801	1	4	2	C[C@H]1CN(CC(N)=O)[C@H](C)CN1C(=O)OC(C)(C)C
199273235	ZINC000294963687	high	3.66	-10.95	0	284.306	1.6	2	3	7	C[C@H](NC1CC1)C(=O)NCCOc1ccc(F)c(F)c1
365626117	ZINC000641592535	ref	3.91	-5.2	0	262.357	1.084	0	5	2	Cc1cncnc1N1C[C@H](N2CCOCC2)C[C@@H]1C
230741311	ZINC000425565419	ref	5.68	-17.11	0	314.393	2.152	1	5	7	C=CCn1cc(CNC(=O)N(CC)[C@@H](C)c2cccnc2)nn1
214178882	ZINC000053355925	ref	5.25	-13.08	0	332.404	1.277	2	3	3	CC(=O)N1CCCN(C(=O)[C@@H](C)NC(=O)Nc2ccccc2)CC1
214178887	ZINC000053355923	ref	5.18	-13.46	0	332.404	1.277	2	3	3	CC(=O)N1CCCN(C(=O)[C@H](C)NC(=O)Nc2ccccc2)CC1
214178892	ZINC000053372389	ref	6.37	-19.23	0	327.384	1.485	0	5	2	Cc1nn(CC(=O)N2CCO[C@H]3CCC[C@@H]32)c(=O)c2ccccc12
214178896	ZINC000053358138	ref	6.46	-23.23	0	340.383	1.765	1	4	4	O=C1CCC(=O)N1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
168365493	ZINC000368501914	ref	8.04	-42.91	1	336.505	3.254	2	3	5	CCCC[NH+]1CCC(NC(=O)N2CCC[C@H]2c2nccs2)CC1
168365494	ZINC000368504416	ref	7.2	-9.83	0	328.412	3.453	1	3	2	Cc1oc2ccccc2c1CNC(=O)N1CC[C@@]2(CCCOC2)C1
365626120	ZINC000641592535	mid	6.1	-37.41	1	262.357	1.084	1	4	2	Cc1cncnc1N1C[C@H]([NH+]2CCOCC2)C[C@@H]1C
342599936	ZINC000590844564	ref	2.98	-7.94	0	252.358	1.947	3	2	6	O=C(NCCC1=CCCCC1)NC[C@@H](O)C1CC1
342599937	ZINC000590845266	ref	6.7	-14.19	0	285.351	1.825	1	4	3	O=C(NCc1ccccn1)N1CCC[C@H](n2ccnc2)C1
214178910	ZINC000053371917	ref	7.36	-14.18	0	328.412	3.259	1	3	5	CCCN(C(=O)[C@H]1CCC(=O)NC1)[C@@H](C)c1cc2ccccc2o1
168365496	ZINC000368503438	ref	9.01	-12.24	0	329.412	3.209	0	3	7	O=C(CSCCCCF)N1CCO[C@@H](c2ccc(F)cc2)C1
342599938	ZINC000590845266	low	7.41	-37.34	1	285.351	1.825	1	3	3	O=C(NCc1ccccn1)N1CCC[C@H](n2cc[nH+]c2)C1
342599939	ZINC000590844691	ref	5.36	-19.1	0	292.404	1.86	0	3	2	Cc1ccc(C(=O)N2CC[S@@](=O)[C@H](C)C2)c(C2CC2)n1
342599940	ZINC000445972886	ref	4.89	-8.39	0	270.373	1.786	1	3	5	C=C(C)COCCNC(=O)N1C[C@H](C)O[C@@H](C)[C@@H]1C
342599941	ZINC000590846782	ref	3.99	-9.84	0	253.346	1.095	2	2	4	CC(C)NC(=O)CNC(=O)N1CCC[C@H]1C1CC1
282120976	ZINC000449151325	ref	8.21	-52.33	1	278.331	2.039	2	3	5	CCC[NH2+][C@H](C)C(=O)Nc1nc2c(F)cccc2n1C
342084906	ZINC000608942346	ref	4.53	-12.12	0	279.321	1.126	1	6	4	COC(=O)[C@H](NC(=O)c1ccn(C)n1)c1cccs1
365626123	ZINC000623056263	ref	6.07	-53.14	1	319.796	1.556	1	4	3	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)N1CC[C@@H](C[NH3+])C1
365626128	ZINC000623056313	ref	4.06	-43.21	1	313.199	1.456	2	3	6	CC[NH2+]CCNC(=O)c1nc(C2CC2)ncc1Br
342084907	ZINC000616407807	ref	1.36	-8.41	0	298.427	1.155	3	3	6	COCC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CCCC[C@@H]2O)C1
342084908	ZINC000616407807	mid	4.17	-41.34	1	298.427	1.155	3	3	6	COCC[N@H+]1CCC[C@H](NC(=O)C[C@H]2CCCC[C@@H]2O)C1
365626136	ZINC000623055172	ref	3.97	-51.96	1	311.183	1.29	1	3	2	[NH3+][C@H]1CCN(C(=O)c2nc(C3CC3)ncc2Br)C1
342084909	ZINC000616407807	high	1.36	-8.41	0	298.427	1.155	2	4	6	COCCN1CCC[C@H](NC(=O)C[C@H]2CCCC[C@@H]2O)C1
342084910	ZINC000608941885	ref	8.51	-17.45	0	259.305	1.693	0	3	2	COC(=O)[C@H]1C[C@H]1C(=O)N1CCc2ccc(C)cc21
342084911	ZINC000608941046	ref	6.55	-11.51	0	265.313	1.386	1	5	3	COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccnn1C(C)(C)C
282120977	ZINC000449151325	high	6.97	-20.86	0	278.331	2.039	2	4	5	CCCN[C@H](C)C(=O)Nc1nc2c(F)cccc2n1C
282120978	ZINC000449150310	ref	4.25	-43.22	1	279.38	2.489	2	3	5	CC(C)(CCO)[NH2+]Cc1ccc2c(c1)OCCCCO2
365626144	ZINC000623056134	ref	5.9	-44.18	1	319.796	1.617	2	4	4	Cn1nc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@H]1CCC[NH2+]1
365626149	ZINC000623055295	ref	6.04	-54.3	1	304.394	1.199	2	2	3	Cc1cc(C)cc(NC(=O)N(C)CC(=O)N2CC[NH2+]CC2)c1
365626154	ZINC000623055295	mid	4.74	-16.41	0	304.394	1.199	2	3	3	Cc1cc(C)cc(NC(=O)N(C)CC(=O)N2CCNCC2)c1
342084912	ZINC000625350203	ref	3.77	-7.7	0	270.329	1.807	0	3	4	C=CC[C@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1
365626158	ZINC000623056460	ref	1.48	-54.24	1	318.377	1.769	2	5	7	COCc1nc(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)no1
342084913	ZINC000048331333	ref	5.86	-14.29	0	281.312	1.408	1	7	8	COC(=O)CCCCCNc1ccc(C(=O)OC)nn1
342084914	ZINC000608942909	ref	7.14	-15.39	0	267.247	1.596	0	3	5	CCN(CCC(F)(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)OC
349533659	ZINC000618812307	ref	4.26	-32.67	0	278.337	1.351	0	6	4	CC(=O)c1csc(C(=O)N(C)Cc2cn(C)nn2)c1
365626164	ZINC000623056460	high	1.03	-10.7	0	318.377	1.769	2	6	7	COCc1nc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)no1
342084915	ZINC000625350498	ref	4.08	-11.19	0	269.37	1.49	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2cnn(CC)c2)C1
343994616	ZINC000599271621	mid	5.08	-45.91	1	279.34	1.264	1	5	5	COC(=O)c1cnc(C[N@H+](C)C[C@@H]2CCCCO2)cn1
365626125	ZINC000641592867	ref	4.13	-6.07	0	275.274	1.782	1	4	2	Cc1cncnc1N1CC[C@H](C(F)(F)F)[C@H](CO)C1
365626131	ZINC000641593109	ref	4.1	-13.45	0	266.366	1.515	1	3	6	O=S(=O)(CC1CC1)NC[C@@H]1C[C@H]1c1cccnc1
342084916	ZINC000048335109	ref	5.46	-13.44	0	275.352	1.347	0	4	7	CCN(CCOc1ccc(C#N)cc1)CC(=O)N(C)C
365626140	ZINC000479762177	ref	2.71	-51.71	1	282.409	1.968	2	2	5	CC[C@H](C)c1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1
365626145	ZINC000641592902	ref	6.9	-11.65	0	289.383	1.877	1	4	2	Cc1cncnc1N[C@H]1CCCN(C(=O)N2CCCC2)C1
365626150	ZINC000641593070	ref	0.8	-12.04	0	292.314	1.178	2	4	3	C[C@@]1(C[C@H]2CCCN2c2ccncc2F)NC(=O)NC1=O
365626155	ZINC000641593070	low	1.26	-46.3	1	292.314	1.178	2	3	3	C[C@@]1(C[C@H]2CCCN2c2cc[nH+]cc2F)NC(=O)NC1=O
290623554	ZINC000492531785	ref	4.94	-20.53	0	295.342	2.07	2	3	5	Cc1ccc(/C=C\C(=O)Nc2ccc(CC(N)=O)cc2)nc1
365626159	ZINC000641592309	ref	1.65	-9.5	0	283.397	1.105	0	4	2	Cc1ccncc1S(=O)(=O)N1CCN(C)C(C)(C)C1
290623557	ZINC000492531783	ref	4.31	-17.12	0	295.342	2.07	2	3	5	Cc1ccc(/C=C/C(=O)Nc2ccc(CC(N)=O)cc2)nc1
365626165	ZINC000641592309	low	3.92	-46.14	1	283.397	1.105	1	3	2	Cc1ccncc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365626169	ZINC000641592309	low	3.82	-45.6	1	283.397	1.105	1	3	2	Cc1ccncc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365626175	ZINC000641592440	ref	3.54	-9.08	0	266.366	1.583	1	3	3	CNS(=O)(=O)c1ccccc1N1CCC[C@H]2C[C@H]21
365626180	ZINC000641592950	ref	0.83	-8.49	0	290.285	1.571	2	4	3	OCc1ccnc(N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1
342084917	ZINC000048335109	mid	7.54	-47.39	1	275.352	1.347	1	3	7	CC[N@H+](CCOc1ccc(C#N)cc1)CC(=O)N(C)C
342084918	ZINC000048335109	mid	7.54	-49.22	1	275.352	1.347	1	3	7	CC[N@@H+](CCOc1ccc(C#N)cc1)CC(=O)N(C)C
342084919	ZINC000625350219	ref	3.78	-7.52	0	270.329	1.807	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cncc(F)c2)C1
342084920	ZINC000616407808	ref	1.33	-10.22	0	298.427	1.155	3	3	6	COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCC[C@@H]2O)C1
342084921	ZINC000616407808	mid	3.64	-40.52	1	298.427	1.155	3	3	6	COCC[N@H+]1CCC[C@@H](NC(=O)C[C@H]2CCCC[C@@H]2O)C1
342084922	ZINC000616407808	high	1.33	-10.22	0	298.427	1.155	2	4	6	COCCN1CCC[C@@H](NC(=O)C[C@H]2CCCC[C@@H]2O)C1
342084923	ZINC000625350394	ref	3.76	-11.37	0	281.377	1.794	1	3	4	C=C(C)CS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
365626130	ZINC000172844341	ref	6.29	-13.63	0	294.376	1.568	1	4	5	COc1ccccc1O[C@@H](C)CN1C(=O)[C@@H](C)NC1=S
214178881	ZINC000293499509	high	0.36	-12.06	0	369.487	0.514	2	5	7	CN(C)S(=O)(=O)c1ccc(C(=O)N[C@@H](CO)CN2CCCCC2)cc1
214178885	ZINC000293488643	ref	1.54	-13.05	0	352.412	0.386	1	5	2	O=C(Nc1ccc([C@@H]2CCOC2)cc1)C(=O)N1CCS(=O)(=O)CC1
342084924	ZINC000625349545	ref	4.61	-7.48	0	296.383	1.796	0	2	2	C[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@@H](C)C1(F)F
214178895	ZINC000293495482	ref	3.25	-9.5	0	374.441	0.763	2	6	2	O=C(Nc1cccnc1N1CCOCC1)C(=O)N1CC[C@H](O)C12CCCC2
214178897	ZINC000293488750	ref	1.39	-18.13	0	355.46	0.935	3	4	8	CCc1cccc(CC)c1NC(=O)C(=O)NCCCCS(N)(=O)=O
214178902	ZINC000293492734	ref	3.91	-52.87	1	373.45	0.445	1	6	5	COC(=O)c1cc(S(=O)(=O)NC[C@@H]2CN(C)CCN2C)c(C)cc1F
214178905	ZINC000293492734	low	3.46	-53.6	1	373.45	0.445	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C)cc1F
214178908	ZINC000293492734	low	3.46	-53.6	1	373.45	0.445	2	5	5	COC(=O)c1cc(S(=O)(=O)NC[C@@H]2C[N@@H+](C)CCN2C)c(C)cc1F
214178912	ZINC000293503725	ref	6.53	-12.37	0	363.37	0.736	0	8	3	COC(=O)C1=NOC2(CCN(C(=O)c3ccc(C(=O)OC)n3C)CC2)C1
214178916	ZINC000293489179	ref	3.34	-22.16	0	367.402	0.016	3	7	7	CCOC(=O)Cn1cccc(NC(=O)C(=O)N[C@H](CC)C(C)(C)O)c1=O
214178921	ZINC000293496557	ref	7.53	-51.14	1	359.47	0.603	2	3	7	C[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@@H](O)Cc1ccccc1
214178928	ZINC000293496557	mid	5.22	-15.73	0	359.47	0.603	2	3	7	C[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@@H](O)Cc1ccccc1
214178933	ZINC000293496557	mid	5.22	-15.73	0	359.47	0.603	1	4	7	CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@@H](O)Cc1ccccc1
342084925	ZINC000625349544	ref	4.64	-8.36	0	296.383	1.796	0	2	2	C[C@@H]1CCN(S(=O)(=O)N2C[C@@H](C)C(F)(F)[C@H](C)C2)C1
342084926	ZINC000625349320	ref	-0.24	-11.8	0	265.269	1.261	1	6	5	COc1nc(C(=O)NCCc2c(C)noc2C)co1
342084927	ZINC000625349519	ref	7.63	-40.75	1	268.401	1.744	1	2	6	CCO[C@@H](C[N@@H+]1CCN(CC)C(=O)C1(C)C)C1CC1
342084928	ZINC000625349519	mid	7.71	-38.56	1	268.401	1.744	1	2	6	CCO[C@@H](C[N@H+]1CCN(CC)C(=O)C1(C)C)C1CC1
342084929	ZINC000625349519	mid	5.25	-7.86	0	268.401	1.744	0	3	6	CCO[C@@H](CN1CCN(CC)C(=O)C1(C)C)C1CC1
342084930	ZINC000625349421	ref	4.35	-9.95	0	273.398	1.783	0	3	6	C=CC[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C1
365626133	ZINC000122196748	ref	5.35	-7.68	0	290.407	2.444	1	3	5	COCC(C)(C)C(=O)NC1CCN(c2ccccc2)CC1
230741323	ZINC000425566311	ref	4.73	-10.02	0	312.373	2.053	2	4	5	CCn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc(C)cc2)c(C(N)=O)n1
365626146	ZINC000122303507	ref	3.05	-4.72	0	265.357	2.269	0	5	5	CCO[C@@H]1CCCN(c2cncc(OC(C)C)n2)C1
365626163	ZINC000122241283	ref	5.45	-45.7	1	258.431	2.168	2	2	7	CSCCC(=O)NCC[NH2+]C1CCCCCC1
342599942	ZINC000590845932	ref	4.75	-43.0	1	283.416	1.271	3	2	3	CC(C)[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
178295623	ZINC000237065404	ref	6.47	-96.2	2	362.562	1.974	3	2	4	CN1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)([NH+]2CCCCC2)CC1
365626178	ZINC000122297317	ref	6.85	-15.35	0	296.374	2.218	0	4	3	CN(C(=O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1
349533661	ZINC000621489063	ref	7.07	-9.1	0	294.37	3.022	1	2	3	COc1ccc(F)c(CNC(=O)N2CC[C@H](C)[C@H](C)C2)c1
365626191	ZINC000122216108	ref	7.31	-43.55	1	265.401	2.161	2	2	3	CC(C)[NH+]1CCC(C(=O)N[C@@H](C#N)C(C)(C)C)CC1
342599943	ZINC000590845932	mid	2.32	-9.13	0	283.416	1.271	2	3	3	CC(C)[C@H](C)NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1
178295627	ZINC000237065404	mid	6.92	-87.17	2	362.562	1.974	3	2	4	C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)(N2CCCCC2)CC1
214178901	ZINC000278477698	mid	5.47	-9.77	0	308.422	2.738	1	4	7	COC(C)(C)CC(=O)NC[C@@H](c1ccco1)N1CCCCC1
214178904	ZINC000278478170	ref	4.09	-41.8	1	318.461	2.3	2	3	5	C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)CCO1
178295629	ZINC000237065404	low	8.85	-181.76	3	362.562	1.974	4	1	4	C[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)([NH+]2CCCCC2)CC1
342599944	ZINC000590845228	ref	5.4	-13.31	0	266.345	1.266	1	4	5	COCCCNC(=O)N1CCC[C@@H](n2ccnc2)C1
214178909	ZINC000278478170	mid	6.56	-100.35	2	318.461	2.3	3	2	5	C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)CCO1
214178913	ZINC000278478170	mid	6.52	-99.45	2	318.461	2.3	3	2	5	C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)CCO1
178295632	ZINC000237062674	ref	6.49	-58.88	1	365.499	1.298	1	3	5	C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)CC1
178295635	ZINC000237059207	ref	7.74	-58.15	1	359.47	1.815	1	3	5	C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(c3cc(C)ccc3OC)C2)CC1
178305687	ZINC000050194623	ref	6.62	-52.54	1	217.276	0.9	1	4	1	Cc1cc2nnc(C3CC[NH2+]CC3)n2cn1
365626206	ZINC000122241943	ref	8.47	-41.18	1	299.484	2.254	2	2	4	CC(C)C[NH+]1CCC(NC(=O)N(C)[C@H]2CCSC2)CC1
214178906	ZINC000337606333	ref	2.86	-13.09	0	263.297	0.563	2	4	7	O=C(COCC1CC1)NCC(=O)Nc1cccnc1
214178911	ZINC000337609982	ref	5.13	-40.41	1	284.4	0.715	2	3	3	C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1
365626138	ZINC000643088206	ref	3.79	-55.2	1	280.393	1.674	1	2	3	C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)c1ccc(C2CC2)cc1
365626142	ZINC000172846711	ref	6.96	-12.69	0	292.314	1.391	1	5	7	C[C@@H](CNC(=O)CCn1cncn1)Oc1cccc(F)c1
365626153	ZINC000172849012	ref	3.38	-9.63	0	294.326	1.235	2	3	6	CNC(=O)C1(C(=O)NC[C@@H](C)Oc2cccc(F)c2)CC1
365626162	ZINC000172848910	ref	5.75	-25.68	0	278.356	1.078	1	4	4	CC(C)CC(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
214178915	ZINC000337609982	mid	5.13	-37.75	1	284.4	0.715	2	3	3	C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CCC[N@H+]([C@@H](C)CO)CC1
214178919	ZINC000337609982	mid	3.5	-9.82	0	284.4	0.715	1	4	3	C[C@H]1C[C@@H](C)O[C@@H]1C(=O)N1CCCN([C@@H](C)CO)CC1
365626172	ZINC000172848049	ref	1.91	-9.28	0	264.26	1.141	2	4	5	C[C@@H](CNC(=O)c1cn[nH]n1)Oc1cccc(F)c1
365626181	ZINC000172848049	mid	1.97	-11.37	0	264.26	1.141	2	4	5	C[C@@H](CNC(=O)c1cnn[nH]1)Oc1cccc(F)c1
214178923	ZINC000337606866	ref	1.41	-14.16	0	281.316	0.877	2	5	6	CC(C)c1n[nH]c(C(=O)NCCN2CCC2)c1[N+](=O)[O-]
342084931	ZINC000625351384	ref	5.93	-12.33	0	296.411	1.52	0	3	3	COCCC1CCN(C(=O)C(=O)N2CCC[C@H](C)C2)CC1
199273237	ZINC000294963070	ref	3.3	-41.98	1	264.703	2.229	2	2	6	CC[C@H]([NH2+]Cc1cccnc1Cl)[C@@H](O)C(F)F
133428058	ZINC000306429842	ref	2.01	-9.9	0	185.223	0.092	1	3	3	C=C[C@H](C)NC(=O)[C@@H]1COCCO1
342084932	ZINC000625348867	ref	2.53	-13.13	0	299.392	1.253	1	4	5	CO[C@@H](C)CS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
342084933	ZINC000625351725	ref	1.77	-10.7	0	284.381	1.131	2	3	4	Cc1cccc2c1C[C@@H](NS(=O)(=O)NC(C)C)CO2
342084934	ZINC000625349383	ref	3.81	-9.99	0	298.408	1.475	1	3	5	CCN(CC)S(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084935	ZINC000625348868	ref	2.81	-12.84	0	299.392	1.253	1	4	5	CO[C@H](C)CS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084936	ZINC000625351613	ref	3.21	-11.45	0	255.343	1.007	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1
342084937	ZINC000625350682	ref	4.37	-37.25	1	285.428	1.669	4	3	6	C[N@H+](C[C@H](O)CC1(O)CCC1)CC1(O)CCCCCC1
342084938	ZINC000625350682	mid	4.14	-36.59	1	285.428	1.669	4	3	6	C[N@@H+](C[C@H](O)CC1(O)CCC1)CC1(O)CCCCCC1
342084939	ZINC000625349006	ref	2.79	-11.36	0	293.344	1.87	1	4	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)c1ccoc1)CO2
342084940	ZINC000625348920	ref	4.16	-8.63	0	299.383	1.964	0	3	5	CC(C)OCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
168365495	ZINC000029555413	mid	-7.44	-49.23	0	185.116	-1.809	4	4	3	C[C@@H]([NH3+])[C@@H](O)[C@@H](O)[P@](=O)([O-])O
230741340	ZINC000425564289	ref	5.39	-16.47	0	319.331	2.213	1	4	4	C[C@H](CNC(=O)N1CCC[C@@H](n2ccnn2)C1)CC(F)(F)F
349533662	ZINC000621225814	ref	2.81	-12.08	0	282.306	2.127	2	2	8	CC(C)(CNC(=O)CCCCC(N)=O)CC(F)(F)F
365626170	ZINC000623056104	ref	2.33	-49.42	1	312.345	1.95	2	4	5	C[C@H]([NH3+])CCNC(=O)c1nnc(-c2c(F)cccc2F)s1
365626177	ZINC000623056103	ref	2.33	-49.41	1	312.345	1.95	2	4	5	C[C@@H]([NH3+])CCNC(=O)c1nnc(-c2c(F)cccc2F)s1
178295636	ZINC000237057036	ref	2.12	-50.01	1	353.488	1.468	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1
214178914	ZINC000053362301	ref	7.09	-16.14	0	334.441	2.074	1	4	4	COc1cc(CNC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)ccc1C
214178918	ZINC000053365313	ref	3.35	-19.93	0	328.372	0.509	1	5	3	C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)Cn1c(=O)cnc2ccccc21
178295639	ZINC000237061583	ref	8.09	-61.49	-1	360.435	1.88	1	5	8	CN(CC(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-])C(=O)c1cccs1
178295642	ZINC000237057698	ref	5.32	-53.65	1	361.486	1.718	2	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1
185091238	ZINC000096081693	ref	3.91	-13.02	0	290.367	0.355	0	5	3	Cn1ccc(C(=O)N2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)n1
185091240	ZINC000096081693	low	5.79	-45.84	1	290.367	0.355	1	4	3	Cn1ccc(C(=O)N2C[C@@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)n1
214178922	ZINC000053359861	ref	9.01	-32.95	1	348.447	0.894	2	6	6	Cn1c(N)c(C(=O)C[N@H+](CC2CCCCC2)C2CC2)c(=O)n(C)c1=O
214178926	ZINC000053359861	mid	8.96	-32.73	1	348.447	0.894	2	6	6	Cn1c(N)c(C(=O)C[N@@H+](CC2CCCCC2)C2CC2)c(=O)n(C)c1=O
214178930	ZINC000053359861	mid	7.48	-9.1	0	348.447	0.894	1	7	6	Cn1c(N)c(C(=O)CN(CC2CCCCC2)C2CC2)c(=O)n(C)c1=O
214178934	ZINC000053357675	ref	7.7	-18.4	0	338.436	3.414	1	4	4	O=C(CSc1ccncc1)N1CCC[C@H]1c1nc2ccccc2[nH]1
178295646	ZINC000237057698	high	5.0	-15.47	0	361.486	1.718	2	4	7	CC[C@H](C)[C@@H](N)C(=O)NC1CCN(C(=O)Cc2ccccc2OC)CC1
178295649	ZINC000237066526	ref	5.51	-50.54	1	350.85	1.941	2	2	4	C[NH2+]C[C@H]1CCCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1
214178938	ZINC000053373184	ref	10.64	-38.93	1	348.45	3.21	2	3	5	Cc1cccc2nc(C(=O)NC[C@H](c3ccccc3)[NH+]3CCCC3)cn12
349533665	ZINC000621226725	ref	1.96	-50.8	-1	279.262	2.132	2	3	4	Cc1n[nH]c(C(=O)NCC(C)(C)CC(F)(F)F)c1[O-]
214178917	ZINC000278477843	ref	4.08	-47.32	1	301.39	1.812	2	4	6	Cc1nn(-c2ccccc2)cc1C[NH2+][C@]1(CCO)CCOC1
214178920	ZINC000278477843	high	3.17	-9.58	0	301.39	1.812	2	5	6	Cc1nn(-c2ccccc2)cc1CN[C@]1(CCO)CCOC1
214178924	ZINC000278478005	ref	4.86	-16.62	0	324.446	1.639	1	3	5	CCS(=O)(=O)NCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C
365626173	ZINC000274328349	low	1.69	-12.79	0	288.351	1.856	4	3	6	Cc1[nH]ncc1CNC(=O)NCCCc1ccc(O)cc1
230741345	ZINC000414356939	ref	5.64	-9.79	0	314.414	3.376	1	6	6	Cc1cc(CNc2cccc(OCc3cscn3)c2)nn1C
365626179	ZINC000274329350	ref	4.14	-11.25	0	265.332	1.521	0	3	3	CN(C)C(=O)C1CCN(Cc2cncc(F)c2)CC1
365626189	ZINC000274329350	mid	6.33	-54.6	1	265.332	1.521	1	2	3	CN(C)C(=O)C1CC[NH+](Cc2cncc(F)c2)CC1
342084941	ZINC000625351549	ref	4.04	-10.8	0	281.377	1.77	1	3	3	Cc1cccc2c1C[C@H](NS(=O)(=O)C1(C)CC1)CO2
214178927	ZINC000278476899	ref	7.38	-12.86	0	301.386	3.133	1	3	3	Cc1ccc2c(CC(=O)N[C@H]3CCOC[C@H]3C)coc2c1C
214178932	ZINC000278475998	ref	6.48	-20.19	0	323.462	2.342	0	4	5	C=CCCS(=O)(=O)N1CCC[C@@H]1c1nc2c(n1C)CCCC2
398247413	ZINC000651455836	high	6.72	-6.7	0	273.355	3.283	2	2	5	Cc1n[nH]cc1[C@H](C)NC1(Cc2ccc(F)cc2)CC1
398247415	ZINC000651455265	ref	8.61	-9.43	0	278.421	3.265	1	2	4	CN(CCc1cccs1)C(=O)NC1CC2(CCC2)C1
342084942	ZINC000625349271	ref	2.51	-11.18	0	299.392	1.253	1	4	5	COC[C@@H](C)S(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
365626196	ZINC000637720898	ref	6.52	-13.88	0	296.411	1.709	1	3	4	CC[C@@H]1OCCC[C@@H]1C(=O)N1CCCC[C@@H]1CNC(C)=O
365626201	ZINC000274329562	ref	1.44	-13.28	0	288.351	1.641	4	3	6	Cc1n[nH]cc1CNC(=O)NCC[C@@H](O)c1ccccc1
365626211	ZINC000274329562	mid	1.39	-12.87	0	288.351	1.641	4	3	6	Cc1[nH]ncc1CNC(=O)NCC[C@@H](O)c1ccccc1
398247418	ZINC000651456022	ref	8.65	-7.5	0	252.402	3.397	1	1	5	CC[C@@H](C)CN(CC)C(=O)NC1CC2(CCC2)C1
168365497	ZINC000029555413	mid	-6.33	-113.59	-1	185.116	-1.809	3	5	3	C[C@@H]([NH3+])[C@@H](O)[C@@H](O)P(=O)([O-])[O-]
168365499	ZINC000043292112	ref	4.06	-28.25	1	184.327	1.842	2	1	3	C[C@@H](N)[C@@H]([N@H+](C)C1CC1)C(C)(C)C
259308923	ZINC000306278827	low	5.85	-34.09	1	210.668	1.17	1	3	2	C#C[C@@H](C)N(C)c1nc[nH+]c(N)c1Cl
342084943	ZINC000625349627	ref	4.5	-8.66	0	270.354	1.878	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1
342084944	ZINC000625348849	ref	3.94	-13.05	0	297.367	1.718	0	3	3	C[C@@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H](C)C1(F)F
342088575	ZINC000121344120	low	7.41	-41.25	1	253.346	1.286	1	3	9	CCCCCOCC(=O)NCCc1c[nH+]cn1C
199273238	ZINC000181265826	ref	4.79	-52.88	1	307.394	1.957	3	3	8	CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC(=O)NC(N)=O
199273240	ZINC000181265826	mid	3.7	-17.61	0	307.394	1.957	3	4	8	CCOc1ccccc1[C@@H](CC(C)C)NCC(=O)NC(N)=O
178295637	ZINC000082790998	ref	2.48	-56.58	1	292.198	1.818	1	2	4	C[C@@H](C[NH3+])CS(=O)(=O)c1cccc(Br)c1
342084945	ZINC000616407810	ref	3.65	-40.5	1	298.427	1.155	3	3	6	COCC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1
365626174	ZINC000354690280	ref	4.49	-10.24	0	298.427	1.369	0	4	4	CCN1CCO[C@H](C(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)C1
230741353	ZINC000450467333	ref	4.59	-10.22	0	310.35	1.474	1	6	5	CCOC(=O)c1cc(C(=O)N(C)C[C@@H]2CCCC[C@@H]2O)on1
230741356	ZINC000450468334	ref	5.74	-19.74	0	320.364	1.598	2	3	4	O=C(N[C@@H]1CCCN(c2ccccc2F)C1=O)[C@@H](O)C1CCC1
342084946	ZINC000616407810	mid	4.17	-41.05	1	298.427	1.155	3	3	6	COCC[N@H+]1CCC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1
342084947	ZINC000616407810	high	1.36	-8.52	0	298.427	1.155	2	4	6	COCCN1CCC[C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1
342084948	ZINC000625349008	ref	2.7	-11.12	0	293.344	1.87	1	4	3	Cc1cccc2c1C[C@H](NS(=O)(=O)c1ccoc1)CO2
342084949	ZINC000625349543	ref	4.61	-7.5	0	296.383	1.796	0	2	2	C[C@H]1CCN(S(=O)(=O)N2C[C@H](C)C(F)(F)[C@H](C)C2)C1
168365498	ZINC000368501550	ref	9.64	-49.56	1	332.423	3.038	1	4	6	COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCCn3c(C)nnc32)cc1F
365626186	ZINC000354690280	mid	6.9	-49.16	1	298.427	1.369	1	3	4	CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)C1
365626195	ZINC000354690280	mid	6.8	-40.76	1	298.427	1.369	1	3	4	CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[C@](C)(OC)C2(C)C)C1
299072482	ZINC000354604407	ref	1.15	-17.9	0	339.461	0.801	1	5	7	C[C@@H](CC[S@@](C)=O)NC(=O)c1ccc(CN2CCOCC2)cn1
168365781	ZINC000043335423	ref	-0.9	-40.57	1	198.266	0.592	2	3	5	C[C@@H]([NH3+])[C@@H](c1ccco1)N(C)CCO
342084950	ZINC000625349546	ref	4.62	-8.36	0	296.383	1.796	0	2	2	C[C@H]1CN(S(=O)(=O)N2CC[C@@H](C)C2)C[C@H](C)C1(F)F
342084951	ZINC000625351455	ref	4.76	-4.42	0	294.395	1.175	1	3	2	C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)C[C@@H](C)O1
342084952	ZINC000625349464	ref	4.75	-11.39	0	273.398	1.783	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C1
199273241	ZINC000181260988	ref	5.06	-25.25	0	322.283	1.402	1	5	8	COCCCOCC(=O)Nc1cccn(CC(F)(F)F)c1=O
343994617	ZINC000599271621	mid	5.48	-43.3	1	279.34	1.264	1	5	5	COC(=O)c1cnc(C[N@@H+](C)C[C@@H]2CCCCO2)cn1
343994619	ZINC000599272068	ref	3.73	-9.17	0	298.364	1.565	0	6	6	COC(=O)[C@@H](C)CN(C(=O)c1cc(OC)ns1)C1CC1
365626182	ZINC000623055609	ref	7.84	-39.37	1	303.41	1.439	1	4	3	Cn1nc(C2CC2)nc1C(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]1
365626188	ZINC000623055641	ref	2.46	-43.42	1	304.213	1.635	2	3	3	O=C(NC[C@H]1CCC[NH2+]C1)c1ncc(Br)s1
365626193	ZINC000623055161	ref	1.52	-52.66	1	316.361	1.08	4	3	3	C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@H]1CCC[NH2+]C1
197599765	ZINC000290113597	ref	6.6	-11.42	0	274.295	2.764	0	4	6	C#CCCCc1nc(Cc2ccc(OC)c(F)c2)no1
230741354	ZINC000425568026	ref	3.71	-13.32	0	318.373	2.106	2	4	6	C=CCC1(C(=O)Nc2cccc(C(N)=O)c2OC)CCOCC1
365626200	ZINC000623055161	high	-0.29	-80.37	0	316.361	1.08	3	3	3	C[C@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@H]1CCC[NH2+]C1
365626208	ZINC000623055962	ref	2.71	-52.94	1	311.407	1.306	2	3	3	C[NH2+][C@@H]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365626215	ZINC000623055369	ref	6.24	-31.66	1	304.394	1.219	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cn1
365626224	ZINC000623055160	ref	1.52	-52.56	1	316.361	1.08	4	3	3	C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)NC2=O)[C@@H]1CCC[NH2+]C1
230741368	ZINC000425564190	ref	6.82	-9.88	0	302.418	2.431	1	2	3	C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1
342084953	ZINC000625351382	ref	5.93	-11.51	0	296.411	1.52	0	3	3	COCCC1CCN(C(=O)C(=O)N2CCC[C@@H](C)C2)CC1
300266049	ZINC000414719875	mid	8.99	-94.96	2	250.43	2.885	2	0	2	C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C)[C@H]3CCCC[C@H]32)CC[NH2+]1
230741374	ZINC000425564488	ref	5.3	-15.45	0	317.368	2.206	2	4	7	C=CCn1cc(CNC(=O)NC[C@@H](C)c2ccc(F)cc2)nn1
230741378	ZINC000425564173	ref	3.61	-9.37	0	318.417	2.173	3	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](CO)c1ccc(CC)cc1
230741385	ZINC000425564866	ref	8.05	-14.7	0	313.405	2.238	1	4	8	C=CCn1cc(CNC(=O)N(CC)CCc2ccccc2)nn1
185091241	ZINC000096081693	low	6.08	-42.34	1	290.367	0.355	1	4	3	Cn1ccc(C(=O)N2C[C@@H]3OCC[N@@H+](CC4CC4)[C@@H]3C2)n1
230741388	ZINC000425568097	ref	6.5	-13.07	0	316.405	2.286	1	4	4	CON1CCC(NC(=O)N(C)[C@H](C)c2cccc(C#N)c2)CC1
342084954	ZINC000625349273	ref	2.49	-11.17	0	299.392	1.253	1	4	5	COC[C@H](C)S(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084955	ZINC000625351660	ref	3.54	-9.02	0	281.381	1.559	1	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cc(C)cnc2N)C1
342084956	ZINC000625349378	ref	2.54	-11.79	0	255.339	1.238	1	3	3	CCS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084957	ZINC000625349139	ref	3.48	-8.08	0	285.356	1.574	0	3	4	COC[C@H](C)S(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
178295651	ZINC000237057501	ref	4.62	-52.6	1	358.442	1.171	3	4	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ccc21
398247420	ZINC000651455798	ref	6.17	-43.18	1	265.372	3.042	2	1	8	C[C@H](CCCCO)[NH2+]C1(Cc2ccc(F)cc2)CC1
178295655	ZINC000237057501	high	3.27	-21.98	0	358.442	1.171	3	5	6	CCN(CC)C(=O)Cn1ccc2cc(NC(=O)[C@H]3C[C@@H](O)CN3)ccc21
349533664	ZINC000618812498	ref	6.93	-25.01	0	288.351	1.549	0	5	5	Cc1ccc(O[C@H](C)C(=O)N(C)Cc2cn(C)nn2)cc1
365626184	ZINC000641592950	low	1.12	-33.88	1	290.285	1.571	2	3	3	OCc1cc[nH+]c(N2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1
365626190	ZINC000479753487	ref	-0.12	-10.96	0	267.329	1.314	2	4	3	Cc1cnc([C@@H](C)NC(=O)N2C[C@@H](C)[C@H](CO)C2)o1
342084958	ZINC000625351386	ref	4.41	-17.87	0	259.309	1.491	1	3	3	O=C(NC1CCC1)c1cncc(N2CCCC2=O)c1
295666655	ZINC000362416330	ref	7.62	-7.42	0	268.426	2.856	1	2	2	O=C(NC[C@@H]1CCCS1)N1CCC[C@@H]2CCC[C@H]21
398247422	ZINC000651455776	ref	6.59	-9.83	0	270.38	3.252	1	4	3	Cc1ccc([C@H](C)N[C@@H]2C[C@H](C)n3ccnc32)c(C)n1
178295656	ZINC000237063322	ref	6.74	-47.61	1	358.53	1.652	1	3	7	CC[NH2+]CC1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1
178295660	ZINC000237063322	mid	9.0	-87.97	2	358.53	1.652	2	2	7	CC[NH2+]CC1CCN(C(=O)CN2CC[NH+](Cc3ccccc3)CC2)CC1
178295662	ZINC000237062747	ref	6.33	-52.94	1	358.442	1.988	3	3	6	CC[NH2+]Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O
365626199	ZINC000641592345	ref	8.29	-9.31	0	255.325	1.977	1	5	3	c1nc(N[C@H]2CCc3cncn3C2)cc(C2CC2)n1
365626203	ZINC000641592345	mid	8.81	-38.19	1	255.325	1.977	1	4	3	c1nc(N[C@H]2CCc3c[nH+]cn3C2)cc(C2CC2)n1
398247423	ZINC000651455776	mid	7.74	-47.53	1	270.38	3.252	1	3	3	Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)n3ccnc32)c(C)n1
365626210	ZINC000641592868	ref	4.02	-6.84	0	275.274	1.782	1	4	2	Cc1cncnc1N1CC[C@@H](C(F)(F)F)[C@H](CO)C1
365626216	ZINC000641592724	ref	5.97	-10.14	0	255.325	1.866	0	5	2	Cn1nccc1-c1ccc(N2CCC[C@@H]3C[C@@H]32)nn1
365626223	ZINC000641592563	ref	4.53	-45.35	1	266.382	1.092	0	3	5	CN1CCN(S(=O)(=O)CCCCF)CC1(C)C
342084959	ZINC000625349246	ref	4.94	-10.41	0	267.341	1.949	0	2	3	C[C@H]1CN(S(=O)(=O)CC2CC2)C[C@@H](C)C1(F)F
342084960	ZINC000625349016	ref	3.84	-11.42	0	281.377	1.794	1	3	5	C=CCCS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
342084961	ZINC000625349396	ref	3.78	-9.51	0	298.408	1.475	1	3	5	CCCN(C)S(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
282120979	ZINC000248959947	ref	1.32	-8.9	0	324.812	1.484	2	6	7	C[C@H](O)CN(Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)CO
282120982	ZINC000248959947	low	2.45	-36.86	1	324.812	1.484	3	5	7	C[C@H](O)C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)CO
282120984	ZINC000248959947	low	3.7	-37.79	1	324.812	1.484	3	5	7	C[C@H](O)C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)[C@H](C)CO
342599945	ZINC000590845228	low	6.11	-37.08	1	266.345	1.266	1	3	5	COCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
342599946	ZINC000616997575	ref	6.07	-52.28	1	295.346	1.172	2	3	5	N#Cc1ccc(CN2CC[C@@H]([NH2+]Cc3cn[nH]c3)C2=O)cc1
299072483	ZINC000358088466	ref	3.61	-40.86	1	318.469	1.417	2	5	6	CCN1C[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)ncn2)C1
299072486	ZINC000358088466	low	4.08	-95.06	2	318.469	1.417	2	4	6	CCN1C[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1
178295653	ZINC000034489896	ref	8.38	-7.65	0	237.302	4.055	1	1	3	Cc1cc2cc(OCc3ccccc3)ccc2[nH]1
365626187	ZINC000172848049	high	1.72	-38.96	-1	264.26	1.141	1	4	5	C[C@@H](CNC(=O)c1c[n-]nn1)Oc1cccc(F)c1
365626192	ZINC000172848049	high	1.8	-39.13	-1	264.26	1.141	1	4	5	C[C@@H](CNC(=O)c1cnn[n-]1)Oc1cccc(F)c1
398247424	ZINC000356343174	low	5.2	-37.87	1	215.293	0.953	1	3	7	CC[C@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC
365626198	ZINC000172848049	high	1.89	-39.3	-1	264.26	1.141	1	4	5	C[C@@H](CNC(=O)c1cn[n-]n1)Oc1cccc(F)c1
398247425	ZINC000356357952	ref	5.48	-36.39	1	227.348	1.959	1	2	6	CO[C@H](C[NH2+][C@H]1CCCC[C@H]1OC)C1CC1
178295668	ZINC000072389362	ref	3.56	-50.24	1	228.295	2.334	1	2	0	Cc1cc2cc3c(nc2cc1C)OCC[NH2+]C3
342599947	ZINC000616997575	mid	4.79	-17.36	0	295.346	1.172	2	4	5	N#Cc1ccc(CN2CC[C@@H](NCc3cn[nH]c3)C2=O)cc1
342599948	ZINC000616998014	ref	4.16	-71.17	0	292.379	1.948	4	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(O)cc2O)C1
365626204	ZINC000172851698	ref	7.89	-22.25	0	289.314	1.365	0	5	3	O=C(c1ccncc1F)N1CCC[C@H](Cn2cncn2)C1
178295671	ZINC000072389362	high	2.28	-10.21	0	228.295	2.334	1	3	0	Cc1cc2cc3c(nc2cc1C)OCCNC3
178295675	ZINC000120469183	ref	5.97	-13.95	0	243.31	3.104	2	1	1	Cc1cc2cc(NC(=O)N3CCCC3)ccc2[nH]1
178295679	ZINC000011727515	ref	4.61	-7.0	0	235.714	3.558	1	2	1	Cc1cc2cc([C@H](C)O)c(Cl)nc2cc1C
342599949	ZINC000616998014	mid	3.15	-42.52	1	292.379	1.948	4	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(O)cc2O)C1
365626217	ZINC000643088302	ref	4.3	-54.8	1	296.436	1.922	1	2	4	CCc1cccc(CC)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@@H]1C
365626202	ZINC000354688947	ref	5.14	-6.89	0	291.347	1.219	2	4	6	COC(=O)[C@H](NC(=O)C[C@@H]1C[C@@H]1c1ccccc1)[C@@H](C)O
343994618	ZINC000079922736	mid	6.72	-44.26	1	299.374	2.425	1	4	6	COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1cnc(C)cn1)c1ccccc1
365626209	ZINC000354691313	ref	5.87	-12.03	0	286.372	1.539	1	4	6	CCOC(=O)CC[C@@H](C)NC(=O)N(C)[C@@H]1CCCOC1
365626213	ZINC000354690416	ref	6.51	-11.02	0	269.264	1.118	2	5	3	Cn1cccc1C(=O)C(=O)Nc1nc2cccnc2[nH]1
365626222	ZINC000354689654	ref	5.01	-5.09	0	296.411	1.707	1	3	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)N[C@@H]1CCO[C@H]1C
365626234	ZINC000354689173	ref	1.65	-10.83	0	294.326	1.571	3	3	5	COc1cc(F)cc(CNC(=O)N[C@H]2C=C[C@@H](CO)C2)c1
365626242	ZINC000354690743	ref	4.75	-43.6	1	295.427	1.282	2	2	5	CC(C)[C@@H]1CCCCN1C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
365626251	ZINC000354689943	ref	6.32	-16.81	0	280.29	1.844	1	2	3	CC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)CC(F)(F)F
365626257	ZINC000354690249	ref	3.27	-23.55	0	284.406	1.199	1	4	4	C[C@H](Sc1ccccn1)C(=O)N[C@H]1CC[S@](=O)C1
365626267	ZINC000354689505	ref	5.29	-8.14	0	291.351	1.173	2	5	7	C/C=C\C[C@@H](NC(=O)c1ccc(NC)nc1)C(=O)OCC
342084962	ZINC000616407809	ref	4.19	-41.08	1	298.427	1.155	3	3	6	COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1
342084963	ZINC000616407809	mid	3.64	-40.97	1	298.427	1.155	3	3	6	COCC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1
342084964	ZINC000616407809	high	1.33	-10.15	0	298.427	1.155	2	4	6	COCCN1CCC[C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C1
342084965	ZINC000625349140	ref	3.43	-8.12	0	285.356	1.574	0	3	4	COC[C@H](C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
365626273	ZINC000354689502	ref	5.42	-7.82	0	291.351	1.173	2	5	7	C/C=C/C[C@H](NC(=O)c1ccc(NC)nc1)C(=O)OCC
342084966	ZINC000625349275	ref	2.3	-10.77	0	299.392	1.253	1	4	5	COC[C@H](C)S(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
342084967	ZINC000625349398	ref	6.43	-14.4	0	266.341	1.765	1	4	7	CCO[C@H](C(=O)NCCc1c(C)noc1C)C1CC1
342084968	ZINC000625351416	ref	4.77	-6.12	0	282.384	1.322	1	3	3	O=C(NCC[C@H]1CCCOC1)C(=O)N1CCCCCC1
342084969	ZINC000625351417	ref	4.77	-6.16	0	282.384	1.322	1	3	3	O=C(NCC[C@@H]1CCCOC1)C(=O)N1CCCCCC1
342084970	ZINC000625349462	ref	4.75	-11.15	0	273.398	1.783	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H]2CCCCO2)C1
365626281	ZINC000354690326	ref	4.77	-17.11	0	270.292	1.178	0	5	3	CC(=O)c1cccc(C(=O)N2CC(n3ccnn3)C2)c1
365626287	ZINC000354690082	ref	4.62	-6.19	0	269.341	1.261	1	4	4	COC(=O)C[C@]1(NC(=O)C2CC(C)(C)C2)CCOC1
349533666	ZINC000621486995	ref	8.51	-8.77	0	297.402	3.409	1	3	3	Cc1ccc([C@@H](C)NC(=O)c2cnc3n2CCCCC3)cc1
214178925	ZINC000337606866	mid	4.6	-51.36	1	281.316	0.877	3	4	6	CC(C)c1n[nH]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
342599950	ZINC000616998014	high	4.19	-72.56	0	292.379	1.948	3	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1
190492609	ZINC000269421727	ref	1.96	-14.4	0	286.335	0.987	2	5	5	Cc1cncc(/C=C/C(=O)NC[C@@H](O)c2cnn(C)c2)c1
197599780	ZINC000162911789	ref	5.81	-18.12	0	311.813	2.569	2	2	6	CNC(=O)CCCN(C)C(=O)N[C@@H](C)c1ccccc1Cl
365626212	ZINC000625046512	mid	5.25	-6.96	0	309.498	2.488	1	3	9	CCC[C@H](C)CCCN1CCN([C@H](C)C(=O)NC2CC2)CC1
342599951	ZINC000616998014	high	4.16	-71.17	0	292.379	1.948	3	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(O)cc2[O-])C1
178295665	ZINC000237058959	ref	8.54	-53.21	1	361.49	1.55	1	5	6	CC[NH2+]CC1CCN(C(=O)C2CCN(c3nccc(OC)n3)CC2)CC1
178295669	ZINC000237066618	ref	4.29	-57.8	1	354.472	1.46	1	4	7	CN(C(=O)CCCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH2+]CC1
178295673	ZINC000237060540	ref	9.67	-55.43	1	357.454	1.765	1	3	5	C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N2C(=O)c3ccccc3C2=O)CC1
178295674	ZINC000237065329	ref	3.53	-53.7	1	359.879	1.076	2	3	6	CN(CC(=O)NC[C@H]1CCC[NH2+]C1)S(=O)(=O)c1ccc(Cl)cc1
185091244	ZINC000096080967	ref	6.99	-38.94	1	279.409	1.803	1	3	3	CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
365626220	ZINC000625045329	ref	5.98	-17.82	0	307.438	2.408	2	2	4	CC[C@@H]1CC[C@@H](NC(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1
178295678	ZINC000237068465	ref	5.78	-55.02	1	374.304	1.793	1	3	4	C[NH2+]C1CCN(C(=O)CN(C)C(=O)c2ccc(Br)s2)CC1
178295680	ZINC000237067825	ref	2.75	-49.73	1	356.264	1.669	3	2	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCCNC(=O)c1ccc(Br)cc1
178295683	ZINC000237067825	high	2.46	-9.93	0	356.264	1.669	3	3	7	CC[C@H](C)[C@@H](N)C(=O)NCCNC(=O)c1ccc(Br)cc1
178295685	ZINC000237060435	ref	3.92	-65.7	1	359.451	1.685	1	3	4	CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1
185091247	ZINC000096080967	mid	6.85	-40.9	1	279.409	1.803	1	3	3	CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
342599952	ZINC000194687031	ref	5.19	-20.53	0	280.287	1.658	2	3	2	CN1C(=O)Cc2cc(NC(=O)c3cc(C#N)c[nH]3)ccc21
199273239	ZINC000294963070	mid	1.94	-6.76	0	264.703	2.229	2	3	6	CC[C@H](NCc1cccnc1Cl)[C@@H](O)C(F)F
342599953	ZINC000590845372	ref	5.89	-12.95	0	278.356	1.409	1	4	3	O=C(NC[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
214178929	ZINC000337606866	high	4.41	-50.82	0	281.316	0.877	2	4	6	CC(C)c1n[n-]c(C(=O)NCC[NH+]2CCC2)c1[N+](=O)[O-]
342599954	ZINC000590845372	low	6.6	-36.66	1	278.356	1.409	1	3	3	O=C(NC[C@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
259308925	ZINC000020566979	ref	7.49	-4.84	0	223.266	3.733	1	1	3	Fc1ccc(NC[C@H]2CC=CCC2)cc1F
214178931	ZINC000337609632	ref	5.54	-8.9	0	253.264	2.449	1	2	6	CC(=O)CCC(=O)N[C@@H](CC(F)(F)F)C(C)C
398247426	ZINC000651456707	ref	8.97	-9.01	0	288.366	3.226	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2cc(F)ccc2C1
214178935	ZINC000337607544	ref	-0.32	-10.74	0	279.287	0.582	3	3	5	CNC(=O)NCC(=O)N[C@@H]1CCCC[C@H]1OC(F)F
398247428	ZINC000651455224	ref	8.48	-6.5	0	262.397	3.293	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]2CCC[C@H]21
214178939	ZINC000337607849	ref	5.64	-17.09	0	284.319	2.227	2	4	4	Cc1cc2cc[nH]c2cc1NC(=O)COc1cnn(C)c1
214178943	ZINC000337606013	ref	1.57	-45.43	1	256.35	-0.236	4	2	7	CC(C)C(=O)NCCNC(=O)NCC[NH+]1CCC1
214178945	ZINC000337606013	mid	-1.61	-13.05	0	256.35	-0.236	3	3	7	CC(C)C(=O)NCCNC(=O)NCCN1CCC1
214178949	ZINC000337608144	ref	7.03	-11.71	0	271.282	3.307	1	1	2	C[C@]1(NC(=O)CC(F)(F)F)CCCc2ccccc21
349533667	ZINC000618811127	ref	6.35	-19.72	0	276.315	1.716	0	4	4	C[C@H](C(=O)N(C)Cc1cn(C)nn1)c1cccc(F)c1
342599955	ZINC000590844377	ref	4.35	-43.97	1	277.372	1.637	3	3	4	Cc1ncc(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)cn1
168365500	ZINC000368501550	high	8.39	-13.28	0	332.423	3.038	1	5	6	COc1ccc(C[C@@H](C)CN[C@@H]2CCCn3c(C)nnc32)cc1F
342599956	ZINC000590844377	mid	4.35	-43.97	1	277.372	1.637	3	3	4	Cc1ncc(NC(=O)NC[C@H]2CC[N@H+](C(C)C)C2)cn1
342599957	ZINC000617000290	ref	6.79	-42.72	1	292.427	1.682	2	3	5	CCn1cc(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1
290623305	ZINC000367814809	ref	6.2	-7.88	0	277.368	1.633	0	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)C3=NN(C)C(=O)CC3)C2)C1
342599958	ZINC000617000290	mid	6.79	-43.42	1	292.427	1.682	2	3	5	CCn1cc(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cn1
214178973	ZINC000337608679	ref	0.05	-13.98	0	282.34	0.87	1	5	8	COCCCN(CCO)C(=O)c1cc(C)nc(OC)c1
342599959	ZINC000590845379	ref	5.84	-12.87	0	278.356	1.409	1	4	3	O=C(NC[C@@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
342599960	ZINC000590845379	low	6.54	-36.2	1	278.356	1.409	1	3	3	O=C(NC[C@@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342599961	ZINC000590845194	ref	6.78	-13.66	0	285.351	1.825	1	4	3	O=C(NCc1ccncc1)N1CCC[C@H](n2ccnc2)C1
342084971	ZINC000625351614	ref	3.23	-11.14	0	255.343	1.007	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2)C1
342084972	ZINC000625349141	ref	3.24	-8.39	0	285.356	1.574	0	3	4	COC[C@@H](C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342084973	ZINC000625351457	ref	5.03	-4.4	0	294.395	1.175	1	3	2	C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)C[C@@H](C)O1
230741390	ZINC000450467663	ref	8.22	-13.87	0	323.4	1.685	2	6	6	C[C@H]1C[C@@H]1c1nnc2ccc(N[C@H](CO)Cc3ccccc3)nn12
398247427	ZINC000356344621	ref	4.89	-114.81	2	248.37	2.536	2	1	6	CCC[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)OC
365626218	ZINC000274331751	ref	3.35	-21.09	0	296.396	1.009	2	5	4	O=C(NCCc1cn2c(n1)SCC2)N[C@H]1CCCOC1
342084974	ZINC000625349481	ref	2.26	-13.44	0	294.376	1.372	1	3	5	C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1
168365501	ZINC000043292112	mid	3.7	-25.74	1	184.327	1.842	2	1	3	C[C@@H](N)[C@@H]([N@@H+](C)C1CC1)C(C)(C)C
342084975	ZINC000625351697	ref	3.14	-10.66	0	299.396	1.116	0	5	7	C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(CCOC)c2)C1
342084976	ZINC000625351649	ref	7.96	-17.33	0	292.383	1.429	0	5	4	CCn1cnnc1[C@@H]1CCCN(C(=O)C2CC(OC)C2)C1
342084977	ZINC000625350687	ref	3.21	-12.13	0	285.356	1.576	0	3	5	COCCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342084978	ZINC000625349504	ref	4.94	-10.27	0	267.341	1.949	0	2	3	C[C@@H]1CN(S(=O)(=O)CC2CC2)C[C@@H](C)C1(F)F
168365503	ZINC000043292112	mid	4.03	-37.81	1	184.327	1.842	1	1	3	C[C@@H]([NH3+])[C@@H](N(C)C1CC1)C(C)(C)C
398247429	ZINC000356344621	mid	3.42	-47.4	1	248.37	2.536	2	2	6	CCC[C@H](CN[C@H]1C[C@H]([NH3+])c2ccccc21)OC
365626226	ZINC000274329316	ref	0.48	-16.85	0	263.34	1.014	1	5	6	CCC(=O)CNS(=O)(=O)c1sccc1OC
365626236	ZINC000274329316	high	0.25	-53.86	-1	263.34	1.014	0	5	6	CCC(=O)C[N-]S(=O)(=O)c1sccc1OC
365626245	ZINC000274328559	ref	4.19	-15.38	0	296.754	1.238	1	3	4	COc1cccc(Cl)c1CC(=O)N[C@@H]1CC(=O)N(C)C1
365626254	ZINC000274328940	ref	5.08	-55.03	1	297.362	1.093	1	4	2	O=C(c1ccc(-n2ccnn2)cc1)N1CC[C@@]2(CC[NH2+]C2)C1
365626264	ZINC000274331813	ref	1.73	-10.55	0	265.265	1.159	1	5	4	O=C1COc2cccc(OCCC3OCCO3)c2N1
365626272	ZINC000274331669	ref	4.21	-10.84	0	266.728	1.466	1	2	2	CNC(=O)C1CN(C(=O)c2cc(Cl)ccc2C)C1
365626282	ZINC000274328708	ref	3.94	-19.57	0	299.348	1.372	1	5	6	COC(=O)CCCC(=O)Nc1ccccc1S(C)(=O)=O
365626291	ZINC000274328528	ref	4.94	-12.97	0	264.329	1.757	1	4	4	CCOC[C@@H]1CCCN(C(=O)Nc2cncnc2)C1
168365509	ZINC000044461244	ref	0.57	-43.0	1	167.216	-0.469	3	4	2	C[C@@H]([NH3+])Cc1cnc(N)nc1N
365626299	ZINC000274329672	ref	0.18	-14.77	0	295.158	1.072	0	4	4	CN(COc1ccc(Br)nc1)S(C)(=O)=O
299072485	ZINC000567665974	mid	7.17	-59.57	1	293.374	2.32	1	4	6	Cc1cccc(C[NH2+]Cc2cnnn2Cc2ccccc2)n1
365626219	ZINC000122226945	ref	7.1	-11.89	0	255.321	2.492	0	3	1	Cc1c(C(=O)N2C[C@@H](C)c3ccccc32)cnn1C
365626231	ZINC000122283672	ref	6.34	-18.11	0	290.411	2.34	0	4	5	CCC[C@@H](C)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1
230741401	ZINC000425567076	ref	4.8	-21.32	0	316.467	2.033	1	3	6	CS(=O)(=O)CCCCNC(=O)N1CC[C@@H](C2CCCC2)C1
342599962	ZINC000590845194	low	7.48	-38.09	1	285.351	1.825	1	3	3	O=C(NCc1ccncc1)N1CCC[C@H](n2cc[nH+]c2)C1
230741404	ZINC000425567031	ref	5.83	-16.09	0	314.393	2.152	1	5	7	C=CCn1cc(CNC(=O)N(C)[C@@H](CC)c2ccncc2)nn1
365626243	ZINC000122209520	ref	5.3	-15.22	0	299.378	2.142	3	2	2	O=C(N[C@@H]1CCc2n[nH]cc2C1)N1CCC[C@H]1c1ccc[nH]1
214178936	ZINC000278475998	low	7.07	-30.17	1	323.462	2.342	0	3	5	C=CCCS(=O)(=O)N1CCC[C@@H]1c1[nH+]c2c(n1C)CCCC2
365626262	ZINC000122317655	ref	6.07	-15.54	0	282.384	2.015	1	4	5	C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@H](C#N)C(C)(C)C
349533668	ZINC000621228666	ref	5.47	-18.2	0	296.333	2.34	1	2	7	CN(C)C(=O)CCCC(=O)NCC(C)(C)CC(F)(F)F
230741413	ZINC000425567191	ref	3.09	-9.82	0	300.362	2.354	2	4	5	COc1ccnc(CNC(=O)N[C@H](C)c2ccccc2C)n1
342599963	ZINC000590844890	ref	5.57	-12.02	0	266.345	1.264	1	4	4	COC[C@@H](C)NC(=O)N1CCC[C@H](n2ccnc2)C1
342599964	ZINC000590844890	low	6.28	-35.48	1	266.345	1.264	1	3	4	COC[C@@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
197599790	ZINC000162896903	ref	2.3	-8.15	0	301.749	2.501	3	2	3	CC(C)(C)[C@H](NC(=O)Nc1cccc(Cl)c1F)C(N)=O
349533672	ZINC000621226810	ref	4.66	-9.11	0	292.305	2.397	1	4	6	CCCn1cc(C(=O)NCC(C)(C)CC(F)(F)F)nn1
349533675	ZINC000621226316	ref	3.55	-9.83	0	276.258	2.496	2	3	4	CC(C)(CNC(=O)c1ncccc1O)CC(F)(F)F
365626276	ZINC000122259363	ref	7.32	-13.53	0	293.411	2.078	1	3	5	CCC(CC)N1C[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)CC1=O
365626289	ZINC000122291546	ref	5.99	-42.55	1	263.385	2.054	1	3	6	CC[C@H](C)C[NH2+]Cc1cccnc1N1CCOCC1
230741419	ZINC000425564191	ref	7.63	-9.48	0	302.418	2.431	1	2	3	C=C[C@@H]1OCC[C@H]1CNC(=O)N1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1
230741423	ZINC000425566774	ref	9.74	-21.52	0	311.389	2.254	1	5	4	CC(C)(C)[C@](C)(C#N)NC(=O)Cc1ccc(-n2cnnc2)cc1
342599965	ZINC000617000291	ref	2.26	-48.23	0	283.397	1.699	3	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2csc(=O)[nH]2)C1
342599966	ZINC000617000291	mid	3.25	-46.36	1	283.397	1.699	3	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2csc(=O)[nH]2)C1
214178937	ZINC000293504599	ref	4.66	-10.15	0	362.386	0.315	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@@]2(CCCO2)[C@H]1C1CC1
214178942	ZINC000293496119	ref	3.99	-13.79	0	362.386	0.86	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc2cnn(C(C)C)c2c1)OC
214178947	ZINC000293498342	ref	0.69	-50.1	1	350.4	0.665	1	6	6	COc1ccncc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1
214178950	ZINC000293498342	low	0.69	-50.1	1	350.4	0.665	1	5	6	COc1cc[nH+]cc1CNC(=O)c1ccc(S(=O)(=O)N(C)C)nc1
214178954	ZINC000293496554	ref	7.58	-52.91	1	359.47	0.603	2	3	7	C[N@@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@H](O)Cc1ccccc1
230741408	ZINC000414357796	ref	6.71	-13.48	0	310.401	3.023	1	4	4	Cc1ccc(CNc2cccc(C(=O)N3CCCCC3)c2)nn1
365626225	ZINC000172847521	ref	5.21	-16.61	0	285.347	1.75	1	3	3	Cc1ccc2cccc(C(=O)N[C@H](C)C(=O)N(C)C)c2n1
214178958	ZINC000293496554	mid	5.24	-14.81	0	359.47	0.603	2	3	7	C[N@H+](CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@H](O)Cc1ccccc1
214178961	ZINC000293496554	mid	5.24	-14.81	0	359.47	0.603	1	4	7	CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)C[C@H](O)Cc1ccccc1
214178964	ZINC000293501297	ref	1.35	-19.27	0	372.443	0.934	3	6	7	CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1
214178968	ZINC000293501297	high	1.35	-19.27	0	372.443	0.934	3	7	7	CS(=O)(=O)[C@@H]1CCC[C@H](N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)C1
342599967	ZINC000617000291	high	2.3	-48.66	0	283.397	1.699	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2csc(=O)[n-]2)C1
214178971	ZINC000293495827	ref	0.34	-15.25	0	371.187	0.298	2	5	3	COC(=O)c1cc(Br)cc(C(=O)N2CC[C@](O)(C(N)=O)C2)c1
197599795	ZINC000162900510	ref	7.81	-9.05	0	307.415	2.622	0	4	6	COc1ccc(C(=O)CCC(=O)N(C)[C@H]2CCSC2)cc1
214178975	ZINC000293489371	ref	2.56	-18.81	0	350.419	0.301	3	5	7	CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1cn(C)c(=O)cc1C
214178980	ZINC000293491378	ref	6.28	-17.26	0	367.413	0.998	1	7	6	Cc1c(C(=O)N(CC(N)=O)[C@H](C)c2ccccc2)nnn1-c1ccn(C)n1
214178984	ZINC000293494975	ref	4.8	-18.82	0	355.398	0.879	1	5	4	N#Cc1ccc(O[C@H]2CCN(C(=O)N[C@H]3CC(=O)N(C4CC4)C3)C2)nc1
342599968	ZINC000617000291	high	2.26	-48.23	0	283.397	1.699	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2csc(=O)[n-]2)C1
342599969	ZINC000616997252	ref	5.61	-39.81	1	270.417	1.896	2	2	6	COC[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599970	ZINC000616997252	mid	5.54	-39.3	1	270.417	1.896	2	2	6	COC[C@@H](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365626227	ZINC000623055160	high	-0.29	-80.11	0	316.361	1.08	3	3	3	C[C@@H](NC(=O)Nc1ccc2c(c1)C(=O)[N-]C2=O)[C@@H]1CCC[NH2+]C1
365626235	ZINC000623055753	ref	3.93	-43.37	1	324.356	1.965	2	4	4	O=C(NC[C@H]1CCC[NH2+]1)c1nnc(-c2c(F)cccc2F)s1
365626240	ZINC000623055370	ref	5.91	-38.94	1	304.394	1.219	1	4	4	CCn1cc(C(=O)C(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]2)cn1
185091250	ZINC000096081273	ref	1.62	-14.59	0	275.308	-0.111	1	4	3	O=C1C[C@@H]2[C@H](CCN2C(=O)c2ccncc2)N1CCO
365626248	ZINC000623055702	ref	1.9	-58.82	1	323.418	1.291	2	3	2	CS(=O)(=O)c1ccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1
365626253	ZINC000623055178	ref	3.99	-44.08	1	316.224	1.918	2	3	2	O=C(NC1C[C@@H]2CC[C@H](C1)[NH2+]2)c1ncc(Br)s1
365626259	ZINC000623056476	ref	4.05	-54.25	1	304.394	1.258	2	3	5	CC(=O)c1cccc(NC(=O)N(C)CCN2CC[NH2+]CC2)c1
282120980	ZINC000449150754	ref	7.11	-37.42	1	268.426	2.013	1	2	3	C[C@H]([NH2+]C1CC1)C(=O)N1CCS[C@H]2CCCC[C@@H]21
282120981	ZINC000449150754	high	6.0	-5.89	0	268.426	2.013	1	3	3	C[C@H](NC1CC1)C(=O)N1CCS[C@H]2CCCC[C@@H]21
282120983	ZINC000449150270	ref	5.89	-37.98	1	290.407	2.444	2	2	6	CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@H]1C
282120986	ZINC000449150755	ref	6.81	-39.17	1	268.426	2.013	1	2	3	C[C@H]([NH2+]C1CC1)C(=O)N1CCS[C@H]2CCCC[C@H]21
230741436	ZINC000414358366	ref	6.54	-8.79	0	324.327	3.143	1	3	6	C=CCC[C@@H]1NC(=O)N(c2cc(F)c(OC(C)C)c(F)c2)C1=O
365626266	ZINC000623055963	ref	2.7	-53.28	1	311.407	1.306	2	3	3	C[NH2+][C@H]1CCCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365626271	ZINC000623056128	ref	1.55	-62.0	1	301.35	1.626	4	3	4	Cc1nc(-c2ccc(NC(=O)NC[C@H](C)[NH3+])cc2)cc(=O)[nH]1
365626279	ZINC000623056128	high	0.45	-89.0	0	301.35	1.626	3	3	4	Cc1nc(-c2ccc(NC(=O)NC[C@H](C)[NH3+])cc2)cc(=O)[n-]1
178295686	ZINC000072346990	ref	4.23	-13.87	0	243.222	1.213	1	5	0	Cc1cc2cc3c(cc2n2c(=O)[nH]nc12)OCO3
365626284	ZINC000623056235	ref	6.28	-92.98	2	302.422	1.949	3	1	3	C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1
365626290	ZINC000623056235	high	3.8	-50.61	1	302.422	1.949	2	2	3	CN(C)Cc1cccc(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1
365626294	ZINC000623055476	ref	3.08	-41.27	1	304.213	1.859	1	3	2	[NH3+]C[C@H]1CCCCN1C(=O)c1ncc(Br)s1
365638914	ZINC000625088809	high	5.27	-10.46	0	310.36	2.146	0	3	8	CCCN(CC(F)(F)F)C(=O)CN(CC)C[C@H]1CCOC1
282120987	ZINC000449150755	high	5.68	-4.58	0	268.426	2.013	1	3	3	C[C@H](NC1CC1)C(=O)N1CCS[C@H]2CCCC[C@H]21
398249360	ZINC000069839134	ref	-1.71	-53.3	1	229.324	-0.75	2	3	5	C[C@@H]([NH3+])CCC(=O)N1CCN(CCO)CC1
365626228	ZINC000641592563	low	4.65	-43.37	1	266.382	1.092	1	2	5	C[N@@H+]1CCN(S(=O)(=O)CCCCF)CC1(C)C
365626233	ZINC000641592563	low	4.53	-45.35	1	266.382	1.092	1	2	5	C[N@H+]1CCN(S(=O)(=O)CCCCF)CC1(C)C
178295688	ZINC000237059346	ref	4.92	-55.09	1	367.515	1.736	2	3	8	CN(CC(=O)NCC[NH2+]C1CCCCCC1)S(=O)(=O)c1ccccc1
222609340	ZINC000291778477	ref	7.8	-8.76	0	306.381	3.022	1	2	3	C[C@H]1CN(C(=O)NCc2ccc(C3CC3)cc2F)C[C@H](C)O1
342599971	ZINC000590845933	ref	4.85	-41.25	1	283.416	1.271	3	2	3	CC(C)[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
230741418	ZINC000450469600	ref	6.58	-7.44	0	300.305	1.773	1	4	5	COC(=O)[C@H](CC(F)F)NC(=O)[C@]1(C#N)CC12CCCC2
365626238	ZINC000641593084	ref	6.43	-47.34	1	299.378	1.793	2	4	2	C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1ccc2nc[nH]c(=O)c2n1
178295690	ZINC000237057265	ref	2.79	-58.0	1	353.488	1.325	2	3	6	CCS(=O)(=O)NCc1ccc(C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)cc1
178295693	ZINC000237063004	ref	2.41	-50.23	1	363.43	1.836	3	3	6	C[NH2+]C[C@H](C)C(=O)Nc1cc(S(=O)(=O)NC(C)(C)C)c(F)cc1F
168365505	ZINC000368509398	ref	6.14	-10.16	0	330.787	3.137	1	3	4	CC(C)OC[C@@H]1CN(C(=O)Nc2cc(F)cc(Cl)c2)CCO1
178295696	ZINC000237063004	high	2.4	-72.72	0	363.43	1.836	2	3	6	C[NH2+]C[C@H](C)C(=O)Nc1cc(S(=O)(=O)[N-]C(C)(C)C)c(F)cc1F
178305225	ZINC000237277615	low	7.14	-87.93	2	360.483	1.729	2	4	6	COc1ccccc1[C@H](NC(=O)C[C@H]1CSCC[NH2+]1)c1[nH+]ccn1C
178305228	ZINC000237277615	high	5.72	-13.99	0	360.483	1.729	2	6	6	COc1ccccc1[C@H](NC(=O)C[C@H]1CSCCN1)c1nccn1C
168365507	ZINC000368509059	ref	6.21	-7.54	0	331.456	3.194	0	4	4	CC(=O)c1c(C)cc(C)c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1C
178305229	ZINC000237277790	ref	5.21	-66.7	1	353.422	1.864	2	3	6	COc1ccc(N2C[C@H](C(=O)NC[C@H]([NH3+])c3ccccc3)CC2=O)cc1
178305233	ZINC000237277790	high	4.87	-15.17	0	353.422	1.864	2	4	6	COc1ccc(N2C[C@H](C(=O)NC[C@H](N)c3ccccc3)CC2=O)cc1
178305235	ZINC000237272551	ref	4.0	-51.62	1	357.252	1.638	3	2	7	C[NH2+]CCN(C)C(=O)CCNC(=O)Nc1ccc(Br)cc1
342599972	ZINC000590845933	mid	2.09	-9.28	0	283.416	1.271	2	3	3	CC(C)[C@H](C)NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
342599973	ZINC000616997751	ref	5.57	-38.6	1	270.417	1.896	2	2	5	COCC(C)(C)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599974	ZINC000616997751	mid	5.51	-38.15	1	270.417	1.896	2	2	5	COCC(C)(C)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599975	ZINC000616997250	ref	5.61	-39.8	1	270.417	1.896	2	2	6	COC[C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342599976	ZINC000616997250	mid	5.54	-39.33	1	270.417	1.896	2	2	6	COC[C@H](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342599977	ZINC000617000310	ref	5.26	-38.93	1	268.401	1.648	2	2	3	C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CO1
342599978	ZINC000617000310	mid	5.21	-38.58	1	268.401	1.648	2	2	3	C[C@@H]1C[C@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CO1
365626229	ZINC000172851704	ref	7.92	-20.28	0	289.314	1.365	0	5	3	O=C(c1ccncc1F)N1CCC[C@@H](Cn2cncn2)C1
342599979	ZINC000616997787	ref	6.15	-37.12	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ncn1
365626237	ZINC000172848918	ref	5.79	-24.26	0	278.356	1.078	1	4	4	CC(C)CC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
365626246	ZINC000172848052	ref	1.96	-8.11	0	264.26	1.141	2	4	5	C[C@H](CNC(=O)c1cn[nH]n1)Oc1cccc(F)c1
365626249	ZINC000172848052	mid	2.02	-10.06	0	264.26	1.141	2	4	5	C[C@H](CNC(=O)c1cnn[nH]1)Oc1cccc(F)c1
190492614	ZINC000269418217	ref	4.87	-8.94	0	263.366	2.771	2	5	5	Cc1nsc(N[C@H](C)C[C@H](O)c2ccccc2)n1
365626255	ZINC000172848052	high	1.78	-37.11	-1	264.26	1.141	1	4	5	C[C@H](CNC(=O)c1c[n-]nn1)Oc1cccc(F)c1
342599980	ZINC000616997787	mid	6.09	-36.91	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ncn1
342599981	ZINC000616997853	ref	6.54	-41.39	1	268.401	1.792	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCO2)C1
365626260	ZINC000172848052	high	1.85	-37.23	-1	264.26	1.141	1	4	5	C[C@H](CNC(=O)c1cnn[n-]1)Oc1cccc(F)c1
365626263	ZINC000172848052	high	1.94	-37.4	-1	264.26	1.141	1	4	5	C[C@H](CNC(=O)c1cn[n-]n1)Oc1cccc(F)c1
342599982	ZINC000616997853	mid	6.51	-40.71	1	268.401	1.792	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCO2)C1
342599983	ZINC000616998015	ref	4.19	-73.01	0	292.379	1.948	4	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(O)cc2O)C1
342599984	ZINC000616998015	mid	3.18	-43.66	1	292.379	1.948	4	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(O)cc2O)C1
342599985	ZINC000616998015	high	4.13	-72.19	0	292.379	1.948	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1
178295694	ZINC000360001170	ref	6.09	-21.18	0	241.294	3.109	2	2	4	Cc1cc2cc(NC(=O)CCCC#N)ccc2[nH]1
197599806	ZINC000162906042	ref	6.42	-10.54	0	301.177	2.377	0	5	4	CCc1cc(Cn2ncc(Cl)c(Cl)c2=O)n(CC)n1
342599986	ZINC000616998015	high	4.19	-73.01	0	292.379	1.948	3	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1
342599987	ZINC000590845377	ref	5.87	-12.8	0	278.356	1.409	1	4	3	O=C(NC[C@@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
214178940	ZINC000278476932	ref	0.88	-13.95	0	308.304	1.484	3	4	6	CC[C@@H](O)CCNC(=O)N[C@@H](c1cnn(C)c1)C(F)(F)F
342599988	ZINC000590845377	low	6.58	-35.99	1	278.356	1.409	1	3	3	O=C(NC[C@@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
342599989	ZINC000617000307	ref	5.27	-38.29	1	268.401	1.648	2	2	3	C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CO1
342599990	ZINC000617000307	mid	5.27	-38.73	1	268.401	1.648	2	2	3	C[C@@H]1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CO1
342599991	ZINC000590845080	ref	5.49	-38.32	1	283.416	1.416	3	2	4	CCC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
365626232	ZINC000625046072	ref	8.86	-46.27	1	309.454	2.025	1	2	5	CCO[C@@H](C[NH+]1CCN(C(=O)N2CCCCC2)CC1)C1CC1
365626241	ZINC000625046072	mid	6.47	-8.92	0	309.454	2.025	0	3	5	CCO[C@@H](CN1CCN(C(=O)N2CCCCC2)CC1)C1CC1
342599992	ZINC000590845080	mid	3.49	-8.89	0	283.416	1.416	2	3	4	CCC[C@H](C)NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
342599993	ZINC000590845195	ref	6.81	-13.74	0	285.351	1.825	1	4	3	O=C(NCc1ccncc1)N1CCC[C@@H](n2ccnc2)C1
342599994	ZINC000590845195	low	7.52	-38.39	1	285.351	1.825	1	3	3	O=C(NCc1ccncc1)N1CCC[C@@H](n2cc[nH+]c2)C1
342599995	ZINC000590845024	ref	7.09	-12.62	0	250.346	1.886	1	3	3	CC(C)CNC(=O)N1CCC[C@@H](n2ccnc2)C1
365626250	ZINC000625046510	ref	7.7	-37.59	1	309.498	2.488	2	2	9	CCC[C@H](C)CCC[NH+]1CCN([C@@H](C)C(=O)NC2CC2)CC1
365626258	ZINC000625046510	mid	5.3	-7.08	0	309.498	2.488	1	3	9	CCC[C@H](C)CCCN1CCN([C@@H](C)C(=O)NC2CC2)CC1
365626269	ZINC000625046750	ref	6.2	-12.79	0	324.352	2.295	0	3	4	O=S(=O)(CCc1c(F)cccc1F)N1CCc2cnccc21
365626277	ZINC000625046750	low	6.67	-41.22	1	324.352	2.295	0	2	4	O=S(=O)(CCc1c(F)cccc1F)N1CCc2c[nH+]ccc21
365626286	ZINC000625048409	ref	8.24	-12.19	0	323.396	2.252	1	2	2	O=C(c1cc2ccccc2[nH]1)N1CCN(C(=O)C23CC(C2)C3)CC1
398249505	ZINC000100413412	ref	6.67	-36.53	1	226.408	3.031	1	1	8	CCCCCCCCCN1CC[NH2+]C[C@@H]1C
342599996	ZINC000590845024	low	7.8	-36.18	1	250.346	1.886	1	2	3	CC(C)CNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
214178944	ZINC000278476983	ref	8.82	-14.39	0	309.381	3.256	0	3	6	CCC[C@]1(COC)CCCN1C(=O)c1ccc(OC)c(F)c1
342599997	ZINC000616997427	ref	4.44	-11.37	0	278.381	1.705	1	5	6	Cc1cnn(CCC(=O)NCCc2nc(C)cs2)c1
342599998	ZINC000590853206	ref	5.27	-43.14	1	297.443	1.663	3	2	5	CC(C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
342599999	ZINC000590853206	mid	3.12	-9.34	0	297.443	1.663	2	3	5	CC(C)CCCNC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1
168365508	ZINC000368509059	low	9.72	-40.67	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1C
365626244	ZINC000641593083	ref	5.55	-52.04	1	299.378	1.793	2	4	2	C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2nc[nH]c(=O)c2n1
365626252	ZINC000641592869	ref	3.82	-6.11	0	275.274	1.782	1	4	2	Cc1cncnc1N1CC[C@H](C(F)(F)F)[C@@H](CO)C1
365626261	ZINC000641593545	ref	1.73	-9.12	0	284.381	1.21	1	4	4	CNS(=O)(=O)c1ccccc1N(C)[C@@H]1CCCOC1
178295699	ZINC000362493334	ref	4.1	-12.67	0	246.31	2.432	3	2	3	Cc1cc2cc(NC(=O)[C@@H](O)C(C)C)ccc2[nH]1
398247430	ZINC000651456016	ref	9.84	-7.85	0	262.397	3.436	1	1	3	O=C(NC1CC2(CCC2)C1)N(C1CCCC1)C1CC1
178295707	ZINC000357204332	ref	4.63	-15.16	0	240.266	2.452	3	2	2	Cc1cc2cc(NC(=O)c3c[nH]cn3)ccc2[nH]1
178295711	ZINC000026474896	ref	6.62	-56.13	-1	201.225	2.55	0	3	1	Cc1cc2ccc(C(=O)[O-])nc2cc1C
398247432	ZINC000651455112	ref	7.87	-7.78	0	250.386	3.149	1	1	2	CC[C@H]1C[C@@H](C)CN1C(=O)NC1CC2(CCC2)C1
342084979	ZINC000625348913	ref	5.02	-31.16	1	254.374	1.387	2	2	6	CCO[C@H](C[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O)C1CC1
168365510	ZINC000368509059	low	8.48	-37.75	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@H+]2CCOC[C@@H]2[C@@H]2CCCO2)c1C
342084980	ZINC000625348913	mid	4.75	-32.06	1	254.374	1.387	2	2	6	CCO[C@H](C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O)C1CC1
168365512	ZINC000368507994	ref	6.59	-12.11	0	339.354	3.148	0	2	4	Cc1cccc([C@@]2(F)CCN(S(=O)(=O)CCC(F)(F)F)C2)c1
178295721	ZINC000191998369	ref	3.39	-51.27	1	245.326	2.398	3	1	3	Cc1cc2cc(NC(=O)[C@@H](C)[C@H](C)[NH3+])ccc2[nH]1
178295724	ZINC000090694940	ref	7.84	-43.59	-1	207.204	2.173	0	3	2	Cc1cc2cc(F)ccc2n1CC(=O)[O-]
365626268	ZINC000641592674	ref	5.85	-46.07	1	282.409	1.542	0	3	3	CN1CCN(S(=O)(=O)Cc2ccccc2)CC1(C)C
259308930	ZINC000027126398	ref	3.32	-12.97	0	207.229	1.206	1	3	3	COCC(=O)Nc1ccc2c(c1)CCO2
168365514	ZINC000368502997	ref	3.61	-8.48	0	344.411	3.143	3	4	5	Cc1cc(C)c2c(c1)[C@H](NC(=O)N[C@@H](CCO)c1ccco1)CCO2
168365516	ZINC000368502153	ref	7.47	-9.02	0	343.452	3.02	0	6	5	COC(=O)c1ccc(CN2CCC(Sc3ccccn3)CC2)nc1
168365518	ZINC000368502153	mid	10.32	-45.89	1	343.452	3.02	1	5	5	COC(=O)c1ccc(C[NH+]2CCC(Sc3ccccn3)CC2)nc1
343994620	ZINC000079940715	ref	2.71	-19.14	0	292.36	2.016	2	3	5	C[S@](=O)c1ccc(CNC(=O)NCc2ccco2)cc1
178295730	ZINC000305729054	ref	2.57	-17.17	0	218.256	1.796	3	2	2	Cc1cc2cc(NC(=O)[C@@H](C)O)ccc2[nH]1
365626265	ZINC000576566767	high	7.55	-3.15	0	248.345	3.279	1	2	5	Fc1cccnc1CNC(C1CCC1)C1CCC1
365626274	ZINC000576565836	ref	-1.09	-10.86	0	234.271	-0.405	3	3	7	CC(C)C(=O)N[C@@H](CO)C(=O)NCCCF
365626288	ZINC000576563511	ref	1.63	-8.39	0	217.309	0.935	2	3	6	CC[C@H](C(=O)NC(C)(C)COC)[C@H](C)O
214178941	ZINC000053373184	high	7.91	-10.73	0	348.45	3.21	1	4	5	Cc1cccc2nc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)cn12
342084981	ZINC000625348913	high	2.49	-7.49	0	254.374	1.387	1	3	6	CCO[C@H](CN1CC[C@@H](C)C[C@H]1C(N)=O)C1CC1
365626295	ZINC000576565750	ref	4.47	-47.54	1	248.33	0.62	1	3	3	CC1(C)CN(C(=O)CCc2ncccn2)CC[NH2+]1
365626302	ZINC000576565750	high	3.29	-10.35	0	248.33	0.62	1	4	3	CC1(C)CN(C(=O)CCc2ncccn2)CCN1
230741460	ZINC000414359605	ref	4.74	-14.89	0	321.398	3.084	1	5	7	CS(=O)(=O)c1ccc(CNc2ccccc2OCC2CC2)o1
342084982	ZINC000625348917	ref	4.78	-30.13	1	254.374	1.387	2	2	6	CCO[C@H](C[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O)C1CC1
199273242	ZINC000294962894	ref	6.47	-9.2	0	252.264	3.419	0	3	4	C[C@@H](c1nc(Cc2ccccc2)no1)C(C)(F)F
214178946	ZINC000053373373	ref	9.5	-13.39	0	326.44	3.39	0	2	1	CC(=O)N1CCc2cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)ccc21
365626308	ZINC000576566751	ref	6.63	-28.32	1	227.348	1.912	1	2	6	C[N@H+](CCOC[C@H]1CCCO1)[C@@H]1CC1(C)C
365626312	ZINC000576566751	mid	6.43	-28.94	1	227.348	1.912	1	2	6	C[N@@H+](CCOC[C@H]1CCCO1)[C@@H]1CC1(C)C
365626316	ZINC000576566751	high	4.63	-4.03	0	227.348	1.912	0	3	6	CN(CCOC[C@H]1CCCO1)[C@@H]1CC1(C)C
259308934	ZINC000323000660	ref	6.12	-33.51	1	213.365	2.97	1	1	5	CC[C@](C)(C[NH2+]C1CCC(C)CC1)OC
199273244	ZINC000294964097	ref	5.37	-17.99	0	278.308	1.89	1	4	2	Cc1ccc(C(=O)N2CCC[C@H](O)CC2)cc1[N+](=O)[O-]
342084983	ZINC000625348917	mid	4.62	-32.02	1	254.374	1.387	2	2	6	CCO[C@H](C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O)C1CC1
197599820	ZINC000162900856	ref	5.43	-17.76	0	306.406	2.675	2	3	6	CC(C)Cc1cc(C(=O)NCC[C@@H]2CCCCO2)cc(=O)[nH]1
342084984	ZINC000625348917	high	3.26	-6.48	0	254.374	1.387	1	3	6	CCO[C@H](CN1CC[C@H](C)C[C@H]1C(N)=O)C1CC1
342084985	ZINC000625349405	ref	3.5	-14.54	0	256.327	1.402	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)Cc2ccon2)C1
342084986	ZINC000625348850	ref	2.74	-12.63	0	299.392	1.253	1	4	5	CO[C@H](C)CS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
342084987	ZINC000625349277	ref	2.44	-10.75	0	299.392	1.253	1	4	5	COC[C@@H](C)S(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084988	ZINC000625351647	ref	7.99	-18.41	0	292.383	1.429	0	5	4	CCn1cnnc1[C@H]1CCCN(C(=O)C2CC(OC)C2)C1
342084989	ZINC000625351381	ref	4.23	-9.86	0	273.398	1.641	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)CC2CCOCC2)C1
342084990	ZINC000625349395	ref	3.66	-9.83	0	298.408	1.475	1	3	5	CCCN(C)S(=O)(=O)N[C@H]1COc2cccc(C)c2C1
365626270	ZINC000172850891	ref	6.6	-20.57	0	298.346	1.345	1	4	3	Cn1ccc(N2CCC[C@H](NC(=O)c3ccccc3)C2=O)n1
365626280	ZINC000172852379	ref	5.75	-25.06	0	278.356	1.078	1	4	4	CC[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
178295704	ZINC000082790634	ref	3.17	-53.52	1	282.192	2.362	1	2	4	C[C@@H](C[NH3+])CS(=O)(=O)c1c(Cl)cccc1Cl
342084991	ZINC000625351394	ref	4.33	-14.15	0	270.354	1.711	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)Cc2cc(C)on2)C1
365626285	ZINC000172844664	ref	6.46	-26.33	0	292.383	1.468	1	4	5	CCC[C@@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
365626293	ZINC000172844149	ref	6.48	-11.36	0	282.34	1.698	1	3	4	C[C@@H]1NC(=S)N(C[C@@H](C)Oc2ccc(F)cc2)C1=O
365626297	ZINC000172848823	ref	5.45	-19.91	0	278.356	1.078	1	4	2	Cn1ccc(N2CCC[C@@H](NC(=O)C(C)(C)C)C2=O)n1
365626304	ZINC000172845016	ref	1.54	-17.78	0	295.364	1.843	1	6	5	Cc1ccc(C)c(NCc2nc(CS(C)(=O)=O)no2)c1
342084992	ZINC000625349009	ref	3.9	-11.6	0	281.377	1.794	1	3	5	C=CCCS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342084993	ZINC000625351654	ref	3.57	-8.91	0	281.381	1.559	1	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cc(C)cnc2N)C1
342084994	ZINC000625351383	ref	4.22	-9.99	0	273.398	1.641	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)CC2CCOCC2)C1
342084995	ZINC000625349480	ref	2.29	-13.46	0	294.376	1.372	1	3	5	C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C(N)=O)cc2)C1
342084996	ZINC000625349638	ref	4.56	-11.03	0	283.397	1.624	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1
342084997	ZINC000625349418	ref	4.33	-9.95	0	273.398	1.783	0	3	6	C=CC[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1
342084998	ZINC000625349377	ref	2.48	-11.72	0	255.339	1.238	1	3	3	CCS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
168365515	ZINC000043334302	ref	2.44	-41.2	1	194.278	1.764	1	2	3	C[C@@H]([NH3+])[C@@H](c1ccco1)N1CCCC1
342084999	ZINC000625353071	ref	5.51	-4.9	0	254.374	1.963	1	2	7	C=CC(C)(C)CCNC(=O)C(=O)N(C)CCCC
342085000	ZINC000625349137	ref	3.2	-8.37	0	285.356	1.574	0	3	4	COC[C@H](C)S(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
178295719	ZINC000082791012	ref	2.31	-51.91	1	292.198	1.96	1	2	4	C[C@H](CC[NH3+])S(=O)(=O)c1cccc(Br)c1
342085001	ZINC000625349384	ref	3.89	-9.72	0	298.408	1.475	1	3	5	CCN(CC)S(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
365626311	ZINC000172849390	ref	0.94	-18.41	0	299.327	1.674	1	6	5	Cc1ccc(F)cc1NCc1nc(CS(C)(=O)=O)no1
197599821	ZINC000162908870	ref	5.98	-16.06	0	309.435	2.489	2	4	3	CS[C@H]1CCC[C@@H](NC(=O)Nc2cn(C)c(=O)cc2C)C1
282120985	ZINC000248961542	ref	2.88	-11.06	0	320.433	1.726	2	4	7	CCC[C@H](NC(=O)CN1C[C@@H](C)O[C@@H](CO)C1)c1ccccc1
197599823	ZINC000162905431	ref	6.99	-14.5	0	320.437	2.579	1	4	6	CCCCn1ncc(NC(=O)[C@@H]2CCCN(C(=O)CC)C2)c1C
282120988	ZINC000248960895	ref	0.21	-12.87	0	308.378	1.345	2	5	6	COc1ccc(OC)c(NC(=O)CN2CC[C@@H](C)[C@@H]2CO)c1
342600000	ZINC000590845378	ref	5.85	-11.53	0	278.356	1.409	1	4	3	O=C(NC[C@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
342600001	ZINC000590845378	low	6.56	-41.35	1	278.356	1.409	1	3	3	O=C(NC[C@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342600002	ZINC000590845421	ref	6.2	-46.84	1	279.388	1.218	2	3	5	Cn1cc([C@@H]2CCCN2C(=O)NCCC[NH+](C)C)cn1
342600003	ZINC000590845077	ref	6.34	-13.17	0	280.372	1.656	1	4	6	CCOCCCNC(=O)N1CCC[C@H](n2ccnc2)C1
342600004	ZINC000590845077	low	7.04	-36.79	1	280.372	1.656	1	3	6	CCOCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
230741466	ZINC000450470582	ref	5.54	-11.48	0	313.325	1.035	1	5	8	COC[C@@H](NC(=O)[C@@H](C)OCc1ccc(F)cc1)C(=O)OC
342600005	ZINC000590845079	ref	5.08	-41.17	1	283.416	1.416	3	2	4	CCC[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
230741468	ZINC000450468043	ref	7.95	-14.79	0	317.393	1.488	0	7	4	COC[C@@H]1CN(c2ccc3nnc([C@@H]4C[C@H]4C)n3n2)C[C@H](C)O1
342600006	ZINC000590845079	mid	2.59	-9.41	0	283.416	1.416	2	3	4	CCC[C@H](C)NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
365626275	ZINC000641592674	low	5.98	-44.31	1	282.409	1.542	1	2	3	C[N@@H+]1CCN(S(=O)(=O)Cc2ccccc2)CC1(C)C
342600007	ZINC000197387026	ref	4.59	-12.96	0	254.29	1.936	2	4	7	CCCCCCNC(=O)c1[nH]nc(C)c1[N+](=O)[O-]
197599838	ZINC000162904584	ref	4.11	-39.85	1	324.4	1.784	3	3	7	CC(C)[NH+](CCCNC(=O)C(=O)Nc1ccc(F)nc1)C(C)C
342600008	ZINC000590844893	ref	5.6	-12.01	0	266.345	1.264	1	4	4	COC[C@@H](C)NC(=O)N1CCC[C@@H](n2ccnc2)C1
342600009	ZINC000590844893	low	6.31	-35.35	1	266.345	1.264	1	3	4	COC[C@@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
342600010	ZINC000616997574	ref	6.01	-53.17	1	295.346	1.172	2	3	5	N#Cc1ccc(CN2CC[C@H]([NH2+]Cc3cn[nH]c3)C2=O)cc1
197599847	ZINC000162906401	ref	4.0	-46.95	1	314.223	2.497	2	2	5	C[C@@H]([NH2+]C[C@H](O)c1ccc(Br)cc1)[C@@H]1CCOC1
259308935	ZINC000322996187	ref	6.33	-33.28	1	213.365	2.97	1	1	5	CC[C@](C)(C[NH2+][C@H]1CCC[C@@H](C)C1)OC
342600011	ZINC000616997574	mid	4.81	-13.49	0	295.346	1.172	2	4	5	N#Cc1ccc(CN2CC[C@H](NCc3cn[nH]c3)C2=O)cc1
398247431	ZINC000356344621	high	4.59	-37.86	1	248.37	2.536	2	2	6	CCC[C@H](C[NH2+][C@H]1C[C@H](N)c2ccccc21)OC
342085002	ZINC000625349419	ref	4.35	-9.73	0	273.398	1.783	0	3	6	C=CC[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCCO2)C1
178295723	ZINC000082790625	ref	2.32	-52.64	1	265.737	1.99	1	2	4	C[C@@H](CC[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1
197599828	ZINC000290115283	ref	7.49	-45.15	1	296.361	2.92	2	1	5	CC[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1CC)c1cc(F)ccc1F
214178948	ZINC000278476558	ref	4.35	-9.67	0	305.802	2.77	2	3	6	CC[C@@H](SC)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1
365626278	ZINC000641592674	low	5.85	-46.07	1	282.409	1.542	1	2	3	C[N@H+]1CCN(S(=O)(=O)Cc2ccccc2)CC1(C)C
398247433	ZINC000356380305	ref	2.49	-7.64	0	216.325	1.899	2	2	5	CCC[C@H](CNC(=O)NC(C)(C)C)OC
365626283	ZINC000641592604	ref	-2.85	-41.79	-1	283.372	1.523	1	5	5	CCC(C)(C)c1n[n-]c(=NCCC2(O)CCOCC2)o1
342085003	ZINC000625349270	ref	2.53	-11.46	0	299.392	1.254	1	4	6	CCOCCS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
342085004	ZINC000625349634	ref	4.57	-10.74	0	283.397	1.624	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2c(C)nn(C)c2C)C1
342085005	ZINC000625349100	ref	4.5	-15.24	0	282.731	1.651	1	5	4	Cc1noc(C)c1CCNC(=O)c1nn(C)cc1Cl
398247434	ZINC000356357178	ref	4.66	-8.74	0	216.325	1.853	1	2	7	CCC[C@H](CNC(=O)N(CC)CC)OC
342085006	ZINC000625349406	ref	3.5	-14.19	0	256.327	1.402	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)Cc2ccon2)C1
342085007	ZINC000625351535	ref	3.72	-10.84	0	281.377	1.77	1	3	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)C1(C)CC1)CO2
342085008	ZINC000625348848	ref	3.86	-13.13	0	297.367	1.718	0	3	3	C[C@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H](C)C1(F)F
398247436	ZINC000356380403	ref	5.79	-8.31	0	242.363	2.387	1	2	5	CCC[C@H](CNC(=O)N1CCCCCC1)OC
398247438	ZINC000181783456	ref	8.0	-11.22	0	243.347	2.223	0	3	5	CCOC(=O)C[C@H](C)N(C)C(=O)CC(C)(C)C
214178951	ZINC000278476081	ref	4.56	-57.37	1	317.426	2.527	1	3	8	CCOc1ccc(C[NH2+]C(C)(C)CCS(C)(=O)=O)cc1F
342085009	ZINC000625348852	ref	3.95	-13.18	0	297.367	1.718	0	3	3	C[C@H]1CN(S(=O)(=O)C[C@H]2CCCO2)C[C@@H](C)C1(F)F
342085010	ZINC000625350684	ref	3.23	-10.93	0	285.356	1.576	0	3	5	COCCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342085011	ZINC000625351393	ref	4.33	-13.8	0	270.354	1.711	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)Cc2cc(C)on2)C1
342085012	ZINC000625351698	ref	3.13	-10.96	0	299.396	1.116	0	5	7	C=CC[C@H]1CCN(S(=O)(=O)c2cnn(CCOC)c2)C1
342085013	ZINC000625349397	ref	6.57	-14.36	0	266.341	1.765	1	4	7	CCO[C@@H](C(=O)NCCc1c(C)noc1C)C1CC1
342085014	ZINC000625349463	ref	4.54	-11.15	0	273.398	1.783	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1
197599830	ZINC000290114130	ref	6.43	-16.1	0	299.374	2.684	1	4	6	CCNC(=O)CCCc1nc(-c2ccc3c(c2)CCC3)no1
365626292	ZINC000641593031	ref	2.8	-8.11	0	288.438	1.771	0	4	2	Cc1ccsc1S(=O)(=O)N1CCN(C)C(C)(C)C1
342600012	ZINC000617000308	ref	5.23	-38.03	1	268.401	1.648	2	2	3	C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CO1
365626298	ZINC000641593031	low	4.98	-42.44	1	288.438	1.771	1	3	2	Cc1ccsc1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
197599834	ZINC000290116116	ref	6.03	-9.62	0	289.297	2.896	1	2	6	CCOCC(C)(C)CNC(=O)c1c(F)ccc(F)c1F
342600013	ZINC000617000308	mid	5.23	-38.61	1	268.401	1.648	2	2	3	C[C@@H]1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CO1
365626301	ZINC000641593031	low	4.97	-41.87	1	288.438	1.771	1	3	2	Cc1ccsc1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
342600014	ZINC000590845406	ref	6.76	-13.69	0	285.351	1.825	1	4	3	O=C(NCc1cccnc1)N1CCC[C@H](n2ccnc2)C1
365626307	ZINC000479762552	ref	1.83	-52.34	1	298.408	1.489	2	3	6	CC(C)COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1
342600015	ZINC000590845406	low	7.47	-37.87	1	285.351	1.825	1	3	3	O=C(NCc1cccnc1)N1CCC[C@H](n2cc[nH+]c2)C1
365626315	ZINC000641593512	ref	2.94	-8.93	0	284.319	1.283	1	5	2	Cc1ccc2c(c1)CN(c1cc(C(N)=O)ncn1)CCO2
342600016	ZINC000590853204	ref	5.91	-38.65	1	297.443	1.663	3	2	5	CC(C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
342600017	ZINC000590853204	mid	3.76	-9.07	0	297.443	1.663	2	3	5	CC(C)CCCNC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
342600018	ZINC000590845934	ref	5.26	-38.42	1	283.416	1.271	3	2	3	CC(C)[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
230741481	ZINC000414360020	ref	4.67	-8.96	0	309.316	3.261	1	5	7	CCc1ncc(CNc2cc(OC)ccc2OC(F)F)cn1
365626322	ZINC000641593081	ref	5.83	-38.23	1	299.378	1.793	2	4	2	C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1ccc2nc[nH]c(=O)c2n1
365626328	ZINC000479753937	ref	3.22	-10.28	0	284.4	1.46	2	3	3	CC(C)[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)CCO1
365626336	ZINC000641593071	ref	0.2	-12.51	0	292.314	1.178	2	4	3	C[C@@]1(C[C@@H]2CCCN2c2ccncc2F)NC(=O)NC1=O
365626342	ZINC000641593071	low	0.67	-44.07	1	292.314	1.178	2	3	3	C[C@@]1(C[C@@H]2CCCN2c2cc[nH+]cc2F)NC(=O)NC1=O
365626345	ZINC000641592544	ref	3.77	-11.46	0	295.408	1.361	1	3	5	C[C@H]1CCN(S(=O)(=O)NC[C@@H]2C[C@H]2c2cccnc2)C1
365626351	ZINC000641593069	ref	0.74	-10.6	0	292.314	1.178	2	4	3	C[C@]1(C[C@@H]2CCCN2c2ccncc2F)NC(=O)NC1=O
342600019	ZINC000590845934	mid	2.99	-8.88	0	283.416	1.271	2	3	3	CC(C)[C@H](C)NC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
342600020	ZINC000590844693	ref	5.32	-17.71	0	292.404	1.86	0	3	2	Cc1ccc(C(=O)N2CC[S@@](=O)[C@@H](C)C2)c(C2CC2)n1
214178952	ZINC000053362605	ref	5.65	-13.5	0	331.397	1.596	1	6	4	COc1cc(CNC(=O)c2cnc3n(c2=O)CCS3)ccc1C
342600021	ZINC000616997900	ref	5.47	-45.43	1	252.358	1.202	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2CC(=O)C2)C1
342600022	ZINC000616997900	mid	5.52	-46.03	1	252.358	1.202	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C2CC(=O)C2)C1
349533669	ZINC000093259234	low	3.72	-42.65	1	271.361	0.801	2	3	2	C[C@H]1C[N@H+](CC(N)=O)[C@H](C)CN1C(=O)OC(C)(C)C
185091255	ZINC000096081286	ref	8.0	-52.48	1	271.364	1.667	1	2	4	O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1
282120989	ZINC000449151150	ref	7.1	-42.18	1	292.427	2.14	2	2	4	C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(c2c[nH]cn2)CC1
185091257	ZINC000096081286	mid	7.64	-52.16	1	271.364	1.667	1	2	4	O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccncc2)N1CC1CC1
342600023	ZINC000445972889	ref	4.48	-7.96	0	270.373	1.786	1	3	5	C=C(C)COCCNC(=O)N1C[C@H](C)O[C@H](C)[C@H]1C
342600024	ZINC000590846781	ref	3.87	-10.46	0	253.346	1.095	2	2	4	CC(C)NC(=O)CNC(=O)N1CCC[C@@H]1C1CC1
342600025	ZINC000194686011	ref	2.42	-12.01	0	271.276	1.754	1	4	2	Cc1ocnc1C(=O)Nc1ccc2c(c1)CC(=O)N2C
342600026	ZINC000590845293	ref	3.56	-36.4	1	283.416	1.321	4	2	6	CC(C)(CNC(=O)NC[C@H](O)C1CC1)[NH+]1CCCCC1
342600027	ZINC000590845293	high	1.66	-6.09	0	283.416	1.321	3	3	6	CC(C)(CNC(=O)NC[C@H](O)C1CC1)N1CCCCC1
342600028	ZINC000590845242	ref	8.21	-46.97	1	293.415	1.571	2	3	6	CC[NH+](CC)CCNC(=O)N1CCC[C@@H](n2ccnc2)C1
342600029	ZINC000590845242	low	8.92	-80.71	2	293.415	1.571	2	2	6	CC[NH+](CC)CCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
282120991	ZINC000449151150	mid	7.06	-45.02	1	292.427	2.14	2	2	4	C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(c2cnc[nH]2)CC1
214190331	ZINC000278494424	ref	7.26	-14.08	0	312.329	2.375	2	4	6	C#CC[C@@H](NC(=O)c1[nH]nc(CC)c1[N+](=O)[O-])c1ccccc1
259308937	ZINC000020587441	ref	7.49	-55.34	-1	247.294	1.765	1	3	5	CC(C)=CC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
290623307	ZINC000281952848	ref	2.86	-20.65	0	324.381	0.99	3	5	6	CNC(=O)c1c(NC(=O)[C@H](C)OC[C@@H]2CCCCO2)n[nH]c1C
342600030	ZINC000590844891	ref	5.59	-12.2	0	266.345	1.264	1	4	4	COC[C@H](C)NC(=O)N1CCC[C@@H](n2ccnc2)C1
342600031	ZINC000590844891	low	6.3	-35.91	1	266.345	1.264	1	3	4	COC[C@H](C)NC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
342600032	ZINC000616997902	ref	5.53	-45.79	1	252.358	1.202	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2CC(=O)C2)C1
282120990	ZINC000248960895	mid	2.32	-38.82	1	308.378	1.345	3	4	6	COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1
230741480	ZINC000450472300	ref	6.16	-15.5	0	321.373	1.488	1	5	9	C/C=C/COc1cccc(CC(=O)N[C@H](COC)C(=O)OC)c1
365626296	ZINC000354690623	ref	4.72	-8.8	0	284.278	1.968	2	3	6	CCOC(=O)CC[C@@H](C)NC(=O)N[C@H](C)C(F)(F)F
365626303	ZINC000354691225	ref	2.99	-45.19	1	279.315	1.022	3	2	5	O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccccc1F
197599851	ZINC000290114798	ref	12.0	-10.83	0	284.407	2.716	0	4	2	CN(c1nnc(C(C)(C)C)n1C)C1Cc2ccccc2C1
365626313	ZINC000354690319	ref	6.76	-17.77	0	299.334	1.416	2	7	6	Cc1cc(NCc2ccc(OCCO)cc2)n2ncnc2n1
365626317	ZINC000354690513	ref	5.0	-11.1	0	251.33	1.754	0	4	7	CCC(CC)N(CCOC)C(=O)c1cncnc1
365626325	ZINC000354691101	ref	2.55	-13.77	0	276.34	1.049	2	3	6	CN(CCC(N)=O)C(=O)N[C@H](c1cccnc1)C1CC1
365626333	ZINC000367179507	ref	6.28	-6.88	0	288.438	1.946	1	4	4	CC(C)SCCN1C(=O)NC2(CCSCC2)C1=O
230741495	ZINC000450468112	ref	3.21	-13.86	0	308.378	1.841	2	4	8	COCC[C@H](NC(=O)CC[C@@H]1CCC(=O)N1)c1ccc(C)o1
365626347	ZINC000354691251	ref	4.66	-11.03	0	254.355	1.892	0	3	6	CCN(CCC1CC1)S(=O)(=O)c1ccccn1
197599853	ZINC000290114606	ref	6.85	-11.25	0	266.37	2.402	0	6	6	CCS[C@H](C)c1noc(CCc2cncn2C)n1
197599855	ZINC000290114606	mid	7.37	-39.38	1	266.37	2.402	0	5	6	CCS[C@H](C)c1noc(CCc2c[nH+]cn2C)n1
365626357	ZINC000354691102	ref	3.4	-10.3	0	288.388	1.282	3	4	9	CCOC(=O)CC[C@@H](C)NC(=O)NC[C@H](CO)C(C)C
230741501	ZINC000450468955	ref	5.19	-9.65	0	301.39	1.155	2	3	6	O=C(CNC(=O)[C@@H]1CCN(c2ccccc2)C1)NCC1CC1
365626362	ZINC000354689657	ref	5.03	-4.99	0	296.411	1.707	1	3	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCO[C@@H]1C
365626367	ZINC000354689503	ref	5.37	-8.05	0	291.351	1.173	2	5	7	C/C=C/C[C@@H](NC(=O)c1ccc(NC)nc1)C(=O)OCC
365626375	ZINC000354691100	ref	2.94	-13.64	0	276.34	1.049	2	3	6	CN(CCC(N)=O)C(=O)N[C@@H](c1cccnc1)C1CC1
342600033	ZINC000616997902	mid	5.49	-45.19	1	252.358	1.202	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2CC(=O)C2)C1
365626386	ZINC000354689269	ref	2.68	-11.61	0	297.321	1.301	1	3	5	CO[C@H]1CCCN(C(=O)NCCN(C)CC(F)(F)F)C1
365626393	ZINC000354689848	ref	4.92	-7.73	0	290.429	1.462	0	3	6	CCN(CCC1CC1)S(=O)(=O)N1C[C@@H](C)O[C@H](C)C1
365626402	ZINC000354690537	ref	1.65	-9.39	0	277.308	1.672	1	3	7	CC[C@H](CC(F)(F)F)NS(=O)(=O)[C@@H](C)COC
398249506	ZINC000370236416	ref	6.9	-40.01	1	220.32	1.81	1	3	3	Cc1nnc2n1CCC[C@H]2[NH2+][C@H](C)C1CC1
214178953	ZINC000278476081	high	3.35	-17.4	0	317.426	2.527	1	4	8	CCOc1ccc(CNC(C)(C)CCS(C)(=O)=O)cc1F
214178956	ZINC000278476299	ref	6.41	-20.16	0	319.405	1.103	1	4	4	Cc1ccc(CNC(=O)CN2CCCCCCC2=O)c(=O)n1C
214178960	ZINC000278476858	ref	6.87	-10.66	0	310.463	3.22	0	4	6	COCCC[C@H](C)C(=O)N1CCC(c2ncc(C)s2)CC1
342600034	ZINC000590845407	ref	6.8	-13.74	0	285.351	1.825	1	4	3	O=C(NCc1cccnc1)N1CCC[C@@H](n2ccnc2)C1
365626300	ZINC000625046073	ref	8.66	-44.76	1	309.454	2.025	1	2	5	CCO[C@H](C[NH+]1CCN(C(=O)N2CCCCC2)CC1)C1CC1
214178966	ZINC000278476657	ref	3.84	-10.75	0	303.406	1.393	2	3	6	O=C(NCCc1ccccc1)NCC1(N2CCOCC2)CC1
214178970	ZINC000278476657	low	6.05	-43.26	1	303.406	1.393	3	2	6	O=C(NCCc1ccccc1)NCC1([NH+]2CCOCC2)CC1
214178974	ZINC000278477799	ref	6.1	-10.75	0	317.307	3.159	1	3	4	CC1(C)CC[C@@H](C(=O)NCc2ccc(OC(F)(F)F)cc2)O1
214178977	ZINC000278475997	ref	6.93	-10.65	0	323.462	2.342	0	4	5	C=CCCS(=O)(=O)N1CCC[C@H]1c1nc2c(n1C)CCCC2
214178981	ZINC000278475997	low	7.06	-29.85	1	323.462	2.342	0	3	5	C=CCCS(=O)(=O)N1CCC[C@H]1c1[nH+]c2c(n1C)CCCC2
214178985	ZINC000278477734	ref	3.99	-14.96	0	312.373	1.668	2	4	5	O=C(NCc1cccnn1)N(CCO)[C@@H]1CCc2ccccc21
365626306	ZINC000625046073	mid	6.43	-9.04	0	309.454	2.025	0	3	5	CCO[C@H](CN1CCN(C(=O)N2CCCCC2)CC1)C1CC1
365626314	ZINC000625045111	ref	6.45	-12.2	0	310.438	2.004	2	3	9	CCO[C@@H](C(=O)NCCNC(=O)CC1CCCCC1)C1CC1
214178988	ZINC000278477023	ref	6.83	-50.96	1	318.396	2.866	1	4	6	CCn1nccc1[C@@H]1OCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cn1
214178992	ZINC000278477023	high	5.79	-8.35	0	318.396	2.866	1	5	6	CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](C)c1ccc(F)cn1
342600035	ZINC000590845407	low	7.51	-37.8	1	285.351	1.825	1	3	3	O=C(NCc1cccnc1)N1CCC[C@@H](n2cc[nH+]c2)C1
214178999	ZINC000278477180	ref	10.05	-43.25	1	314.364	2.577	2	3	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCC[N@@H+]1C1CC1
365639550	ZINC000576609127	mid	1.71	-13.2	0	236.275	0.527	2	4	2	COc1cccnc1NC(=O)N1CCNCC1
214179002	ZINC000278477180	mid	9.63	-47.19	1	314.364	2.577	2	3	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCC[N@H+]1C1CC1
214179005	ZINC000278477180	mid	7.93	-15.38	0	314.364	2.577	1	4	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@H]1CCCN1C1CC1
259308939	ZINC000306316874	ref	7.28	-40.88	1	213.39	3.05	1	1	2	C[C@H]1CSC[C@@H]1[NH2+]C1CCCCCC1
365626305	ZINC000274328358	ref	7.67	-7.52	0	250.298	1.817	0	5	4	CCn1cc(C(=O)C(=O)O[C@@H]2CC[C@@H](C)C2)cn1
230741500	ZINC000414360077	ref	7.83	-55.36	1	301.356	3.497	1	2	5	CCc1ncc(C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)cn1
342600036	ZINC000616997903	ref	5.02	-44.44	1	291.395	1.946	3	2	3	Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
230741502	ZINC000414359026	ref	5.01	-8.61	0	303.431	3.126	2	5	8	CCc1ncc(CNc2ccc(SCCCO)cc2)cn1
365626310	ZINC000274331153	ref	8.46	-8.17	0	273.332	1.565	0	3	3	COC(=O)C1(C(=O)N(C)C2Cc3ccccc3C2)CC1
365626319	ZINC000274328574	ref	4.92	-11.94	0	264.329	1.755	1	4	4	CC(C)CO[C@H]1CCN(C(=O)Nc2cncnc2)C1
365626327	ZINC000274330312	ref	6.32	-6.37	0	282.417	1.144	2	7	4	CCC1(CC)CN(Cc2nc(N)nc(N)n2)CCS1
365626331	ZINC000274330312	low	8.02	-36.31	1	282.417	1.144	3	6	4	CCC1(CC)C[N@H+](Cc2nc(N)nc(N)n2)CCS1
365626334	ZINC000274330312	low	8.04	-36.25	1	282.417	1.144	3	6	4	CCC1(CC)C[N@@H+](Cc2nc(N)nc(N)n2)CCS1
365626338	ZINC000274327881	ref	3.94	-10.51	0	278.23	1.547	2	3	4	COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cc[nH]c1C
178295732	ZINC000336244923	ref	4.43	-14.03	0	243.266	1.921	2	2	1	Cc1cc2cc[nH]c2cc1N1C(=O)N[C@H](C)C1=O
365626343	ZINC000637721437	ref	8.02	-21.56	0	293.367	1.319	0	4	8	CCCCN(C(=O)CN(C)C(=O)COC)c1ccccn1
178295736	ZINC000077255004	ref	5.65	-11.28	0	205.644	3.009	0	2	1	Cc1cc2cc(Cl)ccc2nc1C=O
178295739	ZINC000014612971	ref	4.54	-13.29	0	242.23	2.666	2	4	0	Cc1cc2cc(O)c3c(O)cccc3c2oc1=O
365626349	ZINC000274330467	ref	4.21	-21.33	0	283.397	1.054	2	5	6	CC(C)[C@H](O)CC(=O)NCCc1cn2c(n1)SCC2
365626359	ZINC000274329560	ref	1.47	-13.26	0	288.351	1.641	4	3	6	Cc1n[nH]cc1CNC(=O)NCC[C@H](O)c1ccccc1
178295745	ZINC000014612971	high	5.54	-42.21	-1	242.23	2.666	1	4	0	Cc1cc2cc([O-])c3c(O)cccc3c2oc1=O
282120992	ZINC000248960895	mid	2.71	-37.76	1	308.378	1.345	3	4	6	COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1
365626366	ZINC000274329560	mid	1.42	-12.79	0	288.351	1.641	4	3	6	Cc1[nH]ncc1CNC(=O)NCC[C@H](O)c1ccccc1
365626373	ZINC000274331441	ref	2.81	-10.93	0	266.301	1.186	2	5	5	COC(=O)N[C@H](CC(C)C)C(=O)Nc1cncnc1
178295748	ZINC000002243345	ref	6.69	-7.84	0	229.176	3.701	0	1	0	Cc1cc2ccc(C(F)(F)F)nc2cc1F
365626378	ZINC000274330357	ref	0.87	-6.08	0	266.341	1.062	1	5	5	COc1ccc(CN2CCOC[C@H]2C[C@H](C)O)nc1
365639557	ZINC000175984550	ref	3.32	-12.58	0	223.301	1.414	1	4	5	Cc1nc(CCCC(=O)NCC#N)cs1
342085015	ZINC000625349518	ref	7.51	-37.75	1	268.401	1.744	1	2	6	CCO[C@H](C[N@@H+]1CCN(CC)C(=O)C1(C)C)C1CC1
349533670	ZINC000621485391	ref	8.08	-10.92	0	280.437	3.367	1	2	5	CC(C)C[C@H](C)NC(=O)N1CC(Cc2ccsc2)C1
185091258	ZINC000096081286	high	5.13	-9.13	0	271.364	1.667	0	3	4	O=C1C[C@H]2[C@@H](CCN2Cc2ccncc2)N1CC1CC1
282120993	ZINC000449151150	low	7.57	-85.23	2	292.427	2.14	2	1	4	C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1
349533673	ZINC000621484714	ref	4.81	-15.76	0	286.335	3.141	1	4	4	CC(C)N(C)C(=O)Nc1ccc(Oc2cccnn2)cc1
365626309	ZINC000122179949	ref	4.31	-18.15	0	261.325	2.148	1	4	5	CCOc1ncccc1C(=O)N[C@@](C)(C#N)C(C)C
282120994	ZINC000449151150	low	7.56	-85.29	2	292.427	2.14	2	1	4	C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1
197599863	ZINC000290116546	ref	6.64	-45.56	1	290.363	1.729	2	3	5	CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(CC(=O)OC)c1
214178967	ZINC000053356920	ref	8.62	-18.09	0	347.338	0.6	1	8	4	O=C(NCc1ccc(-n2cncn2)nc1)c1cnc2ccccn2c1=O
214178972	ZINC000053363770	ref	2.98	-48.9	1	327.45	1.639	3	3	7	CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
349533678	ZINC000621485136	ref	5.15	-16.04	0	298.346	3.285	1	4	3	C[C@H]1CCCN1C(=O)Nc1ccc(Oc2cccnn2)cc1
349533684	ZINC000621487958	ref	8.45	-10.39	0	272.392	3.158	1	1	3	C[C@H](NC(=O)N1CC(C)(c2ccccc2)C1)C1CCC1
349533690	ZINC000621484729	ref	6.44	-7.45	0	282.428	3.068	2	2	5	CC1CC(CNC(=O)NC2CCC(OC(C)C)CC2)C1
190492618	ZINC000269416335	ref	7.65	-14.68	0	270.332	3.25	1	3	5	CC(C)Oc1ccc(NC(=O)/C=C/C2CC2)cc1C#N
197599866	ZINC000290114507	ref	6.19	-13.82	0	286.375	1.937	2	2	5	O=C1CCC[C@@H](CC(=O)NC2(Cc3ccccc3)CC2)N1
197599867	ZINC000290114004	ref	3.02	-11.61	0	276.361	1.924	2	4	5	C[C@H](NC(=O)Cc1cncs1)[C@H](O)c1ccccc1
197599868	ZINC000290115679	ref	3.75	-14.36	0	291.282	1.158	0	5	4	O=C1COCCN1Cc1nc(Cc2ccccc2F)no1
178295738	ZINC000082791007	ref	1.84	-49.62	1	278.171	1.57	1	2	3	C[C@@H](C[NH3+])S(=O)(=O)c1cccc(Br)c1
342085016	ZINC000625349518	mid	7.36	-40.27	1	268.401	1.744	1	2	6	CCO[C@H](C[N@H+]1CCN(CC)C(=O)C1(C)C)C1CC1
342085017	ZINC000625349518	mid	5.27	-6.61	0	268.401	1.744	0	3	6	CCO[C@H](CN1CCN(CC)C(=O)C1(C)C)C1CC1
342085018	ZINC000625348915	ref	4.61	-31.5	1	254.374	1.387	2	2	6	CCO[C@H](C[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)C1CC1
342085019	ZINC000625348915	mid	4.6	-34.99	1	254.374	1.387	2	2	6	CCO[C@H](C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O)C1CC1
365626318	ZINC000172844677	ref	6.51	-25.06	0	292.383	1.468	1	4	5	CCC[C@@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
178295740	ZINC000082791007	high	1.48	-9.02	0	278.171	1.57	1	3	3	C[C@@H](CN)S(=O)(=O)c1cccc(Br)c1
342085020	ZINC000625348915	high	3.18	-7.24	0	254.374	1.387	1	3	6	CCO[C@H](CN1CC[C@@H](C)C[C@@H]1C(N)=O)C1CC1
282120995	ZINC000248960958	ref	3.54	-7.54	0	304.456	1.899	1	3	3	C[C@H]1CN(S(=O)(=O)N[C@H]2CCC[C@@H](C)CC2)[C@H](C)CO1
365626324	ZINC000172844587	ref	5.08	-18.8	0	298.346	1.644	2	3	3	Cc1ccc(N2CCC[C@H](NC(=O)c3cn[nH]c3)C2=O)cc1
342085021	ZINC000625350686	ref	3.21	-12.11	0	285.356	1.576	0	3	5	COCCCS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342085022	ZINC000625349420	ref	4.33	-9.97	0	273.398	1.783	0	3	6	C=CC[C@H]1CCN(S(=O)(=O)CC[C@H]2CCCO2)C1
178295744	ZINC000082791000	ref	2.48	-56.39	1	292.198	1.818	1	2	4	C[C@H](C[NH3+])CS(=O)(=O)c1cccc(Br)c1
178295746	ZINC000082791008	ref	1.77	-51.09	1	278.171	1.57	1	2	3	C[C@H](C[NH3+])S(=O)(=O)c1cccc(Br)c1
349533671	ZINC000093259234	low	3.1	-40.34	1	271.361	0.801	2	3	2	C[C@H]1C[N@@H+](CC(N)=O)[C@H](C)CN1C(=O)OC(C)(C)C
349533676	ZINC000093260117	ref	3.39	-41.03	1	259.309	0.657	2	3	4	C#CC[NH+]1CCC(Oc2ccnc(C(N)=O)c2)CC1
230741520	ZINC000450467384	ref	7.61	-15.11	0	301.394	1.987	1	6	3	C[C@H]1C[C@@H]1c1nnc2ccc(N(C)[C@@H]3CC[C@@H](O)CC3)nn12
282120998	ZINC000248964163	ref	8.47	-85.88	0	320.389	1.255	2	4	7	C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[N@H+](C)Cc1ccccc1
349533681	ZINC000093260117	mid	0.97	-8.35	0	259.309	0.657	1	4	4	C#CCN1CCC(Oc2ccnc(C(N)=O)c2)CC1
349533687	ZINC000093240329	ref	2.42	-11.44	0	282.344	0.764	2	5	4	COCCn1ccc(NC(=O)N2CC[C@H](C)[C@H](O)C2)n1
282121002	ZINC000248964163	mid	8.52	-84.49	0	320.389	1.255	2	4	7	C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[N@@H+](C)Cc1ccccc1
365626335	ZINC000643088253	ref	3.39	-58.46	1	274.43	1.708	1	2	4	C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCC1CCCCC1
178295747	ZINC000082791008	high	1.29	-10.54	0	278.171	1.57	1	3	3	C[C@H](CN)S(=O)(=O)c1cccc(Br)c1
365626339	ZINC000172844161	ref	6.47	-10.77	0	282.34	1.698	1	3	4	C[C@@H](CN1C(=O)[C@H](C)NC1=S)Oc1ccc(F)cc1
342085023	ZINC000625349628	ref	4.49	-8.98	0	270.354	1.878	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2c(C)noc2C)C1
349533692	ZINC000093230972	ref	3.48	-53.05	1	253.258	0.817	2	4	6	Cc1ccc([N+](=O)[O-])cc1NC(=O)COCC[NH3+]
349533698	ZINC000093231838	ref	3.56	-54.05	1	267.285	0.229	2	4	8	[NH3+]CCOCC(=O)NCCc1ccc([N+](=O)[O-])cc1
290009883	ZINC000551620851	ref	3.75	-9.06	0	263.293	1.1	2	4	3	COC(=O)[C@@H](C)NC(=O)[C@@H]1CCc2cccc(O)c21
365626320	ZINC000122239256	ref	6.26	-11.69	0	276.384	2.099	2	2	1	C[C@H]1CCCN(C(=O)N[C@H]2CCc3n[nH]cc3C2)CC1
197599870	ZINC000290116200	ref	5.46	-9.87	0	298.346	2.166	0	5	4	Cc1cnccc1-c1nc([C@@H]2CC(=O)N(CC3CC3)C2)no1
230741527	ZINC000414359468	ref	8.43	-11.68	0	304.39	3.287	0	3	5	CC(C)C[C@H]1C(=O)N(c2cccc(OC(C)C)c2)C(=O)N1C
365626330	ZINC000122238934	ref	6.47	-18.37	0	293.411	2.08	1	3	4	CC(=O)N1CCC(CCC(=O)N[C@@H](C#N)C(C)(C)C)CC1
365626340	ZINC000122301338	ref	3.47	-8.77	0	250.317	2.25	1	2	6	C=C(C)CN(CC)[C@H](C(N)=O)c1ccc(F)cc1
197599872	ZINC000290116334	ref	3.11	-8.61	0	289.335	2.944	0	6	5	COC(C)(C)c1nc(-c2ccnc(OC3CCC3)c2)no1
365626350	ZINC000122301338	mid	5.32	-35.61	1	250.317	2.25	2	1	6	C=C(C)C[N@@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1
365626355	ZINC000122301338	mid	5.18	-33.93	1	250.317	2.25	2	1	6	C=C(C)C[N@H+](CC)[C@H](C(N)=O)c1ccc(F)cc1
365626363	ZINC000122226463	ref	4.3	-7.79	0	268.382	2.448	2	3	8	C=CCCOCCNC(=O)NCc1ccc(C)s1
342085024	ZINC000625348922	ref	4.13	-9.41	0	299.383	1.964	0	3	5	CC(C)OCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342085025	ZINC000625349465	ref	4.53	-11.24	0	273.398	1.783	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H]2CCCCO2)C1
365626372	ZINC000122237035	ref	7.06	-18.9	0	293.411	2.078	1	3	5	CCC[C@H](C)N1C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)CC1=O
365626381	ZINC000122193306	ref	8.21	-42.83	1	292.423	2.092	2	2	10	COCCCCC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C
342085026	ZINC000625348919	ref	4.14	-9.34	0	299.383	1.964	0	3	5	CC(C)OCCS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
365626387	ZINC000122193306	high	5.24	-8.06	0	292.423	2.092	1	3	10	COCCCCC(=O)NC[C@H](Cc1ccccc1)N(C)C
365626394	ZINC000122209932	ref	5.9	-9.95	0	259.353	2.122	1	3	5	C#CCN(Cc1nc(CC)cc(=O)[nH]1)C1CCCC1
365626400	ZINC000122209932	mid	8.38	-44.35	1	259.353	2.122	2	2	5	C#CC[N@@H+](Cc1nc(CC)cc(=O)[nH]1)C1CCCC1
342085027	ZINC000625348851	ref	3.86	-12.96	0	297.367	1.718	0	3	3	C[C@@H]1CN(S(=O)(=O)C[C@@H]2CCCO2)C[C@@H](C)C1(F)F
342085028	ZINC000625348865	ref	2.58	-13.23	0	299.392	1.253	1	4	5	CO[C@@H](C)CS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342085029	ZINC000625351519	ref	7.26	-4.25	0	278.396	1.941	1	2	2	C[C@@]1(CNC(=O)C(=O)N2CCCCCC2)C[C@@H]2C[C@@H]2C1
342085030	ZINC000625348912	ref	4.79	-31.34	1	254.374	1.387	2	2	6	CCO[C@H](C[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O)C1CC1
342085031	ZINC000625348912	mid	4.82	-36.59	1	254.374	1.387	2	2	6	CCO[C@H](C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O)C1CC1
342085032	ZINC000625348912	high	3.77	-8.68	0	254.374	1.387	1	3	6	CCO[C@H](CN1CC[C@H](C)C[C@@H]1C(N)=O)C1CC1
178295752	ZINC000191998374	ref	3.49	-50.9	1	245.326	2.398	3	1	3	Cc1cc2cc(NC(=O)[C@H](C)[C@H](C)[NH3+])ccc2[nH]1
197599877	ZINC000290116029	ref	5.29	-23.44	0	292.291	0.551	1	5	4	COC(=O)COCC(=O)N1CCC(=O)Nc2ccccc21
197599878	ZINC000290116931	ref	11.12	-12.21	0	288.37	2.924	0	4	3	C[C@H]1CCCCN1c1nnc(Cc2ccc(F)cc2)n1C
214178976	ZINC000053363770	mid	2.97	-48.88	1	327.45	1.639	3	3	7	CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
342600037	ZINC000616997903	mid	4.96	-44.18	1	291.395	1.946	3	2	3	Cc1[nH]c(=O)ccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600038	ZINC000617000292	ref	2.29	-48.74	0	283.397	1.699	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc(=O)[nH]2)C1
214178979	ZINC000053363770	mid	0.69	-14.7	0	327.45	1.639	2	4	7	CC(C)CCN(C)[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1
342600039	ZINC000617000292	mid	3.28	-47.24	1	283.397	1.699	3	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(=O)[nH]2)C1
365626321	ZINC000625046317	ref	6.78	-36.16	1	322.424	2.31	1	3	6	CO[C@@H](CN1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1
365626326	ZINC000625046317	mid	4.45	-5.15	0	322.424	2.31	0	4	6	CO[C@@H](CN1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1
342600040	ZINC000617000292	high	2.24	-48.79	0	283.397	1.699	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1
214178982	ZINC000053362299	ref	6.18	-15.31	0	334.441	2.074	1	4	4	COc1cc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)ccc1C
214178986	ZINC000053373078	ref	3.61	-50.44	1	344.415	0.928	4	3	7	O=C(CC[C@H]1NC(=O)NC1=O)NC[C@H](c1ccccc1)[NH+]1CCCC1
214178990	ZINC000053359467	ref	5.9	-15.36	0	345.453	2.928	1	7	6	CCCc1cc(=O)[nH]c(SCc2csc(-c3ncccn3)n2)n1
214178995	ZINC000053359467	mid	4.75	-53.25	-1	345.453	2.928	0	7	6	CCCc1cc(=O)[n-]c(SCc2csc(-c3ncccn3)n2)n1
214178998	ZINC000053362302	ref	6.18	-15.49	0	334.441	2.074	1	4	4	COc1cc(CNC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)ccc1C
214179003	ZINC000053357511	ref	9.01	-14.48	0	334.42	3.084	2	4	6	O=C(CSc1nc[nH]n1)N[C@@H](c1ccc(F)cc1)C1CCCC1
342600041	ZINC000617000292	high	2.29	-48.74	0	283.397	1.699	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2csc(=O)[n-]2)C1
342600042	ZINC000364857430	ref	6.62	-14.78	0	299.346	1.706	0	4	3	CCN(CC#N)C(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
214179012	ZINC000053361369	ref	7.92	-23.6	0	341.4	1.466	0	9	5	Cc1c(-n2nnnc2SCCC#N)c(=O)n(-c2ccccc2)n1C
168365517	ZINC000043334302	mid	4.16	-30.5	1	194.278	1.764	2	2	3	C[C@@H](N)[C@@H](c1ccco1)[NH+]1CCCC1
178295753	ZINC000237912303	ref	4.22	-47.27	1	243.31	2.024	3	1	2	Cc1cc2cc(NC(=O)[C@H]3CC[NH2+]C3)ccc2[nH]1
398247435	ZINC000651457190	ref	6.97	-39.09	1	279.811	3.47	2	1	5	OCC1(CC[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1
178295764	ZINC000179580701	ref	4.99	-36.87	1	247.338	3.081	2	2	4	Cc1cc2cc([C@@H](C)[NH2+]C[C@H](C)O)oc2cc1C
365626323	ZINC000576566212	ref	9.24	-11.68	0	237.303	2.926	0	4	3	Cc1cn(CC2CCC(C)CC2)nc1[N+](=O)[O-]
230741536	ZINC000450468367	ref	7.54	-10.18	0	324.428	1.932	0	4	6	O=C1CN(Cc2ccn(CCc3ccccc3)n2)CCN1C1CC1
365626332	ZINC000576567088	ref	4.4	-52.07	1	245.326	2.03	3	1	3	C=C(C)CNC(=O)Nc1cccc2c1CC[NH2+]C2
365626341	ZINC000576567088	high	2.98	-8.43	0	245.326	2.03	3	2	3	C=C(C)CNC(=O)Nc1cccc2c1CCNC2
178295768	ZINC000179580701	high	3.74	-7.81	0	247.338	3.081	2	3	4	Cc1cc2cc([C@@H](C)NC[C@H](C)O)oc2cc1C
342085033	ZINC000625349503	ref	4.95	-10.28	0	267.341	1.949	0	2	3	C[C@H]1CN(S(=O)(=O)CC2CC2)C[C@H](C)C1(F)F
178295773	ZINC000107145635	ref	1.81	-17.62	0	204.229	1.407	3	2	2	Cc1cc2cc(NC(=O)CO)ccc2[nH]1
178295776	ZINC000029253601	ref	4.59	-7.59	0	214.268	2.706	2	1	0	Cc1cc2cc3c(cc2[nH]1)NC(=O)C3(C)C
365626348	ZINC000576569771	ref	5.64	-8.98	0	249.358	2.416	2	2	4	C[C@H]1CCC[C@H](CNC(=O)NCC2(C#N)CC2)C1
365626356	ZINC000576570011	ref	5.41	-32.87	1	247.342	2.101	1	3	2	Cc1cnc([C@@H](C)[NH+]2CCC3(CCO3)CC2)cn1
398247437	ZINC000651456476	ref	8.42	-7.92	0	264.413	3.397	1	1	3	CC(C)C[C@H]1CCN(C(=O)NC2CC3(CCC3)C2)C1
398247440	ZINC000651455111	ref	7.89	-7.69	0	250.386	3.149	1	1	2	CC[C@@H]1C[C@H](C)CN1C(=O)NC1CC2(CCC2)C1
365626364	ZINC000576570011	mid	3.29	-6.34	0	247.342	2.101	0	4	2	Cc1cnc([C@@H](C)N2CCC3(CCO3)CC2)cn1
178295783	ZINC000121835731	ref	3.35	-7.59	0	245.282	1.503	2	2	1	Cc1cc2cc(NC(=O)C(=O)N(C)C)ccc2[nH]1
214178978	ZINC000337606341	ref	0.86	-18.63	0	264.272	0.918	2	3	7	NC(=O)CCCC(=O)N[C@@H]1CCC[C@@H]1OC(F)F
178295788	ZINC000020271034	ref	4.52	-7.71	0	221.643	2.925	0	3	0	Cc1cc2cc3c(cc2nc1Cl)OCO3
178295796	ZINC000102906049	ref	9.02	-11.12	0	227.263	2.478	0	3	1	Cc1cc2ccc(=O)oc2cc1N1CC=CC1
342085034	ZINC000625349268	ref	2.59	-11.52	0	299.392	1.254	1	4	6	CCOCCS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342085035	ZINC000625350680	ref	2.86	-37.95	1	285.428	1.669	4	3	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)CC1(O)CCCCCC1
342085036	ZINC000625350680	mid	2.91	-37.02	1	285.428	1.669	4	3	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)CC1(O)CCCCCC1
342085037	ZINC000621358861	ref	1.8	-49.25	1	268.357	1.357	2	4	9	CCOc1cncc(C[NH2+]CC[C@](C)(O)COC)c1
342085038	ZINC000621358861	high	0.44	-7.09	0	268.357	1.357	2	5	9	CCOc1cncc(CNCC[C@](C)(O)COC)c1
185091260	ZINC000096080891	ref	8.51	-46.53	1	252.402	2.223	1	1	5	CCCCC[NH+]1C[C@@H]2CN(C(=O)C(C)C)C[C@H]2C1
185091262	ZINC000096081094	ref	8.06	-41.93	1	293.414	2.645	1	2	4	c1ccc(C[NH+]2C[C@H]3CN(Cc4ccncc4)C[C@@H]3C2)cc1
185091263	ZINC000096081094	low	10.63	-115.0	2	293.414	2.645	2	1	4	c1ccc(C[NH+]2C[C@H]3C[NH+](Cc4ccncc4)C[C@@H]3C2)cc1
349533674	ZINC000618810715	ref	6.51	-7.65	0	287.425	1.782	0	5	3	CC(C)(C)OC(=O)[C@@H]1CN(C[C@@H]2CCSC2)CCO1
398247439	ZINC000181784827	ref	6.12	-8.01	0	244.269	3.09	1	2	2	Cc1ccc(C(=O)Nc2cccc(C)c2F)cn1
185091265	ZINC000096081554	ref	3.37	-11.41	0	274.32	0.345	1	3	3	O=C1CO[C@@H]2CN(C(=O)CCc3ccccc3)C[C@H]2N1
222609352	ZINC000283764035	ref	4.36	-12.17	0	305.374	1.99	2	4	8	CCCOc1ccc(C(=O)NCC#CCO)cc1OCCC
342085039	ZINC000625352733	ref	3.82	-10.77	0	282.384	1.007	1	3	3	CC[C@@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](O)C1
214178983	ZINC000337608884	ref	5.25	-11.19	0	292.379	3.324	2	3	6	CCC1(CNC(=O)Nc2cc(OC)cc(OC)c2C)CC1
299072487	ZINC000354604407	low	3.52	-61.18	1	339.461	0.801	2	4	7	C[C@@H](CC[S@@](C)=O)NC(=O)c1ccc(C[NH+]2CCOCC2)cn1
197599888	ZINC000290114309	ref	7.88	-47.92	1	290.382	2.387	1	1	3	C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1F
187167099	ZINC000125042369	ref	5.26	-15.4	0	281.381	2.35	1	4	2	CCc1cnc(NC(=O)N2CC[C@@]3(CCOC3)C2)s1
214178987	ZINC000337606800	ref	0.37	-17.78	0	250.364	0.478	2	3	8	CCCC[C@H](C)C(=O)NCCS(=O)(=O)NC
342085040	ZINC000625352522	ref	5.15	-5.23	0	284.4	1.398	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1CCCCCC1
342085041	ZINC000625351897	ref	4.29	-5.39	0	287.363	1.027	1	3	3	C/C=C\CNC(=O)C(=O)N1CCN(c2ccccc2)CC1
342085042	ZINC000625352166	ref	2.84	-14.64	0	250.298	1.275	1	4	6	COc1ccc(COCC(=O)NC2CCC2)cn1
342085043	ZINC000625352559	ref	4.51	-15.25	0	292.379	1.526	2	3	7	Cc1ccc(CO[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)cc1
342085044	ZINC000625352355	ref	5.55	-5.27	0	298.427	1.356	1	3	6	CC(C)CN(CC(C)C)C(=O)C(=O)N(C)C[C@@H]1C[C@H](O)C1
342085045	ZINC000625352935	ref	4.82	-5.11	0	284.4	1.566	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1CCC[C@@H](C)C1)OCC
342085046	ZINC000625351865	ref	4.66	-12.25	0	292.354	1.945	2	2	5	CC(C)[C@H](NC(=O)[C@@H]1CC[C@H]1c1ccc(F)cc1)C(N)=O
342085047	ZINC000625352454	ref	5.76	-4.68	0	250.342	1.471	1	2	2	O=C(NCC1CC=CC1)C(=O)N1CCCCCC1
342085048	ZINC000625351863	ref	4.57	-10.76	0	292.354	1.945	2	2	5	CC(C)[C@H](NC(=O)[C@H]1CC[C@H]1c1ccc(F)cc1)C(N)=O
342085049	ZINC000625353001	ref	5.14	-4.52	0	250.342	1.327	1	2	2	C[C@@H]1CCCN(C(=O)C(=O)NCC2CC=CC2)C1
290623308	ZINC000423576294	ref	7.01	-43.91	1	319.449	1.378	1	2	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H](C3)[NH2+]4)C2)C1
230741541	ZINC000425570435	ref	6.28	-12.0	0	302.353	2.418	2	3	4	C[C@H](NC(=O)N[C@@H]1C[C@]1(F)c1ccccc1)c1ccn(C)n1
342085050	ZINC000625352176	ref	6.06	-5.45	0	298.427	1.787	1	3	5	CCC(O)(CC)CN(C)C(=O)C(=O)N(C)C1CCCCC1
342085051	ZINC000625352558	ref	4.85	-14.94	0	292.379	1.526	2	3	7	Cc1ccc(CO[C@@H](C)C(=O)N[C@@H](C(N)=O)C(C)C)cc1
342085052	ZINC000625351862	ref	6.67	-4.2	0	278.396	1.797	1	2	2	C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)C1
136228711	ZINC000285189697	ref	2.77	-7.82	0	239.225	1.353	2	2	3	C#CCNC(=O)N[C@@H](C)c1c(F)cncc1F
342085053	ZINC000625352461	ref	5.17	-5.09	0	294.395	1.485	1	3	3	C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CC=CCC2)C[C@@H](C)O1
342085054	ZINC000625352937	ref	4.81	-5.15	0	284.4	1.566	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)OCC
365626329	ZINC000625046317	low	6.9	-38.71	1	322.424	2.31	1	3	6	CO[C@@H](C[NH+]1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1
230741547	ZINC000425571494	ref	6.02	-11.54	0	302.353	2.34	2	3	5	CCn1ccc(CNC(=O)N[C@H]2C[C@]2(F)c2ccccc2)n1
365626337	ZINC000625049284	ref	5.93	-11.36	0	312.435	2.048	0	4	9	CCO[C@H](CS(=O)(=O)N(CC)Cc1ccccn1)C1CC1
365626346	ZINC000625045540	ref	6.84	-13.66	0	303.328	2.401	0	3	6	CCN(CC)C(=O)CN(C)Cc1cccnc1C(F)(F)F
342085055	ZINC000625351861	ref	6.68	-4.18	0	278.396	1.797	1	2	2	C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C1
342085056	ZINC000625352624	ref	2.19	-8.58	0	252.314	1.399	2	3	6	CC(C)[C@H](NC(=O)C[C@H](C)c1ccco1)C(N)=O
230741558	ZINC000425574095	ref	3.62	-20.16	0	318.483	2.325	2	3	7	C[C@H]1CCC[C@@H]([C@H](C)NC(=O)NCCCCS(C)(=O)=O)C1
342085057	ZINC000608946143	ref	6.42	-9.88	0	267.285	1.184	0	5	2	C[C@@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCCO1
342085058	ZINC000625352402	ref	7.28	-4.39	0	278.396	1.941	1	2	2	O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)N1CCCCCC1
342085059	ZINC000625351729	ref	1.82	-10.95	0	284.381	1.131	2	3	4	Cc1cccc2c1C[C@H](NS(=O)(=O)NC(C)C)CO2
230741561	ZINC000425574649	ref	2.51	-9.85	0	317.172	2.457	2	3	5	COCC1(C(=O)Nc2cc(C(N)=O)c(Cl)cc2Cl)CC1
365626344	ZINC000172853635	ref	5.96	-6.93	0	274.364	1.629	2	2	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)C(=O)NC2CC2)c1
365626352	ZINC000172844670	ref	6.46	-26.57	0	292.383	1.468	1	4	5	CCC[C@H](C)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
299072488	ZINC000176368929	ref	6.09	-16.82	0	338.473	2.981	1	3	5	C[C@H](NC(=O)N(C)[C@@H](C)C1(C)CC1)c1ccc(S(C)(=O)=O)cc1
365626358	ZINC000643088240	ref	2.83	-58.38	1	260.403	1.318	1	2	4	C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)CCC1CCCC1
365626365	ZINC000172853516	ref	0.94	-18.98	0	299.327	1.674	1	6	5	Cc1cc(F)ccc1NCc1nc(CS(C)(=O)=O)no1
365626371	ZINC000172852284	ref	3.16	-11.6	0	277.368	1.407	3	2	5	Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H](C)NC(N)=O)c1
365626376	ZINC000172844264	ref	5.71	-12.67	0	294.376	1.568	1	4	5	COc1ccc(O[C@H](C)CN2C(=O)[C@H](C)NC2=S)cc1
398247441	ZINC000356343440	ref	6.44	-36.22	1	201.354	2.827	1	1	9	CCC[C@H](C)C[NH2+]C[C@@H](CCC)OC
197599895	ZINC000290116825	ref	5.7	-10.37	0	298.346	3.371	0	6	3	Cc1ccc(-c2noc(C(C)(C)c3c(C)noc3C)n2)cn1
398247443	ZINC000181786228	ref	5.29	-6.51	0	234.23	2.683	1	3	2	Cc1cc(C(=O)Nc2cccc(C)c2F)on1
214178989	ZINC000293503390	ref	2.43	-15.42	0	360.393	0.826	3	5	3	O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CC[C@](O)(c2cn[nH]n2)C1
342085060	ZINC000625352573	ref	4.33	-7.08	0	282.384	1.007	1	3	3	CN(C[C@@H]1C[C@H](O)C1)C(=O)C(=O)N(C)C1CCCCC1
342085061	ZINC000625352570	ref	1.3	-12.23	0	260.24	1.457	2	3	5	CC(C)[C@H](NC(=O)c1ccc(C(F)F)o1)C(N)=O
282120997	ZINC000449151022	ref	5.52	-96.24	2	280.412	2.037	3	2	9	C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO
282120999	ZINC000449151022	mid	5.97	-91.97	2	280.412	2.037	3	2	9	C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO
282121001	ZINC000449150814	ref	4.56	-9.89	0	279.409	2.458	2	4	4	CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N)cn1
342085062	ZINC000625352076	ref	5.22	-6.18	0	250.342	1.471	1	2	3	O=C(NCC[C@@H]1CC=CCC1)C(=O)N1CCCC1
342085063	ZINC000625352011	ref	4.06	-4.83	0	293.411	1.013	1	3	4	CCN1CCN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)CC1
342085064	ZINC000625352011	low	6.42	-37.97	1	293.411	1.013	2	2	4	CC[NH+]1CCN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)CC1
342085065	ZINC000625352138	ref	6.36	-3.99	0	278.396	1.941	1	2	2	C[C@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC23CC3)C1
342085066	ZINC000625352394	ref	5.41	-5.6	0	284.4	1.71	1	3	6	CCC[C@H](CNC(=O)C(=O)N1CCCCCC1)OCC
342085067	ZINC000625352012	ref	4.13	-8.3	0	268.382	1.575	1	2	4	CN(C)S(=O)(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C
214178991	ZINC000337606744	ref	2.65	-10.1	0	292.326	0.984	1	4	5	CCN1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2OC(F)F)C1
214178993	ZINC000337606744	mid	5.06	-46.59	1	292.326	0.984	2	3	5	CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2OC(F)F)C1
214178996	ZINC000337606744	mid	4.89	-40.88	1	292.326	0.984	2	3	5	CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCC[C@@H]2OC(F)F)C1
185091268	ZINC000096081151	ref	1.76	-12.77	0	280.349	0.647	1	3	2	Cc1ccc(S(=O)(=O)N2CC[C@H]3NC(=O)C[C@@H]32)cc1
185091269	ZINC000096080859	ref	9.02	-50.5	1	272.392	2.233	1	1	3	CC(C)C(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1
185091271	ZINC000096080859	mid	9.04	-49.53	1	272.392	2.233	1	1	3	CC(C)C(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1
185091272	ZINC000096081349	ref	7.08	-64.11	1	295.346	1.251	1	4	3	O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccncc2)N1c1cncnc1
185091274	ZINC000096081349	mid	6.87	-62.96	1	295.346	1.251	1	4	3	O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccncc2)N1c1cncnc1
343995034	ZINC000625565447	mid	8.95	-32.24	1	219.303	3.118	1	0	2	Cc1ccc(C[N@H+]2CC3CC2(C)C3)cc1F
214179000	ZINC000337607369	ref	5.48	-9.72	0	293.436	2.086	1	4	5	CS[C@H](C)CCC(=O)N1CCN[C@@H](c2cccnc2)C1
365626353	ZINC000625045540	low	7.93	-43.26	1	303.328	2.401	1	2	6	CCN(CC)C(=O)C[N@H+](C)Cc1cccnc1C(F)(F)F
197599901	ZINC000162920911	ref	8.32	-18.94	0	303.387	1.36	0	5	3	CN(C(=O)Cn1cnc2ccccc2c1=O)[C@H]1CCSC1
365626361	ZINC000625045540	low	7.93	-43.44	1	303.328	2.401	1	2	6	CCN(CC)C(=O)C[N@@H+](C)Cc1cccnc1C(F)(F)F
342600043	ZINC000590845292	ref	3.26	-36.62	1	283.416	1.321	4	2	6	CC(C)(CNC(=O)NC[C@@H](O)C1CC1)[NH+]1CCCCC1
342600044	ZINC000590845292	high	1.36	-6.27	0	283.416	1.321	3	3	6	CC(C)(CNC(=O)NC[C@@H](O)C1CC1)N1CCCCC1
342600045	ZINC000590846960	ref	1.79	-10.13	0	290.747	1.785	2	4	9	COCCOCCCNC(=O)NCc1ccc(Cl)o1
282121000	ZINC000151610938	ref	2.35	-10.31	0	300.443	2.291	3	3	10	CCC(CC)(CO)CNC(=O)NCC1(CCOC)CCC1
365626368	ZINC000625049574	ref	6.63	-18.67	0	307.438	2.217	1	2	2	CC(C)(C)[C@H]1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
214179001	ZINC000337607369	low	6.59	-51.02	1	293.436	2.086	1	3	5	CS[C@H](C)CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1
398247442	ZINC000651457158	ref	8.0	-7.02	0	250.386	3.292	1	1	2	CC[C@@H]1CC[C@@H](C)N1C(=O)NC1CC2(CCC2)C1
342600046	ZINC000616997253	ref	5.61	-38.88	1	270.417	1.896	2	2	6	COC[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600047	ZINC000616997253	mid	5.61	-39.52	1	270.417	1.896	2	2	6	COC[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365626354	ZINC000641593069	low	1.21	-42.13	1	292.314	1.178	2	3	3	C[C@]1(C[C@@H]2CCCN2c2cc[nH+]cc2F)NC(=O)NC1=O
199273246	ZINC000294962646	ref	1.52	-5.67	0	288.189	1.528	1	4	2	C[C@H]1[C@@H](O)CCCN1Cc1c(Br)cnn1C
342085068	ZINC000625351785	ref	5.5	-13.95	0	269.37	1.49	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2cn(CC)cn2)C1
342085069	ZINC000625352136	ref	6.44	-4.1	0	278.396	1.941	1	2	2	C[C@@H]1CCCN(C(=O)C(=O)NC[C@@H]2CCCC23CC3)C1
214178994	ZINC000293503390	mid	2.43	-15.42	0	360.393	0.826	3	5	3	O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CC[C@](O)(c2c[nH]nn2)C1
342085070	ZINC000625352206	ref	5.34	-18.27	0	276.34	1.789	1	5	5	CCn1cc(C(=O)NCCc2c(C)noc2C)c(C)n1
342085071	ZINC000621358862	ref	1.96	-49.29	1	268.357	1.357	2	4	9	CCOc1cncc(C[NH2+]CC[C@@](C)(O)COC)c1
230741560	ZINC000450468565	ref	7.48	-17.35	0	315.348	1.987	1	3	3	C[C@@H]1C[C@]1(C#N)C(=O)N[C@H]1CCCN(c2ccccc2F)C1=O
365626360	ZINC000479763120	ref	1.95	-54.85	1	291.376	1.311	2	3	3	Cc1ccc2cccnc2c1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1
398247444	ZINC000651455153	ref	8.4	-7.97	0	262.397	3.436	1	1	1	O=C(NC1CC2(CCC2)C1)N1C2CCCC1CCC2
342085072	ZINC000621358862	high	0.62	-7.11	0	268.357	1.357	2	5	9	CCOc1cncc(CNCC[C@@](C)(O)COC)c1
178295786	ZINC000082790618	ref	2.42	-58.36	1	265.737	1.848	1	2	4	C[C@@H](C[NH3+])CS(=O)(=O)c1ccc(F)c(Cl)c1
342085073	ZINC000625352249	ref	3.11	-8.87	0	276.327	1.828	2	2	5	CC(C)[C@H](NC(=O)CC1CCC(F)(F)CC1)C(N)=O
365626369	ZINC000641592486	ref	3.47	-15.77	0	272.345	1.464	1	3	7	O=S(=O)(CCCF)NC[C@@H]1C[C@H]1c1cccnc1
365626374	ZINC000641592788	ref	4.89	-13.24	0	280.393	1.905	1	3	7	O=S(=O)(CCC1CC1)NC[C@@H]1C[C@H]1c1cccnc1
299072490	ZINC000358088466	low	6.63	-188.1	3	318.469	1.417	3	3	6	CC[N@@H+]1C[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1
342085074	ZINC000625352612	ref	1.51	-15.2	0	257.311	1.274	1	4	3	Cc1oc(S(C)(=O)=O)cc1C(=O)NC1CCC1
342085075	ZINC000625351864	ref	4.61	-12.28	0	292.354	1.945	2	2	5	CC(C)[C@H](NC(=O)[C@@H]1CC[C@@H]1c1ccc(F)cc1)C(N)=O
342085076	ZINC000625352107	ref	4.85	-8.14	0	276.327	1.796	1	2	4	CCC(F)(F)C(C)(C)CNC(=O)C(=O)N1CCCC1
342085077	ZINC000625352934	ref	4.85	-5.32	0	284.4	1.566	1	3	6	CCC[C@H](CNC(=O)C(=O)N1CCC[C@@H](C)C1)OCC
342085078	ZINC000625352462	ref	5.17	-5.08	0	294.395	1.485	1	3	3	C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)C[C@@H](C)O1
342085079	ZINC000625352095	ref	4.88	-11.15	0	298.427	1.787	1	3	5	CC[C@@H]1CCCCN1C(=O)C(=O)N(C)CC(O)(CC)CC
282121003	ZINC000248964163	high	6.36	-59.04	-1	320.389	1.255	1	5	7	C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)N(C)Cc1ccccc1
230741568	ZINC000414359112	ref	8.32	-10.47	0	303.406	3.285	1	3	6	CCC[C@]1(C)NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O
365626370	ZINC000175933790	ref	7.62	-7.52	0	225.357	2.691	0	3	2	CC(C)Cn1c2c(sc1=O)C[C@@H](C)CC2
365626380	ZINC000343772626	ref	3.82	-5.74	0	215.337	1.898	1	2	3	C[C@H](C(=O)N(C)CC(C)(C)O)C(C)(C)C
365626398	ZINC000576564614	ref	6.07	-8.53	0	235.318	3.22	1	1	6	C[C@H](CC(F)F)C(=O)NCCCC(C)(C)C
365626405	ZINC000576566750	ref	6.5	-30.12	1	227.348	1.912	1	2	6	C[N@H+](CCOC[C@@H]1CCCO1)[C@H]1CC1(C)C
365626412	ZINC000576566750	mid	6.99	-29.08	1	227.348	1.912	1	2	6	C[N@@H+](CCOC[C@@H]1CCCO1)[C@H]1CC1(C)C
365626415	ZINC000576566750	high	4.54	-4.67	0	227.348	1.912	0	3	6	CN(CCOC[C@@H]1CCCO1)[C@H]1CC1(C)C
365626424	ZINC000576566954	ref	2.95	-12.37	0	240.307	0.052	0	6	6	COCCN(Cc1nncn1C)[C@H]1CCOC1
365626433	ZINC000576565430	ref	5.16	-12.53	0	249.295	1.728	1	5	4	COc1cncnc1NC(=O)Cc1cccs1
365626448	ZINC000576569770	ref	5.87	-8.91	0	249.358	2.416	2	2	4	C[C@H]1CCC[C@@H](CNC(=O)NCC2(C#N)CC2)C1
365626459	ZINC000576566748	ref	6.42	-28.72	1	227.348	1.912	1	2	6	C[N@H+](CCOC[C@H]1CCCO1)[C@H]1CC1(C)C
365626464	ZINC000576566748	mid	6.92	-27.47	1	227.348	1.912	1	2	6	C[N@@H+](CCOC[C@H]1CCCO1)[C@H]1CC1(C)C
365626470	ZINC000576566748	high	4.47	-5.16	0	227.348	1.912	0	3	6	CN(CCOC[C@H]1CCCO1)[C@H]1CC1(C)C
365626476	ZINC000576570202	ref	4.11	-52.46	1	231.303	1.131	2	3	1	C[C@H]1CN(c2ncnc3[nH]ccc23)CC[C@H]1[NH3+]
365626480	ZINC000576570202	mid	4.09	-92.36	2	231.303	1.131	2	2	1	C[C@H]1CN(c2[nH+]cnc3[nH]ccc23)CC[C@H]1[NH3+]
365626485	ZINC000576566044	ref	3.9	-8.86	0	223.276	0.81	1	4	5	CCO[C@H]1C[C@H]1NC(=O)c1nccn1CC
214178997	ZINC000293495434	ref	3.86	-13.78	0	356.386	0.507	2	7	2	O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)N1CC[C@H](O)C12CCCC2
342085080	ZINC000625351866	ref	4.66	-12.99	0	292.354	1.945	2	2	5	CC(C)[C@H](NC(=O)[C@H]1CC[C@@H]1c1ccc(F)cc1)C(N)=O
365626494	ZINC000576570144	ref	3.85	-42.93	1	232.331	1.672	1	3	3	[NH3+]C[C@H]1CCCCN1c1ccnc(C2CC2)n1
365626500	ZINC000576570144	low	4.2	-94.49	2	232.331	1.672	1	2	3	[NH3+]C[C@H]1CCCCN1c1cc[nH+]c(C2CC2)n1
365626506	ZINC000576563509	ref	0.48	-6.32	0	217.309	0.935	2	3	6	CC[C@H](C(=O)NC(C)(C)COC)[C@@H](C)O
365626516	ZINC000576570004	ref	2.5	-7.25	0	242.319	0.888	2	3	4	CCO[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCOC[C@@H]1C
365626524	ZINC000576570019	ref	5.41	-33.31	1	247.342	2.101	1	3	2	Cc1cnc([C@H](C)[NH+]2CCC3(CCO3)CC2)cn1
214179004	ZINC000293502771	ref	0.47	-22.85	0	359.404	0.213	3	6	7	CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@H](OC)C(=O)OC)c1
214179011	ZINC000293503163	ref	3.84	-18.42	0	352.456	0.917	1	4	6	O=C(CNS(=O)(=O)CC[C@H]1CCOC1)N1CCc2ccccc2C1
342085081	ZINC000077906338	ref	6.7	-9.14	0	291.274	1.181	1	7	3	N#Cc1ncn(-c2ccc(C(=O)Nc3ccccc3)nn2)n1
365626377	ZINC000625046119	ref	7.14	-19.86	0	319.449	2.36	1	2	2	CC1(C)CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@H]2CCC[C@@H]21
398247445	ZINC000651455778	ref	6.91	-10.47	0	270.38	3.252	1	4	3	Cc1ccc([C@H](C)N[C@H]2C[C@H](C)n3ccnc32)c(C)n1
342085082	ZINC000625352415	ref	5.06	-11.72	0	282.384	1.272	0	3	3	CC[C@H]1CCCCN1C(=O)C(=O)N(C)CC1(C)COC1
365626382	ZINC000625045367	ref	7.26	-19.02	0	307.438	2.36	1	2	3	CC[C@@H]1CC[C@H](C)N(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
342085083	ZINC000625352741	ref	4.57	-26.29	0	294.376	1.056	1	4	2	NC(=O)[C@@H]1CC[C@H](C(=O)N2CCCc3sccc3C2)O1
214179016	ZINC000293497666	ref	7.84	-20.04	0	352.778	0.656	1	7	6	COC(=O)[C@H](NC(=O)CCn1ncn(C)c1=O)c1ccc(Cl)cc1
342085084	ZINC000625351922	ref	1.27	-8.93	0	270.373	1.206	2	3	4	CC(C)[C@H](NC(=O)[C@@H]1CC(C)(C)OC1(C)C)C(N)=O
342085085	ZINC000625352936	ref	4.84	-5.26	0	284.4	1.566	1	3	6	CCC[C@H](CNC(=O)C(=O)N1CCC[C@H](C)C1)OCC
178295808	ZINC000082790631	ref	2.38	-53.99	1	265.737	1.99	1	2	4	CC[C@H](C[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1
365626389	ZINC000625045556	ref	5.63	-9.56	0	313.394	2.476	0	3	2	CC1(C)C[C@@H](S(=O)(=O)N2CCCc3c(F)cccc32)CO1
365626397	ZINC000625049576	ref	6.65	-18.82	0	307.438	2.217	1	2	2	CC(C)(C)[C@@H]1CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
398247448	ZINC000651455778	mid	7.72	-46.64	1	270.38	3.252	1	3	3	Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C)n3ccnc32)c(C)n1
398247450	ZINC000651457183	ref	6.66	-38.45	1	259.393	3.062	2	1	5	C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCC1(CO)CC1
365639568	ZINC000175990832	ref	6.77	-8.6	0	206.249	1.098	2	3	3	Cc1nc(NC(=O)[C@@H]2C[C@H]2C2CC2)n[nH]1
178295810	ZINC000082790631	high	2.22	-7.85	0	265.737	1.99	1	3	4	CC[C@H](CN)S(=O)(=O)c1ccc(F)c(Cl)c1
342085086	ZINC000625351801	ref	4.03	-12.75	0	275.312	1.19	1	6	5	Cc1noc(C)c1CCNC(=O)c1cn(C2CC2)nn1
342085087	ZINC000625352460	ref	4.88	-5.11	0	294.395	1.485	1	3	3	C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CC=CCC2)C[C@@H](C)O1
342085088	ZINC000625352593	ref	3.44	-14.26	0	286.734	1.648	2	2	5	CC(C)[C@H](NC(=O)Cc1ccc(F)c(Cl)c1)C(N)=O
343995036	ZINC000625565447	high	6.51	-3.15	0	219.303	3.118	0	1	2	Cc1ccc(CN2CC3CC2(C)C3)cc1F
342085089	ZINC000625352404	ref	7.3	-4.4	0	278.396	1.941	1	2	2	O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)N1CCCCCC1
214179006	ZINC000337608267	ref	6.01	-13.77	0	286.331	3.172	2	4	4	COc1ccc(O)c(C(=O)Nc2ncccc2C(C)C)c1
214179007	ZINC000337608267	high	7.02	-60.26	-1	286.331	3.172	1	4	4	COc1ccc([O-])c(C(=O)Nc2ncccc2C(C)C)c1
214179010	ZINC000337609732	ref	3.25	-18.41	0	285.296	0.537	1	6	8	CCN(CCOCCO)C(=O)c1cc(C(=O)OC)co1
185091276	ZINC000096081349	mid	4.73	-12.38	0	295.346	1.251	0	5	3	O=C1C[C@H]2[C@H](CCN2Cc2ccncc2)N1c1cncnc1
214179014	ZINC000337606799	ref	0.37	-17.81	0	250.364	0.478	2	3	8	CCCC[C@@H](C)C(=O)NCCS(=O)(=O)NC
214179018	ZINC000337606439	ref	3.65	-23.08	0	284.316	-0.118	1	7	8	CC[C@H](C)OCC(=O)NCc1cn(CC(=O)OC)nn1
214179021	ZINC000337608091	ref	1.48	-50.83	1	270.377	0.283	4	2	7	CC(C)(CNC(=O)NCCC[NH+]1CCCC1)C(N)=O
290623309	ZINC000423576294	mid	5.83	-4.72	0	319.449	1.378	1	3	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H](C3)N4)C2)C1
342085090	ZINC000625351923	ref	1.84	-6.94	0	270.373	1.206	2	3	4	CC(C)[C@H](NC(=O)[C@H]1CC(C)(C)OC1(C)C)C(N)=O
214179026	ZINC000337606438	ref	3.65	-22.99	0	284.316	-0.118	1	7	8	CC[C@@H](C)OCC(=O)NCc1cn(CC(=O)OC)nn1
214179030	ZINC000337610481	ref	2.58	-17.17	0	291.286	0.4	1	4	1	C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(F)cc2n[nH]nc12
214179032	ZINC000337610481	mid	2.43	-14.48	0	291.286	0.4	1	4	1	C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(F)cc2nn[nH]c12
293080588	ZINC000359881462	ref	7.15	-45.3	1	270.417	1.705	1	2	6	COC[C@H](C)[C@H](C)C(=O)N1CC[NH+](CC(C)C)CC1
342085091	ZINC000625352569	ref	1.27	-12.86	0	260.24	1.457	2	3	5	CC(C)[C@@H](NC(=O)c1ccc(C(F)F)o1)C(N)=O
197599914	ZINC000290114920	ref	2.04	-11.38	0	272.308	1.552	1	5	4	CC[C@H](NC(=O)c1cc2n(n1)CCO2)c1ccncc1
190492625	ZINC000269415964	ref	7.01	-15.45	0	299.37	3.079	2	3	6	C[C@H](NC(=O)COc1ccccc1O)[C@@H](C)c1ccccc1
214179034	ZINC000337610481	high	2.37	-46.83	-1	291.286	0.4	0	4	1	C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(F)cc2[n-]nnc12
230235219	ZINC000334048203	ref	-1.42	-14.62	0	286.332	-1.333	3	5	5	CNC(=O)N[C@H]1CCN([C@H](C)C(=O)NCC(=O)OC)C1
230235223	ZINC000334048203	low	0.88	-45.66	1	286.332	-1.333	4	4	5	CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)C(=O)NCC(=O)OC)C1
342085092	ZINC000077910352	ref	1.63	-10.55	0	272.308	1.522	3	5	5	C[C@H](CO)Nc1ccc(C(=O)Nc2ccccc2)nn1
342085093	ZINC000625352560	ref	4.45	-15.1	0	292.379	1.526	2	3	7	Cc1ccc(CO[C@H](C)C(=O)N[C@H](C(N)=O)C(C)C)cc1
342600048	ZINC000590844692	ref	5.36	-17.49	0	292.404	1.86	0	3	2	Cc1ccc(C(=O)N2CC[S@](=O)[C@H](C)C2)c(C2CC2)n1
342600049	ZINC000590844892	ref	5.56	-12.07	0	266.345	1.264	1	4	4	COC[C@H](C)NC(=O)N1CCC[C@H](n2ccnc2)C1
342600050	ZINC000590844892	low	6.27	-35.25	1	266.345	1.264	1	3	4	COC[C@H](C)NC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342600051	ZINC000590845267	ref	6.74	-14.41	0	285.351	1.825	1	4	3	O=C(NCc1ccccn1)N1CCC[C@@H](n2ccnc2)C1
299072491	ZINC000567665848	ref	8.83	-38.19	1	272.392	2.218	1	1	5	C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)C[NH2+]C1CC1
299072494	ZINC000567665848	high	7.54	-7.85	0	272.392	2.218	1	2	5	C[C@H]1[C@H](Cc2ccccc2)CCN1C(=O)CNC1CC1
365626379	ZINC000641593068	ref	4.64	-13.19	0	280.393	1.905	1	3	6	O=S(=O)(CC1CCC1)NC[C@@H]1C[C@H]1c1cccnc1
365626384	ZINC000641592441	ref	5.39	-6.59	0	275.352	1.738	0	5	3	c1nc(C2CC2)cc(N2CCOC[C@@H]2[C@@H]2CCCO2)n1
365626391	ZINC000641592447	ref	5.0	-7.33	0	275.352	1.738	0	5	3	c1nc(C2CC2)cc(N2CCOC[C@@H]2[C@H]2CCCO2)n1
365626396	ZINC000479753941	ref	2.93	-10.7	0	284.4	1.46	2	3	3	CC(C)[C@H]1C[C@@H](NC(=O)N2C[C@@H](C)[C@H](CO)C2)CCO1
365626404	ZINC000479764692	ref	4.28	-44.66	1	279.428	1.317	1	2	3	CC[C@H]1CCCCN1C(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@@H]2C1
365626413	ZINC000479764692	low	6.93	-104.77	2	279.428	1.317	2	1	3	CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
365626419	ZINC000479764692	low	6.93	-101.67	2	279.428	1.317	2	1	3	CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
299072497	ZINC000567665847	ref	8.87	-38.87	1	272.392	2.218	1	1	5	C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)C[NH2+]C1CC1
230741592	ZINC000450471205	ref	5.35	-12.22	0	303.318	1.729	1	6	3	C[C@@H]1CN(c2nccc3c([N+](=O)[O-])cccc23)C[C@@H](CO)O1
230741594	ZINC000450468568	ref	7.43	-14.93	0	315.348	1.987	1	3	3	C[C@@H]1C[C@]1(C#N)C(=O)N[C@@H]1CCCN(c2ccccc2F)C1=O
230741596	ZINC000450470484	ref	2.05	-15.57	0	304.302	1.259	1	6	6	COC[C@@H](NC(=O)c1ocnc1-c1ccccc1)C(=O)OC
365626422	ZINC000641592627	ref	3.85	-11.49	0	283.397	1.361	1	3	7	CCN(CC)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
230741600	ZINC000450468613	ref	4.59	-9.11	0	322.748	1.806	1	5	5	COC[C@H](NC(=O)c1cc(Cl)c2ccccc2n1)C(=O)OC
365626428	ZINC000641592394	ref	2.77	-7.07	0	289.445	1.132	0	3	2	C[C@H]1CCCCN1S(=O)(=O)N1CCN(C)C(C)(C)C1
259308941	ZINC000084077569	ref	5.94	-42.02	-1	247.254	1.321	0	6	2	O=C([O-])c1ccc2nc(C3CCOCC3)nn2c1
365626430	ZINC000641592394	mid	4.96	-41.38	1	289.445	1.132	1	2	2	C[C@H]1CCCCN1S(=O)(=O)N1CC[N@H+](C)C(C)(C)C1
365626383	ZINC000274330357	low	2.3	-35.32	1	266.341	1.062	2	4	5	COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@H](C)O)nc1
230741582	ZINC000425569316	ref	3.06	-10.92	0	319.405	2.259	2	4	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NCc1ccnc(OC(C)C)c1
178295799	ZINC000049341628	ref	4.14	-13.8	0	244.294	2.451	2	2	2	Cc1cc2cc(NC(=O)[C@@H]3CCOC3)ccc2[nH]1
342085094	ZINC000625352135	ref	6.45	-4.1	0	278.396	1.941	1	2	2	C[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC23CC3)C1
342085095	ZINC000625352625	ref	2.22	-8.08	0	252.314	1.399	2	3	6	CC(C)[C@@H](NC(=O)C[C@H](C)c1ccco1)C(N)=O
178295805	ZINC000001526716	ref	5.69	-14.19	0	205.644	3.009	0	2	1	Cc1cc2ccc(C=O)nc2cc1Cl
168365520	ZINC000368506383	ref	8.15	-12.9	0	343.427	3.135	0	5	3	Cc1cccc([C@@]2(F)CCN(Cc3cc(=O)n4ccsc4n3)C2)c1
168365522	ZINC000368506383	low	11.08	-45.54	1	343.427	3.135	1	4	3	Cc1cccc([C@@]2(F)CC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)c1
398247446	ZINC000356349339	ref	2.76	-8.12	0	214.309	1.653	2	2	6	CCC[C@H](CNC(=O)NC1CCC1)OC
398247449	ZINC000356344619	ref	4.73	-111.79	2	248.37	2.536	2	1	6	CCC[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)OC
349533677	ZINC000602429708	ref	5.03	-44.32	1	233.315	0.891	1	2	2	CN(C(=O)C1(C#N)CC2(CC2)C1)[C@H]1CC[NH2+]C1
178295811	ZINC000301183860	ref	5.81	-10.68	0	249.277	2.882	2	4	2	Cc1cc2cc(Nc3nccnc3C#N)ccc2[nH]1
365626385	ZINC000274330357	low	2.54	-37.06	1	266.341	1.062	2	4	5	COc1ccc(C[N@H+]2CCOC[C@H]2C[C@H](C)O)nc1
365626390	ZINC000274328140	ref	8.74	-11.98	0	278.26	1.332	0	6	4	COC(=O)c1cccc(OC(=O)C2(C(=O)OC)CC2)c1
230741589	ZINC000425570698	ref	5.96	-9.97	0	320.408	2.465	3	2	7	O=C(NC[C@@H]1C[C@H]1C1CCC1)N[C@@H](CO)Cc1ccc(F)cc1
365626395	ZINC000274331321	ref	6.3	-22.32	0	289.314	1.976	1	4	2	Cn1cc([C@H]2CCN(C(=O)Nc3cccc(F)n3)C2)cn1
398247451	ZINC000356344619	mid	3.51	-44.82	1	248.37	2.536	2	2	6	CCC[C@H](CN[C@@H]1C[C@@H]([NH3+])c2ccccc21)OC
178295817	ZINC000017224323	ref	6.63	-10.02	0	209.248	2.99	1	1	0	Cc1cc2cc3ccccc3cc2c(=O)[nH]1
197599924	ZINC000162929718	ref	5.2	-10.0	0	309.797	2.781	2	2	3	CCC[C@@H]1C(=O)NCCN1C(=O)Nc1cccc(C)c1Cl
342085096	ZINC000625352421	ref	3.77	-9.53	0	283.393	1.744	1	3	6	COCCS(=O)(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C
342085097	ZINC000625351749	ref	3.54	-9.87	0	296.392	1.227	1	3	4	Cc1cccc2c1C[C@H](NS(=O)(=O)N(C)C1CC1)CO2
342085098	ZINC000625352731	ref	3.81	-10.13	0	282.384	1.007	1	3	3	CC[C@H]1CCCCN1C(=O)C(=O)N(C)C[C@@H]1C[C@H](O)C1
343994621	ZINC000599272417	ref	4.1	-49.04	1	296.411	1.557	2	4	4	C[C@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
342085099	ZINC000625352561	ref	4.8	-15.13	0	292.379	1.526	2	3	7	Cc1ccc(CO[C@H](C)C(=O)N[C@@H](C(N)=O)C(C)C)cc1
365626388	ZINC000172852280	ref	3.16	-11.59	0	277.368	1.407	3	2	5	Cc1cc(C)cc(C[C@H](C)NC(=O)[C@@H](C)NC(N)=O)c1
365626392	ZINC000172847647	ref	3.79	-18.5	0	294.399	1.458	2	4	7	Cc1c([C@@H](C)NC(=O)CCNC(=O)CC(C)C)cnn1C
230741593	ZINC000425568577	ref	2.81	-13.99	0	320.422	2.18	2	6	7	C=CCn1cc(CNC(=O)N[C@H](CC)c2nc(C)cs2)nn1
365626399	ZINC000172848179	ref	3.93	-20.9	0	294.399	1.458	2	4	7	Cc1nn(C)cc1[C@@H](C)NC(=O)CCNC(=O)CC(C)C
365626408	ZINC000172851175	ref	5.3	-17.02	0	274.364	1.629	2	2	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@H]2CCC(=O)N2)c1
365626416	ZINC000172853641	ref	5.14	-10.87	0	293.411	1.758	1	4	5	Cc1nn(C)c(C)c1C[C@H](C)C(=O)NC[C@@H]1CCCOC1
365626425	ZINC000643088231	ref	4.11	-54.67	1	280.393	1.294	1	2	3	C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
365626429	ZINC000172851166	ref	5.31	-17.41	0	274.364	1.629	2	2	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)[C@@H]2CCC(=O)N2)c1
230741605	ZINC000425571453	ref	5.42	-21.41	0	318.483	2.423	1	3	8	CN(CCC1CCCCC1)C(=O)NCCCCS(C)(=O)=O
365626435	ZINC000643088301	ref	4.37	-54.41	1	296.436	1.922	1	2	4	CCc1cccc(CC)c1S(=O)(=O)N1CC[C@H]([NH3+])[C@H]1C
365626440	ZINC000172853652	ref	5.15	-10.68	0	293.411	1.758	1	4	5	Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC[C@H]1CCCOC1
230741612	ZINC000425570437	ref	6.08	-10.52	0	302.353	2.418	2	3	4	C[C@H](NC(=O)N[C@H]1C[C@]1(F)c1ccccc1)c1ccn(C)n1
230741614	ZINC000425570417	ref	5.48	-13.37	0	303.41	2.4	2	4	7	C=CCn1cc(CNC(=O)NCC(C)(C)C2=CCCC2)nn1
365626447	ZINC000189242320	ref	3.42	-12.16	0	264.272	1.379	1	3	7	CCC[C@]1(C)NC(=O)N(CCOCC(F)F)C1=O
230741618	ZINC000425574436	ref	4.88	-13.5	0	322.409	2.355	1	5	7	CO[C@@H](C)c1noc(CN(C)C(=O)NC[C@@H]2C[C@H]2C2CCC2)n1
365626462	ZINC000172844594	ref	4.99	-19.58	0	298.346	1.644	2	3	3	Cc1ccc(N2CCC[C@@H](NC(=O)c3cn[nH]c3)C2=O)cc1
342085100	ZINC000625352082	ref	5.42	-5.57	0	250.342	1.161	1	2	2	O=C(NC[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)N1CCCC1
342085101	ZINC000625352627	ref	1.26	-14.59	0	287.319	1.18	3	3	4	CC(C)[C@H](NC(=O)c1cccc2cc(=O)[nH]cc12)C(N)=O
342085102	ZINC000625352463	ref	4.88	-5.12	0	294.395	1.485	1	3	3	C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CC=CCC2)C[C@@H](C)O1
342085103	ZINC000625352009	ref	4.06	-4.85	0	293.411	1.013	1	3	4	CCN1CCN(C(=O)C(=O)NCC[C@H]2CC=CCC2)CC1
365626401	ZINC000625047034	ref	7.57	-18.58	0	319.449	2.362	1	2	3	CC1(C2CC2)CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1
365626411	ZINC000625047480	ref	4.94	-11.4	0	320.437	2.418	0	5	6	CCC(CC)C(=O)N1CCN(Cc2noc(C3CCC3)n2)CC1
365626420	ZINC000625048942	ref	5.67	-8.66	0	304.39	2.289	0	3	1	C[C@H]1CN(C(=O)N2CCOC[C@H]2c2ccccc2)C[C@@H](C)O1
365626431	ZINC000625045552	ref	7.69	-38.11	1	323.403	2.061	1	2	7	CCCN(CC(F)(F)F)C(=O)CN1CC[NH+](CC(C)C)CC1
365626441	ZINC000625045552	high	5.69	-8.48	0	323.403	2.061	0	3	7	CCCN(CC(F)(F)F)C(=O)CN1CCN(CC(C)C)CC1
214179008	ZINC000278477180	low	10.43	-74.97	2	314.364	2.577	2	2	4	O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@@H+]1C1CC1
230741613	ZINC000450468047	ref	7.8	-14.65	0	317.393	1.488	0	7	4	COC[C@@H]1CN(c2ccc3nnc([C@@H]4C[C@@H]4C)n3n2)C[C@H](C)O1
365626449	ZINC000625046660	ref	5.15	-41.27	1	315.36	2.386	3	3	8	C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)CC1(O)CCC1
136228712	ZINC000285181839	ref	7.7	-29.02	1	231.343	2.118	3	2	4	C[C@@H]1C[NH+]=C(NCC[C@@H](C)c2ccccc2)N1
136228713	ZINC000285180957	ref	3.5	-9.98	0	216.244	1.761	1	4	3	C#CCC(C)(C)c1nc(-c2ncc[nH]2)no1
230741617	ZINC000450471246	ref	7.41	-10.2	0	303.322	1.674	1	6	5	C[C@@H](CNc1ncc(C#N)cc1[N+](=O)[O-])N1CCCCC1=O
365626457	ZINC000625046660	mid	5.14	-43.0	1	315.36	2.386	3	3	8	C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@H](O)CC1(O)CCC1
230741621	ZINC000450470610	ref	6.14	-9.9	0	311.765	1.748	1	4	6	COC[C@@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C(=O)OC
365626461	ZINC000625046660	high	2.76	-7.61	0	315.36	2.386	2	4	8	CN(Cc1ccc(OC(F)F)cc1)C[C@H](O)CC1(O)CCC1
365626468	ZINC000625045941	ref	4.86	-11.08	0	320.418	2.124	1	5	4	CC1(C)CCC[C@H]1NS(=O)(=O)c1cnnn1-c1ccccc1
365626475	ZINC000625045941	high	4.8	-38.95	-1	320.418	2.124	0	5	4	CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cnnn1-c1ccccc1
365626483	ZINC000625047944	ref	6.84	-7.55	0	320.408	2.399	0	3	6	CCO[C@H](CN1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1
365626492	ZINC000625047944	mid	9.25	-45.64	1	320.408	2.399	1	2	6	CCO[C@H](C[NH+]1CCN(C(=O)c2ccc(F)cc2)CC1)C1CC1
230741633	ZINC000450469558	ref	5.78	-8.41	0	310.438	1.955	1	3	5	CCC(CC)[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(C)C2=O)CCO1
342600052	ZINC000590845267	low	7.45	-38.32	1	285.351	1.825	1	3	3	O=C(NCc1ccccn1)N1CCC[C@@H](n2cc[nH+]c2)C1
365626505	ZINC000625045767	ref	7.05	-33.67	1	318.461	2.385	3	3	7	C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H](O)CC1(O)CCC1
214179009	ZINC000278477180	low	10.02	-79.32	2	314.364	2.577	2	2	4	O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCC[N@H+]1C1CC1
343994622	ZINC000079942088	ref	4.09	-13.3	0	262.288	2.049	2	3	3	Cc1nccn1-c1ccc([C@H](C)NC(N)=O)cc1F
365626403	ZINC000274329763	ref	2.65	-9.36	0	285.365	1.594	1	4	5	CCCNS(=O)(=O)c1ccc(C2(C)OCCO2)cc1
197599928	ZINC000162917699	ref	4.12	-15.6	0	317.842	2.274	1	5	3	CC(C)(C)c1nc(Cl)cc(NC[C@@H]2CCS(=O)(=O)C2)n1
398247447	ZINC000192235080	ref	3.28	-10.51	0	246.31	0.876	1	3	6	C#CCN(C)CC(=O)NCc1ccc(OC)cc1
214179013	ZINC000278478040	ref	4.52	-16.63	0	308.407	1.333	0	6	6	CCn1ncnc1CN(C)Cc1ccc(S(C)(=O)=O)cc1
214179017	ZINC000278476896	ref	6.96	-12.87	0	301.386	3.133	1	3	3	Cc1ccc2c(CC(=O)N[C@H]3CCOC[C@@H]3C)coc2c1C
342085104	ZINC000625352009	low	6.42	-38.03	1	293.411	1.013	2	2	4	CC[NH+]1CCN(C(=O)C(=O)NCC[C@H]2CC=CCC2)CC1
398247452	ZINC000192235080	low	5.56	-41.45	1	246.31	0.876	2	2	6	C#CC[N@@H+](C)CC(=O)NCc1ccc(OC)cc1
214179022	ZINC000278476569	ref	7.87	-6.81	0	305.443	3.401	1	3	3	CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCSc2ccccc21
214179025	ZINC000278478000	ref	4.83	-16.22	0	324.446	1.639	1	3	5	CCS(=O)(=O)NCC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C
214179029	ZINC000278477175	ref	1.75	-18.79	0	309.366	1.361	3	4	6	CC(C)(C)OC(=O)NCCNC(=O)CCc1ccc(=O)[nH]c1
214179035	ZINC000278477421	ref	4.35	-9.24	0	303.28	2.727	1	3	3	CC(=O)NC1(c2cccc(OC(F)(F)F)c2)CCOCC1
342085105	ZINC000625352137	ref	6.36	-4.01	0	278.396	1.941	1	2	2	C[C@H]1CCCN(C(=O)C(=O)NC[C@H]2CCCC23CC3)C1
197599933	ZINC000162926983	ref	7.33	-9.45	0	309.431	2.6	0	4	6	COc1cc(CCC(=O)N(C)[C@@H]2CCSC2)cc(OC)c1
197599940	ZINC000162928965	ref	8.85	-46.2	-1	309.395	2.057	0	8	7	CCCn1c(SCC(=O)[O-])nnc1-c1cc(C)nn1CC
214179048	ZINC000278478156	ref	8.4	-17.97	0	312.373	2.362	1	4	4	CCCN1C(=O)CCc2cc(NC(=O)c3cncn3C)ccc21
214179052	ZINC000278476481	ref	4.51	-14.84	0	314.172	2.26	2	2	2	NC(=O)N1CCc2ccc(NC(=O)[C@H]3CC3(Cl)Cl)cc21
342085106	ZINC000625351784	ref	5.53	-13.56	0	269.37	1.49	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2cn(CC)cn2)C1
342085107	ZINC000625352096	ref	4.9	-11.78	0	298.427	1.787	1	3	5	CC[C@H]1CCCCN1C(=O)C(=O)N(C)CC(O)(CC)CC
342085108	ZINC000625352359	ref	5.4	-5.42	0	250.342	1.161	1	2	2	C[C@@]1(CNC(=O)C(=O)N2CCCC2)C[C@@H]2C[C@@H]2C1
342085109	ZINC000625352962	ref	5.07	-12.03	0	288.391	1.808	2	2	4	CC(C)[C@H](NC(=O)C1CCc2ccccc2CC1)C(N)=O
365626406	ZINC000122209932	mid	8.0	-47.74	1	259.353	2.122	2	2	5	C#CC[N@H+](Cc1nc(CC)cc(=O)[nH]1)C1CCCC1
365626409	ZINC000122209932	high	4.53	-43.39	-1	259.353	2.122	0	3	5	C#CCN(Cc1nc(CC)cc(=O)[n-]1)C1CCCC1
230741634	ZINC000425570467	ref	4.21	-20.81	0	316.467	2.031	1	3	5	CC1(C)CN(C(=O)NCCCCS(C)(=O)=O)[C@H]2CCC[C@H]21
178295818	ZINC000082791010	ref	2.38	-50.62	1	292.198	1.96	1	2	4	C[C@@H](CC[NH3+])S(=O)(=O)c1cccc(Br)c1
365626417	ZINC000122275848	ref	6.97	-13.01	0	283.331	2.342	0	4	3	CCn1nccc1/C=C/C(=O)N1CCOc2ccccc21
342085110	ZINC000625352077	ref	5.22	-6.18	0	250.342	1.471	1	2	3	O=C(NCC[C@H]1CC=CCC1)C(=O)N1CCCC1
230741639	ZINC000425573177	ref	4.42	-21.49	0	310.419	2.098	1	3	5	C[C@H]1c2ccccc2CN1C(=O)NCCCCS(C)(=O)=O
290623310	ZINC000419915710	ref	4.49	-44.6	1	293.411	0.893	2	2	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)C2)C1
365626426	ZINC000122176774	ref	6.33	-17.77	0	270.336	2.091	1	4	3	CC(C)(C)[C@H](C#N)NC(=O)Cn1ncc2ccccc21
343995039	ZINC000625565436	ref	9.06	-32.6	1	225.376	2.779	1	1	7	CCO[C@H](C[N@H+](C)C[C@@H]1CC1(C)C)C1CC1
365626438	ZINC000122283520	ref	7.14	-9.63	0	287.407	2.449	0	3	5	O=C(CN(Cc1ccncc1)C1CC1)N1CCCCCC1
342085111	ZINC000625352623	ref	2.22	-8.05	0	252.314	1.399	2	3	6	CC(C)[C@@H](NC(=O)C[C@@H](C)c1ccco1)C(N)=O
136228714	ZINC000285181692	ref	5.27	-6.07	0	229.283	2.949	0	4	4	C=C(C)CCc1noc(-c2ccc(C)nc2)n1
365626444	ZINC000122283520	low	9.27	-39.85	1	287.407	2.449	1	2	5	O=C(C[N@H+](Cc1ccncc1)C1CC1)N1CCCCCC1
365626450	ZINC000122283520	low	9.25	-40.52	1	287.407	2.449	1	2	5	O=C(C[N@@H+](Cc1ccncc1)C1CC1)N1CCCCCC1
365626454	ZINC000122317342	ref	5.96	-20.25	0	295.302	2.216	2	5	6	N#CCCCOc1cccnc1NC(=O)c1ccc(C#N)[nH]1
365626469	ZINC000122298305	ref	7.01	-19.18	0	269.304	2.16	0	4	6	N#CCCN(Cc1cccnc1)C(=O)Cc1ccoc1
342085112	ZINC000625352395	ref	5.48	-5.27	0	284.4	1.71	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1CCCCCC1)OCC
168365521	ZINC000043334302	low	4.48	-107.17	2	194.278	1.764	2	1	3	C[C@@H]([NH3+])[C@@H](c1ccco1)[NH+]1CCCC1
342085113	ZINC000625352248	ref	3.14	-8.33	0	276.327	1.828	2	2	5	CC(C)[C@@H](NC(=O)CC1CCC(F)(F)CC1)C(N)=O
230741655	ZINC000425569062	ref	4.75	-20.3	0	318.483	2.469	2	3	10	CCCC[C@H](NC(=O)NCCCCS(C)(=O)=O)C1CCC1
342085114	ZINC000625351747	ref	3.43	-10.2	0	296.392	1.227	1	3	4	Cc1cccc2c1C[C@@H](NS(=O)(=O)N(C)C1CC1)CO2
342085115	ZINC000625352197	ref	6.25	-3.98	0	278.396	1.797	1	2	2	C[C@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1
214179015	ZINC000053370496	ref	2.02	-25.23	0	336.417	1.403	2	5	4	Cc1cc(C)n(CC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)n1
365626407	ZINC000354691056	ref	7.1	-7.71	0	292.379	1.87	0	4	4	CO[C@]1(C)C[C@H](N(C)C(=O)C(=O)c2cccn2C)C1(C)C
365639574	ZINC000175990832	mid	7.26	-9.62	0	206.249	1.098	2	3	3	Cc1nnc(NC(=O)[C@@H]2C[C@H]2C2CC2)[nH]1
214179020	ZINC000053370680	ref	6.12	-52.75	1	333.432	1.545	3	3	8	C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccccc1OCC(N)=O
342085116	ZINC000625352201	ref	6.34	-4.04	0	278.396	1.797	1	2	2	C[C@@H]1CCCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1
342085117	ZINC000625353002	ref	5.06	-4.41	0	250.342	1.327	1	2	2	C[C@H]1CCCN(C(=O)C(=O)NCC2CC=CC2)C1
214179024	ZINC000053370680	mid	6.43	-52.16	1	333.432	1.545	3	3	8	C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccccc1OCC(N)=O
398247453	ZINC000356344619	high	4.41	-36.9	1	248.37	2.536	2	2	6	CCC[C@H](C[NH2+][C@@H]1C[C@@H](N)c2ccccc21)OC
230741637	ZINC000450468459	ref	7.92	-15.84	0	317.393	1.489	0	7	6	COCCO[C@@H]1CCN(c2ccc3nnc([C@H]4C[C@H]4C)n3n2)C1
178295827	ZINC000357724000	ref	6.86	-12.39	0	244.338	3.851	2	1	4	Cc1cc2cc(NC(=O)CCC(C)C)ccc2[nH]1
398247456	ZINC000356345789	ref	1.2	-9.52	0	228.292	0.5	2	3	5	CO[C@@H](CNC(=O)N[C@H]1CCOC1)C1CC1
178295831	ZINC000303096471	ref	1.11	-13.69	0	247.298	1.979	4	2	3	Cc1cc2cc(NC(=O)N[C@H](C)CO)ccc2[nH]1
178295836	ZINC000049000169	ref	8.26	-11.76	0	228.247	3.464	0	3	0	Cc1cc2cc3c(C)coc3c(C)c2oc1=O
178295839	ZINC000046694878	ref	-0.29	-14.4	0	246.27	1.083	4	2	3	Cc1cc2cc(NC(=O)CNC(N)=O)ccc2[nH]1
178295844	ZINC000048946492	ref	3.64	-30.06	1	215.252	2.572	1	2	0	Cc1cc2cc(O)cc3c2c([nH+]1)C[C@H](C)O3
398247459	ZINC000356357870	ref	3.98	-10.59	0	215.293	0.953	1	3	7	CO[C@@H](CNC(=O)COC(C)C)C1CC1
398247463	ZINC000356350518	ref	4.32	-8.46	0	240.347	2.043	2	2	5	CO[C@@H](CNC(=O)NC1CCCCC1)C1CC1
178295848	ZINC000048946492	mid	4.74	-37.43	0	215.252	2.572	0	2	0	Cc1cc2cc([O-])cc3c2c([nH+]1)C[C@H](C)O3
178295850	ZINC000048946492	high	3.27	-7.51	0	215.252	2.572	1	3	0	Cc1cc2cc(O)cc3c2c(n1)C[C@H](C)O3
178295853	ZINC000352615999	ref	6.99	-12.61	0	242.322	3.461	2	1	3	Cc1cc2cc(NC(=O)C[C@H]3C[C@H]3C)ccc2[nH]1
342085118	ZINC000608946144	ref	6.4	-9.81	0	267.285	1.184	0	5	2	C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])cn2C)CCCO1
342085119	ZINC000625352210	ref	0.76	-11.51	0	286.328	1.064	2	3	3	Cc1c(F)cc(S(N)(=O)=O)cc1C(=O)NC1CCC1
342085120	ZINC000625351898	ref	4.37	-5.42	0	287.363	1.027	1	3	3	C/C=C/CNC(=O)C(=O)N1CCN(c2ccccc2)CC1
365626410	ZINC000274331973	ref	6.78	-16.23	0	263.272	1.687	1	4	2	Cn1c(NC(=O)[C@H]2CCOC2)nc2ccc(F)cc21
365626418	ZINC000274330425	ref	2.31	-21.89	0	275.312	1.565	3	4	6	Cc1cc(=O)[nH]cc1NC(=O)CCCCc1c[nH]nn1
365626423	ZINC000274330425	mid	2.24	-18.85	0	275.312	1.565	3	4	6	Cc1cc(=O)[nH]cc1NC(=O)CCCCc1cn[nH]n1
230741641	ZINC000450469602	ref	6.58	-8.76	0	300.305	1.773	1	4	5	COC(=O)[C@H](CC(F)F)NC(=O)[C@@]1(C#N)CC12CCCC2
365626432	ZINC000274330359	ref	1.37	-6.25	0	266.341	1.062	1	5	5	COc1ccc(CN2CCOC[C@@H]2C[C@@H](C)O)nc1
365626436	ZINC000274330359	low	2.14	-35.8	1	266.341	1.062	2	4	5	COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@@H](C)O)nc1
342085121	ZINC000625351884	ref	5.93	-12.26	0	272.348	1.817	1	2	3	O=C(NC1CCC1)[C@@H]1CCN(C(=O)c2ccccc2)C1
282121004	ZINC000449150829	ref	3.07	-47.05	1	293.411	2.416	1	4	5	COc1nccc(C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)n1
282121007	ZINC000449150829	high	1.7	-8.0	0	293.411	2.416	1	5	5	COc1nccc(CNC[C@@H]2CCCO[C@@H]2C(C)(C)C)n1
214179019	ZINC000293496155	ref	6.11	-42.93	1	363.414	0.728	1	6	4	COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@H](C)N(C)[C@H](C)C2)cc1
197599954	ZINC000290116408	ref	0.53	-49.22	1	291.351	0.634	3	4	6	CC(C)(O)c1ccc(C[NH2+]C[C@H]2CC(C(N)=O)=NO2)cc1
282121008	ZINC000449151252	ref	6.66	-45.78	1	284.469	2.411	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSC[C@H]2C)C1
197599955	ZINC000290116408	mid	-0.82	-8.3	0	291.351	0.634	3	5	6	CC(C)(O)c1ccc(CNC[C@H]2CC(C(N)=O)=NO2)cc1
342085122	ZINC000625352626	ref	2.19	-8.64	0	252.314	1.399	2	3	6	CC(C)[C@H](NC(=O)C[C@@H](C)c1ccco1)C(N)=O
342085123	ZINC000625352414	ref	5.05	-10.97	0	282.384	1.272	0	3	3	CC[C@@H]1CCCCN1C(=O)C(=O)N(C)CC1(C)COC1
342085124	ZINC000625352109	ref	6.4	-11.03	0	296.411	1.664	0	3	3	COCCC1CCN(C(=O)C(=O)N2CCCCCC2)CC1
342085125	ZINC000625352080	ref	5.41	-5.58	0	250.342	1.161	1	2	2	O=C(NC[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)N1CCCC1
342085126	ZINC000625352617	ref	3.13	-7.32	0	292.326	1.033	1	3	4	CCC(F)(F)C(C)(C)CNC(=O)C(=O)N1CCOCC1
342085127	ZINC000625351885	ref	5.97	-14.15	0	272.348	1.817	1	2	3	O=C(NC1CCC1)[C@H]1CCN(C(=O)c2ccccc2)C1
342088576	ZINC000046826046	ref	4.99	-9.97	0	268.744	1.475	1	2	4	C[C@@H](NC(=O)Cc1ccc(Cl)cc1)C(=O)N(C)C
342088577	ZINC000121428382	ref	6.12	-14.66	0	262.313	1.251	1	5	5	CCc1onc(C)c1C(=O)NCCc1cncn1C
342088578	ZINC000121428382	low	6.64	-41.54	1	262.313	1.251	1	4	5	CCc1onc(C)c1C(=O)NCCc1c[nH+]cn1C
214179023	ZINC000293496155	mid	6.5	-42.54	1	363.414	0.728	2	5	4	COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@H+](C)[C@H](C)C2)cc1
214179027	ZINC000293496155	mid	6.5	-42.54	1	363.414	0.728	2	5	4	COC(=O)COc1ccc(NC(=O)C(=O)N2C[C@H](C)[N@@H+](C)[C@H](C)C2)cc1
342085128	ZINC000616407942	ref	4.13	-12.61	0	297.305	1.909	1	4	4	Cc1nccnc1C(=O)NCC(=O)C1CCC(F)(F)CC1
342085129	ZINC000625351069	ref	2.9	-10.01	0	284.381	1.085	1	3	4	CCN(C)S(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342085130	ZINC000625350913	ref	3.35	-10.94	0	281.377	1.497	1	3	4	CC1(C)[C@@H](NS(=O)(=O)C2COC2)[C@@H]1c1ccccc1
342085131	ZINC000600312396	ref	6.92	-39.44	1	258.431	1.834	2	2	5	CSC[C@H](C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
214179041	ZINC000293503400	ref	2.41	-17.68	0	360.393	0.826	3	5	3	O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CC[C@](O)(c2cn[nH]n2)C1
342085132	ZINC000600312396	mid	7.11	-39.65	1	258.431	1.834	2	2	5	CSC[C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
214179047	ZINC000293503400	mid	2.41	-17.68	0	360.393	0.826	3	5	3	O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CC[C@](O)(c2c[nH]nn2)C1
178295829	ZINC000082790969	ref	3.17	-52.29	1	261.774	2.243	1	2	6	[NH3+]CCCCCS(=O)(=O)c1cccc(Cl)c1
214179050	ZINC000293498730	ref	3.33	-41.17	1	352.416	0.521	2	6	5	CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2nccn2c1
214179055	ZINC000293498730	mid	3.33	-41.17	1	352.416	0.521	2	5	5	CCS(=O)(=O)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2[nH+]ccn2c1
214179059	ZINC000293505839	ref	0.22	-27.49	0	360.37	0.463	3	7	7	C[C@@H](C(=O)Nc1cnn(CC(=O)NCCO)c1)c1ccc2c(c1)OCO2
214179063	ZINC000293501301	ref	1.91	-18.29	0	372.443	0.934	3	6	7	CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1
214179067	ZINC000293501301	high	1.91	-18.29	0	372.443	0.934	3	7	7	CS(=O)(=O)[C@@H]1CCC[C@H](N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1
214179070	ZINC000293490514	ref	2.35	-17.15	0	362.409	0.878	3	6	7	O=C(NCCCn1cc(CO)nn1)N[C@H]1CCN(c2ccccc2F)C1
214179076	ZINC000293489642	ref	4.44	-8.46	0	362.43	0.881	1	6	4	CCOC1CN(C(=O)C(=O)Nc2ccc(N3C[C@@H](C)O[C@H](C)C3)nc2)C1
342085133	ZINC000032989519	ref	3.54	-20.07	0	294.307	1.548	2	5	6	CCOC(=O)Nc1ccc(C(=O)NCCC(=O)OC)cc1
214179080	ZINC000293499304	ref	1.67	-11.64	0	365.34	0.851	2	6	3	O=C(Nc1cc(F)cc(F)c1)C(=O)N1CCC[C@@H](n2cc(CO)nn2)C1
349533679	ZINC000621226316	mid	4.56	-49.13	-1	276.258	2.496	1	3	4	CC(C)(CNC(=O)c1ncccc1[O-])CC(F)(F)F
282121005	ZINC000151608627	ref	8.72	-8.47	0	313.401	2.432	0	4	5	Cc1cnn(CCC(=O)N(C)[C@H](C)[C@@H]2Cc3ccccc3O2)c1
282121010	ZINC000151612282	ref	3.58	-10.34	0	321.421	2.486	2	4	10	CCOCCC1(CNC(=O)NCc2cccnc2OCC)CC1
365626414	ZINC000354689650	ref	5.45	-5.24	0	296.411	1.707	1	3	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)N[C@H]1CCO[C@H]1C
365626421	ZINC000354689174	ref	1.66	-10.36	0	294.326	1.571	3	3	5	COc1cc(F)cc(CNC(=O)N[C@@H]2C=C[C@@H](CO)C2)c1
365626427	ZINC000354691191	ref	2.91	-8.71	0	284.4	1.748	2	3	6	C[C@H](CO)CCCNC(=O)N1CCC[C@H]1[C@H]1CCCO1
365626437	ZINC000354690820	ref	5.62	-13.41	0	293.371	1.106	1	5	3	CO[C@H]1CCCN(C(=O)N[C@@H](C)c2nnc3n2CCC3)C1
282121014	ZINC000151611694	ref	6.55	-11.26	0	309.454	2.486	1	4	8	COC[C@H](NC(=O)Cc1c(C)nn(CC(C)C)c1C)C(C)C
365626443	ZINC000639790694	ref	6.48	-57.06	1	298.39	1.945	2	3	5	CC(=O)NCCC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
342085134	ZINC000600312586	ref	4.81	-16.33	0	295.27	1.413	1	6	6	COC(=O)Cc1occc1C(=O)Nc1cnn(CCF)c1
365626451	ZINC000639790694	mid	6.53	-55.71	1	298.39	1.945	2	3	5	CC(=O)NCCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1
342085135	ZINC000625350722	ref	3.87	-9.78	0	290.335	1.993	0	3	2	C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H](C)C1(F)F
342085136	ZINC000625356663	ref	5.78	-11.14	0	288.363	1.222	0	3	6	CCCN(CCC)C(=O)C(=O)N1CCO[C@H](CCF)C1
365626458	ZINC000639790694	high	3.92	-19.05	0	298.39	1.945	1	4	5	CC(=O)NCCCN1CC[C@@H](c2ccc3cccnc3n2)C1
342085137	ZINC000616407966	ref	4.31	-12.56	0	293.31	1.159	1	4	7	COC[C@@H](OC)C(=O)NCC(=O)C1CCC(F)(F)CC1
342085138	ZINC000625356891	ref	4.01	-9.77	0	278.356	1.548	1	5	4	CNc1cnc(C(=O)N2CCC(OC(C)C)CC2)cn1
342085139	ZINC000625356596	ref	7.53	-7.62	0	280.412	1.746	1	2	6	CCO[C@@H](C[N@@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1
230741672	ZINC000450469685	ref	6.12	-8.41	0	310.438	1.955	1	3	5	CCC(CC)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(C)C2=O)CCO1
365626465	ZINC000354689763	ref	4.0	-16.82	0	296.29	1.025	0	7	3	O=C(c1cc(-c2ccccn2)no1)N1CC(n2ccnn2)C1
365626474	ZINC000354689142	ref	4.09	-9.9	0	297.767	1.93	1	5	4	CN(C(=O)[C@@H](CO)c1ccc(Cl)cc1)c1nncs1
365626481	ZINC000354689466	ref	3.21	-19.91	0	283.397	1.088	1	4	4	Cc1cc(C)n([C@H](C)CC(=O)N[C@@H]2CC[S@@](=O)C2)n1
342085140	ZINC000625356596	mid	9.43	-38.86	1	280.412	1.746	1	2	6	CCO[C@@H](C[N@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1
365639578	ZINC000175990832	low	6.77	-8.6	0	206.249	1.098	2	3	3	Cc1n[nH]c(NC(=O)[C@@H]2C[C@H]2C2CC2)n1
214179037	ZINC000337610481	high	2.29	-47.24	-1	291.286	0.4	0	4	1	C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(F)cc2nn[n-]c12
342600053	ZINC000590845241	ref	8.19	-46.87	1	293.415	1.571	2	3	6	CC[NH+](CC)CCNC(=O)N1CCC[C@H](n2ccnc2)C1
342600054	ZINC000590845241	low	8.9	-80.38	2	293.415	1.571	2	2	6	CC[NH+](CC)CCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342600055	ZINC000616997905	ref	5.02	-43.8	1	291.395	1.946	3	2	3	Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600056	ZINC000616997905	mid	5.02	-44.24	1	291.395	1.946	3	2	3	Cc1[nH]c(=O)ccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365626434	ZINC000641592394	mid	4.99	-41.38	1	289.445	1.132	1	2	2	C[C@H]1CCCCN1S(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1
365626442	ZINC000641592648	ref	6.66	-44.37	1	296.436	1.851	0	3	3	Cc1ccc(CS(=O)(=O)N2CCN(C)C(C)(C)C2)cc1
214179040	ZINC000337610481	high	2.57	-47.12	-1	291.286	0.4	0	4	1	C[C@H]1C(=O)N(C)CCN1C(=O)c1cc(F)cc2n[n-]nc12
342600057	ZINC000590853207	ref	5.79	-39.83	1	297.443	1.663	3	2	5	CC(C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1
178305688	ZINC000292617228	ref	8.5	-13.3	0	243.31	2.583	0	4	5	Cc1cc2ncn(CCOCCC#N)c2cc1C
349533680	ZINC000618810715	mid	8.72	-49.27	1	287.425	1.782	1	4	3	CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@@H]2CCSC2)CCO1
365626446	ZINC000641592648	low	6.52	-46.14	1	296.436	1.851	1	2	3	Cc1ccc(CS(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1
214179044	ZINC000337606088	ref	4.67	-8.75	0	285.428	2.495	2	3	8	CCCC[C@H](C)C(=O)NC[C@]1(O)C[C@@H](OCC)C1(C)C
214179046	ZINC000337609883	ref	1.47	-16.67	0	282.285	0.014	2	8	5	CCOC(=O)Cc1nnc(NC(=O)c2cn[nH]n2)s1
214179051	ZINC000337609883	high	1.35	-43.67	-1	282.285	0.014	1	8	5	CCOC(=O)Cc1nnc(NC(=O)c2cnn[n-]2)s1
214179054	ZINC000337609883	high	1.29	-43.59	-1	282.285	0.014	1	8	5	CCOC(=O)Cc1nnc(NC(=O)c2c[n-]nn2)s1
214179057	ZINC000337609883	high	0.32	-47.41	-1	282.285	0.014	1	8	5	CCOC(=O)Cc1nnc([N-]C(=O)c2cn[nH]n2)s1
214179061	ZINC000337607626	ref	1.08	-20.6	0	294.307	0.098	2	5	6	CN(CCOCCO)C(=O)c1cccc2c1OCC(=O)N2
214179066	ZINC000337606662	ref	6.14	-46.28	1	257.334	0.287	2	3	4	COC(=O)CCCNC(=O)N1CCC[N@H+](C)CC1
214179071	ZINC000337606662	mid	6.1	-46.83	1	257.334	0.287	2	3	4	COC(=O)CCCNC(=O)N1CCC[N@@H+](C)CC1
214179073	ZINC000337606662	high	4.13	-10.84	0	257.334	0.287	1	4	4	COC(=O)CCCNC(=O)N1CCCN(C)CC1
342600058	ZINC000590853207	mid	3.79	-8.97	0	297.443	1.663	2	3	5	CC(C)CCCNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1
342085141	ZINC000625356596	high	7.53	-7.62	0	280.412	1.746	0	3	6	CCO[C@@H](CN1CCCN(C(=O)C2CC2)CC1)C1CC1
342085142	ZINC000625350906	ref	2.92	-12.26	0	293.344	1.87	1	4	3	Cc1cccc2c1C[C@@H](NS(=O)(=O)c1ccco1)CO2
365626439	ZINC000274330359	low	2.7	-34.83	1	266.341	1.062	2	4	5	COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@@H](C)O)nc1
365626445	ZINC000274328354	ref	7.66	-7.49	0	250.298	1.817	0	5	4	CCn1cc(C(=O)C(=O)O[C@@H]2CC[C@H](C)C2)cn1
342085143	ZINC000625350906	high	2.72	-45.91	-1	293.344	1.87	0	4	3	Cc1cccc2c1C[C@@H]([N-]S(=O)(=O)c1ccco1)CO2
342085144	ZINC000625350731	ref	3.69	-14.67	0	294.323	1.728	0	4	3	C[C@H]1CN(S(=O)(=O)Cc2ccon2)C[C@H](C)C1(F)F
342085145	ZINC000600312542	ref	6.12	-15.45	0	281.247	1.352	1	6	5	Cn1c(C(=O)Nc2cnn(CCF)c2)ccc1[N+](=O)[O-]
342085146	ZINC000625350794	ref	4.16	-8.82	0	255.33	1.949	0	2	3	CCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
342085147	ZINC000623714716	ref	3.01	-16.37	0	291.351	1.247	2	3	5	CNC(=O)CCCNC(=O)N1Cc2cccc(OC)c2C1
342085148	ZINC000625350452	ref	2.41	-13.75	0	299.392	1.254	1	4	6	COCCCS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342085149	ZINC000625356998	ref	7.68	-43.68	1	295.427	1.093	1	3	4	CC(C)(C)CNC(=O)CN1CCCN(C(=O)C2CC2)CC1
365626453	ZINC000274330356	ref	-0.45	-6.91	0	266.341	1.062	1	5	5	COc1ccc(CN2CCOC[C@H]2C[C@@H](C)O)nc1
230741666	ZINC000425573765	ref	7.42	-14.39	0	317.433	2.343	2	2	10	C=CCCN(C)C(=O)NCCNC(=O)CCCc1ccccc1
342085150	ZINC000625356998	low	7.67	-45.7	1	295.427	1.093	2	2	4	CC(C)(C)CNC(=O)C[N@@H+]1CCCN(C(=O)C2CC2)CC1
365626455	ZINC000274330356	low	1.88	-33.7	1	266.341	1.062	2	4	5	COc1ccc(C[N@@H+]2CCOC[C@H]2C[C@@H](C)O)nc1
282121006	ZINC000248960889	ref	1.96	-17.6	0	302.396	1.492	1	5	5	Cc1noc(C)c1[C@H](C)CNS(=O)(=O)[C@@H]1CCO[C@H]1C
282121009	ZINC000248960888	ref	2.49	-16.72	0	302.396	1.492	1	5	5	Cc1noc(C)c1[C@H](C)CNS(=O)(=O)[C@H]1CCO[C@H]1C
342085151	ZINC000625356998	low	7.68	-43.68	1	295.427	1.093	2	2	4	CC(C)(C)CNC(=O)C[N@H+]1CCCN(C(=O)C2CC2)CC1
178295858	ZINC000082791311	ref	1.56	-64.66	1	259.293	1.624	1	2	4	[NH3+]CC[C@@H](C(F)(F)F)S(=O)(=O)C1CCCC1
342085152	ZINC000608943772	ref	6.84	-11.08	0	251.282	1.437	0	4	5	CCN(Cc1ccoc1)C(=O)[C@H]1C[C@@H]1C(=O)OC
342085153	ZINC000625350796	ref	4.14	-10.02	0	255.33	1.949	0	2	3	CCCS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
342085154	ZINC000138827185	ref	5.77	-20.95	0	259.269	1.107	3	4	1	CC(C)(C)C(=O)Nc1nc2[nH]cc(C#N)c2c(=O)[nH]1
342085155	ZINC000032989848	ref	3.67	-11.6	0	288.303	1.943	1	5	5	COC(=O)CCNC(=O)c1nc(-c2ccccc2)oc1C
365626452	ZINC000641592648	low	6.66	-44.37	1	296.436	1.851	1	2	3	Cc1ccc(CS(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)cc1
365626456	ZINC000641593112	ref	2.84	-18.63	0	293.348	1.293	1	5	6	O=S(=O)(Cc1ccon1)NC[C@@H]1C[C@H]1c1cccnc1
342085156	ZINC000625350775	ref	3.38	-9.48	0	285.356	1.576	0	3	5	CCOCCS(=O)(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1
365626463	ZINC000641592534	ref	4.06	-5.99	0	262.357	1.084	0	5	2	Cc1cncnc1N1C[C@@H](N2CCOCC2)C[C@H]1C
185091277	ZINC000096081900	ref	9.73	-38.68	1	285.435	3.028	1	2	4	C[N@H+](C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21)C1CC1
365626472	ZINC000641592534	mid	6.29	-42.57	1	262.357	1.084	1	4	2	Cc1cncnc1N1C[C@@H]([NH+]2CCOCC2)C[C@H]1C
365626482	ZINC000641592977	ref	2.71	-8.39	0	260.403	1.142	0	3	3	CN1CCN(S(=O)(=O)CC2CCC2)CC1(C)C
365626487	ZINC000641592977	low	5.04	-42.09	1	260.403	1.142	1	2	3	C[N@@H+]1CCN(S(=O)(=O)CC2CCC2)CC1(C)C
365626493	ZINC000641592977	low	4.91	-44.32	1	260.403	1.142	1	2	3	C[N@H+]1CCN(S(=O)(=O)CC2CCC2)CC1(C)C
398247454	ZINC000651455354	ref	9.51	-6.8	0	284.403	3.476	1	1	1	C[C@H]1Cc2ccccc2CN1C(=O)NC1CC2(CCC2)C1
300266312	ZINC000364046177	mid	3.62	-68.12	0	285.344	-1.066	1	5	2	C[C@H]1CN(C[C@@H]2C[N@H+](C)CCO2)CCN1C(=O)C(=O)[O-]
230741685	ZINC000425572691	ref	3.35	-20.44	0	316.467	2.079	2	3	6	CS(=O)(=O)CCCCNC(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1
197599969	ZINC000290116928	ref	11.12	-12.27	0	288.37	2.924	0	4	3	C[C@@H]1CCCCN1c1nnc(Cc2ccc(F)cc2)n1C
214179039	ZINC000053367551	ref	4.43	-15.43	0	347.459	1.345	2	4	10	CCCNC(=O)CN(CCC)CC(=O)NC[C@@H]1Cc2ccccc2O1
342085157	ZINC000608944532	ref	4.43	-25.55	0	284.385	1.051	1	5	6	CC(C)SCC(=O)Nc1cnn(CC(=O)N(C)C)c1
342085158	ZINC000625350848	ref	4.4	-15.03	0	269.37	1.315	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)C1
342085159	ZINC000625356703	ref	6.14	-4.63	0	252.358	1.717	1	2	6	CCCN(CCC)C(=O)C(=O)NCC1CC=CC1
342085160	ZINC000625350523	ref	9.48	-15.95	0	274.368	1.804	0	4	3	CCn1cnnc1[C@H]1CCCN(C(=O)C23CC(C2)C3)C1
342085161	ZINC000625356886	ref	4.13	-13.74	0	282.384	1.317	1	3	4	CC(C)OC1CCN(C(=O)[C@H](C)[C@H]2CCC(=O)N2)CC1
342085162	ZINC000625350524	ref	9.48	-15.59	0	274.368	1.804	0	4	3	CCn1cnnc1[C@@H]1CCCN(C(=O)C23CC(C2)C3)C1
342085163	ZINC000625350847	ref	4.41	-14.62	0	269.37	1.315	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cn(C)c(C)n2)C1
342085164	ZINC000032979483	ref	6.42	-10.97	0	291.303	1.164	1	5	5	COC(=O)c1ccc(/C=C/C(=O)N[C@@H](C)C(=O)OC)cc1
365626460	ZINC000274330356	low	2.14	-33.8	1	266.341	1.062	2	4	5	COc1ccc(C[N@H+]2CCOC[C@H]2C[C@@H](C)O)nc1
365626466	ZINC000353180723	ref	4.65	-48.15	1	279.388	1.309	2	4	6	CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1nnc2n1CCCC2
365626471	ZINC000353180723	high	4.36	-9.5	0	279.388	1.309	2	5	6	CCCC[C@H](N)C(=O)N[C@@H](C)c1nnc2n1CCCC2
365626478	ZINC000274328310	ref	0.98	-12.25	0	294.399	1.706	4	3	7	Cc1n[nH]cc1CNC(=O)NCC1([C@H](C)CCO)CCC1
365626484	ZINC000274328310	mid	0.94	-11.91	0	294.399	1.706	4	3	7	Cc1[nH]ncc1CNC(=O)NCC1([C@H](C)CCO)CCC1
365626490	ZINC000274331945	ref	4.8	-11.32	0	275.308	1.407	0	4	3	COc1ccc(CN2C(=O)[C@@H]3CCCCN3C2=O)nc1
365626496	ZINC000274331192	ref	3.44	-9.51	0	298.364	1.42	1	6	6	COC(=O)C1(C(=O)NCc2csc([C@@H](C)OC)n2)CC1
365626502	ZINC000274331894	ref	4.42	-10.58	0	292.335	1.943	2	5	5	CCOC(=O)[C@@H](C)Nc1cc2c(cc1OC)CCC(=O)N2
365626510	ZINC000637720899	ref	5.84	-11.86	0	296.411	1.709	1	3	4	CC[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@@H]1CNC(C)=O
365626515	ZINC000274330363	ref	3.44	-14.34	0	276.336	1.334	2	3	3	CNC(=O)C1CN(C(=O)c2ccc(C(C)C)cc2O)C1
365626522	ZINC000274330363	high	4.43	-59.99	-1	276.336	1.334	1	3	3	CNC(=O)C1CN(C(=O)c2ccc(C(C)C)cc2[O-])C1
365626528	ZINC000274331329	ref	6.38	-53.32	1	278.331	1.993	3	2	3	C[C@H](NC(=O)Nc1cccc(F)n1)C1=CC[N@H+](C)CC1
365626535	ZINC000274331329	mid	6.31	-53.62	1	278.331	1.993	3	2	3	C[C@H](NC(=O)Nc1cccc(F)n1)C1=CC[N@@H+](C)CC1
342600059	ZINC000617000289	ref	6.79	-43.92	1	292.427	1.682	2	3	5	CCn1cc(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1
342600060	ZINC000617000289	mid	6.72	-43.52	1	292.427	1.682	2	3	5	CCn1cc(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cn1
282121011	ZINC000449150815	ref	4.56	-9.91	0	279.409	2.458	2	4	4	CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N)cn1
365626539	ZINC000274331329	high	3.95	-16.93	0	278.331	1.993	2	3	3	C[C@H](NC(=O)Nc1cccc(F)n1)C1=CCN(C)CC1
342600061	ZINC000590845076	ref	6.36	-13.18	0	280.372	1.656	1	4	6	CCOCCCNC(=O)N1CCC[C@@H](n2ccnc2)C1
365626545	ZINC000274327852	ref	2.64	-11.74	0	291.225	1.616	2	4	4	COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cccc(O)c1
365626552	ZINC000274327852	high	3.4	-53.97	-1	291.225	1.616	1	4	4	COC(=O)[C@H](CC(F)(F)F)NC(=O)c1cccc([O-])c1
365626566	ZINC000274329703	ref	7.8	-8.99	0	273.332	1.613	1	3	3	COC(=O)C1(C(=O)N[C@@H]2CCc3ccccc3C2)CC1
365626573	ZINC000274329330	ref	5.06	-12.37	0	255.368	1.654	1	5	3	O=C(C[C@H]1CSCCS1)Nc1cncnc1
185091278	ZINC000096081900	mid	9.79	-38.76	1	285.435	3.028	1	2	4	C[N@@H+](C[C@@H]1CCC[C@@H]2CN(c3cccnc3)C[C@@H]21)C1CC1
398247455	ZINC000192235080	low	5.56	-41.44	1	246.31	0.876	2	2	6	C#CC[N@H+](C)CC(=O)NCc1ccc(OC)cc1
178295859	ZINC000032818536	ref	6.7	-12.22	0	242.322	3.605	2	1	2	Cc1cc2cc(NC(=O)C3CCCC3)ccc2[nH]1
214179043	ZINC000053367551	low	6.36	-41.68	1	347.459	1.345	3	3	10	CCCNC(=O)C[N@H+](CCC)CC(=O)NC[C@@H]1Cc2ccccc2O1
349533682	ZINC000618810715	mid	8.57	-42.81	1	287.425	1.782	1	4	3	CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCSC2)CCO1
185091280	ZINC000096081177	ref	2.73	-14.77	0	252.299	-0.017	0	5	1	CN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1csnn1
349533686	ZINC000618811079	ref	6.44	-11.68	0	291.38	1.429	2	5	6	CSCCNC(=O)NCc1ncnn1-c1ccccc1
178295861	ZINC000352615998	ref	7.02	-12.74	0	242.322	3.461	2	1	3	Cc1cc2cc(NC(=O)C[C@@H]3C[C@H]3C)ccc2[nH]1
398247458	ZINC000192222422	ref	1.98	-18.84	0	223.276	-0.048	2	3	5	C#CCN(C)[C@H](C)C(=O)NC(=O)NCC=C
178295870	ZINC000339213591	ref	7.61	-13.64	0	248.289	3.487	2	3	2	Cc1cc2cc(Nc3cccc(C#N)n3)ccc2[nH]1
398247461	ZINC000192222422	mid	4.37	-47.1	1	223.276	-0.048	3	2	5	C#CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC=C
214179045	ZINC000053367551	low	6.35	-41.76	1	347.459	1.345	3	3	10	CCCNC(=O)C[N@@H+](CCC)CC(=O)NC[C@@H]1Cc2ccccc2O1
178295877	ZINC000268720000	ref	4.23	-37.71	1	233.311	2.693	2	2	4	Cc1cc2cc([C@H](C)[NH2+]CCO)oc2cc1C
178295879	ZINC000268720000	high	2.94	-7.82	0	233.311	2.693	2	3	4	Cc1cc2cc([C@H](C)NCCO)oc2cc1C
178295891	ZINC000268710195	ref	4.92	-41.33	1	247.338	3.083	2	2	5	Cc1cc2cc([C@H](C)[NH2+]CCCO)oc2cc1C
178295898	ZINC000268710195	high	3.68	-7.63	0	247.338	3.083	2	3	5	Cc1cc2cc([C@H](C)NCCCO)oc2cc1C
214179049	ZINC000053356081	ref	10.29	-20.6	0	344.419	0.755	0	6	3	CC(=O)N1CCCN(C(=O)CCc2c(C)nc3ncnn3c2C)CC1
342085165	ZINC000625351113	ref	1.91	-10.46	0	284.381	1.133	2	3	5	CCCNS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
178295900	ZINC000013824587	ref	3.12	-18.23	0	213.24	2.021	2	2	0	Cc1cc2cc3[nH]c(=O)nc-3[nH]c2cc1C
178295906	ZINC000013824587	mid	1.95	-58.75	-1	213.24	2.021	1	2	0	Cc1cc2cc3[n-]c(=O)nc-3[nH]c2cc1C
342085166	ZINC000046730268	ref	5.75	-12.26	0	279.365	1.922	1	5	5	CC(C)CCCNC(=O)c1cnc2sccn2c1=O
342085167	ZINC000625350861	ref	3.43	-10.63	0	259.371	1.251	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C1
342085168	ZINC000600312394	ref	6.93	-39.52	1	258.431	1.834	2	2	5	CSC[C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
197599968	ZINC000162916335	ref	6.13	-45.68	1	319.449	2.919	3	2	7	CCCC[C@@H](C[NH3+])NC(=O)c1ccccc1NC(=O)C(C)(C)C
342600062	ZINC000590845076	low	7.07	-37.06	1	280.372	1.656	1	3	6	CCOCCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
365626467	ZINC000172848979	ref	4.63	-18.82	0	263.341	1.597	1	3	6	CC(C)CC(=O)NCCC(=O)N(C)c1cccnc1
365626473	ZINC000172851591	ref	2.58	-19.35	0	295.282	1.267	1	3	4	C[C@H](CS(C)(=O)=O)NC(=O)c1c(F)cc(F)cc1F
230741686	ZINC000414361638	ref	8.23	-10.2	0	303.406	3.141	1	3	6	CC[C@H](C)[C@@H]1NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O
365626477	ZINC000172846716	ref	7.03	-11.13	0	292.314	1.391	1	5	7	C[C@H](CNC(=O)CCn1cncn1)Oc1cccc(F)c1
214179053	ZINC000053361221	ref	6.97	-10.82	0	330.38	2.896	2	5	4	O=C(COC(=O)C1C2CC3CC(C2)CC1C3)c1ccc(O)cc1O
214179058	ZINC000053361221	mid	7.74	-43.72	-1	330.38	2.896	1	5	4	O=C(COC(=O)C1C2CC3CC(C2)CC1C3)c1ccc([O-])cc1O
398247457	ZINC000651455784	ref	8.78	-42.99	1	289.394	3.45	1	1	4	Fc1ccc(CC2([NH2+][C@H]3CCC34CCOCC4)CC2)cc1
398247460	ZINC000651455682	ref	8.05	-9.25	0	288.366	3.447	2	1	3	O=C(NC1CC2(CCC2)C1)NC1(c2cccc(F)c2)CC1
365626486	ZINC000643088251	ref	3.65	-54.61	1	274.43	1.708	1	2	4	C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CCCCC1
342600063	ZINC000616997752	ref	5.58	-37.71	1	270.417	1.896	2	2	5	COCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600064	ZINC000616997752	mid	5.58	-38.25	1	270.417	1.896	2	2	5	COCC(C)(C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600065	ZINC000445972887	ref	4.62	-8.83	0	270.373	1.786	1	3	5	C=C(C)COCCNC(=O)N1C[C@H](C)O[C@H](C)[C@@H]1C
214179064	ZINC000053356497	ref	4.52	-19.65	0	342.399	1.75	0	5	4	CC(=O)N1CCCN(C(=O)CCc2nnc(-c3ccccc3)o2)CC1
214179068	ZINC000053357953	ref	7.23	-18.7	0	340.427	2.485	1	3	2	CC(=O)N1CCC[C@@H](C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C1
214179072	ZINC000053357459	ref	7.35	-16.9	0	338.411	2.237	1	3	3	O=C1C[C@@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)CN1C1CC1
342600066	ZINC000590853205	ref	5.38	-42.99	1	297.443	1.663	3	2	5	CC(C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
365626491	ZINC000172847148	ref	6.12	-20.0	0	290.367	1.222	1	4	3	Cn1ccc(N2CCC[C@@H](NC(=O)C3CCCC3)C2=O)n1
197599984	ZINC000162929571	ref	3.01	-9.41	0	305.346	2.199	1	3	3	C[C@H]1CC(NS(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1
342600067	ZINC000590853205	mid	2.89	-9.52	0	297.443	1.663	2	3	5	CC(C)CCCNC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
342600068	ZINC000590845229	ref	5.37	-13.25	0	266.345	1.266	1	4	5	COCCCNC(=O)N1CCC[C@H](n2ccnc2)C1
282121012	ZINC000248962935	ref	2.78	-14.9	0	322.405	1.352	2	5	6	CCc1c(C(=O)CN2C[C@H](C)O[C@@H](CO)C2)[nH]c(C)c1C(C)=O
342600069	ZINC000590845229	low	6.07	-36.89	1	266.345	1.266	1	3	5	COCCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
365626479	ZINC000122223835	ref	4.72	-12.25	0	286.422	2.37	0	4	4	CC[C@H](C)CS(=O)(=O)N1CCSc2ncccc21
365626489	ZINC000122317205	ref	6.07	-14.65	0	282.384	2.015	1	4	5	C[C@H](OC[C@@H]1CCCCO1)C(=O)N[C@@H](C#N)C(C)(C)C
365626498	ZINC000122316184	ref	5.47	-7.41	0	250.317	2.023	1	2	3	CCNC(=O)CN1CCCc2cc(F)cc(C)c21
365626508	ZINC000122321701	ref	5.24	-14.32	0	276.727	2.27	1	4	1	CN1C(=O)c2ccccc2N[C@H]1c1c(Cl)cnn1C
342600070	ZINC000616997777	ref	5.85	-45.51	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(C)nn1
342600071	ZINC000616997777	mid	5.88	-46.05	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c(C)nn1
342600072	ZINC000590844902	ref	7.53	-17.39	0	299.378	1.867	1	4	4	O=C(NCCc1ccccn1)N1CCC[C@H](n2ccnc2)C1
342600073	ZINC000590844902	low	8.24	-40.29	1	299.378	1.867	1	3	4	O=C(NCCc1ccccn1)N1CCC[C@H](n2cc[nH+]c2)C1
342600074	ZINC000590845935	ref	5.4	-38.62	1	283.416	1.271	3	2	3	CC(C)[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
214179056	ZINC000278477594	ref	2.61	-20.12	0	323.386	1.354	0	3	2	C[C@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[S@](=O)C1
214179060	ZINC000278477566	ref	7.05	-51.11	1	324.446	1.996	1	3	7	CC(=O)c1ccc(S(=O)(=O)N(C)CCC[NH+]2CCCC2)cc1
214179062	ZINC000278477566	high	4.52	-11.45	0	324.446	1.996	0	4	7	CC(=O)c1ccc(S(=O)(=O)N(C)CCCN2CCCC2)cc1
214179065	ZINC000278477918	ref	5.77	-14.57	0	312.341	2.64	2	4	4	Cc1nc(NC(=O)[C@@H](C)O)sc1Cc1ccc(F)cc1F
136228715	ZINC000285186897	ref	5.22	-5.3	0	238.331	3.108	0	4	8	C=C(C)CCc1noc([C@H](C)CCCOC)n1
365626520	ZINC000122249398	ref	5.33	-39.07	1	263.385	2.065	1	3	5	COC(C)(C)C[NH2+]C1CCN(c2ccccn2)CC1
365626531	ZINC000122249398	low	5.46	-84.25	2	263.385	2.065	1	2	5	COC(C)(C)C[NH2+]C1CCN(c2cccc[nH+]2)CC1
365626541	ZINC000122299397	ref	5.94	-12.11	0	279.311	2.368	0	3	2	O=C(CC1CCOCC1)N1CCOc2ccc(F)cc21
214179069	ZINC000278476322	ref	7.79	-15.23	0	324.331	1.962	0	6	7	COC(=O)c1ccc(CN(C)Cc2ncnn2CC(F)F)cc1
365626554	ZINC000122209038	ref	6.71	-44.29	1	271.426	2.078	1	2	7	C#CC[N@@H+](CCCS(=O)(=O)C(C)C)C1CCCC1
342085169	ZINC000600312394	mid	7.11	-39.64	1	258.431	1.834	2	2	5	CSC[C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342085170	ZINC000625356619	ref	4.6	-4.7	0	284.4	1.397	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1CCCC[C@H]1C
365626488	ZINC000354690617	ref	5.87	-11.65	0	279.303	1.592	1	5	4	O=C(NCc1cnn(-c2ccccc2)c1)c1cncnc1
342085171	ZINC000616407967	ref	4.14	-12.57	0	293.31	1.159	1	4	7	COC[C@H](OC)C(=O)NCC(=O)C1CCC(F)(F)CC1
342085172	ZINC000625350841	ref	2.57	-8.6	0	298.184	1.507	0	3	2	C[C@H]1C(=O)N(C)CCN1Cc1ccncc1Br
342085173	ZINC000625356872	ref	1.84	-14.83	0	277.349	1.536	2	4	4	CC(C)[C@H](NC(=O)c1nccc2ccsc12)C(N)=O
342085174	ZINC000625351108	ref	4.51	-21.84	0	262.256	1.232	1	4	7	Cc1noc(C)c1CCNC(=O)COCC(F)F
342085175	ZINC000608943771	ref	6.98	-16.48	0	251.282	1.437	0	4	5	CCN(Cc1ccoc1)C(=O)[C@@H]1C[C@@H]1C(=O)OC
259308947	ZINC000517232247	ref	3.05	-6.66	0	244.294	2.779	1	3	2	COc1ccc2oc(=N[C@@H]3C=CCCC3)[nH]c2c1
349533683	ZINC000621226123	ref	4.53	-8.14	0	265.275	2.428	1	2	4	CC(C)(CNC(=O)C1=CCOCC1)CC(F)(F)F
342085176	ZINC000625351070	ref	3.03	-9.65	0	284.381	1.085	1	3	4	CCN(C)S(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
342085177	ZINC000625351038	ref	1.91	-10.72	0	284.381	1.133	2	3	5	CCCNS(=O)(=O)N[C@H]1COc2cccc(C)c2C1
342085178	ZINC000600312395	ref	7.11	-39.68	1	258.431	1.834	2	2	5	CSC[C@H](C)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342085179	ZINC000600312395	mid	7.01	-40.67	1	258.431	1.834	2	2	5	CSC[C@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
398247462	ZINC000651457185	ref	6.66	-38.45	1	259.393	3.062	2	1	5	C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCC1(CO)CC1
342085180	ZINC000625350776	ref	3.38	-9.46	0	285.356	1.576	0	3	5	CCOCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
342085181	ZINC000625356887	ref	4.51	-16.75	0	282.384	1.317	1	3	4	CC(C)OC1CCN(C(=O)[C@@H](C)[C@H]2CCC(=O)N2)CC1
168365783	ZINC000043335423	high	-0.22	-4.47	0	198.266	0.592	2	4	5	C[C@@H](N)[C@@H](c1ccco1)N(C)CCO
342085182	ZINC000625351003	ref	2.42	-8.83	0	254.355	1.232	2	2	4	CNS(=O)(=O)N[C@@H]1[C@@H](c2ccccc2)C1(C)C
342085183	ZINC000032990074	ref	4.49	-19.32	0	290.319	1.337	2	4	6	COC(=O)CCNC(=O)/C=C/c1ccc(NC(C)=O)cc1
342085184	ZINC000625356888	ref	4.11	-17.62	0	282.384	1.317	1	3	4	CC(C)OC1CCN(C(=O)[C@H](C)[C@@H]2CCC(=O)N2)CC1
342085185	ZINC000625356910	ref	4.66	-17.71	0	265.313	1.212	1	4	3	CC(C)OC1CCN(C(=O)c2cc(=O)[nH]cn2)CC1
342085186	ZINC000625356910	high	3.48	-43.01	-1	265.313	1.212	0	4	3	CC(C)OC1CCN(C(=O)c2cc(=O)[n-]cn2)CC1
398247464	ZINC000651456965	ref	8.1	-7.11	0	250.386	3.007	1	1	1	C[C@@H]1CCN(C(=O)NC2CC3(CCC3)C2)C[C@@H]1C
342600075	ZINC000590845935	mid	2.95	-8.94	0	283.416	1.271	2	3	3	CC(C)[C@H](C)NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
342600076	ZINC000616997851	ref	6.54	-41.4	1	268.401	1.792	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCCO2)C1
342600077	ZINC000616997851	mid	6.51	-40.63	1	268.401	1.792	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCO2)C1
342600078	ZINC000616997775	ref	5.87	-46.47	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c(C)nn1
178295866	ZINC000237072042	ref	7.27	-48.33	1	356.455	1.854	2	6	7	CCc1nnc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)s1
178295869	ZINC000237072042	mid	7.01	-16.33	0	356.455	1.854	2	7	7	CCc1nnc(NC(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)s1
349533685	ZINC000602429923	ref	4.03	-51.32	1	235.331	1.266	1	2	2	C[C@@H]([NH3+])C1CCN(C(=O)C2(C#N)CCC2)CC1
342600079	ZINC000616997775	mid	5.81	-46.05	1	290.411	1.944	2	3	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c(C)nn1
342600080	ZINC000445972888	ref	4.8	-8.63	0	270.373	1.786	1	3	5	C=C(C)COCCNC(=O)N1C[C@H](C)O[C@@H](C)[C@H]1C
342600081	ZINC000590845314	ref	8.11	-47.56	1	291.399	1.324	2	3	2	C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3ccnc3)C2)CC1
349533689	ZINC000602429735	ref	4.33	-38.85	1	243.328	1.349	2	4	6	CC[N@H+](CCO)Cc1cc(C(=O)OC)cs1
349533693	ZINC000602429735	mid	4.31	-38.59	1	243.328	1.349	2	4	6	CC[N@@H+](CCO)Cc1cc(C(=O)OC)cs1
365626495	ZINC000641592457	ref	5.49	-12.5	0	273.34	1.492	0	6	3	CN(c1ccc(-c2ccnn2C)nn1)[C@@H]1CCCOC1
365626499	ZINC000641592536	ref	4.17	-5.52	0	262.357	1.084	0	5	2	Cc1cncnc1N1C[C@@H](N2CCOCC2)C[C@@H]1C
342600082	ZINC000590845314	low	8.82	-79.92	2	291.399	1.324	2	2	2	C[NH+]1CCC(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)CC1
342600083	ZINC000590845314	high	5.72	-12.9	0	291.399	1.324	1	4	2	CN1CCC(NC(=O)N2CCC[C@@H](n3ccnc3)C2)CC1
214179074	ZINC000278477285	ref	5.42	-20.51	0	319.405	2.443	2	3	4	COc1cc(C)c(NC(=O)N[C@H]2CCN(C(C)C)C2=O)cc1C
214179078	ZINC000278477398	ref	4.59	-12.48	0	304.228	2.196	3	5	4	C[C@@](O)(CNc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(F)(F)F
342600084	ZINC000590844905	ref	7.57	-17.35	0	299.378	1.867	1	4	4	O=C(NCCc1ccccn1)N1CCC[C@@H](n2ccnc2)C1
342600085	ZINC000590844905	low	8.28	-40.04	1	299.378	1.867	1	3	4	O=C(NCCc1ccccn1)N1CCC[C@@H](n2cc[nH+]c2)C1
342600086	ZINC000616997854	ref	6.49	-41.28	1	268.401	1.792	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCO2)C1
214179082	ZINC000278477598	ref	3.35	-11.36	0	310.308	1.902	0	7	5	CN(C[C@H]1CCCN1c1cccnn1)c1nnc(C(F)F)o1
214179075	ZINC000053371706	ref	7.63	-23.15	0	334.441	2.951	1	4	8	CCCN(C(=O)CSCC(N)=O)[C@@H](C)c1cc2ccccc2o1
214179077	ZINC000053371709	ref	6.43	-19.43	0	334.441	2.951	1	4	8	CCCN(C(=O)CSCC(N)=O)[C@H](C)c1cc2ccccc2o1
365626497	ZINC000172848568	ref	6.49	-24.88	0	292.383	1.468	1	4	5	CC(C)CCC(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
365626504	ZINC000172852835	ref	4.76	-8.22	0	258.325	1.783	2	3	4	Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn[nH]n2)c1
365626507	ZINC000172852835	mid	4.81	-10.85	0	258.325	1.783	2	3	4	Cc1cc(C)cc(C[C@H](C)NC(=O)c2cnn[nH]2)c1
365626512	ZINC000172852835	high	4.56	-38.33	-1	258.325	1.783	1	3	4	Cc1cc(C)cc(C[C@H](C)NC(=O)c2c[n-]nn2)c1
365626517	ZINC000172852835	high	4.64	-38.5	-1	258.325	1.783	1	3	4	Cc1cc(C)cc(C[C@H](C)NC(=O)c2cnn[n-]2)c1
365626523	ZINC000172852835	high	4.74	-38.72	-1	258.325	1.783	1	3	4	Cc1cc(C)cc(C[C@H](C)NC(=O)c2cn[n-]n2)c1
178295872	ZINC000237072042	low	7.81	-122.91	2	356.455	1.854	2	5	7	CCc1nnc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)s1
230741725	ZINC000425569745	ref	4.51	-12.2	0	322.38	2.404	2	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](OC)c1ccc(F)cc1
230741728	ZINC000425570608	ref	8.29	-13.61	0	323.4	2.407	0	5	5	CCc1c(C(=O)N(C)C2(C#N)CCC2)nnn1Cc1ccccc1
365626527	ZINC000172844256	ref	5.71	-12.83	0	294.376	1.568	1	4	5	COc1ccc(O[C@H](C)CN2C(=O)[C@@H](C)NC2=S)cc1
230741735	ZINC000425574437	ref	4.88	-13.65	0	322.409	2.355	1	5	7	CO[C@H](C)c1noc(CN(C)C(=O)NC[C@@H]2C[C@H]2C2CCC2)n1
398247465	ZINC000192222422	mid	4.37	-47.86	1	223.276	-0.048	3	2	5	C#CC[N@H+](C)[C@H](C)C(=O)NC(=O)NCC=C
365626532	ZINC000172844157	ref	6.47	-10.92	0	282.34	1.698	1	3	4	C[C@@H](CN1C(=O)[C@@H](C)NC1=S)Oc1ccc(F)cc1
365626536	ZINC000172852103	ref	6.7	-55.7	1	289.379	1.526	3	2	6	NC(=O)NC(=O)CCC[N@@H+]1CC[C@H](Cc2ccccc2)C1
230741745	ZINC000425572712	ref	5.12	-8.92	0	323.418	2.479	2	5	4	COC(=O)c1cnc([C@@H](C)NC(=O)N[C@@H]2CCC[C@@H]3C[C@@H]32)s1
365626543	ZINC000172852103	mid	6.74	-55.45	1	289.379	1.526	3	2	6	NC(=O)NC(=O)CCC[N@H+]1CC[C@H](Cc2ccccc2)C1
365626548	ZINC000643088241	ref	3.1	-54.54	1	260.403	1.318	1	2	4	C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CCCC1
365626553	ZINC000643088275	ref	2.8	-58.68	1	290.335	1.216	1	2	3	C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(F)cc1F
259308950	ZINC000306278826	ref	5.41	-4.68	0	210.668	1.17	1	4	2	C#C[C@H](C)N(C)c1ncnc(N)c1Cl
398247467	ZINC000192221805	ref	2.22	-19.83	0	249.27	0.17	2	4	5	C#CCN(C)CC(=O)NC(=O)NCc1ccco1
214179079	ZINC000337606545	ref	6.57	-8.21	0	274.368	2.31	1	5	7	CCO[C@@H](CCNc1ncnc2ccncc12)C(C)C
185091283	ZINC000096081679	ref	2.69	-13.17	0	278.356	0.354	0	5	2	CC(C)N1CCO[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21
282121013	ZINC000449150725	ref	6.73	-9.95	0	292.427	2.165	2	3	5	CCn1[nH]c(=NC(=O)[C@H](CC(C)(C)C)NC)cc1C1CC1
199273249	ZINC000181263376	ref	5.11	-10.09	0	306.362	2.24	2	4	2	CC(C)(C)OC(=O)c1ccccc1NC(=O)N1CC[C@H](O)C1
282121015	ZINC000449150725	low	7.01	-31.1	1	292.427	2.165	2	2	5	CCn1[nH]c(=NC(=O)[C@H](CC(C)(C)C)[NH2+]C)cc1C1CC1
282121016	ZINC000449150647	ref	8.04	-41.97	1	271.401	2.37	1	3	8	COC(=O)COC[C@H](C)[NH2+]CC[C@@H]1CCCC[C@H]1C
214179085	ZINC000337608556	ref	7.85	-7.79	0	260.381	3.053	0	2	4	CCC1(C)CCN(C(=O)CCc2ccccn2)CC1
398247466	ZINC000356350615	ref	5.3	-8.35	0	242.363	2.243	1	2	5	CCC[C@H](CNC(=O)N1CCC(C)CC1)OC
178295883	ZINC000237070973	ref	2.02	-62.83	1	362.517	1.474	1	4	8	CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1
178295897	ZINC000237069669	ref	6.39	-46.38	1	358.438	1.883	3	5	7	COC(=O)c1cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)oc1C
178295901	ZINC000237069669	mid	6.38	-46.81	1	358.438	1.883	3	5	7	COC(=O)c1cc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)oc1C
178295903	ZINC000237069669	low	7.83	-126.31	2	358.438	1.883	3	4	7	COC(=O)c1cc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)oc1C
178295907	ZINC000237069669	low	7.8	-126.56	2	358.438	1.883	3	4	7	COC(=O)c1cc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)oc1C
178295911	ZINC000237069669	high	4.2	-9.85	0	358.438	1.883	2	6	7	COC(=O)c1cc(CNC[C@@H](O)CN2CCc3ccccc3C2)oc1C
178295915	ZINC000237073890	ref	10.85	-62.69	-1	357.41	1.843	0	6	7	COCCN(CC(=O)[O-])C(=O)c1nn(-c2ccc(C)cc2)c2c1CCC2
178295922	ZINC000237070164	ref	6.45	-51.79	-1	373.203	1.484	1	5	5	CN(CC(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(Br)o1
214179087	ZINC000337606526	ref	2.49	-17.49	0	280.324	0.745	2	4	7	CN(CCOCCO)C(=O)c1cc(C2CC2)[nH]c(=O)c1
259308952	ZINC000306278826	low	5.88	-34.01	1	210.668	1.17	1	3	2	C#C[C@H](C)N(C)c1nc[nH+]c(N)c1Cl
199273354	ZINC000294964292	mid	5.4	-7.63	0	296.292	3.056	1	3	6	C[C@H](CNCc1cc(F)ncc1F)Oc1ccc(F)cc1
349533688	ZINC000621227313	ref	5.08	-11.6	0	270.76	2.247	1	3	7	COCCCN(C)C(=O)CNc1ccccc1Cl
168365784	ZINC000020281097	ref	-1.74	-42.31	1	143.108	0.257	2	1	1	C[C@@H]([NH3+])[C@@H](O)C(F)(F)F
197599986	ZINC000162929571	high	2.82	-36.23	-1	305.346	2.199	0	3	3	C[C@H]1CC([N-]S(=O)(=O)c2ccc(F)c(F)c2)C[C@H](C)O1
398247468	ZINC000651455773	ref	8.18	-39.94	1	277.383	3.448	1	1	5	CO[C@H]1CCC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C1
342600087	ZINC000616997854	mid	6.55	-41.74	1	268.401	1.792	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCCO2)C1
342600088	ZINC000590845311	ref	8.06	-47.49	1	291.399	1.324	2	3	2	C[NH+]1CCC(NC(=O)N2CCC[C@H](n3ccnc3)C2)CC1
214179081	ZINC000053370929	ref	5.87	-21.47	0	328.821	2.122	0	4	6	CCN(C[C@@H](C)C#N)C(=O)CS(=O)(=O)c1ccc(Cl)cc1
214179083	ZINC000053358085	ref	5.89	-23.71	0	341.371	1.12	1	4	3	CN1CC(=O)N(CC(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)C1=O
342600089	ZINC000590845311	low	8.77	-79.85	2	291.399	1.324	2	2	2	C[NH+]1CCC(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)CC1
361823059	ZINC000035841793	ref	7.44	-42.33	1	268.357	2.008	1	2	4	C[NH2+]CCN1C(=O)[C@@H](C)S[C@@H]1c1ccccc1F
342600090	ZINC000590845311	high	5.67	-12.8	0	291.399	1.324	1	4	2	CN1CCC(NC(=O)N2CCC[C@H](n3ccnc3)C2)CC1
214179089	ZINC000053371173	ref	8.73	-21.4	0	337.379	2.532	0	5	7	COc1cc(C#N)ccc1OCC(=O)N(Cc1ccccn1)C1CC1
342600091	ZINC000590845416	ref	6.2	-46.73	1	279.388	1.218	2	3	5	Cn1cc([C@H]2CCCN2C(=O)NCCC[NH+](C)C)cn1
398247470	ZINC000651456969	ref	8.02	-7.06	0	276.405	3.149	1	2	1	O=C(NC1CC2(CCC2)C1)N1CCc2ccsc2C1
398247472	ZINC000651455888	ref	8.65	-6.32	0	295.814	3.153	1	2	3	CN(Cc1cc(Cl)cn1C)C(=O)NC1CC2(CCC2)C1
342600092	ZINC000590845081	ref	5.62	-38.55	1	283.416	1.416	3	2	4	CCC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1
342600093	ZINC000590845081	mid	3.46	-8.98	0	283.416	1.416	2	3	4	CCC[C@H](C)NC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1
342600094	ZINC000590844378	ref	4.37	-44.43	1	277.372	1.637	3	3	4	Cc1ncc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)cn1
361823068	ZINC000035815557	ref	7.62	-36.39	1	272.396	2.147	2	3	5	CC[N@@H+]1CCC[C@@H]1CNCc1nc2ccccc2n1C
361823074	ZINC000035815557	mid	5.83	-47.9	1	272.396	2.147	2	3	5	CC[N@H+]1CCC[C@@H]1CNCc1nc2ccccc2n1C
342600095	ZINC000590844378	mid	4.37	-44.43	1	277.372	1.637	3	3	4	Cc1ncc(NC(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)cn1
342600096	ZINC000590845025	ref	7.05	-12.55	0	250.346	1.886	1	3	3	CC(C)CNC(=O)N1CCC[C@H](n2ccnc2)C1
342600097	ZINC000590845025	low	7.76	-41.85	1	250.346	1.886	1	2	3	CC(C)CNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342600098	ZINC000590844694	ref	5.32	-18.33	0	292.404	1.86	0	3	2	Cc1ccc(C(=O)N2CC[S@](=O)[C@@H](C)C2)c(C2CC2)n1
342085187	ZINC000625350702	ref	6.15	-18.33	0	275.333	1.832	1	4	1	O=C(c1cc(=O)[nH]cn1)N1CCCc2sccc2C1
342085188	ZINC000625350702	high	5.0	-42.55	-1	275.333	1.832	0	4	1	O=C(c1cc(=O)[n-]cn1)N1CCCc2sccc2C1
342085189	ZINC000625350532	ref	5.59	-10.61	0	269.37	1.49	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2cncn2CC)C1
349533691	ZINC000618810707	ref	6.37	-7.6	0	287.425	1.782	0	5	3	CC(C)(C)OC(=O)[C@@H]1CN(C[C@H]2CCSC2)CCO1
349533696	ZINC000618810707	mid	8.76	-48.78	1	287.425	1.782	1	4	3	CC(C)(C)OC(=O)[C@@H]1C[N@H+](C[C@H]2CCSC2)CCO1
342085190	ZINC000625350860	ref	3.41	-11.31	0	259.371	1.251	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)C[C@H]2CCOC2)C1
342085191	ZINC000625350726	ref	3.68	-15.02	0	294.323	1.728	0	4	3	C[C@H]1CN(S(=O)(=O)Cc2ccon2)C[C@@H](C)C1(F)F
342085192	ZINC000625356664	ref	5.81	-10.19	0	288.363	1.222	0	3	6	CCCN(CCC)C(=O)C(=O)N1CCO[C@@H](CCF)C1
342085193	ZINC000625350453	ref	2.35	-13.55	0	299.392	1.254	1	4	6	COCCCS(=O)(=O)N[C@@H]1COc2cccc(C)c2C1
214179088	ZINC000293499225	ref	0.32	-17.9	0	369.443	0.599	3	5	9	NS(=O)(=O)CCCCNC(=O)C(=O)Nc1ccccc1OCC1CC1
214179093	ZINC000293496190	ref	3.94	-39.42	1	367.409	0.791	3	5	4	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1ccccn1)C2
214179096	ZINC000293496190	low	3.94	-39.42	1	367.409	0.791	3	4	4	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2
214179098	ZINC000293493533	ref	5.2	-11.16	0	358.45	0.2	1	8	5	Cn1ncc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1
214179102	ZINC000293493533	mid	6.78	-93.37	2	358.45	0.2	1	9	5	Cn1ncc(CN[C@@H]2CCCN(c3cc(N4CCOCC4)ncn3)C2)n1
214179105	ZINC000293493533	low	6.78	-93.37	2	358.45	0.2	1	7	5	Cn1ncc(C[NH2+][C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)n1
214179109	ZINC000293491701	ref	-0.44	-9.51	0	367.187	0.088	2	5	5	CN(CC(C)(CO)CO)C(=O)c1cnn(C)c1I
214179113	ZINC000293503374	ref	2.49	-15.92	0	360.393	0.826	3	5	3	O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CC[C@@](O)(c2cn[nH]n2)C1
342085194	ZINC000625357058	ref	4.93	-6.46	0	296.411	1.256	1	3	5	CCCN(CCC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1
342085195	ZINC000625351237	ref	4.06	-15.41	0	252.314	1.375	1	4	5	COC1CC(C(=O)NCCc2c(C)noc2C)C1
342085196	ZINC000625350779	ref	3.72	-9.22	0	252.339	1.668	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1
342085197	ZINC000625350773	ref	3.42	-8.81	0	285.356	1.576	0	3	5	CCOCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1
343995042	ZINC000625565436	mid	9.14	-33.54	1	225.376	2.779	1	1	7	CCO[C@H](C[N@@H+](C)C[C@@H]1CC1(C)C)C1CC1
365626501	ZINC000354688917	ref	5.73	-5.58	0	296.411	1.709	1	3	4	C[C@H]1OCC[C@H]1NC(=O)C(=O)N(C)CCC1CCCCC1
365626511	ZINC000354690819	ref	5.62	-13.31	0	293.371	1.106	1	5	3	CO[C@H]1CCCN(C(=O)N[C@H](C)c2nnc3n2CCC3)C1
168365523	ZINC000368506383	low	10.78	-47.61	1	343.427	3.135	1	4	3	Cc1cccc([C@@]2(F)CC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)c1
282121017	ZINC000151608568	ref	6.05	-12.14	0	314.385	2.202	2	4	7	CCOc1cccnc1C(=O)N[C@H](C)[C@H](O)Cc1ccccc1
365626518	ZINC000354690625	ref	4.72	-8.66	0	284.278	1.968	2	3	6	CCOC(=O)CC[C@H](C)NC(=O)N[C@H](C)C(F)(F)F
365626525	ZINC000354690079	ref	4.59	-6.57	0	269.341	1.261	1	4	4	COC(=O)C[C@@]1(NC(=O)C2CC(C)(C)C2)CCOC1
365626530	ZINC000354690483	ref	4.61	-9.55	0	257.293	1.594	1	4	5	CO[C@@H](CNC(=O)c1cncnc1)c1ccccc1
365626537	ZINC000354688949	ref	5.36	-8.62	0	291.347	1.219	2	4	6	COC(=O)[C@H](NC(=O)C[C@@H]1C[C@H]1c1ccccc1)[C@@H](C)O
230741740	ZINC000414362116	ref	6.56	-11.87	0	308.765	3.13	1	3	6	C=CCC[C@@H]1NC(=O)N(c2cc(OCC)ccc2Cl)C1=O
365626546	ZINC000354689944	ref	6.2	-14.85	0	280.29	1.844	1	2	3	CC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)CC(F)(F)F
365626556	ZINC000354688952	ref	4.79	-6.93	0	291.347	1.219	2	4	6	COC(=O)[C@H](NC(=O)C[C@@H]1C[C@@H]1c1ccccc1)[C@H](C)O
365626563	ZINC000354688960	ref	3.26	-9.99	0	297.443	1.67	2	3	7	CCC(=O)N[C@@H]1CCCN([C@@H](C)C(=O)NC(CC)CC)C1
365626570	ZINC000354688960	mid	6.34	-43.5	1	297.443	1.67	3	2	7	CCC(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(CC)CC)C1
365626577	ZINC000354688960	mid	5.8	-44.42	1	297.443	1.67	3	2	7	CCC(=O)N[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(CC)CC)C1
365626587	ZINC000354689942	ref	6.27	-16.71	0	280.29	1.844	1	2	3	CC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)CC(F)(F)F
342085198	ZINC000625351116	ref	3.39	-14.0	0	287.356	1.578	1	3	5	Cc1cccc2c1C[C@H](NS(=O)(=O)CCCF)CO2
365639590	ZINC000343914581	ref	4.93	-7.36	0	240.347	2.138	1	2	2	CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCO[C@H]1C
342085199	ZINC000625350859	ref	3.43	-10.7	0	259.371	1.251	0	3	5	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H]2CCOC2)C1
342085200	ZINC000625351213	ref	1.24	-15.71	0	260.24	1.457	2	3	5	CC(C)[C@@H](NC(=O)c1coc(C(F)F)c1)C(N)=O
342085201	ZINC000625351230	ref	3.24	-13.34	0	250.342	1.352	2	2	3	O=C1NCC[C@@]1(C(=O)NC1CCC1)C1CCCC1
342085202	ZINC000046727997	ref	7.87	-13.67	0	274.364	1.7	0	2	4	CC(=O)N1CCN(C(=O)CCCc2ccccc2)CC1
342085203	ZINC000625350795	ref	4.14	-10.03	0	255.33	1.949	0	2	3	CCCS(=O)(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1
365626503	ZINC000641592536	mid	6.38	-38.13	1	262.357	1.084	1	4	2	Cc1cncnc1N1C[C@@H]([NH+]2CCOCC2)C[C@@H]1C
365626509	ZINC000641593117	ref	1.86	-15.35	0	258.318	1.02	1	4	4	C[C@H](Nc1ccncc1F)C1(S(C)(=O)=O)CC1
230741736	ZINC000450472285	ref	5.12	-9.3	0	301.289	1.12	1	4	6	COC[C@H](NC(=O)Cc1cc(F)c(C)cc1F)C(=O)OC
365626513	ZINC000641593117	low	2.33	-44.15	1	258.318	1.02	1	3	4	C[C@H](Nc1cc[nH+]cc1F)C1(S(C)(=O)=O)CC1
342085204	ZINC000600312517	ref	4.88	-11.1	0	250.277	1.875	1	4	4	N#CC1(C(=O)Nc2cnn(CCF)c2)CCCC1
197600014	ZINC000162929695	ref	7.88	-11.1	0	303.28	2.958	1	3	7	Cc1ccc(C(=O)CCC(=O)NOCCC(F)(F)F)cc1
197600016	ZINC000162929695	high	7.3	-42.68	-1	303.28	2.958	0	3	7	Cc1ccc(C(=O)CCC(=O)[N-]OCCC(F)(F)F)cc1
197600018	ZINC000162920013	ref	3.57	-12.04	0	306.391	1.232	1	6	4	O=C(c1cn(Cc2cccs2)nn1)N1CCC[C@H](CO)C1
365626519	ZINC000641592382	ref	2.19	-9.59	0	298.408	1.6	1	4	5	CCNS(=O)(=O)c1ccccc1N(C)[C@H]1CCCOC1
365626526	ZINC000479754448	ref	3.73	-10.07	0	298.427	1.85	2	3	2	C[C@@H]1CN(C(=O)N[C@H]2CCO[C@H](C(C)(C)C)C2)C[C@H]1CO
398247469	ZINC000181782049	ref	6.79	-7.6	0	247.269	3.596	1	2	2	Cc1cc(C)c(C(=O)Nc2cccc(C)c2F)o1
398247473	ZINC000356344627	ref	6.29	-36.37	1	201.354	2.827	1	1	9	CCC[C@H](C[NH2+]CC(CC)CC)OC
230741741	ZINC000450471378	ref	5.29	-14.26	0	307.346	1.098	1	5	9	C=CCOc1ccc(CC(=O)N[C@@H](COC)C(=O)OC)cc1
197600027	ZINC000162927248	ref	9.53	-49.46	-1	306.391	2.045	0	7	8	CCCn1c(CCc2ccncc2)nnc1SCC(=O)[O-]
299072492	ZINC000354603954	ref	2.28	-16.26	0	336.479	0.616	0	4	3	O=S1(=O)CCN(S(=O)(=O)N2CCC[C@@H]2C2CCCC2)CC1
197600035	ZINC000162925216	ref	4.21	-11.83	0	322.409	2.241	2	4	6	CCC(CC)c1cc(C(=O)N2CCCC[C@@H]2CNC(N)=O)on1
342085205	ZINC000625356620	ref	4.82	-4.69	0	284.4	1.397	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1CCCC[C@@H]1C
342085206	ZINC000625353045	ref	5.18	-5.71	0	272.389	1.566	1	3	9	CCCCN(C)C(=O)C(=O)NC[C@H](CCC)OCC
342085207	ZINC000625351123	ref	4.45	-10.64	0	280.393	1.719	1	2	4	CC1(C)[C@@H](NS(=O)(=O)N2CCC2)[C@@H]1c1ccccc1
342085208	ZINC000625350780	ref	3.71	-9.48	0	252.339	1.668	0	3	4	C=CC[C@H]1CCN(S(=O)(=O)c2cccnc2)C1
342085209	ZINC000600312537	ref	5.75	-11.8	0	285.319	1.913	1	5	6	CC(C)(C)OC(=O)CCC(=O)Nc1cnn(CCF)c1
342085210	ZINC000625350725	ref	3.89	-9.71	0	290.335	1.993	0	3	2	C[C@H]1CN(S(=O)(=O)c2cccnc2)C[C@H](C)C1(F)F
342085211	ZINC000625356871	ref	1.81	-14.64	0	277.349	1.536	2	4	4	CC(C)[C@@H](NC(=O)c1nccc2ccsc12)C(N)=O
342085212	ZINC000608943774	ref	6.73	-13.49	0	251.282	1.437	0	4	5	CCN(Cc1ccoc1)C(=O)[C@H]1C[C@H]1C(=O)OC
349533694	ZINC000621226282	ref	4.79	-7.2	0	261.247	2.185	1	3	4	CC(C)(CNC(=O)c1ccncn1)CC(F)(F)F
168365786	ZINC000054161296	ref	2.08	-37.53	1	195.266	1.617	1	3	3	C[C@@H]([NH3+])Cc1noc(C2CCCC2)n1
342085213	ZINC000625356597	ref	7.21	-7.6	0	280.412	1.746	1	2	6	CCO[C@H](C[N@@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1
214179090	ZINC000278478134	ref	3.12	-22.39	0	322.361	1.454	2	5	6	COc1ccc(NC(=O)[C@H]2CC[C@H](C(N)=O)O2)cc1OC(C)C
214179094	ZINC000278476065	ref	5.13	-44.76	1	321.417	3.185	2	3	6	OCC[C@@]1([NH2+]Cc2ccc(-c3ccc(F)cc3)s2)CCOC1
214179095	ZINC000278476065	high	4.05	-6.2	0	321.417	3.185	2	4	6	OCC[C@@]1(NCc2ccc(-c3ccc(F)cc3)s2)CCOC1
214179099	ZINC000278477627	ref	5.0	-12.39	0	303.358	2.055	1	4	4	C=C(C)[C@H]1OCC[C@H]1C(=O)NCc1ccc2c(c1)OCCO2
178295913	ZINC000082790629	ref	2.35	-52.24	1	265.737	1.99	1	2	4	CC[C@@H](C[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1
178295914	ZINC000082790629	high	2.79	-9.38	0	265.737	1.99	1	3	4	CC[C@@H](CN)S(=O)(=O)c1ccc(F)c(Cl)c1
185091285	ZINC000096081679	low	5.0	-36.24	1	278.356	0.354	1	4	2	CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21
185091286	ZINC000096081679	low	4.7	-42.93	1	278.356	0.354	1	4	2	CC(C)[N@H+]1CCO[C@H]2CN(C(=O)c3ccn(C)n3)C[C@H]21
178295917	ZINC000082790616	ref	2.43	-55.81	1	265.737	1.992	1	2	5	[NH3+]CCCCS(=O)(=O)c1ccc(F)c(Cl)c1
214179104	ZINC000278476595	ref	7.57	-11.02	0	320.408	3.273	0	3	4	CC(C)[C@]1(C)C[C@@H]1C(=O)N1CCC(Oc2ncccc2F)CC1
342085214	ZINC000625356597	mid	9.18	-38.75	1	280.412	1.746	1	2	6	CCO[C@H](C[N@H+]1CCCN(C(=O)C2CC2)CC1)C1CC1
342085215	ZINC000625356597	high	7.21	-7.6	0	280.412	1.746	0	3	6	CCO[C@H](CN1CCCN(C(=O)C2CC2)CC1)C1CC1
342085216	ZINC000625351227	ref	3.4	-12.38	0	250.342	1.352	2	2	3	O=C1NCC[C@]1(C(=O)NC1CCC1)C1CCCC1
197600019	ZINC000290115454	ref	4.75	-9.39	0	281.377	1.977	1	4	3	C[C@H](NC(=O)[C@@H]1OC[C@H]2COCC[C@H]21)c1cccs1
282121018	ZINC000248963094	ref	-1.62	-8.3	0	319.405	1.532	2	6	8	Cc1ccccc1Cc1nnc(CN(C[C@H](C)O)[C@H](C)CO)o1
342085217	ZINC000608943770	ref	6.79	-10.83	0	251.282	1.437	0	4	5	CCN(Cc1ccoc1)C(=O)[C@@H]1C[C@H]1C(=O)OC
342085218	ZINC000600312541	ref	5.33	-17.18	0	285.319	1.77	1	5	7	COC(=O)CC(C)(C)CC(=O)Nc1cnn(CCF)c1
342085219	ZINC000625351044	ref	4.29	-8.18	0	272.348	1.198	2	2	4	CC(C)[C@H](NC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21)C(N)=O
365626514	ZINC000625045767	mid	6.66	-34.32	1	318.461	2.385	3	3	7	C[N@H+](Cc1ccccc1N1CCCC1)C[C@H](O)CC1(O)CCC1
398247471	ZINC000192221805	low	4.49	-52.3	1	249.27	0.17	3	3	5	C#CC[N@@H+](C)CC(=O)NC(=O)NCc1ccco1
398247474	ZINC000192221805	low	4.49	-52.35	1	249.27	0.17	3	3	5	C#CC[N@H+](C)CC(=O)NC(=O)NCc1ccco1
365626521	ZINC000625045767	high	4.37	-4.44	0	318.461	2.385	2	4	7	CN(Cc1ccccc1N1CCCC1)C[C@H](O)CC1(O)CCC1
365626533	ZINC000625045709	ref	5.91	-12.05	0	314.357	2.297	1	2	6	CN(Cc1ccc[nH]1)S(=O)(=O)CCc1c(F)cccc1F
365626544	ZINC000625046677	ref	7.78	-43.63	1	311.47	2.412	1	2	4	C[C@H]1CN(C(=O)N(CC[NH+](C)C)C2CCCCC2)C[C@@H](C)O1
230741761	ZINC000450468950	ref	5.2	-10.27	0	301.39	1.155	2	3	6	O=C(CNC(=O)[C@H]1CCN(c2ccccc2)C1)NCC1CC1
178295923	ZINC000039109844	ref	6.52	-49.27	-1	217.224	1.545	0	4	1	Cc1cc2ccc(C(=O)[O-])cc2n(C)c1=O
178295925	ZINC000191998357	ref	3.47	-50.98	1	245.326	2.398	3	1	3	Cc1cc2cc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])ccc2[nH]1
398247476	ZINC000639101534	ref	5.3	-8.56	0	238.356	1.987	0	3	3	CCN1CN(Cc2csc(C)c2C)CC1=O
342085220	ZINC000046694299	ref	1.59	-17.23	0	299.334	1.447	3	4	4	Cc1nccc(-c2cccc(NC(=O)[C@@H](C)NC(N)=O)c2)n1
398247478	ZINC000192224526	ref	5.1	-6.54	0	225.238	2.353	0	2	5	C#CCN(C)Cc1ccccc1OC(F)F
178295937	ZINC000049017773	ref	7.62	-11.92	0	214.22	3.156	0	3	0	Cc1cc2cc3c(C)coc3cc2oc1=O
398247484	ZINC000192224526	mid	7.47	-37.79	1	225.238	2.353	1	1	5	C#CC[N@@H+](C)Cc1ccccc1OC(F)F
398247488	ZINC000192224526	mid	7.27	-37.45	1	225.238	2.353	1	1	5	C#CC[N@H+](C)Cc1ccccc1OC(F)F
398247491	ZINC000192238960	ref	5.88	-13.15	0	241.294	1.068	0	4	3	C#CCN(C)Cc1cc(=O)n2cccc(C)c2n1
178295946	ZINC000003847100	ref	10.07	-9.51	0	234.298	3.97	0	1	0	Cc1cc2cc3ccccc3cc2cc(C)c1=O
178295952	ZINC000043844607	ref	5.3	-16.64	0	244.294	2.594	2	2	2	Cc1cc2cc(NC(=O)[C@H]3CCCO3)ccc2[nH]1
398247496	ZINC000192238960	mid	8.28	-42.53	1	241.294	1.068	1	3	3	C#CC[N@@H+](C)Cc1cc(=O)n2cccc(C)c2n1
178295959	ZINC000179585230	ref	5.05	-36.75	1	247.338	3.081	2	2	4	Cc1cc2cc([C@H](C)[NH2+]C[C@@H](C)O)oc2cc1C
365626551	ZINC000625046677	high	4.55	-8.05	0	311.47	2.412	0	3	4	C[C@H]1CN(C(=O)N(CCN(C)C)C2CCCCC2)C[C@@H](C)O1
230741768	ZINC000450471951	ref	6.2	-16.89	0	308.426	1.685	1	5	6	Cc1nc(C)n(CCCC(=O)N(C)C[C@@H]2CCCC[C@H]2O)n1
398247498	ZINC000192238960	mid	8.85	-43.04	1	241.294	1.068	1	3	3	C#CC[N@H+](C)Cc1cc(=O)n2cccc(C)c2n1
342600099	ZINC000197386019	ref	4.19	-13.19	0	252.274	1.689	2	4	3	Cc1n[nH]c(C(=O)NC2CCCCC2)c1[N+](=O)[O-]
342600100	ZINC000617000309	ref	5.23	-38.92	1	268.401	1.648	2	2	3	C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CO1
342600101	ZINC000617000309	mid	5.17	-38.59	1	268.401	1.648	2	2	3	C[C@@H]1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CO1
199273248	ZINC000294962646	low	3.61	-33.49	1	288.189	1.528	2	3	2	C[C@H]1[C@@H](O)CCC[N@@H+]1Cc1c(Br)cnn1C
342600102	ZINC000616997855	ref	6.49	-41.2	1	268.401	1.792	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCO2)C1
342600103	ZINC000616997855	mid	6.55	-41.68	1	268.401	1.792	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCCO2)C1
199273250	ZINC000294962646	low	3.24	-36.09	1	288.189	1.528	2	3	2	C[C@H]1[C@@H](O)CCC[N@H+]1Cc1c(Br)cnn1C
199273252	ZINC000294962538	ref	7.62	-14.98	0	287.363	1.659	0	4	2	CCN1CCCN(c2ccc3c(n2)CCCC3=O)CC1=O
199273254	ZINC000294964806	ref	4.89	-110.29	2	273.38	1.08	2	1	4	C[C@H]([NH2+]C1CC1)C(=O)N1C[C@@H]([NH3+])[C@H](c2ccccc2)C1
199273256	ZINC000294964806	high	3.78	-58.76	1	273.38	1.08	2	2	4	C[C@H](NC1CC1)C(=O)N1C[C@@H]([NH3+])[C@H](c2ccccc2)C1
199273258	ZINC000294962683	ref	6.97	-16.57	0	297.362	1.604	1	5	3	Cc1nc(C2CC2)ccc1C(=O)N[C@H]1CCc2ncnn2C1
214179091	ZINC000337610714	ref	5.9	-9.36	0	296.779	3.053	1	4	5	C[C@H](NC(=O)COc1ccsc1)c1ccc(Cl)cn1
214179101	ZINC000337607472	ref	5.33	-9.21	0	293.407	2.284	1	3	9	CC(C)C[C@H](C(=O)N(C)CCOCCO)c1ccccc1
214179107	ZINC000337607520	ref	4.18	-18.77	0	292.335	0.952	1	4	5	COc1cccc(N2C[C@@H](NC(=O)[C@H](C)OC)CC2=O)c1
214179112	ZINC000337607422	ref	2.77	-10.77	0	257.33	0.459	1	4	7	C[C@@H]1C(=O)CC[C@H]1CC(=O)N(C)CCOCCO
306234550	ZINC000557853846	ref	7.17	-45.31	1	337.42	1.945	1	3	3	C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
214179119	ZINC000337610169	ref	7.84	-14.31	0	286.375	3.221	1	2	4	COc1c(C)cc(CN(C)C(=O)c2c[nH]cc2C)cc1C
398247475	ZINC000651455940	ref	7.47	-11.96	0	293.436	3.18	1	3	4	CCc1cnc(CN(C)C(=O)NC2CC3(CCC3)C2)s1
282121019	ZINC000533453153	ref	2.62	-18.12	0	280.368	1.274	2	3	5	CC1=C(C(=O)N[C@H](CC(N)=O)C2CCOCC2)CCC1
282121027	ZINC000533458428	ref	1.84	-10.57	0	269.345	1.328	2	5	7	CCCCn1ncc(NC(=O)[C@@](C)(O)COC)c1C
214179132	ZINC000337606393	ref	3.38	-12.43	0	251.273	0.745	1	3	7	CCN(CCOCCO)C(=O)[C@H]1[C@H](C)C1(F)F
199273261	ZINC000294964535	ref	9.42	-8.37	0	262.357	2.381	0	5	9	CCCCCN(CCCOC)c1nccc(C#N)n1
342600104	ZINC000616997251	ref	5.61	-38.82	1	270.417	1.896	2	2	6	COC[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365626529	ZINC000576570019	mid	3.22	-6.58	0	247.342	2.101	0	4	2	Cc1cnc([C@H](C)N2CCC3(CCO3)CC2)cn1
342600105	ZINC000616997251	mid	5.61	-39.51	1	270.417	1.896	2	2	6	COC[C@H](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600106	ZINC000590845078	ref	4.98	-42.88	1	283.416	1.416	3	2	4	CCC[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1
342600107	ZINC000590845078	mid	2.82	-9.22	0	283.416	1.416	2	3	4	CCC[C@H](C)NC(=O)N1CCN([C@@H]2CCC[C@H]2O)CC1
412491666	ZINC000573450479	ref	4.66	-12.83	0	319.369	-0.042	2	8	3	CC(C)(C)[C@H](C#N)NC(=O)c1nc(N)nc(N2CCOCC2)n1
342600108	ZINC000616997788	ref	6.15	-36.56	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ncn1
342600109	ZINC000616997788	mid	6.15	-36.92	1	276.384	1.635	2	3	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ncn1
342600110	ZINC000590844566	ref	3.29	-7.8	0	252.358	1.947	3	2	6	O=C(NCCC1=CCCCC1)NC[C@H](O)C1CC1
398247477	ZINC000356352072	ref	1.89	-7.09	0	240.225	1.273	2	2	5	CO[C@H](CNC(=O)NCC(F)(F)F)C1CC1
342600654	ZINC000590862063	mid	3.93	-8.79	0	295.427	1.273	2	3	4	C[C@H](CNC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)C1CC1
197600041	ZINC000290115412	ref	3.67	-10.5	0	262.317	1.368	0	7	3	Cc1nc([C@H](C)N2CCC[C@H](n3cncn3)C2)no1
365626549	ZINC000576569321	ref	7.97	-45.95	1	227.311	2.453	2	1	4	c1nc2cc(C[NH2+]C[C@@H]3CC34CC4)ccc2[nH]1
365626557	ZINC000576569321	mid	7.96	-50.04	1	227.311	2.453	2	1	4	c1nc2ccc(C[NH2+]C[C@@H]3CC34CC4)cc2[nH]1
365626564	ZINC000576566944	ref	4.08	-12.22	0	249.376	1.639	0	3	8	C=CCCCS(=O)(=O)N(C)CC(C)(C)OC
365626575	ZINC000343774573	ref	3.08	-8.49	0	242.388	1.726	2	3	5	CC(C)(C#N)CCC[N@@H+]1CCSC[C@@H]1CO
365626585	ZINC000343774573	mid	5.18	-46.15	1	242.388	1.726	2	3	5	CC(C)(C#N)CCC[N@H+]1CCSC[C@@H]1CO
365626590	ZINC000343774573	high	3.08	-8.49	0	242.388	1.726	1	4	5	CC(C)(C#N)CCCN1CCSC[C@@H]1CO
365626599	ZINC000576570079	ref	4.25	-9.53	0	221.304	1.922	2	2	4	CCC1(NC(=O)NCC2(C#N)CCC2)CC1
230741788	ZINC000425569376	ref	6.14	-13.84	0	318.421	2.129	1	4	4	C=C[C@@H]1OCC[C@H]1CNC(=O)N1CCC(n2ccc(C)n2)CC1
230741791	ZINC000425570699	ref	5.95	-9.94	0	320.408	2.465	3	2	7	O=C(NC[C@@H]1C[C@H]1C1CCC1)N[C@H](CO)Cc1ccc(F)cc1
342600655	ZINC000617003271	ref	3.83	-38.49	1	295.383	1.923	2	4	5	CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)on1
342600656	ZINC000617003271	mid	3.78	-38.35	1	295.383	1.923	2	4	5	CCOc1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)on1
412491668	ZINC000354597197	ref	2.04	-26.17	0	323.426	-0.437	3	7	4	CC(C)(CNc1nc(N)c2c[nH]nc2n1)N1CCS(=O)CC1
342085221	ZINC000600312397	ref	7.11	-39.64	1	258.431	1.834	2	2	5	CSC[C@@H](C)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342085222	ZINC000600312397	mid	7.01	-40.5	1	258.431	1.834	2	2	5	CSC[C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
365626534	ZINC000479762317	ref	1.7	-52.95	1	298.408	1.55	2	3	5	Cc1cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)ccc1OC(C)C
342085223	ZINC000625350858	ref	3.41	-11.17	0	259.371	1.251	0	3	5	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H]2CCOC2)C1
185091289	ZINC000096081276	ref	2.52	-14.81	0	280.349	0.556	1	4	3	O=C1C[C@@H]2[C@@H](CCN2C(=O)c2ccsc2)N1CCO
342085224	ZINC000625356885	ref	4.16	-14.5	0	282.384	1.317	1	3	4	CC(C)OC1CCN(C(=O)[C@@H](C)[C@@H]2CCC(=O)N2)CC1
342085225	ZINC000625356570	ref	5.43	-9.46	0	296.411	1.126	1	3	5	O=C(C1CC1)N1CCC[N@H+](CCOC2CCOCC2)CC1
342085226	ZINC000625356570	mid	7.34	-45.3	1	296.411	1.126	1	3	5	O=C(C1CC1)N1CCC[N@@H+](CCOC2CCOCC2)CC1
342085227	ZINC000625356570	mid	5.43	-9.46	0	296.411	1.126	0	4	5	O=C(C1CC1)N1CCCN(CCOC2CCOCC2)CC1
282121020	ZINC000171103748	ref	4.3	-13.45	0	317.324	0.795	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)C(=O)Nc1ccccc1F)CC2
342085228	ZINC000625351041	ref	4.7	-10.86	0	272.348	1.198	2	2	4	CC(C)[C@H](NC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21)C(N)=O
185091291	ZINC000096081881	ref	9.89	-39.01	1	291.464	3.091	1	3	3	c1csc(N2C[C@H]3CCC[C@@H](C[NH+]4CCCC4)[C@H]3C2)n1
185091292	ZINC000096081404	ref	7.81	-45.18	1	280.412	1.603	1	2	4	COCC[N@@H+]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1
185091294	ZINC000096081404	mid	7.44	-41.72	1	280.412	1.603	1	2	4	COCC[N@H+]1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1
185091296	ZINC000096081404	high	5.52	-7.11	0	280.412	1.603	0	3	4	COCCN1CC[C@H]2CN(C(=O)C3CCCC3)C[C@H]2C1
342085229	ZINC000625353013	ref	5.91	-7.34	0	287.363	1.512	1	3	5	CCN(Cc1ccncc1)C(=O)C(=O)NCC1CC=CC1
342085230	ZINC000625350908	ref	2.86	-11.98	0	293.344	1.87	1	4	3	Cc1cccc2c1C[C@H](NS(=O)(=O)c1ccco1)CO2
185091298	ZINC000096081275	ref	2.76	-14.19	0	280.349	0.556	1	4	3	O=C1C[C@H]2[C@H](CCN2C(=O)c2ccsc2)N1CCO
293080594	ZINC000359881462	mid	5.2	-8.39	0	270.417	1.705	0	3	6	COC[C@H](C)[C@H](C)C(=O)N1CCN(CC(C)C)CC1
342085231	ZINC000625350908	high	2.69	-45.68	-1	293.344	1.87	0	4	3	Cc1cccc2c1C[C@H]([N-]S(=O)(=O)c1ccco1)CO2
349533695	ZINC000621489064	ref	6.8	-9.22	0	294.37	3.022	1	2	3	COc1ccc(F)c(CNC(=O)N2CC[C@H](C)[C@@H](C)C2)c1
365626542	ZINC000641592651	ref	3.09	-42.78	1	289.426	1.166	0	5	2	Cc1ncc(S(=O)(=O)N2CCN(C)C(C)(C)C2)s1
197600040	ZINC000162918367	ref	6.71	-10.99	0	322.43	2.507	1	4	3	COC(=O)N1CCC(NC(=O)[C@H]2C[C@@H]2c2sccc2C)CC1
365626540	ZINC000336546336	ref	5.8	-9.11	0	260.312	2.452	0	3	2	N#Cc1c(F)cccc1CN1CCOC2(CCC2)C1
365626555	ZINC000336545629	ref	5.75	-14.43	0	285.796	2.322	0	2	1	C[C@@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H](C)S1=O
365626568	ZINC000336546502	ref	8.6	-15.58	0	290.407	2.226	1	2	3	O=C(NC1CC1)[C@H]1CCCN1C(=O)[C@@H]1CC12CCCCC2
230741779	ZINC000414363653	ref	8.36	-10.59	0	301.39	3.354	1	3	6	CCCCC[C@H]1NC(=O)N(c2ccc(C3CCC3)cn2)C1=O
178295927	ZINC000237070889	ref	4.5	-50.87	1	355.504	1.58	1	4	7	Cc1ccc(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1N(C)C
178295930	ZINC000237081339	ref	5.12	-48.68	1	356.47	1.402	2	3	3	CN1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178295934	ZINC000237081339	mid	7.47	-93.28	2	356.47	1.402	3	2	3	C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178295938	ZINC000237075339	ref	3.82	-60.66	1	374.304	1.826	2	3	5	CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)s1
178295942	ZINC000237077285	ref	5.39	-12.2	0	353.419	1.909	1	6	9	COCCN(CCOc1ccc(F)cc1)C(=O)c1csc(CN)n1
398247479	ZINC000356357872	ref	3.79	-10.77	0	215.293	0.953	1	3	7	CO[C@H](CNC(=O)COC(C)C)C1CC1
190492635	ZINC000269417217	ref	6.45	-12.47	0	292.354	3.169	1	2	1	Cc1cc(F)cc(NC(=O)N2CCC3(CCOCC3)C2)c1
349533697	ZINC000602429735	mid	2.22	-7.33	0	243.328	1.349	1	5	6	CCN(CCO)Cc1cc(C(=O)OC)cs1
342600111	ZINC000616998046	ref	5.14	-39.94	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
214179103	ZINC000053364929	ref	2.98	-48.67	1	327.45	1.639	3	3	7	CC(C)CC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
342600112	ZINC000616998046	mid	5.14	-40.56	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600113	ZINC000616998400	ref	6.75	-39.31	1	270.442	1.976	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCSC2)C1
398247482	ZINC000356357902	ref	2.92	-10.55	0	203.282	0.954	1	3	8	CCC[C@H](CNC(=O)COCC)OC
197600049	ZINC000162922275	ref	9.41	-46.62	-1	313.423	2.367	0	7	8	CCCn1c(CC[C@@H]2CCCCO2)nnc1SCC(=O)[O-]
178295950	ZINC000237077285	mid	5.82	-58.17	1	353.419	1.909	1	5	9	COCCN(CCOc1ccc(F)cc1)C(=O)c1csc(C[NH3+])n1
349533701	ZINC000162005181	ref	6.05	-9.08	0	249.354	2.484	1	2	7	CCCCN(CCO)C(=O)c1ccccc1CC
398247486	ZINC000356352265	ref	6.3	-41.96	1	237.347	1.952	1	3	6	CCC[C@]1([NH2+]Cc2cncn2CC)CCOC1
349533699	ZINC000618810707	mid	8.51	-43.18	1	287.425	1.782	1	4	3	CC(C)(C)OC(=O)[C@@H]1C[N@@H+](C[C@H]2CCSC2)CCO1
190492637	ZINC000269418713	ref	5.2	-11.82	0	275.308	1.044	0	5	4	COC(=O)C[C@@H]1CCCN1C(=O)/C=C/c1cnccn1
349533705	ZINC000618812111	ref	4.77	-21.29	0	274.324	1.234	0	5	5	COCc1ccccc1C(=O)N(C)Cc1cn(C)nn1
365626547	ZINC000641592651	low	3.02	-43.03	1	289.426	1.166	1	4	2	Cc1ncc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)s1
365626550	ZINC000641592651	low	3.09	-42.78	1	289.426	1.166	1	4	2	Cc1ncc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)s1
214179106	ZINC000053364929	mid	2.97	-48.39	1	327.45	1.639	3	3	7	CC(C)CC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
214179110	ZINC000053364929	mid	0.69	-16.6	0	327.45	1.639	2	4	7	CC(C)CCN(C)[C@@H](C)C(=O)Nc1cccc(S(N)(=O)=O)c1
342085232	ZINC000625350533	ref	5.62	-10.56	0	269.37	1.49	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2cncn2CC)C1
342085233	ZINC000625350733	ref	3.68	-14.73	0	294.323	1.728	0	4	3	C[C@@H]1CN(S(=O)(=O)Cc2ccon2)C[C@@H](C)C1(F)F
259308955	ZINC000306315131	ref	6.24	-3.19	0	239.116	2.302	0	2	2	C#C[C@H](C)N(C)c1ccncc1Br
342085234	ZINC000625356630	ref	2.37	-7.88	0	268.313	1.713	0	5	4	COc1nc(C(=O)N2CCC(OC(C)C)CC2)co1
342085235	ZINC000625353044	ref	4.92	-5.88	0	272.389	1.566	1	3	9	CCCCN(C)C(=O)C(=O)NC[C@@H](CCC)OCC
342085236	ZINC000625351114	ref	3.51	-14.18	0	287.356	1.578	1	3	5	Cc1cccc2c1C[C@@H](NS(=O)(=O)CCCF)CO2
342085237	ZINC000625350724	ref	3.87	-9.44	0	290.335	1.993	0	3	2	C[C@@H]1CN(S(=O)(=O)c2cccnc2)C[C@@H](C)C1(F)F
342085238	ZINC000600312594	ref	3.82	-19.07	0	296.262	1.299	2	6	6	CCc1[nH]nc(C(=O)Nc2cnn(CCF)c2)c1[N+](=O)[O-]
342085239	ZINC000625351214	ref	1.26	-15.36	0	260.24	1.457	2	3	5	CC(C)[C@H](NC(=O)c1coc(C(F)F)c1)C(N)=O
342085240	ZINC000625350971	ref	4.4	-15.44	0	291.376	1.88	2	3	4	CC1(C)[C@@H](NS(=O)(=O)c2c[nH]cn2)[C@@H]1c1ccccc1
342085241	ZINC000625350971	high	4.15	-53.06	-1	291.376	1.88	1	3	4	CC1(C)[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)[C@@H]1c1ccccc1
342085242	ZINC000625350839	ref	3.56	-9.3	0	298.184	1.507	0	3	2	C[C@@H]1C(=O)N(C)CCN1Cc1ccncc1Br
342088579	ZINC000121502404	ref	6.73	-43.71	1	290.411	1.751	1	3	3	CCc1nccn1[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1
342088580	ZINC000121502404	mid	7.19	-75.78	2	290.411	1.751	1	2	3	CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@]2(C)CCC[NH2+]2)C1
342088581	ZINC000121423204	ref	2.26	-5.92	0	251.277	1.827	0	4	2	FC(F)(F)CN1CCN(c2nccs2)CC1
342088654	ZINC000046828093	ref	5.2	-10.7	0	292.379	1.818	1	3	6	CC(C)OCc1ccc(C(=O)N[C@@H](C)C(=O)N(C)C)cc1
178295951	ZINC000237070340	ref	4.16	-60.58	1	374.304	1.826	2	3	5	CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)s1
365626558	ZINC000641593115	ref	1.88	-14.93	0	258.318	1.02	1	4	4	C[C@@H](Nc1ccncc1F)C1(S(C)(=O)=O)CC1
136228716	ZINC000285184594	ref	3.78	-5.06	0	210.277	2.676	0	4	6	C=C(C)CCc1noc([C@@H](CC)OC)n1
365626567	ZINC000641593115	low	2.34	-43.52	1	258.318	1.02	1	3	4	C[C@@H](Nc1cc[nH+]cc1F)C1(S(C)(=O)=O)CC1
365626576	ZINC000479757070	ref	1.13	-52.61	1	272.395	1.176	2	3	4	CSc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1
365626589	ZINC000641592755	ref	3.06	-13.39	0	289.36	1.559	1	4	5	O=S(=O)(NC[C@@H]1C[C@H]1c1cccnc1)c1cccnc1
365626597	ZINC000479762857	ref	-0.04	-53.53	1	290.772	1.117	2	3	4	COc1ccc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1Cl
365626605	ZINC000641592545	ref	3.77	-11.54	0	295.408	1.361	1	3	5	C[C@@H]1CCN(S(=O)(=O)NC[C@@H]2C[C@H]2c2cccnc2)C1
365638916	ZINC000625084586	ref	5.65	-8.89	0	322.371	2.431	0	3	5	CCCN(CC(F)(F)F)C(=O)CN1CCO[C@H]2CCCC[C@H]21
178295953	ZINC000237081067	ref	5.12	-48.55	1	356.47	1.402	2	3	3	CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1
230741795	ZINC000450471358	ref	6.16	-15.63	0	305.382	1.083	1	7	8	COCCCN(CCO)c1ccc2nnc([C@@H]3C[C@H]3C)n2n1
432002784	ZINC000103079119	ref	8.39	-16.13	0	305.337	3.383	1	4	5	CC[C@H](C#N)NC(=O)c1cccc(Oc2ccc(C#N)cc2)c1
178295960	ZINC000237081067	mid	7.47	-92.56	2	356.47	1.402	3	2	3	C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1
178295964	ZINC000237075550	ref	4.16	-14.14	0	359.47	1.276	2	4	5	CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2COCCN2)CC1)c1ccccc1
432002788	ZINC000103073426	ref	8.66	-11.42	0	305.418	3.216	0	3	6	COc1ccccc1[C@@H](C)CC(=O)N(C)C[C@H]1CCCCO1
178295968	ZINC000237075550	mid	5.54	-46.25	1	359.47	1.276	2	3	5	CC[C@H](C(=O)N1CCC(NC(=O)[C@@H]2COCC[NH2+]2)CC1)c1ccccc1
365638923	ZINC000625084604	ref	6.79	-18.53	0	305.296	2.253	0	3	8	COCCN(CC(F)F)C(=O)[C@H](OC)c1ccc(F)cc1
178295971	ZINC000237075524	ref	2.62	-62.25	1	359.879	1.204	2	3	6	CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1
365638927	ZINC000625087790	ref	7.5	-14.09	0	312.413	2.136	2	2	3	CC(=O)NC1CCC(NC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)CC1
365638930	ZINC000625087664	ref	4.94	-12.45	0	318.417	2.469	2	3	5	CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c(C)cccc2O)C1
259308957	ZINC000306315131	mid	6.7	-34.24	1	239.116	2.302	0	1	2	C#C[C@H](C)N(C)c1cc[nH+]cc1Br
214179108	ZINC000278477535	ref	6.94	-40.52	1	306.406	2.967	2	3	6	COc1ccc([C@@H](CNC(=O)OC(C)C)[NH+]2CCCC2)cc1
214179111	ZINC000278477535	mid	4.23	-7.38	0	306.406	2.967	1	4	6	COc1ccc([C@@H](CNC(=O)OC(C)C)N2CCCC2)cc1
306234551	ZINC000557853846	high	5.41	-9.46	0	337.42	1.945	0	4	3	C[C@@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)c1ccc(C#N)cc1F
306234552	ZINC000557846949	ref	3.85	-8.23	0	336.319	1.014	2	5	4	COC(=O)c1cc(F)ccc1NC(=O)C(=O)NCC1=CCCOC1
214179121	ZINC000278477447	ref	5.82	-13.82	0	321.333	2.322	1	7	8	CC[C@H](O)c1nccn1CCOc1ccc(OC)cc1[N+](=O)[O-]
230741782	ZINC000414363754	ref	3.1	-12.06	0	309.373	3.264	1	6	6	CCc1ncc(CNc2ccc(-c3nnc(CC)o3)cc2)cn1
214179125	ZINC000278477171	ref	3.15	-16.25	0	320.393	1.079	2	4	5	CC(=O)NCCNC(=O)N1CCC(Oc2ccncc2C)CC1
214179129	ZINC000278477171	mid	3.61	-46.65	1	320.393	1.079	2	3	5	CC(=O)NCCNC(=O)N1CCC(Oc2cc[nH+]cc2C)CC1
214179134	ZINC000278477890	ref	3.55	-23.37	0	321.352	1.558	3	3	6	CC(=O)N[C@H](CC1CCC1)C(=O)Nc1cc(C(N)=O)ccc1F
214179138	ZINC000278477177	ref	9.47	-45.26	1	314.364	2.577	2	3	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCC[N@@H+]1C1CC1
342085243	ZINC000625353739	ref	2.42	-30.99	1	271.401	1.278	4	3	7	C[C@@H](CO)[N@H+](C[C@H](O)CC1(O)CCC1)C1CCCC1
342085244	ZINC000625353739	mid	2.26	-29.96	1	271.401	1.278	4	3	7	C[C@@H](CO)[N@@H+](C[C@H](O)CC1(O)CCC1)C1CCCC1
214179140	ZINC000278477177	mid	10.13	-44.2	1	314.364	2.577	2	3	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCC[N@H+]1C1CC1
342085245	ZINC000625353555	ref	1.59	-9.75	0	254.252	1.201	2	2	5	CC(C)[C@@H](NC(=O)C[C@@H](C)C(F)(F)F)C(N)=O
342085246	ZINC000625353390	ref	6.73	-5.43	0	278.396	1.941	1	2	4	O=C(NCC(C1CCC1)C1CCC1)C(=O)N1CCCC1
342085247	ZINC000625353854	ref	6.36	-4.01	0	278.396	1.941	1	2	2	CC1CCN(C(=O)C(=O)NC[C@@H]2CCCC23CC3)CC1
290623311	ZINC000340173207	ref	7.13	-53.46	-1	291.355	0.214	0	4	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N=c3ncn(C)[n-]3)C2)C1
290623312	ZINC000340173207	mid	7.29	-24.45	0	291.355	0.214	1	4	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N=c3ncn(C)[nH]3)C2)C1
214179143	ZINC000278477177	mid	7.16	-9.59	0	314.364	2.577	1	4	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)[C@@H]1CCCN1C1CC1
299072493	ZINC000358088466	low	6.55	-188.38	3	318.469	1.417	3	3	6	CC[N@H+]1C[C@H](C)[C@@H]([NH2+]C[C@@H]2CCCN2c2cc(NC)[nH+]cn2)C1
342085248	ZINC000625353296	ref	4.69	-5.31	0	296.411	1.71	1	3	4	CC[C@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CCCOC1
178295966	ZINC000179585230	high	3.82	-7.09	0	247.338	3.081	2	3	4	Cc1cc2cc([C@H](C)NC[C@@H](C)O)oc2cc1C
178295969	ZINC000032099299	ref	5.74	-5.93	0	206.676	3.087	1	2	0	Cc1cc2cc(Cl)cc(C)c2nc1N
214179114	ZINC000053361810	ref	2.51	-13.68	0	340.295	2.203	0	9	5	COc1ccc(-c2noc(Cn3nc(-c4ccco4)oc3=O)n2)cc1
178295975	ZINC000000873815	ref	7.55	-51.68	-1	219.24	1.95	0	4	3	Cc1cc2cc(OCC(=O)[O-])ccc2n1C
398247480	ZINC000651455110	ref	7.87	-8.04	0	250.386	3.149	1	1	2	CC[C@@H]1C[C@@H](C)CN1C(=O)NC1CC2(CCC2)C1
398247483	ZINC000651455222	ref	8.5	-6.41	0	262.397	3.293	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]2CCC[C@@H]21
178295987	ZINC000336427588	ref	5.24	-11.15	0	243.31	3.15	3	1	2	Cc1cc2cc[nH]c2cc1NC(=O)NC1CCC1
365626559	ZINC000617394424	ref	3.71	-13.94	0	266.341	0.54	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCNC(=O)C2)CCO1
365626569	ZINC000617397109	ref	3.03	-8.0	0	281.4	0.261	0	4	3	CN1CCN(CC(=O)N2CCO[C@](C)(C3CC3)C2)CC1
365626583	ZINC000617397109	mid	5.4	-38.48	1	281.4	0.261	1	3	3	C[NH+]1CCN(CC(=O)N2CCO[C@](C)(C3CC3)C2)CC1
365626596	ZINC000617398576	ref	2.76	-12.12	0	289.335	0.822	1	4	3	C[C@]1(C2CC2)CN(C(=O)c2ccc(C(N)=O)cn2)CCO1
398247487	ZINC000651456288	ref	8.47	-7.62	0	250.386	3.149	1	1	3	C[C@@H](N(C)C(=O)NC1CC2(CCC2)C1)C1(C)CC1
178295999	ZINC000002572495	ref	11.41	-5.44	0	234.342	5.227	0	0	0	Cc1cc2cc3cc(C)c(C)cc3cc2cc1C
398247493	ZINC000651455792	ref	7.65	-8.6	0	289.329	3.444	1	3	2	C[C@@H]1C[C@@H](N[C@@H]2CCc3c(F)cc(F)cc32)c2nccn21
365626615	ZINC000617399033	ref	4.73	-9.59	0	268.357	0.929	1	3	3	CC(=O)NC(C)(C)C(=O)N1CCO[C@](C)(C2CC2)C1
178296010	ZINC000356251396	ref	5.59	-12.45	0	214.268	2.825	2	1	2	Cc1cc2cc(NC(=O)C3CC3)ccc2[nH]1
178296019	ZINC000330052149	ref	3.34	-12.2	0	243.31	3.007	3	2	2	Cc1cc2cc(N[C@H]3CCCNC3=O)ccc2[nH]1
178296025	ZINC000004938412	ref	8.43	-7.1	0	236.318	3.58	1	2	2	Cc1cc2cc(N)ccc2n1Cc1ccccc1
178296028	ZINC000336547613	ref	2.91	-11.78	0	247.298	1.932	3	2	3	Cc1cc2cc[nH]c2cc1NC(=O)N(C)CCO
178296033	ZINC000133113118	ref	5.7	-11.04	0	249.277	2.882	2	4	2	Cc1cc2cc(Nc3cnc(C#N)cn3)ccc2[nH]1
178296041	ZINC000000164057	ref	6.0	-16.69	0	220.663	2.086	0	4	0	Cc1cc2cc3n(c2nn1)N=C(Cl)CC3
342085249	ZINC000625353811	ref	6.18	-7.26	0	290.363	1.14	0	3	4	CN(Cc1ccccc1)C(=O)C(=O)N(C)CC1(C)COC1
365626627	ZINC000617398105	ref	3.86	-6.47	0	266.341	0.54	1	3	3	CNC(=O)C1(C(=O)N2CCO[C@](C)(C3CC3)C2)CC1
365626560	ZINC000172850369	ref	2.31	-10.71	0	254.305	1.748	2	3	4	CC(C)(C)C[C@H](O)CNC(=O)c1ccncc1F
365626574	ZINC000643088239	ref	2.58	-54.37	1	260.403	1.318	1	2	4	C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)CCC1CCCC1
365626579	ZINC000172853630	ref	5.15	-10.7	0	293.411	1.758	1	4	5	Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NC[C@@H]1CCCOC1
230741803	ZINC000425568150	ref	3.19	-12.52	0	318.417	2.043	3	3	8	C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](CCO)c1ccccc1
365626586	ZINC000313732694	ref	4.16	-48.75	1	299.415	1.238	4	3	6	CCCNC(=O)NC(=O)C[N@@H+]1CCCCC[C@H]1C[C@H](C)O
365626592	ZINC000313732694	mid	4.14	-49.03	1	299.415	1.238	4	3	6	CCCNC(=O)NC(=O)C[N@H+]1CCCCC[C@H]1C[C@H](C)O
365626595	ZINC000313732694	high	2.89	-18.11	0	299.415	1.238	3	4	6	CCCNC(=O)NC(=O)CN1CCCCC[C@H]1C[C@H](C)O
299072495	ZINC000459275805	ref	6.42	-8.91	0	306.397	2.859	2	2	6	CC(C)C[C@@H](CO)N(C)C(=O)NC1CCC(C(F)F)CC1
342085250	ZINC000625353556	ref	1.59	-9.51	0	254.252	1.201	2	2	5	CC(C)[C@@H](NC(=O)C[C@H](C)C(F)(F)F)C(N)=O
342085251	ZINC000625353111	ref	4.24	-6.61	0	270.373	1.178	1	3	6	CCCCN(C)C(=O)C(=O)NCC[C@H]1CCCOC1
342085252	ZINC000625353691	ref	1.89	-9.38	0	285.369	1.074	0	5	6	C=CC[C@@H]1CCN(S(=O)(=O)c2ccnn2COC)C1
342085253	ZINC000625353911	ref	3.9	-5.05	0	282.384	1.178	1	3	3	CC1(C)CCC[C@@H]1CCNC(=O)C(=O)N1CCOCC1
342085254	ZINC000625353564	ref	2.66	-8.62	0	294.326	1.003	2	3	4	CC(C)[C@@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(N)=O
342085255	ZINC000625353577	ref	3.18	-11.01	0	266.366	1.478	2	3	5	CC(C)[C@H](NC(=O)[C@@H]1C[C@H]1c1ccsc1)C(N)=O
342085256	ZINC000600313033	ref	7.69	-46.8	1	270.373	1.034	2	3	5	CC[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)C(=O)OC
230741817	ZINC000425570575	ref	6.38	-44.53	1	317.433	2.18	3	2	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C
230741819	ZINC000425570575	high	3.84	-9.44	0	317.433	2.18	2	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)N(C)C
365626601	ZINC000330572294	ref	5.7	-12.97	0	275.352	1.545	1	5	4	CCc1nn(CC2(O)CCCC2)c(=O)c(C#N)c1CC
365626610	ZINC000643088276	ref	2.28	-58.0	1	290.335	1.216	1	2	3	C[C@H]1[C@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(F)cc1F
342085257	ZINC000600313033	mid	7.6	-47.75	1	270.373	1.034	2	3	5	CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(=O)OC
342085258	ZINC000625353861	ref	5.73	-4.78	0	252.358	1.406	1	2	3	CC(C)N(C)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
259308959	ZINC000306302566	ref	5.38	-3.51	0	213.733	2.855	0	2	3	C#C[C@H](C)N(C)Cc1ccc(Cl)s1
365626614	ZINC000172847464	ref	5.17	-13.03	0	287.363	1.612	2	2	4	Cc1cccc2c(CC(=O)N[C@H](C)C(=O)N(C)C)c[nH]c12
214179117	ZINC000293503374	mid	2.49	-15.92	0	360.393	0.826	3	5	3	O=C(N[C@@H]1CCN(c2ccccc2F)C1)N1CC[C@@](O)(c2c[nH]nn2)C1
214179122	ZINC000293489413	ref	1.41	-16.84	0	365.43	0.806	4	5	8	CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@@H](CC)C(C)(C)O)cc1
214179127	ZINC000293489375	ref	2.56	-18.8	0	350.419	0.301	3	5	7	CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1cn(C)c(=O)cc1C
178295973	ZINC000237074953	ref	4.02	-54.19	1	360.277	1.451	2	3	4	CN(CC(=O)N[C@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)s1
214179133	ZINC000293499376	ref	9.59	-29.7	0	357.414	0.843	0	6	6	CN(C(=O)[C@H]1CCN(C(=O)COCc2nncn2C)C1)c1ccccc1
214179139	ZINC000293488900	ref	2.61	-14.76	0	373.409	0.984	2	5	2	CC1([C@@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)C2)OCCO1
342600114	ZINC000616998400	mid	6.72	-38.73	1	270.442	1.976	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCSC2)C1
214179148	ZINC000293503935	ref	3.14	-15.93	0	369.399	0.842	2	6	3	Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C
342600115	ZINC000590849279	ref	6.94	-53.5	-1	267.35	1.797	1	4	7	CSCCCNC(=O)c1cccc(CC(=O)[O-])c1
342600116	ZINC000590849479	ref	1.51	-11.04	0	292.335	1.546	3	4	5	C[C@@H](NC(=O)NC[C@@H](O)C1CC1)c1ccc2c(c1)OCO2
342600117	ZINC000616998322	ref	5.86	-37.54	1	283.46	1.953	3	1	6	CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
342600118	ZINC000616998322	mid	8.27	-81.6	2	283.46	1.953	3	1	6	CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
178295979	ZINC000237076374	ref	4.43	-51.5	1	353.488	1.964	2	3	6	C[NH2+]C[C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
214179156	ZINC000293490187	ref	5.5	-13.06	0	360.37	0.423	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1ccnn1-c1ccccc1C)OC
178295984	ZINC000237078632	ref	5.9	-53.08	1	354.248	1.389	2	2	5	C[NH2+]CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(Br)cc1
342600119	ZINC000616998322	high	5.82	-36.97	1	283.46	1.953	2	2	6	CCC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
365626561	ZINC000625044924	ref	7.24	-41.63	1	305.422	2.331	2	3	4	C[NH+]1CCC(CNC(=O)c2cccc(OC(C)(C)C)n2)CC1
365626571	ZINC000625047398	ref	4.61	-10.66	0	322.424	2.398	1	3	6	CCC(CC)C(=O)N1CCN(Cc2cc(CO)ccc2F)CC1
342600120	ZINC000616998322	high	5.86	-37.54	1	283.46	1.953	2	2	6	CCC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
365639602	ZINC000576605689	ref	6.77	-36.51	1	247.382	3.347	2	1	5	CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)Cc1cccc(O)c1
178295989	ZINC000237075923	ref	5.99	-50.13	-1	373.203	1.484	1	5	5	CN(CC(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1)C(=O)c1ccc(Br)o1
365626562	ZINC000122209038	mid	6.71	-47.68	1	271.426	2.078	1	2	7	C#CC[N@H+](CCCS(=O)(=O)C(C)C)C1CCCC1
342085259	ZINC000625353609	ref	3.09	-11.83	0	285.347	1.403	2	3	5	CC(C)[C@@H](NC(=O)Cc1cccc2cnccc12)C(N)=O
349533700	ZINC000621226458	ref	3.78	-9.69	0	270.76	2.151	2	3	7	COC[C@@H](C)CNC(=O)CNc1ccccc1Cl
365626565	ZINC000122209038	mid	4.71	-13.41	0	271.426	2.078	0	3	7	C#CCN(CCCS(=O)(=O)C(C)C)C1CCCC1
365626572	ZINC000122287115	ref	3.99	-12.5	0	290.747	2.45	1	3	5	CCC[C@@H](C#N)NS(=O)(=O)c1cc(F)ccc1Cl
342085260	ZINC000625353597	ref	6.14	-11.46	0	294.301	1.986	1	2	3	O=C(NC1CCC1)[C@@H]1CC(=O)N(c2ccc(F)c(F)c2)C1
365626581	ZINC000122287115	high	3.73	-38.37	-1	290.747	2.45	0	3	5	CCC[C@@H](C#N)[N-]S(=O)(=O)c1cc(F)ccc1Cl
230741814	ZINC000414360416	ref	6.7	-10.33	0	322.412	3.011	1	5	6	COc1ccccc1[C@H](NCc1cc(C)n(C)n1)c1ccccn1
365626588	ZINC000122263912	ref	2.26	-11.75	0	292.335	2.05	1	5	3	COC(=O)N1CCC(/N=C\c2cccc(OC)c2O)CC1
365626604	ZINC000122297093	ref	6.51	-19.12	0	296.374	2.218	0	4	3	CN(C(=O)c1ccccc1)[C@@H]1CCCN(c2cccnn2)C1
365626613	ZINC000122222849	ref	7.26	-31.04	1	254.337	2.247	1	4	6	C=CCN(Cc1ccccc1)Cc1nccc(N)n1
398247481	ZINC000649442232	ref	6.91	-7.28	0	230.311	2.584	0	3	4	COCCc1ccc(-c2cn(C)nc2C)cc1
342085261	ZINC000600312816	ref	3.62	-14.15	0	298.346	1.828	3	3	5	CCc1ccc2c(c1)[C@H](CCNC(=O)c1ccn[nH]1)C(=O)N2
365626622	ZINC000122222849	low	7.43	-32.17	1	254.337	2.247	2	3	6	C=CC[N@H+](Cc1ccccc1)Cc1nccc(N)n1
365626628	ZINC000122222849	low	7.43	-32.17	1	254.337	2.247	2	3	6	C=CC[N@@H+](Cc1ccccc1)Cc1nccc(N)n1
398247485	ZINC000649442288	ref	5.52	-6.62	0	215.252	3.13	0	3	4	c1cnc(OCC2CC2)c(-c2ccoc2)c1
365626630	ZINC000122193578	ref	8.16	-42.63	1	292.423	2.092	2	2	10	COCCCCC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C
365626636	ZINC000122193578	high	5.37	-9.03	0	292.423	2.092	1	3	10	COCCCCC(=O)NC[C@@H](Cc1ccccc1)N(C)C
342085262	ZINC000625353608	ref	3.06	-12.58	0	285.347	1.403	2	3	5	CC(C)[C@H](NC(=O)Cc1cccc2cnccc12)C(N)=O
342085263	ZINC000625353926	ref	5.41	-4.39	0	266.385	1.963	1	2	4	C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@H](C)C1
365626642	ZINC000122326160	ref	6.3	-39.91	1	284.444	2.287	2	2	8	COCC[N@H+](C)CCNC(=O)C[C@H]1CCCCC1(C)C
365626650	ZINC000122326160	mid	6.32	-40.27	1	284.444	2.287	2	2	8	COCC[N@@H+](C)CCNC(=O)C[C@H]1CCCCC1(C)C
282121021	ZINC000423035139	ref	6.95	-110.07	2	270.417	1.943	2	2	6	CCC(CC)(C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)C(=O)OC
282121023	ZINC000423035139	high	5.65	-39.53	1	270.417	1.943	2	3	6	CCC(CC)(C[NH2+][C@@H]1CCNCC[C@@H]1C)C(=O)OC
365626578	ZINC000274328613	ref	5.48	-58.38	1	266.37	1.614	3	3	7	CCC[N@H+](CCc1cccs1)Cc1nc(=O)[nH][nH]1
178295991	ZINC000237081315	ref	3.4	-52.42	1	355.504	1.707	2	3	9	CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1
365626584	ZINC000274328613	mid	5.48	-59.2	1	266.37	1.614	3	3	7	CCC[N@@H+](CCc1cccs1)Cc1nc(=O)[nH][nH]1
365626591	ZINC000274328613	mid	3.04	-17.04	0	266.37	1.614	2	4	7	CCCN(CCc1cccs1)Cc1nc(=O)[nH][nH]1
178295995	ZINC000237081315	high	3.11	-11.36	0	355.504	1.707	2	4	9	CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N(CC)CC)cc1
214179120	ZINC000053367473	ref	4.24	-13.68	0	345.896	2.256	2	4	10	CCCNC(=O)CN(CCC)CC(=O)NCc1ccc(Cl)s1
178295998	ZINC000237074807	ref	6.6	-92.46	2	362.522	1.895	3	4	7	Cc1c(C(=O)NCCC[N@@H+](C)C2CCCCC2)nnn1C1CC[NH2+]CC1
178296001	ZINC000237074807	mid	6.6	-92.53	2	362.522	1.895	3	4	7	Cc1c(C(=O)NCCC[N@H+](C)C2CCCCC2)nnn1C1CC[NH2+]CC1
178296003	ZINC000237080879	ref	6.08	-58.35	1	350.85	1.941	2	2	4	C[NH2+]CC1CCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)CC1
365639610	ZINC000175983062	ref	5.89	-8.61	0	225.332	2.204	0	2	3	CC1(C)CCCN1C(=O)CC[C@H]1CCOC1
178296007	ZINC000237081894	ref	7.79	-51.54	1	351.52	1.775	1	5	5	CCc1nsc(N2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)n1
178296013	ZINC000237073662	ref	6.29	-51.78	1	358.442	1.988	3	3	6	CC[NH2+]Cc1ccccc1NC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O
178296017	ZINC000237071647	ref	3.12	-49.19	1	359.879	1.204	2	3	7	CN(CC(=O)N[C@@](C)(C[NH3+])C1CC1)S(=O)(=O)c1ccc(Cl)cc1
178296020	ZINC000237081601	ref	4.1	-53.92	1	354.472	1.315	1	4	6	C[NH2+]C1CCN(C(=O)[C@H](C)CS(=O)(=O)c2ccc(OC)cc2)CC1
178296024	ZINC000237079939	ref	7.88	-45.16	1	355.533	1.234	1	6	4	CCc1nsc(N2CCCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)n1
178296027	ZINC000237079939	high	6.65	-10.66	0	355.533	1.234	1	7	4	CCc1nsc(N2CCCN(C(=O)C[C@@H]3CSCCN3)CC2)n1
178296031	ZINC000237074443	ref	4.77	-55.48	1	371.528	1.604	1	4	5	C[NH2+]CC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCCC2)CC1
214179124	ZINC000053367473	low	6.17	-42.03	1	345.896	2.256	3	3	10	CCCNC(=O)C[N@H+](CCC)CC(=O)NCc1ccc(Cl)s1
214179128	ZINC000053367473	low	6.16	-42.52	1	345.896	2.256	3	3	10	CCCNC(=O)C[N@@H+](CCC)CC(=O)NCc1ccc(Cl)s1
342600121	ZINC000590849480	ref	1.81	-10.77	0	292.335	1.546	3	4	5	C[C@H](NC(=O)NC[C@H](O)C1CC1)c1ccc2c(c1)OCO2
342600122	ZINC000616998049	ref	5.3	-41.06	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600123	ZINC000616998049	mid	5.24	-40.66	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214179131	ZINC000053372373	ref	7.29	-52.69	1	345.443	1.364	2	3	7	CC(C)C[NH+]1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1
342600124	ZINC000616998402	ref	6.7	-39.42	1	270.442	1.976	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCSC2)C1
342600125	ZINC000616998402	mid	6.75	-39.73	1	270.442	1.976	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCSC2)C1
342600126	ZINC000616998037	ref	2.19	-40.03	1	251.33	1.525	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnco2)C1
342600127	ZINC000616998037	mid	2.14	-39.59	1	251.33	1.525	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cnco2)C1
197600079	ZINC000162921415	ref	7.58	-11.31	0	321.442	2.822	0	4	5	CN(C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCSC1
197600081	ZINC000162929447	ref	6.73	-11.62	0	315.797	2.826	0	3	1	O=C(c1cccc(Cl)c1F)N1CCS[C@@H]2COCC[C@H]21
197600084	ZINC000162925489	ref	5.32	-16.94	0	309.435	1.978	2	3	4	CCNC(=O)C(C)(C)CNC(=O)N1CCc2sccc2C1
197600086	ZINC000162921532	ref	3.63	-11.71	0	303.358	1.702	1	4	3	COc1ccc2c(c1)C=C(C(=O)N1CCC[C@H](CO)C1)CO2
214179136	ZINC000053372373	high	5.32	-16.9	0	345.443	1.364	1	4	7	CC(C)CN1CCN(C(=O)/C=C/c2ccc(OCC(N)=O)cc2)CC1
214179142	ZINC000053356343	ref	8.56	-13.51	0	342.395	2.553	0	4	4	CC(=O)N1CCCN(C(=O)c2ccc(COc3ccccc3)o2)CC1
214179149	ZINC000053356907	ref	10.76	-14.93	0	339.483	4.977	1	2	5	O=C(CCCC1CCCCC1)N1CCC[C@@H]1c1nc2ccccc2[nH]1
214179152	ZINC000053373167	ref	6.19	-41.08	1	344.459	1.73	3	2	5	NC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1
214179155	ZINC000053373167	high	3.51	-11.06	0	344.459	1.73	2	3	5	NC(=O)N1CCC[C@@H](C(=O)NC[C@H](c2ccccc2)N2CCCC2)C1
214179159	ZINC000053366372	ref	6.54	-13.83	0	333.476	2.789	2	3	9	CCCNC(=O)CN(CCC)CC(=O)Nc1c(C)cc(C)cc1C
214179164	ZINC000053366372	low	8.49	-42.8	1	333.476	2.789	3	2	9	CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1c(C)cc(C)cc1C
259308961	ZINC000306302566	mid	7.86	-35.46	1	213.733	2.855	1	1	3	C#C[C@H](C)[N@H+](C)Cc1ccc(Cl)s1
342600128	ZINC000590847047	ref	4.44	-10.94	0	293.342	1.592	2	2	4	CN(C)C(=O)CNC(=O)NC1(c2ccc(F)cc2)CCC1
343994623	ZINC000599272417	mid	4.17	-47.38	1	296.411	1.557	2	4	4	C[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
342085264	ZINC000625353798	ref	5.53	-5.37	0	252.358	1.716	1	2	4	CC(C)N(C)C(=O)C(=O)NCC[C@H]1CC=CCC1
365626580	ZINC000625047398	low	6.84	-45.06	1	322.424	2.398	2	2	6	CCC(CC)C(=O)N1CC[NH+](Cc2cc(CO)ccc2F)CC1
342085265	ZINC000625353952	ref	6.05	-4.6	0	264.369	1.86	1	2	3	CN(C(=O)C(=O)NCC1CC=CC1)C1CCCCC1
398247489	ZINC000649442277	ref	7.62	-7.6	0	244.338	3.573	0	3	2	Cc1nn(C)cc1-c1ccc(OC(C)(C)C)cc1
342085266	ZINC000625353557	ref	1.55	-9.59	0	254.252	1.201	2	2	5	CC(C)[C@H](NC(=O)C[C@@H](C)C(F)(F)F)C(N)=O
342085267	ZINC000625353618	ref	5.08	-11.94	0	259.371	1.393	0	3	6	C=CC[C@@H]1CCN(S(=O)(=O)C2(COC)CC2)C1
365626594	ZINC000625045559	ref	5.87	-11.51	0	309.366	2.009	0	4	2	Cc1ncc(S(=O)(=O)N2CCCc3c(F)cccc32)n1C
365626602	ZINC000625046315	ref	6.75	-37.38	1	322.424	2.31	1	3	6	CO[C@H](CN1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1
342085268	ZINC000625353659	ref	3.5	-10.49	0	259.371	1.392	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@H]2CCO[C@H]2C)C1
178296009	ZINC000082790622	ref	1.78	-52.46	1	251.71	1.6	1	2	3	C[C@@H](C[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1
178296011	ZINC000082790622	high	1.43	-8.84	0	251.71	1.6	1	3	3	C[C@@H](CN)S(=O)(=O)c1ccc(F)c(Cl)c1
342085269	ZINC000625353598	ref	6.22	-15.14	0	294.301	1.986	1	2	3	O=C(NC1CCC1)[C@H]1CC(=O)N(c2ccc(F)c(F)c2)C1
230741837	ZINC000450472657	ref	6.27	-11.88	0	300.358	1.619	1	4	3	N#Cc1cccc([C@H]2CN(C(=O)[C@H](O)C3CCC3)CCO2)c1
342085270	ZINC000625353607	ref	4.22	-11.38	0	292.379	1.526	2	3	7	Cc1ccccc1CO[C@H](C)C(=O)N[C@@H](C(N)=O)C(C)C
342085271	ZINC000625353742	ref	0.96	-30.95	1	271.401	1.278	4	3	7	C[C@@H](CO)[N@H+](C[C@@H](O)CC1(O)CCC1)C1CCCC1
282121022	ZINC000365594858	ref	7.53	-49.96	1	266.385	1.212	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@@H]32)C1
342085272	ZINC000625353742	mid	1.57	-28.52	1	271.401	1.278	4	3	7	C[C@@H](CO)[N@@H+](C[C@@H](O)CC1(O)CCC1)C1CCCC1
282121031	ZINC000339512072	ref	3.98	-43.96	1	323.359	0.66	1	3	4	C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2COCCN2CC(F)(F)F)C1
136228717	ZINC000061759749	ref	8.6	-45.31	1	216.328	3.201	1	1	6	CC[C@@H](C)[N@H+](CCC#N)Cc1ccccc1
342085273	ZINC000625353518	ref	4.8	-17.26	0	261.247	1.879	1	3	3	Cc1cn(CC(=O)NC2CCC2)nc1C(F)(F)F
214179135	ZINC000337610658	ref	1.72	-10.66	0	259.346	0.705	2	4	7	CC[C@H](C)OCC(=O)NC[C@H](O)C1CCOCC1
342085274	ZINC000625353583	ref	4.07	-5.87	0	282.384	1.178	1	3	3	C[C@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCCOC2)C1
365626582	ZINC000336545630	ref	5.71	-14.81	0	285.796	2.322	0	2	1	C[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@H](C)S1=O
282121024	ZINC000449151251	ref	7.01	-44.33	1	284.469	2.411	2	2	4	CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSC[C@@H]2C)C1
342085275	ZINC000625353912	ref	3.89	-5.07	0	282.384	1.178	1	3	3	CC1(C)CCC[C@H]1CCNC(=O)C(=O)N1CCOCC1
342085276	ZINC000625353571	ref	3.56	-9.56	0	292.379	1.644	2	3	8	CCOc1cccc(CCC(=O)N[C@H](C(N)=O)C(C)C)c1
349536040	ZINC000258965209	mid	8.54	-39.02	0	249.31	1.992	1	3	6	COc1cccc(C[N@@H+](C)CC2(C(=O)[O-])CC2)c1
365626593	ZINC000336545859	ref	4.69	-9.67	0	278.352	2.181	1	3	3	CO[C@H]1CN(C(=O)Nc2cc(C)cc(C)c2)C[C@@H]1OC
190597645	ZINC000270095941	ref	4.72	-16.96	0	279.34	0.974	2	4	6	COC(=O)CCCCNC(=O)[C@H]1CCc2n[nH]cc2C1
282121032	ZINC000449150547	ref	6.15	-54.46	-1	273.373	2.055	1	4	8	COC[C@@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
365626603	ZINC000336546470	ref	3.85	-6.49	0	265.313	2.334	2	3	3	Cc1cscc1CNC(=O)Nc1ccncc1F
365626619	ZINC000336545678	ref	6.54	-9.47	0	283.318	2.094	1	2	3	C[C@H]1CN(C(=O)[C@@H](O)Cc2ccccc2)CCC1(F)F
398247490	ZINC000356352265	high	5.33	-5.88	0	237.347	1.952	1	4	6	CCC[C@]1(NCc2cncn2CC)CCOC1
214179137	ZINC000337610629	ref	3.81	-14.66	0	259.302	-0.347	1	5	8	CCN(CCOCCO)C(=O)[C@H]1C[C@H]1C(=O)OC
342085277	ZINC000033013623	ref	3.23	-17.4	0	276.336	1.351	2	3	7	COc1ccc(/C=C/C(=O)NCCCNC(C)=O)cc1
230741839	ZINC000425569834	ref	7.57	-10.61	0	317.433	2.355	1	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCN(C)c1ccccc1
342085278	ZINC000625353838	ref	4.51	-6.35	0	272.389	1.254	1	3	7	CCCCN(C)C(=O)C(=O)N(C)CC(O)(CC)CC
342085279	ZINC000625353625	ref	5.3	-14.52	0	283.397	1.798	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2cn(CC)c(C)n2)C1
342085280	ZINC000625353725	ref	3.83	-10.17	0	261.387	1.641	0	3	8	C=CC[C@@H]1CCN(S(=O)(=O)CCCCOC)C1
230741847	ZINC000425575503	ref	4.73	-9.2	0	318.402	2.445	1	5	7	C=CCN(Cc1cccs1)C(=O)NCc1nccc(OC)n1
342085281	ZINC000625353558	ref	1.55	-9.81	0	254.252	1.201	2	2	5	CC(C)[C@H](NC(=O)C[C@H](C)C(F)(F)F)C(N)=O
342085282	ZINC000625353910	ref	2.42	-9.21	0	293.367	1.499	2	4	5	CC(C)[C@H](NC(=O)c1cccc(OC(C)(C)C)n1)C(N)=O
342085283	ZINC000625353566	ref	2.66	-8.55	0	294.326	1.003	2	3	4	CC(C)[C@@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)C(N)=O
342085284	ZINC000600313031	ref	7.5	-46.88	1	270.373	1.034	2	3	5	CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(=O)OC
342085285	ZINC000600313031	mid	7.68	-46.91	1	270.373	1.034	2	3	5	CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(=O)OC
342085286	ZINC000625353565	ref	2.63	-9.2	0	294.326	1.003	2	3	4	CC(C)[C@H](NC(=O)[C@H]1COc2cc(F)ccc2C1)C(N)=O
199273255	ZINC000181264397	ref	4.68	-10.44	0	313.357	2.689	1	4	3	COc1cccc2c1CCN(C(=O)Nc1cccnc1OC)C2
199273257	ZINC000181260336	ref	6.7	-16.07	0	312.369	1.439	1	3	6	C#CCOc1ccc(C(=O)NC[C@@H]2CC(=O)N(C3CC3)C2)cc1
199273259	ZINC000181265580	ref	8.97	-14.64	0	314.393	1.473	1	5	3	Cc1ccccc1CN1CCN(C(=O)Nc2ncnn2C)CC1
199273260	ZINC000181265580	mid	11.42	-57.71	1	314.393	1.473	2	4	3	Cc1ccccc1C[NH+]1CCN(C(=O)Nc2ncnn2C)CC1
282121025	ZINC000248963094	low	0.38	-34.12	1	319.405	1.532	3	5	8	Cc1ccccc1Cc1nnc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)o1
282121030	ZINC000248963094	low	0.02	-35.85	1	319.405	1.532	3	5	8	Cc1ccccc1Cc1nnc(C[N@H+](C[C@H](C)O)[C@H](C)CO)o1
282121034	ZINC000248962047	ref	6.91	-46.74	1	301.456	1.542	3	3	4	CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H](C)C1
282121040	ZINC000248962047	mid	6.97	-46.45	1	301.456	1.542	3	3	4	CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCSC[C@@H](C)C1
214725058	ZINC000299566623	ref	1.8	-14.93	0	366.483	0.794	1	5	5	C[C@H](CC(=O)N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1ccccc1
282121045	ZINC000248962047	high	5.09	-19.6	0	301.456	1.542	2	4	4	CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCSC[C@@H](C)C1
282121050	ZINC000248960962	ref	3.19	-7.82	0	304.456	1.899	1	3	3	C[C@@H]1CCC[C@H](NS(=O)(=O)N2C[C@@H](C)OC[C@H]2C)CC1
199273273	ZINC000181259609	ref	7.36	-15.65	0	316.426	2.003	1	3	4	O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)[C@H]1CSc2ccccc21
342085287	ZINC000625353300	ref	4.77	-5.52	0	296.411	1.71	1	3	4	CC[C@@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CCCOC1
199273275	ZINC000181261654	ref	3.06	-10.34	0	308.378	2.534	3	4	5	CC[C@@H](CO)NC(=O)c1ccccc1NC(=O)OC(C)(C)C
199273278	ZINC000181262325	ref	2.81	-9.03	0	321.121	2.326	2	2	1	O=C(Nc1cc(F)c(Br)cc1F)N1CC[C@@H](O)C1
199273280	ZINC000181265064	ref	7.13	-110.73	2	322.449	2.545	2	3	8	COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1
199273283	ZINC000181265064	mid	6.62	-107.95	2	322.449	2.545	2	3	8	COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1
199273284	ZINC000181265064	mid	4.36	-44.78	1	322.449	2.545	1	4	8	COc1cc(OC)cc(OCCC[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c1
199273287	ZINC000181263815	ref	10.83	-35.37	0	310.397	2.816	0	2	1	CC(C)(C)c1ccc2c(c1)CN(C(=O)c1cccc[n+]1[O-])CC2
282121056	ZINC000248960894	ref	0.44	-12.07	0	308.378	1.345	2	5	6	COc1ccc(OC)c(NC(=O)CN2CC[C@H](C)[C@@H]2CO)c1
365626598	ZINC000354690421	ref	4.54	-18.48	0	285.282	1.596	1	4	2	O=C(c1c[nH]c2cc(F)ccc12)N1CC(n2ccnn2)C1
365626606	ZINC000354691035	ref	1.19	-9.82	0	284.322	1.536	2	3	8	CC[C@H](O)CCCNC(=O)[C@@H](C)N(C)CC(F)(F)F
365626611	ZINC000367179520	ref	5.58	-49.0	1	290.388	1.492	1	3	3	O=C(/C=C/Sc1ccccc1)N1CCO[C@H]2C[NH2+]C[C@H]21
342085288	ZINC000625353400	ref	6.66	-19.22	0	287.294	1.951	1	3	2	O=C(c1cc(=O)[nH]cn1)N1CC[C@@H](c2ccccc2F)C1
230741845	ZINC000414361633	ref	8.45	-10.79	0	303.406	3.141	1	3	6	CC[C@@H](C)[C@@H]1NC(=O)N(c2ccc(CCC(C)C)cn2)C1=O
178296032	ZINC000082790636	ref	3.17	-53.52	1	282.192	2.362	1	2	4	C[C@H](C[NH3+])CS(=O)(=O)c1c(Cl)cccc1Cl
342085289	ZINC000625353400	high	5.51	-44.64	-1	287.294	1.951	0	3	2	O=C(c1cc(=O)[n-]cn1)N1CC[C@@H](c2ccccc2F)C1
342085290	ZINC000625353581	ref	4.15	-5.99	0	282.384	1.178	1	3	3	C[C@@H]1CCCN(C(=O)C(=O)NCC[C@@H]2CCCOC2)C1
365626621	ZINC000354689128	ref	2.56	-13.35	0	261.272	1.141	1	4	6	COCCNC(=O)c1c(C)nn(CC(F)F)c1C
342085291	ZINC000625353730	ref	3.83	-10.36	0	261.387	1.641	0	3	8	C=CC[C@H]1CCN(S(=O)(=O)CCCCOC)C1
365626629	ZINC000354689658	ref	1.14	-8.88	0	264.391	1.168	2	3	7	CC(C)NS(=O)(=O)NCCC[C@@H]1CCCCO1
342085292	ZINC000600313030	ref	7.51	-46.65	1	270.373	1.034	2	3	5	CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(=O)OC
323004237	ZINC000561566514	ref	3.53	-14.65	0	243.303	0.429	0	4	4	C[C@@H]1CN(C(=O)COC[C@H]2CCCO2)CCO1
342085293	ZINC000600313030	mid	7.69	-46.69	1	270.373	1.034	2	3	5	CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(=O)OC
342085294	ZINC000625353580	ref	4.15	-5.99	0	282.384	1.178	1	3	3	C[C@@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCCOC2)C1
342085295	ZINC000625353539	ref	4.94	-4.65	0	294.395	1.178	1	3	4	O=C(NCC(C1CCC1)C1CCC1)C(=O)N1CCOCC1
342085296	ZINC000625353213	ref	2.46	-13.42	0	297.38	1.252	0	5	4	C=CC[C@H]1CCN(S(=O)(=O)c2cnn3c2OCCC3)C1
342085297	ZINC000625353846	ref	5.41	-4.75	0	252.358	1.406	1	2	3	CC(C)N(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
365626637	ZINC000354689302	ref	4.88	-10.21	0	257.33	1.017	2	4	7	C/C=C\C[C@H](NC(=O)[C@H](O)C(C)C)C(=O)OCC
343995045	ZINC000625565443	ref	4.04	-35.06	1	241.375	1.63	3	2	6	C[N@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CC1(C)C
342085298	ZINC000625353728	ref	3.83	-4.67	0	282.384	1.341	1	3	4	C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H](C)O[C@H](C)C1
365626640	ZINC000354691008	ref	2.65	-9.17	0	279.384	1.963	3	3	7	C/C=C\C[C@H](CO)NC(=O)C[C@H](C)c1c(C)n[nH]c1C
365626647	ZINC000354690945	ref	2.98	-18.53	0	269.366	1.521	2	3	5	CC(C)[C@@H](O)C(=O)Nc1ccccc1C[S@@](C)=O
214179141	ZINC000337606220	ref	6.73	-11.54	0	278.4	2.494	2	3	5	CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCCn2ccnc21
342600129	ZINC000616998405	ref	7.88	-80.15	2	281.444	1.707	3	1	6	CC[N@H+](CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1)C1CC1
342600130	ZINC000616998405	mid	5.53	-37.47	1	281.444	1.707	3	1	6	CC[N@@H+](CC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1)C1CC1
342600131	ZINC000616998405	mid	5.54	-37.97	1	281.444	1.707	3	1	6	CC[NH+](CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1
295666670	ZINC000354051243	ref	7.79	-37.15	1	339.505	1.475	2	3	3	O=C(NC[C@@H]1CCCS1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1
342600132	ZINC000616998405	mid	7.88	-80.15	2	281.444	1.707	3	1	6	CC[NH+](CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1
342600133	ZINC000616998405	mid	5.53	-37.47	1	281.444	1.707	2	2	6	CCN(CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1
342600134	ZINC000616998405	mid	5.54	-37.97	1	281.444	1.707	2	2	6	CCN(CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CC1
398247492	ZINC000649442235	ref	5.74	-6.88	0	230.267	2.834	0	4	4	Cc1oncc1-c1cccnc1OCC1CC1
197600099	ZINC000290115001	ref	6.39	-9.23	0	296.248	3.283	0	4	3	O=C1C[C@@H](c2nc(CCC(F)(F)F)no2)c2ccccc21
342600135	ZINC000590849482	ref	1.81	-10.85	0	292.335	1.546	3	4	5	C[C@@H](NC(=O)NC[C@H](O)C1CC1)c1ccc2c(c1)OCO2
342600136	ZINC000590848268	ref	7.52	-14.28	0	284.323	1.885	1	5	4	C[C@H](C#N)CN(C(=O)Nc1ccc2ncnn2c1)C1CC1
342600137	ZINC000590848742	ref	7.14	-56.16	-1	267.35	1.795	1	4	6	CSC[C@@H](C)NC(=O)c1cccc(CC(=O)[O-])c1
342600138	ZINC000590848267	ref	7.94	-14.83	0	284.323	1.885	1	5	4	C[C@@H](C#N)CN(C(=O)Nc1ccc2ncnn2c1)C1CC1
342600139	ZINC000616998403	ref	6.79	-40.18	1	270.442	1.976	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCSC2)C1
342600140	ZINC000616998403	mid	6.77	-39.68	1	270.442	1.976	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCSC2)C1
342600141	ZINC000590847302	ref	5.47	-40.92	1	297.443	1.975	3	2	5	CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2(C)CCCC2)C1
342600142	ZINC000590847302	mid	3.44	-7.01	0	297.443	1.975	3	2	5	CC(C)C[N@H+]1CCO[C@@H](CNC(=O)NC2(C)CCCC2)C1
342600143	ZINC000590847302	mid	3.44	-7.01	0	297.443	1.975	2	3	5	CC(C)CN1CCO[C@@H](CNC(=O)NC2(C)CCCC2)C1
197600115	ZINC000290116749	ref	7.29	-19.6	0	297.358	2.784	0	4	5	CC#CCCCc1nc(-c2cccc(C(=O)N(C)C)c2)no1
214179144	ZINC000337606220	low	7.36	-34.38	1	278.4	2.494	2	2	5	CC(C)C[C@H](C)NC(=O)NC[C@@H]1CCCn2cc[nH+]c21
214179146	ZINC000337607304	ref	4.79	-13.98	0	287.306	2.095	1	3	8	CCN(CCOCCO)C(=O)c1ccc(C(F)F)cc1
342600144	ZINC000590849263	ref	-0.41	-16.25	0	295.364	1.396	3	4	6	CSCCNC(=O)Nc1ccc(O[C@@H]2CC(=O)N2)cc1
398247494	ZINC000381285731	ref	1.44	-101.98	2	211.309	-0.161	3	1	5	[NH3+]C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)C1CC1
342600145	ZINC000616998506	ref	5.85	-37.73	1	282.428	1.774	3	2	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1
214179145	ZINC000278477177	low	9.86	-76.74	2	314.364	2.577	2	2	4	O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@@H+]1C1CC1
214179147	ZINC000278477177	low	10.51	-75.74	2	314.364	2.577	2	2	4	O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCC[N@H+]1C1CC1
342600146	ZINC000616998506	mid	5.79	-37.26	1	282.428	1.774	3	2	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@@](C)(O)C2CC2)C1
214179151	ZINC000278476404	ref	10.37	-14.62	0	311.385	3.252	1	4	3	COc1ccccc1C(=O)Nc1ncc2c(n1)CCC(C)(C)C2
398247501	ZINC000381286884	ref	3.71	-5.35	0	226.32	2.134	1	3	7	CC[C@H](C)[C@H](C[NH2+]Cc1cc(C)no1)OC
342600147	ZINC000590847103	ref	0.73	-7.68	0	258.705	1.503	3	3	5	O=C(NCc1ccc(Cl)o1)NC[C@@H](O)C1CC1
342600148	ZINC000616998404	ref	7.82	-80.12	2	281.444	1.707	3	1	6	CC[N@H+](CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1)C1CC1
222609372	ZINC000125791442	ref	4.33	-13.35	0	344.408	2.265	1	4	4	CCCOc1cc(F)ccc1NC(=O)N1CCS(=O)(=O)[C@H](C)C1
342600149	ZINC000616998404	mid	5.53	-38.31	1	281.444	1.707	3	1	6	CC[N@@H+](CC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1)C1CC1
342600150	ZINC000616998404	mid	5.49	-37.88	1	281.444	1.707	3	1	6	CC[NH+](CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1
342600151	ZINC000616998404	mid	7.82	-80.12	2	281.444	1.707	3	1	6	CC[NH+](CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1
342600152	ZINC000616998404	mid	5.53	-38.31	1	281.444	1.707	2	2	6	CCN(CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C1CC1
342600153	ZINC000616998404	mid	5.49	-37.88	1	281.444	1.707	2	2	6	CCN(CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C1CC1
349533702	ZINC000621487957	ref	8.53	-10.35	0	272.392	3.158	1	1	3	C[C@@H](NC(=O)N1CC(C)(c2ccccc2)C1)C1CCC1
214179154	ZINC000278476955	ref	4.87	-12.11	0	313.423	1.503	0	5	2	CC(C)n1ccc(C(=O)N2CCC(C)(C)S(=O)(=O)CC2)n1
349533706	ZINC000621486860	ref	9.13	-9.67	0	284.403	3.47	1	1	4	CC1(c2ccccc2)CN(C(=O)NCCC2=CCCC2)C1
398247505	ZINC000381286884	mid	3.71	-5.35	0	226.32	2.134	1	4	7	CC[C@H](C)[C@H](CNCc1cc(C)no1)OC
229487863	ZINC000419205234	ref	4.2	-10.45	0	308.426	2.116	2	5	6	Cc1c(N[C@@H](C)C(=O)NCC(C)C)cnn1C1CCOCC1
230235226	ZINC000334048203	low	0.77	-44.82	1	286.332	-1.333	4	4	5	CNC(=O)N[C@H]1CC[N@H+]([C@H](C)C(=O)NCC(=O)OC)C1
282121026	ZINC000171087178	ref	8.12	-53.63	1	332.452	1.171	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[NH+](C3CCCC3)CC1)CC2
282121033	ZINC000171087178	high	5.75	-15.15	0	332.452	1.171	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CCCC3)CC1)CC2
282121039	ZINC000174638822	ref	7.5	-46.07	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2
365626600	ZINC000274329932	ref	4.37	-15.13	0	294.33	1.601	2	3	3	CC(=O)NCC1CCN(C(=O)Nc2cccc(F)n2)CC1
365626608	ZINC000274330302	ref	4.77	-12.45	0	290.363	1.177	1	3	4	CNC(=O)C1CN(C(=O)C(C)(C)c2ccccc2OC)C1
178296036	ZINC000237071335	ref	0.86	-59.77	1	362.517	1.522	2	4	8	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@](C)(C[NH3+])CC(C)C)c1
136228718	ZINC000061759749	mid	8.96	-45.84	1	216.328	3.201	1	1	6	CC[C@@H](C)[N@@H+](CCC#N)Cc1ccccc1
365626616	ZINC000263555062	ref	5.7	-50.06	-1	289.397	1.517	1	5	9	O=C([O-])CSCCNC(=O)CCCC1CCOCC1
365626624	ZINC000274330252	ref	3.28	-10.8	0	262.313	1.112	2	4	4	O=C(CNC(=O)C1CCCCC1)Nc1cncnc1
365626633	ZINC000274331841	ref	5.82	-38.66	1	255.387	1.546	1	4	7	CC[C@H](COC)[NH2+]CCc1cn2c(n1)SCC2
178296039	ZINC000237071335	high	1.56	-15.92	0	362.517	1.522	2	5	8	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@](C)(CN)CC(C)C)c1
178296044	ZINC000237081921	ref	7.76	-49.67	1	351.52	1.775	1	5	5	CCc1nsc(N2CCN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)n1
178296047	ZINC000237081513	ref	2.43	-63.01	1	368.499	1.888	2	4	7	COCCS(=O)(=O)c1ccc(C(=O)NCC2([NH3+])CCCCCC2)cc1
365626643	ZINC000637721439	ref	7.08	-13.29	0	291.351	1.073	0	4	6	CCCCN(C(=O)CN1CCOCC1=O)c1ccccn1
178296053	ZINC000237080561	ref	7.65	-48.86	1	359.499	1.882	1	5	5	CCc1nsc(N2CCCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)n1
178296056	ZINC000237080561	high	7.28	-8.34	0	359.499	1.882	1	6	5	CCc1nsc(N2CCCN(C(=O)[C@H](CN)c3ccccc3)CC2)n1
178296059	ZINC000237076870	ref	4.52	-47.6	1	374.304	1.839	2	3	4	C[NH2+]C1CCN(C(=O)[C@@H](C)NC(=O)c2ccc(Br)s2)CC1
178296062	ZINC000237081157	ref	5.64	-49.75	1	370.497	1.933	2	3	3	CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1
178296066	ZINC000237081157	mid	7.99	-94.62	2	370.497	1.933	3	2	3	C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1
349533703	ZINC000093228511	ref	1.83	-47.39	-1	299.757	0.781	1	6	7	O=C([O-])COCCNS(=O)(=O)c1ccc(Cl)s1
365626648	ZINC000637720901	ref	5.78	-12.05	0	296.411	1.709	1	3	4	CC[C@@H]1OCCC[C@H]1C(=O)N1CCCC[C@H]1CNC(C)=O
197600110	ZINC000162924613	ref	7.76	-7.18	0	316.43	2.78	0	6	2	c1csc([C@@H]2CN(c3ncnc4c3CCCCC4)CCO2)n1
197600112	ZINC000162927813	ref	3.37	-18.65	0	313.361	1.292	2	6	5	Cc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)nc(-c2ccncc2)n1
214179153	ZINC000337608851	ref	1.66	-20.13	0	292.357	-0.232	1	5	5	COC(=O)CCCNC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
197600114	ZINC000162927813	low	3.71	-40.46	1	313.361	1.292	2	5	5	Cc1cc(NC[C@H]2CC[C@H](C(N)=O)O2)nc(-c2ccncc2)[nH+]1
197600117	ZINC000162924246	ref	6.27	-8.93	0	318.417	2.559	2	3	7	COc1ccc([C@@H](CO)N(C)C(=O)NC(C2CC2)C2CC2)cc1
197600119	ZINC000162926996	ref	4.23	-13.21	0	324.446	2.336	2	4	8	CCC(CC)(NC(=O)[C@H](C)Sc1ccc(OC)cc1)C(N)=O
342600154	ZINC000590847104	ref	1.03	-7.49	0	258.705	1.503	3	3	5	O=C(NCc1ccc(Cl)o1)NC[C@H](O)C1CC1
365626609	ZINC000625046315	mid	4.45	-5.09	0	322.424	2.31	0	4	6	CO[C@H](CN1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1
365626617	ZINC000625046315	low	6.98	-39.39	1	322.424	2.31	1	3	6	CO[C@H](C[NH+]1CCN(C[C@H]2CCCO2)CC1)c1ccc(F)cc1
342600155	ZINC000616998547	ref	6.52	-43.82	1	292.427	1.833	2	3	4	CCc1nn(C)cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600156	ZINC000616998547	mid	6.53	-44.52	1	292.427	1.833	2	3	4	CCc1nn(C)cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600157	ZINC000616998325	ref	5.06	-37.65	1	283.46	1.953	3	1	6	CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
342600158	ZINC000616998325	mid	7.75	-82.0	2	283.46	1.953	3	1	6	CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
342600159	ZINC000616998325	high	5.13	-38.13	1	283.46	1.953	2	2	6	CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
342600160	ZINC000616998325	high	5.06	-37.65	1	283.46	1.953	2	2	6	CCC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
342600161	ZINC000616998262	ref	4.04	-36.46	1	270.417	1.774	3	2	5	CCC[C@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
197600140	ZINC000162920825	ref	5.27	-16.6	0	308.407	1.45	2	4	7	CCc1ccc(S(=O)(=O)NCCc2nnc[nH]2)cc1CC
197600142	ZINC000162920825	mid	4.89	-14.19	0	308.407	1.45	2	4	7	CCc1ccc(S(=O)(=O)NCCc2nc[nH]n2)cc1CC
342600162	ZINC000616998262	mid	3.98	-36.16	1	270.417	1.774	3	2	5	CCC[C@](C)(O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600163	ZINC000590848287	ref	6.91	-13.21	0	277.353	1.698	1	5	2	CS[C@H]1CCN(C(=O)Nc2ccc3ncnn3c2)C1
342600164	ZINC000590848286	ref	8.74	-17.4	0	284.323	1.887	1	5	5	N#CCCN(CC1CC1)C(=O)Nc1ccc2ncnn2c1
342600165	ZINC000590848795	ref	6.87	-53.12	-1	267.35	1.795	1	4	6	CS[C@@H](C)CNC(=O)c1cccc(CC(=O)[O-])c1
199273263	ZINC000294964601	ref	8.14	-10.56	0	277.389	3.31	1	3	7	O=C(CSC1CC1)Nc1ccc(OCC2CC2)cc1
199273266	ZINC000294964548	ref	5.49	-8.42	0	290.342	2.145	1	4	5	CCn1ncc(C(=O)NCC(C)(C)c2cccc(F)c2)n1
199273267	ZINC000294962383	ref	4.56	-8.2	0	282.409	3.086	1	4	4	CCS[C@H]1CCCC[C@@H]1NC(=O)c1nc(C)oc1C
199273270	ZINC000294964571	ref	8.02	-50.41	1	287.382	3.078	1	2	7	Cc1nccnc1CC[NH2+][C@@H](C)CCc1cccc(F)c1
199273272	ZINC000294963052	ref	6.31	-43.61	1	288.435	3.167	2	2	4	Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)C1
199273274	ZINC000294963673	ref	1.49	-10.97	0	288.347	2.478	2	4	6	C[C@H](O)C[C@@H](C)CNC(=O)c1ocnc1-c1ccccc1
178296051	ZINC000303097608	ref	0.13	-15.21	0	233.271	1.59	4	2	3	Cc1cc2cc(NC(=O)NCCO)ccc2[nH]1
343994624	ZINC000079942088	mid	4.55	-35.41	1	262.288	2.049	2	2	3	Cc1[nH+]ccn1-c1ccc([C@H](C)NC(N)=O)cc1F
343994626	ZINC000079939979	ref	7.28	-40.74	1	282.428	2.04	2	2	8	CCC[C@H]1C[C@H]1C(=O)NC1CC[NH+](CCCOC)CC1
178296058	ZINC000353918559	ref	6.6	-12.82	0	240.306	3.381	2	1	2	Cc1cc2cc(NC(=O)C3CC=CC3)ccc2[nH]1
343994628	ZINC000079939979	high	4.92	-7.04	0	282.428	2.04	1	3	8	CCC[C@H]1C[C@H]1C(=O)NC1CCN(CCCOC)CC1
343994630	ZINC000079922732	ref	5.62	-7.62	0	299.374	2.425	1	5	6	COC(=O)[C@H](C)[C@H](NCc1cnc(C)cn1)c1ccccc1
178296064	ZINC000028017762	ref	7.66	-13.87	0	214.22	3.156	0	3	0	Cc1cc2ccc(=O)oc2c2c(C)coc12
178296071	ZINC000013534224	ref	8.13	-13.61	0	215.321	3.695	1	1	0	Cc1cc2cc3c(cc2[nH]c1=S)CCC3
178296077	ZINC000013534224	high	7.69	-49.26	-1	215.321	3.695	0	1	0	Cc1cc2cc3c(cc2[n-]c1=S)CCC3
178296081	ZINC000089203482	ref	8.51	-6.11	0	207.276	4.143	1	0	1	Cc1cc2ccc(-c3ccccc3)cc2[nH]1
178296086	ZINC000237911746	ref	4.18	-45.83	1	243.31	2.024	3	1	2	Cc1cc2cc(NC(=O)[C@@H]3CC[NH2+]C3)ccc2[nH]1
343994632	ZINC000079922732	mid	6.68	-45.67	1	299.374	2.425	1	4	6	COC(=O)[C@H](C)[C@H]([NH2+]Cc1cnc(C)cn1)c1ccccc1
199273285	ZINC000294964196	ref	3.69	-40.2	1	255.387	1.703	2	3	6	CCNC(=O)C(C)(C)C[NH2+]Cc1ncc(C)s1
349533704	ZINC000621229047	ref	5.5	-14.67	0	277.29	2.286	1	3	5	Cc1cnn(CC(=O)NCC(C)(C)CC(F)(F)F)c1
349533707	ZINC000621228365	ref	5.47	-13.62	0	294.317	2.094	1	2	6	CC(C)(CNC(=O)CCN1CCCC1=O)CC(F)(F)F
349533712	ZINC000621228742	ref	4.34	-9.2	0	296.333	2.388	2	2	8	CCCNC(=O)CCC(=O)NCC(C)(C)CC(F)(F)F
349533715	ZINC000621227867	ref	6.26	-35.52	1	268.323	2.421	2	1	6	CC[C@H](C(=O)NCC(C)(C)CC(F)(F)F)[NH+](C)C
432002786	ZINC000129220840	low	7.67	-29.67	1	317.433	3.064	1	2	3	CC[C@@H]1CCCC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C)[nH+]c1C
349533708	ZINC000093228511	high	1.43	-105.29	-2	299.757	0.781	0	6	7	O=C([O-])COCC[N-]S(=O)(=O)c1ccc(Cl)s1
342085299	ZINC000600313045	ref	6.52	-41.54	1	292.339	1.451	2	4	4	C[N@@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1
342085300	ZINC000600313045	mid	6.35	-41.26	1	292.339	1.451	2	4	4	C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1
342085301	ZINC000625353747	ref	2.49	-29.65	1	271.401	1.278	4	3	7	C[C@H](CO)[N@H+](C[C@H](O)CC1(O)CCC1)C1CCCC1
432002787	ZINC000129252058	ref	8.96	-9.72	0	317.36	3.422	1	4	8	COC(=O)Cc1cccc(NCCCOc2ccc(F)cc2)c1
342085302	ZINC000625353747	mid	2.13	-31.22	1	271.401	1.278	4	3	7	C[C@H](CO)[N@@H+](C[C@H](O)CC1(O)CCC1)C1CCCC1
342085303	ZINC000625353619	ref	5.04	-12.15	0	259.371	1.393	0	3	6	C=CC[C@H]1CCN(S(=O)(=O)C2(COC)CC2)C1
365626623	ZINC000343798905	ref	4.6	-9.18	0	228.299	1.618	1	4	5	C=C(CNCc1cn(C)nn1)c1ccccc1
342085304	ZINC000625353829	ref	6.44	-4.76	0	266.385	1.797	1	2	5	CCCCN(C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
214179157	ZINC000337607076	ref	4.78	-11.84	0	271.401	2.06	1	3	7	CN(CCOCCO)C(=O)C[C@H]1CCCCC1(C)C
342085305	ZINC000600313029	ref	7.68	-46.69	1	270.373	1.034	2	3	5	CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)C(=O)OC
282121028	ZINC000423035139	high	5.8	-42.3	1	270.417	1.943	2	3	6	CCC(CC)(CN[C@@H]1CC[NH2+]CC[C@@H]1C)C(=O)OC
349533713	ZINC000093235847	ref	3.05	-11.16	0	276.384	0.848	0	4	4	C[C@H](c1cccnc1)N(C)CC(=O)N1CCN(C)CC1
342085306	ZINC000600313029	mid	7.61	-47.64	1	270.373	1.034	2	3	5	CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(=O)OC
342085307	ZINC000625353784	ref	4.54	-31.09	1	270.417	1.774	3	2	6	C[C@H](CO)[N@H+](CC(=O)NCC(C)(C)C)C1CCCC1
214179161	ZINC000337608383	ref	4.48	-6.63	0	268.401	2.417	3	2	7	CCC[C@](C)(O)CNC(=O)NCC1(C2CC2)CCC1
342085308	ZINC000625353784	mid	4.76	-31.07	1	270.417	1.774	3	2	6	C[C@H](CO)[N@@H+](CC(=O)NCC(C)(C)C)C1CCCC1
342085309	ZINC000625353784	high	2.48	-9.67	0	270.417	1.774	2	3	6	C[C@H](CO)N(CC(=O)NCC(C)(C)C)C1CCCC1
342085310	ZINC000625353919	ref	4.61	-10.09	0	264.325	1.7	1	4	3	Cc1cc(C2(C(=O)NC3CCC3)CCOCC2)on1
342085311	ZINC000625353398	ref	6.67	-19.26	0	287.294	1.951	1	3	2	O=C(c1cc(=O)[nH]cn1)N1CC[C@H](c2ccccc2F)C1
342085312	ZINC000625353398	high	5.51	-44.7	-1	287.294	1.951	0	3	2	O=C(c1cc(=O)[n-]cn1)N1CC[C@H](c2ccccc2F)C1
343995048	ZINC000625565443	mid	4.01	-35.09	1	241.375	1.63	3	2	6	C[N@@H+](C[C@@H](O)CC1(O)CCC1)C[C@H]1CC1(C)C
342600166	ZINC000616998529	ref	5.22	-39.05	1	270.417	1.63	3	2	5	CC[C@H](C)[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
197600118	ZINC000290114419	ref	7.13	-11.89	0	297.358	2.782	0	4	4	C[C@@H](c1noc(CN2CCc3ccccc3C2=O)n1)C1CC1
197600120	ZINC000290116847	ref	6.42	-15.3	0	282.315	2.025	0	4	4	CCOC(=O)CN(C(=O)c1cccnc1F)C(C)(C)C
342600167	ZINC000616998529	mid	5.16	-38.57	1	270.417	1.63	3	2	5	CC[C@H](C)[C@@H](O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600168	ZINC000590848288	ref	6.9	-13.38	0	277.353	1.698	1	5	2	CS[C@@H]1CCN(C(=O)Nc2ccc3ncnn3c2)C1
290623313	ZINC000414207552	ref	6.36	-9.29	0	309.207	3.463	1	2	0	C[C@H]1CC[C@@]2(C1)Nc1ccc(Br)cc1C(=O)N2C
290623314	ZINC000365164661	ref	9.72	-10.64	0	272.392	3.077	0	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)/C=C/c3ccn(C)c3)C2)C1
197600129	ZINC000290115925	ref	7.56	-9.1	0	261.365	3.232	0	2	0	CC1(C)CN(C(=O)C(C)(C)C)Cc2ccccc2O1
342600169	ZINC000590849342	ref	6.16	-55.15	-1	253.323	1.407	1	4	6	CSCCNC(=O)c1cccc(CC(=O)[O-])c1
342600170	ZINC000616998401	ref	6.74	-39.76	1	270.442	1.976	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCSC2)C1
342600171	ZINC000616998401	mid	6.79	-40.2	1	270.442	1.976	2	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCSC2)C1
214179158	ZINC000278476134	ref	3.66	-16.3	0	305.378	1.401	2	4	7	COc1ncccc1CNC(=O)[C@@H](CC1CCC1)NC(C)=O
214179162	ZINC000278477691	ref	5.91	-9.32	0	316.17	2.758	0	2	1	Cc1ccc(F)c(C(=O)N2CCOC[C@H]2C)c1Br
214179166	ZINC000278478123	ref	6.95	-13.88	0	306.353	3.275	1	2	4	O=C(NCCc1cccs1)N1CC[C@@H](CC(F)(F)F)C1
342600172	ZINC000590849163	ref	0.29	-9.53	0	269.37	1.554	3	4	3	Cc1nc(CNC(=O)N[C@H]2CCCC[C@H]2O)cs1
342600173	ZINC000590848503	ref	7.32	-19.46	0	284.323	1.887	1	5	1	C[C@]1(C#N)CCCN(C(=O)Nc2ccc3ncnn3c2)C1
342600174	ZINC000616998155	ref	6.06	-39.49	1	291.395	1.534	3	2	3	Cc1c[nH]cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1=O
342600175	ZINC000616998155	mid	6.09	-39.63	1	291.395	1.534	3	2	3	Cc1c[nH]cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1=O
214179170	ZINC000278476208	ref	7.08	-11.58	0	309.822	3.494	1	4	3	Cc1nn(C)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1
214179174	ZINC000278477450	ref	6.4	-10.12	0	323.194	1.946	0	5	3	Brc1cccnc1N1CCO[C@@H](Cn2cccn2)C1
342600176	ZINC000590848491	ref	6.57	-20.92	0	284.323	1.933	2	5	3	N#CC[C@@H]1CC[C@H](NC(=O)Nc2ccc3ncnn3c2)C1
323004238	ZINC000561573158	ref	7.7	-6.73	0	225.376	3.508	1	1	5	C[C@@H]1CC[C@@H]1NC(=O)CCCCC(C)(C)C
343995052	ZINC000625564096	ref	9.63	-32.38	1	201.313	3.219	1	0	2	C[C@H]1C[C@@H]1C[N@@H+]1Cc2ccccc2[C@H]1C
365626620	ZINC000172849083	ref	6.28	-26.49	0	292.383	1.468	1	4	5	CCC(CC)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O
342600177	ZINC000616998324	ref	5.13	-37.82	1	283.46	1.953	3	1	6	CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
178296069	ZINC000237071578	ref	7.03	-53.48	1	360.483	1.757	2	4	6	CN(C(=O)CCSCc1nc2ccccc2c(=O)[nH]1)C1CC[NH2+]CC1
178296072	ZINC000237071308	ref	4.39	-42.9	1	374.304	1.826	2	3	6	CN(CC(=O)N[C@@](C)(C[NH3+])C1CC1)C(=O)c1ccc(Br)s1
365626626	ZINC000172849467	ref	5.73	-45.21	1	294.399	1.726	2	4	5	Cc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)no1
230741869	ZINC000414362639	ref	7.42	-12.22	0	309.435	3.446	1	4	5	CCCCC[C@@H]1NC(=O)N(c2nc(C(C)(C)C)cs2)C1=O
365626632	ZINC000172849467	mid	5.73	-45.21	1	294.399	1.726	2	4	5	Cc1cc(NC(=O)CC[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)no1
365626638	ZINC000172849467	mid	7.65	-108.36	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)no1
178296075	ZINC000237072773	ref	7.48	-48.69	1	351.45	1.762	2	2	5	CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c1
365626646	ZINC000172849467	mid	8.05	-107.85	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)no1
365626652	ZINC000172849467	mid	8.05	-107.85	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)no1
178296079	ZINC000237072773	mid	6.07	-17.67	0	351.45	1.762	2	3	5	CN(C)C(=O)c1cccc(CCNC(=O)[C@@H]2Cc3ccccc3CN2)c1
178296083	ZINC000237076674	ref	7.79	-38.98	1	356.463	1.775	1	4	9	COCCN(CCOc1ccc(F)cc1)C(=O)C[C@@H]1CSCC[NH2+]1
365626657	ZINC000172849467	mid	8.05	-107.53	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)no1
178296085	ZINC000237076674	high	6.56	-11.22	0	356.463	1.775	1	5	9	COCCN(CCOc1ccc(F)cc1)C(=O)C[C@@H]1CSCCN1
365626663	ZINC000172845134	ref	3.87	-16.51	0	285.347	1.437	3	2	6	C=CC(=O)NCCNC(=O)Cc1c[nH]c2c(C)cccc12
365626673	ZINC000172847650	ref	3.74	-18.67	0	294.399	1.458	2	4	7	Cc1c([C@H](C)NC(=O)CCNC(=O)CC(C)C)cnn1C
282121029	ZINC000151615386	ref	6.71	-10.84	0	310.438	2.051	0	3	2	CC(=O)N1CCC[C@@H](C(=O)N2CCC(OC(C)(C)C)CC2)C1
365626677	ZINC000643088205	ref	4.07	-53.89	1	280.393	1.674	1	2	3	C[C@@H]1[C@H]([NH3+])CCN1S(=O)(=O)c1ccc(C2CC2)cc1
365626682	ZINC000189242297	ref	3.37	-12.24	0	264.272	1.379	1	3	7	CCC[C@@]1(C)NC(=O)N(CCOCC(F)F)C1=O
365626690	ZINC000172849088	ref	6.09	-23.71	0	292.383	1.468	1	4	5	CCC(CC)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
299072496	ZINC000358088898	ref	3.17	-53.15	1	300.424	1.963	2	3	9	COCCC[C@H](C)[NH2+]Cc1cccc(NS(C)(=O)=O)c1
214179160	ZINC000293501788	ref	0.56	-15.64	0	370.427	0.724	2	6	5	CCOc1ccc(OC)cc1NC(=O)C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C
259308963	ZINC000306302566	mid	7.85	-35.24	1	213.733	2.855	1	1	3	C#C[C@H](C)[N@@H+](C)Cc1ccc(Cl)s1
214179165	ZINC000293499380	ref	9.32	-26.98	0	357.414	0.843	0	6	6	CN(C(=O)[C@@H]1CCN(C(=O)COCc2nncn2C)C1)c1ccccc1
342085313	ZINC000625353825	ref	2.14	-13.68	0	293.348	1.605	0	7	5	O=C(C[C@H]1COCCN1Cc1cnns1)c1ccco1
299072501	ZINC000358088266	ref	9.22	-93.43	2	308.47	1.62	3	1	4	CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1
299072504	ZINC000358088266	mid	9.14	-93.27	2	308.47	1.62	3	1	4	CC(C)C[NH+]1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1
299072507	ZINC000358088266	mid	7.15	-44.6	1	308.47	1.62	2	2	4	CC(C)CN1CCN(C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1
214179169	ZINC000293500270	ref	0.89	-13.02	0	369.443	0.561	2	5	7	CC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1
306234553	ZINC000557854564	ref	1.97	-21.0	0	329.443	1.483	1	4	3	CC1(C)CC[C@H]1NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2
342085314	ZINC000625357101	ref	6.42	-10.27	0	294.395	1.462	0	3	7	C=CCN(CC=C)C(=O)C(=O)N1CCC(CCOC)CC1
342085315	ZINC000625353702	ref	1.86	-9.5	0	285.369	1.074	0	5	6	C=CC[C@H]1CCN(S(=O)(=O)c2ccnn2COC)C1
342085316	ZINC000600313044	ref	6.45	-42.37	1	292.339	1.451	2	4	4	C[N@@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1
342085317	ZINC000600313044	mid	6.52	-41.53	1	292.339	1.451	2	4	4	C[N@H+]1CCCC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cn2)C1
214179176	ZINC000293500209	ref	5.02	-43.57	1	371.821	0.644	2	6	7	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1)OC
342085318	ZINC000625353582	ref	4.07	-5.91	0	282.384	1.178	1	3	3	C[C@H]1CCCN(C(=O)C(=O)NCC[C@H]2CCCOC2)C1
230235229	ZINC000334198849	ref	-1.36	-15.31	0	259.331	-1.006	3	4	2	CNC(=O)NC1CN(C(=O)[C@@]2(O)CCSC2)C1
230235233	ZINC000336814124	ref	-2.07	-21.03	0	269.301	-1.696	2	4	3	CCN1C[C@@H](C(=O)N2CC[C@](O)(C(N)=O)C2)CC1=O
230235237	ZINC000336787821	ref	0.11	-38.68	1	260.29	-1.512	3	5	7	CCOC(=O)COCC[N@@H+]1CC[C@@](O)(C(N)=O)C1
230235244	ZINC000336787821	mid	-0.08	-41.13	1	260.29	-1.512	3	5	7	CCOC(=O)COCC[N@H+]1CC[C@@](O)(C(N)=O)C1
230235249	ZINC000336787821	high	-2.45	-13.53	0	260.29	-1.512	2	6	7	CCOC(=O)COCCN1CC[C@@](O)(C(N)=O)C1
230235253	ZINC000334048578	ref	-1.95	-16.34	0	299.375	-1.417	3	4	5	CNC(=O)N[C@H]1CCN(CC(=O)N[C@@H](C)C(=O)N(C)C)C1
342085319	ZINC000600312814	ref	3.62	-14.22	0	298.346	1.828	3	3	5	CCc1ccc2c(c1)[C@@H](CCNC(=O)c1ccn[nH]1)C(=O)N2
342085320	ZINC000625353797	ref	5.53	-5.39	0	252.358	1.716	1	2	4	CC(C)N(C)C(=O)C(=O)NCC[C@@H]1CC=CCC1
342085321	ZINC000625353600	ref	5.09	-12.05	0	284.4	1.254	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1CCC[C@H](C)C1
342085322	ZINC000625353112	ref	4.24	-6.63	0	270.373	1.178	1	3	6	CCCCN(C)C(=O)C(=O)NCC[C@@H]1CCCOC1
214179163	ZINC000337607869	ref	3.07	-47.69	1	295.383	2.132	3	3	6	C[NH2+]C(C)(C)CNC(=O)Nc1cc(OC)cc(OC)c1C
342085323	ZINC000625353658	ref	3.34	-11.18	0	259.371	1.392	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CCO[C@H]2C)C1
342085324	ZINC000625353853	ref	6.36	-4.02	0	278.396	1.941	1	2	2	CC1CCN(C(=O)C(=O)NC[C@H]2CCCC23CC3)CC1
214179168	ZINC000337606429	ref	6.07	-9.64	0	296.317	2.063	1	2	4	O=C(NCC(=O)N1CCCC[C@@H]1C(F)F)c1ccccc1
178296093	ZINC000082791315	ref	1.74	-50.31	1	259.293	1.624	1	2	4	[NH3+]CC[C@H](C(F)(F)F)S(=O)(=O)C1CCCC1
178296095	ZINC000082790971	ref	3.84	-47.3	1	258.287	2.412	1	1	3	[NH3+]CCCN1CCc2c(cccc2C(F)(F)F)C1
214179171	ZINC000337608548	ref	6.43	-11.65	0	296.411	2.44	1	3	4	CS[C@H](C)CC(=O)N1CCN[C@H](c2cccc(F)c2)C1
214179175	ZINC000337608548	low	7.7	-55.42	1	296.411	2.44	1	2	4	CS[C@H](C)CC(=O)N1CC[NH2+][C@H](c2cccc(F)c2)C1
214179179	ZINC000337609642	ref	7.6	-12.75	0	297.362	2.287	1	5	4	CCc1cccnc1NC(=O)c1ccc(N2CCCC2)nn1
214179183	ZINC000337608486	ref	5.69	-11.56	0	285.428	2.45	1	3	8	CCN(CCOCCO)C(=O)C[C@@H]1CCCCC1(C)C
178296097	ZINC000082790971	low	6.42	-116.76	2	258.287	2.412	2	0	3	[NH3+]CCC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1
178296098	ZINC000082790971	low	6.42	-116.76	2	258.287	2.412	2	0	3	[NH3+]CCC[N@H+]1CCc2c(cccc2C(F)(F)F)C1
214179186	ZINC000337607566	ref	3.81	-14.07	0	285.369	0.864	1	4	6	CCc1cccnc1NC(=O)CN(C)S(=O)(=O)CC
214179189	ZINC000337609610	ref	7.68	-10.43	0	273.332	3.177	0	3	4	COc1c(C)cc(CN(C)C(=O)c2ccco2)cc1C
178296101	ZINC000082790620	ref	2.42	-58.1	1	265.737	1.848	1	2	4	C[C@H](C[NH3+])CS(=O)(=O)c1ccc(F)c(Cl)c1
342085325	ZINC000625353563	ref	2.63	-8.99	0	294.326	1.003	2	3	4	CC(C)[C@H](NC(=O)[C@@H]1COc2cc(F)ccc2C1)C(N)=O
342085326	ZINC000600313110	ref	5.9	-11.85	0	283.303	1.524	1	5	6	CCOC(=O)C1(C(=O)Nc2cnn(CCF)c2)CCC1
342085327	ZINC000625353786	ref	4.41	-33.86	1	270.417	1.774	3	2	6	C[C@@H](CO)[N@H+](CC(=O)NCC(C)(C)C)C1CCCC1
342085328	ZINC000625353786	mid	4.6	-31.25	1	270.417	1.774	3	2	6	C[C@@H](CO)[N@@H+](CC(=O)NCC(C)(C)C)C1CCCC1
365626625	ZINC000625048299	ref	1.98	-10.0	0	315.426	2.386	2	3	9	CCC(F)(F)C(C)(C)CS(=O)(=O)NCC(C)(C)CCO
365626634	ZINC000625047488	ref	7.11	-18.07	0	305.422	2.115	1	2	2	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1CCC2(CCC2)CC1
365626645	ZINC000625049231	ref	9.25	-43.74	1	302.418	2.26	1	2	6	CCO[C@@H](C[NH+]1CCN(C(=O)c2ccccc2)CC1)C1CC1
365626655	ZINC000625049231	mid	6.86	-8.33	0	302.418	2.26	0	3	6	CCO[C@@H](CN1CCN(C(=O)c2ccccc2)CC1)C1CC1
230741880	ZINC000425573248	ref	5.12	-13.36	0	318.352	2.356	1	4	6	CCN(Cc1cccc(F)c1)C(=O)NCc1nccc(OC)n1
214179167	ZINC000053366372	low	8.52	-43.51	1	333.476	2.789	3	2	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1c(C)cc(C)cc1C
214179173	ZINC000053364826	ref	7.09	-15.97	0	348.418	2.851	2	3	4	CC(=O)N[C@@H](C(=O)N[C@H]1CCCOc2ccc(F)cc21)C1CCCC1
342600178	ZINC000616998324	mid	7.84	-81.42	2	283.46	1.953	3	1	6	CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
342600179	ZINC000616998324	high	5.11	-37.27	1	283.46	1.953	2	2	6	CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
365626666	ZINC000625047195	ref	5.6	-10.85	0	308.394	2.479	1	3	8	CCC(F)(F)C(C)(C)CS(=O)(=O)NCCn1cccc1
365626670	ZINC000625047043	ref	6.72	-22.03	0	317.364	2.004	1	2	2	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1Cc2cccc(F)c2C1
365626681	ZINC000625049578	ref	6.64	-19.69	0	307.438	2.217	1	2	2	CC(C)(C)[C@@H]1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
365626688	ZINC000625048355	ref	7.74	-19.86	0	319.449	2.361	1	2	3	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1CC[C@H](C2CCCC2)C1
230741897	ZINC000425569066	ref	4.26	-19.6	0	318.483	2.469	2	3	10	CCCC[C@@H](NC(=O)NCCCCS(C)(=O)=O)C1CCC1
365626698	ZINC000625046319	ref	6.71	-37.77	1	322.424	2.31	1	3	6	CO[C@H](CN1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1
214179178	ZINC000053364003	ref	4.02	-51.21	1	341.477	1.867	3	3	7	Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@@H+](C)CCC(C)C)c1C
365626707	ZINC000625046319	mid	4.38	-5.15	0	322.424	2.31	0	4	6	CO[C@H](CN1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1
168365524	ZINC000368506407	ref	3.55	-15.53	0	349.437	3.119	0	6	3	Cc1nc([C@@H]2CCCN2S(=O)(=O)c2csc3ccccc23)no1
342600180	ZINC000616998324	high	5.13	-37.82	1	283.46	1.953	2	2	6	CCC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
230741911	ZINC000425575322	ref	2.2	-11.49	0	317.172	2.457	2	3	4	NC(=O)c1cc(NC(=O)C[C@H]2CCOC2)c(Cl)cc1Cl
342600181	ZINC000590847914	ref	7.19	-14.4	0	295.379	1.913	0	4	4	COC(=O)CN(C(=O)C1=CC[C@H](C)CC1)C1CCOCC1
178296088	ZINC000237074950	ref	6.45	-54.15	1	374.464	1.906	2	5	7	Cc1c(C(=O)NCCCN(C)c2ccccc2F)nnn1C1CC[NH2+]CC1
178296092	ZINC000237070067	ref	4.03	-46.53	1	359.47	1.443	2	4	7	CCOc1cc2c(cc1/C=C/C(=O)NCCN1CC[NH2+]CC1)O[C@H](C)C2
282121035	ZINC000449151041	ref	4.51	-45.11	1	292.379	2.229	2	3	5	COc1ccc(C)cc1NC(=O)COC1CCC([NH3+])CC1
178296094	ZINC000237076706	ref	7.79	-37.7	1	356.463	1.775	1	4	9	COCCN(CCOc1ccc(F)cc1)C(=O)C[C@H]1CSCC[NH2+]1
282121042	ZINC000449150271	ref	6.1	-37.91	1	290.407	2.444	2	2	6	CCC[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1Oc2ccccc2[C@@H]1C
365626631	ZINC000336545764	ref	6.35	-17.65	0	279.405	2.231	0	2	2	CCc1ccc(C(=O)N2C[C@H](C)[S@@](=O)[C@H](C)C2)cc1
178296099	ZINC000237076706	high	6.76	-12.53	0	356.463	1.775	1	5	9	COCCN(CCOc1ccc(F)cc1)C(=O)C[C@H]1CSCCN1
365626639	ZINC000336546080	ref	6.45	-15.63	0	279.405	2.285	0	2	1	Cc1ccc(C(=O)N2C[C@H](C)S(=O)[C@@H](C)C2)cc1C
365626651	ZINC000336546434	ref	4.8	-38.58	1	264.344	2.173	1	2	3	Fc1ccccc1N1CC[C@@H]([NH2+]C2CCOCC2)C1
349533709	ZINC000618811527	ref	5.3	-25.51	0	292.314	1.164	0	5	5	COc1ccc(CC(=O)N(C)Cc2cn(C)nn2)cc1F
178296102	ZINC000237076092	ref	4.05	-46.12	1	374.304	1.826	2	3	6	CN(CC(=O)N[C@](C)(C[NH3+])C1CC1)C(=O)c1ccc(Br)s1
178296105	ZINC000237072134	ref	7.1	-58.43	-1	357.204	1.559	1	4	6	CC(=O)N(C)CC(=O)N[C@H](CC(=O)[O-])c1ccc(Br)cc1
342085329	ZINC000625353786	high	2.78	-7.68	0	270.417	1.774	2	3	6	C[C@@H](CO)N(CC(=O)NCC(C)(C)C)C1CCCC1
365626664	ZINC000336545877	ref	5.84	-13.37	0	277.339	2.303	1	2	3	C[C@@H](CC(=O)N1C[C@@H](O)C2(CC2)C1)c1ccccc1F
178296109	ZINC000237080302	ref	3.58	-54.64	1	371.478	1.339	2	3	6	C[NH2+]C1CCN(C(=O)[C@@H](NS(=O)(=O)c2ccccc2F)C(C)C)CC1
365626671	ZINC000336546405	ref	3.02	-11.35	0	280.176	2.426	0	3	3	O=[S@](Cc1ncc(Cl)cc1Cl)[C@@H]1CCOC1
365626679	ZINC000336545640	ref	6.89	-41.58	1	252.402	2.271	1	1	3	CC(C)[C@@H]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1
365626686	ZINC000336545671	ref	5.97	-8.54	0	259.349	2.163	1	2	3	C[C@@H](CC(=O)N1C[C@H](O)C2(CC2)C1)c1ccccc1
365626697	ZINC000336545763	ref	6.65	-15.59	0	279.405	2.231	0	2	2	CCc1ccc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)cc1
259308965	ZINC000306286605	ref	1.5	-31.08	1	212.318	1.625	2	3	3	Cc1nc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)cs1
342085330	ZINC000625353211	ref	2.47	-13.2	0	297.38	1.252	0	5	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cnn3c2OCCC3)C1
342088655	ZINC000121553607	ref	6.11	-86.86	2	267.417	1.367	3	1	5	CC[NH+]1CCC(CCNC(=O)[C@@]2(C)CCC[NH2+]2)CC1
214179177	ZINC000278477067	ref	5.64	-11.84	0	307.369	2.74	1	3	4	CC(C)=CCNC(=O)N1CCC(Oc2ncccc2F)CC1
290623315	ZINC000423696902	ref	6.33	-45.02	1	307.438	1.235	1	2	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N(C)C3CC[NH2+]CC3)C2)C1
222609369	ZINC000283779461	ref	5.15	-12.4	0	315.398	1.385	2	5	5	Cc1ccccc1-n1ccnc1SCC(=O)NCC#CCO
214179184	ZINC000278477982	ref	8.39	-11.33	0	300.402	3.38	1	2	5	Cc1ccc(NC(=O)/C=C/C2CC2)cc1C(=O)N(C)C(C)C
365626635	ZINC000617398104	ref	3.58	-6.9	0	266.341	0.54	1	3	3	CNC(=O)C1(C(=O)N2CCO[C@@](C)(C3CC3)C2)CC1
214179188	ZINC000278477939	ref	8.15	-16.25	0	310.361	2.28	1	6	4	Cc1ccnc(-n2nc(C)cc2NC(=O)[C@@H](C)n2cccn2)c1
214179192	ZINC000278476576	ref	7.31	-9.41	0	305.443	3.401	1	3	3	CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCSc2ccccc21
214179195	ZINC000278476054	ref	7.86	-20.03	0	324.38	2.907	1	3	4	COc1cc(C)c(NC(=O)CN2Cc3ccccc3C2=O)cc1C
214179200	ZINC000278478304	ref	6.49	-11.87	0	318.348	3.114	0	4	3	Cc1cc(C)c(C(=O)N2CCC(Oc3ncccc3F)CC2)o1
214179204	ZINC000278477593	ref	3.07	-13.48	0	323.386	1.354	0	3	2	C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2F)CC[S@](=O)C1
214179208	ZINC000278477472	ref	7.33	-8.47	0	313.785	2.322	0	5	4	CC(C)N(CC(=O)OC(C)(C)C)C(=O)c1cnc(Cl)cn1
365626644	ZINC000617397681	ref	6.76	-13.93	0	280.368	0.882	0	3	4	CN(CC(=O)N1CCO[C@](C)(C2CC2)C1)C(=O)C1CC1
214179213	ZINC000278477470	ref	0.29	-13.93	0	316.361	1.408	3	5	7	COc1ccc([C@@H](CCO)NC(=O)NCc2cccnn2)cc1
214179218	ZINC000278477726	ref	6.28	-11.74	0	320.433	2.88	1	4	5	CC1(C)CC[C@@H](C(=O)NC[C@H](c2ccco2)N2CCCCC2)O1
214179222	ZINC000278477726	mid	8.24	-46.03	1	320.433	2.88	2	3	5	CC1(C)CC[C@@H](C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)O1
214179225	ZINC000278477672	ref	8.46	-13.28	0	302.418	3.37	1	2	6	CC(=O)N(C)c1ccc(C(=O)NCCCC2CCCC2)cc1
214179229	ZINC000278478120	ref	9.63	-9.61	0	322.796	2.168	0	5	7	COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCn1cncn1
214179233	ZINC000278476209	ref	10.15	-12.99	0	305.422	3.135	1	4	6	CCCCO[C@@H](C)C(=O)Nc1ncc2c(n1)CCC(C)(C)C2
282121036	ZINC000263113473	ref	7.6	-36.82	0	271.401	2.671	1	3	7	CCC(CC)(C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C(=O)[O-]
282121053	ZINC000263022294	ref	8.55	-34.7	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C)C(=O)[O-]
259308968	ZINC000306286605	mid	0.39	-4.68	0	212.318	1.625	2	4	3	Cc1nc([C@@H](C)N[C@@H]2CC[C@H]2O)cs1
178296091	ZINC000043844604	ref	5.32	-16.43	0	244.294	2.594	2	2	2	Cc1cc2cc(NC(=O)[C@@H]3CCCO3)ccc2[nH]1
365626641	ZINC000343798905	mid	6.03	-45.65	1	228.299	1.618	1	3	5	C=C(C[NH2+]Cc1cn(C)nn1)c1ccccc1
365626649	ZINC000576570000	ref	2.06	-7.48	0	242.319	0.888	2	3	4	CCO[C@@H]1C[C@@H]1NC(=O)N[C@@H]1CCOC[C@H]1C
365626659	ZINC000576563482	ref	7.78	-13.56	0	220.276	1.714	2	3	2	O=C(Nc1nc[nH]n1)[C@@H]1CC12CCCCC2
178296096	ZINC000179585221	ref	5.04	-37.4	1	247.338	3.081	2	2	4	Cc1cc2cc([C@@H](C)[NH2+]C[C@@H](C)O)oc2cc1C
365626665	ZINC000576566046	ref	3.74	-9.08	0	223.276	0.81	1	4	5	CCO[C@H]1C[C@@H]1NC(=O)c1nccn1CC
178296100	ZINC000179585221	high	3.84	-7.6	0	247.338	3.081	2	3	4	Cc1cc2cc([C@@H](C)NC[C@@H](C)O)oc2cc1C
398247495	ZINC000651455792	mid	9.36	-49.06	1	289.329	3.444	1	2	2	C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c(F)cc(F)cc32)c2nccn21
398247500	ZINC000651456914	ref	8.03	-7.96	0	284.403	3.176	2	1	2	CC1(NC(=O)NC2CC3(CCC3)C2)Cc2ccccc2C1
342085331	ZINC000625353375	ref	5.4	-13.35	0	285.307	1.307	1	6	4	Cc1noc(C)c1CCNC(=O)c1ccnc2ccnn12
222609375	ZINC000222526743	ref	8.96	-16.99	0	394.496	4.381	1	3	5	Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccccc3)c2)cc1C
136228719	ZINC000061759749	mid	7.61	-5.76	0	216.328	3.201	0	2	6	CC[C@@H](C)N(CCC#N)Cc1ccccc1
178296119	ZINC000038855368	ref	6.12	-3.47	0	200.068	3.783	1	0	0	Cc1cc2cc(Cl)cc(Cl)c2[nH]1
365626676	ZINC000576566034	ref	3.57	-10.79	0	236.3	1.882	1	5	3	Cc1nc(CSc2nc3c([nH]2)CCC3)no1
365626683	ZINC000576569769	ref	5.88	-8.9	0	249.358	2.416	2	2	4	C[C@@H]1CCC[C@H](CNC(=O)NCC2(C#N)CC2)C1
365626691	ZINC000576570002	ref	2.5	-7.21	0	242.319	0.888	2	3	4	CCO[C@@H]1C[C@@H]1NC(=O)N[C@H]1CCOC[C@H]1C
365626702	ZINC000576565570	ref	6.01	-11.13	0	226.276	0.948	0	4	5	CCOC(=O)C(C)(C)CC(=O)N(C)CC#N
342085332	ZINC000625353731	ref	3.98	-4.61	0	282.384	1.341	1	3	4	C=CC(C)(C)CCNC(=O)C(=O)N1C[C@@H](C)O[C@H](C)C1
230741923	ZINC000450470580	ref	5.54	-11.44	0	313.325	1.035	1	5	8	COC[C@@H](NC(=O)[C@H](C)OCc1ccc(F)cc1)C(=O)OC
178296136	ZINC000048946494	ref	3.64	-30.06	1	215.252	2.572	1	2	0	Cc1cc2cc(O)cc3c2c([nH+]1)C[C@@H](C)O3
178296138	ZINC000048946494	mid	4.73	-37.43	0	215.252	2.572	0	2	0	Cc1cc2cc([O-])cc3c2c([nH+]1)C[C@@H](C)O3
259308970	ZINC000306316868	ref	7.53	-39.38	1	213.39	3.05	1	1	2	C[C@H]1CSC[C@H]1[NH2+]C1CCCCCC1
342085333	ZINC000625353657	ref	3.5	-10.45	0	259.371	1.392	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H]2C)C1
365626653	ZINC000354691094	ref	2.72	-10.95	0	288.388	1.282	3	4	9	CCOC(=O)CC[C@@H](C)NC(=O)NC[C@@H](CO)C(C)C
349533710	ZINC000621490372	ref	7.85	-8.53	0	294.439	3.022	1	2	3	CC(C)(C)[C@H]1C[C@H](NC(=O)N2CC(CC3CC3)C2)CCO1
365626660	ZINC000354690252	ref	3.36	-22.04	0	284.406	1.199	1	4	4	C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CC[S@@](=O)C1
349533714	ZINC000621489894	ref	7.53	-8.83	0	286.4	3.467	1	3	5	C=CCN(Cc1cccs1)C(=O)c1ccc(C)c(N)c1
214179181	ZINC000053364003	mid	4.02	-51.26	1	341.477	1.867	3	3	7	Cc1cc(S(N)(=O)=O)cc(NC(=O)C[N@H+](C)CCC(C)C)c1C
365626667	ZINC000354688920	ref	2.57	-10.15	0	291.395	1.988	3	3	5	Cc1cncc(CNC(=O)NC[C@H]2CCC[C@@H](CO)C2)c1
349533719	ZINC000621485322	ref	9.38	-8.46	0	262.397	3.008	1	1	5	O=C(NCC1(C2CC2)CCC1)N1CC(CC2CC2)C1
365626669	ZINC000354691312	ref	5.87	-12.08	0	286.372	1.539	1	4	6	CCOC(=O)CC[C@H](C)NC(=O)N(C)[C@H]1CCCOC1
365626672	ZINC000354691046	ref	5.74	-10.05	0	277.324	1.064	0	5	3	COC(=O)[C@@H](C)CC(=O)N1CCN(C)c2ncccc21
190492651	ZINC000269415446	ref	3.47	-11.68	0	263.337	2.142	2	3	6	CC(C)=CCOc1cccc(C(=O)N[C@H](C)CO)c1
214179187	ZINC000053364003	mid	1.75	-18.19	0	341.477	1.867	2	4	7	Cc1cc(S(N)(=O)=O)cc(NC(=O)CN(C)CCC(C)C)c1C
342085334	ZINC000625353479	ref	4.11	-4.68	0	282.384	1.341	1	3	4	C=CC(C)(C)CCNC(=O)C(=O)N1C[C@H](C)O[C@@H](C)C1
342085335	ZINC000625353302	ref	4.77	-5.58	0	296.411	1.71	1	3	4	CC[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCCOC1
259308972	ZINC000229339715	ref	10.06	-38.3	1	245.366	3.298	1	1	4	Cc1ccc(C(=O)CC[N@@H+]2C[C@@H](C)C[C@H]2C)cc1
214179190	ZINC000053370993	ref	8.15	-18.51	0	348.406	2.741	2	4	5	O=C1CCc2cc(C(=O)NCCCn3cnc4ccccc43)ccc2N1
197600170	ZINC000290116827	ref	11.92	-12.5	0	290.436	3.417	0	5	4	CC(C)Cc1nnc(N2CCC[C@@H]2c2cccs2)n1C
342085336	ZINC000067683782	ref	5.72	-24.86	0	286.257	1.807	0	4	3	CN(C(=O)Cn1ccc(C(F)(F)F)n1)C1(C#N)CCC1
342085337	ZINC000625353859	ref	5.73	-4.83	0	252.358	1.406	1	2	3	CC(C)N(C)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342085338	ZINC000625353624	ref	5.31	-14.11	0	283.397	1.798	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2cn(CC)c(C)n2)C1
342085339	ZINC000625353572	ref	3.58	-9.56	0	292.379	1.644	2	3	8	CCOc1cccc(CCC(=O)N[C@@H](C(N)=O)C(C)C)c1
342085340	ZINC000625353606	ref	4.2	-11.39	0	292.379	1.526	2	3	7	Cc1ccccc1CO[C@H](C)C(=O)N[C@H](C(N)=O)C(C)C
342085341	ZINC000625353746	ref	1.03	-30.1	1	271.401	1.278	4	3	7	C[C@H](CO)[N@H+](C[C@@H](O)CC1(O)CCC1)C1CCCC1
178296112	ZINC000237080302	high	3.79	-77.69	0	371.478	1.339	1	3	6	C[NH2+]C1CCN(C(=O)[C@@H]([N-]S(=O)(=O)c2ccccc2F)C(C)C)CC1
178296116	ZINC000237075340	ref	9.37	-46.27	1	351.45	1.986	2	2	6	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[NH2+]C1)c1ccccc1
342600182	ZINC000616998263	ref	4.0	-36.51	1	270.417	1.774	3	2	5	CCC[C@@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
178296118	ZINC000237081746	ref	7.79	-52.03	1	351.52	1.775	1	5	5	CCc1nsc(N2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)n1
178296122	ZINC000237080394	ref	6.17	-48.27	1	370.497	1.331	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)CC1
178296124	ZINC000237080394	mid	8.51	-92.81	2	370.497	1.331	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)CC1
365626654	ZINC000637720892	ref	4.67	-11.14	0	268.357	1.073	1	3	3	CC(=O)NC[C@H]1CCCCN1C(=O)[C@]1(C)CCCO1
365626661	ZINC000274330921	ref	3.35	-21.17	0	296.396	1.009	2	5	4	O=C(NCCc1cn2c(n1)SCC2)N[C@@H]1CCCOC1
365626668	ZINC000274329746	ref	7.29	-12.57	0	291.303	1.294	1	5	5	COC(=O)Cc1ccc(NC(=O)C2(C(=O)OC)CC2)cc1
178296126	ZINC000237081822	ref	7.76	-49.67	1	351.52	1.775	1	5	5	CCc1nsc(N2CCN(C(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)n1
178296133	ZINC000237076064	ref	3.57	-46.06	1	358.236	1.358	2	3	6	CN(CC(=O)N[C@](C)(C[NH3+])C1CC1)C(=O)c1ccc(Br)o1
178296135	ZINC000237076542	ref	1.11	-46.46	1	367.265	1.434	1	4	6	COc1cc(Br)c(S(=O)(=O)N(C)[C@@H](C)C[NH3+])cc1OC
178296139	ZINC000237073350	ref	3.92	-51.59	1	353.488	1.331	2	3	7	CN(CC(=O)N[C@H](C[NH3+])C1CCCCC1)S(=O)(=O)c1ccccc1
178296144	ZINC000237070931	ref	3.29	-55.86	1	358.236	1.358	2	3	5	CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])C(=O)c1ccc(Br)o1
178296148	ZINC000237079739	ref	6.28	-51.85	1	353.413	1.93	2	2	5	C[NH2+]C1CCN(C(=O)[C@@H](NC(=O)c2c(F)cccc2F)C(C)C)CC1
365626674	ZINC000274328780	ref	1.76	-11.03	0	291.38	1.385	1	5	3	C[C@H](c1nccs1)N1CCN(C(=O)c2cn[nH]c2)CC1
178296151	ZINC000237070979	ref	7.74	-82.83	2	372.513	1.469	3	2	6	C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
178305691	ZINC000292617228	low	8.98	-39.38	1	243.31	2.583	0	3	5	Cc1cc2[nH+]cn(CCOCCC#N)c2cc1C
365626678	ZINC000274329438	ref	3.87	-19.1	0	298.412	1.255	2	5	7	COCC[C@@H](C)NC(=O)NCCc1cn2c(n1)SCC2
190597647	ZINC000270095355	ref	4.06	-11.22	0	265.357	1.457	2	4	5	Cc1nn(C)cc1[C@@H](C)NC(=O)C[C@@](C)(O)C1CC1
365639617	ZINC000576607332	ref	2.28	-23.09	0	240.328	1.534	0	4	6	COc1ccc(C[S@@](=O)CCC2CC2)nn1
342600183	ZINC000616998263	mid	3.95	-36.2	1	270.417	1.774	3	2	5	CCC[C@@](C)(O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600184	ZINC000589751585	ref	6.03	-7.68	0	279.311	1.453	1	4	5	COCC#CCN[C@](C)(C(=O)OC)c1ccc(F)cc1
214179182	ZINC000293500209	mid	5.02	-43.57	1	371.821	0.644	3	5	7	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)OC
365626656	ZINC000122326160	high	3.87	-8.78	0	284.444	2.287	1	3	8	COCCN(C)CCNC(=O)C[C@H]1CCCCC1(C)C
230741917	ZINC000425572697	ref	3.5	-20.64	0	316.467	2.079	2	3	6	CS(=O)(=O)CCCCNC(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1
230741921	ZINC000425573585	ref	5.21	-11.07	0	300.362	2.135	1	4	5	COc1ccnc(CNC(=O)N(C)Cc2ccccc2C)n1
168365525	ZINC000307223446	ref	2.24	-49.43	1	184.283	1.028	2	1	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)C1CCCC1
214179185	ZINC000293499513	ref	2.9	-23.35	0	372.425	0.891	3	4	4	O=C1CNC(=O)c2ccc(C(=O)NCCC(=O)N3CCCCCC3)cc2N1
365626662	ZINC000122223626	ref	4.72	-12.34	0	286.422	2.37	0	4	4	CC[C@@H](C)CS(=O)(=O)N1CCSc2ncccc21
342600185	ZINC000616998546	ref	6.52	-44.91	1	292.427	1.833	2	3	4	CCc1nn(C)cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600186	ZINC000616998546	mid	6.46	-44.43	1	292.427	1.833	2	3	4	CCc1nn(C)cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
398247497	ZINC000356345764	ref	3.04	-8.18	0	214.309	1.511	2	2	7	CCCCNC(=O)NC[C@H](OC)C1CC1
398247499	ZINC000356343175	ref	4.81	-4.49	0	215.293	0.953	1	4	7	CC[C@H](NC[C@@H](OC)C1CC1)C(=O)OC
342600187	ZINC000616998528	ref	5.17	-39.2	1	270.417	1.63	3	2	5	CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600188	ZINC000616998528	mid	5.11	-38.93	1	270.417	1.63	3	2	5	CC[C@H](C)[C@H](O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600189	ZINC000616998526	ref	5.16	-37.93	1	270.417	1.63	3	2	5	CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600190	ZINC000616998526	mid	5.19	-38.59	1	270.417	1.63	3	2	5	CC[C@H](C)[C@H](O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600191	ZINC000590847488	ref	1.46	-19.36	0	286.295	1.721	2	6	4	Cc1noc(-c2ccc(NC(=O)NC[C@@H](C)C#N)cn2)n1
365626675	ZINC000122196675	ref	4.63	-12.5	0	286.422	2.37	0	4	4	CC(C)CCS(=O)(=O)N1CCSc2ncccc21
282121037	ZINC000533457506	ref	6.36	-6.92	0	280.372	1.736	1	4	6	CCCN(C)C(=O)C(=O)Nc1ccnn1CCC(C)C
342600192	ZINC000616998527	ref	5.23	-38.36	1	270.417	1.63	3	2	5	CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600193	ZINC000616998527	mid	5.23	-38.91	1	270.417	1.63	3	2	5	CC[C@H](C)[C@@H](O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
398247503	ZINC000356343175	low	5.25	-34.63	1	215.293	0.953	1	3	7	CC[C@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC
365626658	ZINC000617394928	ref	3.12	-13.85	0	291.351	0.765	1	4	3	Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@@](C)(C2CC2)C1
342085342	ZINC000625353746	mid	1.31	-30.82	1	271.401	1.278	4	3	7	C[C@H](CO)[N@@H+](C[C@@H](O)CC1(O)CCC1)C1CCCC1
342085343	ZINC000625353599	ref	5.1	-11.34	0	284.4	1.254	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1CCC[C@@H](C)C1
342085344	ZINC000625353827	ref	2.51	-11.29	0	293.348	1.605	0	7	5	O=C(C[C@@H]1COCCN1Cc1cnns1)c1ccco1
342085345	ZINC000625353925	ref	5.43	-4.38	0	266.385	1.963	1	2	4	C=CC(C)(C)CCNC(=O)C(=O)N1CCC[C@@H](C)C1
342085346	ZINC000625353298	ref	4.69	-5.34	0	296.411	1.71	1	3	4	CC[C@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCCOC1
342085347	ZINC000625353908	ref	2.45	-8.5	0	293.367	1.499	2	4	5	CC(C)[C@@H](NC(=O)c1cccc(OC(C)(C)C)n1)C(N)=O
342085348	ZINC000625353864	ref	4.81	-12.21	0	270.373	1.128	0	3	4	COCCC1CCN(C(=O)C(=O)N(C)C(C)C)CC1
342085349	ZINC000625353605	ref	4.25	-11.36	0	292.379	1.526	2	3	7	Cc1ccccc1CO[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C
168365526	ZINC000368507583	ref	9.12	-11.56	0	326.444	3.274	1	3	4	CC(C)c1[nH]ccc1C(=O)N(C)C1CCN(c2ccccn2)CC1
365626680	ZINC000617396910	ref	3.63	-8.55	0	283.368	0.801	1	4	3	C[C@]1(C2CC2)CN(C(=O)[C@H](O)C2CCOCC2)CCO1
365626687	ZINC000617399051	ref	2.56	-18.63	0	254.33	0.669	1	3	5	C[C@]1(C2CC2)CN(C(=O)CCCC(N)=O)CCO1
168365527	ZINC000368507583	low	9.43	-35.59	1	326.444	3.274	1	2	4	CC(C)c1[nH]ccc1C(=O)N(C)C1CCN(c2cccc[nH+]2)CC1
342085350	ZINC000625353850	ref	4.85	-7.42	0	290.363	1.111	1	3	3	CC(C)N(C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CO1
282121038	ZINC000151606278	ref	9.95	-11.94	0	324.428	2.184	0	4	2	O=C([C@@H]1CCn2cncc2C1)N1CCCN(c2ccccc2)CC1
282121044	ZINC000151606278	low	10.46	-40.99	1	324.428	2.184	0	3	2	O=C([C@@H]1CCn2c[nH+]cc2C1)N1CCCN(c2ccccc2)CC1
342085351	ZINC000625353660	ref	3.42	-10.17	0	259.371	1.392	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@H]2CCO[C@@H]2C)C1
342085352	ZINC000625353604	ref	4.28	-11.45	0	292.379	1.526	2	3	7	Cc1ccccc1CO[C@@H](C)C(=O)N[C@@H](C(N)=O)C(C)C
342088582	ZINC000046826172	ref	6.77	-11.43	0	284.359	1.975	1	2	4	C[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N(C)C
365626693	ZINC000617397424	ref	3.57	-22.27	0	289.397	0.839	0	4	5	C[C@@]1(C2CC2)CN(C(=O)CCCS(C)(=O)=O)CCO1
342088583	ZINC000121567511	ref	7.59	-16.07	0	268.32	1.573	1	4	4	Cc1cc(C#N)ccc1C(=O)NCCc1cncn1C
365626705	ZINC000617399242	ref	3.67	-23.26	0	289.397	0.839	0	4	5	CCCS(=O)(=O)CC(=O)N1CCO[C@@](C)(C2CC2)C1
214179191	ZINC000293494738	ref	0.23	-9.05	0	367.187	0.542	2	5	6	COCC[C@](C)(O)CNC(=O)c1cnn(C)c1I
342085353	ZINC000625355021	ref	2.17	-8.78	0	282.365	1.677	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2ccc(OC)nc2)C1
342085354	ZINC000625354841	ref	5.22	-3.91	0	282.384	1.196	1	3	8	C=CCN(CC=C)C(=O)C(=O)N(C)CC(O)(CC)CC
342085355	ZINC000625354824	ref	6.26	-3.89	0	278.396	1.797	1	2	2	CC1CCN(C(=O)C(=O)NC[C@@]2(C)C[C@@H]3C[C@@H]3C2)CC1
168365528	ZINC000368508145	ref	7.67	-8.56	0	348.468	3.142	1	4	1	O=C(Nc1cccc2c1OCCC2)N1CCSC2(CCOCC2)C1
282121041	ZINC000533457446	ref	3.44	-7.09	0	252.318	1.004	2	4	5	CCNC(=O)C(=O)Nc1ccnn1CCC(C)C
342085356	ZINC000625354502	ref	5.4	-9.15	0	289.379	1.406	1	3	3	Cc1ccc(C(C)(C)CNC(=O)C(=O)N2CCCC2)nc1
168365529	ZINC000368504141	ref	7.89	-10.66	0	346.471	3.228	1	3	5	COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@@]3(CCCOC3)C2)cc1
168365531	ZINC000368502103	ref	7.81	-10.21	0	346.471	3.08	1	3	3	Cc1ccc([C@H](C)CNC(=O)N2CCOC3(CCOCC3)CC2)cc1
168365532	ZINC000368503630	ref	9.35	-10.97	0	343.358	3.399	0	4	3	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC(F)(c2cccnc2)CC1
342085357	ZINC000625354800	ref	2.59	-11.59	0	264.354	1.582	0	6	7	COCCN(Cc1cccnc1)Cc1cnns1
342085358	ZINC000625354571	ref	5.75	-4.07	0	264.369	1.86	1	2	3	CC[C@@H]1CCCCN1C(=O)C(=O)NCC1CC=CC1
342085359	ZINC000077927722	ref	3.67	-11.5	0	285.307	1.709	2	7	5	Cc1ccn(-c2ccc(NC[C@@H](O)c3ccco3)nn2)n1
342085360	ZINC000625354073	ref	4.27	-10.49	0	294.395	1.174	1	3	2	C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](O)C2)C1
342085361	ZINC000625354330	ref	3.96	-5.72	0	258.362	1.175	1	3	7	CCC[C@@H](CNC(=O)C(=O)N(C)C(C)C)OCC
342085362	ZINC000625354927	ref	5.06	-6.11	0	296.411	1.71	1	3	4	CN(C(=O)C(=O)NCC[C@H]1CCCOC1)C1CCCCC1
342085363	ZINC000625354689	ref	3.56	-12.26	0	269.37	1.315	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cnn(C)c2C)C1
342085364	ZINC000625354375	ref	6.35	-38.17	1	295.427	1.376	2	2	4	CC(C)N(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1
342085365	ZINC000625354375	mid	6.06	-37.74	1	295.427	1.376	2	2	4	CC(C)N(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1
342085366	ZINC000625354375	high	3.13	-5.64	0	295.427	1.376	1	3	4	CC(C)N(C)C(=O)C(=O)NC[C@H]1CCN1C1CCCCC1
342085367	ZINC000625354202	ref	4.79	-9.85	0	275.414	1.885	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](OC)C(C)C)C1
342085368	ZINC000625354572	ref	5.68	-3.83	0	264.369	1.86	1	2	3	CC[C@H]1CCCCN1C(=O)C(=O)NCC1CC=CC1
342085369	ZINC000625354201	ref	4.55	-9.99	0	275.414	1.885	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](OC)C(C)C)C1
342085370	ZINC000625354481	ref	6.75	-4.84	0	266.385	1.797	1	2	5	CCCCN(C)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342085371	ZINC000625354079	ref	-2.2	-6.86	0	251.33	1.219	1	5	3	COc1cncc(CN2[C@H](C)CC(O)C[C@H]2C)n1
199273286	ZINC000294964196	mid	2.51	-9.05	0	255.387	1.703	2	4	6	CCNC(=O)C(C)(C)CNCc1ncc(C)s1
199273289	ZINC000294964386	ref	1.25	-15.27	0	266.345	0.23	1	5	5	CCC[C@H](O)CN1CCN(c2cnn(C)c2)C(=O)C1
199273290	ZINC000294964386	low	3.54	-55.71	1	266.345	0.23	2	4	5	CCC[C@H](O)C[N@@H+]1CCN(c2cnn(C)c2)C(=O)C1
199273292	ZINC000294964386	low	3.88	-55.93	1	266.345	0.23	2	4	5	CCC[C@H](O)C[N@H+]1CCN(c2cnn(C)c2)C(=O)C1
342085372	ZINC000625354079	mid	0.04	-36.44	1	251.33	1.219	2	4	3	COc1cncc(C[NH+]2[C@H](C)CC(O)C[C@H]2C)n1
342085373	ZINC000625354426	ref	4.58	-31.28	1	271.401	1.807	2	3	7	C[C@H](CO)[N@H+](CCOC1CCOCC1)C1CCCC1
342085374	ZINC000625354426	mid	4.38	-29.1	1	271.401	1.807	2	3	7	C[C@H](CO)[N@@H+](CCOC1CCOCC1)C1CCCC1
342085375	ZINC000625354929	ref	5.06	-6.1	0	296.411	1.71	1	3	4	CN(C(=O)C(=O)NCC[C@@H]1CCCOC1)C1CCCCC1
342085376	ZINC000625353974	ref	2.37	-40.02	1	294.395	1.196	3	4	9	COCC[N@@H+](Cc1cccnc1)C[C@@H](O)CC1(O)CCC1
306234554	ZINC000557847193	ref	7.82	-44.04	1	346.431	1.266	2	3	8	CN(CCC[NH+](C)C)C(=O)NCCCN1C(=O)c2ccccc2C1=O
230741926	ZINC000450467386	ref	7.45	-14.94	0	301.394	1.987	1	6	3	C[C@@H]1C[C@@H]1c1nnc2ccc(N(C)[C@@H]3CC[C@@H](O)CC3)nn12
342085377	ZINC000625353974	mid	2.4	-40.63	1	294.395	1.196	3	4	9	COCC[N@H+](Cc1cccnc1)C[C@@H](O)CC1(O)CCC1
365626684	ZINC000122179729	ref	6.34	-30.89	1	251.37	2.103	1	2	3	C[C@]1(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CCCO1
199273294	ZINC000294963955	ref	6.96	-8.54	0	290.407	3.201	1	3	6	COC(C)(C)C[C@@H](C)NC(=O)c1ccc(C2CC2)nc1C
199273296	ZINC000294963731	ref	5.02	-8.3	0	288.376	2.303	1	5	5	CCc1cnc(CNC(=O)c2cnc(C3CC3)nc2)s1
199273298	ZINC000294963292	ref	3.64	-10.09	0	262.353	1.744	2	3	5	Cc1cncc(CCC(=O)NCC2(O)CCCC2)c1
199273300	ZINC000294964603	ref	7.46	-39.5	1	255.308	3.04	1	1	6	CO[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1F)C1CC1
199273302	ZINC000294964603	high	6.74	-2.68	0	255.308	3.04	1	2	6	CO[C@H](CN[C@@H](C)c1cc(F)ccc1F)C1CC1
349533711	ZINC000602429911	ref	6.04	-42.69	1	209.337	1.564	1	2	5	CCN1CC[NH+](C[C@@H](C)CCC#N)CC1
199273304	ZINC000294963255	ref	5.85	-6.87	0	291.391	3.224	1	4	5	CC1(C)OCC[C@@H]1Nc1ccc(OC[C@H]2CCCO2)cc1
342600194	ZINC000616998544	ref	8.35	-84.21	2	295.471	1.955	3	1	4	CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1
306234555	ZINC000557846062	ref	5.7	-55.16	-1	331.284	1.497	1	7	7	O=C(NCCOc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)[O-])nc1
342600195	ZINC000616998544	mid	8.37	-84.38	2	295.471	1.955	3	1	4	CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1
398247502	ZINC000192229295	ref	6.7	-6.7	0	235.258	1.605	0	3	4	C#CCN(C)[C@H](C(=O)OC)c1ccccc1F
282121043	ZINC000359332933	ref	6.32	-46.33	1	252.358	0.823	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2C[C@@]23CCOC3)C1
282121062	ZINC000355594682	ref	7.92	-53.43	1	276.384	1.171	1	3	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCc3nccn32)C1
282121080	ZINC000355594682	mid	8.38	-80.45	2	276.384	1.171	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCc3[nH+]ccn32)C1
178296141	ZINC000048946494	high	3.27	-7.56	0	215.252	2.572	1	3	0	Cc1cc2cc(O)cc3c2c(n1)C[C@@H](C)O3
342600196	ZINC000616998544	mid	6.18	-37.06	1	295.471	1.955	2	2	4	CC1CCN(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1
342600197	ZINC000616998544	mid	6.19	-37.63	1	295.471	1.955	2	2	4	CC1CCN(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1
197600195	ZINC000162920721	ref	7.59	-14.95	0	319.38	2.12	1	2	4	CN1C[C@@H](NC(=O)N(Cc2ccccc2F)C2CC2)CCC1=O
365626685	ZINC000274331420	ref	3.0	-19.6	0	284.36	1.391	2	4	4	O=C(NCCN1CCSCC1)Nc1cccc(F)n1
197600200	ZINC000162919546	ref	5.84	-16.33	0	311.813	2.569	2	2	6	CNC(=O)CCCN(C)C(=O)N[C@H](C)c1ccc(Cl)cc1
398249361	ZINC000651462963	ref	3.67	-9.94	0	268.719	3.021	2	3	5	OC[C@H](CCF)Nc1ccnc2c(Cl)cccc12
398249363	ZINC000651462963	low	4.07	-31.38	1	268.719	3.021	2	2	5	OC[C@H](CCF)Nc1cc[nH+]c2c(Cl)cccc12
197600203	ZINC000162917178	ref	7.77	-44.23	-1	312.307	2.033	0	9	7	CCCn1c(SCC(=O)[O-])nnc1-c1ccc([N+](=O)[O-])o1
349533716	ZINC000602429911	mid	6.45	-38.55	1	209.337	1.564	1	2	5	CC[NH+]1CCN(C[C@@H](C)CCC#N)CC1
398249364	ZINC000651465301	ref	4.1	-7.58	0	274.286	3.065	2	3	5	OCC1(CCNc2cccc(C(F)(F)F)n2)CCC1
342600198	ZINC000590848757	ref	4.38	-52.89	-1	297.376	1.157	2	5	7	CSC[C@@](C)(O)CNC(=O)c1cccc(CC(=O)[O-])c1
398249366	ZINC000651465399	ref	4.94	-8.45	0	291.42	3.218	2	5	6	CCc1nc(NCCC2(CO)CCC2)c2ccsc2n1
342600199	ZINC000590848270	ref	5.94	-13.46	0	277.353	1.746	2	5	4	CSC1(CNC(=O)Nc2ccc3ncnn3c2)CC1
349533718	ZINC000602429911	high	4.08	-6.81	0	209.337	1.564	0	3	5	CCN1CCN(C[C@@H](C)CCC#N)CC1
398249368	ZINC000651463704	ref	7.35	-41.82	1	262.397	3.163	1	2	6	CO[C@H](C1CC1)[C@H](C)[NH2+][C@@H](C)c1ccc(C)nc1C
365626689	ZINC000354691196	ref	4.79	-15.52	0	292.379	1.773	2	4	7	CC[C@H](O)CCCNC(=O)c1cn(C2CC2)c(C)cc1=O
349533717	ZINC000621227867	high	4.0	-6.02	0	268.323	2.421	1	2	6	CC[C@H](C(=O)NCC(C)(C)CC(F)(F)F)N(C)C
365626695	ZINC000354689847	ref	4.76	-7.8	0	290.429	1.462	0	3	6	CCN(CCC1CC1)S(=O)(=O)N1C[C@H](C)O[C@H](C)C1
365626701	ZINC000354689540	ref	2.69	-13.87	0	293.363	1.489	2	4	8	CCOC1CC(C(=O)NCc2ccccc2OCCO)C1
230741942	ZINC000450468110	ref	3.21	-13.86	0	308.378	1.841	2	4	8	COCC[C@@H](NC(=O)CC[C@@H]1CCC(=O)N1)c1ccc(C)o1
178296150	ZINC000040505342	ref	6.09	-12.41	0	228.295	3.215	2	1	2	Cc1cc2cc(NC(=O)C3CCC3)ccc2[nH]1
342085378	ZINC000625353974	mid	0.7	-6.31	0	294.395	1.196	2	5	9	COCCN(Cc1cccnc1)C[C@@H](O)CC1(O)CCC1
178296162	ZINC000013534428	ref	4.88	-14.73	0	219.265	2.935	1	3	0	Cc1cc2cc3c(cc2[nH]c1=S)OCO3
290623316	ZINC000336077193	ref	7.63	-7.04	0	293.451	3.478	0	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)C(C)(C)C3CCOCC3)C2)C1
365626708	ZINC000354689618	ref	5.27	-9.88	0	298.427	1.369	0	4	4	CCN1CCO[C@H](C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)C1
178296167	ZINC000013534428	high	4.45	-45.61	-1	219.265	2.935	0	3	0	Cc1cc2cc3c(cc2[n-]c1=S)OCO3
398247504	ZINC000651455223	ref	8.46	-7.0	0	262.397	3.293	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@H]2CCC[C@@H]21
178296178	ZINC000077045854	ref	6.07	-4.44	0	200.068	3.783	1	0	0	Cc1cc2cc(Cl)c(Cl)cc2[nH]1
178296185	ZINC000020271048	ref	7.14	-6.16	0	226.106	4.158	0	1	0	Cc1cc2ccc(Cl)c(C)c2nc1Cl
365626711	ZINC000354689618	mid	7.68	-44.05	1	298.427	1.369	1	3	4	CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)C1
365626718	ZINC000354689618	mid	6.97	-34.82	1	298.427	1.369	1	3	4	CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H]2C[C@@](C)(OC)C2(C)C)C1
342085379	ZINC000625354727	ref	5.88	-44.41	1	274.43	1.556	1	2	8	C=CC[C@@H]1CCN(S(=O)(=O)CC[NH+](CC)CC)C1
168365530	ZINC000011979892	ref	3.12	-42.47	1	124.187	0.835	1	1	2	C[C@@H]([NH3+])Cn1cccc1
365626721	ZINC000354689171	ref	1.65	-10.49	0	294.326	1.571	3	3	5	COc1cc(F)cc(CNC(=O)N[C@H]2C=C[C@H](CO)C2)c1
178296192	ZINC000330052148	ref	3.34	-12.19	0	243.31	3.007	3	2	2	Cc1cc2cc(N[C@@H]3CCCNC3=O)ccc2[nH]1
190492655	ZINC000269421955	ref	5.81	-14.14	0	277.364	2.858	2	3	6	O=C(COc1ccccc1O)NCCC1CCCCC1
365626727	ZINC000354688962	ref	3.53	-10.08	0	297.443	1.67	2	3	7	CCC(=O)N[C@@H]1CCCN([C@H](C)C(=O)NC(CC)CC)C1
365639627	ZINC000576629263	ref	7.74	-42.14	1	231.339	2.168	1	1	5	CCO[C@H]1C[C@@H]1[NH2+]CC1Cc2ccccc2C1
342085380	ZINC000625354727	mid	3.76	-8.65	0	274.43	1.556	0	3	8	C=CC[C@@H]1CCN(S(=O)(=O)CCN(CC)CC)C1
214179194	ZINC000293494628	ref	2.55	-22.56	0	359.452	0.417	1	6	7	COCCCn1ccc(NC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)n1
214179201	ZINC000293502767	ref	0.72	-24.36	0	359.404	0.213	3	6	7	CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@@H](OC)C(=O)OC)c1
342085381	ZINC000625354950	ref	6.65	-5.49	0	284.359	1.654	1	2	2	O=C(NCC1CC=CC1)C(=O)N1CCc2ccccc2C1
214179207	ZINC000293489638	ref	4.39	-8.8	0	362.43	0.881	1	6	4	CCOC1CN(C(=O)C(=O)Nc2ccc(N3C[C@H](C)O[C@H](C)C3)nc2)C1
214179211	ZINC000293494206	ref	2.86	-16.48	0	374.441	0.89	3	4	4	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(C(=O)N2CCCC[C@H]2C)cc1
293080599	ZINC000360626581	ref	6.12	-11.1	0	265.353	2.473	0	3	4	COC[C@H](C)[C@H](C)C(=O)N1CCCc2occc2C1
365626692	ZINC000274331420	mid	5.45	-54.52	1	284.36	1.391	3	3	4	O=C(NCC[NH+]1CCSCC1)Nc1cccc(F)n1
214179215	ZINC000293495438	ref	3.89	-13.62	0	356.386	0.507	2	7	2	O=C(Nc1ccc(-n2cnnn2)cc1)C(=O)N1CC[C@@H](O)C12CCCC2
342085382	ZINC000625354857	ref	4.81	-5.16	0	284.4	1.566	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1CCC(C)CC1)OCC
342085383	ZINC000625354071	ref	4.3	-11.48	0	294.395	1.174	1	3	2	C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](O)C2)C1
365626700	ZINC000274329436	ref	3.87	-19.18	0	298.412	1.255	2	5	7	COCC[C@H](C)NC(=O)NCCc1cn2c(n1)SCC2
214190332	ZINC000053603378	ref	8.28	-48.73	1	332.366	3.143	2	2	8	Cc1cccc(NC(=O)C[N@H+](C)CCCOCC(F)(F)F)c1C
197600217	ZINC000290114154	ref	1.2	-9.69	0	270.358	1.504	3	5	4	C=C[C@H](CO)NC(=O)Nc1nc(C(C)(C)C)ns1
197600219	ZINC000290115726	ref	6.65	-15.06	0	299.378	2.884	2	4	4	Cc1c([C@H](C)NC(=O)Nc2cc(C3CC3)ccn2)cnn1C
197600223	ZINC000290115603	ref	5.12	-7.08	0	277.368	2.946	1	4	6	CC[C@H](C)[C@H](NC(C)=O)c1nc(CC2=CCCC2)no1
342085384	ZINC000625354510	ref	2.88	-6.54	0	293.411	1.132	2	2	3	O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C(=O)N1CCCC1
342085385	ZINC000625354510	mid	5.71	-38.24	1	293.411	1.132	2	2	3	O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)C(=O)N1CCCC1
342085386	ZINC000625354510	high	2.88	-6.54	0	293.411	1.132	1	3	3	O=C(NC[C@H]1CCN1C1CCCCC1)C(=O)N1CCCC1
342085387	ZINC000625354915	ref	6.9	-5.8	0	264.369	1.814	0	2	2	C/C=C\C[C@H]1CCCN(C(=O)C(=O)N2CCCC2)C1
342085388	ZINC000625354631	ref	4.17	-10.07	0	266.366	1.977	0	3	4	C=CC[C@H]1CCN(S(=O)(=O)c2cnccc2C)C1
178296154	ZINC000237070979	high	5.26	-39.23	1	372.513	1.469	2	3	6	CN(C)Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
178296156	ZINC000237075709	ref	8.38	-53.28	1	362.386	1.493	1	6	7	C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21
178296160	ZINC000237081643	ref	2.66	-54.76	1	354.472	1.226	2	4	8	COCCS(=O)(=O)c1ccc(C(=O)NCC[C@@H]2CCC[NH2+]C2)cc1
178296164	ZINC000237071037	ref	7.68	-86.81	2	372.513	1.469	3	2	6	C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
398247506	ZINC000356352264	ref	6.38	-42.06	1	237.347	1.952	1	3	6	CCC[C@@]1([NH2+]Cc2cncn2CC)CCOC1
178296166	ZINC000237071037	high	5.2	-38.96	1	372.513	1.469	2	3	6	CN(C)Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
365626694	ZINC000122267748	ref	6.57	-31.0	1	270.417	2.182	1	2	6	COC(C)(C)C[NH2+][C@@H](C)CC(=O)N1CCCCCC1
365626704	ZINC000122299480	ref	6.99	-42.7	1	272.396	2.391	1	3	4	C1=CC[C@H](C[NH2+][C@H]2CCCN(c3cccnn3)C2)CC1
365626713	ZINC000122307899	ref	5.85	-13.76	0	279.311	2.368	0	3	3	O=C(CC[C@@H]1CCOC1)N1CCOc2ccc(F)cc21
178296170	ZINC000237078952	ref	6.34	-47.27	1	350.484	1.549	1	3	6	C[NH2+]C[C@@H]1CCCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2
178296173	ZINC000237079826	ref	2.57	-56.11	1	353.488	1.304	2	4	7	CCS(=O)(=O)c1ccc(N2CCC(NC(=O)CCC[NH3+])CC2)cc1
178296176	ZINC000237075132	ref	9.16	-46.78	1	351.45	1.986	2	2	6	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[NH2+]C1)c1ccccc1
178296179	ZINC000237069466	ref	6.26	-53.63	-1	367.203	1.931	1	6	5	CC[C@H](NC(=O)c1nnn(-c2cccc(Br)c2)c1C)C(=O)[O-]
178296180	ZINC000237071009	ref	7.71	-104.96	2	372.513	1.469	3	2	6	C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
178296182	ZINC000237071009	high	5.22	-47.06	1	372.513	1.469	2	3	6	CN(C)Cc1cccc(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
178296186	ZINC000237074186	ref	5.03	-53.82	1	365.499	1.27	2	3	7	CN(C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1)C1CC[NH2+]CC1
365626724	ZINC000122217204	ref	6.71	-12.72	0	295.342	2.043	0	4	3	N#Cc1ccccc1N1CCN(C(=O)Cc2ccoc2)CC1
178296190	ZINC000237077505	ref	3.48	-54.16	1	359.879	1.918	2	3	6	C[NH2+]C[C@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1
136228720	ZINC000285186695	ref	6.25	-4.91	0	206.289	3.087	0	3	7	C=CCCCc1nc(CCC(=C)C)no1
178305694	ZINC000041053919	ref	6.45	-47.05	1	217.316	2.561	1	2	2	Cc1cc2ncn([C@H](C)[C@@H](C)[NH3+])c2cc1C
365626696	ZINC000643088299	ref	4.17	-61.13	1	296.436	1.922	1	2	4	CCc1cccc(CC)c1S(=O)(=O)N1CC[C@@H]([NH3+])[C@H]1C
365626699	ZINC000172844325	ref	6.26	-13.85	0	294.376	1.568	1	4	5	COc1ccccc1O[C@H](C)CN1C(=O)[C@@H](C)NC1=S
365626709	ZINC000172852382	ref	5.76	-24.97	0	278.356	1.078	1	4	4	CC[C@H](C)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O
197600208	ZINC000162916151	ref	3.03	-10.35	0	319.224	2.284	2	3	5	CCC(CC)(NC(=O)c1sccc1Br)C(N)=O
282121046	ZINC000174638822	mid	7.18	-52.35	1	318.425	0.779	2	4	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]3CC[C@@H](C1)[N@H+]3C)CC2
342600200	ZINC000590849138	ref	-0.03	-8.88	0	255.343	1.022	3	4	5	Cc1nc(CNC(=O)NC[C@H](O)C2CC2)cs1
290623317	ZINC000378614972	ref	8.18	-8.61	0	259.349	3.332	0	2	2	C[C@H]1CC[C@@]2(CCN(C(=O)/C=C/c3ccco3)C2)C1
365626716	ZINC000172851181	ref	5.31	-17.09	0	274.364	1.629	2	2	4	Cc1cc(C)cc(C[C@H](C)NC(=O)[C@H]2CCC(=O)N2)c1
342600201	ZINC000590848481	ref	5.89	-13.9	0	270.296	1.543	2	5	2	N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc2ncnn2c1
342600202	ZINC000616998265	ref	4.05	-35.85	1	270.417	1.774	3	2	5	CCC[C@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
365626720	ZINC000172849474	ref	5.44	-45.24	1	294.399	1.726	2	4	5	Cc1cc(NC(=O)CC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)no1
365626726	ZINC000172849474	mid	5.44	-45.17	1	294.399	1.726	2	4	5	Cc1cc(NC(=O)CC[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)no1
178305696	ZINC000041053919	low	6.93	-103.16	2	217.316	2.561	1	1	2	Cc1cc2[nH+]cn([C@H](C)[C@@H](C)[NH3+])c2cc1C
230741966	ZINC000425570889	ref	4.41	-20.82	0	304.456	2.033	1	3	7	CN(CC1CCCCC1)C(=O)NCCCCS(C)(=O)=O
230741969	ZINC000425568770	ref	6.95	-11.0	0	320.437	2.179	1	4	7	C=C[C@@H]1OCC[C@H]1CNC(=O)N(Cc1cnn(C)c1)CC(C)C
230741972	ZINC000425569744	ref	4.51	-11.93	0	322.38	2.404	2	3	7	C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](OC)c1ccc(F)cc1
230741976	ZINC000425569535	ref	4.52	-21.03	0	304.456	2.033	1	3	7	CCC[C@@H]1CCCN(C(=O)NCCCCS(C)(=O)=O)C1
365626732	ZINC000172849474	mid	7.71	-107.68	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)no1
365626737	ZINC000172849474	mid	7.52	-107.69	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)no1
365626739	ZINC000172849474	mid	7.71	-107.68	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)no1
365626745	ZINC000172849474	mid	7.71	-107.85	2	294.399	1.726	3	3	5	Cc1cc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)no1
342600203	ZINC000616998265	mid	4.05	-36.35	1	270.417	1.774	3	2	5	CCC[C@](C)(O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365626703	ZINC000336546237	ref	6.93	-8.59	0	270.332	2.419	1	2	2	O=C(c1cc2ccccc2[nH]1)N1CCO[C@H](C2CC2)C1
168365788	ZINC000307493369	ref	1.76	-48.29	1	196.254	-0.114	2	3	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cn(C)cn1
365626710	ZINC000336546163	ref	7.97	-36.42	1	283.375	2.137	2	3	3	Cc1ncc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)n1-c1ccccc1
230741955	ZINC000414361054	ref	5.9	-7.7	0	301.39	3.066	1	5	9	CCc1ncc(CNc2ccccc2OCCCOC)cn1
365626717	ZINC000336546163	mid	7.46	-36.4	1	283.375	2.137	2	3	3	Cc1ncc(C[N@H+]2C[C@@H](O)C3(CC3)C2)n1-c1ccccc1
342085389	ZINC000625354365	ref	3.57	-31.63	1	257.374	1.416	2	3	4	C[C@H]1C[C@H](O)C[C@@H](C)[N@@H+]1CCOC1CCOCC1
230741961	ZINC000414360598	ref	5.24	-41.28	1	300.28	3.17	1	3	6	Cc1occc1C[NH2+]CCOc1ncccc1C(F)(F)F
197600218	ZINC000162915879	ref	3.66	-12.96	0	306.259	2.017	2	2	5	CCC(CC)(NC(=O)c1cc(F)c(F)c(F)c1F)C(N)=O
365626719	ZINC000336546163	mid	5.01	-7.81	0	283.375	2.137	1	4	3	Cc1ncc(CN2C[C@@H](O)C3(CC3)C2)n1-c1ccccc1
365626723	ZINC000336546092	ref	4.23	-33.71	1	258.296	2.335	1	2	1	O[C@H]1CN(c2cc[nH+]c3cc(F)ccc23)CC12CC2
230741964	ZINC000414360598	high	3.81	-9.94	0	300.28	3.17	1	4	6	Cc1occc1CNCCOc1ncccc1C(F)(F)F
214179196	ZINC000053358693	ref	10.71	-48.93	1	340.471	2.992	2	3	6	C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C)n2ccnc2)C1
214179199	ZINC000053358693	mid	11.02	-45.83	1	340.471	2.992	2	3	6	C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](C)n2ccnc2)C1
365626729	ZINC000336546092	mid	3.8	-5.95	0	258.296	2.335	1	3	1	O[C@H]1CN(c2ccnc3cc(F)ccc23)CC12CC2
365626735	ZINC000336545601	ref	6.05	-8.55	0	299.305	2.057	1	3	1	Cc1ccncc1NC(=O)C(=O)N1CCc2cc(F)ccc21
365626744	ZINC000336545949	ref	5.25	-12.94	0	299.292	2.231	1	2	2	O=C(Cc1ccccc1C(F)(F)F)N1C[C@@H](O)C2(CC2)C1
136228721	ZINC000285181754	ref	5.83	-7.64	0	245.307	3.178	0	5	4	C=C(C)CCc1noc(-c2cc(C#N)cs2)n1
342085390	ZINC000625354365	mid	2.83	-33.6	1	257.374	1.416	2	3	4	C[C@H]1C[C@H](O)C[C@@H](C)[N@H+]1CCOC1CCOCC1
342085391	ZINC000625354365	high	1.47	-4.22	0	257.374	1.416	1	4	4	C[C@H]1C[C@H](O)C[C@@H](C)N1CCOC1CCOCC1
342085392	ZINC000625354709	ref	4.4	-11.67	0	261.387	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)C[C@H](CC)OC)C1
342085393	ZINC000625355030	ref	3.73	-11.26	0	261.387	1.639	0	3	6	C=CC[C@H]1CCN(S(=O)(=O)CC(C)(C)OC)C1
342085394	ZINC000625355029	ref	3.73	-11.0	0	261.387	1.639	0	3	6	C=CC[C@@H]1CCN(S(=O)(=O)CC(C)(C)OC)C1
342085395	ZINC000625354018	ref	5.66	-6.09	0	282.384	1.272	0	3	3	CN(CC1(C)COC1)C(=O)C(=O)N(C)C1CCCCC1
214179202	ZINC000337606499	ref	2.28	-13.1	0	299.371	0.983	1	6	10	CCN(CCOCCO)C(=O)CCc1nc(C(C)C)no1
214179206	ZINC000337609807	ref	6.47	-9.81	0	275.348	3.068	0	3	2	CCC1(C)CCN(C(=O)c2ccc3c(c2)OCO3)CC1
342085396	ZINC000625354427	ref	4.75	-30.75	1	271.401	1.807	2	3	7	C[C@@H](CO)[N@H+](CCOC1CCOCC1)C1CCCC1
349533720	ZINC000618812008	ref	4.59	-24.4	0	274.324	1.234	0	5	5	COCc1cccc(C(=O)N(C)Cc2cn(C)nn2)c1
197600230	ZINC000290115274	ref	1.5	-8.4	0	266.297	1.495	1	5	4	COc1ccc(CNC(=O)OC2CCOCC2)nc1
214179209	ZINC000337610217	ref	7.42	-9.52	0	279.355	3.487	0	2	3	CCC1(C)CCN(C(=O)c2cc(F)ccc2OC)CC1
185091314	ZINC000096081301	ref	6.25	-13.45	0	289.335	1.208	0	4	3	Cc1oncc1C(=O)N1CC[C@H]2[C@H]1CC(=O)N2CC1CC1
282121047	ZINC000449151023	ref	6.03	-92.27	2	280.412	2.037	3	2	9	C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@@H+]1CCC[C@H]1CO
365626706	ZINC000274330768	ref	1.74	-13.89	0	285.294	1.274	3	2	5	CC(C)[C@@H](NC(=O)NCc1ccc(F)c(F)c1)C(N)=O
365626715	ZINC000274331240	ref	2.68	-11.64	0	252.318	1.661	2	4	6	COCCC(C)(C)CNC(=O)Nc1cncnc1
365626722	ZINC000637720891	ref	4.68	-10.3	0	268.357	1.073	1	3	3	CC(=O)NC[C@@H]1CCCCN1C(=O)[C@]1(C)CCCO1
342085397	ZINC000625354427	mid	4.79	-30.72	1	271.401	1.807	2	3	7	C[C@@H](CO)[N@@H+](CCOC1CCOCC1)C1CCCC1
365626730	ZINC000274330354	ref	0.05	-7.66	0	266.341	1.062	1	5	5	COc1ccc(CN2CCOC[C@@H]2C[C@H](C)O)nc1
365626734	ZINC000274330354	low	1.75	-33.48	1	266.341	1.062	2	4	5	COc1ccc(C[N@@H+]2CCOC[C@@H]2C[C@H](C)O)nc1
342085398	ZINC000625354203	ref	4.54	-10.12	0	275.414	1.885	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](OC)C(C)C)C1
342085399	ZINC000625357108	ref	5.97	-5.73	0	298.427	1.644	1	3	8	CCCCN(CCCC)C(=O)C(=O)N(C)C[C@@H]1C[C@H](O)C1
342085400	ZINC000625354483	ref	6.76	-4.81	0	266.385	1.797	1	2	5	CCCCN(C)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342085401	ZINC000625354492	ref	4.52	-6.65	0	294.395	1.01	1	3	1	O=C(C(=O)N1C[C@@H]2CCC[C@]2(CO)C1)N1CCCCCC1
342085402	ZINC000625354263	ref	3.74	-5.91	0	292.379	1.259	2	3	5	Cc1cccc([C@@H](NC(=O)C(=O)N(C)CCO)C(C)C)c1
342085403	ZINC000625354279	ref	8.17	-13.35	0	256.309	1.609	1	4	4	O=C(NC1CCC1)c1cccc(Cn2cncn2)c1
342085404	ZINC000625355020	ref	2.19	-8.63	0	282.365	1.677	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(OC)nc2)C1
342085405	ZINC000625354856	ref	4.84	-5.26	0	284.4	1.566	1	3	6	CCC[C@H](CNC(=O)C(=O)N1CCC(C)CC1)OCC
199273288	ZINC000181261416	ref	3.62	-12.09	0	315.377	1.293	0	6	4	CCc1ccnc(C(=O)N2CCN(Cc3noc(C)n3)CC2)c1
342085406	ZINC000625354909	ref	6.97	-5.68	0	264.369	1.814	0	2	2	C/C=C/C[C@H]1CCCN(C(=O)C(=O)N2CCCC2)C1
199273291	ZINC000181259625	ref	6.15	-8.81	0	301.386	2.778	2	3	2	Cc1ccc(C(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)cc1O
199273293	ZINC000181263261	ref	7.54	-24.87	0	320.349	0.383	0	7	6	Cn1cnn(CC(=O)N(Cc2ccco2)C[C@H]2CCCO2)c1=O
342085407	ZINC000625354264	ref	3.7	-6.14	0	292.379	1.259	2	3	5	Cc1cccc([C@H](NC(=O)C(=O)N(C)CCO)C(C)C)c1
199273295	ZINC000181266077	ref	0.48	-41.13	-1	312.753	1.26	3	4	5	C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(Cl)c1[O-]
199273297	ZINC000181266077	mid	-0.27	-8.67	0	312.753	1.26	4	4	5	C[C@H](O)[C@@H](NC(=O)C1CC1)C(=O)Nc1cccc(Cl)c1O
199273299	ZINC000181266168	ref	9.0	-40.88	1	314.433	2.47	2	2	3	CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c[nH]c(C#N)c3)C2)CC1
199273301	ZINC000181266172	ref	4.26	-13.9	0	311.382	1.779	1	4	6	Cc1cccc(S(=O)(=O)NCCCc2cnn(C)c2)c1F
190492656	ZINC000269420307	ref	4.99	-15.75	0	266.385	2.01	2	2	6	C=CC(=O)NCCC(=O)N[C@H]1CCC[C@H](C(C)C)C1
199273303	ZINC000181266172	high	4.2	-52.58	-1	311.382	1.779	0	4	6	Cc1cccc(S(=O)(=O)[N-]CCCc2cnn(C)c2)c1F
199273305	ZINC000181266376	ref	6.34	-42.76	1	319.449	2.375	3	2	8	COC1(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1
199273306	ZINC000181266376	mid	6.36	-41.74	1	319.449	2.375	3	2	8	COC1(CNC(=O)NC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC1
199273308	ZINC000181266376	high	4.26	-6.94	0	319.449	2.375	2	3	8	COC1(CNC(=O)NC[C@@H](C)N(C)Cc2ccccc2)CCC1
199273310	ZINC000181261091	ref	5.71	-41.14	1	314.426	2.144	2	2	5	Cc1cccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)c1F
199273312	ZINC000181261091	high	5.62	-62.46	0	314.426	2.144	1	2	5	Cc1cccc(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c1F
199273315	ZINC000181265490	ref	5.18	-13.28	0	302.378	1.655	2	3	5	CCCCNC(=O)[C@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1
342085408	ZINC000625354675	ref	5.37	-9.67	0	295.408	1.734	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(N(C)C)nc2)C1
342085409	ZINC000625354161	ref	4.81	-12.57	0	274.364	1.725	2	2	5	Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@@H](C(N)=O)C(C)C)c1
342085410	ZINC000625354075	ref	4.38	-11.42	0	294.395	1.174	1	3	2	C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](O)C2)C1
342085411	ZINC000625354590	ref	7.03	-3.88	0	276.38	1.739	1	2	6	C=CCN(CC=C)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
342600204	ZINC000590849161	ref	0.53	-10.7	0	269.37	1.554	3	4	3	Cc1nc(CNC(=O)N[C@@H]2CCCC[C@@H]2O)cs1
365626712	ZINC000617396423	ref	4.39	-9.07	0	282.384	0.735	0	4	3	CCN1CCO[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
342600205	ZINC000590848479	ref	5.71	-19.21	0	270.296	1.543	2	5	2	N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc2ncnn2c1
365626725	ZINC000617396423	mid	6.8	-48.88	1	282.384	0.735	1	3	3	CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365626733	ZINC000617396423	mid	6.63	-41.02	1	282.384	0.735	1	3	3	CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
342600206	ZINC000590849160	ref	0.12	-11.26	0	269.37	1.554	3	4	3	Cc1nc(CNC(=O)N[C@@H]2CCCC[C@H]2O)cs1
214179203	ZINC000053358693	low	11.54	-90.53	2	340.471	2.992	2	2	6	C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H](C)n2cc[nH+]c2)C1
168365789	ZINC000307344654	ref	-0.09	-45.07	1	183.211	0.14	2	3	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccon1
214179205	ZINC000053358693	low	11.84	-87.8	2	340.471	2.992	2	2	6	C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](C)n2cc[nH+]c2)C1
197600243	ZINC000162915262	ref	5.15	-10.33	0	307.568	2.294	0	5	2	Cc1nn(C)c(Cn2ncc(Cl)c(Cl)c2=O)c1Cl
295666672	ZINC000412989196	ref	8.7	-9.57	0	302.374	2.662	0	3	6	O=C1CN(c2ccccc2)C(=O)N1CCOCC1CCCC1
342600207	ZINC000590849040	ref	2.52	-35.46	1	265.342	1.184	2	5	4	Cc1nc(CNC(=O)NCc2nccn2C)cs1
342600208	ZINC000590849040	low	2.52	-35.46	1	265.342	1.184	2	4	4	Cc1nc(CNC(=O)NCc2[nH+]ccn2C)cs1
365626742	ZINC000617396421	ref	4.5	-9.31	0	282.384	0.735	0	4	3	CCN1CCO[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
214179210	ZINC000053370418	ref	3.66	-10.71	0	346.814	3.058	2	4	4	O=C(CN1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1ccc(O)cc1
214179214	ZINC000053367518	ref	8.92	-41.57	1	343.471	2.59	2	2	4	CC(=O)N1CCc2cc(C(=O)NCC(C)(C)[NH+]3CCCCC3)ccc21
214190333	ZINC000337633383	ref	4.51	-46.27	1	299.415	0.679	3	3	9	CCN(CCOCCO)C(=O)NCC[N@H+]1CC=C(C)CC1
342600209	ZINC000616998175	ref	5.39	-36.92	1	293.415	1.538	2	4	5	CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)nn1
290623318	ZINC000366051846	ref	8.24	-8.4	0	347.484	2.999	1	4	1	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)Nc3nc4c(s3)CCCC4)C2)C1
365626746	ZINC000617396421	mid	6.62	-40.56	1	282.384	0.735	1	3	3	CC[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
197600256	ZINC000162927514	ref	4.94	-18.4	0	305.422	1.999	3	2	7	CCNC(=O)C(C)(C)CNC(=O)NCCc1ccccc1C
365639633	ZINC000576612634	ref	4.42	-9.45	0	221.304	1.635	2	2	4	C[C@@H]1C[C@@H]1CNC(=O)NCC1(C#N)CCC1
398247507	ZINC000649442265	ref	5.44	-9.54	0	230.267	2.167	0	4	1	Cc1c(-c2ccc3c(c2)OCCO3)cnn1C
398247510	ZINC000649442207	ref	5.0	-8.92	0	232.283	2.413	0	4	3	COc1cc(OC)cc(-c2cn(C)nc2C)c1
214179212	ZINC000337608384	ref	4.48	-6.57	0	268.401	2.417	3	2	7	CCC[C@@](C)(O)CNC(=O)NCC1(C2CC2)CCC1
342085412	ZINC000625354341	ref	3.42	-35.69	1	256.39	1.382	3	2	3	C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCC(C)(C)C
214179217	ZINC000337606286	ref	7.26	-6.41	0	275.392	3.171	1	2	6	COCCCCC(=O)N[C@]1(C)CCCc2ccccc21
282121048	ZINC000533462773	ref	6.47	-45.52	1	292.427	1.022	2	3	8	C[NH+]1CCN(CCCNC(=O)CCCn2cccc2)CC1
342085413	ZINC000625354341	mid	1.29	-8.94	0	256.39	1.382	2	3	3	C[C@@H]1CC(O)C[C@@H](C)N1CC(=O)NCC(C)(C)C
133428070	ZINC000306422950	ref	6.35	-46.24	1	180.295	2.314	1	1	3	CC(C)C[NH2+][C@@H]1CCC[C@H](C#N)C1
342085414	ZINC000077927719	ref	3.83	-11.46	0	285.307	1.709	2	7	5	Cc1ccn(-c2ccc(NC[C@H](O)c3ccco3)nn2)n1
342085415	ZINC000625354080	ref	-1.03	-5.81	0	251.33	1.219	1	5	3	COc1cncc(CN2[C@@H](C)C[C@H](O)C[C@H]2C)n1
342085416	ZINC000625354080	mid	1.06	-36.02	1	251.33	1.219	2	4	3	COc1cncc(C[N@@H+]2[C@@H](C)C[C@H](O)C[C@H]2C)n1
342085417	ZINC000625354080	mid	1.05	-38.23	1	251.33	1.219	2	4	3	COc1cncc(C[N@H+]2[C@@H](C)C[C@H](O)C[C@H]2C)n1
342085418	ZINC000625354022	ref	5.06	-4.43	0	250.342	1.327	1	2	2	CC1CCN(C(=O)C(=O)NCC2CC=CC2)CC1
342085419	ZINC000625354376	ref	2.94	-5.35	0	296.411	1.302	2	3	3	CC1(C)CCC[C@@H]1CCNC(=O)C(=O)N1CCC[C@@H](O)C1
342085420	ZINC000625354690	ref	3.56	-12.68	0	269.37	1.315	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cnn(C)c2C)C1
342085421	ZINC000625354534	ref	5.38	-4.43	0	294.395	1.175	1	3	2	C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H](C)O1
342085422	ZINC000625354162	ref	5.02	-11.35	0	274.364	1.725	2	2	5	Cc1cccc([C@@H]2C[C@H]2C(=O)N[C@H](C(N)=O)C(C)C)c1
342085423	ZINC000625354707	ref	4.12	-10.51	0	261.387	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](CC)OC)C1
342085424	ZINC000625354676	ref	5.35	-9.89	0	295.408	1.734	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2ccc(N(C)C)nc2)C1
342085425	ZINC000625354342	ref	3.43	-35.07	1	256.39	1.382	3	2	3	C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCC(C)(C)C
342085426	ZINC000625354342	mid	1.46	-9.02	0	256.39	1.382	2	3	3	C[C@H]1CC(O)C[C@H](C)N1CC(=O)NCC(C)(C)C
342085427	ZINC000625354087	ref	3.59	-6.23	0	292.379	1.321	2	3	5	CC[C@@H](NC(=O)C(=O)N(C)CCO)c1cc(C)ccc1C
342085428	ZINC000625354670	ref	3.77	-7.9	0	289.788	1.66	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C1
342085429	ZINC000625354204	ref	4.78	-10.02	0	275.414	1.885	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)C[C@H](OC)C(C)C)C1
342085430	ZINC000625354913	ref	7.04	-5.79	0	264.369	1.814	0	2	2	C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2CCCC2)C1
342085431	ZINC000625354081	ref	-1.19	-5.77	0	251.33	1.219	1	5	3	COc1cncc(CN2[C@@H](C)CC(O)C[C@@H]2C)n1
342085432	ZINC000625354081	mid	0.91	-36.03	1	251.33	1.219	2	4	3	COc1cncc(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)n1
342085433	ZINC000625354711	ref	4.12	-10.29	0	261.387	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](CC)OC)C1
342085434	ZINC000625354532	ref	5.09	-4.49	0	294.395	1.175	1	3	2	C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)C[C@@H](C)O1
342085435	ZINC000625354473	ref	7.31	-37.63	1	295.427	1.378	2	2	6	CCCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1
365626714	ZINC000625046319	low	6.87	-39.16	1	322.424	2.31	1	3	6	CO[C@H](C[NH+]1CCN(C[C@@H]2CCCO2)CC1)c1ccc(F)cc1
342085436	ZINC000625354473	mid	6.97	-37.9	1	295.427	1.378	2	2	6	CCCCN(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1
342085437	ZINC000625354473	high	4.03	-5.24	0	295.427	1.378	1	3	6	CCCCN(C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCC1
342085438	ZINC000077927736	ref	0.78	-12.7	0	281.333	1.829	2	5	5	CS(=O)(=O)c1ccccc1NC[C@@H](O)c1ccco1
342085439	ZINC000625354816	ref	3.78	-10.71	0	293.411	1.692	1	4	8	COCCN(CC(=O)NCC(C)(C)C)Cc1cccnc1
214179216	ZINC000053367518	high	6.88	-11.65	0	343.471	2.59	1	3	4	CC(=O)N1CCc2cc(C(=O)NCC(C)(C)N3CCCCC3)ccc21
214179219	ZINC000053356344	ref	10.3	-12.88	0	340.423	2.96	0	3	4	CC(=O)N1CCCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1
197600272	ZINC000162920623	ref	7.32	-6.66	0	311.834	2.995	0	3	1	Cc1cc(Cl)cc(C(=O)N2CCS[C@H]3COCC[C@H]32)c1
342085440	ZINC000625354816	low	5.94	-44.38	1	293.411	1.692	2	3	8	COCC[N@H+](CC(=O)NCC(C)(C)C)Cc1cccnc1
342085441	ZINC000625354816	low	5.9	-44.81	1	293.411	1.692	2	3	8	COCC[N@@H+](CC(=O)NCC(C)(C)C)Cc1cccnc1
342085442	ZINC000625354031	ref	0.72	-6.93	0	288.351	1.529	0	6	8	COCCN(Cc1cccnc1)Cc1cncc(OC)n1
342085443	ZINC000625354031	low	3.38	-43.38	1	288.351	1.529	1	5	8	COCC[N@H+](Cc1cccnc1)Cc1cncc(OC)n1
342085444	ZINC000625354031	low	3.44	-42.68	1	288.351	1.529	1	5	8	COCC[N@@H+](Cc1cccnc1)Cc1cncc(OC)n1
342085445	ZINC000625354630	ref	4.2	-9.93	0	266.366	1.977	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cnccc2C)C1
342085446	ZINC000625354379	ref	2.9	-5.38	0	296.411	1.302	2	3	3	CC1(C)CCC[C@H]1CCNC(=O)C(=O)N1CCC[C@H](O)C1
365626728	ZINC000625045497	ref	3.34	-13.93	0	320.361	2.144	0	4	5	C[C@@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)[C@@H]1C
230741983	ZINC000414363964	ref	6.3	-10.66	0	312.417	3.098	2	4	6	CCc1ncc(CNc2ccc(C)c(C(=O)NC(C)C)c2)cn1
178296191	ZINC000237080582	ref	8.26	-42.09	1	350.484	1.538	2	4	7	COC(=O)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)Cc1cccc(C)c1
178296194	ZINC000237080582	high	7.03	-10.54	0	350.484	1.538	2	5	7	COC(=O)[C@@H](CNC(=O)C[C@@H]1CSCCN1)Cc1cccc(C)c1
365626738	ZINC000625045506	ref	3.27	-14.17	0	320.361	2.144	0	4	5	C[C@H]1[C@H](C)CCN1S(=O)(=O)c1cccnc1OCC(F)F
365626751	ZINC000625046808	ref	3.9	-12.19	0	320.437	2.465	1	5	7	CCCCNC(=O)C1CCN(Cc2noc(C3CCC3)n2)CC1
178296198	ZINC000237078810	ref	3.95	-51.46	1	353.488	1.101	2	3	6	C[NH2+]CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1c(C)cc(C)cc1C
178296200	ZINC000237071279	ref	0.86	-58.43	1	362.517	1.522	2	4	8	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@](C)(C[NH3+])CC(C)C)c1
365626759	ZINC000625045206	ref	5.22	-10.17	0	314.227	2.144	0	3	6	CCN(CC)C(=O)CN(C)Cc1ccncc1Br
230741991	ZINC000414360342	ref	10.4	-27.42	1	309.413	3.269	3	3	5	Cc1ccc(Oc2ccccc2CCNC2=[NH+]CCCN2)cc1
178296204	ZINC000237071279	high	0.36	-18.19	0	362.517	1.522	2	5	8	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@](C)(CN)CC(C)C)c1
178296205	ZINC000237079054	ref	7.18	-64.99	1	369.425	1.029	1	7	7	CCc1noc(-c2ccc(CC[NH2+]Cc3cn(C)c(=O)n(C)c3=O)cc2)n1
365626764	ZINC000625045942	ref	4.81	-11.27	0	320.418	2.124	1	5	4	CC1(C)CCC[C@@H]1NS(=O)(=O)c1cnnn1-c1ccccc1
178296209	ZINC000237072306	ref	4.4	-58.85	1	352.456	1.166	1	4	5	CN(C(=O)CC[S@@](=O)c1ccc2c(c1)OCCO2)C1CC[NH2+]CC1
365626769	ZINC000625045942	high	4.74	-39.64	-1	320.418	2.124	0	5	4	CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cnnn1-c1ccccc1
178296211	ZINC000237071859	ref	6.38	-92.49	2	356.474	1.503	3	4	6	Cc1c(C(=O)NCc2cccc(C[NH+](C)C)c2)nnn1C1CC[NH2+]CC1
178296215	ZINC000237071859	high	3.91	-51.44	1	356.474	1.503	2	5	6	Cc1c(C(=O)NCc2cccc(CN(C)C)c2)nnn1C1CC[NH2+]CC1
299072498	ZINC000354605241	ref	2.42	-7.0	0	325.39	0.831	1	6	4	CO[C@@H]1CN(C(=O)C(=O)Nc2nc(C3CC3)cs2)C[C@H]1OC
365626775	ZINC000625049276	ref	6.16	-8.02	0	303.45	2.279	1	3	4	Cc1ccccc1N1CCN(CC(=O)NCC(C)(C)C)CC1
365626779	ZINC000625049276	low	8.34	-40.23	1	303.45	2.279	2	2	4	Cc1ccccc1N1CC[NH+](CC(=O)NCC(C)(C)C)CC1
398247508	ZINC000356352264	high	5.23	-6.91	0	237.347	1.952	1	4	6	CCC[C@@]1(NCc2cncn2CC)CCOC1
168365533	ZINC000368508371	ref	10.66	-48.49	1	325.428	3.145	1	4	8	CCOC(=O)c1cnn(C2CC[NH+](CCCCCF)CC2)c1C
342600210	ZINC000616998175	mid	5.4	-37.25	1	293.415	1.538	2	4	5	CCCn1cc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nn1
168365535	ZINC000368507599	ref	6.41	-47.37	1	333.378	3.196	3	2	5	O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](CC[C@@H](O)c2ccccc2)C1
178296203	ZINC000333009217	ref	5.57	-14.41	0	244.294	2.594	2	2	2	Cc1cc2cc[nH]c2cc1NC(=O)[C@@H]1CCCO1
342600211	ZINC000616998034	ref	4.39	-53.61	1	277.368	1.637	3	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1
342600212	ZINC000616998034	mid	4.36	-53.01	1	277.368	1.637	3	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2cc[nH]c(=O)c2)C1
214179220	ZINC000293503382	ref	2.47	-17.65	0	360.393	0.826	3	5	3	O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CC[C@@](O)(c2cn[nH]n2)C1
342600213	ZINC000590848743	ref	7.06	-55.4	-1	267.35	1.795	1	4	6	CSC[C@H](C)NC(=O)c1cccc(CC(=O)[O-])c1
349533721	ZINC000621228313	ref	5.14	-13.7	0	297.317	2.277	1	3	7	CC(C)(CNC(=O)COC[C@H]1CCCO1)CC(F)(F)F
342600214	ZINC000590847515	ref	1.54	-14.3	0	293.352	1.925	2	6	5	CSCCNC(=O)Nc1ccc(-c2nc(C)no2)nc1
398247512	ZINC000356343173	ref	4.66	-6.09	0	215.293	0.953	1	4	7	CC[C@@H](NC[C@@H](OC)C1CC1)C(=O)OC
190492657	ZINC000269419078	ref	6.16	-6.94	0	296.754	2.298	1	4	5	CCOC(=O)c1cnc(C(=O)NC[C@@H]2C[C@@H]2C)c(Cl)c1
349533723	ZINC000621227752	ref	3.59	-15.68	0	276.258	2.496	2	2	4	CC(C)(CNC(=O)c1cccc(=O)[nH]1)CC(F)(F)F
398247515	ZINC000356343173	low	5.25	-37.74	1	215.293	0.953	1	3	7	CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)C(=O)OC
124847246	ZINC000013987652	ref	9.45	-19.44	0	482.562	2.474	2	8	7	CCN(C(=O)CSc1ccc2c(c1)OCCCO2)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
349533729	ZINC000621227869	ref	3.27	-7.77	0	267.291	2.386	2	2	4	CC(C)(CNC(=O)C1(O)CCCC1)CC(F)(F)F
349533734	ZINC000621228644	ref	6.97	-10.6	0	277.29	2.368	1	3	6	CC(C)(CNC(=O)CCn1ccnc1)CC(F)(F)F
342600215	ZINC000616998264	ref	4.01	-35.67	1	270.417	1.774	3	2	5	CCC[C@@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600216	ZINC000616998264	mid	4.02	-36.21	1	270.417	1.774	3	2	5	CCC[C@@](C)(O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
282121049	ZINC000151614771	ref	3.06	-13.23	0	309.341	2.473	3	3	4	CO[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)c(NC(C)=O)c1
197600275	ZINC000290114301	ref	1.0	-11.25	0	268.298	1.599	2	6	5	COCc1nc(CNC(=O)Nc2ccon2)cs1
342600217	ZINC000197403439	ref	3.56	-52.6	-1	291.394	1.916	1	5	5	CC(C)(C)C[C@@H](NS(=O)(=O)c1ccsc1)C(=O)[O-]
214179221	ZINC000337609379	ref	5.8	-43.82	1	277.755	2.257	3	1	4	O=C(NCC[NH+]1CCC1)c1cc2ccc(Cl)cc2[nH]1
214179226	ZINC000337609379	mid	2.63	-8.45	0	277.755	2.257	2	2	4	O=C(NCCN1CCC1)c1cc2ccc(Cl)cc2[nH]1
342600218	ZINC000616998504	ref	5.77	-37.53	1	282.428	1.774	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1
342600219	ZINC000616998504	mid	5.84	-37.83	1	282.428	1.774	3	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@](C)(O)C2CC2)C1
214179230	ZINC000337609391	ref	6.49	-8.31	0	297.349	3.162	1	3	4	CC(C)Nc1ccc(C(=O)N2CCCC[C@H]2C(F)F)cn1
342600220	ZINC000590848482	ref	5.89	-13.67	0	270.296	1.543	2	5	2	N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc2ncnn2c1
365626731	ZINC000354688962	mid	6.21	-43.44	1	297.443	1.67	3	2	7	CCC(=O)N[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(CC)CC)C1
199273307	ZINC000294964809	ref	3.59	-47.71	1	287.306	1.952	2	3	6	CC[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)[C@H](O)C(F)F
365626736	ZINC000354688962	mid	5.69	-44.61	1	297.443	1.67	3	2	7	CCC(=O)N[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(CC)CC)C1
199273309	ZINC000294964809	high	2.38	-8.79	0	287.306	1.952	2	4	6	CC[C@H](NCc1ccc2c(c1)OCCO2)[C@H](O)C(F)F
342600221	ZINC000616998507	ref	5.97	-39.53	1	282.428	1.774	3	2	5	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1
365626743	ZINC000354691096	ref	3.4	-10.34	0	288.388	1.282	3	4	9	CCOC(=O)CC[C@H](C)NC(=O)NC[C@H](CO)C(C)C
365626747	ZINC000354689569	ref	0.58	-10.02	0	258.362	1.263	3	3	8	COCC1(NC(=O)NCCC[C@@H](C)CO)CCC1
365626755	ZINC000354691208	ref	7.74	-7.62	0	292.379	1.87	0	4	5	CCO[C@@H]1C[C@H](N(C)C(=O)C(=O)c2cccn2C)C1(C)C
342600222	ZINC000616998507	mid	5.93	-38.95	1	282.428	1.774	3	2	5	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C[C@](C)(O)C2CC2)C1
214179234	ZINC000337608347	ref	4.37	-46.07	1	295.383	2.084	3	3	6	COc1cc(NC(=O)NC[C@@H](C)[NH+](C)C)c(C)c(OC)c1
214179235	ZINC000337608347	high	2.1	-10.67	0	295.383	2.084	2	4	6	COc1cc(NC(=O)NC[C@@H](C)N(C)C)c(C)c(OC)c1
365638932	ZINC000625087664	high	5.71	-53.48	-1	318.417	2.469	1	3	5	CCCC(=O)NC[C@@H]1CCCN(C(=O)c2c(C)cccc2[O-])C1
342600223	ZINC000590848502	ref	7.33	-18.81	0	284.323	1.887	1	5	1	C[C@@]1(C#N)CCCN(C(=O)Nc2ccc3ncnn3c2)C1
214179239	ZINC000337606339	ref	0.41	-18.99	0	264.272	0.918	2	3	7	NC(=O)CCCC(=O)N[C@@H]1CCC[C@H]1OC(F)F
214179242	ZINC000337606822	ref	7.42	-8.69	0	288.351	3.454	1	5	3	Cc1sc2ncnc(NCc3ccc(F)cn3)c2c1C
365626740	ZINC000122291293	ref	5.98	-42.61	1	263.385	2.054	1	3	6	CC[C@@H](C)C[NH2+]Cc1cccnc1N1CCOCC1
398247509	ZINC000651455819	ref	10.16	-102.11	2	290.426	3.221	2	0	5	C[C@H]([NH2+]C1(Cc2ccc(F)cc2)CC1)C1CC[NH+](C)CC1
398247511	ZINC000651456001	ref	8.66	-14.28	0	274.339	3.231	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCc2cccc(F)c21
178296212	ZINC000082791369	ref	2.38	-73.09	0	251.282	0.096	3	4	4	O=C([O-])c1cccc2c1CC[N@@H+](C[C@H](O)CO)C2
365626748	ZINC000122299672	ref	7.01	-42.76	1	272.396	2.391	1	3	4	C1=CC[C@H](C[NH2+][C@@H]2CCCN(c3cccnn3)C2)CC1
365626756	ZINC000122190661	ref	8.04	-40.47	1	259.353	2.227	2	2	4	C=CC[N@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1
178296214	ZINC000082791369	mid	2.36	-67.99	0	251.282	0.096	3	4	4	O=C([O-])c1cccc2c1CC[N@H+](C[C@H](O)CO)C2
178296217	ZINC000082791369	mid	0.06	-59.07	-1	251.282	0.096	2	5	4	O=C([O-])c1cccc2c1CCN(C[C@H](O)CO)C2
365626761	ZINC000122190661	mid	8.28	-34.58	1	259.353	2.227	2	2	4	C=CC[N@@H+]1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1
342085447	ZINC000625354367	ref	3.4	-33.23	1	257.374	1.416	2	3	4	C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOC1CCOCC1
365626765	ZINC000122190661	high	5.79	-12.16	0	259.353	2.227	1	3	4	C=CCN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1
342085448	ZINC000625354367	high	1.31	-4.36	0	257.374	1.416	1	4	4	C[C@@H]1CC(O)C[C@@H](C)N1CCOC1CCOCC1
342085449	ZINC000625354836	ref	5.41	-4.38	0	266.385	1.963	1	2	4	C=CC(C)(C)CCNC(=O)C(=O)N1CCC(C)CC1
365626768	ZINC000122213726	ref	5.41	-10.37	0	259.33	2.094	0	2	3	C#CCN(C)S(=O)(=O)c1cccc2ccccc12
342085450	ZINC000625354912	ref	6.96	-5.89	0	264.369	1.814	0	2	2	C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2CCCC2)C1
282121051	ZINC000449151023	mid	5.54	-96.26	2	280.412	2.037	3	2	9	C[C@@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@H]1CO
178296226	ZINC000082790627	ref	2.25	-53.84	1	265.737	1.99	1	2	4	C[C@H](CC[NH3+])S(=O)(=O)c1ccc(F)c(Cl)c1
342085451	ZINC000625353976	ref	3.81	-39.94	1	294.395	1.196	3	4	9	COCC[N@@H+](Cc1cccnc1)C[C@H](O)CC1(O)CCC1
342085452	ZINC000625353976	mid	3.79	-40.68	1	294.395	1.196	3	4	9	COCC[N@H+](Cc1cccnc1)C[C@H](O)CC1(O)CCC1
342085453	ZINC000625353976	mid	1.56	-5.61	0	294.395	1.196	2	5	9	COCCN(Cc1cccnc1)C[C@H](O)CC1(O)CCC1
342085454	ZINC000625354068	ref	4.35	-10.39	0	294.395	1.174	1	3	2	C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@H](O)C2)C1
342085455	ZINC000608948276	ref	4.69	-10.83	0	267.329	1.089	1	5	6	CCn1nc(C)c(CNC(=O)CCC(=O)OC)c1C
342085456	ZINC000625354078	ref	3.62	-6.31	0	292.379	1.321	2	3	5	CC[C@H](NC(=O)C(=O)N(C)CCO)c1cc(C)ccc1C
178296216	ZINC000032818554	ref	6.02	-12.19	0	230.311	3.461	2	1	1	Cc1cc2cc(NC(=O)C(C)(C)C)ccc2[nH]1
178296220	ZINC000095631052	ref	6.21	-4.51	0	222.085	3.306	0	1	0	Cc1cc2ccc(Br)cc2cn1
178296227	ZINC000362270715	ref	7.74	-9.86	0	248.289	3.487	2	3	2	Cc1cc2cc(Nc3ncccc3C#N)ccc2[nH]1
178296239	ZINC000011634015	ref	5.77	-4.76	0	221.691	2.791	2	2	0	Cc1cc2cc(Cl)cc(C)c2[nH]c1=NN
349533722	ZINC000602429552	ref	9.03	-41.48	1	208.349	2.904	1	1	4	C[C@@H](CCC#N)C[N@@H+]1C[C@@H](C)C[C@@H](C)C1
190492662	ZINC000269421731	ref	2.04	-14.3	0	286.335	0.987	2	5	5	Cc1cncc(/C=C/C(=O)NC[C@H](O)c2cnn(C)c2)c1
349533725	ZINC000602429552	mid	9.13	-42.08	1	208.349	2.904	1	1	4	C[C@@H](CCC#N)C[N@H+]1C[C@@H](C)C[C@@H](C)C1
178296244	ZINC000032099323	ref	5.64	-6.83	0	206.676	3.087	1	2	0	Cc1cc2ccc(Cl)c(C)c2nc1N
398247513	ZINC000381284423	ref	2.66	-5.46	0	228.361	2.294	1	3	7	CC[C@@H](C)[C@H](C[NH2+]Cc1nccs1)OC
178296251	ZINC000000002226	ref	8.39	-11.93	0	228.247	3.464	0	3	0	Cc1cc2cc3c(C)cc(=O)oc3c(C)c2o1
178296256	ZINC000004093516	ref	8.67	-7.32	0	242.347	3.776	0	3	2	Cc1cc2ccc(C)c(C)c2nc1SCC#N
178296264	ZINC000127541184	ref	4.83	-35.12	1	247.338	3.081	2	2	4	Cc1cc2cc([C@H](C)[NH2+][C@@H](C)CO)oc2cc1C
178296268	ZINC000127541184	high	3.73	-7.01	0	247.338	3.081	2	3	4	Cc1cc2cc([C@H](C)N[C@@H](C)CO)oc2cc1C
178296270	ZINC000334145251	ref	4.57	-11.49	0	231.299	3.006	3	1	2	Cc1cc2cc[nH]c2cc1NC(=O)NC(C)C
349533730	ZINC000602429797	ref	3.89	-43.97	1	223.32	1.185	2	2	7	CCC(C#N)(CC)C(=O)NCC[NH2+]C1CC1
349533737	ZINC000602430129	ref	10.34	-44.5	1	230.355	3.448	1	1	7	CC[N@@H+](Cc1ccccc1)C[C@H](C)CCC#N
349533743	ZINC000602430129	mid	9.95	-43.7	1	230.355	3.448	1	1	7	CC[N@H+](Cc1ccccc1)C[C@H](C)CCC#N
349533748	ZINC000602429237	ref	3.67	-48.3	1	241.222	0.683	2	3	5	C[NH2+]CCNC(=O)c1c(F)cccc1[N+](=O)[O-]
349533756	ZINC000602429553	ref	9.04	-41.22	1	208.349	2.904	1	1	4	C[C@H]1C[C@@H](C)C[N@H+](C[C@H](C)CCC#N)C1
365626741	ZINC000274330354	low	2.29	-34.38	1	266.341	1.062	2	4	5	COc1ccc(C[N@H+]2CCOC[C@@H]2C[C@H](C)O)nc1
197600277	ZINC000290114612	ref	3.16	-13.61	0	297.742	2.18	0	6	7	COCCOCc1noc(Cc2ccc(C)nc2Cl)n1
342600224	ZINC000590849162	ref	0.12	-11.63	0	269.37	1.554	3	4	3	Cc1nc(CNC(=O)N[C@H]2CCCC[C@@H]2O)cs1
342600225	ZINC000590847185	ref	4.42	-41.41	1	297.443	1.711	4	2	6	C[NH+](C)C1(CNC(=O)NC[C@H](O)C2CC2)CCCCCC1
349533761	ZINC000602429553	mid	9.12	-42.07	1	208.349	2.904	1	1	4	C[C@H]1C[C@@H](C)C[N@@H+](C[C@H](C)CCC#N)C1
398247516	ZINC000381284423	mid	2.66	-5.46	0	228.361	2.294	1	4	7	CC[C@@H](C)[C@H](CNCc1nccs1)OC
197600283	ZINC000290114118	ref	4.91	-13.21	0	277.349	2.371	1	5	6	O=C(NCCCc1nccs1)c1conc1C1CC1
342600226	ZINC000616998174	ref	5.39	-37.41	1	293.415	1.538	2	4	5	CCCn1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nn1
342600227	ZINC000616998174	mid	5.34	-37.3	1	293.415	1.538	2	4	5	CCCn1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)nn1
342600228	ZINC000590847487	ref	1.46	-19.44	0	286.295	1.721	2	6	4	Cc1noc(-c2ccc(NC(=O)NC[C@H](C)C#N)cn2)n1
178296218	ZINC000237080424	ref	4.24	-54.13	1	363.849	1.974	2	5	6	CO[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1cccc(Cl)c1
214179223	ZINC000053369949	ref	3.92	-14.15	0	348.449	2.325	1	4	3	NS(=O)(=O)c1cc(C(=O)N2CC=C(c3ccccc3)CC2)cs1
365626749	ZINC000643088274	ref	2.53	-62.4	1	290.335	1.216	1	2	3	C[C@@H]1[C@@H]([NH3+])CCN1S(=O)(=O)Cc1ccc(F)cc1F
365626754	ZINC000172846117	ref	1.54	-17.78	0	295.364	1.843	1	6	5	Cc1ccc(NCc2nc(CS(C)(=O)=O)no2)c(C)c1
342600229	ZINC000616998036	ref	2.13	-39.99	1	251.33	1.525	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnco2)C1
342600230	ZINC000616998036	mid	2.19	-40.27	1	251.33	1.525	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cnco2)C1
290623319	ZINC000378616576	ref	4.9	-21.04	0	290.367	0.819	1	3	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N=c3ccn(C)[nH]3)C2)C1
214179227	ZINC000053373299	ref	9.27	-46.03	1	328.46	2.658	2	3	8	CC[NH+](CC)Cc1ccccc1CNC(=O)Cn1nc(C)cc1C
365626758	ZINC000643088300	ref	4.59	-53.72	1	296.436	1.922	1	2	4	CCc1cccc(CC)c1S(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C
365626762	ZINC000158181850	ref	4.28	-54.29	1	299.147	1.729	1	3	4	[NH3+]CCc1cn(Cc2ccc(F)c(Br)c2)nn1
365626770	ZINC000172852097	ref	6.76	-55.07	1	289.379	1.526	3	2	6	NC(=O)NC(=O)CCC[N@@H+]1CC[C@@H](Cc2ccccc2)C1
365626773	ZINC000172852097	mid	6.77	-55.61	1	289.379	1.526	3	2	6	NC(=O)NC(=O)CCC[N@H+]1CC[C@@H](Cc2ccccc2)C1
197600294	ZINC000290117221	ref	3.52	-8.69	0	278.385	0.902	0	7	3	Cc1csc(N2CCN(Cc3cnn(C)n3)CC2)n1
342600231	ZINC000590848258	ref	5.91	-20.02	0	256.269	1.107	1	5	1	CC1(C#N)CN(C(=O)Nc2ccc3ncnn3c2)C1
365638934	ZINC000625085493	ref	9.88	-45.91	1	302.397	2.451	1	3	5	Cn1cc(CC[NH+]2CCC(Cc3cccc(F)c3)CC2)nn1
214179231	ZINC000053357613	ref	7.75	-20.37	0	332.364	2.169	2	6	5	Cc1cc(NC(=O)CSc2nc[nH]n2)n(-c2ccccc2F)n1
365639641	ZINC000576612638	ref	4.49	-9.38	0	221.304	1.635	2	2	4	C[C@H]1C[C@@H]1CNC(=O)NCC1(C#N)CCC1
197600298	ZINC000290117018	ref	0.65	-9.01	0	275.757	1.474	2	3	5	C=C[C@@H](CO)NS(=O)(=O)c1cc(Cl)ccc1C
178296222	ZINC000237072337	ref	4.4	-62.43	1	352.456	1.166	1	4	5	CN(C(=O)CC[S@](=O)c1ccc2c(c1)OCCO2)C1CC[NH2+]CC1
178296225	ZINC000237081109	ref	2.39	-42.45	1	354.472	1.449	1	4	6	COCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])cc1
192339912	ZINC000081926455	mid	1.62	-14.12	0	311.384	1.951	1	6	4	N[C@@H](CS(=O)(=O)c1cccs1)c1ccc2c(c1)OCO2
192339915	ZINC000081925614	ref	5.52	-6.99	0	302.44	2.254	1	4	2	C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCSC(C)(C)C1
299072499	ZINC000459277735	ref	7.91	-10.2	0	306.381	2.925	1	2	4	CO[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccc(F)cc2)C12CCC2
185091321	ZINC000096080629	ref	5.17	-15.24	0	262.313	0.349	1	3	2	CC(C)N1C[C@@H]2CN(C(=O)c3c[nH]cn3)C[C@@H]2C1=O
178296229	ZINC000237074245	ref	10.98	-61.27	-1	357.41	1.843	0	6	7	COCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2C)c2c1CCC2
192339918	ZINC000081928073	ref	6.29	-11.81	0	321.402	2.616	0	6	4	CC1(C)CN(C(=O)CCc2nc(-c3ccco3)no2)CCS1
342600232	ZINC000590848298	ref	5.82	-20.08	0	270.296	1.545	2	5	4	N#CCC1(CNC(=O)Nc2ccc3ncnn3c2)CC1
398247514	ZINC000651455774	ref	8.16	-40.06	1	277.383	3.448	1	1	5	CO[C@@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C1
178296231	ZINC000237074932	ref	4.15	-47.56	1	351.472	1.199	2	3	6	C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1
178296233	ZINC000237081397	ref	2.17	-52.77	1	355.504	1.611	3	3	9	CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1
178296236	ZINC000237081397	high	1.87	-11.59	0	355.504	1.611	3	4	9	CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)NCC(C)C)cc1
398247518	ZINC000651455772	ref	7.99	-42.82	1	277.383	3.448	1	1	5	CO[C@H]1CCC[C@@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C1
178296242	ZINC000237077097	ref	4.37	-57.89	1	369.487	1.444	1	4	5	C[NH2+]CC1CCN(C(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)CC1
178296246	ZINC000237075672	ref	7.69	-59.66	-1	352.406	1.911	0	5	7	CC[C@@H](C)N(CC(=O)[O-])CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
178296248	ZINC000237075672	mid	8.84	-48.54	0	352.406	1.911	1	4	7	CC[C@@H](C)[N@H+](CC(=O)[O-])CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
192339921	ZINC000081924337	ref	2.39	-52.97	1	301.408	1.917	1	4	5	COc1ccc([C@@H]([NH3+])CS(=O)(=O)C(C)(C)C)cc1OC
192339924	ZINC000081924337	mid	1.98	-14.81	0	301.408	1.917	1	5	5	COc1ccc([C@@H](N)CS(=O)(=O)C(C)(C)C)cc1OC
192339927	ZINC000081922945	ref	3.2	-11.21	0	307.346	2.06	1	4	2	N[C@H]1c2ccccc2OC[C@H]1S(=O)(=O)c1ccccc1F
365626750	ZINC000617396421	mid	6.78	-47.63	1	282.384	0.735	1	3	3	CC[N@H+]1CCO[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365626753	ZINC000617399122	ref	2.77	-13.16	0	252.314	0.15	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CNC(=O)C2)CCO1
214179224	ZINC000293503382	mid	2.47	-17.65	0	360.393	0.826	3	5	3	O=C(N[C@H]1CCN(c2ccccc2F)C1)N1CC[C@@](O)(c2c[nH]nn2)C1
365626760	ZINC000617400253	ref	1.55	-13.7	0	277.324	0.755	2	3	3	C[C@]1(C2CC2)CN(C(=O)c2c[nH]c(C(N)=O)c2)CCO1
214179228	ZINC000293494620	ref	2.61	-19.88	0	359.452	0.417	1	6	7	COCCCn1ccc(NC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)n1
365626766	ZINC000617396234	ref	4.83	-12.97	0	257.33	0.677	0	4	6	COCCOCC(=O)N1CCO[C@](C)(C2CC2)C1
365626772	ZINC000617399616	ref	2.34	-5.93	0	266.341	0.669	1	3	3	C[C@]1(C2CC2)CN(C(=O)C2(C(N)=O)CCC2)CCO1
365626776	ZINC000617395086	ref	3.11	-12.72	0	289.397	0.695	0	4	4	C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@@](C)(C2CC2)C1
365626783	ZINC000617396680	ref	4.29	-8.87	0	264.329	0.765	0	5	2	Cc1c(C(=O)N2CCO[C@@](C)(C3CC3)C2)nnn1C
136228722	ZINC000285184581	ref	5.87	-3.94	0	226.345	3.045	0	4	6	C=C(C)CCc1noc([C@H](C)CSC)n1
299072500	ZINC000446193701	ref	7.66	-9.2	0	279.384	3.346	1	3	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)c1ccon1
342085457	ZINC000625354329	ref	3.9	-5.63	0	258.362	1.175	1	3	7	CCC[C@H](CNC(=O)C(=O)N(C)C(C)C)OCC
185091323	ZINC000096080629	mid	4.9	-13.92	0	262.313	0.349	1	3	2	CC(C)N1C[C@@H]2CN(C(=O)c3cnc[nH]3)C[C@@H]2C1=O
185091325	ZINC000096081687	ref	4.02	-4.68	0	287.407	1.685	0	4	4	Cc1cccc(CN2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)n1
185091327	ZINC000096081687	mid	5.79	-31.79	1	287.407	1.685	1	3	4	Cc1cccc(CN2C[C@@H]3OCC[N@H+](CC4CC4)[C@@H]3C2)n1
342085458	ZINC000625354508	ref	3.04	-5.9	0	293.411	1.132	2	2	3	O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)C(=O)N1CCCC1
342085459	ZINC000625354508	mid	6.03	-38.68	1	293.411	1.132	2	2	3	O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)C(=O)N1CCCC1
342085460	ZINC000625354508	high	3.04	-5.9	0	293.411	1.132	1	3	3	O=C(NC[C@@H]1CCN1C1CCCCC1)C(=O)N1CCCC1
342085461	ZINC000625354691	ref	4.33	-9.24	0	266.366	1.977	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)c2ccc(C)nc2)C1
342085462	ZINC000625354692	ref	4.32	-9.49	0	266.366	1.977	0	3	4	C=CC[C@H]1CCN(S(=O)(=O)c2ccc(C)nc2)C1
342085463	ZINC000625354343	ref	3.58	-35.13	1	256.39	1.382	3	2	3	C[C@H]1C[C@H](O)C[C@@H](C)[N@@H+]1CC(=O)NCC(C)(C)C
342085464	ZINC000625354343	mid	3.11	-35.56	1	256.39	1.382	3	2	3	C[C@H]1C[C@H](O)C[C@@H](C)[N@H+]1CC(=O)NCC(C)(C)C
365626752	ZINC000336545735	ref	6.28	-15.46	0	284.359	2.258	1	3	2	CCn1cc(C(=O)N2C[C@H](O)C3(CC3)C2)c2ccccc21
365626757	ZINC000336546073	ref	4.13	-16.97	0	282.315	2.395	1	3	3	COc1cc(C)c(NC(=O)N2CC(C)(OC)C2)cc1F
365626763	ZINC000336546082	ref	4.95	-12.57	0	291.825	2.383	0	3	1	C[C@@H]1CN(C(=O)c2ccc(Cl)s2)C[C@@H](C)S1=O
398247517	ZINC000356345809	ref	5.33	-8.5	0	242.363	2.243	1	2	5	CCC[C@H](CNC(=O)N1CCC[C@@H](C)C1)OC
306234556	ZINC000557851677	ref	4.62	-42.4	1	331.464	1.048	3	3	5	CN1CC[N@H+](C)C[C@H]1CNC(=O)NCC1(c2ccccn2)CCC1
398247520	ZINC000356344617	ref	4.91	-114.65	2	248.37	2.536	2	1	6	CCC[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)OC
398247522	ZINC000356344617	mid	3.44	-47.8	1	248.37	2.536	2	2	6	CCC[C@H](CN[C@H]1C[C@@H]([NH3+])c2ccccc21)OC
398247526	ZINC000356344617	high	4.6	-37.87	1	248.37	2.536	2	2	6	CCC[C@H](C[NH2+][C@H]1C[C@@H](N)c2ccccc21)OC
199273314	ZINC000294964803	ref	6.85	-13.25	0	285.322	2.388	1	3	3	O=C(NC1(c2cccc(F)c2)CC1)c1cnn2c1CCC2
214179232	ZINC000293504935	ref	3.19	-19.71	0	359.342	0.999	2	7	6	COc1ccc(NC(=O)C(=O)NCCc2nccnc2C)cc1[N+](=O)[O-]
365626767	ZINC000336545924	ref	4.84	-15.46	0	273.357	2.498	1	3	1	O=C(c1cccc2ccsc12)N1C[C@@H](O)C2(CC2)C1
214179238	ZINC000293491456	ref	1.65	-9.85	0	355.398	0.912	1	6	4	O=C(NCc1nnc(C2CC2)o1)C(=O)N1CCN(c2ccccc2)CC1
190597648	ZINC000270095598	ref	4.66	-10.89	0	279.384	1.693	2	3	7	CC(C)COCCCNC(=O)[C@@H]1CCc2n[nH]cc2C1
214179245	ZINC000293501109	ref	2.43	-49.46	0	362.423	0.512	3	5	7	COC(=O)c1cc(S(=O)(=O)NC[C@@](C)(O)C[NH+](C)C)c(F)cc1C
342085465	ZINC000625354343	mid	1.45	-7.77	0	256.39	1.382	2	3	3	C[C@H]1C[C@H](O)C[C@@H](C)N1CC(=O)NCC(C)(C)C
342085466	ZINC000625354374	ref	6.75	-37.66	1	295.427	1.376	2	2	4	CC(C)N(C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1
342085467	ZINC000625354374	mid	6.34	-38.2	1	295.427	1.376	2	2	4	CC(C)N(C)C(=O)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1
214179250	ZINC000293501109	high	2.43	-49.46	0	362.423	0.512	2	5	7	COC(=O)c1cc(S(=O)(=O)[N-]C[C@@](C)(O)C[NH+](C)C)c(F)cc1C
214179255	ZINC000293488902	ref	2.6	-15.53	0	373.409	0.984	2	5	2	CC1([C@H]2CCCN(C(=O)c3ccc4c(c3)NC(=O)CNC4=O)C2)OCCO1
214179259	ZINC000293489243	ref	3.06	-18.71	0	363.414	0.681	3	5	9	CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@H](OC)C2CC2)c1
365626771	ZINC000336546215	ref	3.79	-6.95	0	293.164	2.282	1	3	1	N#Cc1cc(Br)ccc1N1C[C@H](O)C2(CC2)C1
192339913	ZINC000421439538	ref	6.7	-9.47	0	245.313	2.974	1	1	3	CC1CCC(CNC(=O)[C@]2(C)CC2(F)F)CC1
342085468	ZINC000625354374	high	3.36	-5.1	0	295.427	1.376	1	3	4	CC(C)N(C)C(=O)C(=O)NC[C@@H]1CCN1C1CCCCC1
192339917	ZINC000421443110	ref	6.83	-8.53	0	245.322	2.502	1	2	5	CCOc1ccccc1CNC(=O)[C@@H]1CC12CC2
192339920	ZINC000421442835	ref	8.47	-6.83	0	248.37	3.25	0	2	3	CC[C@@H](C)N(C)C(=O)c1ccc(C(C)(C)C)cn1
192339922	ZINC000421441518	ref	6.43	-11.68	0	234.343	2.477	1	2	3	CC(C)[C@](C)(C#N)NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1
192339926	ZINC000421440961	ref	9.48	-9.42	0	247.313	2.627	0	1	4	CN(CCc1ccc(F)cc1)C(=O)[C@@H]1CC12CC2
192339929	ZINC000421442774	ref	8.13	-5.67	0	235.371	3.262	1	1	2	CC1(NC(=O)[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1
192339932	ZINC000421439765	ref	5.71	-9.87	0	219.275	2.584	1	1	5	CC(C)CCCNC(=O)[C@]1(C)CC1(F)F
192339936	ZINC000421441178	ref	6.68	-9.38	0	245.322	2.673	1	2	4	COc1cccc([C@H](C)NC(=O)[C@@H]2CC23CC3)c1
342085469	ZINC000625354366	ref	3.11	-33.01	1	257.374	1.416	2	3	4	C[C@H]1CC(O)C[C@H](C)[NH+]1CCOC1CCOCC1
192339939	ZINC000421445291	ref	5.69	-7.37	0	245.191	2.443	0	1	3	CN(CCC(F)(F)F)C(=O)[C@]1(C)CC1(F)F
192339942	ZINC000421444071	ref	7.56	-8.95	0	245.322	3.132	1	2	4	CCOc1ccc(NC(=O)[C@H]2CC23CC3)c(C)c1
398247519	ZINC000649442192	ref	8.39	-7.78	0	244.338	3.574	0	3	5	CCCCOc1ccccc1-c1cn(C)nc1C
342085470	ZINC000625354366	high	0.96	-5.72	0	257.374	1.416	1	4	4	C[C@H]1CC(O)C[C@H](C)N1CCOC1CCOCC1
178296243	ZINC000082790994	ref	2.49	-54.5	1	292.198	1.962	1	2	5	[NH3+]CCCCS(=O)(=O)c1cccc(Br)c1
342085471	ZINC000625354474	ref	6.66	-36.0	1	295.427	1.378	2	2	6	CCCCN(C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1
342085472	ZINC000625354474	mid	6.6	-37.31	1	295.427	1.378	2	2	6	CCCCN(C)C(=O)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1
192339945	ZINC000421444338	ref	4.67	-8.43	0	223.316	1.575	1	2	3	O=C(NC[C@@H]1CCOC1)[C@@H]1CC[C@@H]2C[C@@H]2C1
342085473	ZINC000625354474	high	3.53	-5.64	0	295.427	1.378	1	3	6	CCCCN(C)C(=O)C(=O)NC[C@H]1CCN1C1CCCC1
342085474	ZINC000625354377	ref	2.9	-5.35	0	296.411	1.302	2	3	3	CC1(C)CCC[C@@H]1CCNC(=O)C(=O)N1CCC[C@H](O)C1
192339948	ZINC000421445100	ref	5.65	-8.86	0	216.284	1.878	1	2	2	O=C(Nc1ccncc1)[C@@H]1CC[C@@H]2C[C@@H]2C1
349533724	ZINC000621486942	ref	6.71	-10.42	0	291.354	3.138	2	3	3	C[C@@H](NC(=O)c1ccc(N)nc1)c1ccc2ccccc2c1
192339951	ZINC000421441846	ref	2.94	-9.97	0	207.22	1.184	1	2	5	CCOCCNC(=O)[C@]1(C)CC1(F)F
192339953	ZINC000421442229	ref	7.18	-6.78	0	219.328	2.649	1	1	3	O=C(NC[C@@H]1CC=CCC1)[C@@]12CCC[C@@H]1C2
178296249	ZINC000237075672	mid	9.06	-44.52	0	352.406	1.911	1	4	7	CC[C@@H](C)[N@@H+](CC(=O)[O-])CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1
178296252	ZINC000237076606	ref	1.29	-47.69	1	367.265	1.434	1	4	6	COc1cc(Br)c(S(=O)(=O)N(C)[C@H](C)C[NH3+])cc1OC
365626774	ZINC000336545876	ref	5.99	-11.54	0	277.339	2.303	1	2	3	C[C@H](CC(=O)N1C[C@H](O)C2(CC2)C1)c1ccccc1F
365626777	ZINC000336545628	ref	5.41	-16.95	0	285.796	2.322	0	2	1	C[C@H]1CN(C(=O)c2ccc(Cl)cc2)C[C@@H](C)[S@@]1=O
365626780	ZINC000336545673	ref	5.82	-10.27	0	259.349	2.163	1	2	3	C[C@H](CC(=O)N1C[C@@H](O)C2(CC2)C1)c1ccccc1
365626782	ZINC000336545664	ref	4.45	-10.75	0	290.75	2.418	2	2	1	O=C(c1cc2ccc(Cl)cc2[nH]1)N1C[C@@H](O)C2(CC2)C1
365626785	ZINC000336546089	ref	4.35	-11.99	0	297.405	2.04	1	4	3	O=S(=O)(c1c[nH]cn1)N1CCC(c2ccsc2)CC1
365626787	ZINC000336546228	ref	7.68	-10.24	0	299.292	2.284	0	2	3	O=C(Cc1cc(F)c(F)cc1F)N1CCO[C@H](C2CC2)C1
230742026	ZINC000414360825	ref	11.44	-41.51	1	312.461	3.289	1	3	4	CN(C)c1ncc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)n1C
230742027	ZINC000414360825	low	11.85	-100.46	2	312.461	3.289	1	2	4	CN(C)c1[nH+]cc(C[NH2+][C@@H]2c3ccccc3CCC2(C)C)n1C
398247521	ZINC000651455464	ref	8.48	-6.95	0	282.453	3.102	1	2	2	CC(C)[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)CCS1
178296254	ZINC000237081467	ref	5.57	-46.47	1	359.474	1.737	1	5	6	C[NH2+]C[C@@H]1CCCN1C(=O)CCc1c(C)nc2c(c(OC)nn2C)c1C
230742028	ZINC000414360825	high	10.62	-7.75	0	312.461	3.289	1	4	4	CN(C)c1ncc(CN[C@@H]2c3ccccc3CCC2(C)C)n1C
365626791	ZINC000336545620	ref	4.7	-11.22	0	289.726	2.267	2	4	3	Cn1cc(CNC(=O)Nc2ccc(C#N)cc2Cl)cn1
178296257	ZINC000237076724	ref	4.84	-52.13	1	356.81	1.338	3	4	8	C[NH2+]CCNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C
178296260	ZINC000237068865	ref	9.13	-43.89	1	359.47	1.514	1	3	6	C[NH2+]C[C@@H]1CCCN1C(=O)C1CCN(C(=O)COc2ccccc2)CC1
178296263	ZINC000237072436	ref	2.67	-49.78	1	362.293	1.627	1	3	4	CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@H]2C[NH3+])c1
365626794	ZINC000336546000	ref	4.68	-9.53	0	265.74	2.245	1	2	1	Cc1ccc(Cl)cc1C(=O)N1C[C@@H](O)C2(CC2)C1
365626798	ZINC000336546087	ref	3.89	-37.51	1	251.374	2.242	1	3	3	Cc1nc(C(C)C)oc1CN1CC[N@H+](C)C[C@H]1C
365626802	ZINC000336546087	mid	3.49	-38.29	1	251.374	2.242	1	3	3	Cc1nc(C(C)C)oc1CN1CC[N@@H+](C)C[C@H]1C
365626804	ZINC000336546087	mid	1.1	-5.4	0	251.374	2.242	0	4	3	Cc1nc(C(C)C)oc1CN1CCN(C)C[C@H]1C
214179241	ZINC000053358082	ref	5.9	-24.72	0	341.371	1.12	1	4	3	CN1CC(=O)N(CC(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C1=O
214179247	ZINC000053372387	ref	8.83	-21.04	0	346.475	2.141	0	4	3	Cc1cc(C)n(CC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)n1
349533726	ZINC000093235847	mid	5.41	-48.16	1	276.384	0.848	1	3	4	C[C@H](c1cccnc1)N(C)CC(=O)N1CC[NH+](C)CC1
349533728	ZINC000093235847	low	7.35	-95.09	2	276.384	0.848	2	2	4	C[C@H](c1cccnc1)[N@H+](C)CC(=O)N1CC[NH+](C)CC1
282123584	ZINC000533474096	ref	3.41	-11.38	0	292.335	1.101	1	5	3	COC(=O)c1ccc(C(=O)N2CCC[C@@H]([C@H](C)O)C2)cn1
365626778	ZINC000122272592	ref	4.84	-46.74	1	266.41	2.484	2	2	3	CC(C)([NH3+])CNC(=O)c1cc2c(s1)CCCCC2
365626784	ZINC000122277289	ref	6.46	-16.12	0	290.411	2.34	0	4	3	CN(C(=O)CC(C)(C)C)[C@@H]1CCCN(c2cccnn2)C1
185091329	ZINC000096081687	mid	6.16	-38.31	1	287.407	1.685	1	3	4	Cc1cccc(CN2C[C@@H]3OCC[N@@H+](CC4CC4)[C@@H]3C2)n1
365626790	ZINC000122184067	ref	5.7	-11.47	0	266.385	2.084	1	2	4	CCC[C@@H]1C(=O)NCCN1C(=O)CC1CCCCC1
365626795	ZINC000122247509	ref	6.04	-11.45	0	280.412	2.474	1	2	4	CCC[C@@H]1C(=O)NCCN1C(=O)CC1CCCCCC1
185091331	ZINC000096081687	mid	6.25	-32.21	1	287.407	1.685	1	3	4	Cc1cccc(C[N@@H+]2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)n1
342085475	ZINC000625354732	ref	5.89	-44.5	1	274.43	1.556	1	2	8	C=CC[C@H]1CCN(S(=O)(=O)CC[NH+](CC)CC)C1
197600321	ZINC000162919926	ref	8.44	-15.12	0	312.364	3.0	1	3	6	CN(Cc1nccn1C(F)F)C(=O)NCC1(C2CC2)CCC1
299072502	ZINC000567665847	high	7.57	-8.4	0	272.392	2.218	1	2	5	C[C@@H]1[C@@H](Cc2ccccc2)CCN1C(=O)CNC1CC1
214179258	ZINC000053360782	ref	12.22	-17.44	0	347.443	4.017	0	5	4	Cn1ccc(CSc2nc3ccccc3n2-c2ccccc2)cc1=O
342085476	ZINC000625354732	mid	3.75	-8.81	0	274.43	1.556	0	3	8	C=CC[C@H]1CCN(S(=O)(=O)CCN(CC)CC)C1
342085477	ZINC000625354706	ref	4.41	-11.47	0	261.387	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](CC)OC)C1
342085478	ZINC000625354669	ref	3.79	-7.86	0	289.788	1.66	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2c(Cl)cnn2C)C1
342085479	ZINC000625354847	ref	5.84	-10.8	0	284.4	1.52	0	3	6	CCCCN(C)C(=O)C(=O)N1CCC(CCOC)CC1
342085480	ZINC000625354378	ref	2.93	-5.33	0	296.411	1.302	2	3	3	CC1(C)CCC[C@H]1CCNC(=O)C(=O)N1CCC[C@@H](O)C1
342088584	ZINC000121567511	low	8.1	-42.94	1	268.32	1.573	1	3	4	Cc1cc(C#N)ccc1C(=O)NCCc1c[nH+]cn1C
342088585	ZINC000121544177	ref	6.95	-14.13	0	289.383	1.732	1	5	6	CCn1nc(C(C)C)cc1C(=O)NCCc1cncn1C
342085481	ZINC000625355114	ref	6.82	-5.23	0	298.427	1.622	0	3	6	CC(C)CN(CC(C)C)C(=O)C(=O)N(C)CC1(C)COC1
342085482	ZINC000625355414	ref	4.16	-5.69	0	294.395	1.726	1	4	9	COCC[N@H+](CCOC1CCOCC1)Cc1cccnc1
214179243	ZINC000278477998	ref	4.88	-16.33	0	324.446	1.639	1	3	5	CCS(=O)(=O)NCC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C
214179246	ZINC000278478268	ref	3.8	-8.85	0	318.373	1.731	2	4	5	C=CCOc1cccc(NC(=O)C(=O)N[C@H]2CCOC[C@@H]2C)c1
214179249	ZINC000278476256	ref	5.4	-14.89	0	315.373	3.301	3	3	6	CCNC(=O)Nc1ccc(C)c(NC(=O)CCc2ccco2)c1
342085483	ZINC000625355414	mid	5.57	-42.32	1	294.395	1.726	1	4	9	COCC[N@@H+](CCOC1CCOCC1)Cc1cccnc1
214179254	ZINC000278477456	ref	5.64	-23.23	0	311.359	1.543	0	6	6	COc1cc(OC(=O)CS(=O)(=O)CC(C)C)ccc1C#N
214179257	ZINC000278476240	ref	4.7	-9.64	0	304.369	3.276	1	5	6	Cc1nc(F)ccc1CN[C@H](c1nc(C2CC2)no1)C(C)C
214179260	ZINC000278476240	low	5.87	-50.25	1	304.369	3.276	1	4	6	Cc1nc(F)ccc1C[NH2+][C@H](c1nc(C2CC2)no1)C(C)C
214179263	ZINC000278476833	ref	5.97	-12.95	0	302.374	3.4	2	4	7	CC(C)Oc1cc(O)ccc1NC(=O)CCCn1cccc1
214179266	ZINC000278477439	ref	1.13	-10.53	0	313.285	1.397	3	5	5	O=C(Nc1ccc([N+](=O)[O-])cc1F)N[C@@]1(CCO)CCOC1
214179270	ZINC000278478270	ref	6.56	-9.29	0	315.369	2.416	1	4	3	CN(C(=O)c1cc2ccccc2c(=O)o1)C1CCC(CO)CC1
214179274	ZINC000278477306	ref	4.48	-48.47	1	315.36	2.869	2	3	8	CCOC1CC(O)(C[NH2+][C@@H](C)c2cccc(OC(F)F)c2)C1
398247523	ZINC000381282195	ref	0.87	-92.62	2	213.325	0.228	3	1	3	CC(C)[C@@H]([NH3+])C(=O)N[C@H]1CCC[NH2+]CC1
214179278	ZINC000278477366	ref	-0.39	-10.45	0	323.871	1.407	2	4	5	NS(=O)(=O)NC[C@H]1CCCN(Cc2sccc2Cl)C1
214179281	ZINC000278477366	mid	1.54	-44.77	1	323.871	1.407	3	3	5	NS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2sccc2Cl)C1
214179283	ZINC000278477366	mid	1.84	-44.64	1	323.871	1.407	3	3	5	NS(=O)(=O)NC[C@H]1CCC[N@@H+](Cc2sccc2Cl)C1
214179287	ZINC000278478122	ref	9.23	-9.51	0	322.796	2.168	0	5	7	COC[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCn1cncn1
214179291	ZINC000278477954	ref	4.26	-9.71	0	305.802	2.77	2	3	6	CC[C@@H](SC)C(=O)NC[C@@H](O)c1cc(F)cc(Cl)c1
214179295	ZINC000278477921	ref	5.77	-14.64	0	312.341	2.64	2	4	4	Cc1nc(NC(=O)[C@H](C)O)sc1Cc1ccc(F)cc1F
346818974	ZINC000589950897	ref	10.47	-17.6	0	285.391	3.218	0	3	5	CC[C@@H]1CCCN1C(=O)CCCn1cnc2ccccc21
398247525	ZINC000381282195	high	0.57	-43.51	1	213.325	0.228	3	2	3	CC(C)[C@@H](N)C(=O)N[C@H]1CCC[NH2+]CC1
192339916	ZINC000273862475	ref	6.02	-9.62	0	297.362	3.141	0	6	3	Cn1nnc2cc(-c3nc(CC4CCCCC4)no3)ccc21
365626781	ZINC000625045894	ref	1.94	-11.84	0	305.465	2.446	2	4	7	CCC(C)(C)CS(=O)(=O)N[C@H](CO)c1sccc1C
365626786	ZINC000625045897	ref	2.03	-10.61	0	305.465	2.446	2	4	7	CCC(C)(C)CS(=O)(=O)N[C@@H](CO)c1sccc1C
365626789	ZINC000625049917	ref	6.58	-12.59	0	319.43	2.295	0	4	3	Cc1ncc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@H]2C)n1C
365626793	ZINC000625045766	ref	5.56	-33.74	1	318.461	2.385	3	3	7	C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)CC1(O)CCC1
342085484	ZINC000625355414	mid	4.16	-5.69	0	294.395	1.726	0	5	9	COCCN(CCOC1CCOCC1)Cc1cccnc1
342085485	ZINC000625355886	ref	3.26	-17.39	0	287.319	1.371	1	5	6	COc1ccc(COCC(=O)Nc2ccncc2C)cn1
342085486	ZINC000625355886	low	3.72	-42.47	1	287.319	1.371	1	4	6	COc1ccc(COCC(=O)Nc2cc[nH+]cc2C)cn1
342085487	ZINC000625356034	ref	3.06	-12.96	0	255.343	1.007	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2ccn(C)n2)C1
342085488	ZINC000625355502	ref	3.82	-10.37	0	261.387	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)[C@H](C)CCOC)C1
342085489	ZINC000625355922	ref	4.8	-10.48	0	275.414	1.887	0	3	8	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](C)COCC)C1
342085490	ZINC000625355613	ref	4.01	-8.55	0	269.37	1.315	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2c(C)cnn2C)C1
342085491	ZINC000625355467	ref	4.07	-5.94	0	282.384	1.178	1	3	3	CC1CCN(C(=O)C(=O)NCC[C@H]2CCCOC2)CC1
342085492	ZINC000625355261	ref	6.6	-4.13	0	278.396	1.797	1	2	2	CC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1
342085493	ZINC000625355860	ref	4.97	-6.61	0	296.411	1.256	1	3	5	CCCCN(CC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1
342085494	ZINC000625355143	ref	5.61	-5.68	0	266.385	1.941	1	2	3	CC1(C)CCC[C@@H]1CCNC(=O)C(=O)N1CCCC1
192339923	ZINC000273862325	ref	7.61	-8.8	0	260.341	2.803	0	5	4	C[C@H]1CCCC[C@H]1c1noc(CCn2ccnc2)n1
342085495	ZINC000625355505	ref	3.82	-10.22	0	261.387	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)[C@@H](C)CCOC)C1
398247524	ZINC000651456023	ref	8.45	-6.69	0	252.402	3.397	1	1	5	CC[C@H](C)CN(CC)C(=O)NC1CC2(CCC2)C1
398247528	ZINC000651455107	ref	7.68	-8.69	0	290.329	3.303	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC(C(F)(F)F)CC1
342085496	ZINC000625356175	ref	5.75	-29.89	1	284.444	1.578	2	3	7	CCO[C@H](CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CC1
342085497	ZINC000625356175	mid	5.12	-29.72	1	284.444	1.578	2	3	7	CCO[C@H](CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1CC1
398249362	ZINC000069839134	mid	0.59	-103.26	2	229.324	-0.75	3	2	5	C[C@@H]([NH3+])CCC(=O)N1CC[NH+](CCO)CC1
365626788	ZINC000617397682	ref	6.47	-13.7	0	280.368	0.882	0	3	4	CN(CC(=O)N1CCO[C@@](C)(C2CC2)C1)C(=O)C1CC1
342600233	ZINC000590848480	ref	5.7	-20.12	0	270.296	1.543	2	5	2	N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc2ncnn2c1
342600234	ZINC000616998048	ref	5.15	-40.84	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
197600311	ZINC000290115976	ref	4.96	-11.7	0	286.331	3.255	1	5	3	CC(C)(C)c1cnc(CNc2cccc3c2COC3=O)o1
342600235	ZINC000616998048	mid	5.1	-40.47	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365626792	ZINC000617394566	ref	5.31	-18.85	0	293.371	0.824	0	6	4	CC(C)c1nnnn1CC(=O)N1CCO[C@@](C)(C2CC2)C1
342600236	ZINC000616998047	ref	5.31	-40.1	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600237	ZINC000616998047	mid	5.31	-40.69	1	268.401	1.648	2	2	3	C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
185091333	ZINC000096081687	mid	6.49	-33.99	1	287.407	1.685	1	3	4	Cc1cccc(C[N@H+]2C[C@@H]3OCCN(CC4CC4)[C@@H]3C2)n1
342600238	ZINC000590848450	ref	4.53	-14.74	0	251.315	1.214	2	5	4	CSCCNC(=O)Nc1ccc2ncnn2c1
342600239	ZINC000616998545	ref	8.38	-84.66	2	295.471	1.955	3	1	4	CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1
342600240	ZINC000616998545	mid	8.29	-84.51	2	295.471	1.955	3	1	4	CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1
214179244	ZINC000337607519	ref	4.17	-18.87	0	292.335	0.952	1	4	5	COc1cccc(N2C[C@@H](NC(=O)[C@@H](C)OC)CC2=O)c1
365626797	ZINC000617394403	ref	1.82	-5.87	0	257.33	0.411	1	4	4	COC[C@](C)(O)C(=O)N1CCO[C@@](C)(C2CC2)C1
214179248	ZINC000337608242	ref	4.99	-12.3	0	268.357	2.326	1	4	7	CC[C@H](C(=O)N[C@@H](C)CCOC)c1c(C)noc1C
214179251	ZINC000337608437	ref	4.39	-90.93	2	283.416	0.602	3	2	7	CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1CCC1
282121052	ZINC000174638822	high	5.45	-16.09	0	318.425	0.779	1	5	1	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]3CC[C@@H](C1)N3C)CC2
214179253	ZINC000337608437	mid	1.22	-38.09	1	283.416	0.602	2	3	7	CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN1CCC1
398247527	ZINC000356345578	ref	6.57	-35.46	1	213.365	2.97	1	1	6	CCC[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)OC
290623320	ZINC000368077600	ref	4.59	-7.5	0	263.341	1.291	1	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)C3=NNC(=O)CC3)C2)C1
342600241	ZINC000616998545	mid	6.2	-38.03	1	295.471	1.955	2	2	4	CC1CCN(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1
197600325	ZINC000290114540	ref	2.43	-11.13	0	286.784	2.73	3	3	5	C=C[C@@H](CO)NC(=O)Nc1ccc(SC)c(Cl)c1
365639648	ZINC000576613366	ref	1.69	-9.14	0	213.277	0.707	1	3	2	C[C@H]1C[C@H](C(=O)N[C@H]2CCCOC2)CO1
192339925	ZINC000273862325	low	8.13	-37.21	1	260.341	2.803	0	4	4	C[C@H]1CCCC[C@H]1c1noc(CCn2cc[nH+]c2)n1
192339928	ZINC000273863625	ref	7.87	-14.02	0	299.334	2.285	0	7	6	CC(C)OCCc1nc(-c2cccc(-n3cncn3)c2)no1
192339931	ZINC000273862967	ref	8.34	-5.76	0	257.381	3.32	1	3	4	Cc1cc(N(C)C)cc(C)c1NCc1ccn(C)c1
192339933	ZINC000273862967	mid	9.16	-32.11	1	257.381	3.32	2	2	4	Cc1cc([NH+](C)C)cc(C)c1NCc1ccn(C)c1
178296267	ZINC000237068991	ref	5.44	-55.76	1	368.275	1.779	2	2	5	CN(C(=O)CCNC(=O)c1ccc(Br)cc1)C1CC[NH2+]CC1
192339935	ZINC000273861454	ref	2.99	-15.38	0	254.286	1.678	0	4	4	C[S@@](=O)Cc1noc(Cc2ccccc2F)n1
192339938	ZINC000273864520	ref	5.65	-12.08	0	291.391	2.358	2	3	5	CC[C@@H](OC)C(=O)NC1CCC(O)(c2ccccc2)CC1
342085498	ZINC000625356175	mid	4.16	-3.24	0	284.444	1.578	2	3	7	CCO[C@H](C[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C)C1CC1
342085499	ZINC000625356175	mid	5.12	-29.72	1	284.444	1.578	2	3	7	CCO[C@H](C[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C)C1CC1
178296271	ZINC000237074761	ref	5.65	-54.99	1	360.437	1.598	2	5	7	CN(CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1F
178296274	ZINC000237070007	ref	6.27	-89.2	2	362.522	1.833	3	4	6	CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1
192339947	ZINC000273863173	ref	5.13	-15.32	0	292.266	1.99	0	6	4	COc1cc(-c2noc(C[C@H]3COC(=O)C3)n2)ccc1F
192339949	ZINC000273863458	ref	5.88	-10.27	0	285.303	2.885	1	5	4	COC(=O)C[C@@H](C)c1nc(-c2ccc3cc[nH]c3c2)no1
178296278	ZINC000237070007	mid	6.24	-89.04	2	362.522	1.833	3	4	6	CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1
178296280	ZINC000237079966	ref	7.88	-47.66	1	355.533	1.234	1	6	4	CCc1nsc(N2CCCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)n1
178296283	ZINC000237079966	high	6.84	-12.16	0	355.533	1.234	1	7	4	CCc1nsc(N2CCCN(C(=O)C[C@H]3CSCCN3)CC2)n1
365626796	ZINC000625045766	mid	5.39	-34.1	1	318.461	2.385	3	3	7	C[N@H+](Cc1ccccc1N1CCCC1)C[C@@H](O)CC1(O)CCC1
192339952	ZINC000273863263	ref	2.24	-18.61	0	285.394	1.888	0	6	6	Cc1nc(CCCc2nc(C[S@@](C)=O)no2)cs1
192339956	ZINC000273863728	ref	0.22	-14.46	0	297.351	0.527	2	5	9	COCCCOc1ccc(C(=O)N(C)C[C@H](O)CO)cc1
192339960	ZINC000273861431	ref	8.06	-13.15	0	282.347	3.206	0	5	5	C[C@@H](CCc1nc(-c2nccn2C)no1)c1ccccc1
192339963	ZINC000273861345	ref	10.24	-36.18	1	291.395	2.036	1	4	5	CCOC(=O)c1cccnc1N(C)CC1CC[NH+](C)CC1
178296276	ZINC000003874004	ref	4.77	-22.45	1	237.306	3.169	2	2	0	Cc1cc2cc3cc(C)c(N)cc3[nH+]c2cc1N
365626799	ZINC000625045766	high	2.87	-4.61	0	318.461	2.385	2	4	7	CN(Cc1ccccc1N1CCCC1)C[C@@H](O)CC1(O)CCC1
178296281	ZINC000003874004	high	4.39	-12.87	0	237.306	3.169	2	3	0	Cc1cc2cc3cc(C)c(N)cc3nc2cc1N
365626803	ZINC000625045499	ref	3.15	-14.19	0	320.361	2.144	0	4	5	C[C@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)[C@H]1C
365626808	ZINC000625046511	ref	7.66	-37.41	1	309.498	2.488	2	2	9	CCC[C@@H](C)CCC[NH+]1CCN([C@H](C)C(=O)NC2CC2)CC1
365626813	ZINC000625046511	mid	5.25	-7.03	0	309.498	2.488	1	3	9	CCC[C@@H](C)CCCN1CCN([C@H](C)C(=O)NC2CC2)CC1
365626819	ZINC000625046661	ref	3.86	-42.74	1	315.36	2.386	3	3	8	C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)CC1(O)CCC1
178296285	ZINC000305729055	ref	2.58	-17.15	0	218.256	1.796	3	2	2	Cc1cc2cc(NC(=O)[C@H](C)O)ccc2[nH]1
398247529	ZINC000381281682	ref	4.8	-51.77	1	223.324	1.124	1	4	3	C[C@@H]1[C@@H]([NH2+]Cc2nnnn2C)CCC[C@H]1C
342085500	ZINC000625356175	high	4.16	-3.24	0	284.444	1.578	1	4	7	CCO[C@H](CN1CCN(CC(C)(C)O)C[C@@H]1C)C1CC1
398247530	ZINC000381281682	high	3.63	-8.56	0	223.324	1.124	1	5	3	C[C@@H]1[C@@H](NCc2nnnn2C)CCC[C@H]1C
365626824	ZINC000625046661	mid	3.87	-41.54	1	315.36	2.386	3	3	8	C[N@H+](Cc1ccc(OC(F)F)cc1)C[C@@H](O)CC1(O)CCC1
365626827	ZINC000625046661	high	1.48	-8.66	0	315.36	2.386	2	4	8	CN(Cc1ccc(OC(F)F)cc1)C[C@@H](O)CC1(O)CCC1
365626831	ZINC000625049671	ref	7.72	-10.17	0	310.442	2.299	0	6	6	COC[C@]1(C)CN(c2nnc(C(C)C)n2CC(C)C)CCO1
365626838	ZINC000625047042	ref	7.06	-23.74	0	319.405	2.273	1	3	5	CCN(Cc1occc1C)C(=O)N[C@@H]1CCN(C2CCC2)C1=O
168365534	ZINC000037756582	ref	2.12	-41.73	1	195.266	1.617	1	3	3	C[C@@H]([NH3+])Cc1nc(C2CCCC2)no1
365626843	ZINC000625045881	ref	7.27	-36.78	1	316.405	2.039	1	5	8	COc1ccc(OC)c(C[N@H+](CCc2cn(C)nn2)C2CC2)c1
398247533	ZINC000381286887	ref	4.2	-5.23	0	226.32	2.134	1	3	7	CC[C@H](C)[C@@H](C[NH2+]Cc1cc(C)no1)OC
365626848	ZINC000625045881	mid	7.53	-38.34	1	316.405	2.039	1	5	8	COc1ccc(OC)c(C[N@@H+](CCc2cn(C)nn2)C2CC2)c1
168365537	ZINC000054161572	ref	1.78	-38.32	1	181.239	0.912	1	3	4	C[C@@H]([NH3+])Cc1noc(CC2CC2)n1
342085501	ZINC000625355844	ref	0.96	-10.41	0	275.324	1.617	1	5	4	OC[C@H]1CC(F)(F)CN1Cc1nnc(C2CC2)s1
342085502	ZINC000625355430	ref	4.85	-4.89	0	284.4	1.709	1	3	6	CCC[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C)OCC
178296304	ZINC000011634017	ref	5.84	-5.56	0	201.273	2.446	2	2	0	Cc1ccc2cc(C)c(=NN)[nH]c2c1C
365626800	ZINC000617395361	ref	1.91	-7.95	0	283.372	0.851	2	3	5	CCC[C@@H](NC(N)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
230742048	ZINC000450476400	ref	5.12	-13.99	0	311.403	1.618	0	5	7	CCS(=O)(=O)c1ccc(CN(CC(=O)OC)C2CC2)cc1
342600242	ZINC000616998545	mid	6.12	-37.61	1	295.471	1.955	2	2	4	CC1CCN(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1
365626805	ZINC000617395574	ref	6.14	-12.9	0	264.329	0.765	1	4	4	C[C@]1(C2CC2)CN(C(=O)CCc2nnc[nH]2)CCO1
303960131	ZINC000275713965	ref	5.46	-11.1	0	292.404	2.314	1	4	3	O=C(N[C@H]1CCCO[C@@H]1c1ccncc1)[C@@H]1CCCS1
365626810	ZINC000617395574	mid	5.75	-12.09	0	264.329	0.765	1	4	4	C[C@]1(C2CC2)CN(C(=O)CCc2nc[nH]n2)CCO1
178296286	ZINC000237076915	ref	5.53	-57.38	1	350.85	1.941	2	2	4	C[NH2+]CC1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)CC1
214179267	ZINC000337606980	ref	4.98	-18.08	0	298.346	2.24	3	3	6	O=C(NCCc1ccco1)NCCc1c[nH]c2ncccc12
178296290	ZINC000237081138	ref	1.92	-48.91	1	354.472	1.449	1	4	6	COCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])cc1
342600243	ZINC000616998035	ref	4.34	-53.57	1	277.368	1.637	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1
293080607	ZINC000360653491	ref	3.99	-17.09	0	256.346	0.594	0	3	4	COC[C@H](C)[C@H](C)C(=O)N1CCN(C)C(=O)[C@@H]1C
342600244	ZINC000616998035	mid	4.39	-54.08	1	277.368	1.637	3	2	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2cc[nH]c(=O)c2)C1
178305698	ZINC000035756759	ref	8.96	-44.17	-1	232.283	2.374	0	4	3	Cc1cc2ncn(C[C@@H](C)C(=O)[O-])c2cc1C
365626814	ZINC000617398298	ref	8.35	-18.97	0	294.355	0.906	1	6	6	COC(=O)[C@H](CC1CCCCC1)NC(=O)Cn1cncn1
365626818	ZINC000617394500	ref	1.97	-20.93	0	277.324	0.755	2	3	3	C[C@]1(C2CC2)CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1
365626822	ZINC000617400236	ref	4.63	-23.96	0	277.324	0.271	0	5	3	C[C@@]1(C2CC2)CN(C(=O)Cn2cccnc2=O)CCO1
197600332	ZINC000162919745	ref	3.95	-15.57	0	312.366	1.27	0	4	2	CC1(C)CN(C(=O)/C=C/c2cncc(F)c2)CCS1(=O)=O
214179271	ZINC000337610489	ref	5.0	-11.94	0	298.371	3.402	2	4	3	Cc1csc(-c2ccc(NC(=O)c3cc(C)[nH]n3)cc2)n1
346818976	ZINC000601318536	ref	6.0	-15.12	0	283.349	2.027	0	5	3	COC(=O)[C@]1(C)CCN(C(=O)c2coc(SC)c2)C1
346818981	ZINC000601317026	ref	4.48	-7.87	0	258.369	2.064	0	4	5	CC[C@H](c1ccncc1)N1CCN(CCC#N)CC1
346818987	ZINC000601317026	mid	6.41	-46.87	1	258.369	2.064	1	3	5	CC[C@H](c1ccncc1)[NH+]1CCN(CCC#N)CC1
346818993	ZINC000601317134	ref	7.01	-14.2	0	283.375	2.418	0	3	2	N#C[C@@H]1CCC[C@H](N2CCN(c3ccccc3)C(=O)C2)C1
342600245	ZINC000616998505	ref	5.91	-39.42	1	282.428	1.774	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1
178296291	ZINC000237080589	ref	7.9	-51.84	1	359.499	1.709	1	5	5	CCc1nsc(N2CCCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)n1
178296294	ZINC000237080589	high	7.57	-11.2	0	359.499	1.709	1	6	5	CCc1nsc(N2CCCN(C(=O)[C@H](N)Cc3ccccc3)CC2)n1
214179262	ZINC000053373448	ref	9.51	-49.57	1	340.471	2.802	2	3	6	Cc1cc(C)n(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)n1
214179265	ZINC000053371789	ref	9.1	-22.4	0	346.431	1.15	0	5	7	CCCn1c(=O)n(CCC(=O)N(C)CC(=O)N(C)C)c2ccccc21
342600246	ZINC000616998505	mid	5.96	-39.85	1	282.428	1.774	3	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C[C@](C)(O)C2CC2)C1
342600247	ZINC000590849139	ref	-0.33	-9.1	0	255.343	1.022	3	4	5	Cc1nc(CNC(=O)NC[C@@H](O)C2CC2)cs1
178296297	ZINC000237074351	ref	4.25	-61.72	1	372.263	1.748	2	3	5	CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1
178296302	ZINC000237073272	ref	2.76	-47.02	1	362.293	1.545	2	3	4	CN(C)c1ccc(Br)c(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)c1
178296306	ZINC000237080173	ref	4.35	-51.61	1	367.515	1.421	2	4	7	CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@H](C)C[NH2+]C)CC2)cc1
178296309	ZINC000237072338	ref	8.41	-47.56	-1	351.794	1.878	0	7	7	CC[C@H](C(=O)N(CC)CC(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
178296310	ZINC000237080562	ref	6.18	-48.15	1	370.497	1.331	2	3	4	CN1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)CC1
178296311	ZINC000237080562	mid	8.52	-94.64	2	370.497	1.331	3	2	4	C[NH+]1CCN(C(=O)Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)CC1
178296313	ZINC000237071820	ref	7.84	-56.9	-1	351.794	1.878	0	7	7	CC[C@H](C(=O)N(C)CCC(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
178296314	ZINC000237081094	ref	4.69	-10.14	0	352.489	1.368	1	8	4	CCc1nsc(N2CCCN(C(=O)c3csc(CN)n3)CC2)n1
342600248	ZINC000590847358	ref	3.54	-35.61	1	268.704	1.666	2	4	4	Cn1ccnc1CNC(=O)NCc1ccc(Cl)o1
178296316	ZINC000237081094	mid	5.07	-63.88	1	352.489	1.368	1	7	4	CCc1nsc(N2CCCN(C(=O)c3csc(C[NH3+])n3)CC2)n1
214179269	ZINC000053366725	ref	4.57	-18.78	0	326.828	1.912	2	4	9	CCCNC(=O)CN(CCC)CC(=O)Nc1ccc(Cl)cn1
178296317	ZINC000237081794	ref	7.75	-56.97	1	351.52	1.775	1	5	5	CCc1nsc(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)n1
349533727	ZINC000618812504	ref	5.87	-8.79	0	275.414	1.638	0	5	7	COC(=O)[C@H](COC(C)C)N(C)C[C@H]1CCSC1
365626801	ZINC000122303739	ref	3.74	-5.26	0	265.357	2.269	0	5	5	CCO[C@H]1CCCN(c2cncc(OC(C)C)n2)C1
365626807	ZINC000122312693	ref	4.64	-5.78	0	267.344	2.284	1	3	5	CCOC[C@H](O)CN1CCCc2cc(F)cc(C)c21
342085503	ZINC000625355870	ref	4.08	-5.5	0	282.384	1.32	1	3	3	C[C@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCCOC1
185091335	ZINC000096080698	ref	5.76	-15.16	0	286.36	1.637	0	5	2	O=C1[C@H]2CN(c3nccs3)C[C@H]2CN1c1cccnc1
185091337	ZINC000096081420	ref	3.34	-36.94	1	288.395	0.581	2	3	4	CNC(=O)CN1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1
185091338	ZINC000096081420	mid	4.39	-45.06	1	288.395	0.581	2	3	4	CNC(=O)CN1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1
192339930	ZINC000081922945	mid	3.51	-45.23	1	307.346	2.06	1	3	2	[NH3+][C@H]1c2ccccc2OC[C@H]1S(=O)(=O)c1ccccc1F
365626811	ZINC000122298477	ref	6.72	-7.6	0	293.411	2.072	0	5	5	CCc1nn(C)c(CC)c1CN1CCCC[C@H]1C(=O)OC
192339934	ZINC000081928291	ref	7.66	-14.83	0	322.43	1.982	0	4	3	CC1(C)CN(C(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)CCS1
342085504	ZINC000625356178	ref	5.96	-30.24	1	284.444	1.578	2	3	7	CCO[C@@H](CN1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CC1
192339937	ZINC000081927536	ref	7.82	-21.69	0	320.414	2.611	0	4	2	CC1(C)CN(C(=O)c2cccc(N3CCOC3=O)c2)CCS1
192339940	ZINC000081928242	ref	9.11	-12.71	0	320.414	2.339	0	5	3	CC1(C)CN(C(=O)CCn2c(=O)oc3ccccc32)CCS1
192339943	ZINC000081927857	ref	10.22	-14.95	0	311.397	3.422	0	2	2	CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCS1
365626816	ZINC000122298477	low	8.88	-33.96	1	293.411	2.072	1	4	5	CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@H]1C(=O)OC
342085505	ZINC000625356178	mid	5.37	-29.32	1	284.444	1.578	2	3	7	CCO[C@@H](CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C)C1CC1
365626821	ZINC000122298477	low	8.55	-35.41	1	293.411	2.072	1	4	5	CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1C(=O)OC
365626825	ZINC000122185553	ref	7.44	-5.98	0	284.359	2.266	0	4	3	c1ccc([C@@H]2c3cccn3CCN2CC2OCCO2)cc1
342085506	ZINC000625356178	mid	3.26	-3.32	0	284.444	1.578	2	3	7	CCO[C@@H](C[N@@H+]1CCN(CC(C)(C)O)C[C@@H]1C)C1CC1
342085507	ZINC000625356178	mid	5.37	-29.32	1	284.444	1.578	2	3	7	CCO[C@@H](C[N@H+]1CCN(CC(C)(C)O)C[C@@H]1C)C1CC1
342085508	ZINC000625356178	high	3.26	-3.32	0	284.444	1.578	1	4	7	CCO[C@@H](CN1CCN(CC(C)(C)O)C[C@@H]1C)C1CC1
342085509	ZINC000625355925	ref	4.8	-10.63	0	275.414	1.887	0	3	8	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](C)COCC)C1
342085510	ZINC000625355901	ref	3.88	-5.94	0	294.395	1.008	1	3	1	C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1
290623321	ZINC000335378923	ref	4.44	-48.18	1	293.411	0.975	1	2	0	C[C@H]1CC[C@@]2(CCN(C(=O)C(=O)N3CCC([NH3+])CC3)C2)C1
365626806	ZINC000336545733	ref	4.29	-12.46	0	289.375	2.258	2	3	2	CC[C@]1(O)CCN(C(=O)c2ccc3c(c2O)CCCC3)C1
365626809	ZINC000336545733	high	5.21	-61.58	-1	289.375	2.258	1	3	2	CC[C@]1(O)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1
365626812	ZINC000336545955	ref	6.91	-7.84	0	271.364	2.254	0	4	3	Cc1ccc2ncc(CN3CCO[C@H](C4CC4)C3)n2c1
214179264	ZINC000293490182	ref	5.54	-13.39	0	360.37	0.423	2	7	6	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccnn1-c1ccccc1C)OC
197600331	ZINC000290116818	ref	4.25	-7.33	0	283.196	2.654	1	2	3	COc1c(F)ccc(F)c1C(=O)N[C@@H](C)C(F)(F)F
365626815	ZINC000336545955	low	7.41	-28.15	1	271.364	2.254	0	3	3	Cc1ccc2[nH+]cc(CN3CCO[C@H](C4CC4)C3)n2c1
365626817	ZINC000336545955	low	9.39	-44.05	1	271.364	2.254	1	3	3	Cc1ccc2ncc(C[N@@H+]3CCO[C@H](C4CC4)C3)n2c1
230742080	ZINC000425577890	ref	7.47	-18.45	0	305.3	2.457	0	4	3	Cc1cc2n(n1)[C@H](C(F)(F)F)CCN2C(=O)COC(C)C
342085511	ZINC000625355465	ref	-0.44	-6.28	0	265.357	1.611	2	4	6	COc1cncc(C[N@@H+](C2CCCC2)[C@@H](C)CO)n1
214179272	ZINC000293498176	ref	1.57	-15.08	0	371.484	0.874	2	5	4	CSC[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)C1
230742083	ZINC000425583048	ref	3.92	-11.95	0	316.442	2.205	3	4	8	CC[C@H](CO)NC(=O)NCC(CC)(CC)C(=O)OC(C)(C)C
214179277	ZINC000293496389	ref	1.86	-12.36	0	370.409	0.892	3	5	7	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1ccc(OCCc2ccccc2)nc1
168365791	ZINC000307310130	ref	-0.07	-102.56	2	185.271	-0.327	2	1	2	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C[NH3+]
214179282	ZINC000293491226	ref	6.79	-45.83	1	374.363	0.9	1	5	2	C[C@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C[C@@H](C)N1C
214179286	ZINC000293491226	mid	6.39	-46.26	1	374.363	0.9	2	4	2	C[C@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C[C@@H](C)[N@@H+]1C
214179290	ZINC000293491226	mid	6.39	-46.26	1	374.363	0.9	2	4	2	C[C@H]1CN(C(=O)C(=O)Nc2cccn(CC(F)(F)F)c2=O)C[C@@H](C)[N@H+]1C
214179294	ZINC000293499301	ref	1.65	-11.08	0	365.34	0.851	2	6	3	O=C(Nc1cc(F)cc(F)c1)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1
136228723	ZINC000285189645	ref	2.48	-35.14	1	247.338	2.296	3	2	5	C=CC[C@@H](CO)[NH2+][C@H]1CCCc2c(O)cccc21
342085512	ZINC000625355465	mid	2.01	-33.9	1	265.357	1.611	2	4	6	COc1cncc(C[N@H+](C2CCCC2)[C@@H](C)CO)n1
365626820	ZINC000336545955	low	8.96	-43.12	1	271.364	2.254	1	3	3	Cc1ccc2ncc(C[N@H+]3CCO[C@H](C4CC4)C3)n2c1
136228724	ZINC000285189645	high	1.95	-4.81	0	247.338	2.296	3	3	5	C=CC[C@@H](CO)N[C@H]1CCCc2c(O)cccc21
136228725	ZINC000061758677	ref	5.92	-34.52	1	212.337	1.799	2	1	7	C=C(C)C[N@@H+](CC)CC(=O)N[C@H](C)CC
136228726	ZINC000061758677	mid	6.23	-33.41	1	212.337	1.799	2	1	7	C=C(C)C[N@H+](CC)CC(=O)N[C@H](C)CC
192339946	ZINC000081926266	ref	7.25	-9.78	0	321.446	1.886	0	5	2	CC1(C)CN(C(=O)c2cccnc2N2CCOCC2)CCS1
342085513	ZINC000625355465	high	-0.44	-6.28	0	265.357	1.611	1	5	6	COc1cncc(CN(C2CCCC2)[C@@H](C)CO)n1
365639654	ZINC000576630323	ref	4.67	-39.35	1	241.375	2.085	2	2	7	CCO[C@H]1C[C@@H]([NH2+]C[C@@H](O)CC2CCCC2)C1
214179273	ZINC000053366725	low	6.48	-46.34	1	326.828	1.912	3	3	9	CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(Cl)cn1
214179276	ZINC000053366725	low	6.47	-47.48	1	326.828	1.912	3	3	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(Cl)cn1
197600335	ZINC000290116927	ref	0.62	-13.27	0	287.272	-0.257	1	6	5	COC(=O)[C@@H](CF)NS(=O)(=O)c1cncc(C#N)c1
197600336	ZINC000290116927	high	0.93	-38.48	-1	287.272	-0.257	0	6	5	COC(=O)[C@@H](CF)[N-]S(=O)(=O)c1cncc(C#N)c1
342085514	ZINC000625355927	ref	4.95	-12.68	0	281.381	1.416	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C1
342085515	ZINC000625355484	ref	4.01	-11.56	0	273.398	1.641	0	3	6	C=CC[C@H]1CCN(S(=O)(=O)CC[C@@H]2CCOC2)C1
192339950	ZINC000081927253	ref	6.99	-11.49	0	318.398	1.88	0	4	1	CN1C(=O)c2ccc(C(=O)N3CCSC(C)(C)C3)cc2C1=O
342085516	ZINC000625355351	ref	3.73	-11.11	0	269.37	1.315	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cn(C)nc2C)C1
214179280	ZINC000053363930	ref	6.23	-40.44	1	335.448	2.036	3	3	9	COc1ccc(C)cc1NC(=O)CNC(=O)C[N@H+](C)CCC(C)C
214179285	ZINC000053363930	mid	6.23	-40.47	1	335.448	2.036	3	3	9	COc1ccc(C)cc1NC(=O)CNC(=O)C[N@@H+](C)CCC(C)C
214179288	ZINC000053363930	mid	3.96	-9.54	0	335.448	2.036	2	4	9	COc1ccc(C)cc1NC(=O)CNC(=O)CN(C)CCC(C)C
136228727	ZINC000061758677	mid	3.89	-7.42	0	212.337	1.799	1	2	7	C=C(C)CN(CC)CC(=O)N[C@H](C)CC
342085517	ZINC000625355431	ref	4.82	-4.72	0	284.4	1.709	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1C)OCC
342085518	ZINC000625355829	ref	5.94	-11.7	0	296.411	1.662	0	3	3	COCCC1CCN(C(=O)C(=O)N2CCCC[C@H]2C)CC1
342085519	ZINC000625355977	ref	4.66	-10.14	0	273.398	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)C[C@@H](OC)C2CC2)C1
342085520	ZINC000625355765	ref	4.53	-10.95	0	269.37	1.315	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cnc(C)n2C)C1
342085521	ZINC000625355389	ref	6.32	-12.9	0	270.336	1.518	1	4	2	Cc1cn2c(n1)C[C@H](C(=O)Nc1ccncc1C)CC2
342085522	ZINC000625355323	ref	4.17	-10.4	0	273.398	1.782	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CCO[C@H](C)C2)C1
342085523	ZINC000625357082	ref	5.57	-4.18	0	286.416	1.644	1	3	8	CCCN(CCC)C(=O)C(=O)N(C)CC(O)(CC)CC
342085524	ZINC000625356192	ref	6.68	-3.76	0	278.396	1.94	1	2	2	C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342085525	ZINC000625355059	ref	6.68	-6.11	0	272.348	1.727	1	2	4	CN(Cc1ccccc1)C(=O)C(=O)NCC1CC=CC1
365626823	ZINC000336546197	ref	6.11	-11.63	0	283.375	2.365	2	1	3	O=C1CCCN1[C@H]1CC[N@H+](Cc2cccc3cc[nH]c23)C1
342085526	ZINC000625355554	ref	5.72	-8.14	0	291.395	1.651	1	3	4	Cc1ccc(C(C)(C)CNC(=O)C(=O)N(C)C(C)C)nc1
342085527	ZINC000625356055	ref	2.37	-10.75	0	258.368	1.73	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cscn2)C1
342085528	ZINC000625355743	ref	4.89	-11.22	0	284.4	1.254	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1CCC(C)CC1
342085529	ZINC000625355544	ref	3.72	-14.85	0	287.363	1.447	2	3	3	Cc1cnccc1NC(=O)[C@@]1(C2CCCC2)CCNC1=O
365626826	ZINC000336546197	mid	8.48	-48.52	1	283.375	2.365	2	1	3	O=C1CCCN1[C@H]1CC[N@@H+](Cc2cccc3cc[nH]c23)C1
342085530	ZINC000625355544	low	4.18	-40.84	1	287.363	1.447	2	2	3	Cc1c[nH+]ccc1NC(=O)[C@@]1(C2CCCC2)CCNC1=O
342085531	ZINC000625356054	ref	2.39	-10.36	0	258.368	1.73	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cscn2)C1
365626829	ZINC000336546197	high	6.11	-11.63	0	283.375	2.365	1	2	3	O=C1CCCN1[C@H]1CCN(Cc2cccc3cc[nH]c23)C1
365626833	ZINC000336546259	ref	1.26	-6.17	0	278.299	2.119	1	4	2	O[C@H]1CN(Cc2nc(C(F)(F)F)cs2)CC12CC2
342085532	ZINC000625355847	ref	5.72	-6.02	0	270.373	1.13	0	3	6	CCCCN(CC)C(=O)C(=O)N(C)CC1(C)COC1
342085533	ZINC000077939278	ref	3.23	-9.73	0	287.363	1.911	3	4	6	CC(C)CNC(=O)CNc1nc2ccccc2cc1CO
178305700	ZINC000035756759	low	9.44	-48.72	0	232.283	2.374	0	3	3	Cc1cc2[nH+]cn(C[C@@H](C)C(=O)[O-])c2cc1C
342085534	ZINC000625355433	ref	4.69	-4.7	0	284.4	1.709	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1C)OCC
342085535	ZINC000625355976	ref	4.66	-10.03	0	273.398	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](OC)C2CC2)C1
342085536	ZINC000625355877	ref	5.31	-20.35	0	298.268	1.974	1	4	3	Cc1cnccc1NC(=O)Cn1cc(C)c(C(F)(F)F)n1
342085537	ZINC000625355877	low	5.77	-45.14	1	298.268	1.974	1	3	3	Cc1c[nH+]ccc1NC(=O)Cn1cc(C)c(C(F)(F)F)n1
342085538	ZINC000625355907	ref	3.88	-8.93	0	269.37	1.49	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2ccnn2CC)C1
342600249	ZINC000590847358	low	3.54	-35.61	1	268.704	1.666	2	3	4	Cn1cc[nH+]c1CNC(=O)NCc1ccc(Cl)o1
398247531	ZINC000651456442	ref	9.42	-10.55	0	284.403	3.203	1	1	3	O=C(NC1CC2(CCC2)C1)N1CC(Cc2ccccc2)C1
342600250	ZINC000616998154	ref	6.08	-39.63	1	291.395	1.534	3	2	3	Cc1c[nH]cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1=O
365626828	ZINC000617397615	ref	6.08	-37.45	1	295.427	0.651	1	3	4	CC[NH+]1CCN(CC(=O)N2CCO[C@](C)(C3CC3)C2)CC1
365626832	ZINC000617397615	mid	3.69	-7.84	0	295.427	0.651	0	4	4	CCN1CCN(CC(=O)N2CCO[C@](C)(C3CC3)C2)CC1
365626835	ZINC000617398575	ref	3.04	-12.07	0	289.335	0.822	1	4	3	C[C@@]1(C2CC2)CN(C(=O)c2ccc(C(N)=O)cn2)CCO1
342600251	ZINC000616998154	mid	6.01	-39.69	1	291.395	1.534	3	2	3	Cc1c[nH]cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1=O
214179275	ZINC000337609349	ref	8.24	-10.31	0	277.412	3.3	0	3	5	CCCC[C@H](C)C(=O)N1CCCC[C@@H]1c1cnn(C)c1
342600252	ZINC000590847913	ref	7.38	-13.68	0	295.379	1.913	0	4	4	COC(=O)CN(C(=O)C1=CC[C@@H](C)CC1)C1CCOCC1
197600344	ZINC000162928516	ref	6.22	-11.82	0	305.353	2.8	1	4	6	CC(C)n1nccc1C(=O)NC[C@H](C)Oc1ccccc1F
192339954	ZINC000081924339	ref	2.35	-53.68	1	301.408	1.917	1	4	5	COc1ccc([C@H]([NH3+])CS(=O)(=O)C(C)(C)C)cc1OC
199273316	ZINC000294962404	ref	9.26	-28.76	0	268.267	2.268	1	4	3	Cc1ccn2c(NC(=O)[C@@H](C)C(C)(F)F)nnc2c1
342600253	ZINC000616998323	ref	5.78	-37.57	1	283.46	1.953	3	1	6	CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
398247537	ZINC000651456906	ref	7.13	-8.76	0	293.436	3.221	1	3	4	C[C@@H](CN(C)C(=O)NC1CC2(CCC2)C1)c1nccs1
342600254	ZINC000616998323	mid	7.73	-81.4	2	283.46	1.953	3	1	6	CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
197600351	ZINC000162924281	ref	5.0	-19.64	0	306.406	2.349	2	3	8	CCC(CC)(NC(=O)COc1cccc(C(C)C)c1)C(N)=O
342600255	ZINC000616998323	high	5.83	-38.08	1	283.46	1.953	2	2	6	CCC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
199273318	ZINC000294964298	ref	5.48	-11.45	0	291.347	2.218	1	4	4	C[C@@H]1CCO[C@@H]1C(=O)Nc1ccccc1O[C@H]1CCOC1
342600256	ZINC000616998323	high	5.78	-37.57	1	283.46	1.953	2	2	6	CCC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
259308975	ZINC000229339715	mid	9.76	-39.52	1	245.366	3.298	1	1	4	Cc1ccc(C(=O)CC[N@H+]2C[C@@H](C)C[C@H]2C)cc1
398247541	ZINC000651457182	ref	6.86	-38.72	1	259.393	3.062	2	1	5	C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCC1(CO)CC1
398247544	ZINC000651455775	ref	8.02	-43.07	1	277.383	3.448	1	1	5	CO[C@@H]1CCC[C@H]([NH2+]C2(Cc3ccc(F)cc3)CC2)C1
168365536	ZINC000368507599	mid	5.71	-48.79	1	333.378	3.196	3	2	5	O[C@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](CC[C@@H](O)c2ccccc2)C1
365626830	ZINC000122185553	low	9.09	-31.55	1	284.359	2.266	1	3	3	c1ccc([C@@H]2c3cccn3CC[N@H+]2CC2OCCO2)cc1
365639663	ZINC000576612636	ref	4.43	-9.34	0	221.304	1.635	2	2	4	C[C@H]1C[C@H]1CNC(=O)NCC1(C#N)CCC1
178296318	ZINC000191998363	ref	3.33	-51.31	1	245.326	2.398	3	1	3	Cc1cc2cc(NC(=O)[C@H](C)[C@@H](C)[NH3+])ccc2[nH]1
178296320	ZINC000011634006	ref	3.63	-7.54	0	231.255	1.6	2	4	0	Cc1cc2cc3c(cc2[nH]c1=NN)OCCO3
192339955	ZINC000081924339	mid	2.01	-13.77	0	301.408	1.917	1	5	5	COc1ccc([C@H](N)CS(=O)(=O)C(C)(C)C)cc1OC
342085539	ZINC000625355906	ref	3.93	-8.72	0	269.37	1.49	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2ccnn2CC)C1
178296324	ZINC000352615997	ref	7.03	-12.75	0	242.322	3.461	2	1	3	Cc1cc2cc(NC(=O)C[C@H]3C[C@@H]3C)ccc2[nH]1
398247532	ZINC000356344613	ref	7.19	-102.43	2	242.407	2.266	2	1	8	CCC[C@H](C[NH2+]C1CC[NH+](CCC)CC1)OC
398247534	ZINC000356344613	mid	4.84	-36.19	1	242.407	2.266	1	2	8	CCC[C@H](C[NH2+]C1CCN(CCC)CC1)OC
178296330	ZINC000336478063	ref	2.55	-22.06	0	231.255	2.34	3	2	3	Cc1cc2cc[nH]c2cc1NC(=O)CC(N)=O
299072503	ZINC000459277347	ref	9.26	-11.03	0	310.438	2.938	1	3	5	CCC[C@H](NC(=O)N1CC[C@H](C(=O)OC)[C@@H]1C)C1CCCC1
178296333	ZINC000000349154	ref	6.68	-4.14	0	201.052	4.048	0	1	0	Cc1cc2cc(Cl)cc(Cl)c2o1
342085540	ZINC000625356147	ref	5.49	-10.76	0	284.315	1.981	1	4	2	Cc1cnccc1NC(=O)[C@@]1(C)COc2ccccc2O1
342085541	ZINC000625356147	low	5.95	-35.83	1	284.315	1.981	1	3	2	Cc1c[nH+]ccc1NC(=O)[C@@]1(C)COc2ccccc2O1
342085542	ZINC000625355975	ref	5.1	-10.17	0	273.398	1.639	0	3	7	C=CC[C@H]1CCN(S(=O)(=O)C[C@H](OC)C2CC2)C1
168365538	ZINC000368507599	mid	4.41	-7.81	0	333.378	3.196	2	3	5	O[C@H]1C[C@@H](c2ccc(F)c(F)c2)N(CC[C@@H](O)c2ccccc2)C1
192339958	ZINC000081928167	ref	7.71	-13.51	0	320.374	2.439	1	5	2	CC1(C)CN(C(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CCS1
192339961	ZINC000081928167	mid	7.28	-8.88	0	320.374	2.439	1	5	2	CC1(C)CN(C(=O)c2[nH]nc3ccc([N+](=O)[O-])cc23)CCS1
192339964	ZINC000081922856	ref	6.66	-36.94	1	305.374	2.485	1	2	3	C[NH2+][C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1F
192339967	ZINC000081922856	mid	5.17	-11.51	0	305.374	2.485	1	3	3	CN[C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)c1ccccc1F
342085543	ZINC000625355343	ref	2.96	-9.3	0	282.365	1.677	0	4	5	C=CC[C@H]1CCN(S(=O)(=O)c2cncc(OC)c2)C1
365626834	ZINC000122185553	low	8.42	-30.62	1	284.359	2.266	1	3	3	c1ccc([C@@H]2c3cccn3CC[N@@H+]2CC2OCCO2)cc1
230742086	ZINC000414362413	ref	6.94	-11.93	0	311.389	3.062	1	6	5	Cc1coc(-c2cccc(NCc3cnc(N(C)C)n3C)c2)n1
230742089	ZINC000414362413	mid	7.41	-35.12	1	311.389	3.062	1	5	5	Cc1coc(-c2cccc(NCc3c[nH+]c(N(C)C)n3C)c2)n1
185091339	ZINC000096081420	low	5.91	-118.54	2	288.395	0.581	3	2	4	CNC(=O)C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2C1
185091341	ZINC000096081420	low	6.13	-108.91	2	288.395	0.581	3	2	4	CNC(=O)C[N@H+]1CC[C@@H]2C[NH+](Cc3ccncc3)C[C@@H]2C1
365626836	ZINC000122274946	ref	7.24	-14.49	0	290.411	2.484	0	4	6	CCCCCC(=O)N(C)[C@H]1CCCN(c2cccnn2)C1
178296319	ZINC000237081017	ref	2.32	-49.99	1	354.472	1.449	1	4	6	COCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])cc1
178296321	ZINC000237075782	ref	3.73	-62.03	1	358.236	1.358	2	3	5	CN(CC(=O)N[C@H]1CCC[C@H]1C[NH3+])C(=O)c1ccc(Br)o1
178296323	ZINC000237072393	ref	3.89	-57.28	1	359.43	1.54	2	6	7	CCOc1cc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)ccc1OC
185091343	ZINC000096081420	low	5.97	-113.12	2	288.395	0.581	3	2	4	CNC(=O)C[NH+]1CC[C@@H]2C[N@H+](Cc3ccncc3)C[C@@H]2C1
178296326	ZINC000237081004	ref	4.49	-50.03	1	355.385	1.476	2	3	7	C[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1
230742095	ZINC000414360884	ref	7.67	-50.27	1	324.327	3.334	1	4	5	Cc1noc(C)c1C[C@@H](C)[NH2+]Cc1cccc2c1OC(F)(F)O2
230742097	ZINC000414360884	high	6.85	-12.26	0	324.327	3.334	1	5	5	Cc1noc(C)c1C[C@@H](C)NCc1cccc2c1OC(F)(F)O2
178296328	ZINC000237079061	ref	7.28	-47.61	1	360.483	1.757	2	4	7	C[NH2+]C[C@@H]1CCCN1C(=O)CCSCc1nc2ccccc2c(=O)[nH]1
365626840	ZINC000122180189	ref	4.3	-19.08	0	261.325	2.148	1	4	5	CCOc1ncccc1C(=O)N[C@](C)(C#N)C(C)C
365626847	ZINC000122326392	ref	6.3	-40.0	1	284.444	2.287	2	2	8	COCC[N@H+](C)CCNC(=O)C[C@@H]1CCCCC1(C)C
365626852	ZINC000122326392	mid	6.32	-40.28	1	284.444	2.287	2	2	8	COCC[N@@H+](C)CCNC(=O)C[C@@H]1CCCCC1(C)C
178296329	ZINC000237076852	ref	5.68	-47.89	1	368.275	1.779	2	2	6	C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)c1ccc(Br)cc1
178296331	ZINC000237079019	ref	4.9	-53.76	1	351.472	1.298	1	3	4	C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(N3CCCS3(=O)=O)c2)C1
365626854	ZINC000122326392	high	3.87	-8.74	0	284.444	2.287	1	3	8	COCCN(C)CCNC(=O)C[C@@H]1CCCCC1(C)C
365626837	ZINC000336546213	ref	5.76	-50.62	1	257.255	2.061	1	2	2	O[C@H]1CN(Cc2cc(F)c(F)c(F)c2)CC12CC2
365626839	ZINC000336546213	low	5.75	-50.48	1	257.255	2.061	2	1	2	O[C@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)CC12CC2
178296332	ZINC000237080543	ref	4.52	-53.63	1	361.421	1.768	2	5	6	CO[C@@H](CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C)c1ccc(F)cc1
290623322	ZINC000414187486	ref	6.26	-9.32	0	264.756	3.354	1	2	0	C[C@H]1CC[C@@]2(C1)Nc1ccc(Cl)cc1C(=O)N2C
178296334	ZINC000237069591	ref	4.24	-57.12	1	372.263	1.748	2	3	5	CN(CC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C(=O)c1ccc(Br)o1
365626841	ZINC000336546213	low	5.76	-50.62	1	257.255	2.061	2	1	2	O[C@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)CC12CC2
342085544	ZINC000625355923	ref	4.8	-10.63	0	275.414	1.887	0	3	8	C=CC[C@H]1CCN(S(=O)(=O)C[C@H](C)COCC)C1
365626844	ZINC000336546162	ref	7.97	-36.18	1	283.375	2.137	2	3	3	Cc1ncc(C[N@@H+]2C[C@H](O)C3(CC3)C2)n1-c1ccccc1
365626846	ZINC000336546162	mid	7.39	-35.18	1	283.375	2.137	2	3	3	Cc1ncc(C[N@H+]2C[C@H](O)C3(CC3)C2)n1-c1ccccc1
365626849	ZINC000336546162	mid	5.22	-7.13	0	283.375	2.137	1	4	3	Cc1ncc(CN2C[C@H](O)C3(CC3)C2)n1-c1ccccc1
282121054	ZINC000533462773	mid	6.37	-47.85	1	292.427	1.022	2	3	8	CN1CC[NH+](CCCNC(=O)CCCn2cccc2)CC1
365626853	ZINC000336545981	ref	5.69	-9.09	0	291.347	2.107	0	4	2	Cc1cc(C(=O)N2CCOC[C@@H]2[C@H]2CCCC2=O)oc1C
365626857	ZINC000336546040	ref	6.83	-11.94	0	250.346	2.381	1	3	2	Cc1cc(NC(=O)N(C)[C@H]2CC[C@H](C)C2)n(C)n1
365626862	ZINC000336546443	ref	1.55	-11.92	0	278.139	2.281	3	3	3	CC(C)(CO)NC(=O)Nc1cc(Cl)c(Cl)cn1
214179279	ZINC000337608241	ref	5.01	-10.96	0	268.357	2.326	1	4	7	CC[C@@H](C(=O)N[C@H](C)CCOC)c1c(C)noc1C
342085545	ZINC000625356174	ref	4.23	-10.28	0	286.335	1.612	1	5	3	Cc1cnccc1NC(=O)c1ccn(C2CCOCC2)n1
342085546	ZINC000625356174	low	4.69	-35.14	1	286.335	1.612	1	4	3	Cc1c[nH+]ccc1NC(=O)c1ccn(C2CCOCC2)n1
342085547	ZINC000625355766	ref	4.52	-11.05	0	269.37	1.315	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cnc(C)n2C)C1
342085548	ZINC000625355352	ref	3.73	-11.28	0	269.37	1.315	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2cn(C)nc2C)C1
342085549	ZINC000625355947	ref	4.82	-8.74	0	273.398	1.641	0	3	8	C=CC[C@@H]1CCN(S(=O)(=O)CCOCC2CC2)C1
342085550	ZINC000625355902	ref	3.82	-5.87	0	294.395	1.008	1	3	1	C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1
342085551	ZINC000625355144	ref	5.61	-5.7	0	266.385	1.941	1	2	3	CC1(C)CCC[C@H]1CCNC(=O)C(=O)N1CCCC1
365626842	ZINC000617394411	ref	5.48	-12.06	0	287.323	0.765	0	6	2	C[C@@]1(C2CC2)CN(C(=O)c2ccc3nnnn3c2)CCO1
342600257	ZINC000590849228	ref	0.74	-11.47	0	287.385	1.304	2	5	9	COCCOCCCNC(=O)NCc1csc(C)n1
295666673	ZINC000412991011	ref	4.75	-8.17	0	317.57	2.543	1	2	2	C[C@@H]1NC(=O)N(Cc2cccc(Br)c2Cl)C1=O
365626845	ZINC000617395474	ref	3.13	-17.51	0	281.356	0.557	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCCN2C(N)=O)CCO1
342600258	ZINC000590847303	ref	5.3	-37.84	1	297.443	1.975	3	2	5	CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2(C)CCCC2)C1
365626851	ZINC000617396908	ref	3.52	-7.71	0	283.368	0.801	1	4	3	C[C@]1(C2CC2)CN(C(=O)[C@@H](O)C2CCOCC2)CCO1
365626856	ZINC000617396855	ref	2.5	-9.26	0	262.313	0.7	1	5	2	C[C@@]1(C2CC2)CN(C(=O)c2nccnc2N)CCO1
365626859	ZINC000617397613	ref	2.82	-23.6	0	289.397	0.837	0	4	3	CC(C)(C(=O)N1CCO[C@](C)(C2CC2)C1)S(C)(=O)=O
230742111	ZINC000425578398	ref	7.36	-13.43	0	305.422	2.384	1	3	5	COCC1(C#N)CCN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)CC1
178296336	ZINC000237081765	ref	2.53	-66.07	1	362.451	1.537	2	4	8	COCCS(=O)(=O)c1ccc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1
178296337	ZINC000237081765	high	2.07	-14.99	0	362.451	1.537	2	5	8	COCCS(=O)(=O)c1ccc(C(=O)NC[C@@H](N)c2ccccc2)cc1
349533731	ZINC000621489336	ref	6.91	-9.3	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2C[C@@H](C)CC[C@H]2C)c1
192339957	ZINC000421439646	ref	5.54	-9.56	0	219.275	2.583	1	1	4	CC[C@H](C)[C@@H](C)NC(=O)[C@]1(C)CC1(F)F
192339959	ZINC000421444627	ref	7.65	-6.52	0	235.371	3.262	1	1	2	O=C(NC1CCCCCC1)[C@@H]1CC[C@H]2C[C@H]2C1
192339962	ZINC000421440906	ref	6.5	-9.19	0	245.322	2.962	1	2	4	COCc1cccc(NC(=O)[C@]23CCC[C@H]2C3)c1
199273317	ZINC000181263802	ref	5.36	-14.85	0	320.78	2.433	2	4	2	Cc1cc(NC(=O)N2CC[C@@H](O)C2)nn1-c1ccccc1Cl
199273319	ZINC000181259892	ref	8.13	-7.73	0	301.386	2.757	0	3	1	CC(C)(C)c1ccc2c(c1)CN(C(=O)C1=COCCO1)CC2
192339966	ZINC000421441195	ref	9.51	-7.23	0	223.36	3.214	0	1	6	CCCCN(C(=O)[C@@H]1CC12CC2)[C@H](C)CC
192339970	ZINC000421443519	ref	6.69	-8.44	0	245.322	2.673	1	2	4	COc1ccc([C@@H](C)NC(=O)[C@@H]2CC23CC3)cc1
192339972	ZINC000421439749	ref	4.73	-6.59	0	233.258	1.667	0	2	1	C[C@@H]1CN(C(=O)[C@@]2(C)CC2(F)F)[C@H](C)CO1
192339975	ZINC000421444862	ref	6.27	-8.29	0	235.327	1.956	0	2	1	O=C(N1CCO[C@@H]2CCC[C@@H]21)[C@@]12CCC[C@@H]1C2
300266315	ZINC000364046177	mid	3.19	-68.73	0	285.344	-1.066	1	5	2	C[C@H]1CN(C[C@@H]2C[N@@H+](C)CCO2)CCN1C(=O)C(=O)[O-]
178296339	ZINC000237074856	ref	2.44	-53.08	1	362.4	1.125	2	5	7	Cc1c(C(=O)NCCCN(C)CC(F)(F)F)nnn1C1CC[NH2+]CC1
178296341	ZINC000237068789	ref	5.42	-54.92	1	362.518	1.855	3	2	5	CN(C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C1CC[NH2+]CC1
398247535	ZINC000356344613	high	5.95	-33.67	1	242.407	2.266	2	2	8	CCC[C@H](CNC1CC[NH+](CCC)CC1)OC
398247538	ZINC000356343176	ref	4.21	-5.46	0	215.293	0.953	1	4	7	CC[C@@H](NC[C@H](OC)C1CC1)C(=O)OC
398247539	ZINC000356343176	low	5.2	-33.81	1	215.293	0.953	1	3	7	CC[C@@H]([NH2+]C[C@H](OC)C1CC1)C(=O)OC
342600259	ZINC000590847303	mid	3.3	-7.25	0	297.443	1.975	3	2	5	CC(C)C[N@H+]1CCO[C@H](CNC(=O)NC2(C)CCCC2)C1
342600260	ZINC000590847303	mid	3.3	-7.25	0	297.443	1.975	2	3	5	CC(C)CN1CCO[C@H](CNC(=O)NC2(C)CCCC2)C1
290623323	ZINC000334868705	ref	4.03	-8.26	0	252.264	2.636	2	2	0	C[C@H]1CC[C@]2(C1)NC(=O)c1cc(F)c(F)cc1N2
197600367	ZINC000162918756	ref	4.19	-26.42	0	308.338	1.879	3	4	6	CCNC(=O)C(C)(C)CNC(=O)Nc1cccc([N+](=O)[O-])c1
178296346	ZINC000237081484	ref	2.17	-59.74	1	354.472	1.498	2	4	7	COCCS(=O)(=O)c1ccc(C(=O)NCC2([NH3+])CCCCC2)cc1
282121055	ZINC000449150180	ref	6.13	-37.18	1	278.396	2.096	2	2	9	CCC[NH2+][C@H](C)C(=O)N[C@H](C)COCc1ccccc1
178296347	ZINC000237073962	ref	4.53	-50.41	1	354.472	1.459	1	4	8	C[NH2+]C[C@@H]1CCCN1C(=O)CCCOc1ccc(S(C)(=O)=O)cc1
178296348	ZINC000237073726	ref	3.87	-56.09	1	359.43	1.789	2	6	7	COCCOc1cccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1
178296349	ZINC000237081046	ref	2.71	-42.02	1	354.472	1.449	1	4	6	COCCS(=O)(=O)c1ccc(C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])cc1
178296351	ZINC000237080131	ref	7.91	-49.31	1	359.499	1.709	1	5	5	CCc1nsc(N2CCCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)n1
178296352	ZINC000237080131	high	7.62	-9.22	0	359.499	1.709	1	6	5	CCc1nsc(N2CCCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)n1
342600261	ZINC000590848747	ref	7.6	-55.08	-1	279.361	1.963	1	4	8	C=CCSCCNC(=O)c1cccc(CC(=O)[O-])c1
178296354	ZINC000237071278	ref	3.31	-56.43	1	371.89	1.603	2	3	4	CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
178296355	ZINC000237071278	high	3.85	-51.37	0	371.89	1.603	1	3	4	CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
342600262	ZINC000590849264	ref	-0.42	-16.79	0	295.364	1.396	3	4	6	CSCCNC(=O)Nc1ccc(O[C@H]2CC(=O)N2)cc1
398247542	ZINC000356380012	ref	0.27	-11.4	0	245.319	0.317	2	4	7	CO[C@@]1(C(=O)NCCC[C@@H](C)CO)CCOC1
365626850	ZINC000625045881	mid	5.03	-13.66	0	316.405	2.039	0	6	8	COc1ccc(OC)c(CN(CCc2cn(C)nn2)C2CC2)c1
365626855	ZINC000625045505	ref	3.42	-13.91	0	320.361	2.144	0	4	5	C[C@H]1CCN(S(=O)(=O)c2cccnc2OCC(F)F)[C@@H]1C
365626861	ZINC000625045063	ref	5.74	-22.42	0	300.337	2.355	1	4	5	CN(CC(=O)c1c[nH]c2ccc(F)cc12)Cc1cnn(C)c1
365626865	ZINC000625045063	low	7.99	-57.67	1	300.337	2.355	2	3	5	Cn1cc(C[N@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)cn1
342085552	ZINC000625355342	ref	2.97	-9.1	0	282.365	1.677	0	4	5	C=CC[C@@H]1CCN(S(=O)(=O)c2cncc(OC)c2)C1
342085553	ZINC000625355531	ref	3.88	-15.06	0	287.363	1.447	2	3	3	Cc1cnccc1NC(=O)[C@]1(C2CCCC2)CCNC1=O
365626870	ZINC000625045063	low	7.98	-57.46	1	300.337	2.355	2	3	5	Cn1cc(C[N@@H+](C)CC(=O)c2c[nH]c3ccc(F)cc23)cn1
214179284	ZINC000337610370	ref	-1.02	-14.94	0	281.312	-0.348	2	5	8	CCN(CCOCCO)C(=O)c1ccc(C(N)=O)nc1
342085554	ZINC000625355531	low	4.34	-41.29	1	287.363	1.447	2	2	3	Cc1c[nH+]ccc1NC(=O)[C@]1(C2CCCC2)CCNC1=O
365626875	ZINC000625048089	ref	8.61	-44.64	1	300.406	2.039	1	4	6	Cn1cc(CC[NH+]2CCC(OCc3ccccc3)CC2)nn1
197600376	ZINC000290115275	ref	7.12	-43.58	1	296.361	2.92	2	1	5	CC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1CC)c1cc(F)ccc1F
214179289	ZINC000337607253	ref	3.72	-13.45	0	284.356	0.809	1	5	9	CCc1noc(CC)c1CC(=O)N(C)CCOCCO
365639667	ZINC000576611981	ref	3.7	-50.32	1	247.289	1.037	2	1	2	O=C(NCC1CC[NH2+]CC1)N1CCC(F)(F)C1
303960137	ZINC000271820947	ref	4.57	-6.84	0	264.325	1.852	1	4	2	O=C(N[C@H]1CCCOCC1)c1noc2c1CCCC2
398247536	ZINC000381286887	mid	4.2	-5.23	0	226.32	2.134	1	4	7	CC[C@H](C)[C@@H](CNCc1cc(C)no1)OC
282121057	ZINC000174635450	ref	6.97	-50.61	1	316.409	0.557	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H]([NH+]3CC=CC3)C1)CC2
259308977	ZINC000021008379	ref	9.57	-33.76	1	217.356	3.842	1	0	6	CCCCc1ccc([C@@H](C)[NH2+]C2CC2)cc1
342085555	ZINC000625357080	ref	6.78	-15.44	0	298.427	1.953	1	3	6	CC(=O)N[C@H](CC(C)C)C(=O)N1CCC(OC(C)C)CC1
342085556	ZINC000625355468	ref	4.07	-5.89	0	282.384	1.178	1	3	3	CC1CCN(C(=O)C(=O)NCC[C@@H]2CCCOC2)CC1
342085557	ZINC000625355483	ref	4.09	-11.25	0	273.398	1.641	0	3	6	C=CC[C@H]1CCN(S(=O)(=O)CC[C@H]2CCOC2)C1
342085558	ZINC000625355432	ref	4.75	-4.6	0	284.4	1.709	1	3	6	CCC[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C)OCC
342085559	ZINC000625355897	ref	0.17	-6.7	0	273.283	1.539	1	5	4	OC[C@H]1CC(F)(F)CN1Cc1noc(C2CCC2)n1
168365539	ZINC000368508289	ref	10.46	-36.11	1	331.485	3.406	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@@H+]1CCCC12CCCCC2
214179293	ZINC000053356482	ref	7.19	-18.88	0	342.399	1.75	0	5	4	CC(=O)N1CCCN(C(=O)CCc2nc(-c3ccccc3)no2)CC1
282121058	ZINC000248960894	mid	2.36	-38.54	1	308.378	1.345	3	4	6	COc1ccc(OC)c(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1
190492677	ZINC000269419234	ref	9.15	-9.67	0	292.382	3.151	1	2	5	Cc1cncc(/C=C/C(=O)N[C@H]2C[C@H]2Cc2ccccc2)c1
190492678	ZINC000269421138	ref	6.52	-6.44	0	266.316	2.331	1	2	4	CCCN(CC)C(=O)C(=O)Nc1cc(C)cc(F)c1
178296342	ZINC000336315318	ref	2.65	-19.48	0	246.266	0.778	2	4	2	Cc1cc2cc(NC(=O)CO)ccc2n(C)c1=O
178296345	ZINC000046367005	ref	6.17	-11.88	0	230.311	3.461	2	1	3	Cc1cc2cc(NC(=O)CC(C)C)ccc2[nH]1
349533732	ZINC000093235847	low	7.34	-101.31	2	276.384	0.848	2	2	4	C[C@H](c1cccnc1)[N@@H+](C)CC(=O)N1CC[NH+](C)CC1
282121063	ZINC000248960894	mid	2.6	-34.34	1	308.378	1.345	3	4	6	COc1ccc(OC)c(NC(=O)C[N@H+]2CC[C@H](C)[C@@H]2CO)c1
342600263	ZINC000590848794	ref	6.87	-53.96	-1	267.35	1.795	1	4	6	CS[C@H](C)CNC(=O)c1cccc(CC(=O)[O-])c1
349533736	ZINC000093228481	ref	2.83	-47.96	-1	293.366	0.744	1	6	7	Cc1cc(S(=O)(=O)NCCOCC(=O)[O-])c(C)s1
349533741	ZINC000093235942	ref	4.36	-9.28	0	259.317	0.624	2	7	4	C[C@H](c1cccnc1)N(C)Cc1nc(N)nc(N)n1
349533747	ZINC000093228529	ref	2.03	-49.66	-1	295.263	0.344	1	5	7	O=C([O-])COCCNS(=O)(=O)c1cc(F)ccc1F
342600264	ZINC000590848984	ref	4.47	-41.07	1	296.44	1.983	3	3	5	Cc1nc(CNC(=O)NCCC2CC[NH+](C)CC2)cs1
342600265	ZINC000590848758	ref	4.34	-53.01	-1	297.376	1.157	2	5	7	CSC[C@](C)(O)CNC(=O)c1cccc(CC(=O)[O-])c1
214179297	ZINC000053371461	ref	3.93	-16.63	0	338.82	2.204	1	6	4	O=C(CN1CCO[C@@H](c2ccc(Cl)cc2)C1)Nc1nncs1
214179302	ZINC000053357945	ref	7.27	-18.28	0	340.427	2.485	1	3	2	CC(=O)N1CCC[C@H](C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)C1
214179306	ZINC000053367331	ref	2.34	-16.85	0	328.39	1.807	1	4	4	CN(Cc1ccccc1F)C(=O)c1csc(S(N)(=O)=O)c1
342600266	ZINC000590849481	ref	1.51	-10.97	0	292.335	1.546	3	4	5	C[C@H](NC(=O)NC[C@@H](O)C1CC1)c1ccc2c(c1)OCO2
214179310	ZINC000053359552	ref	7.2	-16.34	0	326.396	2.231	2	3	7	CCc1ccc(OCC(=O)N[C@H](C(=O)NC)c2ccccc2)cc1
342600267	ZINC000590847188	ref	4.12	-41.4	1	297.443	1.711	4	2	6	C[NH+](C)C1(CNC(=O)NC[C@@H](O)C2CC2)CCCCCC1
365626858	ZINC000122277501	ref	6.8	-12.99	0	290.411	2.34	0	4	3	CN(C(=O)CC(C)(C)C)[C@H]1CCCN(c2cccnn2)C1
398247540	ZINC000649445450	ref	5.23	-17.14	0	248.307	1.954	1	4	4	O=C(COc1ccc2cnsc2c1)NC1CC1
178296353	ZINC000362493333	ref	4.42	-9.6	0	246.31	2.432	3	2	3	Cc1cc2cc(NC(=O)[C@H](O)C(C)C)ccc2[nH]1
365626860	ZINC000122206880	ref	5.23	-8.87	0	288.395	2.281	2	3	5	O=C(NCc1ccnc(N2CCCCC2)c1)NCC1CC1
398247543	ZINC000381283778	ref	0.89	-99.9	2	213.325	0.167	2	1	4	CC(C)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[NH3+])C1
230742118	ZINC000450475213	ref	3.45	-9.51	0	310.35	1.767	0	7	4	COC(=O)c1coc(CN2CCC[C@H]2C(=O)OC(C)(C)C)n1
178296359	ZINC000098095331	ref	4.9	-10.56	0	204.185	1.745	1	3	1	Cc1cc2cc([N+](=O)[O-])ccc2[nH]c1=O
398247546	ZINC000381283778	high	0.61	-53.14	1	213.325	0.167	2	2	4	CC(C)C[C@@H](N)C(=O)N1CC[C@H](C[NH3+])C1
282121059	ZINC000533462773	high	4.1	-12.58	0	292.427	1.022	1	4	8	CN1CCN(CCCNC(=O)CCCn2cccc2)CC1
365626863	ZINC000122206880	low	5.52	-37.17	1	288.395	2.281	2	2	5	O=C(NCc1cc[nH+]c(N2CCCCC2)c1)NCC1CC1
365626866	ZINC000122223663	ref	6.78	-41.38	1	284.4	2.107	1	3	1	C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)OC(C)(C)C
365626869	ZINC000122223663	mid	4.03	-5.06	0	284.4	2.107	1	3	1	C[C@H]1C[N@H+](C2CCOCC2)CCN1C(=O)OC(C)(C)C
365626872	ZINC000122223663	mid	4.03	-5.06	0	284.4	2.107	0	4	1	C[C@H]1CN(C2CCOCC2)CCN1C(=O)OC(C)(C)C
365626876	ZINC000122252004	ref	7.6	-10.17	0	290.407	2.46	0	3	6	CCOCCCC(=O)N1CCN(c2ccccc2C)CC1
178296366	ZINC000063116320	ref	6.55	-7.04	0	222.631	3.105	0	3	1	Cc1cc2cc([N+](=O)[O-])ccc2nc1Cl
365626882	ZINC000122259824	ref	7.32	-15.12	0	293.411	2.078	1	3	5	CCC(CC)N1C[C@H](C(=O)N[C@H](C#N)C(C)(C)C)CC1=O
282121064	ZINC000533460389	ref	5.52	-40.59	1	254.374	1.236	2	2	3	CCC(=O)N1CCC[N@H+](CC2(O)CCCC2)CC1
398247549	ZINC000649442185	ref	8.53	-10.31	0	242.322	2.917	0	3	4	CC(=O)CCc1ccc(-c2cn(C)nc2C)cc1
342600268	ZINC000589751588	ref	6.03	-6.94	0	279.311	1.453	1	4	5	COCC#CCN[C@@](C)(C(=O)OC)c1ccc(F)cc1
342600657	ZINC000617003055	ref	5.15	-36.96	1	293.415	1.709	2	4	4	CC(C)n1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)nn1
398247552	ZINC000649442183	ref	2.24	-11.72	0	209.274	1.861	0	5	2	COc1nc(-c2cn(C)nc2C)cs1
259308982	ZINC000322996851	ref	3.93	-6.29	0	209.293	2.012	1	4	5	CC[C@@](C)(CNc1ccnc(C)n1)OC
343995055	ZINC000625564096	mid	9.28	-32.81	1	201.313	3.219	1	0	2	C[C@H]1C[C@@H]1C[N@H+]1Cc2ccccc2[C@H]1C
398247554	ZINC000381281999	ref	4.72	-34.88	1	215.337	1.816	1	2	7	CC[C@H](C)[C@@H](C[NH2+]C[C@@H]1CCCO1)OC
214179296	ZINC000337606649	ref	1.08	-17.76	0	288.307	0.534	3	4	3	C[C@@H](NC(=O)Nc1cccc2c(=O)n(C)ccc12)C(N)=O
178296357	ZINC000237080107	ref	3.15	-51.99	1	367.515	1.548	2	4	6	CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H]([NH3+])C(C)C)CC2)cc1
365626864	ZINC000336545860	ref	4.74	-10.05	0	278.352	2.181	1	3	3	CO[C@@H]1CN(C(=O)Nc2cc(C)cc(C)c2)C[C@H]1OC
214179299	ZINC000337608490	ref	8.62	-47.04	1	290.407	2.05	2	2	6	C[C@@H](OCc1ccccc1)C(=O)NCC1CC[NH+](C)CC1
214179301	ZINC000337606301	ref	5.85	-12.21	0	268.401	2.33	1	2	6	CCCC[C@H](C)C(=O)N1CCNC(=O)[C@]1(C)CCC
214179305	ZINC000337610628	ref	3.34	-13.6	0	259.302	-0.347	1	5	8	CCN(CCOCCO)C(=O)[C@H]1C[C@@H]1C(=O)OC
349533733	ZINC000618812504	mid	8.08	-38.41	1	275.414	1.638	1	4	7	COC(=O)[C@H](COC(C)C)[N@H+](C)C[C@H]1CCSC1
365626868	ZINC000336545679	ref	6.53	-9.54	0	283.318	2.094	1	2	3	C[C@@H]1CN(C(=O)[C@@H](O)Cc2ccccc2)CCC1(F)F
306234557	ZINC000557851677	mid	5.07	-41.74	1	331.464	1.048	3	3	5	CN1CC[N@@H+](C)C[C@H]1CNC(=O)NCC1(c2ccccn2)CCC1
214179311	ZINC000337609294	ref	1.72	-40.86	1	273.377	0.025	4	3	9	C[NH+](C)C[C@](C)(O)CNC(=O)NCCOCC1CC1
214179312	ZINC000337609294	high	-0.22	-8.05	0	273.377	0.025	3	4	9	CN(C)C[C@](C)(O)CNC(=O)NCCOCC1CC1
412491671	ZINC000655151569	ref	3.48	-19.54	0	268.361	0.84	2	2	4	CC[C@H](NC(=O)N1CC(N2CCNC2=O)C1)C(C)C
192339965	ZINC000273864051	ref	2.59	-10.05	0	299.277	2.702	0	6	8	CCCOCc1nc(-c2ccc(OCC(F)F)nc2)no1
342085560	ZINC000608948645	ref	5.6	-10.65	0	281.356	1.479	1	5	7	CCOC(=O)CCC(=O)NCc1c(C)nn(CC)c1C
230742115	ZINC000425578963	ref	5.71	-10.06	0	320.408	2.465	3	2	7	O=C(NC[C@H](O)Cc1cccc(F)c1)NC[C@@H]1C[C@H]1C1CCC1
178305230	ZINC000042989052	ref	8.45	-11.38	0	224.267	2.408	0	4	1	Cc1cc2nnc(-c3ccccc3)n2c(C)n1
230742119	ZINC000425588450	ref	6.13	-17.18	0	313.226	2.271	0	4	3	Cc1cc2n(n1)[C@@H](C(F)(F)F)CCN2C(=O)COC(F)F
230742126	ZINC000425583252	ref	7.24	-8.8	0	316.332	2.477	1	5	4	COC(=O)c1conc1C(C)(C)NCC#Cc1ccc(F)cc1
214179317	ZINC000337609008	ref	2.01	-15.16	0	276.283	0.932	2	3	4	O=C1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2OC(F)F)N1
342085561	ZINC000625355325	ref	4.14	-10.36	0	273.398	1.782	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@H]2CCO[C@@H](C)C2)C1
342085562	ZINC000625355326	ref	3.92	-10.25	0	273.398	1.782	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@@H]2CCO[C@@H](C)C2)C1
342085563	ZINC000625355482	ref	4.02	-11.36	0	273.398	1.641	0	3	6	C=CC[C@@H]1CCN(S(=O)(=O)CC[C@@H]2CCOC2)C1
178296358	ZINC000237080107	high	3.33	-15.57	0	367.515	1.548	2	5	6	CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H](N)C(C)C)CC2)cc1
178296360	ZINC000237074667	ref	6.43	-98.34	2	356.474	1.455	3	4	8	C[N@H+](CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)Cc1ccccc1
178296361	ZINC000237074667	mid	6.42	-98.34	2	356.474	1.455	3	4	8	C[N@@H+](CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)Cc1ccccc1
178296362	ZINC000237074667	high	4.09	-54.16	1	356.474	1.455	2	5	8	CN(CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)Cc1ccccc1
178296364	ZINC000237071267	ref	3.94	-42.34	1	358.236	1.358	2	3	6	CN(CC(=O)N[C@@](C)(C[NH3+])C1CC1)C(=O)c1ccc(Br)o1
192339969	ZINC000081926972	ref	8.33	-9.91	0	303.431	2.85	1	3	3	CC1(C)CN(C(=O)CCc2nc3ccccc3[nH]2)CCS1
282121060	ZINC000151614494	ref	1.86	-12.77	0	304.325	2.014	2	4	6	CCOc1ncccc1CNC(=O)NCc1ncccc1F
192339976	ZINC000081927991	ref	5.96	-17.02	0	320.414	3.14	0	5	3	Cc1oc(-c2ccco2)nc1CC(=O)N1CCSC(C)(C)C1
192339978	ZINC000081923784	ref	2.6	-47.07	1	311.403	1.224	1	4	3	[NH3+][C@H]1CCC2(C[C@@H]1S(=O)(=O)Cc1ccccc1)OCCO2
178296365	ZINC000237080836	ref	8.26	-39.16	1	350.484	1.538	2	4	7	COC(=O)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)Cc1cccc(C)c1
178296367	ZINC000237080836	high	7.2	-11.62	0	350.484	1.538	2	5	7	COC(=O)[C@@H](CNC(=O)C[C@H]1CSCCN1)Cc1cccc(C)c1
178296368	ZINC000237080882	ref	4.15	-47.56	1	351.472	1.199	2	3	6	C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1
365626867	ZINC000617398297	ref	8.33	-20.64	0	294.355	0.906	1	6	6	COC(=O)[C@@H](CC1CCCCC1)NC(=O)Cn1cncn1
192339980	ZINC000081923784	high	2.21	-11.88	0	311.403	1.224	1	5	3	N[C@H]1CCC2(C[C@@H]1S(=O)(=O)Cc1ccccc1)OCCO2
178296370	ZINC000237072373	ref	2.34	-51.49	1	362.293	1.627	1	3	4	CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[C@@H]2C[NH3+])c1
178296372	ZINC000237070959	ref	3.74	-56.65	1	374.304	1.826	2	3	5	CN(CC(=O)N[C@@H]1CCC[C@H]1C[NH3+])C(=O)c1ccc(Br)s1
192339984	ZINC000081923749	ref	3.82	-13.51	0	303.383	2.062	1	4	3	N[C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)Cc1ccccc1
178305239	ZINC000043513993	ref	5.71	-57.11	1	203.289	2.173	1	2	2	Cc1cc2ncn([C@@H](C)C[NH3+])c2cc1C
192339987	ZINC000081923749	mid	4.13	-46.52	1	303.383	2.062	1	3	3	[NH3+][C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)Cc1ccccc1
168365542	ZINC000368508289	mid	10.47	-36.78	1	331.485	3.406	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@H+]1CCCC12CCCCC2
178296373	ZINC000085386319	ref	6.57	-6.54	0	236.112	3.614	0	1	0	Cc1cc2ccc(Br)nc2cc1C
398247545	ZINC000356353017	ref	5.58	-40.64	1	239.359	2.103	1	2	5	CO[C@H](C[NH2+][C@@H]1CCOC2(CCC2)C1)C1CC1
398247548	ZINC000356350524	ref	3.93	-9.36	0	212.293	1.217	1	2	4	CO[C@H](CNC(=O)N1CCCC1)C1CC1
214179298	ZINC000293501054	ref	1.61	-16.53	0	365.404	0.34	0	6	3	COC(=O)c1cc(S(=O)(=O)N2CCS(=O)(=O)CC2)c(F)cc1C
214179303	ZINC000293504185	ref	2.79	-12.72	0	352.343	0.437	2	7	5	COC(=O)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)OC(C)(C)O2)OC
214179307	ZINC000293489247	ref	2.98	-18.37	0	363.414	0.681	3	5	9	CCNC(=O)COc1cccc(NC(=O)C(=O)NC[C@@H](OC)C2CC2)c1
214179313	ZINC000293494333	ref	5.12	-13.28	0	366.418	0.939	2	7	6	COC(=O)[C@H](CNC(=O)C(=O)Nc1cc(C)n(C2CCCCC2)n1)OC
178296376	ZINC000011634018	ref	5.69	-5.12	0	221.691	2.791	2	2	0	Cc1cc2ccc(Cl)c(C)c2[nH]c1=NN
342085564	ZINC000625355926	ref	4.96	-12.63	0	281.381	1.416	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2cnc3n2CCC3)C1
178296380	ZINC000002583662	ref	10.64	-5.52	0	220.315	4.918	0	0	0	Cc1cc2cc3ccccc3cc2c(C)c1C
178296383	ZINC000019126616	ref	4.27	-50.76	1	242.322	2.722	1	2	0	Cc1cc2cc3c(nc2cc1C)O[C@H](C)C[NH2+]C3
178296384	ZINC000019126616	high	3.01	-10.52	0	242.322	2.722	1	3	0	Cc1cc2cc3c(nc2cc1C)O[C@H](C)CNC3
178296387	ZINC000330960582	ref	3.81	-15.16	0	246.31	2.576	3	2	3	Cc1cc2cc(NC(=O)CC(C)(C)O)ccc2[nH]1
190597650	ZINC000270094674	ref	4.54	-11.23	0	257.297	1.884	2	4	3	Cc1nnccc1C(=O)Nc1cc([C@H]2C[C@@H]2C)[nH]n1
190597651	ZINC000270094721	ref	3.67	-11.48	0	285.409	2.594	2	4	7	CCC(CC)(CO)CNC(=O)c1sc(C)cc1OC
398247551	ZINC000356345793	ref	1.2	-8.94	0	228.292	0.5	2	3	5	CO[C@@H](CNC(=O)N[C@@H]1CCOC1)C1CC1
178296390	ZINC000063117644	ref	5.7	-14.05	0	240.27	1.41	1	6	1	Cc1cc2ccc(-n3cnnn3)c(C)c2nc1N
178296392	ZINC000063117644	low	6.05	-38.18	1	240.27	1.41	1	5	1	Cc1cc2ccc(-n3cnnn3)c(C)c2[nH+]c1N
282121061	ZINC000449151256	ref	4.59	-44.64	1	284.306	2.19	2	2	4	[NH3+]C1CCC(OCC(=O)Nc2ccc(F)cc2F)CC1
178296395	ZINC000095803768	ref	7.28	-3.05	0	227.126	3.972	0	1	0	Cc1cc2ccc(Br)cc2s1
342085565	ZINC000625356176	ref	5.72	-29.97	1	284.444	1.578	2	3	7	CCO[C@@H](CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC1
342085566	ZINC000625356176	mid	5.47	-29.84	1	284.444	1.578	2	3	7	CCO[C@@H](CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC1
342085567	ZINC000625356176	mid	3.2	-3.38	0	284.444	1.578	2	3	7	CCO[C@@H](C[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C)C1CC1
178296374	ZINC000237076550	ref	5.67	-46.7	1	362.518	1.855	3	2	6	C[NH2+]C[C@@H]1CCCN1C(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2
178296375	ZINC000237074784	ref	4.01	-67.66	1	354.501	1.559	3	5	7	C[NH2+]CCNC(=O)[C@H](C)SCc1nc(=O)c2c(C)c(C)sc2[nH]1
178296378	ZINC000237075808	ref	4.18	-64.29	1	374.304	1.826	2	3	5	CN(CC(=O)N[C@H]1CCC[C@H]1C[NH3+])C(=O)c1ccc(Br)s1
342600269	ZINC000616998969	ref	6.87	-79.91	2	269.433	1.563	3	1	5	CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
342600270	ZINC000616998969	mid	6.82	-79.71	2	269.433	1.563	3	1	5	CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
282121065	ZINC000449150828	ref	3.19	-51.46	1	293.411	2.416	1	4	5	COc1nccc(C[NH2+]C[C@@H]2CCCO[C@H]2C(C)(C)C)n1
342600271	ZINC000616998969	high	4.82	-37.2	1	269.433	1.563	2	2	5	CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
197600396	ZINC000290115573	ref	4.06	-8.37	0	276.336	1.951	2	3	5	C=C(CNC(=O)C(C)(C)NC(=O)OC)c1ccccc1
199273321	ZINC000181259788	ref	7.83	-15.11	0	301.35	1.857	2	5	4	Cn1ncnc1NC(=O)N[C@@H](c1ccccc1)[C@H]1CCCO1
197600397	ZINC000290116562	ref	5.15	-8.62	0	271.407	2.557	0	3	3	CC1(C)CN(S(=O)(=O)c2cccs2)[C@H]1C1CC1
214179300	ZINC000278477464	ref	0.29	-14.13	0	316.361	1.408	3	5	7	COc1ccc([C@H](CCO)NC(=O)NCc2cccnn2)cc1
185091345	ZINC000096081420	low	6.43	-112.76	2	288.395	0.581	3	2	4	CNC(=O)C[NH+]1CC[C@@H]2C[N@@H+](Cc3ccncc3)C[C@@H]2C1
185091347	ZINC000096080660	ref	5.49	-12.56	0	275.308	0.615	0	4	3	O=C(c1ccno1)N1C[C@H]2CN(CC3CC3)C(=O)[C@H]2C1
365626871	ZINC000336546229	ref	7.49	-10.52	0	299.292	2.284	0	2	3	O=C(Cc1cc(F)c(F)cc1F)N1CCO[C@@H](C2CC2)C1
230742136	ZINC000425576560	ref	4.86	-10.57	0	316.442	2.06	3	4	8	CC[C@@H](CO)NC(=O)NC[C@@H](CC(C)C)C(=O)OC(C)(C)C
365626874	ZINC000336545983	ref	6.91	-12.49	0	291.347	2.107	0	4	2	Cc1cc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCC2=O)oc1C
168365793	ZINC000307310130	high	-0.46	-29.57	1	185.271	-0.327	2	2	2	C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CN
178296379	ZINC000237072359	ref	7.09	-61.02	-1	357.204	1.559	1	4	6	CC(=O)N(C)CC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1
342600272	ZINC000616998969	high	4.72	-36.83	1	269.433	1.563	2	2	5	CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
214179304	ZINC000278476621	ref	8.29	-13.13	0	310.397	2.793	1	3	6	O=C(COCc1ccccc1)NCc1ccc2c(n1)CCCC2
342600273	ZINC000590851073	ref	5.1	-14.99	0	293.392	1.555	1	3	1	C[C@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)CC[S@]1=O
349533735	ZINC000618812504	mid	8.14	-42.99	1	275.414	1.638	1	4	7	COC(=O)[C@H](COC(C)C)[N@@H+](C)C[C@H]1CCSC1
178296381	ZINC000237081781	ref	5.5	-58.02	1	365.499	1.607	1	3	4	C[NH2+]CC1CCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)CC1
178296382	ZINC000237078725	ref	7.38	-50.77	1	374.222	1.88	1	2	4	CN(C(=O)COc1ccc(I)cc1)C1CC[NH2+]CC1
349533738	ZINC000621228644	low	7.49	-37.92	1	277.29	2.368	1	2	6	CC(C)(CNC(=O)CCn1cc[nH+]c1)CC(F)(F)F
299072505	ZINC000354604102	ref	3.37	-19.1	0	331.372	0.521	1	5	6	COC[C@@H](C(N)=O)N(C)C(=O)[C@@H](C)n1ccc2ccccc2c1=O
349533742	ZINC000621228322	ref	4.5	-10.41	0	263.263	2.128	1	3	4	Cn1ccc(C(=O)NCC(C)(C)CC(F)(F)F)n1
349533745	ZINC000621225984	ref	5.74	-10.3	0	291.317	2.448	1	3	6	Cn1nccc1CCC(=O)NCC(C)(C)CC(F)(F)F
282121066	ZINC000424411860	ref	8.11	-38.94	0	297.439	3.062	1	3	7	CCC(CC)(C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1)C(=O)[O-]
365626873	ZINC000617396714	ref	3.02	-15.76	0	252.314	0.293	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@@H]2CCC(=O)N2)CCO1
342600274	ZINC000616998970	ref	6.9	-79.35	2	269.433	1.563	3	1	5	CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
365626878	ZINC000617399118	ref	2.46	-13.13	0	252.314	0.15	1	3	2	C[C@]1(C2CC2)CN(C(=O)[C@H]2CNC(=O)C2)CCO1
192339971	ZINC000273861906	ref	6.23	-8.35	0	288.351	2.482	0	6	5	COC[C@H](C)c1nc(-c2cccnc2N2CCCC2)no1
192339974	ZINC000273865041	ref	2.12	-8.05	0	288.326	1.856	0	5	2	Cc1ccc(-c2nc([C@@H]3CN4CCN3CC4)no2)c(F)c1
178296385	ZINC000237072289	ref	3.53	-46.04	1	362.293	1.499	1	3	3	CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC[NH2+]CC2)c1
214179309	ZINC000278477561	ref	7.7	-10.77	0	310.419	2.79	0	5	5	CCC[C@]1(C(=O)OCC)CCCN1C(=O)c1cnc(C)s1
214179314	ZINC000278476434	ref	4.75	-6.79	0	317.364	2.553	0	5	4	Fc1cccc(Cc2noc(CN3CCO[C@H]4CCC[C@H]43)n2)c1
178296386	ZINC000237072289	high	2.3	-8.69	0	362.293	1.499	1	4	3	CN(C)c1ccc(Br)c(S(=O)(=O)N2CCCNCC2)c1
178296388	ZINC000237070614	ref	2.97	-65.55	1	359.879	1.204	2	3	6	CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1
192339977	ZINC000273865041	low	4.55	-37.32	1	288.326	1.856	1	4	2	Cc1ccc(-c2nc([C@@H]3C[NH+]4CCN3CC4)no2)c(F)c1
365626881	ZINC000617396235	ref	3.44	-7.96	0	295.427	0.65	0	4	3	C[C@@H](C(=O)N1CCO[C@](C)(C2CC2)C1)N1CCN(C)CC1
398249365	ZINC000069839047	ref	3.4	-95.58	2	227.352	0.716	3	1	7	C[C@H]([NH3+])CCC(=O)NCCC[NH+]1CCCC1
349533750	ZINC000621229331	ref	3.74	-8.07	0	253.264	2.118	1	2	4	CC(C)(CNC(=O)[C@H]1CCOC1)CC(F)(F)F
365626885	ZINC000617396235	mid	5.81	-38.79	1	295.427	0.65	1	3	3	C[C@@H](C(=O)N1CCO[C@](C)(C2CC2)C1)N1CC[NH+](C)CC1
178296389	ZINC000237069350	ref	3.86	-61.24	1	373.906	1.594	2	3	6	CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1
199273322	ZINC000294963709	ref	5.65	-6.91	0	256.353	2.385	1	4	5	CCn1nc(C)c(CNC2(c3ccccc3)CC2)n1
282121067	ZINC000248961480	ref	3.35	-16.47	0	302.378	1.064	1	6	4	C[C@H]1CN(Cc2nnc(-c3ccccc3)n2C)C[C@@H](CO)O1
199273324	ZINC000294963709	low	6.8	-37.24	1	256.353	2.385	1	3	5	CCn1nc(C)c(C[NH2+]C2(c3ccccc3)CC2)n1
214179318	ZINC000053356417	ref	7.77	-40.01	0	333.369	2.198	1	5	6	C[C@@H](NC(=O)CSc1cccc[n+]1[O-])c1cccc([N+](=O)[O-])c1
178296391	ZINC000237079587	ref	8.55	-49.75	1	351.52	1.919	1	5	5	CCc1nsc(N2CCCN(C(=O)CCC3CC[NH2+]CC3)CC2)n1
178296393	ZINC000237076304	ref	2.85	-51.9	1	359.879	1.204	2	3	7	CN(CC(=O)N[C@](C)(C[NH3+])C1CC1)S(=O)(=O)c1ccc(Cl)cc1
178296394	ZINC000237069012	ref	4.6	-55.5	1	372.263	1.748	2	3	5	CN(CC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1
178296396	ZINC000237069243	ref	4.87	-52.4	1	367.515	1.491	2	3	6	Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)C2CC[NH2+]CC2)c(C)c1
178296397	ZINC000237081915	ref	3.11	-50.63	1	368.499	1.744	2	4	8	COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1
199273326	ZINC000294964759	ref	2.49	-12.16	0	292.379	1.17	1	4	7	COCCOCc1ccc(CN2CC(=O)N[C@H](C)C2)cc1
199273328	ZINC000294964759	low	5.07	-49.86	1	292.379	1.17	2	3	7	COCCOCc1ccc(C[N@H+]2CC(=O)N[C@H](C)C2)cc1
199273330	ZINC000294964759	low	4.96	-50.39	1	292.379	1.17	2	3	7	COCCOCc1ccc(C[N@@H+]2CC(=O)N[C@H](C)C2)cc1
136228728	ZINC000285181837	ref	7.69	-28.97	1	231.343	2.118	3	2	4	C[C@H]1C[NH+]=C(NCC[C@H](C)c2ccccc2)N1
178296399	ZINC000237081915	high	2.78	-12.64	0	368.499	1.744	2	5	8	COCCS(=O)(=O)c1ccc(C(=O)N[C@@H](CN)C2CCCCC2)cc1
178296401	ZINC000237080478	ref	3.13	-57.2	1	356.488	1.552	1	4	9	COCCS(=O)(=O)c1ccc(C(=O)N(C)CC[C@H]([NH3+])C(C)C)cc1
214179323	ZINC000053356355	ref	6.24	-17.07	0	338.791	1.806	0	4	1	CC(=O)N1CCCN(C(=O)c2cc(Cl)c3c(c2)OCCO3)CC1
199273331	ZINC000181265630	ref	4.13	-16.43	0	305.338	1.069	3	6	6	COc1ccc([C@@H](CCO)NC(=O)Nc2ncnn2C)cc1
199273332	ZINC000294964611	ref	2.05	-50.49	1	262.357	1.159	3	3	4	Nc1cccc(C(=O)NC[C@@H]2CC[C@@H](C[NH3+])CC2)n1
178296403	ZINC000237074291	ref	10.13	-69.12	-1	361.373	1.673	0	6	7	COCCN(CC(=O)[O-])C(=O)c1nn(-c2ccccc2F)c2c1CCC2
166172658	ZINC000077266797	ref	4.83	-23.89	1	177.251	1.594	1	2	3	C=CCN(C)c1cc(C)c(N)c[nH+]1
282121068	ZINC000449150828	high	1.79	-9.29	0	293.411	2.416	1	5	5	COc1nccc(CNC[C@@H]2CCCO[C@H]2C(C)(C)C)n1
349533739	ZINC000618810435	ref	6.54	-20.08	0	264.373	1.99	0	4	5	C[C@H](CC1CCCC1)C(=O)N(C)Cc1cn(C)nn1
365626877	ZINC000336545865	ref	6.96	-15.04	0	297.354	2.202	1	3	3	O=C(COc1cccc2ccccc12)N1C[C@H](O)C2(CC2)C1
365626880	ZINC000336546214	ref	4.25	-6.25	0	293.164	2.282	1	3	1	N#Cc1cc(Br)ccc1N1C[C@@H](O)C2(CC2)C1
365626883	ZINC000336546493	ref	6.97	-14.38	0	255.252	2.228	1	2	1	N#Cc1ccc(C(=O)N2CCc3cccc(F)c32)[nH]1
398247547	ZINC000651455793	ref	7.59	-6.89	0	289.329	3.444	1	3	2	C[C@@H]1C[C@H](N[C@H]2CCc3c(F)cc(F)cc32)c2nccn21
192339979	ZINC000421439607	ref	6.09	-9.91	0	223.316	1.814	0	2	5	COCCN(C(=O)[C@@]12CCC[C@@H]1C2)C1CC1
192339982	ZINC000421441180	ref	6.68	-9.42	0	245.322	2.673	1	2	4	COc1cccc([C@@H](C)NC(=O)[C@@H]2CC23CC3)c1
365626887	ZINC000336546141	ref	6.17	-9.52	0	273.376	2.256	1	2	2	Cc1ccc(C(C)(C)C(=O)N2C[C@@H](O)C3(CC3)C2)cc1
230742145	ZINC000425585819	ref	3.75	-10.8	0	314.345	2.077	1	5	4	COc1ccnc(CNC(=O)N2CCC=C(c3ccco3)C2)n1
192339985	ZINC000421444376	ref	6.95	-11.64	0	206.289	1.939	0	2	4	CCCN(CC#N)C(=O)[C@@]12CCC[C@@H]1C2
192339988	ZINC000421440133	ref	8.61	-10.37	0	239.315	1.588	0	3	6	CCCN(CC(=O)OCC)C(=O)[C@@H]1CC12CC2
192339992	ZINC000421439604	ref	6.3	-6.94	0	223.316	1.814	0	2	5	COCCN(C(=O)[C@]12CCC[C@H]1C2)C1CC1
342085568	ZINC000625356176	mid	5.47	-29.84	1	284.444	1.578	2	3	7	CCO[C@@H](C[N@H+]1CCN(CC(C)(C)O)C[C@H]1C)C1CC1
192339996	ZINC000421443043	ref	8.31	-11.36	0	247.313	2.673	1	1	4	C[C@@H](Cc1ccccc1F)NC(=O)[C@H]1CC12CC2
342085569	ZINC000625356176	high	3.2	-3.38	0	284.444	1.578	1	4	7	CCO[C@@H](CN1CCN(CC(C)(C)O)C[C@H]1C)C1CC1
192339999	ZINC000421439336	ref	5.66	-7.06	0	223.316	1.812	0	2	1	C[C@H]1CO[C@H](C)CN1C(=O)[C@]12CCC[C@H]1C2
192340002	ZINC000421444946	ref	6.74	-6.0	0	209.333	2.585	1	1	2	CC(C)(C)CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1
342085570	ZINC000625355510	ref	6.21	-4.8	0	252.358	1.717	1	2	6	CCCCN(CC)C(=O)C(=O)NCC1CC=CC1
342085571	ZINC000625355845	ref	1.31	-10.76	0	275.324	1.617	1	5	4	OC[C@@H]1CC(F)(F)CN1Cc1nnc(C2CC2)s1
342085572	ZINC000625355106	ref	3.19	-8.9	0	255.343	1.007	0	4	4	C=CC[C@@H]1CCN(S(=O)(=O)c2ccnn2C)C1
342085573	ZINC000625355869	ref	4.16	-5.57	0	282.384	1.32	1	3	3	C[C@@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CCCOC1
342085574	ZINC000625355507	ref	3.83	-10.18	0	261.387	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)[C@H](C)CCOC)C1
398247550	ZINC000651455793	mid	9.36	-49.2	1	289.329	3.444	1	2	2	C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c(F)cc(F)cc32)c2nccn21
178296404	ZINC000115330445	ref	7.14	-12.52	0	242.322	3.605	2	1	4	Cc1cc2cc(NC(=O)CCC3CC3)ccc2[nH]1
398247553	ZINC000651455501	ref	7.94	-5.95	0	250.386	3.149	1	1	1	C[C@H]1CC[C@H](C)N(C(=O)NC2CC3(CCC3)C2)C1
398247555	ZINC000651457160	ref	8.21	-6.89	0	250.386	3.292	1	1	2	CC[C@H]1CC[C@@H](C)N1C(=O)NC1CC2(CCC2)C1
398247557	ZINC000651455799	ref	6.14	-42.9	1	265.372	3.042	2	1	8	C[C@@H](CCCCO)[NH2+]C1(Cc2ccc(F)cc2)CC1
214179316	ZINC000293499117	ref	1.59	-47.97	1	366.462	0.161	4	5	11	CC(C)C(=O)N[C@@H](CO)C(=O)NCc1ccncc1OCCC[NH+](C)C
398247560	ZINC000651455109	ref	7.8	-7.73	0	250.386	3.149	1	1	2	CC[C@H]1C[C@H](C)CN1C(=O)NC1CC2(CCC2)C1
398247563	ZINC000651455502	ref	7.98	-6.03	0	250.386	3.149	1	1	1	C[C@@H]1CC[C@@H](C)N(C(=O)NC2CC3(CCC3)C2)C1
365626879	ZINC000625048089	high	6.23	-11.22	0	300.406	2.039	0	5	6	Cn1cc(CCN2CCC(OCc3ccccc3)CC2)nn1
398247567	ZINC000651456880	ref	9.2	-10.48	0	288.391	3.352	1	2	6	C=CCN(CCc1ccco1)C(=O)NC1CC2(CCC2)C1
398247570	ZINC000651456509	ref	7.69	-7.77	0	250.386	3.007	1	1	2	CC(C)[C@@H]1CCN(C(=O)NC2CC3(CCC3)C2)C1
398247574	ZINC000651455750	ref	7.94	-7.28	0	292.423	3.064	1	2	1	O=C(NC1CC2(CCC2)C1)N1CCOC2(CCCCC2)C1
178296417	ZINC000123316053	ref	4.31	-13.19	0	231.299	3.006	3	1	2	Cc1cc2cc(NC(=O)NC(C)C)ccc2[nH]1
230742147	ZINC000450475974	ref	9.06	-16.82	0	302.338	1.804	1	7	4	Cn1ccnc1N1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1
178296421	ZINC000001463264	ref	5.12	-12.64	0	240.262	3.322	2	2	2	Cc1cc2cc(NC(=O)c3ccco3)ccc2[nH]1
178296426	ZINC000335876626	ref	7.15	-10.91	0	242.322	3.605	2	1	3	Cc1cc2cc[nH]c2cc1NC(=O)CC1CCC1
230742151	ZINC000450475974	mid	9.55	-42.9	1	302.338	1.804	1	6	4	Cn1cc[nH+]c1N1CCC(Nc2ccc([N+](=O)[O-])nc2)CC1
398247577	ZINC000651455785	ref	8.6	-43.17	1	289.394	3.45	1	1	4	Fc1ccc(CC2([NH2+][C@@H]3CCC34CCOCC4)CC2)cc1
398247579	ZINC000651456510	ref	7.69	-7.76	0	250.386	3.007	1	1	2	CC(C)[C@H]1CCN(C(=O)NC2CC3(CCC3)C2)C1
398247582	ZINC000651455148	ref	7.84	-7.76	0	250.386	3.149	1	1	1	C[C@@H]1CCCN(C(=O)NC2CC3(CCC3)C2)[C@@H]1C
398247584	ZINC000651456195	ref	7.84	-8.31	0	294.439	3.308	1	2	2	CC(C)(C)OC1CCN(C(=O)NC2CC3(CCC3)C2)CC1
398247587	ZINC000651456012	ref	6.56	-6.71	0	250.386	3.199	2	1	4	CCC1(CNC(=O)NC2CC3(CCC3)C2)CCC1
197600401	ZINC000290115602	ref	3.17	-10.1	0	277.299	2.146	3	3	5	C/C=C/C[C@H](CO)NC(=O)Nc1ccc(C#N)c(F)c1
365626884	ZINC000625048357	ref	7.73	-18.74	0	319.449	2.361	1	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1CC[C@@H](C2CCCC2)C1
342600275	ZINC000616998970	mid	6.92	-79.42	2	269.433	1.563	3	1	5	CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
365626886	ZINC000625047191	ref	4.79	-10.75	0	313.41	2.356	0	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)N(C)C[C@@H]1CCOC1
365626902	ZINC000625047189	ref	4.52	-9.92	0	313.41	2.356	0	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)N(C)C[C@H]1CCOC1
365626913	ZINC000625048356	ref	7.72	-18.75	0	319.449	2.361	1	2	3	O=C(N[C@H]1CCN(C2CCC2)C1=O)N1CC[C@H](C2CCCC2)C1
365626923	ZINC000625049921	ref	6.58	-12.26	0	319.43	2.295	0	4	3	Cc1ncc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@@H]2C)n1C
365626941	ZINC000625045366	ref	7.25	-18.52	0	307.438	2.36	1	2	3	CC[C@@H]1CC[C@H](C)N(C(=O)N[C@H]2CCN(C3CCC3)C2=O)C1
398247556	ZINC000181783527	ref	3.85	-14.46	0	244.291	-0.077	1	4	6	CCOC(=O)C[C@@H](C)N(C)C(=O)CNC(C)=O
365626951	ZINC000625045600	ref	6.66	-27.55	0	319.38	2.29	1	3	7	CCN(CC)C(=O)CN(C)CC(=O)c1c[nH]c2ccc(F)cc12
365626961	ZINC000625047033	ref	7.55	-18.51	0	319.449	2.362	1	2	3	CC1(C2CC2)CCN(C(=O)N[C@H]2CCN(C3CCC3)C2=O)CC1
342600276	ZINC000616998970	high	4.74	-36.49	1	269.433	1.563	2	2	5	CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
365626969	ZINC000625047044	ref	6.72	-23.3	0	317.364	2.004	1	2	2	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1Cc2cccc(F)c2C1
365626979	ZINC000625049517	ref	4.04	-12.78	0	303.346	2.063	1	3	9	CCO[C@@H](CS(=O)(=O)NCCCC(F)(F)F)C1CC1
342600277	ZINC000616998970	high	4.83	-36.98	1	269.433	1.563	2	2	5	CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
342600278	ZINC000590850346	ref	6.68	-15.43	0	292.383	1.799	1	4	4	O=C(NCC[C@H]1CCCO1)N1CCC(n2ccnc2)CC1
214179319	ZINC000278476586	ref	6.45	-38.7	1	303.406	2.008	3	2	4	Cc1cc(C)c(C(=O)NCC2CC[NH+](C3CC3)CC2)c(=O)[nH]1
365626989	ZINC000625045616	ref	3.64	-12.24	0	318.464	2.247	1	5	8	CCO[C@@H](CS(=O)(=O)N[C@H](C)c1ncc(C)s1)C1CC1
214179322	ZINC000278477088	ref	4.1	-8.83	0	320.368	3.11	2	4	6	CC[C@@H](NC(=O)NCc1nc(-c2cccc(F)c2)no1)C(C)C
349533740	ZINC000621489154	ref	4.57	-12.27	0	294.351	3.124	0	4	4	COc1cc(C(=O)N(C)[C@H](C)c2ccccc2F)sn1
365626997	ZINC000625045616	high	3.51	-45.28	-1	318.464	2.247	0	5	8	CCO[C@@H](CS(=O)(=O)[N-][C@H](C)c1ncc(C)s1)C1CC1
259308984	ZINC000322996851	low	4.38	-30.62	1	209.293	2.012	1	3	5	CC[C@@](C)(CNc1cc[nH+]c(C)n1)OC
342085575	ZINC000625356191	ref	6.69	-3.77	0	278.396	1.94	1	2	2	C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
365626888	ZINC000617394402	ref	1.89	-5.76	0	257.33	0.411	1	4	4	COC[C@@](C)(O)C(=O)N1CCO[C@](C)(C2CC2)C1
365626892	ZINC000617399119	ref	2.61	-13.46	0	252.314	0.15	1	3	2	C[C@@]1(C2CC2)CN(C(=O)[C@H]2CNC(=O)C2)CCO1
168365543	ZINC000368506370	ref	10.39	-45.29	1	331.456	3.08	1	3	5	COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21
168365796	ZINC000043353091	ref	1.35	-40.15	1	179.267	1.032	1	2	3	C[C@@H]([NH3+])[C@@H](c1ccncc1)N(C)C
282121069	ZINC000151608779	ref	9.37	-7.82	0	313.401	2.432	0	4	5	Cc1cnn(CCC(=O)N(C)[C@H](C)[C@H]2Cc3ccccc3O2)c1
282121077	ZINC000151606397	ref	2.86	-7.03	0	320.311	2.424	1	4	7	COC[C@H](NC(=O)c1ccc(OCC(F)(F)F)nc1)C(C)C
214179321	ZINC000293501808	ref	3.56	-15.84	0	374.441	0.813	3	4	7	CCC[C@@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C
214179327	ZINC000293491810	ref	1.72	-13.07	0	360.422	0.38	2	8	6	CCn1ncc(C(=O)N[C@@H]2CC[C@@H](NC(=O)c3cnn(CC)n3)CC2)n1
197600432	ZINC000162917831	ref	6.04	-13.83	0	301.346	1.827	1	4	2	COC(=O)N1CCC(NC(=O)c2ccc(C#N)cc2C)CC1
214179330	ZINC000293497699	ref	4.83	-15.64	0	374.441	0.92	2	6	9	COCCCn1ccc(NC(=O)C(=O)N(C)C[C@@H](O)Cc2ccccc2)n1
214190334	ZINC000053603378	mid	8.28	-48.66	1	332.366	3.143	2	2	8	Cc1cccc(NC(=O)C[N@@H+](C)CCCOCC(F)(F)F)c1C
342085576	ZINC000625355945	ref	0.03	-9.72	0	275.27	1.52	2	3	4	OCc1ccc(F)c(CN2CC(F)(F)C[C@H]2CO)c1
342085577	ZINC000625356033	ref	3.05	-12.93	0	255.343	1.007	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2ccn(C)n2)C1
342085578	ZINC000625355481	ref	4.1	-11.11	0	273.398	1.641	0	3	6	C=CC[C@@H]1CCN(S(=O)(=O)CC[C@H]2CCOC2)C1
342085579	ZINC000625355868	ref	4.16	-5.55	0	282.384	1.32	1	3	3	C[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CCCOC1
342085580	ZINC000625355105	ref	3.18	-9.04	0	255.343	1.007	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2ccnn2C)C1
342085581	ZINC000625355948	ref	4.81	-8.94	0	273.398	1.641	0	3	8	C=CC[C@H]1CCN(S(=O)(=O)CCOCC2CC2)C1
342085582	ZINC000625356146	ref	5.5	-10.89	0	284.315	1.981	1	4	2	Cc1cnccc1NC(=O)[C@]1(C)COc2ccccc2O1
342085583	ZINC000625356146	low	5.95	-35.91	1	284.315	1.981	1	3	2	Cc1c[nH+]ccc1NC(=O)[C@]1(C)COc2ccccc2O1
342085584	ZINC000625355898	ref	0.3	-9.02	0	273.283	1.539	1	5	4	OC[C@@H]1CC(F)(F)CN1Cc1noc(C2CCC2)n1
342085585	ZINC000625355978	ref	5.1	-9.92	0	273.398	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)C[C@H](OC)C2CC2)C1
432002789	ZINC000129203942	ref	6.81	-9.0	0	304.434	3.219	2	2	6	CC(C)c1ccc(CCCNC(=O)N[C@@H]2CCO[C@H]2C)cc1
214179326	ZINC000337609550	ref	8.13	-9.97	0	277.412	3.3	0	3	5	CCCC[C@@H](C)C(=O)N1CCCC[C@H]1c1cnn(C)c1
178296405	ZINC000237081835	ref	2.53	-66.66	1	362.451	1.537	2	4	8	COCCS(=O)(=O)c1ccc(C(=O)NC[C@H]([NH3+])c2ccccc2)cc1
214179332	ZINC000337608602	ref	4.24	-43.03	1	296.371	-0.286	2	5	5	C[C@@H](CO)[N@@H+]1CCCN(C(=O)COc2cnn(C)c2)CC1
178296406	ZINC000237081835	high	2.16	-16.35	0	362.451	1.537	2	5	8	COCCS(=O)(=O)c1ccc(C(=O)NC[C@H](N)c2ccccc2)cc1
365626889	ZINC000122283868	ref	6.45	-12.85	0	290.411	2.34	0	4	5	CCC[C@H](C)C(=O)N(C)[C@@H]1CCCN(c2cccnn2)C1
178296408	ZINC000237081718	ref	5.27	-47.5	1	365.499	1.27	2	3	8	C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccc(S(=O)(=O)NC2CC2)cc1
185091350	ZINC000096081282	ref	7.57	-46.67	1	259.353	1.6	2	1	4	O=C1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccc[nH]2)N1CC1CC1
178296410	ZINC000237081813	ref	7.53	-51.6	1	357.458	1.8	1	5	7	COCCN(Cc1ccccc1)C(=O)c1nnn(C2CC[NH2+]CC2)c1C
214179334	ZINC000337608602	mid	4.2	-42.8	1	296.371	-0.286	2	5	5	C[C@@H](CO)[N@H+]1CCCN(C(=O)COc2cnn(C)c2)CC1
214179336	ZINC000337608602	high	2.57	-13.98	0	296.371	-0.286	1	6	5	C[C@@H](CO)N1CCCN(C(=O)COc2cnn(C)c2)CC1
178296412	ZINC000237081189	ref	5.42	-49.36	1	370.497	1.933	2	3	3	CN1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1
178296413	ZINC000237081189	mid	7.77	-95.02	2	370.497	1.933	3	2	3	C[NH+]1CCN(C(=O)c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)cc2)CC1
178296415	ZINC000237071007	ref	1.89	-65.46	1	362.517	1.474	1	4	8	CCS(=O)(=O)c1cccc(S(=O)(=O)N(C)CC[C@H]([NH3+])C(C)C)c1
178296416	ZINC000237069306	ref	4.48	-57.73	1	355.385	1.476	2	3	7	C[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1
178296418	ZINC000237081188	ref	8.18	-40.93	1	356.47	1.686	1	4	7	COC[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1
342085586	ZINC000625355395	ref	6.33	-12.93	0	270.336	1.518	1	4	2	Cc1cn2c(n1)C[C@@H](C(=O)Nc1ccncc1C)CC2
214179340	ZINC000337608982	ref	7.85	-6.74	0	252.402	3.301	2	1	6	CC(C)C[C@@H](C)NC(=O)NCC1(C2CC2)CCC1
214179343	ZINC000337606690	ref	3.79	-43.49	1	276.402	-0.109	2	4	8	CN(CCOCCO)C(=O)C[N@H+](C)[C@H]1CCSC1
342085587	ZINC000625355853	ref	4.92	-19.31	0	296.33	1.586	1	4	3	Cc1cnccc1NC(=O)c1cncc(N2CCCC2=O)c1
178296419	ZINC000237081188	mid	7.87	-10.84	0	356.47	1.686	1	5	7	COC[C@H]1CCCN(C(=O)[C@@H](N)Cc2cn(Cc3ccccc3)cn2)C1
178296420	ZINC000237081188	low	8.73	-115.71	2	356.47	1.686	1	3	7	COC[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)c[nH+]2)C1
192339981	ZINC000273864540	ref	6.71	-12.48	0	297.24	2.583	0	6	3	Cc1nnc2ccc(-c3nc(CCC(F)(F)F)no3)cn12
178296422	ZINC000237080967	ref	4.89	-47.43	1	365.499	1.446	2	3	7	C[NH2+]C[C@H]1CCCN(C(=O)c2cccc(S(=O)(=O)NCC3CC3)c2)C1
178296423	ZINC000237081257	ref	3.07	-52.41	1	355.504	1.705	2	3	8	CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
178296424	ZINC000237081257	high	2.77	-11.4	0	355.504	1.705	2	4	8	CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N(C)C(C)C)cc1
178296425	ZINC000237074590	ref	3.5	-66.17	1	373.906	1.594	2	3	6	CN(CC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(Cl)cc1
178296427	ZINC000237072719	ref	5.64	-46.14	1	371.478	1.437	1	3	8	C[NH2+]C[C@@H]1CCCN1C(=O)CCCN(C)S(=O)(=O)c1ccc(F)cc1
178296428	ZINC000237080024	ref	4.35	-51.79	1	367.515	1.421	2	4	7	CCS(=O)(=O)c1ccc(N2CCC(NC(=O)[C@@H](C)C[NH2+]C)CC2)cc1
178296430	ZINC000237070295	ref	3.72	-59.42	1	358.236	1.358	2	3	5	CN(CC(=O)N[C@@H]1CCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1
178296432	ZINC000237070939	ref	5.05	-55.32	1	354.248	1.446	2	2	5	C[NH2+]CCNC(=O)[C@H]1CC(=O)N(c2ccc(Br)c(C)c2)C1
178296433	ZINC000237069791	ref	4.02	-51.73	1	360.277	1.451	2	3	4	CN(CC(=O)N[C@@H]1CCC[NH2+]C1)C(=O)c1ccc(Br)s1
192339983	ZINC000273863572	ref	2.29	-7.42	0	253.277	1.91	2	3	2	C[C@@H]1C[C@H](NC(=O)Nc2ccncc2F)CCO1
342085588	ZINC000625355853	low	5.38	-43.01	1	296.33	1.586	1	3	3	Cc1c[nH+]ccc1NC(=O)c1cncc(N2CCCC2=O)c1
178296436	ZINC000237081924	ref	6.78	-50.7	-1	351.794	1.926	1	7	8	CC[C@H](C(=O)NCCCC(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
178296438	ZINC000237074768	ref	4.6	-60.8	1	372.263	1.748	2	3	5	CN(CC(=O)N[C@H]1CCCC[C@H]1C[NH3+])C(=O)c1ccc(Br)o1
192339989	ZINC000273863746	ref	3.75	-6.85	0	281.331	2.402	2	3	3	CO[C@@H]1[C@H](C)[C@@H](NC(=O)Nc2ccncc2F)C1(C)C
178296439	ZINC000237080447	ref	3.02	-50.76	1	356.488	1.552	1	4	9	COCCS(=O)(=O)c1ccc(C(=O)N(C)CC[C@@H]([NH3+])C(C)C)cc1
192339991	ZINC000273863801	ref	6.17	-38.92	1	299.361	3.443	2	2	5	C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC(C)(CO)CC1
342085589	ZINC000625356177	ref	5.64	-29.29	1	284.444	1.578	2	3	7	CCO[C@H](CN1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC1
192339990	ZINC000081924987	ref	9.4	-6.67	0	318.467	3.778	0	4	2	CC1(C)CN(C(=O)c2csc(-c3ccccc3)n2)CCS1
342600279	ZINC000590850346	low	7.36	-43.99	1	292.383	1.799	1	3	4	O=C(NCC[C@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1
214179325	ZINC000278476267	ref	10.79	-17.99	0	322.408	3.409	0	2	5	CCN(C(=O)Cc1cccc(N2CCCC2=O)c1)c1ccccc1
214179329	ZINC000278477444	ref	5.88	-12.59	0	321.333	2.322	1	7	8	CC[C@@H](O)c1nccn1CCOc1ccc(OC)cc1[N+](=O)[O-]
214179333	ZINC000278477872	ref	5.25	-18.06	0	306.362	3.151	2	4	4	CCOC(=O)Nc1ccc(NC(=O)[C@H]2CCC(C)(C)O2)cc1
214179338	ZINC000278477634	ref	4.49	-10.02	0	309.316	3.227	0	5	5	COc1ccccc1C[C@@H]1CCCN1c1nnc(C(F)F)o1
197600416	ZINC000290115851	ref	2.39	-18.06	0	294.735	1.309	1	3	4	CN(CC(=O)Nc1cccc(F)c1Cl)S(C)(=O)=O
342600280	ZINC000590850489	ref	5.63	-12.99	0	266.345	1.266	1	4	5	CCOCCNC(=O)N1CCC[C@@H](n2ccnc2)C1
192339993	ZINC000081924297	ref	4.32	-46.24	1	313.419	2.279	1	4	5	CC[NH2+][C@@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCO2
365626890	ZINC000336546088	ref	3.97	-37.85	1	251.374	2.242	1	3	3	Cc1nc(C(C)C)oc1CN1CC[N@H+](C)C[C@@H]1C
342600281	ZINC000590850489	low	6.34	-36.09	1	266.345	1.266	1	3	5	CCOCCNC(=O)N1CCC[C@@H](n2cc[nH+]c2)C1
214179344	ZINC000278477606	ref	4.03	-14.3	0	300.366	1.375	2	5	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCN2C2CC2)n[nH]1
214179348	ZINC000278477606	mid	4.13	-15.63	0	300.366	1.375	2	5	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCN2C2CC2)[nH]n1
282121070	ZINC000533460389	mid	6.14	-39.83	1	254.374	1.236	2	2	3	CCC(=O)N1CCC[N@@H+](CC2(O)CCCC2)CC1
398247558	ZINC000649445483	ref	5.08	-9.21	0	235.308	2.712	0	4	3	c1cc2cnsc2cc1OC[C@H]1CCOC1
192339995	ZINC000081924297	mid	3.4	-12.36	0	313.419	2.279	1	5	5	CCN[C@@H](CS(=O)(=O)C(C)(C)C)c1ccc2c(c1)OCO2
192339998	ZINC000081926927	ref	1.13	-45.93	1	303.405	1.145	1	5	2	[NH3+][C@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2
192340001	ZINC000081926927	high	0.81	-10.13	0	303.405	1.145	1	6	2	N[C@H]1CCC2(C[C@H]1S(=O)(=O)c1cccs1)OCCO2
192340004	ZINC000081925265	ref	7.0	-9.03	0	319.455	3.173	0	5	2	CC1(C)CN(C(=O)c2cnc(-c3ccncc3)s2)CCS1
192340007	ZINC000081927756	ref	7.97	-15.14	0	318.398	1.637	0	4	2	CC1(C)CN(C(=O)CN2C(=O)c3ccccc3C2=O)CCS1
192340010	ZINC000081926201	ref	9.16	-8.37	0	304.419	2.178	0	5	2	Cn1ncc(C(=O)N2CCSC(C)(C)C2)c1-n1cccc1
365626891	ZINC000336546088	mid	3.54	-38.56	1	251.374	2.242	1	3	3	Cc1nc(C(C)C)oc1CN1CC[N@@H+](C)C[C@@H]1C
365626899	ZINC000336546088	mid	1.59	-5.66	0	251.374	2.242	0	4	3	Cc1nc(C(C)C)oc1CN1CCN(C)C[C@@H]1C
178296440	ZINC000013535549	ref	5.38	-14.96	0	233.292	2.977	1	3	0	Cc1cc2cc3c(cc2[nH]c1=S)OCCO3
178296442	ZINC000013535549	high	4.94	-48.67	-1	233.292	2.977	0	3	0	Cc1cc2cc3c(cc2[n-]c1=S)OCCO3
185091351	ZINC000096081282	mid	7.47	-47.01	1	259.353	1.6	2	1	4	O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccc[nH]2)N1CC1CC1
185091353	ZINC000096081282	high	4.94	-8.68	0	259.353	1.6	1	2	4	O=C1C[C@H]2[C@@H](CCN2Cc2ccc[nH]2)N1CC1CC1
178296445	ZINC000005445974	ref	4.75	-10.57	0	212.256	2.31	2	3	0	Cc1cc2cc3c(N)n[nH]c3nc2cc1C
342600282	ZINC000616998751	ref	2.34	-42.52	1	293.367	1.229	3	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1
214179328	ZINC000053366257	ref	7.68	-15.09	0	330.359	3.011	1	4	3	CC(=O)c1cc(C(=O)N[C@H]2CCCOc3ccc(F)cc32)n(C)c1
342600283	ZINC000616998751	mid	2.32	-42.11	1	293.367	1.229	3	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ccc(C(N)=O)o2)C1
178296449	ZINC000257324742	ref	6.22	-9.36	0	219.671	3.318	0	2	1	Cc1cc2cc(Cl)c(C=O)nc2cc1C
190492689	ZINC000269419073	ref	6.22	-6.91	0	296.754	2.298	1	4	5	CCOC(=O)c1cnc(C(=O)NC[C@@H]2C[C@H]2C)c(Cl)c1
178296451	ZINC000073195832	ref	9.53	-12.22	0	225.247	2.892	0	3	1	Cc1cc2ccc(=O)oc2cc1-n1cccc1
282121071	ZINC000261843257	ref	9.04	-35.94	1	330.516	3.491	2	2	7	CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)c1ccccc1
185091357	ZINC000096080687	ref	4.3	-16.99	0	294.376	0.931	0	3	3	CCS(=O)(=O)N1C[C@H]2CN(c3ccccc3)C(=O)[C@H]2C1
178296456	ZINC000020271044	ref	7.22	-4.88	0	226.106	4.158	0	1	0	Cc1cc2cc(Cl)cc(C)c2nc1Cl
342600284	ZINC000616999256	ref	8.04	-41.49	1	292.427	1.589	2	3	5	Cn1cncc1CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
178296460	ZINC000336423158	ref	6.97	-10.48	0	242.322	3.605	2	1	2	Cc1cc2cc[nH]c2cc1NC(=O)C1CCCC1
178296461	ZINC000090377033	ref	5.3	-7.36	0	204.225	2.787	0	3	1	Cc1cc2ccc(C3OCCO3)cc2o1
185091358	ZINC000096081426	ref	3.3	-56.56	1	291.355	-0.45	3	3	3	CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1
178296464	ZINC000329341341	ref	3.89	-15.45	0	244.294	2.451	2	2	2	Cc1cc2cc(NC(=O)C3(C)COC3)ccc2[nH]1
365626908	ZINC000336546406	ref	3.16	-15.03	0	280.176	2.426	0	3	3	O=[S@](Cc1ncc(Cl)cc1Cl)[C@H]1CCOC1
365626915	ZINC000336546316	ref	5.86	-8.67	0	253.367	2.429	1	3	3	CC(C)[C@H](O)C(=O)N1CCC[C@@H]1c1cccs1
365626893	ZINC000623057147	ref	1.72	-51.48	1	316.361	1.163	3	3	3	[NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)C1
342600285	ZINC000616999256	mid	8.03	-42.03	1	292.427	1.589	2	3	5	Cn1cncc1CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
365626900	ZINC000623057147	high	-0.09	-78.15	0	316.361	1.163	2	3	3	[NH3+]CC[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C1
178296441	ZINC000237071067	ref	7.7	-86.5	2	372.513	1.469	3	2	6	C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
178296443	ZINC000237071067	high	5.21	-38.91	1	372.513	1.469	2	3	6	CN(C)Cc1cccc(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
178296444	ZINC000237075308	ref	3.37	-58.45	1	358.236	1.358	2	3	5	CN(CC(=O)N[C@H]1CCC[C@@H]1C[NH3+])C(=O)c1ccc(Br)o1
178296446	ZINC000237072005	ref	5.48	-52.27	1	365.499	1.607	1	3	4	C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(N3CCCS3(=O)=O)cc2C)C1
178296447	ZINC000237077544	ref	4.75	-50.79	1	365.499	1.507	2	3	6	C[NH2+]CC1CCN(C(=O)c2cc(S(=O)(=O)NC3CC3)ccc2C)CC1
178296448	ZINC000237072933	ref	7.48	-48.26	1	351.45	1.762	2	2	5	CN(C)C(=O)c1cccc(CCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c1
214179331	ZINC000053357761	ref	5.72	-15.46	0	328.416	2.389	2	3	3	CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1
178296450	ZINC000237072933	mid	6.06	-17.29	0	351.45	1.762	2	3	5	CN(C)C(=O)c1cccc(CCNC(=O)[C@H]2Cc3ccccc3CN2)c1
178296452	ZINC000237080493	ref	6.79	-58.0	1	352.485	1.2	1	6	5	CN(C(=O)CSCc1cc(=O)n2ccsc2n1)C1CC[NH2+]CC1
178296453	ZINC000237076001	ref	4.12	-13.26	0	359.47	1.276	2	4	5	CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2COCCN2)CC1)c1ccccc1
178296454	ZINC000237076001	mid	5.54	-46.39	1	359.47	1.276	2	3	5	CC[C@H](C(=O)N1CCC(NC(=O)[C@H]2COCC[NH2+]2)CC1)c1ccccc1
178296455	ZINC000237075222	ref	1.61	-46.85	1	359.264	1.678	3	3	8	CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H](O)COc1ccccc1Br
192339994	ZINC000273863801	high	4.19	-6.29	0	299.361	3.443	1	3	5	C[C@H](c1ccc(OC(F)F)cc1)N1CCC(C)(CO)CC1
178296457	ZINC000237075222	high	1.29	-9.99	0	359.264	1.678	3	4	8	CC[C@H](C)[C@@H](N)C(=O)NC[C@@H](O)COc1ccccc1Br
178296459	ZINC000237075232	ref	7.21	-50.04	1	367.449	1.365	2	3	6	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCO1)c1ccccc1
178296463	ZINC000237075232	mid	5.86	-12.05	0	367.449	1.365	2	4	6	CN(C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CNCCO1)c1ccccc1
342600286	ZINC000616999256	low	8.55	-78.63	2	292.427	1.589	2	2	5	Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600287	ZINC000616999256	low	8.55	-79.04	2	292.427	1.589	2	2	5	Cn1c[nH+]cc1CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600288	ZINC000616998990	ref	5.29	-18.42	0	271.328	1.575	2	6	5	CC[C@@H](C)c1nnc([C@H](C)Nc2ccc(C#N)nn2)[nH]1
365626894	ZINC000641593940	ref	3.84	-17.76	0	288.351	1.159	2	2	2	NC(=O)N1CC[C@@H](CNC(=O)N2CCc3ccccc32)C1
365626907	ZINC000641593417	ref	3.48	-11.47	0	281.381	1.114	1	3	6	CN(C1CC1)S(=O)(=O)NC[C@@H]1C[C@H]1c1cccnc1
342600289	ZINC000616998990	mid	4.78	-11.89	0	271.328	1.575	2	6	5	CC[C@@H](C)c1nc([C@H](C)Nc2ccc(C#N)nn2)n[nH]1
342600290	ZINC000616999255	ref	8.03	-42.59	1	292.427	1.589	2	3	5	Cn1cncc1CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214179335	ZINC000053366272	ref	4.97	-17.97	0	343.83	2.656	2	3	9	CCCNC(=O)CN(CCC)CC(=O)Nc1ccc(F)c(Cl)c1
342600291	ZINC000616999255	mid	7.98	-42.37	1	292.427	1.589	2	3	5	Cn1cncc1CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
214179339	ZINC000053366272	low	6.88	-47.93	1	343.83	2.656	3	2	9	CCCNC(=O)C[N@H+](CCC)CC(=O)Nc1ccc(F)c(Cl)c1
342600292	ZINC000616999255	low	8.54	-79.37	2	292.427	1.589	2	2	5	Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600293	ZINC000616999255	low	8.49	-79.06	2	292.427	1.589	2	2	5	Cn1c[nH+]cc1CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600294	ZINC000616999149	ref	4.26	-17.76	0	290.429	1.305	0	3	4	C[C@@H](N(C)C(=O)CCN1CCCS1(=O)=O)C(C)(C)C
214179342	ZINC000053366272	low	6.9	-49.65	1	343.83	2.656	3	2	9	CCCNC(=O)C[N@@H+](CCC)CC(=O)Nc1ccc(F)c(Cl)c1
342600295	ZINC000616998711	ref	5.07	-40.91	1	270.417	1.774	3	2	6	CCC[C@H](O)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214179346	ZINC000053366957	ref	4.95	-41.39	1	326.441	0.945	3	3	10	CCCNC(=O)C[N@H+](CCC)CCCN1C(=O)NC(C)(C)C1=O
342600296	ZINC000616998711	mid	5.0	-40.42	1	270.417	1.774	3	2	6	CCC[C@H](O)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600297	ZINC000590850463	ref	3.29	-19.97	0	286.397	1.005	1	3	3	O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C1CC1
342600298	ZINC000590850810	ref	8.16	-20.32	0	288.355	1.126	1	5	4	O=C(NCCn1ccnc1)N1CCC[C@@H](n2ccnc2)C1
342600299	ZINC000590850810	low	9.38	-80.2	2	288.355	1.126	1	3	4	O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](n2cc[nH+]c2)C1
342600300	ZINC000590850810	low	8.67	-47.1	1	288.355	1.126	1	4	4	O=C(NCCn1cc[nH+]c1)N1CCC[C@@H](n2ccnc2)C1
365626919	ZINC000641593226	ref	2.74	-7.5	0	288.438	1.771	0	4	2	Cc1csc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c1
282121072	ZINC000533460389	high	3.73	-8.63	0	254.374	1.236	1	3	3	CCC(=O)N1CCCN(CC2(O)CCCC2)CC1
282121078	ZINC000533454431	ref	5.22	-9.77	0	286.282	1.098	1	4	5	CCn1nccc1NC(=O)C(=O)N(CC(F)F)C1CC1
282121084	ZINC000533458427	ref	1.64	-10.62	0	269.345	1.328	2	5	7	CCCCn1ncc(NC(=O)[C@](C)(O)COC)c1C
230742172	ZINC000425578256	ref	7.28	-15.85	0	318.421	2.014	1	3	6	CCC(=O)N1CCN(C(=O)N[C@@H](C)CCCc2cccnc2)C1
178296468	ZINC000082791817	ref	7.9	-5.55	0	275.392	2.904	0	3	2	COC(=O)[C@H](C)N1CCc2ccc(C(C)(C)C)cc2C1
178296470	ZINC000082791817	low	10.48	-36.26	1	275.392	2.904	1	2	2	COC(=O)[C@H](C)[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1
365626895	ZINC000274332135	ref	4.5	-15.51	0	290.319	1.234	2	4	3	COC(=O)C1(C(=O)N[C@H]2CCCc3[nH]c(=O)ccc32)CC1
178296473	ZINC000082791817	low	10.42	-35.99	1	275.392	2.904	1	2	2	COC(=O)[C@H](C)[N@H+]1CCc2ccc(C(C)(C)C)cc2C1
282121090	ZINC000533464223	ref	5.18	-21.73	0	289.335	1.884	2	3	6	CC(C)COc1cccc(OCC(=O)N=c2cc[nH][nH]2)c1
282121097	ZINC000533452835	ref	0.5	-8.78	0	272.37	1.394	2	5	6	COC[C@@](C)(O)CNC(=O)c1cnc(C(C)C)s1
282121106	ZINC000533465101	ref	8.02	-14.62	0	294.318	1.926	1	6	3	Cc1cc(C)nc(NC(=O)c2ccc(-n3ccnc3)nn2)c1
282123585	ZINC000533474443	ref	5.68	-10.16	0	288.351	1.644	0	6	6	CCn1cc(CN(C)[C@H](C(=O)OC)c2cccnc2)cn1
230742178	ZINC000425576186	ref	5.59	-8.85	0	302.418	2.325	3	2	7	O=C(NC[C@@H](O)Cc1ccccc1)NC[C@@H]1C[C@H]1C1CCC1
342085590	ZINC000625356177	mid	5.36	-29.85	1	284.444	1.578	2	3	7	CCO[C@H](CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C)C1CC1
342085591	ZINC000625356177	mid	3.16	-2.6	0	284.444	1.578	2	3	7	CCO[C@H](C[N@@H+]1CCN(CC(C)(C)O)C[C@H]1C)C1CC1
342085592	ZINC000625356177	mid	5.36	-29.85	1	284.444	1.578	2	3	7	CCO[C@H](C[N@H+]1CCN(CC(C)(C)O)C[C@H]1C)C1CC1
365626905	ZINC000274332918	ref	5.5	-9.3	0	267.329	1.65	2	4	5	CCC[C@H](NC(=O)c1cnc[nH]1)C(=O)OC(C)(C)C
365626916	ZINC000274332854	ref	5.8	-46.01	1	259.353	1.47	1	2	2	CCc1cccnc1C(=O)N1CC[C@]2(CC[NH2+]C2)C1
365626929	ZINC000274334651	ref	3.6	-20.75	0	292.36	1.633	1	4	6	CCC(=O)CNS(=O)(=O)Cc1cccc2cccnc12
365626938	ZINC000274334651	high	3.21	-56.64	-1	292.36	1.633	0	4	6	CCC(=O)C[N-]S(=O)(=O)Cc1cccc2cccnc12
342085593	ZINC000625356177	high	3.16	-2.6	0	284.444	1.578	1	4	7	CCO[C@H](CN1CCN(CC(C)(C)O)C[C@H]1C)C1CC1
342085594	ZINC000625355511	ref	5.93	-12.28	0	296.411	1.52	0	3	3	COCCC1CCN(C(=O)C(=O)N2CCC(C)CC2)CC1
342600301	ZINC000616999236	ref	6.6	-39.56	1	270.417	1.894	2	2	5	CO[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
342600302	ZINC000616999236	mid	6.61	-40.16	1	270.417	1.894	2	2	5	CO[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
342600303	ZINC000590851072	ref	5.11	-15.51	0	293.392	1.555	1	3	1	C[C@@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)CC[S@@]1=O
342600304	ZINC000616999132	ref	-0.32	-43.43	-1	262.269	1.01	2	4	4	COc1cccc([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]2)c1
342600305	ZINC000616998743	ref	6.68	-37.18	1	264.373	1.27	2	3	3	Cn1cnc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1
342600306	ZINC000616998743	mid	6.68	-37.64	1	264.373	1.27	2	3	3	Cn1cnc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1
178296466	ZINC000237072276	ref	5.31	-49.22	1	368.499	1.85	1	4	9	C[NH2+]C[C@@H]1CCCN1C(=O)CCCCOc1ccc(S(C)(=O)=O)cc1
178296467	ZINC000237075760	ref	9.04	-53.73	1	374.51	1.937	1	5	4	CN(C(=O)CCn1cnc2sc3c(c2c1=O)CCCC3)C1CC[NH2+]CC1
214179337	ZINC000293504612	ref	4.99	-12.98	0	362.386	0.315	1	7	3	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1C[C@]2(CCCO2)[C@H]1C1CC1
192339997	ZINC000273864595	ref	2.53	-10.12	0	281.312	0.947	1	6	7	CCCC[C@@H](NC(=O)c1ccc(OC)nn1)C(=O)OC
342600307	ZINC000616998848	ref	5.25	-46.23	1	276.384	1.635	2	3	3	Cc1nnccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365626896	ZINC000576570403	ref	6.54	-8.9	0	235.331	2.122	1	2	3	CCC1CCN(C(=O)NCC2(C#N)CC2)CC1
178296469	ZINC000237071443	ref	6.1	-52.75	1	350.484	1.549	1	3	5	CN(C(=O)CCS(=O)(=O)c1ccc2c(c1)CCC2)C1CC[NH2+]CC1
192340000	ZINC000273861892	ref	2.58	-16.77	0	284.385	0.886	2	6	5	CNc1nnc(CC(=O)N(C)CC2(O)CCCC2)s1
178296472	ZINC000237071109	ref	5.88	-51.05	-1	373.203	1.484	1	5	5	CN(CC(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)C(=O)c1ccc(Br)o1
342600308	ZINC000616998848	mid	5.19	-45.85	1	276.384	1.635	2	3	3	Cc1nnccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
192340003	ZINC000273865027	ref	6.44	-5.73	0	275.396	3.387	1	4	2	Cc1cnc(C)c(N[C@@H]2CCOC3(CCCCC3)C2)n1
178296474	ZINC000237076434	ref	4.13	-58.4	1	354.472	1.315	1	4	6	C[NH2+]C1CCN(C(=O)[C@@H](C)CS(=O)(=O)c2ccc(OC)cc2)CC1
342600309	ZINC000590849825	ref	0.54	-12.91	0	256.346	1.158	3	3	4	O=C(NCC[C@@H]1CCCO1)N[C@@H]1CCCC[C@H]1O
342600310	ZINC000590850345	ref	6.7	-15.76	0	292.383	1.799	1	4	4	O=C(NCC[C@@H]1CCCO1)N1CCC(n2ccnc2)CC1
342600311	ZINC000590850345	low	7.38	-43.99	1	292.383	1.799	1	3	4	O=C(NCC[C@@H]1CCCO1)N1CCC(n2cc[nH+]c2)CC1
398247559	ZINC000356351959	ref	2.09	-8.47	0	202.298	1.509	2	2	6	CCC[C@H](CNC(=O)NC(C)C)OC
214179341	ZINC000293503718	ref	2.79	-14.61	0	368.397	0.753	2	7	3	Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](n2cc(CO)nn2)C1
365626897	ZINC000354693876	ref	6.78	-34.09	1	277.364	1.92	1	4	5	COC(=O)[C@H]1c2ccccc2CCN1CCC[C@@H](C)O
365626903	ZINC000354693876	low	7.11	-34.7	1	277.364	1.92	2	3	5	COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCC[C@@H](C)O
178296471	ZINC000128609055	ref	4.36	-12.99	0	241.25	2.717	2	3	2	Cc1cc2cc(NC(=O)c3ccon3)ccc2[nH]1
214179345	ZINC000293489415	ref	1.51	-16.04	0	365.43	0.806	4	5	8	CCNC(=O)COc1ccc(NC(=O)C(=O)N[C@H](CC)C(C)(C)O)cc1
214179349	ZINC000293497803	ref	6.57	-80.69	0	374.441	0.747	1	5	6	CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)[N-]OCC3CC3)c2)CC1
178296476	ZINC000237910715	ref	3.03	-55.07	1	229.283	1.906	3	1	2	Cc1cc2cc(NC(=O)C3([NH3+])CC3)ccc2[nH]1
282121073	ZINC000449150656	ref	5.57	-48.77	1	289.354	2.231	2	3	5	Cn1cc(C[NH2+]CC2(O)CCC2)c(-c2ccc(F)cc2)n1
178296484	ZINC000237910715	high	2.74	-12.04	0	229.283	1.906	3	2	2	Cc1cc2cc(NC(=O)C3(N)CC3)ccc2[nH]1
214179356	ZINC000293497803	low	6.57	-80.69	0	374.441	0.747	2	4	6	CC(=O)N1CC[NH+](Cc2cccc(NC(=O)C(=O)[N-]OCC3CC3)c2)CC1
214179361	ZINC000293501108	ref	2.44	-49.51	0	362.423	0.512	3	5	7	COC(=O)c1cc(S(=O)(=O)NC[C@](C)(O)C[NH+](C)C)c(F)cc1C
214179365	ZINC000293501108	high	2.44	-49.51	0	362.423	0.512	2	5	7	COC(=O)c1cc(S(=O)(=O)[N-]C[C@](C)(O)C[NH+](C)C)c(F)cc1C
214179368	ZINC000293501810	ref	3.56	-15.84	0	374.441	0.813	3	4	7	CCC[C@H](C)C(=O)NCCNC(=O)C(=O)Nc1ccc2c(c1)CC(=O)N2C
214179371	ZINC000293497702	ref	5.13	-14.27	0	374.441	0.92	2	6	9	COCCCn1ccc(NC(=O)C(=O)N(C)C[C@H](O)Cc2ccccc2)n1
342085595	ZINC000625355979	ref	6.84	-10.75	0	298.427	1.91	0	3	7	CCCCN(CC)C(=O)C(=O)N1CCC(CCOC)CC1
178296487	ZINC000033468886	ref	6.01	-5.05	0	240.075	3.445	0	1	0	Cc1cc2cc(F)ccc2nc1Br
398247561	ZINC000649442213	ref	3.52	-7.83	0	217.272	2.108	0	4	2	COc1ccc(-c2cn(C)nc2C)c(C)n1
214179379	ZINC000293494973	ref	4.75	-20.19	0	355.398	0.879	1	5	4	N#Cc1ccc(O[C@@H]2CCN(C(=O)N[C@@H]3CC(=O)N(C4CC4)C3)C2)nc1
214179384	ZINC000293491134	ref	1.21	-13.82	0	369.263	0.677	2	4	5	CN(C)c1cc(Br)cc(C(=O)NCCN2CCNC(=O)C2)c1
398247562	ZINC000649442278	ref	7.1	-6.44	0	245.347	3.907	0	3	4	Cc1ccsc1-c1cccnc1OCC1CC1
342085596	ZINC000625355944	ref	-0.01	-8.83	0	275.27	1.52	2	3	4	OCc1ccc(F)c(CN2CC(F)(F)C[C@@H]2CO)c1
192340005	ZINC000421443664	ref	6.76	-9.41	0	245.313	2.974	1	1	3	C[C@@H]1CCCC[C@H]1CNC(=O)[C@@]1(C)CC1(F)F
178296477	ZINC000237070922	ref	6.06	-51.1	1	350.85	1.941	2	2	4	C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(Cl)c(N3CCNC3=O)c2)C1
178296479	ZINC000237070058	ref	8.55	-53.41	-1	351.79	1.758	0	6	8	COCCN(CC(=O)[O-])C(=O)c1cnn(Cc2ccccc2Cl)c1
178296481	ZINC000237072171	ref	2.35	-52.39	1	362.293	1.627	1	3	3	CN(C)c1ccc(Br)c(S(=O)(=O)N2CCC([NH3+])CC2)c1
178296483	ZINC000237077072	ref	4.75	-49.96	1	354.248	1.389	2	2	4	CN(C(=O)CNC(=O)c1cccc(Br)c1)C1CC[NH2+]CC1
178296486	ZINC000237080092	ref	7.6	-54.22	1	359.499	1.882	1	5	5	CCc1nsc(N2CCCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)n1
178296488	ZINC000237080092	high	7.22	-9.42	0	359.499	1.882	1	6	5	CCc1nsc(N2CCCN(C(=O)[C@@H](CN)c3ccccc3)CC2)n1
192340008	ZINC000421443435	ref	8.13	-7.96	0	233.311	2.817	0	2	4	CC(C)N(Cc1ccco1)C(=O)[C@H]1CC12CC2
192340009	ZINC000421442940	ref	8.99	-6.67	0	248.37	3.251	0	2	4	CCCN(CC)C(=O)c1ccc(C(C)(C)C)cn1
192340012	ZINC000421443301	ref	5.79	-10.31	0	241.331	1.298	0	3	8	COCCCN(CCOC)C(=O)[C@@H]1CC12CC2
192340015	ZINC000421444763	ref	7.23	-10.79	0	246.266	2.011	1	3	4	O=C(NCc1ccc([N+](=O)[O-])cc1)[C@H]1CC12CC2
192340019	ZINC000421443811	ref	6.83	-6.89	0	209.333	2.727	1	1	4	CC[C@H](C)[C@H](C)NC(=O)[C@@]12CCC[C@@H]1C2
178296490	ZINC000237075828	ref	7.98	-54.25	1	371.485	1.924	1	5	9	COCCN(CCCc1ccccc1)C(=O)c1cn(C2CC[NH2+]CC2)nn1
178296493	ZINC000237081141	ref	3.66	-53.04	1	353.85	1.205	2	3	6	COc1ccc(Cl)cc1CC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178296494	ZINC000237079335	ref	7.29	-48.93	1	363.527	1.677	2	3	8	C[NH2+]C1CCN(C(=O)[C@@H](CCSC)NC(=O)Cc2ccccc2)CC1
178296500	ZINC000237070858	ref	7.4	-52.99	1	374.222	1.88	1	2	4	C[NH2+]C1CCN(C(=O)COc2ccc(I)cc2)CC1
365626898	ZINC000172867284	ref	4.47	-8.21	0	275.352	1.83	2	3	3	CC1(C)[C@@H](NC(=O)c2cc(C3CC3)n[nH]2)[C@H]2CCO[C@@H]21
178296502	ZINC000237077803	ref	5.01	-49.83	1	351.472	1.08	1	3	4	C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)C1
342085597	ZINC000625355260	ref	6.59	-4.15	0	278.396	1.797	1	2	2	CC1CCN(C(=O)C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)CC1
365626909	ZINC000565339794	ref	5.39	-14.26	0	293.323	1.614	2	4	7	CCO[C@H]1C[C@H]1NC(=O)NCCc1ccc([N+](=O)[O-])cc1
192340022	ZINC000421441944	ref	5.39	-11.17	0	237.347	2.074	1	3	5	CC[C@@H](NC(=O)[C@@H](C)c1ccnn1C)C(C)C
365626901	ZINC000122228658	ref	3.52	-43.81	1	267.398	2.185	2	3	5	O=C(NCC[NH2+]C1CCCCCC1)c1cscn1
185091360	ZINC000096081426	mid	3.08	-47.0	1	291.355	-0.45	3	3	3	CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1
342085598	ZINC000625355924	ref	4.8	-10.47	0	275.414	1.887	0	3	8	C=CC[C@@H]1CCN(S(=O)(=O)C[C@@H](C)COCC)C1
178296499	ZINC000063116309	ref	5.81	-8.32	0	249.697	3.358	0	3	0	Cc1cc2cc3c(cc2nc1Cl)OCCCO3
398247564	ZINC000356344615	ref	5.01	-117.79	2	248.37	2.536	2	1	6	CCC[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)OC
178296504	ZINC000075607025	ref	2.38	-11.95	0	206.197	1.821	2	4	0	Cc1cc2cc(O)c(C)c(O)c2c(=O)o1
365626914	ZINC000122185804	ref	7.07	-5.82	0	284.359	2.266	0	4	3	c1ccc([C@H]2c3cccn3CCN2CC2OCCO2)cc1
230742190	ZINC000414362464	ref	5.88	-11.26	0	321.808	3.466	1	5	8	CCOCCOc1ccc(Cl)cc1NCc1ccc(C)nn1
365626925	ZINC000122185804	low	8.33	-31.79	1	284.359	2.266	1	3	3	c1ccc([C@H]2c3cccn3CC[N@H+]2CC2OCCO2)cc1
365626931	ZINC000122185804	low	9.14	-31.81	1	284.359	2.266	1	3	3	c1ccc([C@H]2c3cccn3CC[N@@H+]2CC2OCCO2)cc1
365626935	ZINC000122249818	ref	5.32	-10.39	0	284.319	2.405	1	5	3	CC(C)(C)[C@@H](C#N)NC(=O)c1cc(-c2cccnc2)on1
365626946	ZINC000122190793	ref	8.22	-35.02	1	259.353	2.227	2	2	4	C=CC[N@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1
365626954	ZINC000122190793	mid	8.07	-40.41	1	259.353	2.227	2	2	4	C=CC[N@@H+]1CCC[C@H](C(=O)Nc2cccc(C)n2)C1
365626960	ZINC000122190793	high	5.67	-12.14	0	259.353	2.227	1	3	4	C=CCN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1
365626968	ZINC000122320408	ref	6.7	-35.17	1	262.401	2.291	2	3	5	CC[C@H](C)CNc1ccc(N2CC[NH+](C)CC2)nc1
365626982	ZINC000122320408	mid	4.31	-4.76	0	262.401	2.291	1	4	5	CC[C@H](C)CNc1ccc(N2CCN(C)CC2)nc1
365626990	ZINC000122264114	ref	1.57	-10.64	0	292.335	2.05	1	5	3	COC(=O)N1CCC(/N=C\c2cc(OC)ccc2O)CC1
178296508	ZINC000075607025	high	3.15	-42.54	-1	206.197	1.821	1	4	0	Cc1cc2cc([O-])c(C)c(O)c2c(=O)o1
398247566	ZINC000356344615	mid	3.75	-42.65	1	248.37	2.536	2	2	6	CCC[C@H](CN[C@@H]1C[C@H]([NH3+])c2ccccc21)OC
398247568	ZINC000356344615	high	4.71	-34.88	1	248.37	2.536	2	2	6	CCC[C@H](C[NH2+][C@@H]1C[C@H](N)c2ccccc21)OC
398247571	ZINC000356358077	ref	3.37	-105.36	2	200.326	1.128	2	1	8	CO[C@@H](C[NH2+][C@H](C)CCC[NH3+])C1CC1
178296520	ZINC000011727514	ref	4.6	-7.04	0	235.714	3.558	1	2	1	Cc1cc2cc([C@@H](C)O)c(Cl)nc2cc1C
365639416	ZINC000172929219	ref	3.23	-9.61	0	280.343	1.378	1	3	5	C[C@@H](C(=O)NCCN1CCOCC1)c1cccc(F)c1
365626904	ZINC000175955422	ref	8.97	-37.91	1	248.37	1.729	1	1	3	O=C([C@@H]1C[C@@H]1C1CC1)N1CC[C@@H]([NH+]2CCCC2)C1
365626920	ZINC000175955422	high	6.56	-6.14	0	248.37	1.729	0	2	3	O=C([C@@H]1C[C@@H]1C1CC1)N1CC[C@@H](N2CCCC2)C1
342085599	ZINC000625355830	ref	5.95	-10.86	0	296.411	1.662	0	3	3	COCCC1CCN(C(=O)C(=O)N2CCCC[C@@H]2C)CC1
342085600	ZINC000625355503	ref	3.82	-10.06	0	261.387	1.639	0	3	7	C=CC[C@@H]1CCN(S(=O)(=O)[C@@H](C)CCOC)C1
349533744	ZINC000621484866	ref	4.07	-15.04	0	298.346	3.191	2	4	5	CC1(CNC(=O)Nc2ccc(Oc3cccnn3)cc2)CC1
342085601	ZINC000625355324	ref	3.89	-10.3	0	273.398	1.782	0	3	4	C=CC[C@@H]1CCN(S(=O)(=O)[C@H]2CCO[C@H](C)C2)C1
365626934	ZINC000175950024	ref	6.77	-5.75	0	223.316	1.67	0	2	4	CN(C[C@H]1CCCO1)C(=O)[C@@H]1C[C@@H]1C1CC1
365626953	ZINC000175953316	ref	7.36	-8.22	0	236.702	2.72	1	2	3	O=C(Nc1cc(Cl)ccn1)[C@@H]1C[C@@H]1C1CC1
342085602	ZINC000625355463	ref	0.29	-4.89	0	265.357	1.611	2	4	6	COc1cncc(C[N@@H+](C2CCCC2)[C@H](C)CO)n1
168365544	ZINC000306655122	ref	0.67	-47.03	1	182.223	0.745	2	2	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccco1
365626971	ZINC000576575880	ref	6.87	-10.5	0	249.293	2.131	1	5	5	CC[C@@H](F)CNc1ccc(-n2cnnn2)c(C)c1
199273333	ZINC000181259692	ref	2.52	-7.66	0	300.742	1.412	2	5	6	CCOC(=O)c1cnc(C(=O)N[C@@H](CC)CO)c(Cl)c1
230742197	ZINC000450474152	ref	9.81	-9.85	0	306.322	1.471	0	7	3	COC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1c1ncc([N+](=O)[O-])c(C)n1
342085603	ZINC000625355463	mid	2.4	-33.61	1	265.357	1.611	2	4	6	COc1cncc(C[N@H+](C2CCCC2)[C@H](C)CO)n1
365626992	ZINC000576576234	ref	3.35	-9.4	0	201.266	0.707	1	3	7	CCCOCC(=O)N[C@@H]1C[C@@H]1OCC
365626999	ZINC000576576992	ref	4.17	-41.11	1	240.347	2.437	2	3	7	CCC(CC)c1cc(C[NH2+][C@H](C)[C@@H](C)O)on1
282121074	ZINC000174635450	high	4.4	-16.69	0	316.409	0.557	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[C@H](N3CC=CC3)C1)CC2
342085604	ZINC000625355463	high	0.29	-4.89	0	265.357	1.611	1	5	6	COc1cncc(CN(C2CCCC2)[C@H](C)CO)n1
342085605	ZINC000625355871	ref	4.08	-5.55	0	282.384	1.32	1	3	3	C[C@H]1CCCCN1C(=O)C(=O)NCC[C@@H]1CCCOC1
342085606	ZINC000625355615	ref	4.0	-8.71	0	269.37	1.315	0	4	4	C=CC[C@H]1CCN(S(=O)(=O)c2c(C)cnn2C)C1
178305379	ZINC000062534552	low	7.3	-78.36	1	247.298	1.455	1	3	4	Cc1cc2[nH+]cn(CC[C@@H]([NH3+])C(=O)[O-])c2cc1C
342088586	ZINC000121544177	low	7.46	-40.8	1	289.383	1.732	1	4	6	CCn1nc(C(C)C)cc1C(=O)NCCc1c[nH+]cn1C
342088587	ZINC000121599171	ref	5.24	-44.98	1	287.407	1.914	2	2	3	C[C@@]1(C(=O)N[C@H]2CCCN(c3ccccc3)C2)CCC[NH2+]1
178296505	ZINC000237074905	ref	7.13	-95.79	2	370.501	1.763	3	4	8	Cc1c(C(=O)NCCC[N@@H+](C)Cc2ccccc2)nnn1C1CC[NH2+]CC1
178296507	ZINC000237074905	mid	7.14	-95.78	2	370.501	1.763	3	4	8	Cc1c(C(=O)NCCC[N@H+](C)Cc2ccccc2)nnn1C1CC[NH2+]CC1
365626906	ZINC000617400237	ref	4.33	-24.66	0	277.324	0.271	0	5	3	C[C@]1(C2CC2)CN(C(=O)Cn2cccnc2=O)CCO1
282123586	ZINC000533474523	ref	5.11	-20.68	0	287.363	1.656	1	4	3	C[C@@H](O)[C@H]1CCCN(C(=O)Cn2cc3ccccc3n2)C1
178296511	ZINC000237074905	high	4.81	-52.32	1	370.501	1.763	2	5	8	Cc1c(C(=O)NCCCN(C)Cc2ccccc2)nnn1C1CC[NH2+]CC1
178296513	ZINC000237071191	ref	0.99	-16.52	0	372.45	1.938	3	6	5	CC[C@@]1(c2ccc(NC(=O)c3csc(CN)n3)cc2)CCC(=O)NC1=O
178296516	ZINC000237071191	mid	1.39	-62.94	1	372.45	1.938	3	5	5	CC[C@@]1(c2ccc(NC(=O)c3csc(C[NH3+])n3)cc2)CCC(=O)NC1=O
178296519	ZINC000237075809	ref	5.67	-53.91	1	365.499	1.541	1	3	6	CN(C)C(=O)c1cccc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)c1
178296522	ZINC000237080880	ref	3.67	-52.94	1	353.85	1.205	2	3	6	COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
342600312	ZINC000194698070	ref	1.59	-9.83	0	272.692	1.826	3	4	2	CCOC(=O)NNC(=O)Nc1ccc(Cl)nc1C
398247565	ZINC000381282522	ref	5.46	-37.35	1	229.364	2.206	1	2	8	CC[C@H](C)[C@@H](C[NH2+]CC[C@@H]1CCCO1)OC
398247569	ZINC000649442291	ref	5.89	-9.73	0	246.31	2.421	0	4	5	COCCOc1cccc(-c2cn(C)nc2C)c1
178296529	ZINC000237081677	ref	2.67	-54.69	1	354.472	1.226	2	4	8	COCCS(=O)(=O)c1ccc(C(=O)NCC[C@H]2CCC[NH2+]C2)cc1
178305240	ZINC000237277686	ref	5.21	-66.29	1	353.422	1.864	2	3	6	COc1ccc(N2C[C@H](C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2=O)cc1
178305252	ZINC000237277686	high	4.77	-13.37	0	353.422	1.864	2	4	6	COc1ccc(N2C[C@H](C(=O)NC[C@@H](N)c3ccccc3)CC2=O)cc1
178305255	ZINC000237275706	ref	2.77	-52.85	1	364.471	1.979	1	6	5	COCc1nc(OC)c2c(C)c(C(=O)N(C)C3CC[NH2+]CC3)sc2n1
178305258	ZINC000237282090	ref	4.16	-45.77	1	356.422	1.649	2	4	5	COc1ccc(OC)c2c1CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]2O
185091362	ZINC000096081426	mid	3.45	-51.54	1	291.355	-0.45	3	3	3	CNC(=O)C[N@@H+]1CC[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1
365626910	ZINC000617399617	ref	2.63	-5.91	0	266.341	0.669	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C2(C(N)=O)CCC2)CCO1
398247572	ZINC000381282000	ref	4.31	-35.18	1	215.337	1.816	1	2	7	CC[C@H](C)[C@H](C[NH2+]C[C@@H]1CCCO1)OC
290623324	ZINC000492529231	ref	7.41	-22.12	0	283.331	2.049	1	4	3	Cc1ccc(/C=C/C(=O)Nc2c(C)ccn(C)c2=O)nc1
342085607	ZINC000402872795	ref	4.35	-7.65	0	255.337	1.43	0	3	5	CC[C@](C)(C#N)C(=O)N1CCN(CCCF)CC1
299072506	ZINC000567665853	ref	6.77	-42.25	1	288.391	2.117	1	2	2	C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)[C@@]1(C)CCC[NH2+]1
365626911	ZINC000354693876	low	7.11	-34.7	1	277.364	1.92	2	3	5	COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCC[C@@H](C)O
365626918	ZINC000354692112	ref	6.39	-15.05	0	288.376	1.626	0	5	4	CSc1ccccc1CC(=O)N1CC(n2ccnn2)C1
306234558	ZINC000557851677	mid	2.7	-6.99	0	331.464	1.048	2	4	5	CN1CCN(C)[C@H](CNC(=O)NCC2(c3ccccn3)CCC2)C1
306234559	ZINC000557851677	low	4.19	-39.25	1	331.464	1.048	3	3	5	CN1CC[N@H+](C)[C@H](CNC(=O)NCC2(c3ccccn3)CCC2)C1
365626937	ZINC000354692490	ref	3.13	-4.89	0	282.384	1.367	2	3	4	CCC1(CNC(=O)C(=O)N[C@@H]2CCO[C@H]2C)CCCC1
343994625	ZINC000599272417	mid	2.12	-9.89	0	296.411	1.557	1	5	4	C[C@H]1CN(C[C@@H](O)CC2(C#N)CCOCC2)CC(C)(C)O1
342085608	ZINC000402872795	mid	6.57	-45.26	1	255.337	1.43	1	2	5	CC[C@](C)(C#N)C(=O)N1CC[NH+](CCCF)CC1
342085609	ZINC000608952011	ref	3.47	-14.11	0	292.291	1.605	2	5	4	CCOC(=O)C(C)(C)NC(=O)c1ccc2[nH]c(=O)oc2c1
342085610	ZINC000625357223	ref	2.91	-11.06	0	282.315	1.139	2	3	6	CO[C@@H](C(=O)N[C@@H](C(N)=O)C(C)C)c1ccc(F)cc1
342085611	ZINC000625357123	ref	6.35	-3.66	0	278.396	1.94	1	2	2	C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
282121075	ZINC000248963095	ref	-1.38	-8.78	0	319.405	1.532	2	6	8	Cc1ccccc1Cc1nnc(CN(C[C@@H](C)O)[C@H](C)CO)o1
178296543	ZINC000082791886	ref	4.2	-9.52	0	265.309	1.235	0	5	4	COC(=O)CN1CCc2c(ccc(OC)c2OC)C1
349536045	ZINC000602431538	ref	8.63	-42.79	1	231.343	3.091	2	1	5	C[C@@H](CCC#N)C[N@@H+]1CCC[C@H]1c1ccc[nH]1
192340011	ZINC000273861343	ref	4.34	-8.88	0	283.372	1.351	1	6	9	CCC[C@@](C)(NCc1cnn(CCOC)c1)C(=O)OC
342085612	ZINC000217044220	ref	1.39	-10.99	0	257.087	1.111	1	3	2	O=C1NCC[C@H]1Oc1ccc(Br)nc1
342085613	ZINC000625357233	ref	4.44	-10.76	0	282.384	1.032	1	3	5	C/C=C/C[C@H]1CCCN(C(=O)C(=O)N(CC)CCO)C1
192340014	ZINC000273863388	ref	5.98	-11.07	0	295.346	2.751	0	6	5	CCn1nccc1/C=C/c1nc(Cc2ccc(C)nc2)no1
192340016	ZINC000273863388	low	6.42	-35.64	1	295.346	2.751	0	5	5	CCn1nccc1/C=C/c1nc(Cc2ccc(C)[nH+]c2)no1
192340018	ZINC000273864384	ref	5.27	-10.91	0	273.336	2.94	0	5	4	Cc1ccnc(-c2noc(CC[C@@H]3CC[C@@H](C)O3)n2)c1
398247573	ZINC000381286886	ref	-1.09	-42.57	1	210.281	0.728	1	4	4	CCc1nc([C@H]2CCCN2CC[NH3+])no1
192340020	ZINC000081926685	ref	5.96	-5.92	0	314.838	3.101	0	4	3	CCOc1ncc(C(=O)N2CCSC(C)(C)C2)cc1Cl
178296526	ZINC000014814612	ref	1.08	-50.37	-1	208.169	1.218	2	5	0	Cc1cc2cc(O)c([O-])c(O)c2c(=O)o1
259308985	ZINC000037861119	ref	1.26	-11.17	0	228.292	-0.304	1	3	3	CC(=O)N1CCC[C@H](C(=O)N(C)CCO)C1
178296530	ZINC000014814612	mid	0.05	-14.79	0	208.169	1.218	3	5	0	Cc1cc2cc(O)c(O)c(O)c2c(=O)o1
342085614	ZINC000625357224	ref	5.47	-11.1	0	298.427	1.5	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1C[C@@H](C)C[C@@H](C)C1
178296535	ZINC000013535569	ref	4.99	-8.38	0	235.67	2.968	0	3	0	Cc1cc2cc3c(cc2nc1Cl)OCCO3
398247576	ZINC000649442229	ref	4.05	-10.24	0	244.298	1.319	0	5	2	Cn1cc(-c2ccnc(N3CCOCC3)c2)cn1
178296538	ZINC000268804338	ref	4.89	-33.78	1	247.338	3.081	2	2	4	Cc1cc2cc([C@H](C)[NH2+][C@H](C)CO)oc2cc1C
178296541	ZINC000268804338	high	3.83	-6.2	0	247.338	3.081	2	3	4	Cc1cc2cc([C@H](C)N[C@H](C)CO)oc2cc1C
178296544	ZINC000336569257	ref	6.87	-11.06	0	240.306	3.381	2	1	2	Cc1cc2cc[nH]c2cc1NC(=O)C1CC=CC1
398247580	ZINC000381282478	ref	2.2	-37.49	1	203.326	1.408	2	2	8	CC[C@H](C)[C@H](C[NH2+]CC[C@H](C)O)OC
178296550	ZINC000268710192	ref	4.91	-41.32	1	247.338	3.083	2	2	5	Cc1cc2cc([C@@H](C)[NH2+]CCCO)oc2cc1C
178296552	ZINC000268710192	high	3.72	-8.25	0	247.338	3.083	2	3	5	Cc1cc2cc([C@@H](C)NCCCO)oc2cc1C
342085615	ZINC000625357449	ref	5.64	-4.34	0	264.369	1.573	1	2	2	C[C@H]1C[C@@H](C)CN(C(=O)C(=O)NCC2CC=CC2)C1
349533746	ZINC000618810442	ref	5.52	-10.57	0	286.331	1.609	0	5	3	COC(=O)[C@H]1CN(Cc2ccc3cnccc3c2)CCO1
342085616	ZINC000625356380	ref	7.68	-41.45	1	291.439	1.415	1	2	3	C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C23CC(C2)C3)CC1
199273334	ZINC000294964390	ref	7.17	-32.65	1	267.8	3.385	2	1	3	CCC1(O)CC[NH+](Cc2c(C)cccc2Cl)CC1
192340025	ZINC000081923830	ref	4.15	-13.92	0	305.399	2.31	1	4	6	COc1ccccc1[C@H](N)CS(=O)(=O)Cc1ccccc1
342085617	ZINC000625356380	mid	7.3	-42.04	1	291.439	1.415	1	2	3	C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C23CC(C2)C3)CC1
192340026	ZINC000081923830	mid	4.48	-49.17	1	305.399	2.31	1	3	6	COc1ccccc1[C@H]([NH3+])CS(=O)(=O)Cc1ccccc1
342085618	ZINC000625356275	ref	5.81	-11.26	0	288.363	1.222	0	3	6	CCCCN(CC)C(=O)C(=O)N1CCO[C@H](CCF)C1
342085619	ZINC000625357350	ref	3.17	-10.06	0	294.342	1.015	2	3	7	CCN(CCO)C(=O)C(=O)NCC(C)(C)C(F)(F)CC
343994627	ZINC000599272595	ref	7.67	-9.61	0	251.326	1.587	0	3	5	COC(=O)[C@@H](C)CN(C(=O)C12CC(C1)C2)C1CC1
197600455	ZINC000290114302	ref	7.86	-48.57	1	290.382	2.387	1	1	3	C[C@H](CC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1F
342085620	ZINC000625357229	ref	4.36	-10.9	0	282.384	1.032	1	3	5	C/C=C\C[C@H]1CCCN(C(=O)C(=O)N(CC)CCO)C1
343994629	ZINC000599271236	ref	9.45	-16.13	0	297.362	1.994	1	5	6	CC(C)C[C@@H](C#N)NC(=O)c1cccc(Cn2cncn2)c1
342085621	ZINC000625356276	ref	5.85	-10.31	0	288.363	1.222	0	3	6	CCCCN(CC)C(=O)C(=O)N1CCO[C@@H](CCF)C1
342085622	ZINC000608952233	ref	4.97	-7.65	0	252.314	1.703	2	3	4	CCOC(=O)C(C)(C)NC(=O)c1cc(C)[nH]c1C
178296551	ZINC000082791794	ref	6.1	-6.27	0	253.729	2.26	0	3	2	COC(=O)[C@H](C)N1CCc2c(Cl)cccc2C1
342085623	ZINC000070807526	ref	3.6	-45.16	1	288.351	1.373	2	4	5	COCCn1ncc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc21
342085624	ZINC000625357331	ref	5.66	-5.13	0	298.427	1.812	1	3	6	CCC[C@H](CNC(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1)OCC
342085625	ZINC000625357231	ref	4.34	-10.27	0	282.384	1.032	1	3	5	C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N(CC)CCO)C1
295666674	ZINC000412990300	ref	9.64	-17.34	0	318.461	2.528	0	2	5	CC(C)(C)[C@@H]1CC(=O)N(CCN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)C1
295666675	ZINC000412990198	ref	8.61	-12.03	0	316.401	2.545	1	3	7	CC[C@@]1(C(C)C)NC(=O)N(CC(=O)CCc2ccccc2)C1=O
343994631	ZINC000599271256	ref	6.79	-45.0	1	280.368	1.316	2	4	6	COC(=O)CC1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1
343994634	ZINC000599273063	ref	3.93	-9.68	0	266.37	1.665	2	4	5	CCN=c1[nH]cc(C(=O)N[C@H](C#N)CC(C)C)s1
282121076	ZINC000248963095	low	0.81	-36.04	1	319.405	1.532	3	5	8	Cc1ccccc1Cc1nnc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)o1
168365799	ZINC000043353091	low	3.16	-116.07	2	179.267	1.032	2	1	3	C[C@@H]([NH3+])[C@@H](c1ccncc1)[NH+](C)C
342085626	ZINC000033050120	ref	6.08	-14.83	0	280.28	1.221	0	5	4	C[C@@H]1COCCN1C(=O)COc1ccc([N+](=O)[O-])cc1
178296571	ZINC000082791800	ref	6.18	-6.52	0	253.729	2.26	0	3	2	COC(=O)[C@H](C)N1CCc2cc(Cl)ccc2C1
168365800	ZINC000075546390	ref	2.89	-45.12	1	164.252	1.834	2	1	3	C[C@@H]([NH3+])[C@@H](C)Nc1ccccc1
342085627	ZINC000625357457	ref	4.27	-7.7	0	276.38	1.8	2	2	6	Cc1ccccc1C[C@H](C)C(=O)N[C@H](C(N)=O)C(C)C
342085628	ZINC000217043972	ref	3.35	-12.46	0	284.315	1.928	1	4	5	O=C1NCC[C@H]1Oc1ccc(OCc2ccccc2)nc1
342085629	ZINC000625356240	ref	5.07	-4.0	0	250.342	1.47	1	2	2	C[C@H]1CCCCN1C(=O)C(=O)NCC1CC=CC1
342085630	ZINC000625357441	ref	7.35	-4.02	0	276.38	1.739	1	2	6	C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
214179347	ZINC000337606690	mid	3.79	-44.86	1	276.402	-0.109	2	4	8	CN(CCOCCO)C(=O)C[N@@H+](C)[C@H]1CCSC1
282121079	ZINC000449150546	ref	6.08	-54.99	-1	273.373	2.055	1	4	8	COC[C@@H](C)CC(=O)N[C@@H](CCC(C)(C)C)C(=O)[O-]
282121083	ZINC000449151100	ref	6.99	-42.9	1	282.428	2.454	1	2	5	CCN(C(=O)COC1CCC([NH3+])CC1)C1CCCCC1
282121088	ZINC000449151021	ref	5.48	-95.08	2	280.412	2.037	3	2	9	C[C@H](Cc1ccoc1)[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO
365626912	ZINC000623057179	ref	1.86	-41.29	1	304.213	1.763	2	3	4	C[C@](C[NH3+])(NC(=O)c1ncc(Br)s1)C1CC1
365626928	ZINC000623057369	ref	5.06	-65.61	1	314.393	1.75	3	4	5	CC[C@@H]([NH3+])CNC(=O)Nc1cccc(-c2nnc3n2CCC3)c1
365626940	ZINC000623057533	ref	3.02	-52.93	1	316.361	1.033	3	3	3	C[NH2+]CC1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1
365626950	ZINC000623057533	high	1.21	-80.7	0	316.361	1.033	2	3	3	C[NH2+]CC1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1
365626958	ZINC000623056773	ref	3.22	-55.68	1	300.362	1.122	2	3	2	C[C@@H]([NH3+])C1CCN(C(=O)c2nc3ccccc3c(=O)[nH]2)CC1
342085631	ZINC000625356381	ref	7.42	-39.28	1	291.439	1.415	1	2	3	C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C23CC(C2)C3)CC1
342085632	ZINC000625356381	mid	9.24	-40.44	1	291.439	1.415	1	2	3	C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C23CC(C2)C3)CC1
398247575	ZINC000181786417	ref	6.0	-10.88	0	248.326	2.027	0	3	3	Cc1cccc(OCC(=O)N2CCC(C)CC2)n1
342085633	ZINC000625357332	ref	5.39	-4.97	0	298.427	1.812	1	3	6	CCC[C@@H](CNC(=O)C(=O)N1C[C@@H](C)C[C@@H](C)C1)OCC
365626964	ZINC000623056773	mid	2.15	-77.69	0	300.362	1.122	1	3	2	C[C@@H]([NH3+])C1CCN(C(=O)c2nc3ccccc3c(=O)[n-]2)CC1
214179350	ZINC000337606690	mid	1.6	-14.3	0	276.402	-0.109	1	5	8	CN(CCOCCO)C(=O)CN(C)[C@H]1CCSC1
214179354	ZINC000337606257	ref	-0.03	-17.52	0	288.344	-0.91	1	5	7	CO[C@@H]1C[C@H](C(=O)N(C)CCOCCO)N(C(C)=O)C1
197600472	ZINC000290116792	ref	7.83	-12.24	0	275.356	1.058	1	5	4	C=CCn1c(C2CCC2)nnc1N1CCNC(=O)CC1
342085634	ZINC000625356471	ref	3.15	-7.87	0	294.395	1.08	2	3	4	O=C(NCC[C@@H]1CC=CCC1)C(=O)N1CCC[C@H](CO)C1
342085635	ZINC000625357456	ref	4.28	-7.72	0	276.38	1.8	2	2	6	Cc1ccccc1C[C@H](C)C(=O)N[C@@H](C(N)=O)C(C)C
342085636	ZINC000625357613	ref	5.36	-10.7	0	255.358	1.827	0	3	4	COC1CC(C(=O)N2CCC(OC(C)C)CC2)C1
342085637	ZINC000625357226	ref	5.71	-11.23	0	298.427	1.5	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1
342085638	ZINC000625357664	ref	2.13	-11.79	0	274.267	1.765	2	3	5	Cc1cc(C(F)F)oc1C(=O)N[C@H](C(N)=O)C(C)C
178296560	ZINC000067173643	ref	3.93	-34.6	1	219.675	2.481	2	1	1	Cc1cc2ccc(C(N)=[NH2+])nc2cc1Cl
178296562	ZINC000336427545	ref	4.97	-10.61	0	245.326	3.396	3	1	1	Cc1cc2cc[nH]c2cc1NC(=O)NC(C)(C)C
398247578	ZINC000356345805	ref	5.29	-8.12	0	242.363	2.243	1	2	5	CCC[C@H](CNC(=O)N1CCC[C@H](C)C1)OC
398247581	ZINC000181783131	ref	6.2	-8.3	0	224.263	2.841	0	3	3	Cc1cccc(OCc2cccc(C#N)c2)n1
398249367	ZINC000069839133	ref	-1.71	-52.86	1	229.324	-0.75	2	3	5	C[C@H]([NH3+])CCC(=O)N1CCN(CCO)CC1
178296570	ZINC000336427635	ref	6.24	-12.11	0	243.31	3.104	2	1	1	Cc1cc2cc[nH]c2cc1NC(=O)N1CCCC1
185091364	ZINC000096081426	mid	3.19	-45.16	1	291.355	-0.45	3	3	3	CNC(=O)C[N@H+]1CC[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1
185091366	ZINC000096081426	mid	1.38	-17.34	0	291.355	-0.45	2	4	3	CNC(=O)CN1CC[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1
185091368	ZINC000096081426	mid	1.28	-13.42	0	291.355	-0.45	2	4	3	CNC(=O)CN1CC[C@H]2CN(C(=O)c3ccn[nH]3)C[C@H]2C1
342085639	ZINC000625357222	ref	2.98	-10.36	0	282.315	1.139	2	3	6	CO[C@H](C(=O)N[C@H](C(N)=O)C(C)C)c1ccc(F)cc1
365639418	ZINC000576623931	high	4.35	-7.2	0	240.278	1.781	2	3	4	COC(=O)c1ccc(CN[C@@H]2CC[C@@H](F)C2)[nH]1
178296577	ZINC000133172371	ref	4.68	-12.29	0	245.326	3.396	3	1	1	Cc1cc2cc(NC(=O)NC(C)(C)C)ccc2[nH]1
185091369	ZINC000096081581	ref	2.2	-7.49	0	262.309	0.877	0	4	4	C=CCN1C(=O)CO[C@H]2CN(Cc3ccoc3)C[C@@H]21
185091371	ZINC000096081581	low	5.01	-49.36	1	262.309	0.877	1	3	4	C=CCN1C(=O)CO[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]21
185091372	ZINC000096081581	low	4.98	-48.85	1	262.309	0.877	1	3	4	C=CCN1C(=O)CO[C@H]2C[N@H+](Cc3ccoc3)C[C@@H]21
185091374	ZINC000096081866	ref	9.95	-95.83	2	273.424	2.491	2	1	4	C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccn3)C[C@@H]21
185091375	ZINC000096081866	mid	9.84	-94.29	2	273.424	2.491	2	1	4	C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccn3)C[C@@H]21
300266318	ZINC000364046177	low	3.96	-55.4	0	285.344	-1.066	1	5	2	C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C(=O)[O-]
185091378	ZINC000096081288	ref	9.4	-44.61	1	290.432	2.642	1	2	4	Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CC(=O)N3CC2CC2)s1
185091380	ZINC000096081288	mid	9.85	-44.78	1	290.432	2.642	1	2	4	Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CC(=O)N3CC2CC2)s1
185091382	ZINC000096081288	high	7.46	-6.85	0	290.432	2.642	0	3	4	Cc1ccc(CN2CC[C@@H]3[C@@H]2CC(=O)N3CC2CC2)s1
199273335	ZINC000181261327	ref	3.85	-12.84	0	300.424	1.131	2	4	6	CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N[C@H](CC)CO
178296583	ZINC000062569730	ref	3.85	-46.87	1	206.676	2.655	1	1	1	Cc1cc2cc(Cl)ccc2nc1C[NH3+]
398247583	ZINC000649442214	ref	6.45	-5.39	0	231.32	3.599	0	3	4	c1cnc(OCC2CC2)c(-c2ccsc2)c1
398247585	ZINC000649442247	ref	5.63	-8.25	0	242.322	2.245	1	3	1	Cc1nn(C)cc1-c1ccc2c(c1)CC[C@H](O)C2
342600313	ZINC000616999328	ref	5.9	-43.03	1	278.4	1.199	2	3	4	Cn1ccc(CC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1
197600468	ZINC000162926656	ref	2.96	-9.51	0	308.172	2.424	1	3	0	C[C@H]1CNc2cc(F)c(Br)cc2S(=O)(=O)C1
342600314	ZINC000616999328	mid	5.9	-43.81	1	278.4	1.199	2	3	4	Cn1ccc(CC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)n1
342600315	ZINC000590851106	ref	4.85	-17.55	0	299.378	1.68	2	4	3	N#CCN1CCC(NC(=O)Nc2ccc3c(n2)CCC3)CC1
342600316	ZINC000194691774	ref	4.38	-17.58	0	285.307	1.412	1	6	5	CCc1noc2ncc(C(=O)NCCn3ccnc3)cc12
214179351	ZINC000053366957	mid	4.96	-40.76	1	326.441	0.945	3	3	10	CCCNC(=O)C[N@@H+](CCC)CCCN1C(=O)NC(C)(C)C1=O
342600317	ZINC000194691774	low	4.9	-46.58	1	285.307	1.412	1	5	5	CCc1noc2ncc(C(=O)NCCn3cc[nH+]c3)cc12
398247586	ZINC000649444697	ref	4.01	-9.71	0	236.315	1.283	1	4	4	C[C@H](O)CCCn1nc2c(cc1=O)CCCC2
398247588	ZINC000649445354	ref	3.72	-8.07	0	237.324	2.836	1	4	4	CC(C)(O)CCOc1ccc2cnsc2c1
342600318	ZINC000616998921	ref	6.11	-50.04	1	291.395	1.235	2	3	3	Cn1c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cccc1=O
342600319	ZINC000616998921	mid	6.14	-50.56	1	291.395	1.235	2	3	3	Cn1c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cccc1=O
365626917	ZINC000617396581	ref	3.46	-9.25	0	268.357	0.345	0	4	2	CN1CCO[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
342600320	ZINC000616998710	ref	5.07	-40.89	1	270.417	1.774	3	2	6	CCC[C@@H](O)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365626921	ZINC000617396581	mid	5.72	-42.1	1	268.357	0.345	1	3	2	C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
365626926	ZINC000617396581	mid	5.88	-49.94	1	268.357	0.345	1	3	2	C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
342600321	ZINC000616998710	mid	5.0	-40.44	1	270.417	1.774	3	2	6	CCC[C@@H](O)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365626933	ZINC000617395088	ref	3.11	-14.74	0	289.397	0.695	0	4	4	C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@@](C)(C2CC2)C1
342600322	ZINC000616998713	ref	5.08	-39.86	1	270.417	1.774	3	2	6	CCC[C@H](O)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
168365802	ZINC000041053785	ref	1.59	-39.93	1	142.246	0.816	1	1	3	C[C@@H]([NH3+])[C@@H](C)N(C)C1CC1
342600323	ZINC000616998713	mid	5.07	-40.6	1	270.417	1.774	3	2	6	CCC[C@H](O)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
398247590	ZINC000381286888	ref	3.7	-5.32	0	226.32	2.134	1	3	7	CC[C@@H](C)[C@H](C[NH2+]Cc1cc(C)no1)OC
342085640	ZINC000046727991	ref	5.42	-10.43	0	289.331	1.72	0	4	3	CCOc1cccc2c1OCC(C(=O)N1CCOCC1)=C2
365626922	ZINC000336545925	ref	5.0	-12.84	0	273.357	2.498	1	3	1	O=C(c1cccc2ccsc12)N1C[C@H](O)C2(CC2)C1
342085641	ZINC000625357219	ref	2.9	-10.05	0	282.315	1.139	2	3	6	CO[C@H](C(=O)N[C@@H](C(N)=O)C(C)C)c1ccc(F)cc1
342085642	ZINC000625356200	ref	5.61	-4.29	0	286.416	1.644	1	3	8	CCCCN(CC)C(=O)C(=O)N(C)CC(O)(CC)CC
342085643	ZINC000625357234	ref	4.41	-10.11	0	282.384	1.032	1	3	5	C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N(CC)CCO)C1
342085644	ZINC000608952106	ref	6.12	-9.79	0	283.284	1.005	1	6	5	CCOC(=O)C(C)(C)NC(=O)c1cc([N+](=O)[O-])cn1C
342085645	ZINC000217043479	ref	2.66	-11.25	0	262.309	1.528	1	4	6	O=C1NCC[C@H]1Oc1ccc(OCCC2CC2)nc1
342085646	ZINC000625356472	ref	3.08	-7.79	0	294.395	1.08	2	3	4	O=C(NCC[C@H]1CC=CCC1)C(=O)N1CCC[C@@H](CO)C1
306234560	ZINC000557851677	low	4.83	-38.83	1	331.464	1.048	3	3	5	CN1CC[N@@H+](C)[C@H](CNC(=O)NCC2(c3ccccn3)CCC2)C1
342085647	ZINC000046727988	ref	5.77	-11.01	0	271.32	1.653	0	4	2	Cc1ccn(-c2ccc(C(=O)N3CCOCC3)cc2)n1
178296586	ZINC000082791464	ref	8.95	-45.78	0	273.254	2.538	1	2	3	O=C([O-])CC[N@@H+]1CCc2c(cccc2C(F)(F)F)C1
178296588	ZINC000082791464	mid	8.95	-45.79	0	273.254	2.538	1	2	3	O=C([O-])CC[N@H+]1CCc2c(cccc2C(F)(F)F)C1
178296589	ZINC000082791464	high	6.37	-43.39	-1	273.254	2.538	0	3	3	O=C([O-])CCN1CCc2c(cccc2C(F)(F)F)C1
178296591	ZINC000082791903	ref	5.86	-5.45	0	274.147	2.525	0	3	2	COC(=O)CN1CCc2c(Cl)cc(Cl)cc2C1
342085648	ZINC000402870378	ref	4.05	-7.7	0	269.41	1.819	2	3	5	CSC[C@](C)(O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
192340024	ZINC000273863734	ref	5.32	-69.54	0	284.306	1.692	1	2	2	C[C@@H]1CN(C(=O)c2cc(F)c([O-])c(F)c2)C[C@@H]1[NH+](C)C
342085649	ZINC000608952202	ref	4.93	-8.49	0	267.329	1.054	1	5	5	CCOC(=O)C(C)(C)NC(=O)c1cnn(C)c1CC
342085650	ZINC000033054912	ref	5.58	-13.12	0	286.331	1.832	1	3	3	CN1C(=O)c2ccc(C(=O)NCC3CCCC3)cc2C1=O
342085651	ZINC000625357119	ref	6.28	-3.74	0	278.396	1.94	1	2	2	C[C@H]1CCCCN1C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
342085652	ZINC000608952260	ref	6.02	-8.61	0	259.346	1.505	1	4	7	CCOC(=O)C(C)(C)NC(=O)[C@@H](C)OCC(C)C
342085653	ZINC000625356295	ref	6.38	-4.0	0	298.427	1.644	1	3	8	CCCN(CC1CC1)C(=O)C(=O)N(C)CC(O)(CC)CC
178305702	ZINC000019266916	ref	7.86	-46.7	1	245.37	3.027	1	2	2	Cc1cc2ncn(C[C@H]([NH3+])C(C)(C)C)c2cc1C
398249369	ZINC000069839133	mid	0.58	-101.16	2	229.324	-0.75	3	2	5	C[C@H]([NH3+])CCC(=O)N1CC[NH+](CCO)CC1
282121081	ZINC000248963095	low	-0.29	-37.52	1	319.405	1.532	3	5	8	Cc1ccccc1Cc1nnc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)o1
365626924	ZINC000641593226	low	4.84	-41.66	1	288.438	1.771	1	3	2	Cc1csc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c1
282121085	ZINC000248962950	ref	5.02	-37.62	1	320.433	1.501	3	3	7	Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H](C)[C@H]1CO
230742232	ZINC000425586842	ref	3.74	-10.2	0	323.359	2.32	3	2	4	CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)N[C@H](C)C(F)(F)F)C1
342600324	ZINC000616999097	ref	0.97	-45.18	-1	286.213	1.459	2	3	3	O=C(NCc1ccccc1C(F)(F)F)c1n[nH]c(=O)[n-]1
365626930	ZINC000641593226	low	4.92	-41.11	1	288.438	1.771	1	3	2	Cc1csc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c1
342600325	ZINC000616999329	ref	5.52	-39.45	1	268.401	1.65	2	2	5	COCC1(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1
342600326	ZINC000616999329	mid	5.46	-38.83	1	268.401	1.65	2	2	5	COCC1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CC1
342600327	ZINC000616999408	ref	2.29	-50.32	1	293.367	1.229	3	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2coc(C(N)=O)c2)C1
342600328	ZINC000616999408	mid	2.26	-49.72	1	293.367	1.229	3	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2coc(C(N)=O)c2)C1
342600329	ZINC000590851317	ref	4.57	-57.77	-1	297.376	1.655	1	4	6	C[S@@](=O)c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1
342600330	ZINC000616999042	ref	0.43	-43.54	-1	287.106	1.747	2	3	3	O=C(NCc1cccc(Cl)c1Cl)c1n[nH]c(=O)[n-]1
342600331	ZINC000616999133	ref	-0.32	-43.45	-1	262.269	1.01	2	4	4	COc1cccc([C@H](C)NC(=O)c2n[nH]c(=O)[n-]2)c1
342600332	ZINC000590850462	ref	3.41	-19.26	0	286.397	1.005	1	3	3	O=C(NC[C@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C1CC1
342600333	ZINC000616999410	ref	6.18	-35.7	1	280.412	1.648	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)C1
342600334	ZINC000616999410	mid	6.14	-35.16	1	280.412	1.648	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2[C@@H]3CCCO[C@@H]32)C1
187167100	ZINC000125050230	ref	5.79	-10.38	0	291.391	2.476	1	3	7	Cc1ccc(C(=O)NCCCOC[C@H]2CCOC2)cc1C
295666680	ZINC000412990222	ref	6.93	-16.77	0	317.242	2.661	0	5	4	CCOC(=O)c1cn(Cc2cncc(F)c2)nc1C(F)(F)F
342600335	ZINC000616999407	ref	2.24	-50.28	1	293.367	1.229	3	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1
349533749	ZINC000618810442	low	7.28	-53.16	1	286.331	1.609	1	4	3	COC(=O)[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CCO1
342600336	ZINC000616999407	mid	2.29	-50.84	1	293.367	1.229	3	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2coc(C(N)=O)c2)C1
342600337	ZINC000616998968	ref	6.91	-79.81	2	269.433	1.563	3	1	5	CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
178296587	ZINC000062569730	high	3.45	-6.27	0	206.676	2.655	1	2	1	Cc1cc2cc(Cl)ccc2nc1CN
342085654	ZINC000625357448	ref	5.96	-4.36	0	264.369	1.573	1	2	2	C[C@H]1C[C@H](C)CN(C(=O)C(=O)NCC2CC=CC2)C1
342085655	ZINC000046731653	ref	6.74	-20.5	0	292.285	1.485	1	3	5	O=C(Cn1ccccc1=O)NCCc1c(F)cccc1F
398247589	ZINC000651455146	ref	7.85	-6.32	0	250.386	3.149	1	1	1	C[C@H]1CCCN(C(=O)NC2CC3(CCC3)C2)[C@@H]1C
342085656	ZINC000618610162	ref	5.29	-36.18	1	287.407	1.755	2	3	4	Cc1cc(CN2CC[N@H+](CCO)C(C)(C)C2)ccc1C#N
342085657	ZINC000618610162	mid	5.44	-36.42	1	287.407	1.755	2	3	4	Cc1cc(CN2CC[N@@H+](CCO)C(C)(C)C2)ccc1C#N
342085658	ZINC000618610162	mid	5.43	-45.71	1	287.407	1.755	2	3	4	Cc1cc(C[N@@H+]2CCN(CCO)C(C)(C)C2)ccc1C#N
398247592	ZINC000651456968	ref	7.83	-6.99	0	250.386	3.007	1	1	1	C[C@@H]1CN(C(=O)NC2CC3(CCC3)C2)CC[C@H]1C
178296608	ZINC000045245512	ref	4.73	-8.72	0	245.665	2.685	1	2	0	Cc1cc2ccc(Cl)cc2c2c1C(=O)NC2=O
398247594	ZINC000651455221	ref	8.45	-6.87	0	262.397	3.293	1	1	1	O=C(NC1CC2(CCC2)C1)N1CCC[C@@H]2CCC[C@H]21
178296612	ZINC000045245512	high	2.92	-47.29	-1	245.665	2.685	0	2	0	Cc1cc2ccc(Cl)cc2c2c1C(=O)[N-]C2=O
349533751	ZINC000621489476	ref	6.83	-9.77	0	294.37	3.164	1	2	4	CC[C@@H]1C[C@H](C)CN1C(=O)NCc1cc(OC)ccc1F
349533758	ZINC000621487226	ref	7.21	-9.25	0	282.359	3.166	1	2	7	CCCN(CCC)C(=O)NCc1cc(OC)ccc1F
349533763	ZINC000621487338	ref	7.23	-9.59	0	282.359	3.166	1	2	7	CCCCN(CC)C(=O)NCc1cc(OC)ccc1F
349533771	ZINC000621488804	ref	6.81	-9.7	0	294.37	3.164	1	2	3	COc1ccc(F)c(CNC(=O)N2CCC[C@@H](C)[C@H]2C)c1
190492696	ZINC000269419146	ref	8.9	-15.47	0	293.388	2.405	0	4	3	COC(=O)C[C@@H]1CCCN1C(=O)c1cc2c(s1)CCC2
398247595	ZINC000651456020	ref	6.39	-7.46	0	287.407	3.119	3	2	5	C[C@@H](CNc1ccccc1)NC(=O)NC1CC2(CCC2)C1
398247598	ZINC000651456492	ref	7.47	-8.06	0	250.386	3.151	1	1	2	CC[C@@]1(C)CCN(C(=O)NC2CC3(CCC3)C2)C1
282123587	ZINC000533474532	ref	5.04	-20.44	0	287.363	1.656	1	4	3	C[C@H](O)[C@H]1CCCN(C(=O)Cn2cc3ccccc3n2)C1
342085659	ZINC000618610162	mid	5.04	-47.09	1	287.407	1.755	2	3	4	Cc1cc(C[N@H+]2CCN(CCO)C(C)(C)C2)ccc1C#N
398247600	ZINC000651455500	ref	7.94	-7.3	0	250.386	3.149	1	1	1	C[C@H]1CC[C@@H](C)N(C(=O)NC2CC3(CCC3)C2)C1
342085660	ZINC000618610162	high	3.18	-6.74	0	287.407	1.755	1	4	4	Cc1cc(CN2CCN(CCO)C(C)(C)C2)ccc1C#N
398247591	ZINC000381286888	mid	3.7	-5.32	0	226.32	2.134	1	4	7	CC[C@@H](C)[C@H](CNCc1cc(C)no1)OC
342600338	ZINC000616998968	mid	6.83	-79.74	2	269.433	1.563	3	1	5	CC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
349533752	ZINC000621225828	ref	1.52	-16.65	0	292.257	2.087	2	3	5	CC(C)(CNC(=O)c1coc(C(N)=O)c1)CC(F)(F)F
342600339	ZINC000616998968	high	4.82	-37.26	1	269.433	1.563	2	2	5	CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
299072508	ZINC000358088266	mid	7.06	-44.81	1	308.47	1.62	2	2	4	CC(C)CN1CCN(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)CC1
299072512	ZINC000358088266	high	4.72	-7.62	0	308.47	1.62	1	3	4	CC(C)CN1CCN(C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1
299072514	ZINC000358087403	ref	9.25	-87.48	2	308.47	1.62	3	1	4	C[C@H](NC(=O)N(C)CC1CC[NH+](C)CC1)C1=CC[N@H+](C)CC1
192340023	ZINC000421439788	ref	7.91	-6.92	0	209.333	2.681	0	1	4	CCN(CC(C)C)C(=O)[C@@]12CCC[C@@H]1C2
342600340	ZINC000616998968	high	4.72	-36.81	1	269.433	1.563	2	2	5	CC[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
342600341	ZINC000616998935	ref	5.04	-49.99	1	291.395	1.946	3	2	3	Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
197600506	ZINC000162931430	ref	6.08	-12.44	0	313.357	3.469	1	6	5	COc1ccc(CNc2ncnc3oc(C)c(C)c23)cc1OC
342600342	ZINC000616998935	mid	5.1	-50.52	1	291.395	1.946	3	2	3	Cc1cc(=O)[nH]cc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600343	ZINC000616998910	ref	2.7	-68.96	0	280.372	1.274	3	3	3	Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1[O-]
342600344	ZINC000616998910	mid	2.7	-70.12	0	280.372	1.274	3	3	3	Cc1n[nH]c(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1[O-]
197600518	ZINC000162921844	ref	4.23	-12.25	0	308.403	2.101	1	4	3	Cc1ccc(C#N)cc1S(=O)(=O)NC1C[C@H](C)O[C@@H](C)C1
214179352	ZINC000278477606	mid	6.39	-46.97	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)[nH]n1
214179353	ZINC000278477606	mid	7.05	-44.03	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)[nH]n1
342600345	ZINC000616998742	ref	6.68	-37.9	1	264.373	1.27	2	3	3	Cn1cnc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1
192340028	ZINC000421443058	ref	7.58	-6.69	0	221.344	2.729	1	1	3	C[C@@H]1CCC[C@H](CNC(=O)[C@H]2CC23CC3)C1
282123588	ZINC000533473806	ref	5.82	-12.52	0	277.364	1.823	1	3	5	C[C@H](O)[C@H]1CCCN(C(=O)COCc2ccccc2)C1
342600346	ZINC000616998742	mid	6.62	-37.65	1	264.373	1.27	2	3	3	Cn1cnc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1
342600347	ZINC000590849828	ref	0.94	-12.24	0	256.346	1.158	3	3	4	O=C(NCC[C@@H]1CCCO1)N[C@@H]1CCCC[C@@H]1O
342085661	ZINC000625357258	ref	5.29	-5.55	0	296.411	1.397	1	3	4	CCN(C(=O)C(=O)N(C)C[C@@H]1C[C@H](O)C1)C1CCCCC1
342085662	ZINC000625357638	ref	5.09	-7.51	0	296.411	1.16	2	3	7	CCN(CCO)C(=O)C(=O)NCC(C1CCC1)C1CCC1
342085663	ZINC000046727992	ref	4.74	-14.74	0	265.309	1.071	0	4	5	COc1cccc(COCC(=O)N2CCOCC2)c1
342085664	ZINC000625357228	ref	5.85	-11.17	0	298.427	1.5	1	3	4	CCC(O)(CC)CN(C)C(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1
342085665	ZINC000625357247	ref	3.94	-7.79	0	284.4	1.16	2	3	6	CCN(CCO)C(=O)C(=O)NCC[C@H]1CCCC1(C)C
168365545	ZINC000368506370	mid	9.89	-43.55	1	331.456	3.08	1	3	5	COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21
343994633	ZINC000079926796	ref	4.7	-12.34	0	278.4	2.097	1	4	4	CCC1CCN(CC(=O)Nc2c(C)nn(C)c2C)CC1
342085666	ZINC000070807528	ref	3.62	-45.26	1	288.351	1.373	2	4	5	COCCn1ncc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc21
342085667	ZINC000625357330	ref	5.51	-4.91	0	298.427	1.812	1	3	6	CCC[C@H](CNC(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1)OCC
282121082	ZINC000248605088	ref	4.57	-50.93	1	336.44	-0.002	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)CC2
365626927	ZINC000172855412	ref	1.3	-13.25	0	299.334	1.1	3	5	2	O=C1N[C@@H](c2c[nH]cn2)Nc2ccc(N3CCOCC3)cc21
230742229	ZINC000414361362	ref	6.59	-8.62	0	312.341	3.078	1	3	5	C=CCC[C@H]1NC(=O)N(c2cc(F)c(SC)c(F)c2)C1=O
365626936	ZINC000172855412	mid	1.19	-14.94	0	299.334	1.1	3	5	2	O=C1N[C@@H](c2cnc[nH]2)Nc2ccc(N3CCOCC3)cc21
365626944	ZINC000172855412	low	1.76	-45.84	1	299.334	1.1	3	4	2	O=C1N[C@@H](c2c[nH]c[nH+]2)Nc2ccc(N3CCOCC3)cc21
342085668	ZINC000402870377	ref	4.07	-7.67	0	269.41	1.819	2	3	5	CSC[C@@](C)(O)CNC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2
342085669	ZINC000033050088	ref	4.85	-10.3	0	283.331	1.89	0	4	2	C[C@@H]1COCCN1C(=O)/C=C/c1cnc2ccccc2n1
342085670	ZINC000625357440	ref	7.34	-4.04	0	276.38	1.739	1	2	6	C=CCN(CC=C)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
365626952	ZINC000172861708	ref	5.99	-16.42	0	298.39	1.977	1	4	4	Cc1ccc(N2CCC[C@H](NC(=O)Cn3cccn3)C2)cc1
342085671	ZINC000033050076	ref	6.82	-10.97	0	289.331	1.734	0	4	3	COC(=O)c1ccc(/C=C/C(=O)N2CCOC[C@@H]2C)cc1
365626967	ZINC000643090542	ref	2.77	-47.41	1	296.383	1.483	2	2	4	CC1(NS(=O)(=O)C[C@@H]2CCCC2(F)F)CC[NH2+]CC1
342085672	ZINC000625357458	ref	4.29	-7.7	0	276.38	1.8	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C
343994635	ZINC000079926796	mid	6.86	-45.33	1	278.4	2.097	2	3	4	CCC1CC[NH+](CC(=O)Nc2c(C)nn(C)c2C)CC1
214179355	ZINC000053366957	high	2.92	-13.15	0	326.441	0.945	2	4	10	CCCNC(=O)CN(CCC)CCCN1C(=O)NC(C)(C)C1=O
343994637	ZINC000079933956	ref	8.64	-14.34	0	261.35	2.136	0	4	5	O=C(Cn1ccnc1)N(Cc1cccs1)C1CC1
349533753	ZINC000621227760	ref	5.28	-15.71	0	290.285	2.392	2	2	4	Cc1cc(=O)c(C(=O)NCC(C)(C)CC(F)(F)F)c[nH]1
168365804	ZINC000041053785	mid	3.23	-100.75	2	142.246	0.816	2	0	3	C[C@@H]([NH3+])[C@@H](C)[N@H+](C)C1CC1
214179359	ZINC000053371094	ref	7.32	-9.84	0	325.368	3.542	1	4	5	CCCN(C(=O)c1ccc(=O)[nH]n1)[C@H](C)c1cc2ccccc2o1
398247593	ZINC000649442200	ref	6.81	-8.05	0	216.284	2.794	0	3	3	CCOc1ccccc1-c1cn(C)nc1C
398247596	ZINC000649442262	ref	8.41	-6.28	0	214.312	3.519	0	2	2	Cc1nn(C)cc1-c1ccc(C(C)C)cc1
398247597	ZINC000649444945	ref	4.86	-5.57	0	249.335	3.606	0	4	4	COc1cc(-c2ccc(OC(C)C)cc2)sn1
398247599	ZINC000649442283	ref	7.85	-9.29	0	240.306	3.085	0	3	1	Cc1nn(C)cc1-c1cccc2c1[C@H](C)CC2=O
398247601	ZINC000649444659	ref	7.86	-8.31	0	232.327	2.478	0	3	5	C=CCCCCn1nc2c(cc1=O)CCCC2
398247603	ZINC000649445482	ref	5.07	-8.74	0	235.308	2.712	0	4	3	c1cc2cnsc2cc1OC[C@@H]1CCOC1
398247605	ZINC000649445339	ref	5.73	-8.98	0	237.324	3.102	0	4	6	CCOCCCOc1ccc2cnsc2c1
342085673	ZINC000625356239	ref	5.15	-4.08	0	250.342	1.47	1	2	2	C[C@@H]1CCCCN1C(=O)C(=O)NCC1CC=CC1
300266321	ZINC000364046177	low	3.49	-54.82	0	285.344	-1.066	1	5	2	C[C@H]1C[N@@H+](C[C@@H]2CN(C)CCO2)CCN1C(=O)C(=O)[O-]
197600509	ZINC000290115019	ref	7.1	-15.08	0	297.358	3.396	0	4	3	CN(C)C(=O)c1cccc(-c2noc(C3=CCCCC3)n2)c1
342085674	ZINC000625356250	ref	5.22	-6.32	0	284.4	1.568	1	3	7	CCCCN(CC)C(=O)C(=O)NCC[C@H]1CCCOC1
342085675	ZINC000046730654	ref	5.72	-13.22	0	255.264	1.802	1	2	4	O=C(NCCc1c(F)cccc1F)[C@H]1CCCO1
342085676	ZINC000625357663	ref	1.89	-12.84	0	274.267	1.765	2	3	5	Cc1cc(C(F)F)oc1C(=O)N[C@@H](C(N)=O)C(C)C
342085677	ZINC000625357656	ref	5.18	-6.14	0	284.4	1.568	1	3	7	CCCN(CCC)C(=O)C(=O)NCC[C@H]1CCCOC1
342085678	ZINC000402872796	ref	4.32	-8.33	0	255.337	1.43	0	3	5	CC[C@@](C)(C#N)C(=O)N1CCN(CCCF)CC1
342085679	ZINC000402872796	mid	6.54	-46.43	1	255.337	1.43	1	2	5	CC[C@@](C)(C#N)C(=O)N1CC[NH+](CCCF)CC1
342085680	ZINC000625357450	ref	5.89	-4.33	0	264.369	1.573	1	2	2	C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)NCC2CC=CC2)C1
342600348	ZINC000616999150	ref	4.05	-16.08	0	290.429	1.305	0	3	4	C[C@H](N(C)C(=O)CCN1CCCS1(=O)=O)C(C)(C)C
342600349	ZINC000616998911	ref	2.69	-70.48	0	280.372	1.274	3	3	3	Cc1n[nH]c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1[O-]
365626932	ZINC000336546001	ref	4.81	-7.75	0	265.74	2.245	1	2	1	Cc1ccc(Cl)cc1C(=O)N1C[C@H](O)C2(CC2)C1
342600350	ZINC000616998911	mid	2.63	-69.76	0	280.372	1.274	3	3	3	Cc1n[nH]c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1[O-]
197600515	ZINC000290115107	ref	7.04	-17.88	0	275.341	1.162	0	8	3	Cc1cc(C)n2nc(SCc3cnn(C)n3)nc2n1
197600517	ZINC000290117189	ref	5.62	-10.94	0	277.364	2.088	0	3	5	COCC1(C(=O)N(C)Cc2ccccc2)CCOCC1
342600351	ZINC000616999364	ref	4.27	-38.23	1	277.368	1.637	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ncccc2O)C1
282121086	ZINC000365594855	ref	7.62	-48.89	1	266.385	1.212	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3CCC[C@H]32)C1
342600352	ZINC000616999364	mid	4.31	-38.47	1	277.368	1.637	3	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ncccc2O)C1
342600353	ZINC000616999364	mid	5.27	-64.21	0	277.368	1.637	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1
192340027	ZINC000273863734	low	4.55	-49.15	1	284.306	1.692	2	2	2	C[C@@H]1CN(C(=O)c2cc(F)c(O)c(F)c2)C[C@@H]1[NH+](C)C
214179357	ZINC000278477606	mid	6.28	-42.61	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n[nH]1
214179360	ZINC000278477606	mid	6.93	-40.05	1	300.366	1.375	3	4	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)n[nH]1
192340029	ZINC000273864847	ref	5.6	-13.44	0	292.339	1.239	0	5	7	CN1CC(=O)N(CCCc2nc(CCC3CC3)no2)C1=O
342600354	ZINC000616999364	mid	5.32	-64.83	0	277.368	1.637	2	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ncccc2[O-])C1
342600355	ZINC000616999233	ref	6.52	-41.06	1	270.417	1.894	2	2	5	CO[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
342600356	ZINC000616999233	mid	6.48	-40.56	1	270.417	1.894	2	2	5	CO[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
168365548	ZINC000307135820	ref	1.74	-47.88	1	170.256	0.638	2	1	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(C)CC1
342600357	ZINC000616998920	ref	6.12	-51.05	1	291.395	1.235	2	3	3	Cn1c(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cccc1=O
342600358	ZINC000616998920	mid	6.04	-50.7	1	291.395	1.235	2	3	3	Cn1c(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cccc1=O
342600359	ZINC000590850604	ref	5.6	-12.81	0	251.334	1.3	2	4	5	CC1(NC(=O)NCCCn2cncn2)CCCC1
168365551	ZINC000034263173	ref	4.26	-37.95	1	179.263	1.939	1	1	4	C[C@@H]([NH3+])[C@@H](C)OCc1ccccc1
342600360	ZINC000616999235	ref	6.5	-40.11	1	270.417	1.894	2	2	5	CO[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
343994636	ZINC000599271337	ref	6.74	-10.48	0	292.339	1.027	0	6	6	COC(=O)[C@H](C)CN(C(=O)c1cn(C2CC2)nn1)C1CC1
197600527	ZINC000162922633	ref	4.89	-45.72	1	310.463	2.163	2	2	6	CCCc1ccc(S(=O)(=O)NC[C@@H]2C[NH2+]CC[C@@H]2C)cc1
343994638	ZINC000599272679	ref	7.15	-13.62	0	274.368	1.808	1	4	4	Cc1cn2c(n1)C[C@H](C(=O)N[C@H](C#N)CC(C)C)CC2
365626939	ZINC000641596125	ref	3.86	-14.25	0	266.366	1.98	1	3	8	C=CCCCS(=O)(=O)NC/C=C/c1cccnc1
342085681	ZINC000625356473	ref	3.08	-7.77	0	294.395	1.08	2	3	4	O=C(NCC[C@@H]1CC=CCC1)C(=O)N1CCC[C@@H](CO)C1
168365549	ZINC000368506384	ref	8.2	-13.81	0	343.427	3.135	0	5	3	Cc1cccc([C@]2(F)CCN(Cc3cc(=O)n4ccsc4n3)C2)c1
168365550	ZINC000368506384	low	11.19	-45.65	1	343.427	3.135	1	4	3	Cc1cccc([C@]2(F)CC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)c1
192340030	ZINC000081925280	ref	11.28	-11.78	0	316.43	2.543	0	5	2	Cc1cc(C(=O)N2CCSC(C)(C)C2)ccc1-n1cncn1
192340033	ZINC000081925398	ref	6.63	-7.97	0	304.209	3.01	0	3	1	CC1(C)CN(C(=O)c2occc2Br)CCS1
214179358	ZINC000337609537	ref	5.81	-11.64	0	270.373	2.209	2	3	8	COC(=O)CCCCCNC(=O)NCC1CCCC1
192340035	ZINC000081926132	ref	6.62	-16.42	0	318.398	2.603	1	4	2	CC1(C)CN(C(=O)c2ccc(-c3ccco3)[nH]c2=O)CCS1
342085682	ZINC000625357220	ref	3.0	-10.58	0	282.315	1.139	2	3	6	CO[C@@H](C(=O)N[C@H](C(N)=O)C(C)C)c1ccc(F)cc1
342085683	ZINC000625357249	ref	3.94	-7.8	0	284.4	1.16	2	3	6	CCN(CCO)C(=O)C(=O)NCC[C@@H]1CCCC1(C)C
342085684	ZINC000608952001	ref	7.02	-14.56	0	267.329	1.121	1	5	7	CCOC(=O)C(C)(C)NC(=O)CCCn1ccnc1
342085685	ZINC000608952001	low	7.54	-38.83	1	267.329	1.121	1	4	7	CCOC(=O)C(C)(C)NC(=O)CCCn1cc[nH+]c1
342085686	ZINC000625356470	ref	3.15	-7.88	0	294.395	1.08	2	3	4	O=C(NCC[C@H]1CC=CCC1)C(=O)N1CCC[C@H](CO)C1
342085687	ZINC000625357551	ref	4.82	-5.73	0	280.368	1.12	1	3	7	C=CCN(CC=C)C(=O)C(=O)NCC[C@H]1CCCOC1
342085688	ZINC000212719801	ref	-0.2	-10.73	0	298.389	1.512	2	5	6	C=CC[C@H](CO)NS(=O)(=O)c1nc2ccccc2s1
342085689	ZINC000212719801	mid	-0.64	-50.23	-1	298.389	1.512	1	5	6	C=CC[C@H](CO)[N-]S(=O)(=O)c1nc2ccccc2s1
342085690	ZINC000047771464	ref	4.51	-17.24	0	298.314	1.71	1	4	5	COC(=O)N(C)CC(=O)N[C@H](C)c1ccc(OC)c(F)c1
342085691	ZINC000608952191	ref	5.34	-6.28	0	251.273	1.88	1	3	6	CCOC(=O)C(C)(C)NC(=O)CCC(C)(F)F
342085692	ZINC000033093880	ref	6.96	-50.88	1	257.337	1.638	2	2	5	C[C@@H](CNC(=O)/C=C/c1ccccc1C#N)[NH+](C)C
365626942	ZINC000336545984	ref	5.86	-8.94	0	291.347	2.107	0	4	2	Cc1cc(C(=O)N2CCOC[C@H]2[C@@H]2CCCC2=O)oc1C
282121087	ZINC000151615906	ref	3.11	-11.3	0	320.389	2.044	2	4	3	O=C(NC[C@H]1CCCCO1)N1CCO[C@@H](c2cccc(O)c2)C1
365626948	ZINC000336546362	ref	4.9	-6.47	0	265.357	2.173	1	3	2	CC(C)c1cc(C(=O)N2CC(C)(C)OC[C@@H]2C)[nH]n1
365626956	ZINC000336546362	mid	5.15	-7.61	0	265.357	2.173	1	3	2	CC(C)c1cc(C(=O)N2CC(C)(C)OC[C@@H]2C)n[nH]1
365626966	ZINC000336545867	ref	5.36	-13.1	0	295.379	2.286	1	3	3	CSCc1cc(C(=O)N2C[C@@H](O)C3(CC3)C2)ccc1F
365626974	ZINC000336546093	ref	3.82	-33.34	1	258.296	2.335	1	2	1	O[C@@H]1CN(c2cc[nH+]c3cc(F)ccc23)CC12CC2
214179362	ZINC000278477606	high	3.99	-49.91	-1	300.366	1.375	1	5	4	Cn1ccnc1-c1cc(NC(=O)[C@@H]2CCCN2C2CC2)n[n-]1
342085693	ZINC000033093880	high	4.72	-14.06	0	257.337	1.638	1	3	5	C[C@@H](CNC(=O)/C=C/c1ccccc1C#N)N(C)C
214179366	ZINC000278477563	ref	9.65	-13.71	0	322.825	2.664	0	7	3	CCn1cnnc1[C@H]1CCCN(c2nc(Cl)c(C#N)s2)C1
214179369	ZINC000278478168	ref	4.28	-40.75	1	318.461	2.3	2	3	5	C[C@H]1CN(Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)CCO1
185091383	ZINC000096080979	ref	7.87	-40.57	1	293.436	2.337	1	3	5	CCCCC[N@@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
214179372	ZINC000278478168	mid	6.53	-99.94	2	318.461	2.3	3	2	5	C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)CCO1
342085694	ZINC000625356235	ref	1.38	-5.8	0	262.687	1.937	1	3	3	OC[C@H]1CC(F)(F)CN1Cc1ncccc1Cl
342085695	ZINC000625357552	ref	4.82	-5.74	0	280.368	1.12	1	3	7	C=CCN(CC=C)C(=O)C(=O)NCC[C@@H]1CCCOC1
342085696	ZINC000625357418	ref	6.57	-5.49	0	296.411	1.662	0	3	4	CCN(C(=O)C(=O)N(C)CC1(C)COC1)C1CCCCC1
342085697	ZINC000625357657	ref	5.18	-6.11	0	284.4	1.568	1	3	7	CCCN(CCC)C(=O)C(=O)NCC[C@@H]1CCCOC1
342085698	ZINC000033093612	ref	6.84	-42.65	1	294.355	1.341	2	4	6	C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)[NH+](C)C
342085699	ZINC000033093612	high	4.51	-7.86	0	294.355	1.341	1	5	6	C[C@@H](CNC(=O)c1cc([N+](=O)[O-])ccc1N(C)C)N(C)C
342085700	ZINC000625357459	ref	4.31	-7.71	0	276.38	1.8	2	2	6	Cc1ccccc1C[C@@H](C)C(=O)N[C@@H](C(N)=O)C(C)C
342085701	ZINC000625356236	ref	1.51	-6.78	0	262.687	1.937	1	3	3	OC[C@@H]1CC(F)(F)CN1Cc1ncccc1Cl
342085702	ZINC000625357329	ref	5.41	-5.09	0	298.427	1.812	1	3	6	CCC[C@H](CNC(=O)C(=O)N1C[C@@H](C)C[C@@H](C)C1)OCC
342088588	ZINC000121553453	ref	6.09	-86.06	2	267.417	1.367	3	1	5	CC[NH+]1CCC(CCNC(=O)[C@]2(C)CCC[NH2+]2)CC1
192340031	ZINC000421442776	ref	8.12	-5.41	0	235.371	3.262	1	1	2	CC1(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1
192340034	ZINC000421441941	ref	5.37	-11.07	0	237.347	2.074	1	3	5	CC[C@@H](NC(=O)[C@H](C)c1ccnn1C)C(C)C
178296626	ZINC000082791917	ref	6.18	-6.28	0	298.18	2.369	0	3	2	COC(=O)[C@H](C)N1CCc2c(Br)cccc2C1
342085703	ZINC000046730651	ref	4.56	-10.36	0	293.273	1.031	1	4	4	Cn1nc(C(=O)NCCc2c(F)cccc2F)ccc1=O
342085704	ZINC000402873585	ref	5.12	-7.73	0	267.348	1.574	0	3	4	N#CC1(C(=O)N2CCN(CCCF)CC2)CCCC1
342085705	ZINC000402873585	mid	7.34	-45.95	1	267.348	1.574	1	2	4	N#CC1(C(=O)N2CC[NH+](CCCF)CC2)CCCC1
342085706	ZINC000625357560	ref	6.09	-17.21	0	288.351	1.759	0	5	3	CC(C)OC1CCN(C(=O)c2ccnc3ccnn23)CC1
342085707	ZINC000625357546	ref	7.25	-5.75	0	298.427	1.91	0	3	8	CCCCN(CCCC)C(=O)C(=O)N(C)CC1(C)COC1
282121089	ZINC000261843257	mid	9.58	-125.8	2	330.516	3.491	2	1	7	CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1
290623325	ZINC000492528749	ref	5.26	-52.23	1	297.424	2.408	1	4	4	COC(=O)N1CCC([C@@H](C)[NH2+]Cc2scnc2C)CC1
290623326	ZINC000492529523	ref	6.87	-10.98	0	296.411	2.358	0	3	1	C[C@@H]1CN(C(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C
365626943	ZINC000617396236	ref	3.22	-7.87	0	295.427	0.65	0	4	3	C[C@H](C(=O)N1CCO[C@](C)(C2CC2)C1)N1CCN(C)CC1
365626947	ZINC000617396236	mid	5.58	-38.18	1	295.427	0.65	1	3	3	C[C@H](C(=O)N1CCO[C@](C)(C2CC2)C1)N1CC[NH+](C)CC1
293080613	ZINC000452173281	ref	7.77	-37.26	1	282.428	1.848	1	2	5	COC[C@H](C)[C@H](C)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1
192340036	ZINC000421442123	ref	7.22	-7.75	0	237.318	3.299	1	1	4	CC[C@H](NC(=O)c1cccc(F)c1C)C(C)C
178296636	ZINC000082791465	ref	8.88	-35.51	0	273.254	2.537	1	2	2	C[C@@H](C(=O)[O-])[N@@H+]1CCc2c(cccc2C(F)(F)F)C1
365626955	ZINC000617394412	ref	5.16	-11.91	0	287.323	0.765	0	6	2	C[C@]1(C2CC2)CN(C(=O)c2ccc3nnnn3c2)CCO1
185091385	ZINC000096080979	mid	7.74	-42.29	1	293.436	2.337	1	3	5	CCCCC[N@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
185091387	ZINC000096081844	ref	2.4	-19.79	0	298.339	0.589	1	3	3	CS(=O)(=O)N1C[C@@H]2C[C@]2(NC(=O)c2cccc(F)c2)C1
178296637	ZINC000082791465	mid	8.89	-31.15	0	273.254	2.537	1	2	2	C[C@@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(F)(F)F)C1
178296638	ZINC000082791465	mid	6.71	-48.63	-1	273.254	2.537	0	3	2	C[C@@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1
192340039	ZINC000421444959	ref	4.48	-10.03	0	237.274	1.9	1	2	3	Cc1c(F)cccc1C(=O)NC[C@H]1CCOC1
168365805	ZINC000041053785	mid	3.43	-102.85	2	142.246	0.816	2	0	3	C[C@@H]([NH3+])[C@@H](C)[N@@H+](C)C1CC1
282121091	ZINC000248962950	mid	5.38	-36.33	1	320.433	1.501	3	3	7	Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H]1CO
282121094	ZINC000248962950	mid	2.97	-8.82	0	320.433	1.501	2	4	7	Cc1cccc(C)c1OCCNC(=O)CN1CC[C@H](C)[C@H]1CO
342600361	ZINC000616999235	mid	6.55	-40.77	1	270.417	1.894	2	2	5	CO[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
342600362	ZINC000616999050	ref	-0.31	-43.0	-1	262.269	1.01	2	4	4	COc1ccc([C@H](C)NC(=O)c2n[nH]c(=O)[n-]2)cc1
342600363	ZINC000616999330	ref	5.49	-38.76	1	268.401	1.65	2	2	5	COCC1(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1
342600364	ZINC000616999330	mid	5.53	-39.19	1	268.401	1.65	2	2	5	COCC1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CC1
342600365	ZINC000616998849	ref	5.24	-45.5	1	276.384	1.635	2	3	3	Cc1nnccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
306234561	ZINC000557853619	ref	2.48	-19.75	0	342.465	1.649	2	5	5	CC(C)n1cc([C@@H](C)NC(=O)NC[C@@H]2CCCS(=O)(=O)C2)cn1
192340037	ZINC000273862068	ref	7.9	-13.03	0	297.358	2.812	0	4	5	O=C1CCCN1Cc1ccc(-c2noc(CC3CC3)n2)cc1
342600366	ZINC000616998849	mid	5.28	-45.8	1	276.384	1.635	2	3	3	Cc1nnccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
299072509	ZINC000459277615	ref	6.46	-7.09	0	315.373	2.892	0	6	5	CCOC(=O)c1noc(CN2CCC[C@H]2c2ccc(C)cc2)n1
214179363	ZINC000337605995	ref	6.52	-10.35	0	279.343	2.24	2	4	5	OC[C@H](CNc1ncnc2ccccc12)c1ccccc1
342600367	ZINC000194690448	ref	5.73	-17.91	0	297.314	1.156	1	4	2	CN1C(=O)Cc2cc(NC(=O)c3ccc(=O)n(C)c3)ccc21
342600368	ZINC000590851316	ref	4.57	-57.2	-1	297.376	1.655	1	4	6	C[S@](=O)c1ccc(C(=O)NCCC(C)(C)C(=O)[O-])cc1
230235375	ZINC000334010148	ref	-0.93	-20.55	0	286.332	-1.333	3	4	5	CNC(=O)NCC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1
342600369	ZINC000590850312	ref	6.64	-15.48	0	292.383	1.799	1	4	4	O=C(NCC[C@@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
342600370	ZINC000590850312	low	7.35	-38.2	1	292.383	1.799	1	3	4	O=C(NCC[C@@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342600371	ZINC000590850460	ref	3.31	-19.23	0	286.397	1.005	1	3	3	O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H]1C1CC1
197600571	ZINC000290117077	ref	4.02	-59.91	1	250.273	1.201	1	3	4	CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc(F)c(C#N)c1
197600573	ZINC000290117077	mid	2.8	-9.75	0	250.273	1.201	1	4	4	CO[C@H]1COC[C@@H]1NCc1ccc(F)c(C#N)c1
230235379	ZINC000336831415	ref	-2.1	-15.24	0	287.316	-1.17	3	5	7	CCOC[C@H](O)CNC(=O)CN1C(=O)NC(C)(C)C1=O
230235384	ZINC000336435240	ref	-1.11	-19.6	0	269.305	-1.46	3	3	2	CNC(=O)NC1CN(C(=O)N[C@H]2CC(=O)N(C)C2)C1
365626945	ZINC000274335848	ref	1.79	-7.38	0	279.365	1.667	1	6	3	C[C@@H](O)C[C@H]1COCCN1c1ncnc2ccsc12
365626959	ZINC000274333169	ref	2.68	-15.47	0	289.335	1.222	2	4	3	COc1cc2c(cc1N[C@H]1CCN(C)C1=O)NC(=O)CC2
365626972	ZINC000274334415	ref	3.12	-12.16	0	288.351	1.734	3	3	7	Cc1n[nH]cc1CNC(=O)NCCOCc1ccccc1
365626981	ZINC000274334415	mid	3.08	-11.99	0	288.351	1.734	3	3	7	Cc1[nH]ncc1CNC(=O)NCCOCc1ccccc1
178296639	ZINC000082791909	ref	5.54	-6.08	0	284.153	1.98	0	3	2	COC(=O)CN1CCc2ccc(Br)cc2C1
282121092	ZINC000449151021	mid	5.91	-90.81	2	280.412	2.037	3	2	9	C[C@H](Cc1ccoc1)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO
282121099	ZINC000449151149	ref	7.11	-39.94	1	292.427	2.14	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(c2c[nH]cn2)CC1
282121101	ZINC000449151149	mid	7.08	-41.02	1	292.427	2.14	2	2	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(c2cnc[nH]2)CC1
342085708	ZINC000625357611	ref	6.08	-4.18	0	264.369	1.905	1	2	8	C=CCN(CC=C)C(=O)C(=O)NCCC(C)(C)C=C
342085709	ZINC000625356251	ref	5.22	-6.26	0	284.4	1.568	1	3	7	CCCCN(CC)C(=O)C(=O)NCC[C@@H]1CCCOC1
342085710	ZINC000625357266	ref	5.31	-10.59	0	280.368	1.05	0	3	2	C/C=C/C[C@H]1CCCN(C(=O)C(=O)N2CCOCC2)C1
342085711	ZINC000608952259	ref	6.02	-8.6	0	259.346	1.505	1	4	7	CCOC(=O)C(C)(C)NC(=O)[C@H](C)OCC(C)C
178296647	ZINC000082791815	ref	7.25	-6.06	0	261.365	2.515	0	3	2	COC(=O)CN1CCc2ccc(C(C)(C)C)cc2C1
168365807	ZINC000041053785	high	2.95	-25.46	1	142.246	0.816	2	1	3	C[C@@H](N)[C@@H](C)[N@H+](C)C1CC1
178296648	ZINC000082791815	low	9.94	-40.01	1	261.365	2.515	1	2	2	COC(=O)C[N@@H+]1CCc2ccc(C(C)(C)C)cc2C1
178296649	ZINC000082791815	low	9.94	-39.99	1	261.365	2.515	1	2	2	COC(=O)C[N@H+]1CCc2ccc(C(C)(C)C)cc2C1
282121107	ZINC000449151149	low	7.59	-85.2	2	292.427	2.14	2	1	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(c2c[nH+]c[nH]2)CC1
342088589	ZINC000121598801	ref	5.42	-44.43	1	287.407	1.914	2	2	3	C[C@]1(C(=O)N[C@@H]2CCCN(c3ccccc3)C2)CCC[NH2+]1
365626991	ZINC000274335248	ref	1.68	-6.24	0	283.343	1.806	1	4	5	COc1ccc(F)cc1CN1CCOC[C@@H]1C[C@H](C)O
365627000	ZINC000274335248	low	3.96	-35.84	1	283.343	1.806	2	3	5	COc1ccc(F)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](C)O
365627006	ZINC000274335248	low	4.03	-34.67	1	283.343	1.806	2	3	5	COc1ccc(F)cc1C[N@H+]1CCOC[C@@H]1C[C@H](C)O
349533754	ZINC000618810442	low	7.8	-53.65	1	286.331	1.609	1	4	3	COC(=O)[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCO1
365627013	ZINC000274334864	ref	4.22	-23.54	0	255.249	1.295	2	4	5	CCOC(=O)CCNC(=O)Nc1cccc(F)n1
192340038	ZINC000081922986	ref	3.66	-50.79	1	309.362	2.308	1	3	5	COc1cccc([C@H]([NH3+])CS(=O)(=O)c2ccccc2F)c1
259308988	ZINC000306266355	ref	4.9	-42.28	1	244.379	2.679	2	2	7	CCC[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C
349533755	ZINC000093228529	mid	1.93	-111.31	-2	295.263	0.344	0	5	7	O=C([O-])COCC[N-]S(=O)(=O)c1cc(F)ccc1F
349533760	ZINC000093231233	ref	3.62	-52.87	1	267.285	0.747	2	4	7	C[C@H](NC(=O)COCC[NH3+])c1cccc([N+](=O)[O-])c1
398247602	ZINC000651455463	ref	8.39	-6.87	0	282.453	3.102	1	2	2	CC(C)[C@H]1CN(C(=O)NC2CC3(CCC3)C2)CCS1
197600558	ZINC000162926627	ref	2.76	-11.2	0	320.389	1.979	3	4	6	C[C@H](CCO)NC(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1
398247604	ZINC000651456493	ref	7.53	-8.11	0	250.386	3.151	1	1	2	CC[C@]1(C)CCN(C(=O)NC2CC3(CCC3)C2)C1
214179374	ZINC000053361795	ref	4.89	-16.69	0	339.307	1.783	0	7	5	O=C1c2ccccc2C(=O)N1CCCn1nc(-c2ccco2)oc1=O
192340041	ZINC000081922986	mid	3.2	-13.83	0	309.362	2.308	1	4	5	COc1cccc([C@H](N)CS(=O)(=O)c2ccccc2F)c1
342085712	ZINC000625358894	ref	-2.03	-7.28	0	273.76	1.609	3	4	6	C[C@@H](CO)N(Cc1cc(O)ccc1Cl)C[C@@H](C)O
192340044	ZINC000081927215	ref	7.51	-10.33	0	304.419	2.244	0	5	1	Cc1cc(C(=O)N2CCSC(C)(C)C2)c2cnn(C)c2n1
190492700	ZINC000269421954	ref	5.2	-10.8	0	272.352	1.852	2	3	6	Cn1cccc1CNC(=O)NCCCc1ccccn1
192340050	ZINC000081925608	ref	6.29	-12.07	0	319.492	2.088	0	4	4	CC1(C)CN(C(=O)CCS(=O)(=O)C2CCCC2)CCS1
282121093	ZINC000248605088	mid	4.4	-52.0	1	336.44	-0.002	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1)CC2
214179387	ZINC000053366962	ref	4.36	-15.71	0	340.305	1.672	2	4	5	Cc1cc(C)n(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2F)n1
342085713	ZINC000625358894	mid	0.09	-32.03	1	273.76	1.609	4	3	6	C[C@@H](CO)[N@@H+](Cc1cc(O)ccc1Cl)C[C@@H](C)O
342085714	ZINC000625358894	mid	0.29	-30.62	1	273.76	1.609	4	3	6	C[C@@H](CO)[N@H+](Cc1cc(O)ccc1Cl)C[C@@H](C)O
168365808	ZINC000041053785	high	2.87	-26.01	1	142.246	0.816	2	1	3	C[C@@H](N)[C@@H](C)[N@@H+](C)C1CC1
342085715	ZINC000625358894	high	-1.08	-48.5	-1	273.76	1.609	2	4	6	C[C@@H](CO)N(Cc1cc([O-])ccc1Cl)C[C@@H](C)O
342085716	ZINC000625358249	ref	4.85	-33.27	1	257.374	1.275	2	3	7	CCO[C@H](C[N@H+](C)CC1(O)CCOCC1)C1CC1
168365810	ZINC000039244671	ref	-1.8	-41.7	1	103.165	-0.038	2	1	2	C[C@@H]([NH3+])[C@@H](C)CO
168365812	ZINC000036828024	ref	4.83	-61.47	1	177.211	0.014	1	4	2	C[C@@H]([NH3+])Cc1nnc2ncccn12
168365815	ZINC000100690626	ref	-4.58	-35.89	1	109.065	-0.412	3	2	1	C[C@@H]([NH3+])P(O)O
342085717	ZINC000625358249	mid	4.84	-33.92	1	257.374	1.275	2	3	7	CCO[C@H](C[N@@H+](C)CC1(O)CCOCC1)C1CC1
230742252	ZINC000414360650	ref	10.54	-11.28	0	315.417	3.38	0	3	5	CC(C)CCc1ccc(N2C(=O)[C@@H](C)N(C3CCC3)C2=O)nc1
342085718	ZINC000625358891	ref	-1.2	-6.29	0	273.76	1.609	3	4	6	C[C@@H](O)CN(Cc1cc(O)ccc1Cl)[C@H](C)CO
342085719	ZINC000625358891	mid	0.27	-28.97	1	273.76	1.609	4	3	6	C[C@@H](O)C[N@H+](Cc1cc(O)ccc1Cl)[C@H](C)CO
342085720	ZINC000625358891	mid	-0.03	-32.24	1	273.76	1.609	4	3	6	C[C@@H](O)C[N@@H+](Cc1cc(O)ccc1Cl)[C@H](C)CO
342085721	ZINC000625358891	high	-1.09	-46.17	-1	273.76	1.609	2	4	6	C[C@@H](O)CN(Cc1cc([O-])ccc1Cl)[C@H](C)CO
342085722	ZINC000625358962	ref	0.82	-7.44	0	251.33	1.54	1	5	4	C[C@H]1CCN(Cc2noc(C3CCC3)n2)[C@@H]1CO
342085723	ZINC000625358962	low	2.58	-31.32	1	251.33	1.54	2	4	4	C[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@@H]1CO
192340040	ZINC000273863723	ref	2.07	-15.27	0	284.385	0.884	2	6	5	CNc1nnc(CC(=O)N2CCC[C@H]2C[C@H](C)O)s1
365626949	ZINC000354692291	ref	7.42	-16.61	0	272.352	1.967	1	4	5	CCc1ccc(C(=O)N[C@@H](C)Cn2ccnc2)c(C)n1
365626957	ZINC000354692291	low	7.93	-44.33	1	272.352	1.967	1	3	5	CCc1ccc(C(=O)N[C@@H](C)Cn2cc[nH+]c2)c(C)n1
365626965	ZINC000354692038	ref	5.68	-9.78	0	256.346	1.816	2	3	6	CCOC(=O)CC[C@H](C)NC(=O)N[C@@H]1CC[C@@H]1C
365626976	ZINC000354691584	ref	6.01	-34.88	1	295.427	1.378	2	2	4	CC[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)CCC1
365626983	ZINC000354691584	high	4.29	-3.56	0	295.427	1.378	1	3	4	CC[C@@H]1CCCCN1C(=O)C(=O)NCC1(N(C)C)CCC1
342085724	ZINC000625358962	low	3.12	-30.02	1	251.33	1.54	2	4	4	C[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@@H]1CO
178296660	ZINC000082791840	ref	5.57	-9.94	0	263.293	1.004	0	5	3	COC(=O)CN1CCc2ccc(C(=O)OC)cc2C1
192340043	ZINC000273862828	ref	4.35	-10.0	0	275.226	2.085	0	4	4	O=C(COc1cccc(C(F)(F)F)n1)[C@H]1CCOC1
192340046	ZINC000273862906	ref	2.74	-12.7	0	292.339	1.661	1	5	3	C[C@@H]1CC(c2noc(CN3CC(=O)NC3=O)n2)C[C@@H](C)C1
342085725	ZINC000625358490	ref	7.78	-41.85	1	290.411	1.912	1	3	3	CCn1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c(C)n1
168365817	ZINC000100690626	high	-4.96	-6.94	0	109.065	-0.412	3	3	1	C[C@@H](N)P(O)O
342085726	ZINC000625358490	high	5.37	-12.13	0	290.411	1.912	0	4	3	CCn1cc(C(=O)N2CCC[C@H](N3CCCC3)C2)c(C)n1
342085727	ZINC000625358695	ref	3.82	-35.95	1	279.34	1.384	1	4	3	COc1nc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)co1
192340048	ZINC000273862906	high	0.9	-41.95	-1	292.339	1.661	0	5	3	C[C@@H]1CC(c2noc(CN3CC(=O)[N-]C3=O)n2)C[C@@H](C)C1
342085728	ZINC000625358695	high	1.41	-7.23	0	279.34	1.384	0	5	3	COc1nc(C(=O)N2CCC[C@H](N3CCCC3)C2)co1
178296664	ZINC000082791383	ref	10.61	-69.74	0	297.354	2.822	1	3	5	O=C([O-])c1cccc2c1CC[N@H+](CCOc1ccccc1)C2
365626962	ZINC000479767578	ref	1.35	-12.32	0	298.305	1.224	2	3	5	CO[C@@H](CCNC(=O)N1C[C@@H](C)[C@H](CO)C1)C(F)(F)F
365626975	ZINC000479769826	ref	7.46	-102.23	2	252.402	1.733	1	2	4	C[C@H]1CCCC[C@@H]1OCCN1C[C@@H]2C[NH2+]C[C@@H]2C1
178296665	ZINC000082791383	mid	10.55	-68.18	0	297.354	2.822	1	3	5	O=C([O-])c1cccc2c1CC[N@@H+](CCOc1ccccc1)C2
365626984	ZINC000479769826	mid	7.19	-100.61	2	252.402	1.733	2	1	4	C[C@H]1CCCC[C@@H]1OCC[N@@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
365626988	ZINC000479769826	mid	7.46	-102.23	2	252.402	1.733	2	1	4	C[C@H]1CCCC[C@@H]1OCC[N@H+]1C[C@@H]2C[NH2+]C[C@@H]2C1
365626995	ZINC000641593139	ref	6.65	-43.14	1	257.403	1.181	1	2	0	C[N@@H+]1CCN(C(=O)N2CCSCC2)CC1(C)C
282121095	ZINC000263022293	ref	8.99	-38.04	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C)C(=O)[O-]
365627001	ZINC000641593139	mid	6.71	-43.64	1	257.403	1.181	1	2	0	C[N@H+]1CCN(C(=O)N2CCSCC2)CC1(C)C
282121103	ZINC000263105080	ref	8.81	-35.78	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CC(C)(C)C[C@H]1C)C(=O)[O-]
178296666	ZINC000082791383	high	8.25	-55.27	-1	297.354	2.822	0	4	5	O=C([O-])c1cccc2c1CCN(CCOc1ccccc1)C2
168365552	ZINC000368506384	low	10.8	-47.09	1	343.427	3.135	1	4	3	Cc1cccc([C@]2(F)CC[N@@H+](Cc3cc(=O)n4ccsc4n3)C2)c1
342085729	ZINC000625358033	ref	4.8	-6.16	0	282.384	1.344	1	3	6	C=C(C)CN(CC)C(=O)C(=O)NCC[C@H]1CCCOC1
342085730	ZINC000625357308	ref	5.55	-9.04	0	278.356	1.643	0	5	4	CC(C)OC1CCN(C(=O)c2cn(C3CC3)nn2)CC1
342085731	ZINC000625358111	ref	2.45	-5.65	0	270.417	1.63	3	2	4	C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)[C@@H]([C@@H](C)O)C1
342085732	ZINC000625358111	mid	4.57	-34.53	1	270.417	1.63	3	2	4	C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)[C@@H]([C@@H](C)O)C1
342085733	ZINC000625358111	mid	2.45	-5.65	0	270.417	1.63	2	3	4	C[C@@H]1CCN(CC(=O)NCC(C)(C)C)[C@@H]([C@@H](C)O)C1
282121117	ZINC000263079017	ref	6.43	-45.8	0	297.317	2.577	1	3	6	CCC(CC)(C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)C(=O)[O-]
365627007	ZINC000641593139	mid	4.48	-8.07	0	257.403	1.181	0	3	0	CN1CCN(C(=O)N2CCSCC2)CC1(C)C
365627011	ZINC000479771249	ref	1.0	-53.91	1	284.381	1.08	2	3	4	COc1c(C)cc(S(=O)(=O)N[C@H]2C[C@H]([NH3+])C2)cc1C
342085734	ZINC000625357718	ref	5.99	-5.91	0	296.411	1.568	1	3	7	CCCN(CC1CC1)C(=O)C(=O)NCC[C@@H]1CCCOC1
365627022	ZINC000641593280	ref	6.63	-44.43	1	296.436	1.851	0	3	3	Cc1cccc(CS(=O)(=O)N2CCN(C)C(C)(C)C2)c1
365627029	ZINC000641593280	low	6.5	-46.16	1	296.436	1.851	1	2	3	Cc1cccc(CS(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c1
342600372	ZINC000616999409	ref	6.01	-37.24	1	280.412	1.648	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1
365626963	ZINC000617396911	ref	3.45	-7.34	0	283.368	0.801	1	4	3	C[C@@]1(C2CC2)CN(C(=O)[C@@H](O)C2CCOCC2)CCO1
214179373	ZINC000278478168	mid	6.55	-100.27	2	318.461	2.3	3	2	5	C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)CCO1
214179377	ZINC000278477044	ref	9.18	-9.21	0	310.401	3.105	0	5	4	Cc1cnccc1OC1CCN(c2ccnc(C3CC3)n2)CC1
178296672	ZINC000082791887	ref	4.94	-9.8	0	279.336	1.623	0	5	4	COC(=O)[C@H](C)N1CCc2c(ccc(OC)c2OC)C1
342600373	ZINC000616999409	mid	5.97	-36.75	1	280.412	1.648	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)C1
365626970	ZINC000617396909	ref	3.88	-8.88	0	283.368	0.801	1	4	3	C[C@@]1(C2CC2)CN(C(=O)[C@H](O)C2CCOCC2)CCO1
365626977	ZINC000617395087	ref	3.36	-12.56	0	289.397	0.695	0	4	4	C[C@H](CS(C)(=O)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
342600374	ZINC000616999283	ref	6.03	-40.62	1	278.4	1.753	2	3	4	CCn1nccc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600375	ZINC000616999283	mid	5.96	-40.23	1	278.4	1.753	2	3	4	CCn1nccc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
365626985	ZINC000617394985	ref	3.8	-18.4	0	293.323	0.127	1	5	2	Cn1c(=O)[nH]cc(C(=O)N2CCO[C@](C)(C3CC3)C2)c1=O
178296673	ZINC000082791411	ref	6.12	-54.29	-1	259.227	2.305	0	3	2	O=C([O-])c1ccc2c(c1)CN(CC(F)(F)F)CC2
342600376	ZINC000616998991	ref	5.28	-18.43	0	271.328	1.575	2	6	5	CC[C@H](C)c1nnc([C@@H](C)Nc2ccc(C#N)nn2)[nH]1
214179378	ZINC000278477044	mid	9.64	-40.88	1	310.401	3.105	0	4	4	Cc1c[nH+]ccc1OC1CCN(c2ccnc(C3CC3)n2)CC1
282121096	ZINC000151608489	ref	5.57	-12.94	0	314.385	2.202	2	4	7	CCOc1cccnc1C(=O)N[C@@H](C)[C@H](O)Cc1ccccc1
365626993	ZINC000617397703	ref	1.72	-17.12	0	290.323	0.217	1	5	3	C[C@@]1(C2CC2)CN(C(=O)c2nccnc2C(N)=O)CCO1
178296674	ZINC000082791850	ref	6.54	-8.78	0	277.32	1.393	0	5	3	COC(=O)c1ccc2c(c1)CN([C@@H](C)C(=O)OC)CC2
192340042	ZINC000421445309	ref	7.63	-8.27	0	247.313	3.22	1	1	3	Cc1c(F)cccc1C(=O)NC[C@@H]1CC=CCC1
192340045	ZINC000421441198	ref	9.51	-7.13	0	223.36	3.214	0	1	6	CCCCN(C(=O)[C@H]1CC12CC2)[C@H](C)CC
342600377	ZINC000616998991	mid	4.76	-11.88	0	271.328	1.575	2	6	5	CC[C@H](C)c1nc([C@@H](C)Nc2ccc(C#N)nn2)n[nH]1
342600378	ZINC000616998829	ref	3.71	-41.33	1	286.441	1.091	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(O)CCSC2)C1
342600379	ZINC000616998829	mid	3.76	-41.71	1	286.441	1.091	3	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@]2(O)CCSC2)C1
342085735	ZINC000625358648	ref	3.28	-5.8	0	297.37	1.987	2	3	7	CO[C@H](C[N@H+](CCO)C1CCOCC1)c1ccc(F)cc1
365626973	ZINC000623056532	ref	1.29	-54.87	1	311.407	1.211	3	3	5	CS(=O)(=O)c1ccc(NC(=O)NCC[C@H]2CC[NH2+]C2)cc1
365626986	ZINC000623057171	ref	3.3	-52.0	1	300.362	1.124	2	3	3	[NH3+]CC[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1
282121098	ZINC000113458021	ref	4.12	-53.38	1	343.424	1.221	2	3	5	C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c(NS(C)(=O)=O)c2)C1
398247606	ZINC000651456836	ref	7.97	-7.78	0	264.413	3.397	1	1	1	CC(C)(C)[C@@H]1CCN(C(=O)NC2CC3(CCC3)C2)C1
342085736	ZINC000625358648	mid	4.43	-38.8	1	297.37	1.987	2	3	7	CO[C@H](C[N@@H+](CCO)C1CCOCC1)c1ccc(F)cc1
342085737	ZINC000625358648	high	3.28	-5.8	0	297.37	1.987	1	4	7	CO[C@H](CN(CCO)C1CCOCC1)c1ccc(F)cc1
343994639	ZINC000079933956	low	9.16	-36.25	1	261.35	2.136	0	3	5	O=C(Cn1cc[nH+]c1)N(Cc1cccs1)C1CC1
343994641	ZINC000079929075	ref	6.93	-63.74	1	291.351	2.304	2	3	7	CCC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1
398247608	ZINC000651456584	ref	8.37	-9.92	0	299.418	3.303	1	2	2	O=C(NC1CC2(CCC2)C1)N1CCC(c2ccccn2)CC1
343994643	ZINC000079929075	high	5.48	-13.17	0	291.351	2.304	2	4	7	CCC[C@H](NC[C@@H]1CCC(=O)N1)c1cccc([N+](=O)[O-])c1
136228729	ZINC000285194113	ref	5.66	-4.32	0	223.703	3.121	0	2	3	C=C(Cl)CN1CCC=C(c2ccco2)C1
136228730	ZINC000285194113	low	8.11	-35.7	1	223.703	3.121	1	1	3	C=C(Cl)C[N@@H+]1CCC=C(c2ccco2)C1
178296682	ZINC000082791380	ref	12.44	-67.43	0	295.382	3.376	1	2	5	O=C([O-])c1cccc2c1CC[N@H+](CCCc1ccccc1)C2
178296683	ZINC000082791380	mid	12.42	-67.38	0	295.382	3.376	1	2	5	O=C([O-])c1cccc2c1CC[N@@H+](CCCc1ccccc1)C2
178296684	ZINC000082791380	high	10.16	-51.75	-1	295.382	3.376	0	3	5	O=C([O-])c1cccc2c1CCN(CCCc1ccccc1)C2
342085738	ZINC000625358281	ref	9.02	-38.08	1	280.412	1.888	1	2	5	CCO[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CC1
192340047	ZINC000421445014	ref	7.15	-5.83	0	249.379	3.109	1	2	3	Cc1ccsc1CNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1
192340049	ZINC000421441774	ref	6.19	-9.02	0	225.332	1.917	0	2	5	COCCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
342085739	ZINC000625358281	high	6.62	-9.27	0	280.412	1.888	0	3	5	CCO[C@@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC1
136228731	ZINC000285194113	low	8.12	-37.32	1	223.703	3.121	1	1	3	C=C(Cl)C[N@H+]1CCC=C(c2ccco2)C1
342085740	ZINC000625358398	ref	5.73	-5.35	0	284.4	1.732	1	3	9	C=C(C)CN(CC)C(=O)C(=O)NC[C@H](CCC)OCC
342085741	ZINC000625358279	ref	8.95	-39.15	1	280.412	1.888	1	2	5	CCO[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CC1
178296688	ZINC000082791852	ref	6.42	-9.09	0	277.32	1.393	0	5	3	COC(=O)c1ccc2c(c1)CN([C@H](C)C(=O)OC)CC2
343994640	ZINC000599272679	low	7.52	-40.56	1	274.368	1.808	1	3	4	Cc1cn2c([nH+]1)C[C@H](C(=O)N[C@H](C#N)CC(C)C)CC2
365626978	ZINC000336546093	mid	3.39	-7.12	0	258.296	2.335	1	3	1	O[C@@H]1CN(c2ccnc3cc(F)ccc23)CC12CC2
365626987	ZINC000336545613	ref	5.24	-7.39	0	251.37	2.33	1	2	2	CC1(CC(=O)N2C[C@H](O)C3(CC3)C2)CCCCC1
343994642	ZINC000599273074	ref	7.57	-53.21	1	299.378	1.378	1	5	8	COCC[N@H+](CCc1cn(C)nn1)Cc1ccc(C#N)cc1
342085742	ZINC000625358279	high	6.55	-10.48	0	280.412	1.888	0	3	5	CCO[C@H](C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC1
365626998	ZINC000336545950	ref	5.4	-10.73	0	299.292	2.231	1	2	2	O=C(Cc1ccccc1C(F)(F)F)N1C[C@H](O)C2(CC2)C1
365627005	ZINC000336545881	ref	4.12	-8.13	0	282.315	2.012	1	3	3	CO[C@H]1CN(C(=O)Nc2ccc(C)cc2F)C[C@@H]1OC
365627012	ZINC000336545866	ref	6.82	-17.17	0	297.354	2.202	1	3	3	O=C(COc1cccc2ccccc12)N1C[C@@H](O)C2(CC2)C1
365627021	ZINC000336545833	ref	5.7	-10.38	0	285.343	2.326	0	3	3	CO[C@H]1CN(C(=O)c2ccc3ccccc3c2)C[C@@H]1OC
178296692	ZINC000082791836	ref	2.47	-11.29	0	262.309	0.705	1	4	3	COC(=O)c1ccc2c(c1)CN([C@H](C)C(N)=O)CC2
178296693	ZINC000082791836	low	4.87	-45.2	1	262.309	0.705	2	3	3	COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)C(N)=O)CC2
178296695	ZINC000082791836	low	4.72	-43.16	1	262.309	0.705	2	3	3	COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)C(N)=O)CC2
342085743	ZINC000625358410	ref	0.06	-5.36	0	298.814	1.934	3	3	4	CC1(C)CN(Cc2cc(O)ccc2Cl)CC[N@@H+]1CCO
178296697	ZINC000082791833	ref	3.25	-12.1	0	262.309	0.577	1	4	3	CNC(=O)CN1CCc2ccc(C(=O)OC)cc2C1
178296698	ZINC000082791833	low	5.85	-49.49	1	262.309	0.577	2	3	3	CNC(=O)C[N@@H+]1CCc2ccc(C(=O)OC)cc2C1
365627040	ZINC000336546173	ref	9.68	-40.45	1	270.376	2.156	1	1	3	O=C1CCCN1CC[N@@H+]1Cc2ccccc2C2(CC2)C1
178296699	ZINC000082791833	low	5.85	-49.47	1	262.309	0.577	2	3	3	CNC(=O)C[N@H+]1CCc2ccc(C(=O)OC)cc2C1
342085744	ZINC000625358410	mid	2.24	-30.98	1	298.814	1.934	3	3	4	CC1(C)CN(Cc2cc(O)ccc2Cl)CC[N@H+]1CCO
290623327	ZINC000361132184	ref	3.32	-47.54	-1	345.852	2.088	1	3	4	CNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)N1CCC(C)CC1
365627046	ZINC000336546173	mid	9.68	-41.77	1	270.376	2.156	1	1	3	O=C1CCCN1CC[N@H+]1Cc2ccccc2C2(CC2)C1
192340051	ZINC000273863460	ref	5.88	-10.28	0	285.303	2.885	1	5	4	COC(=O)C[C@H](C)c1nc(-c2ccc3cc[nH]c3c2)no1
192340054	ZINC000273864935	ref	6.79	-6.78	0	278.352	2.485	1	5	5	CCOC(=O)c1cccnc1NC[C@@H]1CCO[C@@H](C)C1
342085745	ZINC000625358410	high	0.06	-5.36	0	298.814	1.934	2	4	4	CC1(C)CN(Cc2cc(O)ccc2Cl)CCN1CCO
230742285	ZINC000425577857	ref	6.78	-14.87	0	317.433	2.319	2	2	8	CC[C@@H]1CCN1C(=O)NCCNC(=O)CCCc1ccccc1
178296694	ZINC000237092292	ref	5.0	-58.56	1	351.472	1.216	1	3	4	C[NH2+]C[C@H]1CCN(S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)C1
197600578	ZINC000290116657	ref	11.64	-12.49	0	271.368	2.838	1	4	7	C=CCn1c(-c2ccc[nH]2)nnc1N(CCC)C1CC1
197600581	ZINC000290116400	ref	9.5	-44.17	1	270.376	1.763	1	1	3	C#Cc1ccccc1CC(=O)N1CC[NH+](C(C)C)CC1
197600583	ZINC000290116400	mid	7.35	-10.18	0	270.376	1.763	0	2	3	C#Cc1ccccc1CC(=O)N1CCN(C(C)C)CC1
349533757	ZINC000621226424	ref	5.74	-10.88	0	277.29	2.437	2	2	6	CC(C)(CNC(=O)CCc1c[nH]cn1)CC(F)(F)F
214179375	ZINC000337608291	ref	3.89	-12.87	0	299.378	2.057	3	4	5	Cc1cc(C)c(NC(=O)NCCNc2cnccn2)c(C)c1
178296700	ZINC000237084090	ref	0.69	-60.94	1	360.501	1.276	2	4	6	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])c1
192340057	ZINC000273864368	ref	5.94	-19.64	0	253.367	1.975	0	2	5	CCN(C)C(=O)C[S@](=O)[C@@H](C)c1ccccc1
192340059	ZINC000273863888	ref	6.69	-7.52	0	264.325	2.236	1	5	4	CC(C)OC(=O)c1cccnc1N[C@H]1CCO[C@H]1C
342085746	ZINC000625358396	ref	5.47	-5.49	0	284.4	1.732	1	3	9	C=C(C)CN(CC)C(=O)C(=O)NC[C@@H](CCC)OCC
342085747	ZINC000625358432	ref	9.11	-45.65	1	276.384	1.278	1	3	3	Cc1cncn1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1
178296706	ZINC000237094017	ref	3.03	-50.39	-1	354.35	1.547	1	5	8	CN(CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1)CC(F)(F)F
178296711	ZINC000237084401	ref	6.68	-41.2	1	371.481	1.815	2	3	6	COc1ccccc1/C=C/C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
342085748	ZINC000625358432	mid	9.63	-80.71	2	276.384	1.278	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1
342085749	ZINC000625358491	ref	7.83	-41.29	1	290.411	1.912	1	3	3	CCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c(C)n1
342085750	ZINC000625358491	high	5.4	-11.68	0	290.411	1.912	0	4	3	CCn1cc(C(=O)N2CCC[C@@H](N3CCCC3)C2)c(C)n1
342085751	ZINC000625358117	ref	4.89	-16.71	0	296.367	1.492	0	5	10	CCOCCN(CC)C(=O)COCc1ccc(OC)nc1
365626980	ZINC000341000766	ref	4.08	-47.8	1	293.392	1.651	3	4	5	CC[C@H]1C[N@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1O
282121100	ZINC000248605088	mid	2.44	-16.96	0	336.44	-0.002	2	6	3	Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)CC2
282121104	ZINC000333717361	ref	8.28	-51.93	1	332.452	1.027	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@@H+](C3CC3)C[C@@H](C)C1)CC2
365627008	ZINC000341000766	mid	4.11	-46.29	1	293.392	1.651	3	4	5	CC[C@H]1C[N@@H+](CCC(=O)Nc2sccc2C#N)C[C@@H]1O
282121115	ZINC000333717361	mid	8.83	-51.0	1	332.452	1.027	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CC[N@H+](C3CC3)C[C@@H](C)C1)CC2
365627014	ZINC000341000766	high	1.6	-8.16	0	293.392	1.651	2	5	5	CC[C@H]1CN(CCC(=O)Nc2sccc2C#N)C[C@@H]1O
365627025	ZINC000172858569	ref	4.61	-9.02	0	276.384	1.963	1	4	3	CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccnn1C
214179380	ZINC000337608492	ref	5.42	-9.6	0	275.396	2.381	1	3	3	CC(C)(C)CCC(=O)N1CCN[C@@H](c2cccnc2)C1
365627045	ZINC000172858779	ref	4.76	-11.93	0	291.347	1.714	1	4	6	CCOCCNC(=O)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2
342600380	ZINC000590851461	ref	3.09	-17.84	0	290.298	1.563	2	3	2	Cc1cc(NC(=O)N2CC[C@](F)(C#N)C2)cc(C(N)=O)c1
214179381	ZINC000337608492	low	6.52	-52.28	1	275.396	2.381	1	2	3	CC(C)(C)CCC(=O)N1CC[NH2+][C@@H](c2cccnc2)C1
342600381	ZINC000616998673	ref	7.06	-38.03	1	263.385	1.875	2	2	3	Cn1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1
365627061	ZINC000172858746	ref	5.68	-19.55	0	288.351	1.177	1	5	7	CCOCCNC(=O)Cc1nnc(-c2ccccc2)n1C
365627074	ZINC000172860909	ref	0.93	-11.6	0	260.297	1.733	2	5	6	CCCc1nc(CNc2ccc(C(N)=O)cc2)no1
365627088	ZINC000541114049	ref	5.18	-18.18	0	260.322	1.139	1	5	2	N#Cc1c(N[C@@H]2CC[S@](=O)C2)nc2ccccn12
365627100	ZINC000172853673	ref	5.24	-9.68	0	285.347	1.748	2	3	4	Cc1cc(C)cc(C[C@@H](C)NC(=O)c2ccc(=O)[nH]n2)c1
365627108	ZINC000172859957	ref	5.35	-17.29	0	299.33	1.933	1	5	3	Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccc3c(c2)OCCO3)cn1
365627120	ZINC000172853952	ref	2.92	-19.02	0	276.336	1.203	2	3	4	CNC(=O)c1cccc(C(=O)NC[C@@H]2CCCOC2)c1
365627135	ZINC000172854927	ref	2.79	-12.21	0	274.324	1.994	2	5	6	CCCc1nc(CNc2ccccc2C(=O)NC)no1
365627154	ZINC000172865218	ref	5.81	-27.43	0	294.301	1.415	1	2	3	CN1CC[C@H](NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)C1=O
349533759	ZINC000618811322	ref	6.94	-5.53	0	255.358	1.829	0	4	3	CC1(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1
398247607	ZINC000381287891	ref	4.07	-50.29	1	210.321	1.516	1	1	2	CC1([NH3+])CCN(C(=O)CC2CCC2)CC1
365626994	ZINC000354693620	ref	6.24	-11.14	0	285.384	1.584	1	4	3	CC(C)[C@H](O)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1
365627010	ZINC000354692036	ref	5.56	-10.01	0	256.346	1.816	2	3	6	CCOC(=O)CC[C@H](C)NC(=O)N[C@H]1CC[C@@H]1C
343994644	ZINC000599273074	mid	7.53	-54.67	1	299.378	1.378	1	5	8	COCC[N@@H+](CCc1cn(C)nn1)Cc1ccc(C#N)cc1
342085752	ZINC000625358501	ref	3.12	-10.17	0	292.305	1.401	1	4	4	CO[C@]1(C(F)(F)F)CCC[N@H+](CCc2cn(C)nn2)C1
342085753	ZINC000625358501	mid	5.41	-44.2	1	292.305	1.401	1	4	4	CO[C@]1(C(F)(F)F)CCC[N@@H+](CCc2cn(C)nn2)C1
365627019	ZINC000354693517	ref	4.77	-46.16	-1	278.308	1.345	1	5	5	CCOC(=O)CN(C(=O)c1cncc(O)c1)C1CCC1
365627026	ZINC000354693517	mid	4.77	-46.16	-1	278.308	1.345	0	5	5	CCOC(=O)CN(C(=O)c1cncc([O-])c1)C1CCC1
230742297	ZINC000425586067	ref	3.62	-20.57	0	316.467	2.247	2	3	9	C=CCC1(CNC(=O)NCCCCS(C)(=O)=O)CCCC1
365627030	ZINC000354692977	ref	1.91	-12.05	0	288.388	1.296	2	4	9	COCCOCCCCNC(=O)N[C@@H]1CCO[C@H](C)C1
365627044	ZINC000354693673	ref	9.4	-14.97	0	287.319	1.502	0	4	3	CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1
365627051	ZINC000354693673	mid	9.4	-14.97	0	287.319	1.502	0	5	3	CCOC(=O)[C@@H]1CCCN1C(=O)c1ccc2cncn2c1
365627059	ZINC000354693619	ref	6.11	-10.8	0	285.384	1.584	1	4	3	CC(C)[C@@H](O)C(=O)N1CCC[C@H](C(=O)OC(C)(C)C)C1
365627072	ZINC000354691650	ref	8.53	-46.91	1	260.341	1.7	1	4	6	COC[C@@H](C)[NH2+]Cc1ccc(-n2cncn2)c(C)c1
282121102	ZINC000248960534	ref	6.8	-50.2	1	301.456	1.684	3	3	4	CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCS[C@@H](C)CC1
342085754	ZINC000625358501	mid	3.12	-10.17	0	292.305	1.401	0	5	4	CO[C@]1(C(F)(F)F)CCCN(CCc2cn(C)nn2)C1
365627081	ZINC000354691650	high	7.29	-7.74	0	260.341	1.7	1	5	6	COC[C@@H](C)NCc1ccc(-n2cncn2)c(C)c1
365627087	ZINC000354691662	ref	2.37	-9.89	0	266.341	1.189	2	3	4	CCc1[nH]ccc1C(=O)N1CCOC[C@H]1C[C@H](C)O
365627094	ZINC000354692711	ref	3.54	-11.4	0	296.367	1.4	3	4	5	CCc1[nH]ccc1C(=O)NC[C@@](C)(O)C(=O)OC(C)(C)C
365627106	ZINC000354691348	ref	3.82	-45.15	1	283.416	1.186	3	2	8	CC(C)CC[C@@H](C)NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1
342085755	ZINC000625358112	ref	2.98	-6.98	0	270.417	1.63	3	2	4	C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C)[C@H]([C@@H](C)O)C1
342085756	ZINC000625358112	mid	4.76	-34.89	1	270.417	1.63	3	2	4	C[C@@H]1CC[N@@H+](CC(=O)NCC(C)(C)C)[C@H]([C@@H](C)O)C1
342085757	ZINC000625358112	mid	2.98	-6.98	0	270.417	1.63	2	3	4	C[C@@H]1CCN(CC(=O)NCC(C)(C)C)[C@H]([C@@H](C)O)C1
342085758	ZINC000625358034	ref	4.8	-6.18	0	282.384	1.344	1	3	6	C=C(C)CN(CC)C(=O)C(=O)NCC[C@@H]1CCCOC1
342600382	ZINC000616998673	mid	7.06	-38.72	1	263.385	1.875	2	2	3	Cn1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1
342600383	ZINC000616999234	ref	6.6	-40.51	1	270.417	1.894	2	2	5	CO[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C
197600587	ZINC000162927566	ref	4.56	-12.02	0	320.389	2.8	2	4	4	CC(C)(C)OC(=O)Nc1ccccc1C(=O)NC[C@@H]1CCOC1
342600384	ZINC000616999234	mid	6.54	-40.02	1	270.417	1.894	2	2	5	CO[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C(C)C
342600385	ZINC000590850602	ref	7.88	-13.9	0	263.345	1.252	1	4	5	O=C(NCCCn1cncn1)N1CCC[C@H]1C1CC1
178296705	ZINC000082791418	ref	10.75	-74.56	0	297.354	2.822	1	3	5	O=C([O-])c1ccc2c(c1)C[N@@H+](CCOc1ccccc1)CC2
342600386	ZINC000616999284	ref	6.01	-39.97	1	278.4	1.753	2	3	4	CCn1nccc1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
192340052	ZINC000081925271	ref	7.35	-7.09	0	316.426	3.618	0	4	2	Cc1nc(-c2ccccc2)oc1C(=O)N1CCSC(C)(C)C1
365626996	ZINC000623057171	mid	2.23	-76.26	0	300.362	1.124	1	3	3	[NH3+]CC[C@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1
230742296	ZINC000414361684	ref	7.47	-8.79	0	316.401	3.479	1	3	3	CC1CCC2(CC1)NC(=O)N(c1cccc(OC(C)C)c1)C2=O
342600387	ZINC000616999284	mid	6.04	-40.4	1	278.4	1.753	2	3	4	CCn1nccc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
230742299	ZINC000414362275	ref	8.87	-8.62	0	313.401	3.147	1	5	8	CCOC(=O)CCc1ccc(NCc2cnc(CC)nc2)cc1
342600388	ZINC000590850490	ref	5.59	-11.12	0	266.345	1.266	1	4	5	CCOCCNC(=O)N1CCC[C@H](n2ccnc2)C1
342600389	ZINC000590850490	low	6.3	-40.9	1	266.345	1.266	1	3	5	CCOCCNC(=O)N1CCC[C@H](n2cc[nH+]c2)C1
342600390	ZINC000590850313	ref	6.68	-15.63	0	292.383	1.799	1	4	4	O=C(NCC[C@@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
365627004	ZINC000623056962	ref	2.18	-49.19	1	322.409	1.073	2	4	6	COc1cc(NC(=O)N(C)CCN2CC[NH2+]CC2)cc(OC)c1
365627017	ZINC000623057634	ref	2.72	-60.3	1	301.35	1.938	2	4	2	C[C@@H]1CN(C(=O)Nc2ccc(-c3ncon3)cc2)CC[C@H]1[NH3+]
342600391	ZINC000590850313	low	7.39	-38.78	1	292.383	1.799	1	3	4	O=C(NCC[C@@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
185091443	ZINC000096081397	mid	5.7	-39.02	1	289.423	1.79	1	3	5	COCC[N@H+]1CC[C@@H]2CN(Cc3cccc(C)n3)C[C@@H]2C1
214179383	ZINC000337606552	ref	-0.13	-12.04	0	261.203	0.704	2	3	3	C[C@@H](NC(=O)c1ccncc1C(F)(F)F)C(N)=O
214179388	ZINC000337609042	ref	4.91	-11.06	0	292.383	2.19	2	4	7	Cc1noc(CCCNC(=O)NCC2(C3CC3)CCC2)n1
349533762	ZINC000621226424	mid	5.72	-11.18	0	277.29	2.437	2	2	6	CC(C)(CNC(=O)CCc1cnc[nH]1)CC(F)(F)F
349533765	ZINC000621226424	low	6.23	-40.88	1	277.29	2.437	2	1	6	CC(C)(CNC(=O)CCc1c[nH+]c[nH]1)CC(F)(F)F
178296707	ZINC000082791418	mid	10.71	-76.15	0	297.354	2.822	1	3	5	O=C([O-])c1ccc2c(c1)C[N@H+](CCOc1ccccc1)CC2
178296708	ZINC000082791418	high	8.4	-54.24	-1	297.354	2.822	0	4	5	O=C([O-])c1ccc2c(c1)CN(CCOc1ccccc1)CC2
342085759	ZINC000625358524	ref	5.31	-19.51	0	290.363	1.399	1	3	6	CCOCCN(CC)C(=O)[C@H]1CNC(=O)c2ccccc21
342085760	ZINC000625358588	ref	6.29	-11.48	0	257.374	1.931	0	3	6	CCOCCN(CC)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C
300266615	ZINC000335570298	ref	2.56	-3.4	0	255.28	1.799	1	3	2	C[C@H]1CN(C[C@@](C)(O)C(F)(F)F)CC(C)(C)O1
342085761	ZINC000625357810	ref	7.04	-4.29	0	278.396	1.963	1	2	5	C=C(C)CN(CC)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
342085762	ZINC000625358250	ref	5.05	-33.9	1	257.374	1.275	2	3	7	CCO[C@@H](C[N@H+](C)CC1(O)CCOCC1)C1CC1
178296716	ZINC000082791540	ref	4.26	-52.75	1	256.143	3.01	1	1	0	CC1(C)C[C@@H]([NH3+])c2cccc(Br)c2O1
168365553	ZINC000368508466	ref	7.6	-13.65	0	343.77	3.444	1	5	3	O=C(Nc1ccc(-n2ccnc2)c(Cl)c1)c1occ2c1CCOC2
178296717	ZINC000082791540	high	3.93	-5.31	0	256.143	3.01	1	2	0	CC1(C)C[C@@H](N)c2cccc(Br)c2O1
168365554	ZINC000368508466	low	7.86	-36.37	1	343.77	3.444	1	4	3	O=C(Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)c1occ2c1CCOC2
168365556	ZINC000368501540	ref	6.37	-17.71	0	337.354	3.337	2	3	2	O=C(c1ccc(O)cc1F)N1CC=C(c2cc3cccnc3[nH]2)CC1
342085763	ZINC000625358250	mid	5.24	-34.89	1	257.374	1.275	2	3	7	CCO[C@@H](C[N@@H+](C)CC1(O)CCOCC1)C1CC1
342085764	ZINC000625357726	ref	7.8	-38.8	1	288.395	1.918	1	3	3	O=C(c1cnn(C2CC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1
178296719	ZINC000082792106	ref	6.09	-6.33	0	298.18	2.289	0	3	2	COC(=O)CN1CCc2c(Br)cc(C)cc2C1
342085765	ZINC000625357726	high	5.39	-9.58	0	288.395	1.918	0	4	3	O=C(c1cnn(C2CC2)c1)N1CCC[C@H](N2CCCC2)C1
342085766	ZINC000625358753	ref	3.97	-38.92	1	256.39	1.384	3	2	4	C[N@H+](CC(=O)NCC(C)(C)C)[C@@H]1CC[C@@H](O)CC1
342085767	ZINC000625358753	mid	3.97	-39.18	1	256.39	1.384	3	2	4	C[N@@H+](CC(=O)NCC(C)(C)C)[C@@H]1CC[C@@H](O)CC1
342085768	ZINC000625358753	high	1.58	-7.82	0	256.39	1.384	2	3	4	CN(CC(=O)NCC(C)(C)C)[C@@H]1CC[C@@H](O)CC1
349533770	ZINC000621226424	low	6.21	-40.87	1	277.29	2.437	2	1	6	CC(C)(CNC(=O)CCc1c[nH]c[nH+]1)CC(F)(F)F
349533777	ZINC000621225880	ref	4.88	-10.07	0	277.29	2.437	2	2	6	CC(C)(CNC(=O)CCc1ncc[nH]1)CC(F)(F)F
342600392	ZINC000616998992	ref	5.28	-18.34	0	271.328	1.575	2	6	5	CC[C@H](C)c1nnc([C@H](C)Nc2ccc(C#N)nn2)[nH]1
365627002	ZINC000617394404	ref	2.23	-5.73	0	257.33	0.411	1	4	4	COC[C@](C)(O)C(=O)N1CCO[C@](C)(C2CC2)C1
365627015	ZINC000617395575	ref	6.44	-12.52	0	264.329	0.765	1	4	4	C[C@@]1(C2CC2)CN(C(=O)CCc2nnc[nH]2)CCO1
230742313	ZINC000414361866	ref	5.98	-9.49	0	321.808	3.33	1	5	8	CCc1ncc(CNc2cccc(Cl)c2OCCOC)cn1
365627020	ZINC000617395575	mid	6.05	-11.87	0	264.329	0.765	1	4	4	C[C@@]1(C2CC2)CN(C(=O)CCc2nc[nH]n2)CCO1
365627027	ZINC000617396580	ref	3.71	-9.54	0	268.357	0.345	0	4	2	CN1CCO[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365627031	ZINC000617396580	mid	5.97	-41.53	1	268.357	0.345	1	3	2	C[N@@H+]1CCO[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
342600393	ZINC000616998992	mid	4.78	-11.93	0	271.328	1.575	2	6	5	CC[C@H](C)c1nc([C@H](C)Nc2ccc(C#N)nn2)n[nH]1
178296715	ZINC000237093556	ref	6.06	-50.58	1	373.478	1.806	1	3	4	C[NH2+]C[C@H]1CCCN(C(=O)CN2c3cccc4cccc(c34)S2(=O)=O)C1
178296718	ZINC000237092065	ref	4.45	-52.54	1	358.847	1.688	2	4	4	COC(=O)c1cc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)ccc1Cl
214179386	ZINC000278478138	ref	3.04	-26.62	0	322.361	1.454	2	5	6	COc1ccc(NC(=O)[C@H]2CC[C@@H](C(N)=O)O2)cc1OC(C)C
178296721	ZINC000237084377	ref	0.77	-72.21	1	360.501	1.276	2	4	6	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1
178296725	ZINC000237085213	ref	6.77	-81.42	2	372.513	1.641	3	3	6	C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
192340053	ZINC000421439750	ref	4.61	-10.2	0	233.258	1.667	0	2	1	C[C@H]1CO[C@H](C)CN1C(=O)[C@@]1(C)CC1(F)F
342600394	ZINC000616998672	ref	7.05	-38.97	1	263.385	1.875	2	2	3	Cn1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1
342600395	ZINC000616998672	mid	7.0	-38.52	1	263.385	1.875	2	2	3	Cn1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1
365627034	ZINC000617396580	mid	6.14	-49.54	1	268.357	0.345	1	3	2	C[N@H+]1CCO[C@@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365627036	ZINC000617394927	ref	3.37	-13.65	0	291.351	0.765	1	4	3	Cn1cc(C(N)=O)cc1C(=O)N1CCO[C@](C)(C2CC2)C1
168365555	ZINC000054857948	ref	4.48	-44.78	1	180.255	0.432	1	3	3	C[C@@H]([NH3+])Cc1cnc(N(C)C)nc1
168365562	ZINC000034273809	ref	-5.33	-45.87	1	105.137	-1.313	3	2	2	C[C@@H]([NH3+])[C@@H](O)CO
168365564	ZINC000307151938	ref	0.77	-50.08	1	193.25	0.547	2	2	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccnc1
168365566	ZINC000082844591	ref	-1.24	-41.78	1	155.201	-0.199	2	3	2	C[C@@H]([NH3+])[C@@H](O)c1ccn(C)n1
168365569	ZINC000020216882	ref	0.93	-47.21	1	169.199	1.206	2	1	2	C[C@@H]([NH3+])[C@@H](O)c1ccc(F)cc1
282121105	ZINC000113458021	high	4.33	-75.61	0	343.424	1.221	1	3	5	C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(F)c([N-]S(C)(=O)=O)c2)C1
342085769	ZINC000625357781	ref	4.13	-31.42	1	270.417	1.19	2	3	7	CCO[C@@H](C[N@@H+]1CCN(CCO)C(C)(C)C1)C1CC1
342085770	ZINC000625357781	mid	3.69	-33.02	1	270.417	1.19	2	3	7	CCO[C@@H](C[N@H+]1CCN(CCO)C(C)(C)C1)C1CC1
342085771	ZINC000625357781	high	1.79	-3.61	0	270.417	1.19	1	4	7	CCO[C@@H](CN1CCN(CCO)C(C)(C)C1)C1CC1
342085772	ZINC000625357797	ref	5.05	-5.82	0	284.4	1.42	1	3	7	C=C(C)CN(CC)C(=O)C(=O)N(C)CC(O)(CC)CC
365627003	ZINC000625049929	ref	5.71	-11.3	0	310.442	2.068	1	6	7	CCOCc1nnc(N2CC[C@@H](CO)C[C@H]2C)n1CC(C)C
349533764	ZINC000618811322	mid	8.03	-39.74	1	255.358	1.829	1	3	3	CC1(C[N@@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1
365627016	ZINC000625045615	ref	3.75	-11.37	0	318.464	2.247	1	5	8	CCO[C@@H](CS(=O)(=O)N[C@@H](C)c1ncc(C)s1)C1CC1
342085773	ZINC000625358877	ref	6.21	-13.61	0	259.737	1.572	0	4	6	CCOCCN(CC)C(=O)c1nn(C)cc1Cl
342085774	ZINC000625360810	ref	3.6	-37.0	1	257.374	1.417	2	3	5	C[N@H+](CCOC1CCOCC1)[C@@H]1CC[C@@H](O)CC1
342085775	ZINC000625360810	mid	3.91	-37.15	1	257.374	1.417	2	3	5	C[N@@H+](CCOC1CCOCC1)[C@@H]1CC[C@@H](O)CC1
342085776	ZINC000625358933	ref	5.45	-39.07	1	297.37	1.986	2	3	6	CO[C@H](C[N@H+](C)CC1(O)CCOCC1)c1ccc(F)cc1
342085777	ZINC000625358933	mid	5.6	-39.9	1	297.37	1.986	2	3	6	CO[C@H](C[N@@H+](C)CC1(O)CCOCC1)c1ccc(F)cc1
290623328	ZINC000492529691	ref	7.82	-13.0	0	298.39	2.361	1	4	6	Cc1ccc(/C=C/C(=O)NC[C@@H](C)Cn2ccnc2C)nc1
290623329	ZINC000492529691	mid	8.3	-35.88	1	298.39	2.361	1	3	6	Cc1ccc(/C=C/C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)nc1
342085778	ZINC000625358933	high	4.66	-4.4	0	297.37	1.986	1	4	6	CO[C@H](CN(C)CC1(O)CCOCC1)c1ccc(F)cc1
190492707	ZINC000269415094	ref	7.04	-8.42	0	288.391	3.124	1	2	6	C=CCC[C@@H](NC(=O)N1CC[C@H](OC)C1)c1ccccc1
214179389	ZINC000293487990	ref	3.05	-6.21	0	373.501	0.089	2	4	5	CC[NH+]1CCN(CCNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1
178296746	ZINC000082791789	ref	6.18	-7.21	0	253.729	2.26	0	3	2	COC(=O)[C@H](C)N1CCc2ccc(Cl)cc2C1
349533768	ZINC000618811322	mid	8.5	-39.95	1	255.358	1.829	1	3	3	CC1(C[N@H+]2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1
306234562	ZINC000557847037	ref	2.2	-11.06	0	335.351	1.641	1	4	5	O=S(=O)(NCCN1CC=CCC1)c1cccnc1C(F)(F)F
214179393	ZINC000293487990	high	3.05	-6.21	0	373.501	0.089	1	5	5	CCN1CCN(CCNC(=O)C(=O)N2CCN(c3ccccc3)CC2)CC1
197600600	ZINC000290117053	ref	11.27	-12.5	0	286.379	2.425	0	5	5	C[C@H]1CCCN1c1nnc(CCOc2ccccc2)n1C
365627009	ZINC000576576992	mid	2.92	-7.27	0	240.347	2.437	2	4	7	CCC(CC)c1cc(CN[C@H](C)[C@@H](C)O)on1
398247609	ZINC000650868487	ref	1.38	-13.1	0	294.351	1.244	3	4	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@@H](C)c1cccc(O)c1
342085779	ZINC000625357774	ref	6.44	-10.65	0	296.411	1.686	0	3	6	C=C(C)CN(CC)C(=O)C(=O)N1CCC(CCOC)CC1
214179390	ZINC000278477803	ref	10.39	-17.44	0	316.445	2.773	1	2	8	CC(=O)N[C@H](CC1CCC1)C(=O)N(C)CCCc1ccccc1
214179394	ZINC000278477454	ref	1.77	-52.69	-1	312.351	1.24	1	6	5	COc1n[nH]c([N-]S(=O)(=O)c2c(C)cc(C)cc2OC)n1
192340055	ZINC000421441181	ref	6.68	-9.4	0	245.322	2.673	1	2	4	COc1cccc([C@@H](C)NC(=O)[C@H]2CC23CC3)c1
185091444	ZINC000096081397	mid	7.92	-102.18	2	289.423	1.79	2	2	5	COCC[N@@H+]1CC[C@@H]2C[NH+](Cc3cccc(C)n3)C[C@@H]2C1
178296728	ZINC000237085213	mid	4.41	-43.7	1	372.513	1.641	2	4	6	CN1CCN(CCOc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178296730	ZINC000237085213	mid	6.71	-82.49	2	372.513	1.641	3	3	6	CN1CC[NH+](CCOc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178296732	ZINC000237084371	ref	6.71	-41.33	1	371.481	1.815	2	3	6	COc1ccccc1/C=C/C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
192340058	ZINC000421444359	ref	9.54	-9.7	0	243.35	3.456	0	1	2	Cc1cc(C)cc(N(C)C(=O)[C@@]23CCC[C@@H]2C3)c1
342085780	ZINC000625358269	ref	2.24	-33.17	1	281.356	1.31	1	6	6	OCCN(Cc1noc(C2CCC2)n1)C1CCOCC1
342085781	ZINC000625358269	low	1.73	-32.49	1	281.356	1.31	2	5	6	OCC[N@H+](Cc1noc(C2CCC2)n1)C1CCOCC1
342085782	ZINC000625358269	low	2.24	-33.17	1	281.356	1.31	2	5	6	OCC[N@@H+](Cc1noc(C2CCC2)n1)C1CCOCC1
342085783	ZINC000625358655	ref	7.3	-4.42	0	278.396	1.963	1	2	5	C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CC[C@H]2C[C@H]2C1
342085784	ZINC000625357313	ref	4.9	-5.78	0	296.411	1.424	1	3	3	C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)NCC[C@@H]2CCCOC2)C1
342085785	ZINC000625358382	ref	1.35	-6.8	0	285.359	1.577	3	3	8	CO[C@H](C[N@H+](C[C@@H](C)O)[C@@H](C)CO)c1ccc(F)cc1
342085786	ZINC000625358382	mid	3.14	-36.16	1	285.359	1.577	3	3	8	CO[C@H](C[N@@H+](C[C@@H](C)O)[C@@H](C)CO)c1ccc(F)cc1
342085787	ZINC000625358382	high	1.35	-6.8	0	285.359	1.577	2	4	8	CO[C@H](CN(C[C@@H](C)O)[C@@H](C)CO)c1ccc(F)cc1
342085788	ZINC000625358091	ref	5.79	-4.72	0	250.342	1.493	1	2	5	C=C(C)CN(CC)C(=O)C(=O)NCC1CC=CC1
192340056	ZINC000081925531	ref	9.63	-13.49	0	303.391	1.63	0	6	2	CC1(C)CN(C(=O)c2ccnc(-n3cncn3)c2)CCS1
199273323	ZINC000181262672	ref	5.29	-21.87	0	318.377	0.253	2	6	7	C[C@@H](O)C[C@@H](CNC(=O)Cn1ncn(C)c1=O)c1ccccc1
365627018	ZINC000576576745	ref	7.26	-38.14	1	223.36	2.721	1	1	3	C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]2C2CCC2)C[C@@H](C)O1
178296735	ZINC000237090323	ref	5.57	-55.58	1	357.414	1.858	2	6	4	COC(=O)c1cc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)ccc1C
178296737	ZINC000237086189	ref	9.24	-45.51	1	365.481	1.838	2	4	4	CCc1cc(N2CCC(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)ncn1
178296741	ZINC000237086189	mid	7.87	-10.65	0	365.481	1.838	2	5	4	CCc1cc(N2CCC(NC(=O)[C@@H]3Cc4ccccc4CN3)CC2)ncn1
178296744	ZINC000237093746	ref	5.9	-53.72	1	369.469	1.625	2	3	3	CN(C(=O)[C@H]1CCCN(C(=O)c2ccc3n[nH]cc3c2)C1)C1CC[NH2+]CC1
192340060	ZINC000081923254	ref	3.24	-43.52	1	313.419	1.626	1	4	6	CCC[NH2+][C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(OC)cc1
178296748	ZINC000237094046	ref	5.34	-63.68	1	353.422	1.659	2	3	6	COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](C[NH3+])c2ccccc2)C1=O
178296750	ZINC000237094046	high	4.99	-22.1	0	353.422	1.659	2	4	6	COc1ccccc1N1CC[C@@H](NC(=O)[C@@H](CN)c2ccccc2)C1=O
178296752	ZINC000237093684	ref	5.79	-44.96	1	354.248	1.764	2	2	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1CC[NH2+]C1
178296756	ZINC000237094399	ref	2.8	-51.68	1	363.277	1.878	1	3	4	COc1cc(C)c(Br)cc1S(=O)(=O)N1CCC[C@@H]1C[NH3+]
178296758	ZINC000237081952	ref	7.76	-56.11	1	351.52	1.775	1	5	5	CCc1nsc(N2CCN(C(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)CC2)n1
398247610	ZINC000649444816	ref	8.19	-7.95	0	244.338	2.623	0	3	2	O=c1cc2c(nn1CC1=CCCCC1)CCCC2
199273325	ZINC000181263716	ref	4.74	-12.46	0	311.325	2.036	0	3	7	COCCN(CC(F)F)S(=O)(=O)c1cccc(C)c1F
365627032	ZINC000576575889	ref	7.47	-45.36	1	230.311	2.551	1	2	3	COc1cc(C[N@@H+]2CCC2(C)C)ccc1C#N
365627039	ZINC000576575889	mid	7.47	-45.32	1	230.311	2.551	1	2	3	COc1cc(C[N@H+]2CCC2(C)C)ccc1C#N
178296761	ZINC000237084402	ref	4.6	-44.83	1	361.467	1.123	2	3	7	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1
192340063	ZINC000081923254	high	2.1	-10.4	0	313.419	1.626	1	5	6	CCCN[C@H]1CCOC[C@@H]1S(=O)(=O)c1ccc(OC)cc1
398247613	ZINC000649442264	ref	7.61	-7.81	0	230.311	3.184	0	3	4	CCCOc1ccccc1-c1cn(C)nc1C
168365821	ZINC000041053765	ref	2.68	-93.87	2	185.315	0.36	2	1	2	C[C@@H]([NH3+])[C@@H](C)N1CCC[N@H+](C)CC1
306234563	ZINC000557847037	low	4.48	-46.89	1	335.351	1.641	2	3	5	O=S(=O)(NCC[N@H+]1CC=CCC1)c1cccnc1C(F)(F)F
365627023	ZINC000625045615	high	3.49	-45.29	-1	318.464	2.247	0	5	8	CCO[C@@H](CS(=O)(=O)[N-][C@@H](C)c1ncc(C)s1)C1CC1
365627028	ZINC000625045112	ref	8.83	-38.31	1	309.498	2.443	1	2	8	CCC[C@H](C)CCC[NH+]1CCN(CC(=O)N2CCCC2)CC1
306234564	ZINC000557847037	low	4.47	-46.83	1	335.351	1.641	2	3	5	O=S(=O)(NCC[N@@H+]1CC=CCC1)c1cccnc1C(F)(F)F
214179391	ZINC000053371740	ref	8.74	-49.23	1	345.443	2.325	2	4	7	CCOc1cc(C#N)ccc1OCC(=O)NC1CC[NH+](C(C)C)CC1
214179396	ZINC000053357512	ref	8.8	-14.92	0	334.42	3.084	2	4	6	O=C(CSc1nc[nH]n1)N[C@H](c1ccc(F)cc1)C1CCCC1
192340062	ZINC000421440794	ref	6.19	-9.74	0	211.305	1.527	0	2	4	COCCN(C)C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
192340066	ZINC000421441845	ref	2.94	-10.36	0	207.22	1.184	1	2	5	CCOCCNC(=O)[C@@]1(C)CC1(F)F
192340070	ZINC000421444072	ref	7.56	-8.95	0	245.322	3.132	1	2	4	CCOc1ccc(NC(=O)[C@@H]2CC23CC3)c(C)c1
192340073	ZINC000421440960	ref	9.48	-9.42	0	247.313	2.627	0	1	4	CN(CCc1ccc(F)cc1)C(=O)[C@H]1CC12CC2
192340075	ZINC000421440134	ref	8.67	-10.63	0	239.315	1.588	0	3	6	CCCN(CC(=O)OCC)C(=O)[C@H]1CC12CC2
342085789	ZINC000625357312	ref	4.66	-5.74	0	296.411	1.424	1	3	3	C[C@H]1C[C@@H](C)CN(C(=O)C(=O)NCC[C@H]2CCCOC2)C1
192340078	ZINC000421442514	ref	7.47	-7.89	0	245.322	3.132	1	2	4	CCOc1cc(C)ccc1NC(=O)[C@H]1CC12CC2
214179399	ZINC000053363977	ref	11.32	-41.16	1	335.839	2.837	2	4	7	CC(C)CC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1
192340082	ZINC000421442226	ref	7.17	-6.77	0	219.328	2.649	1	1	3	O=C(NC[C@@H]1CC=CCC1)[C@]12CCC[C@H]1C2
192340085	ZINC000421441024	ref	7.32	-8.44	0	233.233	2.363	0	1	4	C=CCN(CC(F)(F)F)C(=O)[C@H]1CC12CC2
342085790	ZINC000625357782	ref	3.89	-31.07	1	270.417	1.19	2	3	7	CCO[C@H](C[N@@H+]1CCN(CCO)C(C)(C)C1)C1CC1
178305704	ZINC000019266916	low	8.33	-102.83	2	245.37	3.027	1	1	2	Cc1cc2[nH+]cn(C[C@H]([NH3+])C(C)(C)C)c2cc1C
192340087	ZINC000421439178	ref	8.5	-7.26	0	241.334	2.849	1	1	3	O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@]12CCC[C@H]1C2
342085791	ZINC000625357782	mid	3.5	-33.15	1	270.417	1.19	2	3	7	CCO[C@H](C[N@H+]1CCN(CCO)C(C)(C)C1)C1CC1
342085792	ZINC000625357782	high	2.31	-3.83	0	270.417	1.19	1	4	7	CCO[C@H](CN1CCN(CCO)C(C)(C)C1)C1CC1
342085793	ZINC000625358367	ref	5.55	-13.24	0	283.372	1.418	0	5	10	CCOCCN(CC)C(=O)c1cnn(CCCOC)c1
342085794	ZINC000625358110	ref	2.23	-5.46	0	270.417	1.63	3	2	4	C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCC(C)(C)C
290623330	ZINC000492529125	ref	5.59	-12.54	0	260.337	2.041	0	3	3	CO[C@H]1CCCN(C(=O)/C=C\c2cnccc2C)C1
365627024	ZINC000274332871	ref	5.88	-47.24	1	259.353	1.47	1	2	2	CCc1ccnc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1
365627047	ZINC000274332132	ref	4.5	-16.5	0	290.319	1.234	2	4	3	COC(=O)C1(C(=O)N[C@@H]2CCCc3[nH]c(=O)ccc32)CC1
342600396	ZINC000590850314	ref	6.63	-15.43	0	292.383	1.799	1	4	4	O=C(NCC[C@H]1CCCO1)N1CCC[C@H](n2ccnc2)C1
342600397	ZINC000590850314	low	7.33	-38.38	1	292.383	1.799	1	3	4	O=C(NCC[C@H]1CCCO1)N1CCC[C@H](n2cc[nH+]c2)C1
342600398	ZINC000590851103	ref	7.79	-20.22	0	288.351	1.964	1	4	6	COCCN(CCC#N)C(=O)Nc1ccc2c(n1)CCC2
342600399	ZINC000616999327	ref	5.89	-44.3	1	278.4	1.199	2	3	4	Cn1ccc(CC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)n1
342600400	ZINC000616999327	mid	5.84	-43.89	1	278.4	1.199	2	3	4	Cn1ccc(CC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)n1
398247611	ZINC000651455164	ref	7.58	-7.39	0	288.366	3.447	2	1	3	O=C(NC1CC2(CCC2)C1)NC1(c2ccccc2F)CC1
342600401	ZINC000616999051	ref	-0.01	-44.54	-1	270.651	1.233	2	3	3	O=C(NCc1c(F)cccc1Cl)c1n[nH]c(=O)[n-]1
342600402	ZINC000590850315	ref	6.66	-15.5	0	292.383	1.799	1	4	4	O=C(NCC[C@H]1CCCO1)N1CCC[C@@H](n2ccnc2)C1
342600403	ZINC000590850315	low	7.37	-38.19	1	292.383	1.799	1	3	4	O=C(NCC[C@H]1CCCO1)N1CCC[C@@H](n2cc[nH+]c2)C1
365627056	ZINC000274332763	ref	2.51	-20.35	0	298.408	1.562	1	4	5	COc1cc(C)nc(C[S@@](=O)CC(=O)NC(C)(C)C)c1
230742343	ZINC000414361130	ref	6.28	-6.28	0	305.809	3.381	1	4	7	CCOc1cc(Cl)ccc1CNCc1cnc(CC)nc1
230742346	ZINC000414361130	mid	7.64	-49.62	1	305.809	3.381	1	3	7	CCOc1cc(Cl)ccc1C[NH2+]Cc1cnc(CC)nc1
365627065	ZINC000274334777	ref	3.3	-16.76	0	295.314	1.525	3	3	5	NC(=O)[C@H](NC(=O)NOC1CCCC1)c1ccc(F)cc1
197600639	ZINC000162916888	ref	4.67	-14.77	0	324.446	1.751	1	4	3	Cc1cccc(C)c1NCC(=O)N1CCS(=O)(=O)C(C)(C)C1
342600404	ZINC000616998934	ref	5.06	-50.84	1	291.395	1.946	3	2	3	Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
365627075	ZINC000274332745	ref	5.45	-16.24	0	281.308	1.062	1	5	7	COCC(=O)N[C@@H](C)c1ccc(OCC(=O)OC)cc1
197600644	ZINC000162916322	ref	9.98	-18.4	0	319.328	2.358	1	8	4	COc1ccc(Nc2ncnc3c2cnn3-c2ncccn2)cc1
365627085	ZINC000274334214	ref	6.59	-10.39	0	277.32	1.826	1	4	5	COC(=O)C1(C(=O)N[C@@H](C)c2ccccc2OC)CC1
342085795	ZINC000625358110	mid	5.42	-36.42	1	270.417	1.63	3	2	4	C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CC(=O)NCC(C)(C)C
342085796	ZINC000625358110	mid	2.23	-5.46	0	270.417	1.63	2	3	4	C[C@H](O)[C@H]1C[C@H](C)CCN1CC(=O)NCC(C)(C)C
342085797	ZINC000625357273	ref	5.23	-10.78	0	280.368	1.05	0	3	2	C/C=C\C[C@H]1CCCN(C(=O)C(=O)N2CCOCC2)C1
342085798	ZINC000625357314	ref	4.9	-5.76	0	296.411	1.424	1	3	3	C[C@@H]1C[C@@H](C)CN(C(=O)C(=O)NCC[C@H]2CCCOC2)C1
178296755	ZINC000082791960	ref	5.42	-6.6	0	284.153	1.98	0	3	2	COC(=O)CN1CCc2cccc(Br)c2C1
342085799	ZINC000625357738	ref	7.26	-44.25	1	276.327	1.355	1	2	5	O=C(COCC(F)F)N1CCC[C@H]([NH+]2CCCC2)C1
342085800	ZINC000625358361	ref	4.32	-8.13	0	296.411	1.47	2	3	8	CCCCN(CCO)C(=O)C(=O)NCC[C@@H]1CC=CCC1
342085801	ZINC000625358280	ref	8.96	-38.92	1	280.412	1.888	1	2	5	CCO[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC1
342085802	ZINC000625358280	high	6.55	-10.78	0	280.412	1.888	0	3	5	CCO[C@H](C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC1
192340065	ZINC000081927784	ref	7.84	-8.51	0	323.458	3.07	0	4	6	COCCCOc1ccc(C(=O)N2CCSC(C)(C)C2)cc1
342085803	ZINC000625358512	ref	0.86	-5.24	0	265.357	1.875	0	5	3	COc1cncc(CN2CC(C)(C)OC(C)(C)C2)n1
342085804	ZINC000625358512	low	3.95	-39.88	1	265.357	1.875	1	4	3	COc1cncc(C[NH+]2CC(C)(C)OC(C)(C)C2)n1
342085805	ZINC000625358227	ref	6.79	-37.94	1	266.385	1.498	1	2	3	COC1CC(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)C1
342085806	ZINC000625358632	ref	3.18	-5.44	0	284.4	1.326	2	3	9	C=CC(C)(C)CCNC(=O)C(=O)N(CCO)CCCC
192340068	ZINC000081925889	ref	3.76	-46.68	1	301.408	1.789	1	4	8	CC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1
192340071	ZINC000081925889	mid	2.82	-14.08	0	301.408	1.789	1	5	8	CCN[C@@H](CS(=O)(=O)CC)c1ccc(OC)c(OC)c1
192340074	ZINC000081923119	ref	4.18	-45.51	1	303.383	2.094	1	3	3	COc1ccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1
192340076	ZINC000081923119	mid	3.84	-10.89	0	303.383	2.094	1	4	3	COc1ccc(S(=O)(=O)[C@@H]2Cc3ccccc3[C@@H]2N)cc1
192340080	ZINC000081922749	ref	3.23	-40.39	1	324.229	2.144	1	3	3	C[NH2+][C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl
192340081	ZINC000081922749	high	2.0	-7.75	0	324.229	2.144	1	4	3	CN[C@@H]1CCOC[C@H]1S(=O)(=O)c1cc(Cl)ccc1Cl
192340084	ZINC000081925739	ref	8.28	-9.3	0	323.458	2.99	0	4	5	COc1ccc(OC)c(CCC(=O)N2CCSC(C)(C)C2)c1
192340088	ZINC000081926494	ref	7.8	-8.92	0	320.458	2.387	1	3	3	Cc1ccc(C(=O)NCC(=O)N2CCSC(C)(C)C2)cc1C
342600405	ZINC000616998934	mid	5.01	-50.29	1	291.395	1.946	3	2	3	Cc1cc(=O)[nH]cc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
342600406	ZINC000616998949	ref	3.43	-46.74	1	298.431	1.06	4	2	6	CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
342600407	ZINC000616998949	mid	3.36	-46.38	1	298.431	1.06	4	2	6	CCC[C@@H](NC(N)=O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
178296763	ZINC000237084402	high	4.22	-17.16	0	361.467	1.123	2	4	7	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H](N)Cc1ccccc1
178296764	ZINC000237084345	ref	3.73	-67.97	1	361.467	1.296	2	3	7	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H](C[NH3+])c1ccccc1
342600408	ZINC000616998712	ref	5.07	-39.9	1	270.417	1.774	3	2	6	CCC[C@@H](O)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342600409	ZINC000616998712	mid	5.07	-40.58	1	270.417	1.774	3	2	6	CCC[C@@H](O)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600410	ZINC000590851071	ref	5.1	-20.91	0	293.392	1.555	1	3	1	C[C@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)CC[S@@]1=O
299072510	ZINC000567667283	ref	5.02	-38.32	1	282.428	2.168	1	2	4	CO[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2C)[C@@H](C[NH3+])C1
290623331	ZINC000492530207	ref	5.84	-13.69	0	267.328	2.304	1	2	3	O=C(/C=C\c1cccc2ccccc12)N1CC(CO)C1
349533766	ZINC000093228464	ref	2.72	-51.06	-1	293.728	0.72	1	5	7	O=C([O-])COCCNS(=O)(=O)c1cccc(Cl)c1
214179401	ZINC000337610643	ref	2.65	-11.41	0	269.345	0.764	1	5	9	CCCn1cc(C(=O)N(CC)CCOCCO)cn1
342600411	ZINC000590851070	ref	5.1	-20.26	0	293.392	1.555	1	3	1	C[C@@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)CC[S@]1=O
365627033	ZINC000641593280	low	6.63	-44.43	1	296.436	1.851	1	2	3	Cc1cccc(CS(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c1
349533772	ZINC000093232447	ref	0.98	-45.39	1	250.346	0.179	1	4	6	[NH3+]CCOCCN1CCN(c2ccccn2)CC1
300266622	ZINC000335570298	mid	4.04	-38.57	1	255.28	1.799	2	2	2	C[C@H]1C[N@H+](C[C@@](C)(O)C(F)(F)F)CC(C)(C)O1
365627035	ZINC000641594085	ref	3.49	-15.8	0	274.324	1.237	2	5	3	C[C@H]1COCC[C@H]1CNc1ccc2nc[nH]c(=O)c2n1
178296766	ZINC000237084345	high	3.15	-15.06	0	361.467	1.296	2	4	7	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@H](CN)c1ccccc1
197600635	ZINC000290115443	ref	4.79	-9.26	0	281.377	1.977	1	4	3	C[C@H](NC(=O)[C@@H]1OC[C@@H]2COCC[C@H]21)c1cccs1
282123589	ZINC000533473757	ref	3.83	-9.43	0	285.347	1.863	1	4	2	C[C@@H](O)[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1
342600412	ZINC000590850347	ref	4.89	-42.32	1	283.416	1.587	3	2	6	C[NH+]1CCC(CCNC(=O)NCC[C@@H]2CCCO2)CC1
342600413	ZINC000616998948	ref	3.43	-44.96	1	298.431	1.06	4	2	6	CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
349533767	ZINC000162006248	ref	-0.25	-94.71	2	243.351	-0.459	3	2	5	CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1
282121108	ZINC000151615267	ref	5.87	-12.53	0	318.417	2.221	2	3	9	CC(C)c1ccccc1OCCC(=O)NCCNC(=O)C1CC1
349533773	ZINC000602430096	ref	2.88	-11.09	0	248.33	2.455	0	5	5	Cc1nc([C@@H]2CCCN2C[C@H](C)CCC#N)no1
365627037	ZINC000617395085	ref	3.39	-14.24	0	289.397	0.695	0	4	4	C[C@@H](CS(C)(=O)=O)C(=O)N1CCO[C@](C)(C2CC2)C1
365627043	ZINC000617396245	ref	4.22	-5.82	0	280.368	0.93	1	3	3	CNC(=O)C1(C(=O)N2CCO[C@](C)(C3CC3)C2)CCC1
342085807	ZINC000625358590	ref	6.14	-8.32	0	257.374	1.931	0	3	6	CCOCCN(CC)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C
178296768	ZINC000237096219	ref	7.43	-48.38	1	361.486	1.338	2	3	9	CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCC[NH2+]CCOC
178296771	ZINC000237096219	high	6.02	-17.0	0	361.486	1.338	2	4	9	CC[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCCNCCOC
349533779	ZINC000602430096	mid	6.07	-41.46	1	248.33	2.455	1	4	5	Cc1nc([C@@H]2CCC[N@H+]2C[C@H](C)CCC#N)no1
349533784	ZINC000602430096	mid	5.9	-39.48	1	248.33	2.455	1	4	5	Cc1nc([C@@H]2CCC[N@@H+]2C[C@H](C)CCC#N)no1
178296773	ZINC000237088343	ref	3.32	-58.61	1	358.46	1.814	2	5	7	CCc1oc(C(=O)OC)cc1S(=O)(=O)N[C@H](C[NH3+])C1CCCCC1
178296778	ZINC000237091528	ref	2.64	-52.53	1	351.428	1.691	3	4	8	CC[NH2+]Cc1ccccc1NC(=O)c1ccc(CNS(C)(=O)=O)o1
349533790	ZINC000602428834	ref	3.98	-44.5	1	237.347	1.432	2	2	6	CCC(C#N)(CC)C(=O)NCC[C@H]1CC[NH2+]C1
178296784	ZINC000237082637	ref	3.58	-56.34	1	352.456	1.119	2	4	6	COCCS(=O)(=O)c1ccc(C(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
365627053	ZINC000617397619	ref	5.8	-37.45	1	295.427	0.651	1	3	4	CC[NH+]1CCN(CC(=O)N2CCO[C@@](C)(C3CC3)C2)CC1
230742360	ZINC000425576562	ref	4.16	-11.04	0	316.442	2.06	3	4	8	CC[C@H](CO)NC(=O)NC[C@H](CC(C)C)C(=O)OC(C)(C)C
178296787	ZINC000237092688	ref	2.54	-50.1	1	359.879	1.544	1	3	4	CN(C)S(=O)(=O)c1cc(C(=O)N2CCCC[C@@H]2C[NH3+])ccc1Cl
349533796	ZINC000162006333	ref	-0.35	-93.06	2	243.351	-0.459	3	2	5	CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1
178296790	ZINC000237096278	ref	4.42	-52.42	1	357.252	1.614	2	3	4	CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H]([NH3+])C(C)(C)C
178296792	ZINC000237096278	mid	4.08	-16.31	0	357.252	1.614	2	4	4	CN(CC(=O)Nc1ccc(Br)cn1)C(=O)[C@@H](N)C(C)(C)C
349533804	ZINC000602429128	ref	4.74	-44.57	1	233.315	0.939	2	2	3	N#CC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC2(CC2)C1
349533811	ZINC000602429265	ref	7.09	-45.38	1	246.354	2.421	2	2	8	C[C@@H](CCC#N)C[N@H+](CCO)Cc1ccccc1
222609412	ZINC000222562158	ref	9.86	-11.19	0	388.899	3.471	0	5	6	COCCN(Cc1cc(C)n(C)c1C)C(=O)c1ccc2nc(Cl)n(C)c2c1
349533769	ZINC000594967620	ref	8.29	-51.16	1	280.375	2.726	1	3	4	CC(C)([NH2+]Cc1cnn2c1CCC2)c1cccc(C#N)c1
349533774	ZINC000594967620	mid	7.2	-9.59	0	280.375	2.726	1	4	4	CC(C)(NCc1cnn2c1CCC2)c1cccc(C#N)c1
342085808	ZINC000625357727	ref	7.81	-42.85	1	288.395	1.918	1	3	3	O=C(c1cnn(C2CC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1
342085809	ZINC000625357727	high	5.4	-8.28	0	288.395	1.918	0	4	3	O=C(c1cnn(C2CC2)c1)N1CCC[C@@H](N2CCCC2)C1
342085810	ZINC000625357318	ref	6.81	-10.69	0	298.427	1.91	0	3	7	CCCN(CCC)C(=O)C(=O)N1CCC(CCOC)CC1
342085811	ZINC000625358656	ref	7.32	-4.46	0	278.396	1.963	1	2	5	C=C(C)CN(CC)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342085812	ZINC000625358378	ref	2.37	-4.53	0	285.359	1.577	3	3	8	CO[C@H](C[N@H+](C[C@@H](C)O)[C@H](C)CO)c1ccc(F)cc1
349533780	ZINC000594967486	ref	6.01	-42.04	1	257.443	2.844	1	1	3	CC1CCC([NH2+][C@@H]2CCC[C@@H]([S@](C)=O)C2)CC1
342085813	ZINC000625358378	mid	3.25	-37.44	1	285.359	1.577	3	3	8	CO[C@H](C[N@@H+](C[C@@H](C)O)[C@H](C)CO)c1ccc(F)cc1
178296783	ZINC000082791923	ref	6.29	-6.45	0	298.18	2.369	0	3	2	COC(=O)[C@H](C)N1CCc2cc(Br)ccc2C1
282121109	ZINC000248960534	mid	6.95	-49.03	1	301.456	1.684	3	3	4	CC(C)CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCS[C@@H](C)CC1
342085814	ZINC000625358378	high	2.37	-4.53	0	285.359	1.577	2	4	8	CO[C@H](CN(C[C@@H](C)O)[C@H](C)CO)c1ccc(F)cc1
342085815	ZINC000625357790	ref	1.31	-6.76	0	281.356	1.31	1	6	5	CN(Cc1noc(C2CCC2)n1)CC1(O)CCOCC1
342085816	ZINC000625357790	low	3.0	-34.75	1	281.356	1.31	2	5	5	C[N@H+](Cc1noc(C2CCC2)n1)CC1(O)CCOCC1
178296791	ZINC000082791415	ref	6.33	-76.7	0	290.363	1.075	1	4	4	O=C([O-])c1ccc2c(c1)C[N@@H+](CCN1CCOCC1)CC2
178296793	ZINC000082791415	mid	6.33	-76.56	0	290.363	1.075	1	4	4	O=C([O-])c1ccc2c(c1)C[N@H+](CCN1CCOCC1)CC2
178296794	ZINC000082791415	mid	4.04	-52.07	-1	290.363	1.075	0	5	4	O=C([O-])c1ccc2c(c1)CN(CCN1CCOCC1)CC2
342085817	ZINC000625357790	low	3.2	-34.59	1	281.356	1.31	2	5	5	C[N@@H+](Cc1noc(C2CCC2)n1)CC1(O)CCOCC1
342085818	ZINC000625358647	ref	2.9	-4.54	0	297.37	1.987	2	3	7	CO[C@@H](C[N@H+](CCO)C1CCOCC1)c1ccc(F)cc1
342085819	ZINC000625358647	mid	5.06	-38.85	1	297.37	1.987	2	3	7	CO[C@@H](C[N@@H+](CCO)C1CCOCC1)c1ccc(F)cc1
342085820	ZINC000625358647	high	2.9	-4.54	0	297.37	1.987	1	4	7	CO[C@@H](CN(CCO)C1CCOCC1)c1ccc(F)cc1
342600414	ZINC000616998948	mid	3.43	-46.0	1	298.431	1.06	4	2	6	CCC[C@@H](NC(N)=O)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342600415	ZINC000590850351	ref	4.87	-42.17	1	283.416	1.587	3	2	6	C[NH+]1CCC(CCNC(=O)NCC[C@H]2CCCO2)CC1
365627038	ZINC000625045112	mid	6.41	-7.89	0	309.498	2.443	0	3	8	CCC[C@H](C)CCCN1CCN(CC(=O)N2CCCC2)CC1
365627048	ZINC000625046118	ref	7.18	-19.77	0	319.449	2.36	1	2	2	CC1(C)CN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)[C@@H]2CCC[C@@H]21
342600416	ZINC000590849845	ref	4.32	-39.92	1	296.459	1.644	3	2	4	C[NH+]1CCN(C(C)(C)CNC(=O)NC2(C)CCCC2)CC1
342600417	ZINC000590849845	mid	4.12	-36.52	1	296.459	1.644	3	2	4	CN1CC[NH+](C(C)(C)CNC(=O)NC2(C)CCCC2)CC1
342600418	ZINC000590849845	mid	1.98	-6.28	0	296.459	1.644	2	3	4	CN1CCN(C(C)(C)CNC(=O)NC2(C)CCCC2)CC1
342600419	ZINC000590850813	ref	8.12	-20.29	0	288.355	1.126	1	5	4	O=C(NCCn1ccnc1)N1CCC[C@H](n2ccnc2)C1
342600420	ZINC000590850813	low	9.34	-80.14	2	288.355	1.126	1	3	4	O=C(NCCn1cc[nH+]c1)N1CCC[C@H](n2cc[nH+]c2)C1
297220860	ZINC000124828464	ref	5.25	-18.09	0	305.378	1.265	2	4	2	C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cccn(C)c2=O)[C@H](C)C1
197600653	ZINC000290114050	ref	7.53	-15.27	0	263.341	2.459	1	3	6	CCOCCN(C)C(=O)Nc1cc(C2CC2)ccn1
178296795	ZINC000053525709	ref	9.68	-45.6	1	242.366	3.338	1	1	5	Cc1cc2ccccc2n1CC[NH2+][C@@H](C)C1CC1
210256191	ZINC000265954616	ref	2.2	-18.41	0	355.46	0.951	2	4	7	COC[C@@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1
230742349	ZINC000450476225	ref	6.66	-11.25	0	303.366	1.423	0	7	9	CCOCCOCCN(C)c1nccc(-c2cnccn2)n1
365627057	ZINC000625049573	ref	6.64	-19.84	0	307.438	2.217	1	2	2	CC(C)(C)[C@H]1CCN(C(=O)N[C@@H]2CCN(C3CCC3)C2=O)C1
282121110	ZINC000449151149	low	7.57	-85.16	2	292.427	2.14	2	1	4	C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(c2c[nH]c[nH+]2)CC1
342600421	ZINC000590850813	low	8.64	-47.12	1	288.355	1.126	1	4	4	O=C(NCCn1cc[nH+]c1)N1CCC[C@H](n2ccnc2)C1
342600422	ZINC000616999146	ref	0.06	-43.16	-1	297.112	1.203	2	3	3	O=C(NCc1ccccc1Br)c1n[nH]c(=O)[n-]1
342600423	ZINC000616998830	ref	3.76	-41.33	1	286.441	1.091	3	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(O)CCSC2)C1
342600424	ZINC000616998830	mid	3.74	-40.76	1	286.441	1.091	3	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@]2(O)CCSC2)C1
365627066	ZINC000625049919	ref	6.83	-11.9	0	319.43	2.295	0	4	3	Cc1ncc(S(=O)(=O)N2CC[C@@H](c3ccccc3)[C@@H]2C)n1C
290623332	ZINC000361132184	low	3.26	-10.33	0	345.852	2.088	2	3	4	CNC(=O)c1cc(Cl)ccc1NS(=O)(=O)N1CCC(C)CC1
178296796	ZINC000237092402	ref	2.63	-62.53	1	359.879	1.401	1	3	4	CN(C)S(=O)(=O)c1cc(C(=O)N2CCC(C[NH3+])CC2)ccc1Cl
178296798	ZINC000237085948	ref	5.37	-49.38	1	359.451	1.559	1	3	4	C[NH2+]C[C@@H]1CCCN1C(=O)CN1c2cccc3cccc(c23)S1(=O)=O
178296801	ZINC000237094637	ref	3.03	-14.56	0	370.247	1.143	2	4	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1COCCN1
178296805	ZINC000237094637	low	4.27	-42.35	1	370.247	1.143	2	3	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1COCC[NH2+]1
178296807	ZINC000237091871	ref	6.96	-99.95	2	374.529	1.702	3	2	7	C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1
192340069	ZINC000273862565	ref	5.98	-12.47	0	296.33	2.334	0	5	2	CC(=O)N1CCC[C@@H](c2noc(-c3cccc(C#N)c3)n2)C1
192340072	ZINC000273864269	ref	8.04	-11.49	0	292.448	3.458	0	3	3	CC(C)(C)C(=O)N1CCC(CSc2ccncc2)CC1
178296814	ZINC000237093244	ref	4.01	-57.31	-1	368.377	1.856	1	5	8	Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCN(C)CC(F)(F)F
290623334	ZINC000281987329	ref	5.97	-17.44	0	324.384	1.92	3	3	3	CNC(=O)c1c(NC(=O)[C@H]2C[C@]23CCc2ccccc23)n[nH]c1C
178296816	ZINC000237094972	ref	5.34	-66.91	1	353.422	1.659	2	3	6	COc1ccccc1N1CC[C@@H](NC(=O)[C@H](C[NH3+])c2ccccc2)C1=O
178296818	ZINC000237094972	high	5.61	-20.41	0	353.422	1.659	2	4	6	COc1ccccc1N1CC[C@@H](NC(=O)[C@H](CN)c2ccccc2)C1=O
178296826	ZINC000237089389	ref	7.18	-82.13	2	356.514	1.44	3	2	5	C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178296828	ZINC000237089389	mid	7.06	-83.62	2	356.514	1.44	3	2	5	CN1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178296829	ZINC000237089389	high	4.81	-40.78	1	356.514	1.44	2	3	5	CN1CCN(Cc2ccc(CNC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1
178296832	ZINC000237094193	ref	2.75	-49.25	1	351.266	1.734	1	3	5	COc1cc(C)c(Br)cc1S(=O)(=O)N(C)[C@H](C)C[NH3+]
230742358	ZINC000450474803	ref	5.95	-12.81	0	320.414	1.572	1	5	5	CSCC[C@H](O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1
365627041	ZINC000641593598	ref	3.03	-15.99	0	296.392	1.283	1	4	6	O=S(=O)(C[C@@H]1CCCO1)NC[C@@H]1C[C@H]1c1cccnc1
178296834	ZINC000237084554	ref	0.23	-50.64	1	367.265	1.482	2	4	6	COc1cc(OC)c(S(=O)(=O)NCC(C)(C)[NH3+])cc1Br
192340079	ZINC000273861659	ref	3.54	-12.82	0	263.272	1.863	1	4	4	CC(=O)NCCc1noc(-c2cc(C)cc(F)c2)n1
342600425	ZINC000616999363	ref	4.32	-38.15	1	277.368	1.637	3	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ncccc2O)C1
214179398	ZINC000278477599	ref	3.0	-19.47	0	310.308	1.902	0	7	5	CN(C[C@@H]1CCCN1c1cccnn1)c1nnc(C(F)F)o1
342600426	ZINC000616999363	mid	4.29	-37.61	1	277.368	1.637	3	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ncccc2O)C1
342600427	ZINC000616999363	mid	5.32	-64.46	0	277.368	1.637	2	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2ncccc2[O-])C1
365627042	ZINC000576575889	mid	4.35	-7.28	0	230.311	2.551	0	3	3	COc1cc(CN2CCC2(C)C)ccc1C#N
342600428	ZINC000616999363	mid	5.29	-63.25	0	277.368	1.637	2	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2ncccc2[O-])C1
342600429	ZINC000616999441	ref	3.99	-36.11	1	270.417	1.63	3	2	4	CC(C)[C@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
214179404	ZINC000278476559	ref	4.32	-9.56	0	305.802	2.77	2	3	6	CC[C@H](SC)C(=O)NC[C@H](O)c1cc(F)cc(Cl)c1
168365557	ZINC000368501540	mid	7.14	-46.89	-1	337.354	3.337	1	3	2	O=C(c1ccc([O-])cc1F)N1CC=C(c2cc3cccnc3[nH]2)CC1
214179407	ZINC000278477869	ref	7.92	-49.44	1	313.376	2.42	1	2	5	Cc1nc(F)ccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C1=O
349533775	ZINC000618811751	ref	5.84	-21.64	0	288.351	1.794	0	5	5	CCOc1cc(C(=O)N(C)Cc2cn(C)nn2)ccc1C
349533781	ZINC000618811323	ref	6.01	-5.42	0	255.358	1.829	0	4	3	CC1(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1
349533786	ZINC000618811323	mid	8.5	-39.78	1	255.358	1.829	1	3	3	CC1(C[N@@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1
290623333	ZINC000492530308	ref	6.3	-54.38	-1	288.328	2.422	1	5	5	O=C([O-])Cc1ccc(NC(=O)/C=C\c2cscn2)cc1
190492721	ZINC000269416356	ref	7.39	-12.03	0	284.363	2.492	1	4	8	C=CCC[C@H](NC(=O)CCn1ccnn1)c1ccccc1
349533792	ZINC000618811323	mid	8.28	-34.48	1	255.358	1.829	1	3	3	CC1(C[N@H+]2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1
365627052	ZINC000576576574	ref	0.71	-47.87	1	223.28	-0.231	1	4	2	Cn1nncc1C(=O)N1CCCC[C@@H]1C[NH3+]
365627064	ZINC000576576285	ref	2.73	-39.33	1	221.304	1.322	2	3	5	CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnccc1N
365627071	ZINC000576576285	low	3.19	-100.12	2	221.304	1.322	2	2	5	CCO[C@@H]1C[C@H]1[NH2+][C@@H](C)c1c[nH+]ccc1N
185091395	ZINC000096080552	ref	6.27	-48.27	1	259.353	1.494	1	2	3	CC(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21
168365823	ZINC000041053765	mid	2.82	-88.94	2	185.315	0.36	2	1	2	C[C@@H]([NH3+])[C@@H](C)N1CCC[N@@H+](C)CC1
349533797	ZINC000618810711	ref	6.11	-22.77	0	283.335	1.877	1	4	3	Cc1ccc2cc(C(=O)N(C)Cc3cn(C)nn3)[nH]c2c1
365627079	ZINC000576576285	high	1.85	-5.68	0	221.304	1.322	2	4	5	CCO[C@@H]1C[C@H]1N[C@@H](C)c1cnccc1N
349533776	ZINC000621490338	ref	4.92	-16.66	0	298.346	3.284	1	4	3	C[C@@H]1C[C@@H](C)N1C(=O)Nc1ccc(Oc2cccnn2)cc1
185091396	ZINC000096080552	mid	6.47	-47.48	1	259.353	1.494	1	2	3	CC(C)C[N@H+]1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21
342600430	ZINC000616999441	mid	3.93	-35.77	1	270.417	1.63	3	2	4	CC(C)[C@](C)(O)C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1
290623335	ZINC000492530265	ref	4.28	-6.6	0	251.351	2.445	1	3	3	C[C@@H]1OCC[C@@]1(C)NC(=O)/C=C\c1ccsc1
342600431	ZINC000616998993	ref	5.27	-18.41	0	271.328	1.575	2	6	5	CC[C@@H](C)c1nnc([C@@H](C)Nc2ccc(C#N)nn2)[nH]1
342600432	ZINC000616998993	mid	4.76	-11.97	0	271.328	1.575	2	6	5	CC[C@@H](C)c1nc([C@@H](C)Nc2ccc(C#N)nn2)n[nH]1
197600661	ZINC000162925559	ref	4.76	-17.77	0	310.785	1.497	1	3	3	CN1C[C@H](NC(=O)N(C)Cc2ccc(Cl)nc2)CCC1=O
192340086	ZINC000273861294	ref	4.12	-7.24	0	273.336	2.896	0	5	4	COc1ccc(Cc2noc(C3(C)CCCC3)n2)cn1
222609413	ZINC000291777273	ref	4.81	-14.97	0	318.421	2.765	3	2	3	C[C@H](NC(=O)NC(C)(C)C)c1ccc(N2CCCNC2=O)cc1
342600433	ZINC000616998828	ref	3.78	-41.17	1	286.441	1.091	3	3	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(O)CCSC2)C1
282121111	ZINC000533465101	low	8.58	-42.81	1	294.318	1.926	1	5	3	Cc1cc(C)nc(NC(=O)c2ccc(-n3cc[nH+]c3)nn2)c1
365627049	ZINC000336546173	mid	7.46	-10.17	0	270.376	2.156	0	2	3	O=C1CCCN1CCN1Cc2ccccc2C2(CC2)C1
342600434	ZINC000616998828	mid	3.75	-40.76	1	286.441	1.091	3	3	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@]2(O)CCSC2)C1
197600673	ZINC000162930962	ref	8.99	-6.83	0	315.726	4.588	1	3	2	CC(C)(C)c1nc(Cl)cc(Nc2cc(F)c(F)c(F)c2)n1
342600435	ZINC000590851462	ref	3.12	-18.5	0	290.298	1.563	2	3	2	Cc1cc(NC(=O)N2CC[C@@](F)(C#N)C2)cc(C(N)=O)c1
342600436	ZINC000590849827	ref	0.54	-13.07	0	256.346	1.158	3	3	4	O=C(NCC[C@@H]1CCCO1)N[C@H]1CCCC[C@@H]1O
342600437	ZINC000590849826	ref	0.71	-10.91	0	256.346	1.158	3	3	4	O=C(NCC[C@@H]1CCCO1)N[C@H]1CCCC[C@H]1O
192340089	ZINC000273863249	ref	5.36	-9.7	0	289.36	2.585	0	5	3	Cc1ccsc1-c1nc([C@H]2CC(=O)N(C3CC3)C2)no1
290623337	ZINC000492530782	ref	7.06	-9.83	0	272.348	2.041	0	3	3	Cc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C2CC2)nc1
192340091	ZINC000273862728	ref	4.57	-7.91	0	263.385	2.694	2	4	6	Cc1cnc(C)c(NCC2([C@@H](C)CCO)CCC2)n1
342600438	ZINC000590850461	ref	3.43	-18.48	0	286.397	1.005	1	3	3	O=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H]1C1CC1
342600439	ZINC000616999049	ref	-0.31	-42.97	-1	262.269	1.01	2	4	4	COc1ccc([C@@H](C)NC(=O)c2n[nH]c(=O)[n-]2)cc1
343994645	ZINC000079935955	ref	5.02	-17.15	0	295.339	2.181	2	5	8	CCOCCNc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-]
343994648	ZINC000079942085	ref	4.09	-13.24	0	262.288	2.049	2	3	3	Cc1nccn1-c1ccc([C@@H](C)NC(N)=O)cc1F
365627050	ZINC000623056707	ref	3.78	-52.41	1	301.35	1.81	2	4	4	C[NH2+]C[C@@H]1CCN(C(=O)Nc2ccc(-c3ncon3)cc2)C1
365627062	ZINC000623056851	ref	2.44	-59.57	0	305.407	1.905	2	3	4	CC(C)c1ccc([C@H]([NH3+])CNC(=O)N=c2[n-]ncs2)cc1
365627069	ZINC000623056851	high	2.0	-45.72	-1	305.407	1.905	2	4	4	CC(C)c1ccc([C@H](N)CNC(=O)N=c2[n-]ncs2)cc1
398247612	ZINC000650868341	ref	1.98	-16.18	0	297.305	1.07	3	2	5	NC(=O)[C@H]1C[C@@H](NC(=O)NCCc2ccc(F)cc2F)C1
300266625	ZINC000335570298	mid	4.0	-38.08	1	255.28	1.799	2	2	2	C[C@H]1C[N@@H+](C[C@@](C)(O)C(F)(F)F)CC(C)(C)O1
342085821	ZINC000625358347	ref	6.07	-19.65	0	275.299	1.706	0	4	8	CCOCCN(CC)C(=O)Cn1ccc(C(F)F)n1
342085822	ZINC000625357869	ref	7.49	-47.54	1	299.378	1.43	1	4	2	O=C(c1ccnc2ccnn12)N1CCC[C@@H]([NH+]2CCCC2)C1
342085823	ZINC000625357869	high	5.08	-14.9	0	299.378	1.43	0	5	2	O=C(c1ccnc2ccnn12)N1CCC[C@@H](N2CCCC2)C1
349533778	ZINC000093232447	mid	3.29	-99.1	2	250.346	0.179	2	3	6	[NH3+]CCOCC[NH+]1CCN(c2ccccn2)CC1
306234565	ZINC000557847037	high	1.88	-45.38	-1	335.351	1.641	0	4	5	O=S(=O)([N-]CCN1CC=CCC1)c1cccnc1C(F)(F)F
306234566	ZINC000557853414	ref	5.43	-15.41	0	331.482	1.632	1	3	7	CCN(CCC1CC1)C(=O)NC[C@H]1CCCCN1S(C)(=O)=O
342085824	ZINC000625358244	ref	4.48	-10.85	0	296.172	1.823	1	5	4	C[C@@H](NCc1ccncc1Br)c1ncn(C)n1
178296812	ZINC000082791409	ref	2.44	-79.93	0	251.282	0.096	3	4	4	O=C([O-])c1ccc2c(c1)C[N@H+](C[C@@H](O)CO)CC2
343994655	ZINC000079942085	mid	4.55	-35.36	1	262.288	2.049	2	2	3	Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(N)=O)cc1F
365627077	ZINC000623056533	ref	1.25	-55.03	1	311.407	1.211	3	3	5	CS(=O)(=O)c1ccc(NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1
365627089	ZINC000623057941	ref	4.11	-55.91	1	315.377	1.969	3	3	4	Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)C[NH3+])cc2)cc(=O)[nH]1
178296815	ZINC000082791409	mid	2.5	-74.64	0	251.282	0.096	3	4	4	O=C([O-])c1ccc2c(c1)C[N@@H+](C[C@@H](O)CO)CC2
178296819	ZINC000082791409	mid	0.11	-58.15	-1	251.282	0.096	2	5	4	O=C([O-])c1ccc2c(c1)CN(C[C@@H](O)CO)CC2
342085825	ZINC000625358450	ref	1.74	-6.97	0	281.356	1.574	0	6	7	COCCO[C@H]1CCN(Cc2noc(C3CCC3)n2)C1
342085826	ZINC000625358359	ref	4.32	-8.17	0	296.411	1.47	2	3	8	CCCCN(CCO)C(=O)C(=O)NCC[C@H]1CC=CCC1
365627054	ZINC000336546140	ref	6.36	-8.25	0	273.376	2.256	1	2	2	Cc1ccc(C(C)(C)C(=O)N2C[C@H](O)C3(CC3)C2)cc1
365627060	ZINC000336546212	ref	5.7	-49.36	1	257.255	2.061	1	2	2	O[C@@H]1CN(Cc2cc(F)c(F)c(F)c2)CC12CC2
342085827	ZINC000625358123	ref	5.95	-41.76	1	252.362	1.247	1	4	3	Cn1cc(CC[NH+]2CC(C)(C)OC(C)(C)C2)nn1
343994646	ZINC000599273074	high	5.3	-12.88	0	299.378	1.378	0	6	8	COCCN(CCc1cn(C)nn1)Cc1ccc(C#N)cc1
197600671	ZINC000290114367	ref	11.87	-9.23	0	294.468	2.993	0	5	5	C=CCn1c(CC(C)C)nnc1N1CCS[C@@H](C)[C@H]1C
349533782	ZINC000621225880	low	5.36	-37.28	1	277.29	2.437	2	1	6	CC(C)(CNC(=O)CCc1[nH]cc[nH+]1)CC(F)(F)F
365627067	ZINC000336546212	low	5.76	-50.64	1	257.255	2.061	2	1	2	O[C@@H]1C[N@H+](Cc2cc(F)c(F)c(F)c2)CC12CC2
282121112	ZINC000248960534	mid	4.86	-17.48	0	301.456	1.684	2	4	4	CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCS[C@@H](C)CC1
282121118	ZINC000248962147	ref	4.42	-35.96	1	322.449	1.563	4	3	9	CC(C)[C@H](NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1ccccc1
282121124	ZINC000248962147	mid	4.48	-33.61	1	322.449	1.563	4	3	9	CC(C)[C@H](NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1ccccc1
282121129	ZINC000248962147	mid	1.28	-11.35	0	322.449	1.563	3	4	9	CC(C)[C@H](NC(=O)CN(C[C@H](C)O)[C@@H](C)CO)c1ccccc1
282121133	ZINC000248963158	ref	5.04	-17.46	0	309.435	1.605	1	4	6	CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)CCc2ccncn2)C1
282121136	ZINC000248960960	ref	3.55	-7.23	0	304.456	1.899	1	3	3	C[C@H]1CO[C@H](C)CN1S(=O)(=O)N[C@H]1CCC[C@@H](C)CC1
290623336	ZINC000046795835	ref	2.7	-12.53	0	299.396	0.948	1	4	3	CNC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C)cn1C
365627073	ZINC000336546212	low	5.7	-49.36	1	257.255	2.061	2	1	2	O[C@@H]1C[N@@H+](Cc2cc(F)c(F)c(F)c2)CC12CC2
230742393	ZINC000450478303	ref	3.78	-10.54	0	300.362	1.861	1	5	4	CCc1cnccc1CNC(=O)c1nn2c(c1C)OCCC2
365627082	ZINC000336545781	ref	7.26	-12.15	0	269.291	2.317	0	2	3	COCC(=O)N1CCC(c2c(F)cccc2F)CC1
365627090	ZINC000336545734	ref	4.41	-11.55	0	289.375	2.258	2	3	2	CC[C@@]1(O)CCN(C(=O)c2ccc3c(c2O)CCCC3)C1
342085828	ZINC000625358123	mid	3.52	-10.37	0	252.362	1.247	0	5	3	Cn1cc(CCN2CC(C)(C)OC(C)(C)C2)nn1
342085829	ZINC000625358525	ref	5.54	-19.54	0	290.363	1.399	1	3	6	CCOCCN(CC)C(=O)[C@@H]1CNC(=O)c2ccccc21
342085830	ZINC000625358047	ref	7.01	-37.09	1	289.383	1.313	1	4	3	O=C(c1cn(C2CC2)nn1)N1CCC[C@H]([NH+]2CCCC2)C1
342085831	ZINC000625358047	high	4.59	-8.2	0	289.383	1.313	0	5	3	O=C(c1cn(C2CC2)nn1)N1CCC[C@H](N2CCCC2)C1
349533783	ZINC000621486557	ref	3.93	-6.15	0	276.361	3.033	1	4	5	CC[C@H](NC(=O)c1cc(OC)ns1)c1ccccc1
185091398	ZINC000096080552	high	3.59	-9.55	0	259.353	1.494	0	3	3	CC(C)CN1C[C@@H]2CN(C(=O)c3ccncc3)C[C@@H]21
178296803	ZINC000001667624	ref	11.92	-29.04	1	248.349	3.678	0	0	3	Cc1cc2ccccc2c[n+]1CCc1ccccc1
178296810	ZINC000302010035	ref	7.1	-28.66	1	222.238	3.22	1	1	3	Cc1cc2ccccc2c(NCC(F)F)[nH+]1
178296813	ZINC000302010035	mid	6.77	-7.26	0	222.238	3.22	1	2	3	Cc1cc2ccccc2c(NCC(F)F)n1
178296817	ZINC000302078703	ref	7.1	-26.74	1	242.322	3.133	1	2	2	Cc1cc2ccccc2c(N[C@H]2CCO[C@@H]2C)[nH+]1
178296831	ZINC000302078703	mid	6.78	-5.93	0	242.322	3.133	1	3	2	Cc1cc2ccccc2c(N[C@H]2CCO[C@@H]2C)n1
178296835	ZINC000068150152	ref	7.75	-12.93	0	242.322	2.474	1	2	3	Cc1cc2ccccc2n1CC(=O)N[C@@H]1C[C@H]1C
178296844	ZINC000302079993	ref	8.35	-24.44	1	212.296	3.365	1	1	3	Cc1cc2ccccc2c(NCC2CC2)[nH+]1
192340090	ZINC000421445257	ref	0.98	-13.92	0	247.341	1.291	1	4	4	CCCNC(=O)c1ccc(S(C)(=O)=O)s1
178296849	ZINC000302079993	mid	8.02	-6.09	0	212.296	3.365	1	2	3	Cc1cc2ccccc2c(NCC2CC2)n1
178296853	ZINC000302024691	ref	5.55	-24.96	1	242.322	2.728	2	2	4	Cc1cc2ccccc2c(NCC2(CO)CC2)[nH+]1
178296860	ZINC000302024691	mid	5.2	-8.48	0	242.322	2.728	2	3	4	Cc1cc2ccccc2c(NCC2(CO)CC2)n1
178296864	ZINC000090377097	ref	10.08	-5.56	0	206.288	4.61	0	0	0	Cc1cc2ccc3ccccc3c2cc1C
178296868	ZINC000049943096	ref	9.49	-9.92	0	231.295	2.901	0	3	3	Cc1cc2ccccc2n1CC(=O)OC(C)C
178296877	ZINC000302031241	ref	5.49	-26.32	1	244.338	2.972	2	2	4	Cc1cc2ccccc2c(N[C@H](C)[C@@H](C)CO)[nH+]1
178296886	ZINC000302031241	mid	5.19	-7.22	0	244.338	2.972	2	3	4	Cc1cc2ccccc2c(N[C@H](C)[C@@H](C)CO)n1
178296892	ZINC000302039380	ref	6.17	-27.24	1	238.294	2.878	2	2	3	Cc1cc2ccccc2c(NCc2cc[nH]n2)[nH+]1
178296896	ZINC000302039380	mid	5.85	-9.38	0	238.294	2.878	2	3	3	Cc1cc2ccccc2c(NCc2cc[nH]n2)n1
178296900	ZINC000002012367	ref	10.44	-7.83	0	216.283	4.892	0	0	0	Cc1cc2cccc3ccc4cccc1c4c32
168365558	ZINC000368508487	ref	9.08	-12.91	0	326.375	3.393	2	3	5	CC(C)c1[nH]ccc1C(=O)NCc1ccc(-n2ccnc2)c(F)c1
168365560	ZINC000368508487	low	9.46	-37.42	1	326.375	3.393	2	2	5	CC(C)c1[nH]ccc1C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1
349536049	ZINC000602431538	mid	8.48	-43.87	1	231.343	3.091	2	1	5	C[C@@H](CCC#N)C[N@H+]1CCC[C@H]1c1ccc[nH]1
282121113	ZINC000449150817	ref	4.96	-9.84	0	279.409	2.458	2	4	4	CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(N)cn1
365627055	ZINC000641593853	ref	5.43	-44.42	1	273.34	1.261	2	4	2	CC[N@@H+]1CCN(c2ccc3nc[nH]c(=O)c3n2)[C@@H](C)C1
365627063	ZINC000641593853	mid	4.25	-49.75	1	273.34	1.261	2	4	2	CC[N@H+]1CCN(c2ccc3nc[nH]c(=O)c3n2)[C@@H](C)C1
365627068	ZINC000641593853	mid	1.97	-15.72	0	273.34	1.261	1	5	2	CCN1CCN(c2ccc3nc[nH]c(=O)c3n2)[C@@H](C)C1
365627076	ZINC000641594010	ref	4.98	-11.18	0	287.367	1.383	1	6	4	C[C@@H]1COCC[C@H]1CNc1ccc(-c2ccnn2C)nn1
343994647	ZINC000599273091	ref	6.83	-6.83	0	297.395	1.846	0	4	5	COC(=O)[C@H](C)CN(C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C1CC1
349533785	ZINC000093228453	ref	2.01	-49.73	-1	279.339	0.436	1	6	7	Cc1ccc(S(=O)(=O)NCCOCC(=O)[O-])s1
342085832	ZINC000625358932	ref	5.65	-39.56	1	297.37	1.986	2	3	6	CO[C@@H](C[N@H+](C)CC1(O)CCOCC1)c1ccc(F)cc1
299072511	ZINC000354605091	ref	2.86	-17.46	0	347.423	0.402	2	7	7	CC[C@H](NC(=O)C(=O)NCCCn1ccnn1)c1c(C)nn(C)c1C
342085833	ZINC000625358932	mid	5.92	-40.67	1	297.37	1.986	2	3	6	CO[C@@H](C[N@@H+](C)CC1(O)CCOCC1)c1ccc(F)cc1
282121120	ZINC000449150646	ref	8.04	-41.91	1	271.401	2.37	1	3	8	COC(=O)COC[C@H](C)[NH2+]CC[C@H]1CCCC[C@@H]1C
342085834	ZINC000625358932	high	4.13	-4.6	0	297.37	1.986	1	4	6	CO[C@@H](CN(C)CC1(O)CCOCC1)c1ccc(F)cc1
342085835	ZINC000625357719	ref	5.99	-5.99	0	296.411	1.568	1	3	7	CCCN(CC1CC1)C(=O)C(=O)NCC[C@H]1CCCOC1
342085836	ZINC000625358460	ref	6.51	-5.71	0	282.384	1.13	0	3	6	CCCN(CC1CC1)C(=O)C(=O)N(C)CC1(C)COC1
342085837	ZINC000625358380	ref	1.58	-6.37	0	285.359	1.577	3	3	8	CO[C@H](C[N@H+](C[C@H](C)O)[C@@H](C)CO)c1ccc(F)cc1
342085838	ZINC000625358380	mid	3.01	-36.05	1	285.359	1.577	3	3	8	CO[C@H](C[N@@H+](C[C@H](C)O)[C@@H](C)CO)c1ccc(F)cc1
342085839	ZINC000625358380	high	1.58	-6.37	0	285.359	1.577	2	4	8	CO[C@H](CN(C[C@H](C)O)[C@@H](C)CO)c1ccc(F)cc1
342085840	ZINC000625358109	ref	3.14	-8.01	0	270.417	1.63	3	2	4	C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCC(C)(C)C
342085841	ZINC000625358109	mid	4.83	-35.2	1	270.417	1.63	3	2	4	C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CC(=O)NCC(C)(C)C
342085842	ZINC000625358109	mid	3.14	-8.01	0	270.417	1.63	2	3	4	C[C@H](O)[C@@H]1C[C@H](C)CCN1CC(=O)NCC(C)(C)C
342085843	ZINC000625357315	ref	4.66	-5.72	0	296.411	1.424	1	3	3	C[C@H]1C[C@@H](C)CN(C(=O)C(=O)NCC[C@@H]2CCCOC2)C1
342085844	ZINC000625358046	ref	6.99	-36.63	1	289.383	1.313	1	4	3	O=C(c1cn(C2CC2)nn1)N1CCC[C@@H]([NH+]2CCCC2)C1
199273327	ZINC000181265708	ref	6.46	-19.59	0	313.357	1.984	1	4	2	COc1cccc2c1CCN(C(=O)Nc1ccc(=O)n(C)c1)C2
192340092	ZINC000421443089	ref	7.14	-5.45	0	223.36	2.973	1	1	4	CC[C@H](NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1)C(C)C
342085845	ZINC000625358046	high	4.57	-8.07	0	289.383	1.313	0	5	3	O=C(c1cn(C2CC2)nn1)N1CCC[C@@H](N2CCCC2)C1
342085846	ZINC000625358434	ref	9.12	-45.26	1	276.384	1.278	1	3	3	Cc1cncn1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1
192340094	ZINC000421444978	ref	7.23	-10.79	0	246.266	2.011	1	3	4	O=C(NCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC12CC2
342085847	ZINC000625358434	mid	9.63	-81.46	2	276.384	1.278	1	2	3	Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1
342085848	ZINC000625360811	ref	6.75	-8.28	0	290.338	1.867	1	2	4	CN(Cc1cccc(F)c1)C(=O)C(=O)NCC1CC=CC1
342085849	ZINC000625357937	ref	6.12	-17.25	0	262.313	1.228	0	5	6	CCOCCN(CC)C(=O)c1ccnc2ccnn12
342085850	ZINC000625358226	ref	6.82	-38.41	1	266.385	1.498	1	2	3	COC1CC(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)C1
342085851	ZINC000625358587	ref	6.2	-8.1	0	257.374	1.931	0	3	6	CCOCCN(CC)C(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C
342085852	ZINC000625358694	ref	3.86	-35.51	1	279.34	1.384	1	4	3	COc1nc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)co1
342085853	ZINC000625358694	high	1.44	-7.11	0	279.34	1.384	0	5	3	COc1nc(C(=O)N2CCC[C@@H](N3CCCC3)C2)co1
342085854	ZINC000625357268	ref	5.28	-11.05	0	280.368	1.05	0	3	2	C/C=C/C[C@@H]1CCCN(C(=O)C(=O)N2CCOCC2)C1
342085855	ZINC000625357749	ref	4.55	-6.54	0	294.395	1.032	1	3	4	C=C(C)CN(CC)C(=O)C(=O)N1C[C@@H]2CCC[C@]2(CO)C1
365627058	ZINC000617397619	mid	3.4	-8.07	0	295.427	0.651	0	4	4	CCN1CCN(CC(=O)N2CCO[C@@](C)(C3CC3)C2)CC1
342085856	ZINC000625357267	ref	5.21	-11.18	0	280.368	1.05	0	3	2	C/C=C\C[C@@H]1CCCN(C(=O)C(=O)N2CCOCC2)C1
192340096	ZINC000421439645	ref	5.54	-9.58	0	219.275	2.583	1	1	4	CC[C@H](C)[C@@H](C)NC(=O)[C@@]1(C)CC1(F)F
178296840	ZINC000082791374	ref	7.69	-62.37	0	274.364	1.837	1	3	2	CN1CCC([N@@H+]2CCc3c(cccc3C(=O)[O-])C2)CC1
178296841	ZINC000082791374	mid	7.7	-62.4	0	274.364	1.837	1	3	2	CN1CCC([N@H+]2CCc3c(cccc3C(=O)[O-])C2)CC1
192340099	ZINC000421440081	ref	8.13	-9.21	0	241.334	2.98	1	1	2	O=C(N[C@@H]1CCc2ccccc21)[C@]12CCC[C@H]1C2
192340102	ZINC000421442595	ref	9.43	-9.03	0	249.379	2.939	0	2	5	CCN(CCc1cccs1)C(=O)[C@@H]1CC12CC2
192340104	ZINC000421443518	ref	6.69	-8.43	0	245.322	2.673	1	2	4	COc1ccc([C@H](C)NC(=O)[C@H]2CC23CC3)cc1
343994649	ZINC000599272586	ref	7.23	-10.37	0	291.351	1.632	0	5	6	COC(=O)[C@@H](C)CN(C(=O)c1cnn(C2CC2)c1)C1CC1
343994650	ZINC000599271180	ref	7.94	-46.0	1	277.364	1.4	2	3	6	CCOC(=O)C[C@@H](O)C[N@H+](C)C1Cc2ccccc2C1
342085857	ZINC000625358576	ref	6.43	-13.65	0	253.346	1.71	0	4	7	CCOCCN(CC)C(=O)c1cn(CC)nc1C
295666699	ZINC000412990612	ref	9.82	-20.38	0	320.393	2.643	0	5	4	CCn1c(C)nnc1S[C@H]1CCN(c2ccc(F)cc2)C1=O
295666700	ZINC000412989067	ref	8.91	-15.09	0	304.302	2.823	0	6	2	CC1(C)CCC[C@@H](n2c(=O)oc3ccc([N+](=O)[O-])cc32)C1=O
197600699	ZINC000162919434	ref	5.85	-16.03	0	311.813	2.569	2	2	6	CNC(=O)CCCN(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1
197600708	ZINC000162918928	ref	2.97	-16.49	0	317.389	1.309	2	4	2	CN1CCC(=O)Nc2cc(C(=O)N3CCC[C@H](CO)C3)ccc21
295666701	ZINC000412988398	ref	6.74	-9.34	0	306.391	2.57	0	7	4	CC(C)[C@H](C)Sc1nnnn1-c1ccc2c(c1)OCCO2
178296839	ZINC000237083710	ref	1.48	-57.88	1	360.501	1.148	2	4	7	CCS(=O)(=O)c1cccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)c1
178296846	ZINC000237094234	ref	3.68	-55.19	-1	368.377	1.856	1	5	8	Cc1ccc(S(=O)(=O)NCCCN(C)CC(F)(F)F)cc1C(=O)[O-]
197600717	ZINC000162928399	ref	6.24	-10.94	0	305.353	2.8	1	4	6	CC(C)n1nccc1C(=O)NC[C@@H](C)Oc1ccccc1F
199273336	ZINC000294964390	high	4.83	-4.06	0	267.8	3.385	1	2	3	CCC1(O)CCN(Cc2c(C)cccc2Cl)CC1
342085858	ZINC000625358245	ref	4.37	-9.87	0	296.172	1.823	1	5	4	C[C@H](NCc1ccncc1Br)c1ncn(C)n1
342085859	ZINC000625358449	ref	1.83	-8.91	0	281.356	1.574	0	6	7	COCCO[C@@H]1CCN(Cc2noc(C3CCC3)n2)C1
342085860	ZINC000625358183	ref	5.78	-10.52	0	252.318	1.112	0	5	7	CCOCCN(CC)C(=O)c1cn(C2CC2)nn1
342085861	ZINC000625358892	ref	-2.19	-7.11	0	273.76	1.609	3	4	6	C[C@H](O)CN(Cc1cc(O)ccc1Cl)[C@@H](C)CO
342085862	ZINC000625358892	mid	-0.14	-32.34	1	273.76	1.609	4	3	6	C[C@H](O)C[N@H+](Cc1cc(O)ccc1Cl)[C@@H](C)CO
342085863	ZINC000625358892	mid	1.68	-29.91	1	273.76	1.609	4	3	6	C[C@H](O)C[N@@H+](Cc1cc(O)ccc1Cl)[C@@H](C)CO
342085864	ZINC000625358892	high	-1.49	-47.47	-1	273.76	1.609	2	4	6	C[C@H](O)CN(Cc1cc([O-])ccc1Cl)[C@@H](C)CO
342085865	ZINC000625357289	ref	5.7	-5.87	0	270.373	1.13	0	3	6	CCCN(CCC)C(=O)C(=O)N(C)CC1(C)COC1
342085866	ZINC000625358381	ref	1.78	-6.14	0	285.359	1.577	3	3	8	CO[C@H](C[N@H+](C[C@H](C)O)[C@H](C)CO)c1ccc(F)cc1
342085867	ZINC000625358381	mid	3.05	-37.37	1	285.359	1.577	3	3	8	CO[C@H](C[N@@H+](C[C@H](C)O)[C@H](C)CO)c1ccc(F)cc1
342085868	ZINC000625358381	high	1.78	-6.14	0	285.359	1.577	2	4	8	CO[C@H](CN(C[C@H](C)O)[C@H](C)CO)c1ccc(F)cc1
342085869	ZINC000625358896	ref	-1.45	-5.47	0	273.76	1.609	3	4	6	C[C@H](O)CN(Cc1cc(O)ccc1Cl)[C@H](C)CO
342085870	ZINC000625358896	mid	-0.01	-30.07	1	273.76	1.609	4	3	6	C[C@H](O)C[N@H+](Cc1cc(O)ccc1Cl)[C@H](C)CO
178296842	ZINC000082791374	mid	7.62	-79.61	0	274.364	1.837	1	3	2	C[NH+]1CCC(N2CCc3c(cccc3C(=O)[O-])C2)CC1
192340093	ZINC000081928368	ref	5.15	-42.82	1	311.447	2.341	1	3	5	C[NH2+][C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC(C)C
178296843	ZINC000082791374	low	10.09	-123.0	1	274.364	1.837	2	2	2	C[NH+]1CCC([N@@H+]2CCc3c(cccc3C(=O)[O-])C2)CC1
178296845	ZINC000082791374	low	10.1	-122.98	1	274.364	1.837	2	2	2	C[NH+]1CCC([N@H+]2CCc3c(cccc3C(=O)[O-])C2)CC1
192340095	ZINC000081928368	mid	3.77	-12.88	0	311.447	2.341	1	4	5	CN[C@@H]1c2ccc(OC)cc2CC[C@H]1S(=O)(=O)CC(C)C
178296847	ZINC000082791792	ref	6.55	-7.72	0	253.729	2.26	0	3	2	COC(=O)[C@@H](C)N1CCc2ccc(Cl)cc2C1
342085871	ZINC000625358896	mid	0.32	-31.54	1	273.76	1.609	4	3	6	C[C@H](O)C[N@@H+](Cc1cc(O)ccc1Cl)[C@H](C)CO
342085872	ZINC000625358896	high	-1.37	-50.42	-1	273.76	1.609	2	4	6	C[C@H](O)CN(Cc1cc([O-])ccc1Cl)[C@H](C)CO
192340097	ZINC000081927116	ref	3.25	-12.27	0	311.428	2.491	1	5	6	CN[C@H](CS(=O)(=O)c1cccs1)c1ccccc1OC
192340100	ZINC000081927116	mid	4.41	-42.04	1	311.428	2.491	1	4	6	C[NH2+][C@H](CS(=O)(=O)c1cccs1)c1ccccc1OC
342085873	ZINC000625358005	ref	6.55	-12.08	0	295.383	1.733	0	5	7	CCOCCN(CC)C(=O)c1ccn(C2CCOCC2)n1
342085874	ZINC000625358502	ref	2.83	-10.1	0	292.305	1.401	1	4	4	CO[C@@]1(C(F)(F)F)CCC[N@H+](CCc2cn(C)nn2)C1
192340103	ZINC000081926465	ref	9.41	-19.14	0	310.375	2.328	0	5	4	CC1(C)CN(C(=O)COc2cccc([N+](=O)[O-])c2)CCS1
342085875	ZINC000625358502	mid	5.35	-45.21	1	292.305	1.401	1	4	4	CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCc2cn(C)nn2)C1
342085876	ZINC000625358502	mid	2.83	-10.1	0	292.305	1.401	0	5	4	CO[C@@]1(C(F)(F)F)CCCN(CCc2cn(C)nn2)C1
192340107	ZINC000081926357	ref	8.54	-8.8	0	316.43	2.294	0	5	3	CC1(C)CN(C(=O)c2cn(Cc3ccccc3)nn2)CCS1
192340111	ZINC000081926099	ref	2.48	-12.41	0	301.408	1.789	1	5	8	CCN[C@@H](CS(=O)(=O)CC)c1ccc(OC)cc1OC
192340112	ZINC000081926099	mid	3.14	-40.97	1	301.408	1.789	1	4	8	CC[NH2+][C@@H](CS(=O)(=O)CC)c1ccc(OC)cc1OC
192340115	ZINC000081926397	ref	4.34	-45.18	1	311.428	2.491	1	4	6	C[NH2+][C@@H](CS(=O)(=O)c1cccs1)c1ccc(OC)cc1
178296850	ZINC000237094677	ref	4.46	-13.82	0	372.288	1.817	2	4	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CSCN1
178296854	ZINC000237094677	mid	5.73	-44.07	1	372.288	1.817	2	3	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@H]1CSC[NH2+]1
178296855	ZINC000237086480	ref	3.68	-52.08	1	367.515	1.851	2	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
178296858	ZINC000237086480	high	3.38	-10.9	0	367.515	1.851	2	4	7	CC[C@H](C)[C@@H](N)C(=O)NCc1ccc(S(=O)(=O)N2CCCCC2)cc1
365627070	ZINC000617396579	ref	3.74	-9.31	0	268.357	0.345	0	4	2	CN1CCO[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365627078	ZINC000617396579	mid	6.15	-50.83	1	268.357	0.345	1	3	2	C[N@@H+]1CCO[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
178296862	ZINC000237091315	ref	3.13	-65.44	1	353.469	1.428	2	4	6	CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H]([NH3+])c1ccccc1
178296865	ZINC000237091315	high	2.69	-20.17	0	353.469	1.428	2	5	6	CN(C)S(=O)(=O)c1ccsc1C(=O)NC[C@@H](N)c1ccccc1
178296867	ZINC000237090944	ref	3.04	-63.58	1	359.517	1.78	2	4	5	CN(C)S(=O)(=O)c1ccsc1C(=O)NCC1([NH3+])CCCCCC1
178296873	ZINC000237089201	ref	4.58	-49.34	1	358.847	1.688	2	4	4	COC(=O)c1cc(Cl)cc(S(=O)(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)c1
349533787	ZINC000594967485	ref	6.01	-51.35	1	257.443	2.844	1	1	3	CC1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](C)=O)C2)CC1
342085877	ZINC000625357737	ref	7.27	-44.13	1	276.327	1.355	1	2	5	O=C(COCC(F)F)N1CCC[C@@H]([NH+]2CCCC2)C1
365627083	ZINC000617396579	mid	5.98	-41.91	1	268.357	0.345	1	3	2	C[N@H+]1CCO[C@H](C(=O)N2CCO[C@](C)(C3CC3)C2)C1
365627091	ZINC000617396246	ref	3.91	-6.08	0	280.368	0.93	1	3	3	CNC(=O)C1(C(=O)N2CCO[C@@](C)(C3CC3)C2)CCC1
365627099	ZINC000617398879	ref	2.36	-6.84	0	252.314	0.279	1	3	3	C[C@@]1(C2CC2)CN(C(=O)C2(C(N)=O)CC2)CCO1
365627107	ZINC000617399034	ref	4.39	-9.65	0	268.357	0.929	1	3	3	CC(=O)NC(C)(C)C(=O)N1CCO[C@@](C)(C2CC2)C1
365627117	ZINC000617394499	ref	2.29	-20.71	0	277.324	0.755	2	3	3	C[C@@]1(C2CC2)CN(C(=O)c2cc(C(N)=O)c[nH]2)CCO1
282121114	ZINC000359332929	ref	6.22	-44.67	1	252.358	0.823	1	2	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCOC3)C1
282121122	ZINC000253550815	ref	11.67	-43.79	1	312.457	2.691	1	1	3	C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2C[C@]23CCCc2ccccc23)C1
342085878	ZINC000625358282	ref	9.05	-38.32	1	280.412	1.888	1	2	5	CCO[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CC1
168365567	ZINC000368508390	ref	5.89	-6.37	0	333.378	3.462	1	3	5	O[C@H](CCN1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1
168365824	ZINC000041053765	high	0.79	-39.12	1	185.315	0.36	1	2	2	C[C@@H]([NH3+])[C@@H](C)N1CCCN(C)CC1
342085879	ZINC000625358282	high	6.64	-9.43	0	280.412	1.888	0	3	5	CCO[C@@H](C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC1
342085880	ZINC000625358589	ref	6.03	-9.97	0	257.374	1.931	0	3	6	CCOCCN(CC)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C
343994651	ZINC000599271180	mid	8.17	-45.69	1	277.364	1.4	2	3	6	CCOC(=O)C[C@@H](O)C[N@@H+](C)C1Cc2ccccc2C1
343994652	ZINC000599271180	high	5.92	-10.64	0	277.364	1.4	1	4	6	CCOC(=O)C[C@@H](O)CN(C)C1Cc2ccccc2C1
342085881	ZINC000625357870	ref	7.49	-46.1	1	299.378	1.43	1	4	2	O=C(c1ccnc2ccnn12)N1CCC[C@H]([NH+]2CCCC2)C1
365627080	ZINC000625045324	ref	6.0	-19.18	0	307.438	2.408	2	2	4	CC[C@@H]1CC[C@@H](NC(=O)N[C@@H]2CCN(C3CCC3)C2=O)CC1
343994653	ZINC000599271324	ref	4.71	-12.99	0	254.721	1.742	1	4	4	CC(C)C[C@H](C#N)NC(=O)c1nn(C)cc1Cl
342085882	ZINC000625357870	high	5.07	-15.65	0	299.378	1.43	0	5	2	O=C(c1ccnc2ccnn12)N1CCC[C@H](N2CCCC2)C1
342088590	ZINC000121638555	ref	4.08	-46.26	1	250.273	1.911	2	2	5	C[NH2+]CCCNC(=O)c1cc2cc(F)ccc2o1
197600716	ZINC000290117176	ref	4.94	-9.34	0	289.404	2.786	2	4	5	CNc1ccc(C(=O)NCc2cccc(N(C)C)c2)s1
197600718	ZINC000290114006	ref	3.7	-12.75	0	276.361	1.924	2	4	5	C[C@H](NC(=O)Cc1cncs1)[C@@H](O)c1ccccc1
312713199	ZINC000176930580	ref	6.63	-8.8	0	289.426	2.37	1	7	8	COC(=O)CCSCCNc1nc(C(C)C)ns1
365627093	ZINC000625047041	ref	7.06	-21.43	0	319.405	2.273	1	3	5	CCN(Cc1occc1C)C(=O)N[C@H]1CCN(C2CCC2)C1=O
365627101	ZINC000625049719	ref	6.24	-37.48	1	320.433	2.013	1	4	6	COc1ccccc1N1CC[NH+](CCOC2CCOCC2)CC1
197600719	ZINC000290114150	ref	8.49	-12.9	0	259.353	3.223	1	2	3	CC[C@@H]1CCN(C(=O)Nc2cc(C3CC3)ccn2)C1
365627110	ZINC000625049719	mid	3.91	-6.83	0	320.433	2.013	0	5	6	COc1ccccc1N1CCN(CCOC2CCOCC2)CC1
342088591	ZINC000200044419	ref	6.57	-10.13	0	283.291	1.55	1	7	3	CCOC(=O)c1cnc2c(-c3ccccn3)c(N)nn2c1
342088592	ZINC000121571994	ref	6.63	-17.61	0	289.383	1.424	1	5	4	Cn1cc(C(=O)NCCc2cncn2C)c(C(C)(C)C)n1
342088593	ZINC000121571994	low	7.14	-43.46	1	289.383	1.424	1	4	4	Cn1cc(C(=O)NCCc2c[nH+]cn2C)c(C(C)(C)C)n1
342088594	ZINC000121533949	ref	5.56	-16.02	0	279.727	1.752	2	4	4	Cn1cncc1CCNC(=O)c1ccc(Cl)cc1O
342088595	ZINC000121533949	mid	6.57	-56.67	-1	279.727	1.752	1	4	4	Cn1cncc1CCNC(=O)c1ccc(Cl)cc1[O-]
342088596	ZINC000121533949	low	6.07	-41.99	1	279.727	1.752	2	3	4	Cn1c[nH+]cc1CCNC(=O)c1ccc(Cl)cc1O
299072513	ZINC000418340547	ref	7.97	-45.9	1	295.471	2.985	2	1	4	C[C@H](NC(=O)N(C)[C@@H](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1
342600440	ZINC000590850601	ref	7.76	-14.52	0	263.345	1.252	1	4	5	O=C(NCCCn1cncn1)N1CCC[C@@H]1C1CC1
365627084	ZINC000641593397	ref	4.46	-42.86	1	298.408	1.41	0	4	3	COc1cccc(S(=O)(=O)N2CCN(C)C(C)(C)C2)c1
300267007	ZINC000343741710	high	2.03	-3.4	0	271.401	1.663	1	4	2	C[C@H]1CN(C[C@H](O)C(C)(C)C)CC2(CCOCC2)O1
282121116	ZINC000533464380	ref	3.77	-14.0	0	283.378	1.989	1	6	6	Cc1cc(CNC(=O)CSCc2cscn2)no1
342600441	ZINC000616998971	ref	6.87	-79.99	2	269.433	1.563	3	1	5	CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)[NH+](C)C
365627092	ZINC000641593397	low	4.55	-42.56	1	298.408	1.41	1	3	3	COc1cccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)C2)c1
295666704	ZINC000412989697	ref	3.94	-9.63	0	304.828	2.968	0	7	6	CC(C)Oc1nnc(SCCn2cc(Cl)cn2)s1
365627097	ZINC000641593397	low	4.46	-42.86	1	298.408	1.41	1	3	3	COc1cccc(S(=O)(=O)N2CC[N@@H+](C)C(C)(C)C2)c1
365627105	ZINC000641593854	ref	4.57	-42.58	1	273.34	1.261	2	4	2	CC[N@@H+]1CCN(c2ccc3nc[nH]c(=O)c3n2)[C@H](C)C1
295666705	ZINC000412991000	ref	4.96	-7.08	0	317.57	2.543	1	2	2	C[C@@H]1NC(=O)N(Cc2cc(Cl)cc(Br)c2)C1=O
178296879	ZINC000082791462	ref	8.32	-31.73	0	259.227	2.148	1	2	2	O=C([O-])C[N@@H+]1CCc2c(cccc2C(F)(F)F)C1
178296881	ZINC000082791462	mid	8.32	-31.74	0	259.227	2.148	1	2	2	O=C([O-])C[N@H+]1CCc2c(cccc2C(F)(F)F)C1
365627111	ZINC000641593854	mid	5.06	-43.16	1	273.34	1.261	2	4	2	CC[N@H+]1CCN(c2ccc3nc[nH]c(=O)c3n2)[C@H](C)C1
214179402	ZINC000053363977	mid	11.31	-41.2	1	335.839	2.837	2	4	7	CC(C)CC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1
214179405	ZINC000053363977	mid	9.03	-11.38	0	335.839	2.837	1	5	7	CC(C)CCN(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1
214179409	ZINC000053364716	ref	6.87	-13.49	0	346.258	3.027	1	4	6	O=C(Cn1ncc(Cl)c(Cl)c1=O)NCCCC1CCCCC1
365627114	ZINC000641593854	mid	2.17	-15.63	0	273.34	1.261	1	5	2	CCN1CCN(c2ccc3nc[nH]c(=O)c3n2)[C@H](C)C1
398247614	ZINC000651456349	ref	7.61	-8.46	0	272.339	3.006	1	1	2	O=C(NC1CC2(CCC2)C1)N1CCC(C(F)F)CC1
178296882	ZINC000082791462	mid	5.65	-43.16	-1	259.227	2.148	0	3	2	O=C([O-])CN1CCc2c(cccc2C(F)(F)F)C1
187167101	ZINC000125049138	ref	1.96	-18.68	0	288.347	2.161	2	4	7	CC[C@H](O)CCNC(=O)Cc1coc(-c2ccccc2)n1
168365826	ZINC000000019198	ref	-1.09	-42.32	1	118.18	-0.14	2	2	3	C[C@@H]([NH3+])[C@@H](C)CON
365627125	ZINC000641593843	ref	4.35	-44.91	1	292.445	1.013	0	4	5	CO[C@@H](CS(=O)(=O)N1CCN(C)C(C)(C)C1)C(C)C
365627086	ZINC000576576054	ref	5.15	-101.51	2	237.347	0.196	2	1	4	O=C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)N1CC[NH2+]CC1
214179403	ZINC000293494195	ref	1.15	-8.92	0	364.146	0.916	3	3	3	CNC(=O)[C@H](C)NC(=O)C(=O)Nc1cc(F)cc(Br)c1F
197600742	ZINC000162920131	ref	3.55	-11.88	0	306.391	1.232	1	6	4	O=C(c1cn(Cc2cccs2)nn1)N1CCC[C@@H](CO)C1
214179408	ZINC000293500274	ref	0.9	-12.99	0	369.443	0.561	2	5	7	CC[C@H]1CCN1C(=O)C(=O)Nc1ccc(S(=O)(=O)NCCOC)cc1
342085883	ZINC000625359219	ref	-0.21	-7.14	0	294.399	1.226	2	5	5	CC1(C)CN(Cc2noc(C3CCC3)n2)CC[N@@H+]1CCO
192340101	ZINC000273863248	ref	5.36	-9.34	0	289.36	2.585	0	5	3	Cc1ccsc1-c1nc([C@@H]2CC(=O)N(C3CC3)C2)no1
192340105	ZINC000273862330	ref	6.47	-11.53	0	270.296	1.895	0	7	4	CCc1cnccc1-c1noc([C@H](C)n2cncn2)n1
295666706	ZINC000328897306	ref	6.23	-17.27	0	331.503	1.945	0	4	2	CS[C@H]1CCCCN(C(=O)[C@@H]2CC23CCS(=O)(=O)CC3)C1
199273337	ZINC000181260624	ref	2.83	-9.35	0	303.131	2.187	2	2	1	O=C(Nc1cc(F)ccc1Br)N1CC[C@H](O)C1
342085884	ZINC000625359219	mid	2.03	-32.19	1	294.399	1.226	2	5	5	CC1(C)CN(Cc2noc(C3CCC3)n2)CC[N@H+]1CCO
342085885	ZINC000625359219	mid	-0.21	-7.14	0	294.399	1.226	1	6	5	CC1(C)CN(Cc2noc(C3CCC3)n2)CCN1CCO
342085886	ZINC000625358957	ref	6.2	-37.11	1	260.341	1.177	1	3	2	O=C(c1cccnn1)N1CCC[C@@H]([NH+]2CCCC2)C1
342085887	ZINC000625358957	high	3.79	-8.56	0	260.341	1.177	0	4	2	O=C(c1cccnn1)N1CCC[C@@H](N2CCCC2)C1
342085888	ZINC000625359956	ref	0.99	-32.32	1	265.357	1.466	2	4	4	COc1cncc(C[N@@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)n1
342085889	ZINC000625359956	mid	2.21	-36.01	1	265.357	1.466	2	4	4	COc1cncc(C[N@H+]2CC[C@H](C)C[C@@H]2[C@@H](C)O)n1
342085890	ZINC000625359956	mid	0.58	-4.87	0	265.357	1.466	1	5	4	COc1cncc(CN2CC[C@H](C)C[C@@H]2[C@@H](C)O)n1
342085891	ZINC000625360009	ref	5.4	-35.34	1	257.374	1.683	1	3	5	CC[C@@]1(C)C[N@H+](CCOC2CCOCC2)CCO1
342085892	ZINC000625360009	mid	5.39	-35.36	1	257.374	1.683	1	3	5	CC[C@@]1(C)C[N@@H+](CCOC2CCOCC2)CCO1
342085893	ZINC000625360009	mid	3.36	-4.27	0	257.374	1.683	0	4	5	CC[C@@]1(C)CN(CCOC2CCOCC2)CCO1
342085894	ZINC000625359266	ref	5.04	-33.61	1	296.333	1.49	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H](C)[C@H]1CO
342085895	ZINC000625359266	mid	5.39	-36.91	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO
342085896	ZINC000625359266	mid	5.04	-33.61	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO
365627095	ZINC000336545734	high	5.38	-58.97	-1	289.375	2.258	1	3	2	CC[C@@]1(O)CCN(C(=O)c2ccc3c(c2[O-])CCCC3)C1
343994654	ZINC000599271382	ref	5.08	-10.38	0	298.408	1.022	1	6	6	CCOC(=O)[C@@H]1CSCCN1C[C@@H](O)CC1(C#N)CC1
365627102	ZINC000336546501	ref	8.37	-15.52	0	290.407	2.226	1	2	3	O=C(NC1CC1)[C@@H]1CCCN1C(=O)[C@H]1CC12CCCCC2
282121119	ZINC000151615816	ref	3.14	-9.87	0	320.389	2.044	2	4	3	O=C(NC[C@H]1CCCCO1)N1CCO[C@H](c2cccc(O)c2)C1
178296880	ZINC000237095605	ref	4.4	-60.11	1	355.236	1.512	2	3	4	CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1([NH3+])CCCC1
178296884	ZINC000237095605	high	4.46	-17.29	0	355.236	1.512	2	4	4	CN(CC(=O)Nc1ccc(Br)cn1)C(=O)C1(N)CCCC1
178296888	ZINC000237095152	ref	1.54	-65.24	1	362.879	1.159	2	4	9	CCOc1ccc(Cl)cc1CCNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O
365627109	ZINC000336546079	ref	6.41	-16.12	0	279.405	2.285	0	2	1	Cc1ccc(C(=O)N2C[C@@H](C)S(=O)[C@H](C)C2)cc1C
365627116	ZINC000336546198	ref	6.08	-13.62	0	283.375	2.365	2	1	3	O=C1CCCN1[C@@H]1CC[N@H+](Cc2cccc3cc[nH]c23)C1
282121126	ZINC000151612205	ref	5.07	-9.18	0	323.458	2.32	2	4	7	C[C@H](CSc1ccccc1)C(=O)NCC1(CO)CCOCC1
306234567	ZINC000557846222	ref	5.58	-15.05	0	338.429	1.175	0	4	7	COCc1ccccc1CS(=O)(=O)N1CC(=O)N(CC2CC2)C1
178296890	ZINC000237095152	mid	1.2	-21.76	0	362.879	1.159	2	5	9	CCOc1ccc(Cl)cc1CCNC(=O)[C@@H](N)CCS(C)(=O)=O
178296894	ZINC000237096149	ref	1.57	-61.07	1	351.428	1.268	2	4	6	Cc1oc(C(=O)NC[C@@H]([NH3+])c2ccccc2)cc1S(=O)(=O)N(C)C
214179406	ZINC000337606094	ref	4.65	-8.9	0	285.428	2.495	2	3	8	CCCC[C@H](C)C(=O)NC[C@@]1(O)C[C@@H](OCC)C1(C)C
214179410	ZINC000337607528	ref	3.1	-12.84	0	297.355	0.288	1	6	7	CN(CCOCCO)C(=O)C(=O)c1cnn(C(C)(C)C)c1
178296897	ZINC000237096149	high	1.12	-14.54	0	351.428	1.268	2	5	6	Cc1oc(C(=O)NC[C@@H](N)c2ccccc2)cc1S(=O)(=O)N(C)C
178296899	ZINC000237093338	ref	2.04	-51.7	-1	360.379	1.609	1	6	8	CN(CCCNS(=O)(=O)c1cc(C(=O)[O-])cs1)CC(F)(F)F
178296901	ZINC000237093338	high	1.68	-98.83	-2	360.379	1.609	0	6	8	CN(CCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)CC(F)(F)F
214179415	ZINC000337608511	ref	4.74	-51.95	1	289.295	0.907	3	4	5	O=C(NCC[NH+]1CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc12
133428088	ZINC000306442427	ref	4.21	-14.05	0	180.251	1.595	1	2	3	CCCC(=O)N[C@@]1(C#N)CC1(C)C
214179419	ZINC000337608511	mid	1.56	-13.86	0	289.295	0.907	2	5	5	O=C(NCCN1CCC1)c1[nH]nc2ccc([N+](=O)[O-])cc12
342085897	ZINC000625359277	ref	6.4	-34.45	1	257.374	1.539	1	3	9	CCO[C@@H](C[N@@H+]1CC[C@H](OCCOC)C1)C1CC1
342085898	ZINC000625359277	mid	6.47	-33.67	1	257.374	1.539	1	3	9	CCO[C@@H](C[N@H+]1CC[C@H](OCCOC)C1)C1CC1
342085899	ZINC000625360502	ref	1.63	-5.43	0	289.148	1.749	1	3	3	OC[C@@H]1C[C@H](F)CN1Cc1ccncc1Br
178296889	ZINC000082791373	ref	5.98	-50.13	-1	259.227	2.305	0	3	2	O=C([O-])c1cccc2c1CCN(CC(F)(F)F)C2
342085900	ZINC000625360052	ref	1.23	-9.13	0	257.334	1.32	1	5	4	OC[C@@H]1C[C@@H](F)CN1Cc1nnc(C2CC2)s1
342085901	ZINC000625359385	ref	6.38	-11.78	0	251.33	1.717	0	4	7	CCOCCN(CC)C(=O)c1cnn(C2CC2)c1
342085902	ZINC000625359268	ref	5.13	-35.53	1	296.333	1.49	1	3	6	CCCN(CC(F)(F)F)C(=O)CN1CC[C@@H](C)[C@@H]1CO
342085903	ZINC000625359268	mid	4.76	-37.13	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H]1CO
342085904	ZINC000625359268	mid	5.13	-35.53	1	296.333	1.49	2	2	6	CCCN(CC(F)(F)F)C(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CO
168365828	ZINC000006677084	ref	2.79	-44.6	1	126.163	-0.375	1	3	2	C[C@@H]([NH3+])Cn1cncn1
342085905	ZINC000625358983	ref	4.22	-7.53	0	296.411	1.16	2	3	7	CCCCN(CCO)C(=O)C(=O)NC[C@@]1(C)C[C@@H]2C[C@@H]2C1
342085906	ZINC000625360460	ref	-0.36	-35.45	1	295.383	1.141	2	5	7	CCO[C@H]1C[C@](CO)([NH2+]Cc2cncc(OC)n2)C1(C)C
342085907	ZINC000625360460	mid	-1.61	-5.74	0	295.383	1.141	2	6	7	CCO[C@H]1C[C@](CO)(NCc2cncc(OC)n2)C1(C)C
342085908	ZINC000625360402	ref	6.47	-42.9	1	264.373	1.249	1	4	4	Cn1cc(CC[NH+]2CCC([C@H]3CCCO3)CC2)nn1
342085909	ZINC000625360402	high	4.08	-10.67	0	264.373	1.249	0	5	4	Cn1cc(CCN2CCC([C@H]3CCCO3)CC2)nn1
178296916	ZINC000082791410	ref	6.14	-5.71	0	255.111	3.193	0	2	0	CC1(C)CC(=O)c2cccc(Br)c2O1
282121121	ZINC000333717361	high	6.52	-16.4	0	332.452	1.027	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)N1CCN(C3CC3)C[C@@H](C)C1)CC2
178296919	ZINC000082791467	ref	8.85	-30.85	0	273.254	2.537	1	2	2	C[C@H](C(=O)[O-])[N@@H+]1CCc2c(cccc2C(F)(F)F)C1
365627096	ZINC000576576054	mid	3.85	-39.54	1	237.347	0.196	2	2	4	O=C(C[NH2+][C@@H]1CC[C@@H]1C1CC1)N1CCNCC1
365627104	ZINC000576576102	ref	4.7	-114.09	2	246.358	1.79	2	2	6	C[C@H](CCC[NH3+])[NH2+]Cc1ccc2cnn(C)c2c1
178296921	ZINC000082791467	mid	8.84	-34.76	0	273.254	2.537	1	2	2	C[C@H](C(=O)[O-])[N@H+]1CCc2c(cccc2C(F)(F)F)C1
342085910	ZINC000625360293	ref	2.77	-7.33	0	268.382	1.697	0	5	4	c1nc2c(s1)CN(CCOC1CCOCC1)CC2
342085911	ZINC000625360293	mid	5.09	-40.41	1	268.382	1.697	1	4	4	c1nc2c(s1)C[N@H+](CCOC1CCOCC1)CC2
342085912	ZINC000625360293	mid	5.43	-39.9	1	268.382	1.697	1	4	4	c1nc2c(s1)C[N@@H+](CCOC1CCOCC1)CC2
365627098	ZINC000637721002	ref	6.83	-13.66	0	259.313	1.657	0	5	5	CCCCN(C(=O)c1cn(C)nn1)c1ccccn1
365627112	ZINC000274333320	ref	4.3	-10.68	0	290.342	1.627	0	5	4	Cc1cnn(C[C@@H]2CN(Cc3cncc(F)c3)CCO2)c1
365627122	ZINC000274332518	ref	4.46	-11.7	0	292.339	1.483	1	5	2	CC1(C2CCN(C(=O)Nc3cncnc3)CC2)OCCO1
342085913	ZINC000625359918	ref	4.12	-33.92	1	271.401	1.663	2	3	5	C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CCOC1CCOCC1
299072515	ZINC000354605765	ref	2.93	-17.64	0	347.415	0.804	2	4	4	CCN(C)C(=O)c1cccc(NC(=O)C(=O)N2C[C@H](C)[C@@H](CO)C2)c1
136228732	ZINC000285196795	ref	7.07	-6.22	0	218.3	2.758	0	3	6	C#CCCCCc1nc(CC2CCC2)no1
136228733	ZINC000285191905	ref	5.15	-5.56	0	212.318	3.002	0	4	5	C=C(C)CCc1noc([C@@H](C)SC)n1
282121123	ZINC000449150756	ref	6.99	-38.77	1	268.426	2.013	1	2	3	C[C@H]([NH2+]C1CC1)C(=O)N1CCS[C@@H]2CCCC[C@@H]21
282121127	ZINC000449150756	high	5.87	-4.77	0	268.426	2.013	1	3	3	C[C@H](NC1CC1)C(=O)N1CCS[C@@H]2CCCC[C@@H]21
342085914	ZINC000625359918	mid	4.69	-34.75	1	271.401	1.663	2	3	5	C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1CCOC1CCOCC1
342085915	ZINC000625360501	ref	0.83	-6.0	0	289.148	1.749	1	3	3	OC[C@H]1C[C@@H](F)CN1Cc1ccncc1Br
342085916	ZINC000625360415	ref	1.4	-6.82	0	251.33	1.684	1	5	6	OCCN(Cc1noc(C2CCC2)n1)C1CCC1
342085917	ZINC000625360415	low	3.29	-28.01	1	251.33	1.684	2	4	6	OCC[N@H+](Cc1noc(C2CCC2)n1)C1CCC1
342085918	ZINC000625360415	low	3.67	-29.95	1	251.33	1.684	2	4	6	OCC[N@@H+](Cc1noc(C2CCC2)n1)C1CCC1
342085919	ZINC000625359986	ref	5.52	-36.51	1	257.374	1.537	1	3	7	CCO[C@H](C[N@@H+]1C[C@@H](C)O[C@@H](COC)C1)C1CC1
342085920	ZINC000625359986	mid	6.02	-37.45	1	257.374	1.537	1	3	7	CCO[C@H](C[N@H+]1C[C@@H](C)O[C@@H](COC)C1)C1CC1
342085921	ZINC000625359986	high	4.51	-4.67	0	257.374	1.537	0	4	7	CCO[C@H](CN1C[C@@H](C)O[C@@H](COC)C1)C1CC1
342085922	ZINC000625359733	ref	4.97	-35.9	1	276.38	1.566	3	2	5	C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccccc2)[C@@H]1CO
342085923	ZINC000625359733	mid	4.61	-37.19	1	276.38	1.566	3	2	5	C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccccc2)[C@@H]1CO
342085924	ZINC000625359733	high	2.56	-7.66	0	276.38	1.566	2	3	5	C[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2)[C@@H]1CO
342085925	ZINC000625359299	ref	4.52	-7.56	0	296.411	1.16	2	3	7	CCCCN(CCO)C(=O)C(=O)NC[C@@H]1CC[C@@H]2C[C@@H]2C1
342085926	ZINC000625360010	ref	5.38	-35.34	1	257.374	1.683	1	3	5	CC[C@]1(C)C[N@H+](CCOC2CCOCC2)CCO1
342085927	ZINC000625360010	mid	5.32	-35.46	1	257.374	1.683	1	3	5	CC[C@]1(C)C[N@@H+](CCOC2CCOCC2)CCO1
365627103	ZINC000623057941	high	3.02	-81.86	0	315.377	1.969	2	3	4	Cc1nc(-c2ccc(NC(=O)N(C)[C@H](C)C[NH3+])cc2)cc(=O)[n-]1
342600442	ZINC000616998971	mid	6.88	-80.0	2	269.433	1.563	3	1	5	CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+](C)C
168365830	ZINC000307223146	ref	1.66	-47.67	1	198.291	1.214	2	2	3	C[C@@H]([NH3+])[C@@H](C)NC(=O)c1cccs1
190597653	ZINC000270096322	ref	7.54	-11.01	0	258.296	3.099	1	1	1	CC1=CCN(C(=O)c2cc3c(F)cccc3[nH]2)CC1
136228734	ZINC000285379898	ref	6.69	-39.36	1	247.338	2.696	2	2	6	C=CCC[C@H](O)C[N@@H+]1CCC=C(c2ccco2)C1
398247615	ZINC000650868852	ref	6.44	-39.66	1	283.416	1.68	2	2	5	CC[C@@H]1COC(C)(C)CN1C(=O)NCC[N@H+](C)C1CC1
342600443	ZINC000616998971	high	4.76	-36.23	1	269.433	1.563	2	2	5	CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)N(C)C
342600444	ZINC000616998971	high	4.78	-36.84	1	269.433	1.563	2	2	5	CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)N(C)C
178296903	ZINC000237084146	ref	6.01	-45.93	1	374.304	1.793	1	3	5	C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(=O)c1ccc(Br)s1
178296905	ZINC000237084102	ref	5.55	-43.9	1	358.236	1.325	1	3	5	C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(=O)c1ccc(Br)o1
192340106	ZINC000421439256	ref	7.53	-6.56	0	235.371	3.119	1	1	3	C[C@@H]1CCCC[C@@H]1CNC(=O)[C@@]12CCC[C@@H]1C2
178296907	ZINC000237093836	ref	3.06	-14.49	0	370.247	1.143	2	4	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1COCCN1
282121125	ZINC000533459702	ref	3.97	-9.06	0	290.396	1.261	0	7	3	Cc1ncc2c(n1)CCN(Cc1nsc(N(C)C)n1)C2
178296911	ZINC000237093836	low	4.31	-42.91	1	370.247	1.143	2	3	4	Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)[C@@H]1COCC[NH2+]1
192340109	ZINC000421442905	ref	5.55	-6.97	0	237.343	1.965	1	2	3	O=C(NC[C@@H]1CCCOC1)[C@@H]1CC[C@@H]2C[C@@H]2C1
214179411	ZINC000278477869	mid	6.66	-13.14	0	313.376	2.42	1	3	5	Cc1nc(F)ccc1CN[C@H]1CCN(Cc2ccccc2)C1=O
342600445	ZINC000616998750	ref	2.29	-42.46	1	293.367	1.229	3	3	4	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1
192340113	ZINC000421439263	ref	6.91	-9.46	0	245.313	2.974	1	1	3	C[C@@H]1CCC[C@H](CNC(=O)[C@]2(C)CC2(F)F)C1
192340117	ZINC000421440661	ref	6.28	-7.94	0	245.322	2.249	1	2	5	COCc1cccc(CNC(=O)[C@@H]2CC23CC3)c1
192340120	ZINC000421445310	ref	7.63	-8.28	0	247.313	3.22	1	1	3	Cc1c(F)cccc1C(=O)NC[C@H]1CC=CCC1
192340124	ZINC000421439787	ref	7.88	-6.99	0	209.333	2.681	0	1	4	CCN(CC(C)C)C(=O)[C@]12CCC[C@H]1C2
192340127	ZINC000421439540	ref	6.7	-9.45	0	245.313	2.974	1	1	3	CC1CCC(CNC(=O)[C@@]2(C)CC2(F)F)CC1
342600446	ZINC000616998750	mid	2.34	-42.79	1	293.367	1.229	3	3	4	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2ccc(C(N)=O)o2)C1
342085928	ZINC000625360010	mid	3.37	-3.97	0	257.374	1.683	0	4	5	CC[C@]1(C)CN(CCOC2CCOCC2)CCO1
365627113	ZINC000623056936	ref	1.78	-55.61	1	316.361	1.161	3	3	2	C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1
178296915	ZINC000001998289	ref	12.11	-87.17	2	244.382	2.532	0	0	4	Cc1cc2ccccc2c[n+]1CCC[N+](C)(C)C
230742425	ZINC000414363505	ref	4.63	-14.83	0	323.414	3.392	1	5	7	CCCOc1cc(C)ccc1NCc1ccc(S(C)(=O)=O)o1
214179412	ZINC000293496264	ref	-0.5	-12.19	0	354.794	0.695	4	4	5	CC[C@H](O)CNC(=O)C(=O)Nc1cc(N2CCNC2=O)ccc1Cl
230742428	ZINC000414361651	ref	8.17	-9.98	0	304.415	3.331	1	3	7	C=CCC[C@H]1NC(=O)N(c2cccc(CSCC)c2)C1=O
178296924	ZINC000302071381	ref	7.08	-24.52	1	242.322	3.134	1	2	2	Cc1cc2ccccc2c(N[C@H]2CCCOC2)[nH+]1
230742431	ZINC000414361250	ref	8.61	-12.13	0	322.792	3.45	0	3	3	CCOc1ccc(Cl)c(N2C(=O)N(C)C3(CCCC3)C2=O)c1
230742434	ZINC000414363183	ref	8.2	-8.21	0	316.474	3.202	1	5	4	Cc1cc(N2CCSCC2)ccc1NCc1cc(C)n(C)n1
282121128	ZINC000237829080	ref	3.39	-63.73	1	277.372	0.679	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)C1([NH3+])CCCCC1)CC2
178296928	ZINC000302071381	mid	6.78	-7.54	0	242.322	3.134	1	3	2	Cc1cc2ccccc2c(N[C@H]2CCCOC2)n1
365627124	ZINC000623056936	high	-0.03	-81.42	0	316.361	1.161	2	3	2	C[C@H]([NH3+])C1CCN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)CC1
365627134	ZINC000623057019	ref	5.51	-85.3	2	319.453	1.117	3	2	6	CN(CCN1CC[NH2+]CC1)C(=O)Nc1cccc(C[NH+](C)C)c1
178296932	ZINC000104284833	ref	11.91	-6.79	0	247.341	4.663	0	1	3	Cc1cc2ccccc2n1C/C=C/c1ccccc1
365627147	ZINC000623057019	high	3.03	-47.08	1	319.453	1.117	2	3	6	CN(C)Cc1cccc(NC(=O)N(C)CCN2CC[NH2+]CC2)c1
365627156	ZINC000623057263	ref	2.26	-43.9	1	304.213	1.777	2	3	2	O=C(N[C@@H]1CCCC[NH2+]C1)c1ncc(Br)s1
365627167	ZINC000623056921	ref	2.71	-54.8	1	311.407	1.163	2	3	4	C[NH2+]C[C@H]1CCN(C(=O)Nc2ccc(S(C)(=O)=O)cc2)C1
365627173	ZINC000623057172	ref	3.7	-51.66	1	300.362	1.124	2	3	3	[NH3+]CC[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[nH]2)C1
178296936	ZINC000077255008	ref	5.66	-13.18	0	205.644	3.009	0	2	1	Cc1cc2ccc(Cl)cc2nc1C=O
178296940	ZINC000045069027	ref	5.56	-29.08	1	202.277	1.818	1	1	3	Cc1cc2ccccc2c[n+]1CCCO
178296950	ZINC000082766547	ref	6.01	-6.13	0	222.085	3.306	0	1	0	Cc1cc2ccccc2c(Br)n1
365627180	ZINC000623057172	mid	2.6	-77.0	0	300.362	1.124	1	3	3	[NH3+]CC[C@@H]1CCCN(C(=O)c2nc3ccccc3c(=O)[n-]2)C1
343994656	ZINC000599271382	low	6.23	-45.42	1	298.408	1.022	2	5	6	CCOC(=O)[C@@H]1CSCC[N@@H+]1C[C@@H](O)CC1(C#N)CC1
343994657	ZINC000599271382	low	7.39	-40.62	1	298.408	1.022	2	5	6	CCOC(=O)[C@@H]1CSCC[N@H+]1C[C@@H](O)CC1(C#N)CC1
192340108	ZINC000273863855	ref	3.26	-6.4	0	263.366	2.475	2	5	4	Cc1cnc(C)c(NC[C@](C)(O)c2cccs2)n1
178296914	ZINC000237084116	ref	0.48	-60.28	1	360.501	1.276	2	4	6	CCS(=O)(=O)c1cccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C[NH3+])c1
299072516	ZINC000567666961	ref	6.78	-49.26	1	258.365	2.02	1	1	3	Cc1ccc(C[C@H]2CCCN2C(=O)C2([NH3+])CC2)cc1
197600763	ZINC000162923244	ref	4.51	-23.16	0	320.418	2.58	3	4	5	CCNC(=O)C(C)(C)CNC(=O)Nc1nc2ccccc2s1
342085929	ZINC000625359734	ref	5.23	-36.82	1	276.38	1.566	3	2	5	C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)[C@H]1CO)c1ccccc1
343994659	ZINC000599271306	ref	5.96	-14.53	0	273.279	1.715	1	4	6	CCOC(=O)C[C@H](O)CN(C)c1ccc(F)c(F)c1
197600768	ZINC000162930620	ref	2.28	-10.71	0	313.195	2.018	2	3	1	C[C@]1(O)CCCN(C(=O)c2cc(N)ccc2Br)C1
343994662	ZINC000599271254	ref	4.38	-46.64	1	296.411	1.559	2	4	6	C[N@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCCO1
343994663	ZINC000599271254	mid	4.73	-44.44	1	296.411	1.559	2	4	6	C[N@@H+](C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCCO1
197600778	ZINC000162914677	ref	6.76	-11.26	0	316.357	1.799	1	4	2	COC(=O)[C@H]1CN(C(=O)c2[nH]c3ccc(C)cc3c2C)CCO1
197600780	ZINC000162927424	ref	7.07	-8.2	0	305.374	2.33	1	4	7	COC(=O)C[C@@H](C)C(=O)N(Cc1cccc(O)c1)CC1CC1
299072518	ZINC000567666961	high	6.69	-6.89	0	258.365	2.02	1	2	3	Cc1ccc(C[C@H]2CCCN2C(=O)C2(N)CC2)cc1
192340114	ZINC000273861500	ref	5.19	-8.51	0	282.34	1.72	1	6	8	COC[C@@H](CNc1ncccc1C(=O)OC(C)C)OC
133428089	ZINC000306430538	ref	2.66	-6.99	0	166.224	0.621	0	3	2	N#CCN1CCO[C@@H](C2CC2)C1
342085930	ZINC000625359734	mid	4.9	-32.48	1	276.38	1.566	3	2	5	C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CO)c1ccccc1
342085931	ZINC000625359734	high	2.43	-7.71	0	276.38	1.566	2	3	5	C[C@@H](NC(=O)CN1CC[C@@H](C)[C@H]1CO)c1ccccc1
342085932	ZINC000625360054	ref	0.89	-9.08	0	257.334	1.32	1	5	4	OC[C@H]1C[C@@H](F)CN1Cc1nnc(C2CC2)s1
342085933	ZINC000625360013	ref	6.02	-37.84	1	256.39	1.505	2	2	4	CO[C@H]1C[N@H+](CC(=O)NCC(C)(C)C)CC[C@H]1C
342085934	ZINC000625360013	mid	5.58	-37.22	1	256.39	1.505	2	2	4	CO[C@H]1C[N@@H+](CC(=O)NCC(C)(C)C)CC[C@H]1C
342085935	ZINC000625360013	mid	3.81	-8.12	0	256.39	1.505	1	3	4	CO[C@H]1CN(CC(=O)NCC(C)(C)C)CC[C@H]1C
342085936	ZINC000625358965	ref	0.65	-7.43	0	251.33	1.54	1	5	4	C[C@@H]1CCN(Cc2noc(C3CCC3)n2)[C@@H]1CO
178296917	ZINC000237091868	ref	5.64	-52.8	1	352.435	1.631	1	4	5	C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2cnn(-c3ccccc3F)c2)C1
178296920	ZINC000237091099	ref	4.77	-46.06	1	352.456	1.685	1	4	4	COC(=O)c1cc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)ccc1C
365627115	ZINC000576576053	ref	5.28	-102.54	2	237.347	0.196	2	1	4	O=C(C[NH2+][C@H]1CC[C@H]1C1CC1)N1CC[NH2+]CC1
178296922	ZINC000237088831	ref	5.25	-56.41	1	370.453	1.581	2	4	7	CN(C(=O)c1ccco1)c1ccccc1C(=O)NCCCN1CC[NH2+]CC1
230742426	ZINC000450476825	ref	5.76	-10.15	0	303.358	1.664	2	4	5	COC(=O)[C@@H](O)CNC(=O)C1=C(c2ccccc2)CCCC1
342600447	ZINC000616998831	ref	3.72	-40.86	1	286.441	1.091	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCSC2)C1
178296923	ZINC000237091123	ref	4.62	-49.62	1	356.419	1.516	1	4	4	COC(=O)c1cc(S(=O)(=O)N(C)C2C[C@@H]3CC[C@H](C2)[NH2+]3)ccc1F
178296925	ZINC000237084341	ref	6.7	-41.43	1	371.481	1.815	2	3	6	COc1ccccc1/C=C/C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178296927	ZINC000237083581	ref	0.99	-67.47	1	374.528	1.81	2	4	6	CCS(=O)(=O)c1cccc(S(=O)(=O)NCC2([NH3+])CCCCCC2)c1
178296930	ZINC000237095263	ref	1.44	-48.36	1	351.266	1.782	2	3	5	COc1cc(C)c(Br)cc1S(=O)(=O)NCC(C)(C)[NH3+]
178296933	ZINC000237089891	ref	2.47	-51.06	1	351.428	1.858	3	4	7	CC[NH2+]Cc1ccccc1NC(=O)c1cc(S(=O)(=O)NC)oc1C
178296937	ZINC000237089891	high	2.02	-61.03	0	351.428	1.858	2	4	7	CC[NH2+]Cc1ccccc1NC(=O)c1cc(S(=O)(=O)[N-]C)oc1C
178296941	ZINC000237083550	ref	3.35	-52.54	1	361.467	1.123	2	3	7	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1
398247616	ZINC000649442253	ref	4.46	-7.69	0	236.702	2.541	1	3	2	Cc1nn(C)cc1-c1ccc(CO)c(Cl)c1
178296944	ZINC000237083550	high	3.07	-13.98	0	361.467	1.123	2	4	7	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H](N)Cc1ccccc1
178296948	ZINC000237091233	ref	5.95	-55.79	1	365.499	1.604	1	3	4	C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)C1
178296951	ZINC000237091278	ref	3.21	-48.2	1	360.414	1.691	2	6	8	COc1ccccc1-c1noc([C@H](C)NC(=O)C[NH2+]C[C@H]2CCCO2)n1
197600760	ZINC000290115040	ref	7.21	-52.16	1	269.366	2.299	1	4	5	COC(=O)c1coc(C[NH2+]C[C@@H]2CCCSC2)c1
178296955	ZINC000237091278	high	1.88	-13.59	0	360.414	1.691	2	7	8	COc1ccccc1-c1noc([C@H](C)NC(=O)CNC[C@H]2CCCO2)n1
365627123	ZINC000576576053	mid	3.99	-40.13	1	237.347	0.196	2	2	4	O=C(C[NH2+][C@H]1CC[C@H]1C1CC1)N1CCNCC1
197600762	ZINC000290115040	high	6.02	-8.63	0	269.366	2.299	1	5	5	COC(=O)c1coc(CNC[C@@H]2CCCSC2)c1
343994658	ZINC000079936055	ref	7.71	-38.48	1	260.385	2.158	1	3	2	Cc1cc(N2CCC([NH+]3CCCC3)CC2)nc(C)n1
197600769	ZINC000290115729	ref	4.74	-10.19	0	275.352	2.195	2	3	3	O=C(Nc1cc(C2CC2)ccn1)N1CCC(CO)CC1
282121130	ZINC000449150544	ref	6.15	-54.55	-1	273.373	2.055	1	4	8	COC[C@H](C)CC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-]
214179413	ZINC000053365232	ref	7.61	-13.16	0	330.127	2.537	0	6	5	O=c1c(Cl)c(Cl)cnn1CCOc1ccccc1[N+](=O)[O-]
342085937	ZINC000625358965	low	2.59	-31.14	1	251.33	1.54	2	4	4	C[C@@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@@H]1CO
342085938	ZINC000625358965	low	2.89	-28.27	1	251.33	1.54	2	4	4	C[C@@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@@H]1CO
342085939	ZINC000625359921	ref	4.3	-35.14	1	271.401	1.663	2	3	5	C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CCOC1CCOCC1
214179418	ZINC000053365318	ref	3.39	-20.57	0	328.372	0.509	1	5	3	C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)Cn1c(=O)cnc2ccccc21
222609432	ZINC000291777827	ref	1.99	-9.83	0	312.41	2.076	3	4	7	COCC(C)(C)CNC(=O)NC[C@](C)(O)c1cc(C)oc1C
342085940	ZINC000625359921	mid	5.14	-31.78	1	271.401	1.663	2	3	5	C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1CCOC1CCOCC1
342085941	ZINC000625359920	ref	4.09	-35.14	1	271.401	1.663	2	3	5	C[C@@H]1CC[N@H+](CCOC2CCOCC2)[C@@H]([C@@H](C)O)C1
342085942	ZINC000625359920	mid	4.57	-32.74	1	271.401	1.663	2	3	5	C[C@@H]1CC[N@@H+](CCOC2CCOCC2)[C@@H]([C@@H](C)O)C1
342085943	ZINC000625359912	ref	5.68	-33.98	1	257.374	1.539	1	3	5	CO[C@H]1C[N@H+](CCOC2CCOCC2)CC[C@H]1C
342085944	ZINC000625359912	mid	5.22	-35.07	1	257.374	1.539	1	3	5	CO[C@H]1C[N@@H+](CCOC2CCOCC2)CC[C@H]1C
342085945	ZINC000625359912	high	3.32	-3.61	0	257.374	1.539	0	4	5	CO[C@H]1CN(CCOC2CCOCC2)CC[C@H]1C
342085946	ZINC000625359133	ref	3.22	-40.08	1	251.33	1.486	0	5	4	CC[C@@]1(C)CN(Cc2cncc(OC)n2)CCO1
342085947	ZINC000625359133	low	2.59	-39.65	1	251.33	1.486	1	4	4	CC[C@@]1(C)C[N@H+](Cc2cncc(OC)n2)CCO1
342085948	ZINC000625359133	low	3.22	-40.08	1	251.33	1.486	1	4	4	CC[C@@]1(C)C[N@@H+](Cc2cncc(OC)n2)CCO1
342085949	ZINC000625360237	ref	6.26	-17.24	0	284.266	1.801	1	5	6	CCn1cnnc1CCNC(=O)c1ccc(C(F)F)o1
342085950	ZINC000625359011	ref	3.11	-57.64	0	278.356	1.175	3	3	4	C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC(=O)c1cc(=O)[nH]cn1
342085951	ZINC000625359011	mid	2.73	-58.85	0	278.356	1.175	3	3	4	C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)c1cc(=O)[nH]cn1
342085952	ZINC000625359011	high	3.11	-57.64	0	278.356	1.175	2	3	4	C[C@H]1CCC[C@@H](C)[N@@H+]1CCNC(=O)c1cc(=O)[n-]cn1
178296926	ZINC000082791467	mid	6.74	-45.81	-1	273.254	2.537	0	3	2	C[C@H](C(=O)[O-])N1CCc2c(cccc2C(F)(F)F)C1
282121131	ZINC000263093285	ref	8.73	-35.47	0	255.402	3.292	1	2	6	CCC(CC)(C[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C)C(=O)[O-]
342085953	ZINC000625359011	high	2.73	-58.85	0	278.356	1.175	2	3	4	C[C@H]1CCC[C@@H](C)[N@H+]1CCNC(=O)c1cc(=O)[n-]cn1
192340116	ZINC000273864661	ref	5.19	-8.92	0	250.273	2.725	0	4	5	CC(C)OCc1nc(Cc2ccccc2F)no1
214179414	ZINC000278477368	ref	-0.7	-10.52	0	323.871	1.407	2	4	5	NS(=O)(=O)NC[C@@H]1CCCN(Cc2sccc2Cl)C1
192340119	ZINC000273864818	ref	5.4	-11.18	0	294.376	3.065	0	6	7	c1coc(CSCc2noc(CC[C@@H]3CCOC3)n2)c1
342085954	ZINC000625359959	ref	1.27	-35.93	1	265.357	1.466	2	4	4	COc1cncc(C[N@@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)n1
342085955	ZINC000625359959	mid	2.09	-33.16	1	265.357	1.466	2	4	4	COc1cncc(C[N@H+]2CC[C@H](C)C[C@H]2[C@H](C)O)n1
342085956	ZINC000625359959	mid	-0.58	-4.84	0	265.357	1.466	1	5	4	COc1cncc(CN2CC[C@H](C)C[C@H]2[C@H](C)O)n1
342085957	ZINC000625358967	ref	0.37	-6.88	0	251.33	1.54	1	5	4	C[C@H]1CCN(Cc2noc(C3CCC3)n2)[C@H]1CO
192340122	ZINC000273864910	ref	5.56	-8.1	0	269.304	3.244	1	4	3	COC1(c2nc(-c3ccc4cc[nH]c4c3)no2)CCC1
192340126	ZINC000273861451	ref	2.99	-18.37	0	254.286	1.678	0	4	4	C[S@](=O)Cc1noc(Cc2ccccc2F)n1
192340130	ZINC000273861575	ref	6.87	-11.17	0	279.321	3.377	0	6	4	CS[C@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1
342085958	ZINC000625358967	low	2.75	-28.2	1	251.33	1.54	2	4	4	C[C@H]1CC[N@H+](Cc2noc(C3CCC3)n2)[C@H]1CO
343994660	ZINC000079936055	mid	8.11	-76.05	2	260.385	2.158	1	2	2	Cc1cc(N2CCC([NH+]3CCCC3)CC2)nc(C)[nH+]1
343994661	ZINC000079921246	ref	7.24	-56.9	1	275.4	2.392	2	3	6	Cc1nccn1CCC[NH2+]Cc1c[nH]nc1C(C)(C)C
343994664	ZINC000079921246	mid	7.71	-100.91	2	275.4	2.392	2	2	6	Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1C(C)(C)C
343994666	ZINC000079921246	high	6.59	-12.17	0	275.4	2.392	2	4	6	Cc1nccn1CCCNCc1c[nH]nc1C(C)(C)C
342085959	ZINC000625358967	low	2.93	-28.32	1	251.33	1.54	2	4	4	C[C@H]1CC[N@@H+](Cc2noc(C3CCC3)n2)[C@H]1CO
342085960	ZINC000625359719	ref	8.87	-10.39	0	279.315	1.972	0	4	6	CCOCCN(CC)C(=O)c1ncc2c(F)cccn12
342085961	ZINC000625360487	ref	4.04	-7.85	0	284.4	1.029	1	4	6	CC(C)C[C@H]1C(=O)NCCN1CCOC1CCOCC1
342085962	ZINC000625360487	mid	3.91	-43.87	1	284.4	1.029	2	3	6	CC(C)C[C@H]1C(=O)NCC[N@H+]1CCOC1CCOCC1
342085963	ZINC000625360487	mid	4.28	-43.62	1	284.4	1.029	2	3	6	CC(C)C[C@H]1C(=O)NCC[N@@H+]1CCOC1CCOCC1
230742429	ZINC000450476451	ref	6.02	-11.1	0	315.373	1.738	1	6	4	COc1ccc(-c2ccnc(N3C[C@H](C)O[C@H](CO)C3)n2)cc1
342085964	ZINC000625360033	ref	0.17	-4.82	0	251.33	1.342	0	5	4	COc1cncc(CN2CC[C@@H](C)[C@H](OC)C2)n1
342085965	ZINC000625360033	mid	2.61	-39.49	1	251.33	1.342	1	4	4	COc1cncc(C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)n1
342085966	ZINC000625360033	mid	3.18	-37.2	1	251.33	1.342	1	4	4	COc1cncc(C[N@H+]2CC[C@@H](C)[C@H](OC)C2)n1
178296953	ZINC000082791831	ref	10.02	-40.61	1	259.349	2.774	1	2	2	COC(=O)c1ccc2c(c1)C[N@H+](C1CCCC1)CC2
365627118	ZINC000625049915	ref	6.83	-12.14	0	319.43	2.295	0	4	3	Cc1ncc(S(=O)(=O)N2CC[C@H](c3ccccc3)[C@H]2C)n1C
365627127	ZINC000625045201	ref	4.84	-15.9	0	318.483	2.133	1	3	7	CCC(C)(C)CS(=O)(=O)NCC(=O)N(C)C1CCCCC1
365627138	ZINC000625045558	ref	5.55	-9.55	0	313.394	2.476	0	3	2	CC1(C)C[C@H](S(=O)(=O)N2CCCc3c(F)cccc32)CO1
365627144	ZINC000625048354	ref	7.75	-19.62	0	319.449	2.361	1	2	3	O=C(N[C@@H]1CCN(C2CCC2)C1=O)N1CC[C@@H](C2CCCC2)C1
178296956	ZINC000082791831	mid	10.02	-40.6	1	259.349	2.774	1	2	2	COC(=O)c1ccc2c(c1)C[N@@H+](C1CCCC1)CC2
178296957	ZINC000082791831	high	7.85	-5.87	0	259.349	2.774	0	3	2	COC(=O)c1ccc2c(c1)CN(C1CCCC1)CC2
282121132	ZINC000533464581	ref	6.77	-7.64	0	273.398	1.978	1	4	7	CCOC(=O)C1(CNC(=O)[C@@H](CC)SC)CCC1
282121138	ZINC000533455330	ref	4.81	-6.82	0	280.372	1.782	2	4	4	CC[C@@H](NC(=O)C(=O)Nc1ccnn1CC)C(C)(C)C
282121146	ZINC000533462434	ref	4.17	-42.63	1	298.427	1.155	3	3	3	CC(C)(C)C(=O)N[C@@H]1CCC[N@H+](CC2(O)CCOCC2)C1
230742444	ZINC000450476237	ref	8.93	-13.26	0	319.409	1.737	0	7	9	CCOCCOCCN(C)c1ccc2nnc([C@@H]3C[C@H]3C)n2n1
282121150	ZINC000533462434	mid	4.7	-44.54	1	298.427	1.155	3	3	3	CC(C)(C)C(=O)N[C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1
178296965	ZINC000082791378	ref	6.19	-66.58	0	290.363	1.075	1	4	4	O=C([O-])c1cccc2c1CC[N@H+](CCN1CCOCC1)C2
178296967	ZINC000082791378	mid	6.18	-67.17	0	290.363	1.075	1	4	4	O=C([O-])c1cccc2c1CC[N@@H+](CCN1CCOCC1)C2
178296969	ZINC000082791378	mid	3.89	-51.55	-1	290.363	1.075	0	5	4	O=C([O-])c1cccc2c1CCN(CCN1CCOCC1)C2
342085967	ZINC000625359742	ref	8.01	-12.86	0	279.384	1.639	0	4	6	CCOCCN(CC)C(=O)[C@H]1CCn2cc(C)nc2C1
342085968	ZINC000625359742	low	8.43	-33.52	1	279.384	1.639	0	3	6	CCOCCN(CC)C(=O)[C@H]1CCn2cc(C)[nH+]c2C1
342085969	ZINC000625359732	ref	4.62	-36.81	1	276.38	1.566	3	2	5	C[C@H]1CC[N@@H+](CC(=O)N[C@H](C)c2ccccc2)[C@H]1CO
306234568	ZINC000557848219	ref	1.73	-12.94	0	326.422	1.861	1	5	5	O=S(=O)(NC1CC1)N1CCCC[C@H]1c1nnc(C2CCC2)o1
365627119	ZINC000354693147	ref	5.1	-4.82	0	284.4	1.421	1	3	5	CC(C)CN(CC(C)C)C(=O)C(=O)N[C@@H]1CCO[C@H]1C
342600448	ZINC000616998831	mid	3.78	-41.32	1	286.441	1.091	3	3	3	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CCSC2)C1
342600658	ZINC000617003055	mid	5.1	-36.83	1	293.415	1.709	2	4	4	CC(C)n1cc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)nn1
342600659	ZINC000590862252	ref	5.5	-41.21	1	297.443	1.662	3	2	4	CC[C@H](C)[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1
365627129	ZINC000354693353	ref	5.14	-14.73	0	282.303	1.012	1	4	3	O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)c1cncnc1
306234569	ZINC000557843017	ref	4.52	-114.77	2	336.48	1.465	4	2	5	CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1
342600660	ZINC000590862252	mid	3.0	-9.35	0	297.443	1.662	2	3	4	CC[C@H](C)[C@H](C)NC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1
365627139	ZINC000354692289	ref	7.36	-16.32	0	272.352	1.967	1	4	5	CCc1ccc(C(=O)N[C@H](C)Cn2ccnc2)c(C)n1
342600661	ZINC000590861292	ref	8.1	-16.4	0	287.331	1.305	0	4	5	COC(=O)[C@@H]1C[C@H](F)CN1C(=O)COCC1CCCC1
342600662	ZINC000590841787	ref	-0.84	-16.82	0	295.314	1.35	4	3	3	NC(=O)c1cc(NC(=O)N[C@H]2CCCC[C@@H]2O)ccc1F
342600663	ZINC000590862120	ref	6.73	-15.2	0	289.339	1.726	1	5	3	Cc1cc(CNC(=O)N2CCC(n3ccnc3)CC2)no1
365627146	ZINC000354692289	low	7.87	-45.8	1	272.352	1.967	1	3	5	CCc1ccc(C(=O)N[C@H](C)Cn2cc[nH+]c2)c(C)n1
365627153	ZINC000354692096	ref	5.54	-17.99	0	283.291	1.543	2	5	4	COc1ccc(CC(=O)Nc2nc3cccnc3[nH]2)nc1
342600664	ZINC000590862120	low	7.41	-42.81	1	289.339	1.726	1	4	3	Cc1cc(CNC(=O)N2CCC(n3cc[nH+]c3)CC2)no1
342600665	ZINC000590860976	ref	4.46	-40.28	1	297.443	1.423	4	2	6	C[C@H]1C[C@@H](C)C[N@H+](C[C@H](C)NC(=O)NC[C@@H](O)C2CC2)C1
342600666	ZINC000590860976	mid	4.59	-40.66	1	297.443	1.423	4	2	6	C[C@H]1C[C@@H](C)C[N@@H+](C[C@H](C)NC(=O)NC[C@@H](O)C2CC2)C1
342600667	ZINC000617002921	ref	5.33	-41.54	1	281.425	1.922	2	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)Cc2cscn2)C1
230742449	ZINC000425582407	ref	5.05	-10.83	0	300.362	2.217	1	4	6	CCN(Cc1ccccc1)C(=O)NCc1nccc(OC)n1
342600668	ZINC000617002921	mid	5.29	-40.93	1	281.425	1.922	2	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Cc2cscn2)C1
342600669	ZINC000617003193	ref	5.87	-41.19	1	280.412	1.814	2	2	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1
178296954	ZINC000075260896	ref	9.72	-8.94	0	247.297	3.774	0	2	2	Cc1cc2ccccc2c(C(=O)c2ccccc2)n1
178296959	ZINC000011633998	ref	5.0	-5.14	0	207.664	2.482	2	2	0	Cc1cc2ccc(Cl)cc2[nH]c1=NN
178296961	ZINC000302030707	ref	9.39	-23.95	1	238.334	4.064	1	1	2	Cc1cc2ccccc2c(N[C@H]2CC=CCC2)[nH+]1
178296968	ZINC000302030707	mid	9.08	-6.07	0	238.334	4.064	1	2	2	Cc1cc2ccccc2c(N[C@H]2CC=CCC2)n1
178296972	ZINC000302035983	ref	10.23	-21.89	1	240.35	3.78	0	1	1	Cc1cc2ccccc2c(N2CCC(C)(C)C2)[nH+]1
282121134	ZINC000151618036	ref	5.09	-10.61	0	323.82	2.349	2	3	5	O=C(NCC1(CO)CCOCC1)[C@@H]1C[C@H]1c1cccc(Cl)c1
178296977	ZINC000302035983	mid	9.8	-6.58	0	240.35	3.78	0	2	1	Cc1cc2ccccc2c(N2CCC(C)(C)C2)n1
178296982	ZINC000302020749	ref	6.73	-28.89	1	242.322	2.992	1	2	3	Cc1cc2ccccc2c(NCC2(C)COC2)[nH+]1
178296986	ZINC000302020749	mid	6.4	-7.11	0	242.322	2.992	1	3	3	Cc1cc2ccccc2c(NCC2(C)COC2)n1
398247617	ZINC000651455835	ref	7.56	-44.91	1	273.355	3.283	2	1	5	Cc1n[nH]cc1[C@@H](C)[NH2+]C1(Cc2ccc(F)cc2)CC1
365627121	ZINC000336546198	mid	8.5	-38.51	1	283.375	2.365	2	1	3	O=C1CCCN1[C@@H]1CC[N@@H+](Cc2cccc3cc[nH]c23)C1
168365568	ZINC000368508390	low	8.29	-48.73	1	333.378	3.462	2	2	5	O[C@H](CC[N@@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1
178296996	ZINC000302056784	ref	5.81	-23.66	1	228.295	2.114	1	2	1	Cc1cc2ccccc2c(N2CC[C@@H](O)C2)[nH+]1
178296999	ZINC000302056784	mid	5.39	-9.55	0	228.295	2.114	1	3	1	Cc1cc2ccccc2c(N2CC[C@@H](O)C2)n1
342085970	ZINC000625359732	mid	4.87	-32.54	1	276.38	1.566	3	2	5	C[C@H]1CC[N@H+](CC(=O)N[C@H](C)c2ccccc2)[C@H]1CO
342085971	ZINC000625359732	high	2.71	-8.66	0	276.38	1.566	2	3	5	C[C@H]1CCN(CC(=O)N[C@H](C)c2ccccc2)[C@H]1CO
222609431	ZINC000222500824	ref	5.53	-17.68	0	396.896	2.853	1	4	7	Cc1ccc(OCCNC(=O)c2cc(N(C)S(C)(=O)=O)ccc2Cl)cc1
343994665	ZINC000599271254	high	2.42	-9.62	0	296.411	1.559	1	5	6	CN(C[C@@H](O)CC1(C#N)CCOCC1)C[C@H]1CCCCO1
365627126	ZINC000336546198	high	6.08	-13.62	0	283.375	2.365	1	2	3	O=C1CCCN1[C@@H]1CCN(Cc2cccc3cc[nH]c23)C1
168365570	ZINC000368508390	low	7.87	-49.28	1	333.378	3.462	2	2	5	O[C@H](CC[N@H+]1CCO[C@H](c2ccc(F)c(F)c2)C1)c1ccccc1
168365572	ZINC000368503022	ref	8.67	-106.41	2	344.421	3.244	3	1	6	C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1
342600449	ZINC000616999953	ref	5.89	-38.6	1	280.412	1.65	2	2	3	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@]23CCOC3)C1
342600450	ZINC000616999953	mid	5.85	-38.06	1	280.412	1.65	2	2	3	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@]23CCOC3)C1
342600451	ZINC000590840969	ref	4.97	-13.13	0	283.347	1.839	1	3	2	CC1(C)C[C@H](CNC(=O)N2CC[C@@](F)(C#N)C2)CCO1
342600452	ZINC000194694629	ref	2.16	-10.15	0	260.297	1.569	2	4	2	C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc2n[nH]nc2c1
136228735	ZINC000285379898	mid	6.68	-37.91	1	247.338	2.696	2	2	6	C=CCC[C@H](O)C[N@H+]1CCC=C(c2ccco2)C1
185091403	ZINC000096080553	ref	0.68	-13.51	0	294.358	1.433	0	4	3	O=C(c1ccncc1)N1C[C@@H]2CN(Cc3ccncc3)[C@H]2C1
185091405	ZINC000096080553	low	6.08	-60.24	1	294.358	1.433	1	3	3	O=C(c1ccncc1)N1C[C@@H]2C[N@H+](Cc3ccncc3)[C@H]2C1
342600453	ZINC000194694629	mid	2.15	-10.82	0	260.297	1.569	2	4	2	C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc2[nH]nnc2c1
342600454	ZINC000194694629	low	2.06	-11.98	0	260.297	1.569	2	4	2	C[C@@H]1COCC[C@@H]1C(=O)Nc1ccc2nn[nH]c2c1
214179416	ZINC000293500961	ref	2.76	-14.54	0	352.387	0.843	3	6	7	CC[C@@H](NC(=O)C(=O)Nc1cccc(OCC(=O)OC)c1)C(C)(C)O
185091407	ZINC000096080553	low	5.52	-59.85	1	294.358	1.433	1	3	3	O=C(c1ccncc1)N1C[C@@H]2C[N@@H+](Cc3ccncc3)[C@H]2C1
136228736	ZINC000285379898	high	4.37	-6.04	0	247.338	2.696	1	3	6	C=CCC[C@H](O)CN1CCC=C(c2ccco2)C1
136228737	ZINC000285181835	ref	7.7	-28.96	1	231.343	2.118	3	2	4	C[C@@H](CCNC1=[NH+]C[C@@H](C)N1)c1ccccc1
230235388	ZINC000336801141	ref	-6.87	-15.83	0	292.361	-2.015	3	7	9	Cn1cc(S(=O)(=O)NCCN(CCO)CCO)cn1
230235394	ZINC000336801141	mid	-4.58	-46.01	1	292.361	-2.015	4	6	9	Cn1cc(S(=O)(=O)NCC[NH+](CCO)CCO)cn1
230235399	ZINC000336789407	ref	-1.24	-13.54	0	282.362	-1.106	1	5	8	CCN(CCOCCO)S(=O)(=O)N1CCOCC1
230235408	ZINC000336790506	ref	-4.27	-17.36	0	280.346	-1.335	2	5	6	COCCCS(=O)(=O)N1CCC[C@@](O)(C(N)=O)C1
230235418	ZINC000334091871	ref	-1.57	-24.71	0	273.314	-1.038	3	4	5	CNS(=O)(=O)CCNC(=O)c1c[nH]cc(C)c1=O
230235429	ZINC000334250678	ref	0.46	-12.67	0	256.306	-1.005	2	3	3	CCNC(=O)CNC(=O)N1CC(=O)N(C)[C@@H](C)C1
230235448	ZINC000336728237	ref	-4.03	-15.42	0	265.335	-1.505	2	4	5	CCN(CC)S(=O)(=O)N1CC[C@@](O)(C(N)=O)C1
230235455	ZINC000336814122	ref	-2.08	-20.36	0	269.301	-1.696	2	4	3	CCN1C[C@H](C(=O)N2CC[C@](O)(C(N)=O)C2)CC1=O
230235460	ZINC000336807900	ref	-3.65	-18.41	0	292.357	-1.193	2	5	4	NC(=O)[C@@]1(O)CCCN(S(=O)(=O)C[C@@H]2CCCO2)C1
214179417	ZINC000278477368	mid	2.02	-45.39	1	323.871	1.407	3	3	5	NS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2sccc2Cl)C1
365627128	ZINC000617396420	ref	4.09	-9.48	0	282.384	0.735	0	4	3	CCN1CCO[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
342600455	ZINC000590851504	ref	1.56	-18.7	0	286.295	1.865	2	6	5	Cc1noc(-c2ccc(NC(=O)NCCCC#N)cn2)n1
342600456	ZINC000590841379	ref	6.13	-23.03	0	255.281	1.63	1	4	1	Cc1cc(NC(=O)N2CC(C#N)C2)cn2ccnc12
365627137	ZINC000617396420	mid	6.52	-47.83	1	282.384	0.735	1	3	3	CC[N@@H+]1CCO[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
349533788	ZINC000621226263	ref	4.48	-9.58	0	275.274	2.493	1	3	4	Cc1cc(C(=O)NCC(C)(C)CC(F)(F)F)cnn1
342600457	ZINC000590841379	mid	6.62	-40.99	1	255.281	1.63	1	3	1	Cc1cc(NC(=O)N2CC(C#N)C2)cn2cc[nH+]c12
192340118	ZINC000081926397	mid	3.33	-10.49	0	311.428	2.491	1	5	6	CN[C@@H](CS(=O)(=O)c1cccs1)c1ccc(OC)cc1
192340121	ZINC000081925286	ref	7.83	-8.5	0	323.458	3.07	0	4	6	COCCCOc1cccc(C(=O)N2CCSC(C)(C)C2)c1
192340123	ZINC000081924174	ref	2.4	-13.07	0	315.435	2.178	1	5	6	CN[C@H](CS(=O)(=O)C(C)(C)C)c1cc(OC)ccc1OC
178296958	ZINC000237083684	ref	6.74	-55.34	-1	351.794	1.781	1	7	7	CC[C@H](C(=O)NC[C@H](C)C(=O)[O-])n1nnc(-c2ccc(Cl)cc2)n1
230742458	ZINC000425583411	ref	7.13	-15.39	0	316.38	2.288	2	3	5	C[C@H](Cc1cnn(C)c1)NC(=O)N[C@H]1C[C@@]1(F)c1ccccc1
342600458	ZINC000590840972	ref	4.97	-13.17	0	283.347	1.839	1	3	2	CC1(C)C[C@@H](CNC(=O)N2CC[C@@](F)(C#N)C2)CCO1
282121135	ZINC000449150433	ref	3.4	-11.58	0	284.363	2.228	2	4	5	CC(C)[C@H](CNC(=O)c1ccc(N)cn1)c1cccnc1
342600459	ZINC000590840970	ref	4.94	-12.82	0	283.347	1.839	1	3	2	CC1(C)C[C@@H](CNC(=O)N2CC[C@](F)(C#N)C2)CCO1
342600460	ZINC000616999950	ref	4.92	-37.18	1	291.395	1.946	3	3	3	Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(O)c1
214179420	ZINC000278477368	mid	1.81	-45.41	1	323.871	1.407	3	3	5	NS(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2sccc2Cl)C1
365627141	ZINC000617396420	mid	6.33	-40.73	1	282.384	0.735	1	3	3	CC[N@H+]1CCO[C@H](C(=O)N2CCO[C@@](C)(C3CC3)C2)C1
192340125	ZINC000081924174	mid	3.5	-38.46	1	315.435	2.178	1	4	6	C[NH2+][C@H](CS(=O)(=O)C(C)(C)C)c1cc(OC)ccc1OC
192340128	ZINC000081927815	ref	10.12	-8.88	0	311.397	3.422	0	2	2	CC1(C)CN(C(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)CCS1
192340131	ZINC000081922948	ref	3.11	-11.9	0	307.346	2.06	1	4	2	N[C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)c1ccccc1F
192340134	ZINC000081922948	mid	3.43	-45.01	1	307.346	2.06	1	3	2	[NH3+][C@@H]1c2ccccc2OC[C@@H]1S(=O)(=O)c1ccccc1F
365627130	ZINC000641593843	low	4.49	-42.8	1	292.445	1.013	1	3	5	CO[C@@H](CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1)C(C)C
365627136	ZINC000641593843	low	4.35	-44.91	1	292.445	1.013	1	3	5	CO[C@@H](CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1)C(C)C
365627142	ZINC000641593842	ref	4.62	-46.32	1	292.445	1.013	0	4	5	CO[C@H](CS(=O)(=O)N1CCN(C)C(C)(C)C1)C(C)C
365627148	ZINC000641593842	low	4.72	-43.57	1	292.445	1.013	1	3	5	CO[C@H](CS(=O)(=O)N1CC[N@H+](C)C(C)(C)C1)C(C)C
365627152	ZINC000641593842	low	4.62	-46.32	1	292.445	1.013	1	3	5	CO[C@H](CS(=O)(=O)N1CC[N@@H+](C)C(C)(C)C1)C(C)C
365627160	ZINC000641594087	ref	3.55	-15.71	0	274.324	1.237	2	5	3	C[C@@H]1COCC[C@H]1CNc1ccc2nc[nH]c(=O)c2n1
178296962	ZINC000237082872	ref	3.37	-52.55	1	365.499	1.474	2	3	6	CN(C)S(=O)(=O)c1ccccc1CNC(=O)CC1C[C@@H]2CC[C@H](C1)[NH2+]2
365627168	ZINC000641593601	ref	3.13	-16.47	0	296.392	1.283	1	4	6	O=S(=O)(C[C@H]1CCCO1)NC[C@@H]1C[C@H]1c1cccnc1
365627176	ZINC000641593877	ref	5.84	-42.09	1	286.383	1.407	1	5	3	CC[N@@H+]1CCN(c2ccc(-c3ccnn3C)nn2)[C@H](C)C1
178296966	ZINC000237091411	ref	6.99	-51.62	1	366.483	1.934	1	4	6	COC(=O)c1cc(S(=O)(=O)N2CCC([NH2+]CC3CC3)CC2)ccc1C
365627181	ZINC000641593877	mid	6.24	-42.74	1	286.383	1.407	1	5	3	CC[N@H+]1CCN(c2ccc(-c3ccnn3C)nn2)[C@H](C)C1
178296971	ZINC000237083785	ref	1.29	-68.4	1	368.48	1.458	2	4	7	CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)c1
178296975	ZINC000237083785	high	0.88	-18.06	0	368.48	1.458	2	5	7	CCS(=O)(=O)c1cccc(S(=O)(=O)NC[C@@H](N)c2ccccc2)c1
178296979	ZINC000237095342	ref	1.55	-65.27	1	362.879	1.159	2	4	9	CCOc1ccc(Cl)cc1CCNC(=O)[C@H]([NH3+])CCS(C)(=O)=O
178296981	ZINC000237095342	mid	1.25	-19.1	0	362.879	1.159	2	5	9	CCOc1ccc(Cl)cc1CCNC(=O)[C@H](N)CCS(C)(=O)=O
178296985	ZINC000237084191	ref	4.68	-49.89	1	373.478	1.268	2	3	5	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1
178296990	ZINC000237084191	mid	3.37	-14.71	0	373.478	1.268	2	4	5	CN(C)S(=O)(=O)c1ccccc1CNC(=O)[C@@H]1Cc2ccccc2CN1
178296992	ZINC000237088395	ref	7.59	-43.2	1	374.222	1.88	1	2	5	C[NH2+]C[C@@H]1CCCN1C(=O)COc1ccc(I)cc1
178296994	ZINC000237083289	ref	2.8	-42.6	1	355.504	1.753	3	3	7	CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1S(=O)(=O)NC(C)(C)C
365627190	ZINC000641593877	mid	3.42	-9.68	0	286.383	1.407	0	6	3	CCN1CCN(c2ccc(-c3ccnn3C)nn2)[C@H](C)C1
365627194	ZINC000641594097	ref	7.42	-12.02	0	296.33	1.305	1	5	5	Cc1cncnc1NCCCN1C(=O)c2ccccc2C1=O
365650172	ZINC000617487203	ref	-1.87	-12.1	0	274.28	0.909	3	4	5	NC(=O)c1coc(CNC(=O)c2cc[nH]c2C2CC2)n1
230762559	ZINC000450599217	ref	7.43	-50.23	1	318.364	1.423	2	3	6	CCOC(=O)CNC(=O)C1CC[NH+](CC2CC(F)(F)C2)CC1
398249709	ZINC000335894217	ref	6.41	-8.22	0	227.292	2.641	0	4	3	N#Cc1ccc(SCc2ccccn2)nc1
190495079	ZINC000269445408	ref	2.88	-10.24	0	252.289	2.027	3	2	4	Cc1cc(F)cc(NC(=O)NC[C@H](O)C2CC2)c1
230762562	ZINC000450599260	ref	5.63	-8.92	0	320.414	1.672	1	4	5	CO[C@@H](Cc1ccccc1)CN1C(=O)N[C@@]2(CCSC2)C1=O
349535988	ZINC000621246085	mid	2.62	-43.4	1	266.389	2.048	2	4	6	CC(C)C[C@@H](N)c1noc(CC[C@H]2CCC[NH2+]C2)n1
349535994	ZINC000621245042	ref	6.28	-11.39	0	288.347	2.357	1	3	4	O=C(NCc1ccc2c(c1)OCO2)N1CC(CC2CC2)C1
342602490	ZINC000617005310	ref	5.98	-35.04	1	265.332	1.823	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ncccc1F
342602491	ZINC000617005310	mid	4.46	-38.14	1	265.332	1.823	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ncccc1F
365650177	ZINC000617486951	ref	-2.55	-9.85	0	281.312	0.595	2	5	6	C[C@@H](CC(=O)NCc1nc(C(N)=O)co1)[C@@H]1CCCO1
365650182	ZINC000617487033	ref	-2.23	-12.21	0	269.301	0.451	2	5	7	CC[C@@H](C)[C@@H](OC)C(=O)NCc1nc(C(N)=O)co1
365650186	ZINC000617487020	ref	-3.22	-12.54	0	279.296	0.205	2	5	4	CC1(C)OC[C@@H]2C[C@@]21C(=O)NCc1nc(C(N)=O)co1
342602492	ZINC000617005310	mid	2.9	-11.96	0	265.332	1.823	1	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1ncccc1F
365650192	ZINC000617486881	ref	-2.76	-14.95	0	261.228	0.681	2	4	5	C[C@@H](C(=O)NCc1nc(C(N)=O)co1)C(C)(F)F
342602493	ZINC000590874991	ref	3.68	-7.84	0	294.326	1.758	2	3	4	Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCCO2)ccc1F
349535999	ZINC000621245421	ref	3.95	-7.28	0	263.341	2.034	1	3	5	C=CCNC(=O)N(C)Cc1c(C)cc(C)nc1OC
342602494	ZINC000617004858	ref	4.55	-44.2	1	295.427	1.282	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC(=O)N2)C1
230762577	ZINC000450598666	ref	6.9	-10.26	0	321.417	1.944	1	4	8	CCO[C@@H]1COCC[C@@H]1NC(=O)[C@@H](C)OCCc1ccccc1
349536004	ZINC000621244682	ref	5.99	-9.81	0	274.364	2.149	1	2	3	CC1(c2ccccc2)CN(C(=O)NC[C@@H]2CCCO2)C1
365650198	ZINC000617486999	ref	-1.8	-11.24	0	277.28	0.861	2	5	6	C[C@@H](Cc1ccco1)C(=O)NCc1nc(C(N)=O)co1
365650203	ZINC000617486851	ref	-3.13	-13.51	0	264.241	0.254	2	6	5	CCc1nocc1C(=O)NCc1nc(C(N)=O)co1
365650206	ZINC000617486852	ref	-1.97	-11.63	0	267.285	0.205	2	5	6	CO[C@H](C(=O)NCc1nc(C(N)=O)co1)C1CCC1
365650187	ZINC000625121023	mid	5.32	-36.73	1	320.437	2.002	2	4	7	CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cncc(OC)n2)C1
365650190	ZINC000625121023	mid	4.48	-41.18	1	320.437	2.002	2	4	7	CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1
365650193	ZINC000625120539	ref	3.53	-11.96	0	308.35	2.144	0	4	7	CCN(CC(F)F)S(=O)(=O)c1cncc(OC(C)C)c1
214200816	ZINC000293790589	ref	3.41	-15.41	0	362.43	0.906	1	7	10	CCN(C[C@H](O)COc1ccc(CCOC)cc1)C(=O)c1cnnn1C
214200821	ZINC000293785247	ref	1.65	-19.6	0	371.39	0.076	2	6	4	CCOC(=O)[C@@H](F)C1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1
342602495	ZINC000617004858	mid	4.61	-44.68	1	295.427	1.282	3	2	5	CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC(=O)N2)C1
214200825	ZINC000293791999	ref	6.12	-34.63	1	363.458	0.229	2	5	4	CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)[C@H]2C1
222609470	ZINC000222502084	ref	11.79	-18.45	0	396.531	4.014	1	3	9	CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc(C)c1
365650197	ZINC000625119534	ref	8.33	-23.9	0	314.389	2.299	2	4	5	CCCn1c(NC(=O)[C@@H](C)[C@@H]2CCC(=O)N2)nc2ccccc21
365650201	ZINC000625121721	ref	5.26	-10.15	0	307.481	2.007	1	4	8	CCO[C@@H](CS(=O)(=O)NC[C@@H]1CCCCS1)C1CC1
365650205	ZINC000625119645	ref	5.87	-9.59	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1CC[C@@H](C(C)(C)C)C1)C1CC1
365650209	ZINC000625120418	ref	8.96	-85.35	2	323.525	2.292	2	2	8	CCO[C@H](C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1
214200827	ZINC000293791999	mid	5.89	-40.16	1	363.458	0.229	2	5	4	CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)[C@H]2C1
342602496	ZINC000590875497	ref	4.69	-14.32	0	297.424	1.735	1	3	3	CCCc1cc(C(=O)N2CC[S@@](=O)C(C)(C)CC2)[nH]n1
342602497	ZINC000590875497	mid	4.84	-14.01	0	297.424	1.735	1	3	3	CCCc1cc(C(=O)N2CC[S@@](=O)C(C)(C)CC2)n[nH]1
342602498	ZINC000617004865	ref	5.75	-40.64	1	278.4	1.579	2	3	3	Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1
342602499	ZINC000617004865	mid	5.77	-41.01	1	278.4	1.579	2	3	3	Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1
342602500	ZINC000617005166	ref	6.0	-40.68	1	291.395	1.838	2	3	5	C[C@@H](Oc1ccccn1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602501	ZINC000617005166	mid	4.93	-40.95	1	291.395	1.838	2	3	5	C[C@@H](Oc1ccccn1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
282123674	ZINC000248982528	high	2.1	-7.98	0	321.373	1.783	2	6	7	COC(=O)c1cc2cc(CN(C[C@@H](C)O)[C@H](C)CO)ccc2o1
383676965	ZINC000263527412	ref	5.55	-41.47	-1	262.231	2.622	1	4	4	CC(C)[C@H](Nc1ccnc(C(F)(F)F)c1)C(=O)[O-]
282123677	ZINC000248983317	ref	3.33	-9.11	0	318.417	1.491	1	4	4	Cc1ccc(CNC(=O)[C@@H](C)N2CCO[C@@]3(CCOC3)C2)cc1
282123684	ZINC000248983317	low	5.51	-40.27	1	318.417	1.491	2	3	4	Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCO[C@@]3(CCOC3)C2)cc1
365650194	ZINC000336563346	low	7.89	-43.53	1	273.336	2.191	2	3	3	Cc1oc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@H]32)c(C#N)c1C
178324590	ZINC000038070009	ref	10.06	-38.72	1	237.346	3.914	1	0	4	Cc1ccc(-c2ccc(C[NH2+]C3CC3)cc2)cc1
398249711	ZINC000370113770	mid	6.37	-34.28	1	222.376	2.391	1	1	4	C[C@H]([NH2+]C1CC(N2CCCCC2)C1)C1CC1
398249717	ZINC000185034120	ref	1.82	-12.3	0	231.321	0.465	1	3	4	C[C@H]1CCCN1S(=O)(=O)NC[C@@H](C)C#N
342602502	ZINC000617005166	high	2.91	-11.09	0	291.395	1.838	1	4	5	C[C@@H](Oc1ccccn1)C(=O)NC[C@H]1CCN1C(C)(C)C
365650196	ZINC000336563346	low	7.55	-41.67	1	273.336	2.191	2	3	3	Cc1oc(NC(=O)C[N@H+]2C[C@H]3CCC[C@H]32)c(C#N)c1C
214200818	ZINC000053815953	ref	4.91	-10.68	0	345.468	2.871	0	5	5	COc1cccc(-c2nc(CN3CCC[C@@H]3C(=O)N(C)C)cs2)c1
214200820	ZINC000053815953	low	7.36	-34.42	1	345.468	2.871	1	4	5	COc1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3C(=O)N(C)C)cs2)c1
214200822	ZINC000053815953	low	7.86	-35.59	1	345.468	2.871	1	4	5	COc1cccc(-c2nc(C[N@H+]3CCC[C@@H]3C(=O)N(C)C)cs2)c1
214200824	ZINC000053815307	ref	5.62	-7.0	0	328.771	2.445	1	4	4	COC(=O)[C@H]1CCCCN1CC(=O)Nc1cc(Cl)ccc1F
214200829	ZINC000053819133	ref	9.14	-43.58	1	342.639	4.354	1	0	4	[NH3+][C@H](Cc1cccc(Br)c1)Cc1ccc(F)cc1Cl
282123688	ZINC000248983317	low	5.52	-40.38	1	318.417	1.491	2	3	4	Cc1ccc(CNC(=O)[C@@H](C)[N@H+]2CCO[C@@]3(CCOC3)C2)cc1
282123692	ZINC000248983123	ref	7.71	-40.9	1	316.467	1.375	2	4	6	CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCSC[C@@H](C)C1)C(=O)OC
365650200	ZINC000336563773	ref	7.11	-59.19	1	293.432	2.085	1	2	3	C[C@]1(c2ccccc2)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1
365650202	ZINC000336563773	mid	7.1	-58.4	1	293.432	2.085	1	2	3	C[C@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1
342602503	ZINC000617005054	ref	4.52	-36.49	1	264.373	1.331	2	3	3	Cc1cn(C)nc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
349535990	ZINC000621500400	ref	8.77	-9.91	0	294.345	3.361	1	1	3	C[C@@H]1c2ccccc2CCN1C(=O)NCC[C@@H]1CC1(F)F
342602504	ZINC000617005054	mid	5.77	-36.37	1	264.373	1.331	2	3	3	Cc1cn(C)nc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214200832	ZINC000053823443	ref	9.5	-43.55	1	344.705	4.537	1	1	5	C[NH2+][C@@H](Cc1ccc(Cl)cc1)Cc1sccc1Br
398249724	ZINC000370053959	ref	5.18	-34.39	1	235.327	2.169	2	2	2	Cc1ccc(O)c(C[N@H+]2CCOC[C@@H](C)C2)c1
342602505	ZINC000617005054	high	2.76	-10.74	0	264.373	1.331	1	4	3	Cc1cn(C)nc1C(=O)NC[C@@H]1CCN1C(C)(C)C
342602506	ZINC000617005169	ref	6.06	-40.34	1	291.395	1.838	2	3	5	C[C@H](Oc1ccccn1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
365650204	ZINC000336563773	mid	4.64	-10.99	0	293.432	2.085	0	3	3	C[C@]1(c2ccccc2)CCN(C[C@@H]2CCS(=O)(=O)C2)C1
342602507	ZINC000617005169	mid	4.94	-41.03	1	291.395	1.838	2	3	5	C[C@H](Oc1ccccn1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602508	ZINC000617005169	high	3.04	-11.49	0	291.395	1.838	1	4	5	C[C@H](Oc1ccccn1)C(=O)NC[C@H]1CCN1C(C)(C)C
214200823	ZINC000337654834	ref	4.41	-12.89	0	299.371	0.304	1	4	3	COC(=O)[C@]1(C)CN(C(=O)N[C@@H](C)C(=O)N(C)C)C[C@@H]1C
365650208	ZINC000336563693	ref	4.11	-8.38	0	285.413	2.009	0	4	4	CC[C@H](C)[C@H]1CCCCN1S(=O)(=O)c1ccnn1C
136230232	ZINC000295627670	ref	7.28	-15.77	0	225.332	2.416	0	2	6	C=CCN(C)C(=O)CCCC(=O)C(C)(C)C
398249713	ZINC000650875438	ref	4.35	-14.87	0	266.345	1.092	1	4	4	CC[C@@H]1CN(C(=O)NCCn2cccn2)[C@H](C)CO1
342602509	ZINC000617005315	ref	3.55	-47.36	1	283.416	1.138	3	2	5	CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602510	ZINC000617005315	mid	4.08	-47.75	1	283.416	1.138	3	2	5	CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
365650213	ZINC000336563355	ref	3.85	-47.73	1	275.396	2.054	2	2	3	Cc1ccc(NC(=O)[C@@H](C)N2CCC([NH3+])CC2)c(C)c1
365650217	ZINC000336563355	low	6.03	-109.19	2	275.396	2.054	3	1	3	Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([NH3+])CC2)c(C)c1
365650222	ZINC000336563584	ref	5.0	-7.09	0	274.43	2.085	0	2	3	CC[C@@]1(C)CCN(S(=O)(=O)N2CCC(C)CC2)C1
365650225	ZINC000336563162	ref	4.03	-8.66	0	277.299	2.074	2	3	1	CC1(C)[C@H](O)CCN1C(=O)Nc1ccc(F)cc1C#N
365650230	ZINC000336563737	ref	1.98	-11.81	0	298.77	2.23	3	3	3	Cc1ccc(Cl)c(NC(=O)NC[C@@]2(O)CCOC2)c1C
365650234	ZINC000336563137	ref	5.45	-11.05	0	297.424	2.154	0	4	3	Cn1nccc1S(=O)(=O)N1CCC[C@@H]1C1CCCCC1
192340723	ZINC000421452606	ref	10.04	-5.87	0	247.382	3.358	0	1	4	O=C([C@H]1CC12CC2)N(CC1CCCCC1)C1CC1
365650238	ZINC000336563363	ref	7.09	-11.27	0	265.382	2.011	1	3	2	O=C([C@H]1CCCS1)N1CCC(c2c[nH]cn2)CC1
342602511	ZINC000617005315	high	1.62	-16.47	0	283.416	1.138	2	3	5	CC(=O)NCC(C)(C)C(=O)NC[C@@H]1CCN1C(C)(C)C
166173288	ZINC000334436491	ref	6.53	-20.14	0	188.23	1.604	0	3	3	C=CCCn1ccc(C)c(C#N)c1=O
259310561	ZINC000306864579	mid	3.59	-36.6	1	211.227	1.784	2	1	2	C[C@@H]1CC[C@@H](O)C[N@H+]1CCC(F)(F)F
365650242	ZINC000336563363	mid	7.06	-13.66	0	265.382	2.011	1	3	2	O=C([C@H]1CCCS1)N1CCC(c2cnc[nH]2)CC1
365650210	ZINC000617487233	ref	-3.03	-12.6	0	283.328	0.577	3	5	6	CC(C)(C)C[C@H](O)CC(=O)NCc1nc(C(N)=O)co1
342602512	ZINC000617004868	ref	3.51	-45.33	1	282.413	1.378	2	4	4	Cc1nnc(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)s1
197609761	ZINC000290140267	ref	8.79	-16.93	0	288.351	1.146	0	5	7	COCCN(CCc1ccccc1)C(=O)c1ncn(C)n1
342602513	ZINC000617004868	mid	4.75	-44.33	1	282.413	1.378	2	4	4	Cc1nnc(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)s1
197609763	ZINC000290140224	ref	7.77	-48.76	1	277.412	3.344	2	2	8	CCCC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(NC(C)=O)nc1
365650214	ZINC000617487036	ref	-2.08	-11.58	0	269.301	0.451	2	5	7	CC[C@H](C)[C@H](OC)C(=O)NCc1nc(C(N)=O)co1
365650218	ZINC000617487185	ref	-2.56	-17.0	0	277.284	0.021	2	6	5	CC(C)(C(=O)NCc1nc(C(N)=O)co1)n1cccn1
342602514	ZINC000617004868	high	1.73	-14.3	0	282.413	1.378	1	5	4	Cc1nnc(CC(=O)NC[C@@H]2CCN2C(C)(C)C)s1
342602515	ZINC000617005364	ref	4.8	-36.85	1	277.368	1.693	2	3	4	COc1ccnc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1
365650223	ZINC000617486880	ref	-2.76	-14.95	0	261.228	0.681	2	4	5	C[C@H](C(=O)NCc1nc(C(N)=O)co1)C(C)(F)F
365650228	ZINC000617487116	ref	-3.75	-8.68	0	255.274	0.205	2	5	6	CC[C@@](C)(OC)C(=O)NCc1nc(C(N)=O)co1
365650232	ZINC000617487152	ref	-2.26	-13.23	0	267.285	0.203	2	5	4	C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCc2nc(C(N)=O)co2)O1
365650239	ZINC000617486998	ref	-1.71	-11.06	0	277.28	0.861	2	5	6	C[C@H](Cc1ccco1)C(=O)NCc1nc(C(N)=O)co1
365650244	ZINC000617486956	ref	-1.42	-14.85	0	288.307	0.808	2	5	7	NC(=O)c1coc(CNC(=O)CCCc2cccnc2)n1
230762608	ZINC000450598725	ref	4.77	-14.09	0	321.373	1.224	2	5	9	C=CCOc1ccc(CC(=O)NC[C@@](C)(O)C(=O)OCC)cc1
342602516	ZINC000617005364	mid	3.67	-37.14	1	277.368	1.693	2	3	4	COc1ccnc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1
365650248	ZINC000617486965	ref	-4.02	-10.28	0	295.324	0.014	3	7	6	CCNc1nc(C(=O)NCc2nc(C(N)=O)co2)cs1
342602517	ZINC000617005364	high	1.78	-9.81	0	277.368	1.693	1	4	4	COc1ccnc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1
210256176	ZINC000019526951	ref	7.05	-19.89	0	399.495	1.303	0	5	3	CCN1C[C@@H](C(=O)N2CCc3nc([C@H]4CCCCN4C(C)=O)ncc3C2)CC1=O
342602518	ZINC000617005192	ref	6.93	-39.57	1	268.401	1.79	2	2	5	CO[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C1CCC1
365650252	ZINC000617486965	high	-4.99	-34.94	-1	295.324	0.014	2	6	5	CCN=c1[n-]c(C(=O)NCc2nc(C(N)=O)co2)cs1
365650256	ZINC000617487258	ref	-1.1	-12.04	0	293.323	0.761	2	5	5	C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nc(C(N)=O)co1
342089254	ZINC000034527565	ref	4.69	-46.19	1	251.293	1.992	2	3	3	[NH3+]Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
342089255	ZINC000034527565	high	4.68	-61.95	0	251.293	1.992	1	3	3	[NH3+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1
365650212	ZINC000625120418	mid	6.53	-30.34	1	323.525	2.292	1	3	8	CCO[C@H](CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1
365650216	ZINC000625119890	ref	6.16	-9.33	0	301.452	2.444	1	3	7	CCO[C@@H](CS(=O)(=O)N[C@H]1CC12CCCCC2)C1CC1
342089256	ZINC000034527565	high	4.69	-61.97	0	251.293	1.992	1	3	3	[NH3+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1
342089257	ZINC000067302935	ref	5.05	-17.3	0	275.356	1.419	1	5	4	Cc1cnn(CC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1
342089258	ZINC000622702706	ref	3.21	-15.92	0	284.718	1.653	2	2	3	Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)c(Cl)cc1F
342089259	ZINC000046854944	ref	6.37	-41.68	1	250.342	1.814	2	2	6	O=C(CCc1ccco1)NCC[NH+]1CCCCC1
168365580	ZINC000368508262	ref	7.52	-22.09	0	343.431	3.407	0	6	6	CC[C@H](C)CCC(=O)N1CCCC[C@@H]1c1nc(-c2ncccn2)no1
168365582	ZINC000368502266	ref	1.58	-46.42	-1	345.829	3.018	1	5	3	O=S(=O)([N-]c1cccc2c1OCC[C@@H]2O)c1ccc(Cl)s1
342089260	ZINC000046854944	high	3.98	-8.15	0	250.342	1.814	1	3	6	O=C(CCc1ccco1)NCCN1CCCCC1
342089261	ZINC000622702586	ref	4.95	-15.96	0	289.383	1.673	1	5	5	CCn1ccc(CNC(=O)[C@@H](C)c2c(C)nn(C)c2C)n1
342089262	ZINC000063474087	ref	0.62	-18.45	0	288.394	1.183	1	5	3	CC(C)c1csc(C(=O)N[C@H]2CCS(=O)(=O)C2)n1
342089263	ZINC000625368619	ref	4.34	-35.82	1	259.415	1.48	3	3	4	C[C@@H]1CCSCC[N@@H+]1C[C@H](O)CC1(O)CCC1
342089264	ZINC000625368619	mid	4.52	-34.91	1	259.415	1.48	3	3	4	C[C@@H]1CCSCC[N@H+]1C[C@H](O)CC1(O)CCC1
342089265	ZINC000622702700	ref	3.2	-12.47	0	252.358	1.599	2	2	4	CC1(CC(=O)NC[C@@H]2CNC(=O)C2)CCCCC1
365650220	ZINC000625121717	ref	5.26	-12.93	0	307.481	2.007	1	4	8	CCO[C@@H](CS(=O)(=O)NC[C@H]1CCCCS1)C1CC1
365650226	ZINC000625120693	ref	2.58	-10.4	0	305.346	2.119	1	3	3	Cc1ccc(S(=O)(=O)N[C@]2(C)CCO[C@H]2C)c(F)c1F
365650229	ZINC000625120693	high	2.84	-42.17	-1	305.346	2.119	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@H]2C)c(F)c1F
365650231	ZINC000625121641	ref	4.13	-39.79	1	320.437	2.002	2	4	7	CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1
342089266	ZINC000622702589	ref	3.33	-13.4	0	252.358	1.599	2	2	4	O=C(CC1CCCCCC1)NC[C@H]1CNC(=O)C1
365650235	ZINC000625121641	mid	4.28	-44.25	1	320.437	2.002	2	4	7	CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1
365650221	ZINC000354728885	mid	6.99	-39.84	1	297.443	1.926	2	2	6	COC1CC(N(C)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)C1
365650224	ZINC000354729018	ref	1.8	-8.94	0	282.344	1.461	1	5	3	CC[C@]1(C)CN(C(=O)Nc2cn(C)nc2OC)CCO1
365650227	ZINC000354729192	ref	4.67	-13.64	0	275.312	1.477	0	6	4	CC[C@H](C)c1cc(C(=O)N2CC(n3ccnn3)C2)on1
178324592	ZINC000237672803	ref	4.3	-12.38	0	365.499	1.408	1	3	3	Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3([NH3+])CCCC3)CC2)c1
136230234	ZINC000295628473	ref	6.84	-42.66	1	247.382	3.36	2	1	8	C=CCCCC[NH2+]Cc1ccc(C(C)(C)O)cc1
178324594	ZINC000237672803	high	4.3	-12.38	0	365.499	1.408	1	4	3	Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)C3(N)CCCC3)CC2)c1
178324597	ZINC000237664725	ref	7.12	-43.05	1	374.441	1.624	2	4	5	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
398249714	ZINC000651466271	ref	7.38	-45.21	1	272.396	3.327	1	3	5	CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(C)nc2C)cn1
178324602	ZINC000237674317	ref	4.66	-11.14	0	351.878	1.753	1	3	6	O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1
178324608	ZINC000237674317	high	4.66	-11.14	0	351.878	1.753	1	4	6	O=C(CNC[C@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1
178324611	ZINC000237674350	ref	4.15	-54.36	1	365.499	1.264	1	3	3	Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)c1
398249719	ZINC000651466271	mid	6.56	-8.15	0	272.396	3.327	1	4	5	CCn1cc([C@H](C)N[C@@H](C)c2ccc(C)nc2C)cn1
365650233	ZINC000354730234	ref	3.01	-43.42	1	295.383	1.797	3	3	7	CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@@H]1CCOC1)c1ccco1
365650236	ZINC000354730234	high	1.95	-9.46	0	295.383	1.797	3	4	7	CC[C@H](C)N[C@H](CNC(=O)N[C@@H]1CCOC1)c1ccco1
192340726	ZINC000421454929	ref	6.64	-8.39	0	223.291	2.908	1	1	3	Cc1c(F)cccc1C(=O)N[C@@H](C)C(C)C
166173292	ZINC000049804408	ref	2.85	-100.33	2	128.219	0.453	2	0	5	C=CC[N@H+](C)CCC[NH3+]
365650240	ZINC000354729632	ref	4.67	-17.26	0	290.363	1.196	2	3	6	CC[C@H](C(=O)NCc1cccc(CO)c1)N1CCCC1=O
365650243	ZINC000354729806	ref	3.32	-17.2	0	268.744	1.571	2	2	5	Cc1ccc(CC(=O)N[C@H](C)CC(N)=O)c(Cl)c1
365650247	ZINC000354729635	ref	5.9	-49.61	1	265.357	1.509	2	2	6	CCCN(CC[NH+](C)C)C(=O)c1c(C)cc[nH]c1=O
365650254	ZINC000354729635	high	3.44	-22.23	0	265.357	1.509	1	3	6	CCCN(CCN(C)C)C(=O)c1c(C)cc[nH]c1=O
365650258	ZINC000354729279	ref	6.81	-10.14	0	262.353	1.892	0	3	1	C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(=O)n(C)c2)[C@@H]1C
365650263	ZINC000354731110	ref	3.04	-40.14	1	259.415	1.337	3	3	4	OC[C@@H]1CSCC[N@@H+]1C[C@H](O)C1CCCCC1
342602519	ZINC000617005192	mid	6.01	-40.69	1	268.401	1.79	2	2	5	CO[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C1CCC1
214200826	ZINC000337655343	ref	5.99	-8.46	0	291.273	2.43	2	3	3	C[C@@H](C(=O)Nc1nc(C(F)(F)F)c[nH]1)C1CCOCC1
365650237	ZINC000625121641	mid	2.28	-11.61	0	320.437	2.002	1	5	7	CCCCNC(=O)[C@H]1CC[C@@H](C)N(Cc2cncc(OC)n2)C1
342602520	ZINC000617005192	high	4.05	-9.04	0	268.401	1.79	1	3	5	CO[C@@H](C(=O)NC[C@H]1CCN1C(C)(C)C)C1CCC1
214200828	ZINC000337655343	mid	5.9	-7.38	0	291.273	2.43	2	3	3	C[C@@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)C1CCOCC1
342602521	ZINC000617004834	ref	3.02	-37.72	1	298.427	1.012	3	3	4	CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C2(CO)CCOCC2)C1
365650241	ZINC000625121576	ref	9.08	-45.37	1	314.433	2.321	1	4	6	COc1ccc(CC2CC[NH+](CCc3cn(C)nn3)CC2)cc1
365650245	ZINC000625121576	high	6.71	-12.31	0	314.433	2.321	0	5	6	COc1ccc(CC2CCN(CCc3cn(C)nn3)CC2)cc1
365650249	ZINC000625118824	ref	8.31	-41.28	1	300.406	2.073	1	4	6	COc1ccccc1C[C@@H]1CCC[N@@H+]1CCc1cn(C)nn1
398249715	ZINC000634730309	ref	2.52	-37.3	1	241.375	1.821	3	2	4	O[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)C1CCCCC1
136230235	ZINC000295498653	ref	6.32	-10.67	0	245.322	2.101	1	2	7	C#Cc1ccc(CNC(=O)CCCOCC)cc1
136230236	ZINC000295481126	ref	4.7	-7.45	0	207.273	2.416	1	2	4	C=CC(C)(C)C(=O)NCc1occc1C
365650251	ZINC000625118824	mid	8.65	-39.12	1	300.406	2.073	1	4	6	COc1ccccc1C[C@@H]1CCC[N@H+]1CCc1cn(C)nn1
365650255	ZINC000625120691	ref	2.7	-10.67	0	305.346	2.119	1	3	3	Cc1ccc(S(=O)(=O)N[C@@]2(C)CCO[C@@H]2C)c(F)c1F
214200831	ZINC000337656837	ref	7.37	-15.89	0	283.295	0.374	2	6	5	O=C(NCc1ccccc1Cn1cncn1)c1nnc[nH]1
342602522	ZINC000617004834	mid	2.98	-37.29	1	298.427	1.012	3	3	4	CC(C)(C)[N@H+]1CC[C@H](CNC(=O)C2(CO)CCOCC2)C1
136230237	ZINC000233222863	ref	6.83	-57.03	-1	243.303	1.126	0	4	5	CCCOCC(=O)N1CCC[C@@](C)(C(=O)[O-])C1
398249723	ZINC000390800846	ref	-1.48	-89.7	2	213.325	-0.844	4	2	4	C[C@]1(CNC[C@@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1
282123686	ZINC000247974306	ref	5.49	-43.5	1	333.476	2.53	4	2	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1
178324610	ZINC000036927533	ref	5.98	-45.03	1	203.31	3.182	1	1	2	Cc1ccc(-c2ccc(C[NH3+])s2)cc1
178324615	ZINC000036927533	high	5.58	-3.67	0	203.31	3.182	1	2	2	Cc1ccc(-c2ccc(CN)s2)cc1
365650257	ZINC000625120691	high	2.84	-41.97	-1	305.346	2.119	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@@H]2C)c(F)c1F
398249725	ZINC000390800846	low	-0.32	-186.59	3	213.325	-0.844	4	1	4	C[C@]1(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1
398249718	ZINC000650871739	ref	2.94	-9.94	0	286.441	1.981	3	3	6	O=C(NCCC1(CO)CCC1)NCC1CCSCC1
178324613	ZINC000237676356	ref	3.53	-52.01	1	351.472	1.488	1	3	3	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCCC[C@H]1C[NH3+]
214200830	ZINC000293791999	high	3.63	-13.22	0	363.458	0.229	1	6	4	CCN1CC[C@H]2OCCN(C(=O)[C@@](C)(O)Cn3ccc(C)cc3=O)[C@H]2C1
178324617	ZINC000237676160	ref	5.92	-44.04	1	367.444	1.843	1	4	4	O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCN(Cc2nccn2C(F)F)CC1
178324620	ZINC000237668045	ref	8.13	-41.92	1	373.497	1.789	2	3	6	Cc1ccc(C)c(OCC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
365650246	ZINC000336563363	low	7.57	-41.36	1	265.382	2.011	1	2	2	O=C([C@H]1CCCS1)N1CCC(c2c[nH+]c[nH]2)CC1
178324625	ZINC000237668967	ref	5.31	-50.55	1	367.515	1.579	2	3	7	C[C@H](CC(=O)NCc1ccccc1S(=O)(=O)N(C)C)[C@H]1CCC[NH2+]C1
178324630	ZINC000237664364	ref	7.41	-76.62	-1	368.393	1.452	2	6	6	Cc1[nH]c2ccnn2c(=O)c1CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-]
178324634	ZINC000237664545	ref	3.26	-49.58	1	373.478	1.902	3	3	4	Cc1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)cc1S(N)(=O)=O
178324638	ZINC000237661218	ref	9.11	-61.59	-1	359.357	1.663	1	6	4	Cc1cc(=O)c(C(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)nn1-c1ccccc1F
365650250	ZINC000336563363	low	7.56	-41.51	1	265.382	2.011	1	2	2	O=C([C@H]1CCCS1)N1CCC(c2c[nH]c[nH+]2)CC1
365650253	ZINC000336563397	ref	2.22	-4.42	0	274.286	2.447	1	3	2	C[C@]1(O)CCCN(Cc2cncc(C(F)(F)F)c2)C1
365650259	ZINC000336563397	mid	4.84	-40.15	1	274.286	2.447	2	2	2	C[C@]1(O)CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1
178324641	ZINC000237672104	ref	6.51	-52.83	1	369.387	1.922	2	2	4	O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
365650264	ZINC000336563397	mid	4.73	-41.52	1	274.286	2.447	2	2	2	C[C@]1(O)CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1
178324646	ZINC000237671041	ref	4.39	-41.07	1	357.376	1.338	1	4	3	O=C([C@@H]1COCCN1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
214200833	ZINC000293780693	ref	3.14	-12.15	0	373.457	0.804	1	7	7	CCn1nc(C)c(C(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)n1
365650268	ZINC000336563153	ref	7.51	-12.4	0	259.353	2.237	0	3	2	O=C([C@H]1CC12CCCC2)N1CC[C@@H](n2cccn2)C1
365650273	ZINC000336563259	ref	4.87	-9.13	0	251.33	2.284	0	4	2	CCc1nc(C(=O)N2CCCC(C)(C)CC2)no1
365650281	ZINC000336563398	ref	4.54	-9.21	0	251.355	2.118	1	4	3	Cc1nsc(NC2CC2)c1C(=O)N1CC(C)C1
361824046	ZINC000635539172	low	7.99	-80.56	2	286.379	1.714	2	2	3	Cc1cn2ccc(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2[nH+]1
361824051	ZINC000635539172	low	8.43	-79.98	2	286.379	1.714	2	2	3	Cc1cn2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2[nH+]1
342089267	ZINC000625368697	ref	5.38	-31.92	1	285.428	1.789	3	3	8	COCC[N@H+](C[C@H](O)CC1(O)CCC1)[C@@H]1CC[C@H](C)C1
361824053	ZINC000635539172	high	5.6	-15.01	0	286.379	1.714	1	4	3	Cc1cn2ccc(C(=O)NC[C@@H]3CCCN(C)C3)cc2n1
197609776	ZINC000290140006	ref	2.04	-17.76	0	282.321	1.615	0	6	3	Cc1occc1-c1noc(C[C@H]2CCS(=O)(=O)C2)n1
214200834	ZINC000337656837	mid	7.08	-12.59	0	283.295	0.374	2	6	5	O=C(NCc1ccccc1Cn1cncn1)c1ncn[nH]1
197609777	ZINC000290140259	ref	6.55	-9.83	0	296.436	2.833	1	3	4	CC(C)CN(C)C(=O)NC[C@]1(C)OCCc2sccc21
361824057	ZINC000136392936	ref	3.85	-15.97	0	290.319	1.156	1	4	3	CCC(=O)N1CC[C@H](NC(=O)c2ccc3c(c2)OCO3)C1
342089268	ZINC000625368697	mid	4.99	-31.12	1	285.428	1.789	3	3	8	COCC[N@@H+](C[C@H](O)CC1(O)CCC1)[C@@H]1CC[C@H](C)C1
342089269	ZINC000622702537	ref	3.68	-16.54	0	282.384	1.367	2	3	5	C[C@@H](OC1CCCCCC1)C(=O)NC[C@H]1CNC(=O)C1
361824063	ZINC000401312102	ref	3.22	-10.92	0	255.358	1.424	1	3	5	O=C(CC[C@H]1CCOC1)N1CCC(CCO)CC1
361824070	ZINC000136393692	ref	5.62	-13.06	0	297.358	1.975	1	3	3	CCC(=O)N1CC[C@H](NC(=O)c2ccc3ccccc3n2)C1
214200836	ZINC000337656837	mid	7.07	-21.01	0	283.295	0.374	2	6	5	O=C(NCc1ccccc1Cn1cncn1)c1nc[nH]n1
342089270	ZINC000622702543	ref	2.56	-19.38	0	270.691	1.345	2	2	3	O=C1C[C@H](CNC(=O)c2cccc(F)c2Cl)CN1
342089271	ZINC000622702563	ref	3.33	-11.94	0	291.355	1.658	1	6	7	CCn1ccc(CNC(=O)CCc2nc(C(C)C)no2)n1
342089272	ZINC000622702693	ref	2.32	-19.25	0	298.289	1.083	2	3	6	O=C(Cc1ccccc1OC(F)F)NC[C@@H]1CNC(=O)C1
342089273	ZINC000625368755	ref	3.44	-10.45	0	284.157	1.466	0	3	3	CCN1CN(Cc2ccncc2Br)CC1=O
342089274	ZINC000046855176	ref	7.41	-48.89	1	280.343	1.807	2	2	6	O=C(COc1cccc(F)c1)NCC[NH+]1CCCCC1
342089275	ZINC000046855176	high	5.02	-13.58	0	280.343	1.807	1	3	6	O=C(COc1cccc(F)c1)NCCN1CCCCC1
342089276	ZINC000622702711	ref	3.15	-20.61	0	284.718	1.653	2	2	3	Cc1ccc(C(=O)NC[C@H]2CNC(=O)C2)c(F)c1Cl
342089277	ZINC000023282288	ref	5.08	-13.27	0	292.379	1.409	0	4	6	COc1ccc(C[C@@H](C)N2CCN(C=O)CC2)cc1OC
342089278	ZINC000023282288	mid	6.87	-52.1	1	292.379	1.409	1	3	6	COc1ccc(C[C@@H](C)[NH+]2CCN(C=O)CC2)cc1OC
365650260	ZINC000625121590	ref	3.43	-10.6	0	319.373	2.367	1	3	4	Cc1ccc(S(=O)(=O)NC[C@H]2CCO[C@H](C)C2)c(F)c1F
178324619	ZINC000041048880	ref	5.64	-4.08	0	207.66	3.491	1	2	1	Cc1ccc(-c2ccc(Cl)cc2N)o1
178324622	ZINC000038070008	ref	9.88	-38.74	1	239.362	4.16	1	0	4	Cc1ccc(-c2ccc(C[NH2+]C(C)C)cc2)cc1
365650262	ZINC000625121590	high	3.37	-46.39	-1	319.373	2.367	0	3	4	Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@H](C)C2)c(F)c1F
342089279	ZINC000621364188	ref	6.08	-31.41	1	280.412	1.526	2	2	7	C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
365650266	ZINC000625119492	ref	7.67	-49.52	1	306.435	2.22	1	5	7	COc1cc(C[N@H+](C)CCc2cn(C)nn2)ccc1SC
365650269	ZINC000625119492	mid	7.66	-49.31	1	306.435	2.22	1	5	7	COc1cc(C[N@@H+](C)CCc2cn(C)nn2)ccc1SC
365650272	ZINC000625119492	high	5.32	-12.87	0	306.435	2.22	0	6	7	COc1cc(CN(C)CCc2cn(C)nn2)ccc1SC
365650275	ZINC000625121607	ref	3.69	-10.72	0	319.373	2.367	1	3	4	Cc1ccc(S(=O)(=O)NC[C@H]2CCO[C@@H](C)C2)c(F)c1F
365650278	ZINC000625121607	high	3.62	-46.43	-1	319.373	2.367	0	3	4	Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCO[C@@H](C)C2)c(F)c1F
365650282	ZINC000625119894	ref	6.16	-9.83	0	301.452	2.444	1	3	7	CCO[C@@H](CS(=O)(=O)N[C@@H]1CC12CCCCC2)C1CC1
178324626	ZINC000065340296	ref	6.51	-5.43	0	216.255	3.815	1	1	1	Cc1ccc(-c2ccc(C)c(F)c2)cc1O
398249721	ZINC000651465674	ref	3.35	-6.84	0	274.286	3.065	2	3	5	OCC1(CCNc2ccnc(C(F)(F)F)c2)CCC1
178324633	ZINC000065350074	ref	9.83	-48.63	-1	244.265	3.808	0	2	2	Cc1ccc(-c2ccc(C)c(F)c2)c(C(=O)[O-])c1
178324636	ZINC000041258385	ref	7.57	-3.89	0	231.726	4.206	1	1	1	Cc1ccc(-c2ccc(Cl)c(N)c2)cc1C
178324640	ZINC000038069008	ref	6.62	-4.42	0	201.244	3.383	1	1	1	Cc1ccc(-c2ccc(F)cc2)cc1N
178324644	ZINC000015441009	ref	6.69	-4.98	0	212.292	3.197	1	1	3	Cc1ccc(-c2ccc(CCO)cc2)cc1
178324650	ZINC000116173244	ref	2.49	-8.63	0	200.241	1.944	1	3	2	Cc1ccc(-c2ccc(CO)cn2)cn1
178324658	ZINC000065349916	ref	6.45	-53.6	-1	242.274	2.853	1	3	3	Cc1ccc(-c2ccc(CO)cc2)c(C(=O)[O-])c1
398249726	ZINC000651466264	ref	5.98	-40.04	1	264.398	3.08	1	4	5	CCn1cc([C@H](C)[NH2+][C@H](C)c2cnc(C)s2)cn1
342089280	ZINC000621364188	mid	5.86	-33.87	1	280.412	1.526	2	2	7	C=CCN(CC=C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
166173297	ZINC000049804408	mid	2.82	-100.05	2	128.219	0.453	2	0	5	C=CC[N@@H+](C)CCC[NH3+]
214725263	ZINC000279233433	ref	6.49	-8.94	0	317.307	2.841	1	4	6	COC(=O)C1(CN[C@H](c2ccc(OC)cc2)C(F)(F)F)CC1
349535991	ZINC000594973418	ref	6.51	-49.57	1	262.378	2.835	1	3	5	C=CCC1([NH2+]Cc2ccc(C#N)s2)CCOCC1
342089281	ZINC000621364188	high	3.54	-8.28	0	280.412	1.526	1	3	7	C=CCN(CC=C)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](CO)C1
342089282	ZINC000625368582	ref	3.51	-38.21	1	253.371	1.813	1	4	3	COc1cncc(C[N@@H+]2CCSCC[C@@H]2C)n1
365650261	ZINC000617487134	ref	-3.09	-11.35	0	280.309	0.777	2	6	4	Cc1nsc(C)c1C(=O)NCc1nc(C(N)=O)co1
349535995	ZINC000594970543	ref	7.26	-11.97	0	295.39	2.751	1	5	7	C=CCCn1cc(CNC(C)(C)c2cccc(C#N)c2)nn1
342089283	ZINC000625368582	mid	4.09	-37.53	1	253.371	1.813	1	4	3	COc1cncc(C[N@H+]2CCSCC[C@@H]2C)n1
349535998	ZINC000594970543	mid	8.35	-51.09	1	295.39	2.751	1	4	7	C=CCCn1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)nn1
168365584	ZINC000368504138	ref	7.9	-10.87	0	346.471	3.228	1	3	5	COc1ccc(CC[C@H](C)NC(=O)N2CC[C@@]3(CCCOC3)C2)cc1
342089284	ZINC000625368582	mid	2.43	-5.5	0	253.371	1.813	0	5	3	COc1cncc(CN2CCSCC[C@@H]2C)n1
342089285	ZINC000023281876	ref	6.03	-10.64	0	276.38	1.976	0	3	3	COc1cc(C)c(CN2CCN(C(C)=O)CC2)cc1C
342089286	ZINC000023281876	mid	7.72	-47.06	1	276.38	1.976	1	2	3	COc1cc(C)c(C[NH+]2CCN(C(C)=O)CC2)cc1C
342089287	ZINC000023283344	ref	4.44	-39.59	1	292.423	1.626	2	3	7	COc1ccc(CC[C@H](C)[NH+]2CCN(CCO)CC2)cc1
342089288	ZINC000023283344	high	2.52	-5.82	0	292.423	1.626	1	4	7	COc1ccc(CC[C@H](C)N2CCN(CCO)CC2)cc1
398249728	ZINC000651466264	mid	4.91	-7.7	0	264.398	3.08	1	5	5	CCn1cc([C@H](C)N[C@H](C)c2cnc(C)s2)cn1
342089289	ZINC000622702636	ref	3.96	-22.3	0	269.308	1.709	2	4	4	CCn1ccc(CNC(=O)c2cccc3c[nH]nc23)n1
342089290	ZINC000625368748	ref	4.78	-8.35	0	292.383	1.097	1	4	6	C=CC(C)(C)CCNC(=O)C(=O)N(C)Cc1cnn(C)c1
342089291	ZINC000023550152	ref	1.84	-12.48	0	276.336	1.343	2	5	6	COc1cccc2c(C)cc(N(CCO)CCO)nc12
342089292	ZINC000046855177	ref	7.1	-48.77	1	292.379	1.676	2	3	7	COc1ccccc1OCC(=O)NCC[NH+]1CCCCC1
342089293	ZINC000046855177	high	4.71	-15.32	0	292.379	1.676	1	4	7	COc1ccccc1OCC(=O)NCCN1CCCCC1
342089294	ZINC000625368618	ref	3.23	-34.51	1	259.415	1.48	3	3	4	C[C@H]1CCSCC[N@@H+]1C[C@@H](O)CC1(O)CCC1
342089295	ZINC000625368618	mid	3.1	-35.47	1	259.415	1.48	3	3	4	C[C@H]1CCSCC[N@H+]1C[C@@H](O)CC1(O)CCC1
349536003	ZINC000594971113	ref	8.23	-53.99	1	298.289	2.622	1	3	8	O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCO[C@H]1CC1(F)F
365650265	ZINC000617486928	ref	-2.42	-10.62	0	277.202	0.588	2	4	4	NC(=O)c1coc(CNC(=O)[C@@H]2C[C@H]2C(F)(F)F)n1
197609786	ZINC000290141689	ref	4.72	-62.91	1	271.357	1.74	1	2	4	O=S1(=O)CCC[C@H](C[NH2+]Cc2cccc(F)c2)C1
197609787	ZINC000290141689	high	3.54	-13.65	0	271.357	1.74	1	3	4	O=S1(=O)CCC[C@H](CNCc2cccc(F)c2)C1
365650271	ZINC000617487100	ref	-1.13	-9.77	0	263.297	0.826	2	4	4	C[C@@]1(C(=O)NCc2nc(C(N)=O)co2)C[C@@H]2C[C@@H]2C1
214200835	ZINC000053810222	ref	6.42	-17.51	0	342.325	1.276	1	6	7	CN(CCCNC(=O)c1ccnc(-n2cncn2)c1)CC(F)(F)F
214200837	ZINC000053819680	ref	2.94	-53.69	-1	338.36	2.458	1	4	5	COc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1F
230239489	ZINC000343191376	ref	-4.09	-17.55	0	278.334	-1.696	2	4	4	COCCN1C(=O)N[C@H]2CN(S(N)(=O)=O)CC[C@H]21
230762645	ZINC000450597803	ref	-1.03	-11.4	0	309.288	1.617	2	6	9	CC[C@@H](COCC(F)(F)F)Nc1cncc(OCCO)n1
282123687	ZINC000151696161	ref	5.89	-16.02	0	316.386	2.48	1	5	4	CCc1ncc(C(=O)Nc2ccc(N3CCCC3=O)cn2)s1
342089296	ZINC000622702699	ref	3.2	-12.5	0	252.358	1.599	2	2	4	CC1(CC(=O)NC[C@H]2CNC(=O)C2)CCCCC1
342089297	ZINC000622702633	ref	1.54	-15.77	0	258.73	1.267	2	3	3	O=C1C[C@H](CNC(=O)c2csc(Cl)c2)CN1
342089298	ZINC000121732039	ref	5.56	-14.88	0	293.388	1.436	0	3	2	C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CCS1(=O)=O
342089299	ZINC000622702692	ref	2.32	-19.2	0	298.289	1.083	2	3	6	O=C(Cc1ccccc1OC(F)F)NC[C@H]1CNC(=O)C1
342089300	ZINC000622702620	ref	3.35	-14.44	0	290.367	1.028	2	4	5	Cc1cc(C(=O)NC[C@H]2CNC(=O)C2)nn1[C@H](C)C1CC1
342089301	ZINC000622702558	ref	2.58	-14.24	0	270.691	1.345	2	2	3	O=C1C[C@@H](CNC(=O)c2cc(F)ccc2Cl)CN1
168367853	ZINC000036788363	ref	5.89	-9.21	0	220.316	2.529	1	2	4	CCC(CC)N(C)C(=O)c1cccc(N)c1
230239493	ZINC000343112789	ref	-2.1	-15.44	0	274.317	-1.205	3	5	8	C[C@@H](OC[C@H]1CCCO1)C(=O)NCC(=O)NCCO
230239498	ZINC000343248493	ref	-2.27	-12.52	0	294.311	-1.066	3	5	7	CNC(=O)c1ccc(C(=O)NCC(=O)NCCOC)cn1
230239506	ZINC000343185904	ref	0.53	-18.47	0	293.327	-1.227	2	5	3	CNC(=O)[C@@H]1CCCN1C(=O)C(=O)NCc1cnn(C)c1
230239517	ZINC000343106412	ref	0.78	-15.02	0	271.317	-1.125	2	4	4	CCNC(=O)[C@H](C)NC(=O)[C@@H]1COCCN1C(C)=O
230239522	ZINC000343199865	ref	-1.65	-48.69	1	286.357	-1.029	3	4	8	CCS(=O)(=O)NCC(=O)NCCNc1cc[nH+]cc1
230239528	ZINC000343199865	high	-2.13	-20.6	0	286.357	-1.029	3	5	8	CCS(=O)(=O)NCC(=O)NCCNc1ccncc1
342602523	ZINC000590881676	ref	3.13	-13.54	0	295.339	1.916	3	5	7	CC[C@H](NC(=O)c1ccc(NC)c([N+](=O)[O-])c1)[C@H](O)CC
342602524	ZINC000617005196	ref	4.94	-35.14	1	262.357	1.388	2	3	3	Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)nn1
295666971	ZINC000412992208	ref	13.17	-48.6	1	300.362	2.826	1	4	5	O=[N+]([O-])c1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)cn1
365650267	ZINC000354731110	mid	3.33	-36.15	1	259.415	1.337	3	3	4	OC[C@@H]1CSCC[N@H+]1C[C@H](O)C1CCCCC1
365650270	ZINC000354731110	high	1.23	-4.89	0	259.415	1.337	2	4	4	OC[C@@H]1CSCCN1C[C@H](O)C1CCCCC1
365650274	ZINC000354730146	ref	3.75	-43.74	1	279.384	1.154	4	2	5	CCc1[nH]ccc1C(=O)NC1(CCO)CC[NH+](C)CC1
365650277	ZINC000354730146	high	1.36	-10.05	0	279.384	1.154	3	3	5	CCc1[nH]ccc1C(=O)NC1(CCO)CCN(C)CC1
214200838	ZINC000337655761	ref	9.16	-54.23	-1	295.379	2.215	0	4	6	CCO[C@@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C1=CCCC1
214200841	ZINC000337654102	ref	-0.15	-17.65	0	290.385	0.289	2	4	5	COCC1(CNC(=O)N[C@@H]2CCS(=O)(=O)C2)CCC1
365650279	ZINC000354729478	ref	2.0	-12.84	0	294.351	1.383	2	4	4	CC1(C)C[C@@H](NC(=O)c2ccoc2CC(N)=O)C(C)(C)O1
342602525	ZINC000617005196	mid	3.81	-35.79	1	262.357	1.388	2	3	3	Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)nn1
342602526	ZINC000617005196	high	1.92	-8.72	0	262.357	1.388	1	4	3	Cc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)nn1
230762659	ZINC000425898022	ref	2.54	-46.41	1	307.419	2.026	3	5	6	OC[C@@H](NCc1cc(C2CC[NH2+]CC2)no1)c1ccsc1
230762662	ZINC000425898022	low	3.64	-101.71	2	307.419	2.026	3	4	6	OC[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccsc1
282123690	ZINC000458877865	high	5.06	-9.25	0	335.423	2.175	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3c(F)cccc32)CCO1
178324648	ZINC000237671041	mid	4.39	-41.07	1	357.376	1.338	1	3	3	O=C([C@@H]1COCC[NH2+]1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
282123697	ZINC000408419860	ref	5.53	-44.3	1	308.386	0.085	2	5	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCO1
342602527	ZINC000590875933	ref	2.07	-8.25	0	294.326	1.492	3	3	2	Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H](O)C2)ccc1F
342602528	ZINC000617004832	ref	6.09	-39.8	1	261.369	1.993	2	2	3	Cc1cnccc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
166173298	ZINC000049804408	mid	0.46	-41.42	1	128.219	0.453	1	1	5	C=CCN(C)CCC[NH3+]
342602529	ZINC000617004832	mid	4.97	-40.23	1	261.369	1.993	2	2	3	Cc1cnccc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
214200844	ZINC000337656409	ref	8.17	-20.11	0	265.361	0.73	1	5	7	CNC(=O)CCCN(C)c1nnc(CC2CC2)n1C
178324651	ZINC000237671916	ref	7.03	-49.99	1	369.387	1.922	2	2	7	O=C(NCC[NH2+]C1CC1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
342602530	ZINC000617004832	high	2.96	-7.69	0	261.369	1.993	1	3	3	Cc1cnccc1C(=O)NC[C@H]1CCN1C(C)(C)C
342602531	ZINC000617005084	ref	7.7	-39.93	1	290.411	1.434	2	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1
230762654	ZINC000450598663	ref	6.9	-10.37	0	321.417	1.944	1	4	8	CCO[C@@H]1COCC[C@@H]1NC(=O)[C@H](C)OCCc1ccccc1
365650276	ZINC000617487145	ref	-2.13	-12.25	0	291.311	0.655	2	6	4	CC(C)(C)n1ccc(C(=O)NCc2nc(C(N)=O)co2)n1
178324654	ZINC000237679932	ref	4.22	-53.0	1	350.484	1.342	1	3	2	C[C@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C1(c2ccccc2)CC[NH2+]CC1
365650280	ZINC000617486887	ref	-1.44	-12.21	0	281.312	0.739	2	5	6	CCOC1(C(=O)NCc2nc(C(N)=O)co2)CCCC1
365650291	ZINC000617487223	ref	-1.67	-17.48	0	289.295	0.164	2	6	6	NC(=O)c1coc(CNC(=O)Cn2cc(C3CC3)cn2)n1
365650294	ZINC000617486875	ref	-1.86	-11.6	0	295.339	0.987	2	5	7	NC(=O)c1coc(CNC(=O)CCCC2CCOCC2)n1
230762668	ZINC000450598706	ref	5.76	-11.3	0	305.374	1.528	2	4	5	CCOC(=O)[C@@](C)(O)CNC(=O)c1ccc(C)c2c1CCC2
178324656	ZINC000237669679	ref	4.96	-54.33	1	371.403	1.774	2	3	4	O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1C[NH2+]CCO1
178324660	ZINC000237669679	mid	7.31	-107.45	2	371.403	1.774	3	2	4	O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1C[NH2+]CCO1
178324662	ZINC000237669679	high	3.6	-11.4	0	371.403	1.774	2	4	4	O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@@H]1CNCCO1
342602532	ZINC000617005084	mid	6.22	-41.54	1	290.411	1.434	2	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1
342602533	ZINC000617005084	low	8.17	-80.58	2	290.411	1.434	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1
178324665	ZINC000237679660	ref	7.97	-88.73	2	359.518	1.475	3	3	6	C[C@H](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1
178324668	ZINC000237679660	mid	5.59	-45.22	1	359.518	1.475	2	4	6	C[C@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@H]1CCC[NH2+]C1
282123698	ZINC000151693442	ref	6.94	-16.53	0	310.438	2.1	1	3	8	CCCC(=O)N1CCC[C@@H]1C(=O)NCC1(CCOC)CCC1
282123703	ZINC000151697164	ref	6.9	-39.69	1	309.498	2.345	2	2	5	C[C@H](CNC(=O)C[C@@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1
365650298	ZINC000617487246	ref	-1.07	-11.28	0	281.312	0.595	2	5	6	CO[C@H](C(=O)NCc1nc(C(N)=O)co1)C1CCCC1
365650283	ZINC000336563168	ref	6.17	-11.84	0	295.293	2.318	1	4	3	C[C@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cn(C)nn1
365650286	ZINC000336563701	ref	6.03	-12.17	0	289.375	2.437	1	3	3	CO[C@@H](C(=O)N1Cc2ccc(O)cc2C2(CC2)C1)C(C)C
342089302	ZINC000046855329	ref	7.04	-44.99	1	279.384	1.826	2	3	6	Cc1noc(C)c1CCC(=O)NCC[NH+]1CCCCC1
365650289	ZINC000336563141	ref	5.61	-14.86	0	277.349	2.04	0	5	3	COc1ccsc1C(=O)N1CC[C@H](n2cccn2)C1
365650290	ZINC000336563171	ref	4.05	-16.35	0	276.336	2.221	2	3	2	CC(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C)C[C@@H]2C)c1
365650292	ZINC000336563171	high	5.01	-64.25	-1	276.336	2.221	1	3	2	CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@@H](C)C[C@@H]2C)c1
365650293	ZINC000336563481	ref	4.97	-7.3	0	274.43	2.228	0	2	3	CC[C@]1(C)CCN(S(=O)(=O)N2CCCC[C@H]2C)C1
365650297	ZINC000336563503	ref	5.87	-12.71	0	281.377	2.125	1	4	3	CC1(C)CN(C(=O)COc2ccc(O)cc2)CCS1
342089303	ZINC000046855329	high	4.65	-9.9	0	279.384	1.826	1	4	6	Cc1noc(C)c1CCC(=O)NCCN1CCCCC1
342089304	ZINC000625368617	ref	4.74	-34.27	1	259.415	1.48	3	3	4	C[C@H]1CCSCC[N@@H+]1C[C@H](O)CC1(O)CCC1
365650301	ZINC000336563218	ref	3.72	-10.54	0	284.306	2.02	2	2	2	CC1(C)[C@H](O)CCN1C(=O)NCc1ccc(F)cc1F
365650306	ZINC000336563347	ref	3.18	-10.64	0	273.336	2.191	1	4	3	Cc1oc(NC(=O)CN2C[C@@H]3CCC[C@H]32)c(C#N)c1C
342089305	ZINC000625368617	mid	4.41	-35.75	1	259.415	1.48	3	3	4	C[C@H]1CCSCC[N@H+]1C[C@H](O)CC1(O)CCC1
398249729	ZINC000370053959	mid	5.61	-33.14	1	235.327	2.169	2	2	2	Cc1ccc(O)c(C[N@@H+]2CCOC[C@@H](C)C2)c1
365650311	ZINC000336563347	low	7.46	-43.23	1	273.336	2.191	2	3	3	Cc1oc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]32)c(C#N)c1C
365650315	ZINC000336563347	low	6.86	-41.48	1	273.336	2.191	2	3	3	Cc1oc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]32)c(C#N)c1C
365650318	ZINC000336563583	ref	4.99	-7.05	0	274.43	2.085	0	2	3	CC[C@]1(C)CCN(S(=O)(=O)N2CCC(C)CC2)C1
398249733	ZINC000370053959	high	5.94	-33.39	0	235.327	2.169	1	2	2	Cc1ccc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)c1
398249737	ZINC000370053959	high	6.36	-28.83	0	235.327	2.169	1	2	2	Cc1ccc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)c1
342089306	ZINC000622702694	ref	3.45	-10.37	0	251.33	1.336	1	4	4	CCn1ccc(CNC(=O)C2(C)CCOCC2)n1
342089307	ZINC000622702613	ref	3.54	-18.12	0	282.29	1.419	2	2	5	O=C(Cc1cccc(C(F)F)c1)NC[C@H]1CNC(=O)C1
342089308	ZINC000622702622	ref	3.27	-14.54	0	290.367	1.028	2	4	5	Cc1cc(C(=O)NC[C@@H]2CNC(=O)C2)nn1[C@@H](C)C1CC1
342089309	ZINC000622702534	ref	3.68	-16.56	0	282.384	1.367	2	3	5	C[C@@H](OC1CCCCCC1)C(=O)NC[C@@H]1CNC(=O)C1
398249730	ZINC000390798774	ref	1.86	-98.09	2	211.309	-0.146	3	1	3	C[C@]1(C(=O)NC[C@H]2CC[NH2+]C2)CCC[NH2+]1
398249736	ZINC000390798776	ref	1.84	-96.85	2	211.309	-0.146	3	1	3	C[C@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCC[NH2+]1
214200839	ZINC000293780693	low	5.43	-50.69	1	373.457	0.804	2	6	7	CCn1nc(C)c(C(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)n1
398249739	ZINC000390798775	ref	1.82	-96.06	2	211.309	-0.146	3	1	3	C[C@@]1(C(=O)NC[C@@H]2CC[NH2+]C2)CCC[NH2+]1
192340730	ZINC000421452435	ref	6.45	-6.14	0	209.333	2.872	1	1	4	CCCC(C)(C)NC(=O)[C@]12CCC[C@H]1C2
214200843	ZINC000293778311	ref	3.42	-24.72	0	370.335	0.753	1	6	6	CN(C)C(=O)Cn1cc(C(=O)NCCc2cccc(C(F)(F)F)n2)nn1
365650284	ZINC000354730170	ref	3.54	-42.36	1	279.384	1.313	2	4	7	CCn1nccc1C[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1
282952277	ZINC000127638152	ref	8.06	-10.08	0	317.339	2.696	0	3	1	O=C(c1cnn2c1CCCC2)N1CCc2c(F)cc(F)cc2C1
282952285	ZINC000127640300	ref	4.36	-6.2	0	324.258	2.69	2	3	3	COc1cc(F)ccc1NC(=O)C(=O)Nc1cc(F)cc(F)c1
136230238	ZINC000233262307	ref	0.83	-47.57	1	220.338	0.456	2	2	4	CCCS(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1
365650296	ZINC000354730170	high	2.66	-7.35	0	279.384	1.313	2	5	7	CCn1nccc1CN[C@@H](C1CC1)[C@]1(CO)CCCO1
365650299	ZINC000354729482	ref	1.64	-10.55	0	273.292	1.512	3	5	4	CNc1ccc(C(=O)Nc2cccc(OC)c2O)cn1
398249743	ZINC000390801074	ref	4.01	-45.43	1	214.353	1.928	2	1	8	CCC(CC)(CC)C(=O)NCCC[NH2+]C
342089310	ZINC000622702716	ref	4.81	-14.2	0	274.364	1.488	2	2	5	Cc1cc(C)cc(CCC(=O)NC[C@H]2CNC(=O)C2)c1
214200847	ZINC000293782707	ref	3.28	-25.46	0	356.444	0.877	1	5	7	C[C@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O
199273338	ZINC000181264476	ref	9.36	-17.01	0	310.397	2.816	0	2	1	CC(C)(C)c1ccc2c(c1)CN(C(=O)c1ccc[n+]([O-])c1)CC2
230762672	ZINC000425895125	ref	4.72	-5.7	0	322.449	2.026	2	3	5	C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)NCC1(C)CCC(C)CC1
342089311	ZINC000622702571	ref	4.13	-15.83	0	260.337	1.044	2	2	5	CCc1ccc(CC(=O)NC[C@@H]2CNC(=O)C2)cc1
342089312	ZINC000625368695	ref	5.45	-31.84	1	285.428	1.789	3	3	8	COCC[N@H+](C[C@H](O)CC1(O)CCC1)[C@H]1CC[C@@H](C)C1
342089313	ZINC000625368695	mid	5.02	-31.1	1	285.428	1.789	3	3	8	COCC[N@@H+](C[C@H](O)CC1(O)CCC1)[C@H]1CC[C@@H](C)C1
342089314	ZINC000622702691	ref	1.58	-13.57	0	281.381	1.306	2	4	3	CC(C)(C)c1ncsc1C(=O)NC[C@@H]1CNC(=O)C1
342104010	ZINC000609356430	ref	2.3	-15.0	0	281.312	1.159	1	5	4	COC(=O)CC1CCN(C(=O)NCc2cocn2)CC1
342089315	ZINC000034584656	ref	8.53	-14.36	0	259.305	1.854	0	3	3	CCOC(=O)C12CC(CN1C(=O)c1ccccc1)C2
342089316	ZINC000616318402	ref	5.26	-11.62	0	277.368	1.065	1	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2cncn2C1
342089317	ZINC000616318402	low	5.77	-40.46	1	277.368	1.065	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1
342089318	ZINC000032650308	ref	10.93	-78.79	2	274.364	1.922	2	2	4	C[NH+](C)/C=C/C=C1/CC/C(=C/C=C/[NH+](C)C)C(=O)C1=O
342089319	ZINC000032650308	mid	10.11	-42.45	1	274.364	1.922	1	3	4	CN(C)/C=C/C=C1/CC/C(=C/C=C/[NH+](C)C)C(=O)C1=O
342089320	ZINC000032650308	mid	9.27	-21.26	0	274.364	1.922	0	4	4	CN(C)/C=C/C=C1/CC/C(=C/C=C/N(C)C)C(=O)C1=O
342089321	ZINC000600316688	ref	3.67	-17.1	0	278.377	1.471	2	3	5	CS[C@@H](C(=O)N[C@@H]1C[C@@H](C(N)=O)C1)c1ccccc1
365650285	ZINC000625120748	ref	6.28	-8.46	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1C[C@H](C)CC(C)(C)C1)C1CC1
214200840	ZINC000053819680	mid	2.92	-20.19	0	338.36	2.458	2	4	5	COc1ccc(NC(=O)c2ccccc2NS(C)(=O)=O)cc1F
214200842	ZINC000053823530	ref	9.11	-45.04	1	330.678	4.667	1	1	4	C[NH2+][C@@H](Cc1ccc(Cl)s1)c1cccc(Br)c1
214200845	ZINC000053809374	ref	6.89	-40.48	1	329.469	2.426	2	3	5	C[NH+]1CCN(Cc2ccc(C(=O)NCc3ccsc3)cc2)CC1
342089322	ZINC000622702721	ref	3.81	-15.66	0	260.337	1.044	2	2	5	CCc1ccccc1CC(=O)NC[C@H]1CNC(=O)C1
342089323	ZINC000600315222	ref	6.62	-17.62	0	276.292	1.529	0	4	3	O=C(Cc1cccc([N+](=O)[O-])c1)N1CC2(CCCO2)C1
342089324	ZINC000616318401	ref	5.13	-11.24	0	277.368	1.065	1	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2cncn2C1
342089325	ZINC000616318401	low	5.64	-39.86	1	277.368	1.065	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1
342089326	ZINC000617966151	ref	1.85	-7.53	0	254.252	1.217	2	2	6	CCNC(=O)CNC(=O)[C@H](CC)CC(F)(F)F
342089327	ZINC000622702717	ref	4.81	-14.2	0	274.364	1.488	2	2	5	Cc1cc(C)cc(CCC(=O)NC[C@@H]2CNC(=O)C2)c1
342089328	ZINC000600315195	ref	2.42	-23.21	0	263.341	1.231	2	3	4	N#CC1(CC(=O)N[C@@H]2C[C@@H](C(N)=O)C2)CCCCC1
342089329	ZINC000032592912	ref	4.26	-9.02	0	277.349	1.608	1	5	1	Cc1csc2c(=O)n([C@@H]3CCCCNC3=O)cnc12
342089330	ZINC000588343381	ref	7.43	-37.42	1	284.4	1.565	2	3	8	CCOC(=O)C(C)(C)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1
214200848	ZINC000053809374	mid	6.77	-44.4	1	329.469	2.426	2	3	5	CN1CC[NH+](Cc2ccc(C(=O)NCc3ccsc3)cc2)CC1
349535993	ZINC000093299558	ref	0.96	-6.92	0	277.324	0.558	2	4	1	Cc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)cn1
365650287	ZINC000625120373	ref	2.16	-10.75	0	318.464	2.042	1	5	5	Cc1cnc([C@H](C)CNS(=O)(=O)[C@@H]2COC(C)(C)C2)s1
178324669	ZINC000062770460	ref	7.23	-42.56	1	229.323	3.453	1	1	3	Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])o2)c(C)c1
178324673	ZINC000041210606	ref	6.55	-4.32	0	201.244	3.383	1	1	1	Cc1ccc(-c2ccc(F)c(N)c2)cc1
168365586	ZINC000368505081	ref	7.07	-11.21	0	327.811	3.218	2	2	3	O=C(N[C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
178324678	ZINC000035250206	ref	8.54	-37.58	1	227.307	3.507	1	1	4	Cc1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1
178324684	ZINC000035250206	high	7.24	-5.39	0	227.307	3.507	1	2	4	Cc1ccc(-c2ccc(CNC3CC3)o2)cc1
342602534	ZINC000617005084	low	6.69	-83.03	2	290.411	1.434	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCn2cc[nH+]c2C1
342602535	ZINC000617005084	high	4.83	-9.92	0	290.411	1.434	1	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCn2ccnc2C1
398249732	ZINC000651465714	ref	6.41	-42.92	1	284.407	3.34	2	2	3	Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21
178324692	ZINC000062770411	ref	7.0	-38.75	1	249.741	3.798	1	1	3	Cc1ccc(-c2ccc(C[C@H](C)[NH3+])o2)c(Cl)c1
178324695	ZINC000036929592	ref	5.18	-46.47	1	205.232	2.853	1	1	2	Cc1ccc(-c2ccc(C[NH3+])o2)c(F)c1
178324700	ZINC000036929592	mid	4.78	-6.15	0	205.232	2.853	1	2	2	Cc1ccc(-c2ccc(CN)o2)c(F)c1
342602536	ZINC000590875728	ref	7.96	-47.29	1	286.379	1.818	1	3	3	CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ncc(C#N)cc1C
365650288	ZINC000625121145	ref	4.8	-10.55	0	319.467	2.07	1	4	10	CCO[C@@H](CS(=O)(=O)NCCC[C@@H]1CCCCO1)C1CC1
365650295	ZINC000625121125	ref	2.87	-10.08	0	303.346	2.204	1	3	5	CC[C@@H](CC(F)(F)F)NS(=O)(=O)[C@H]1COC(C)(C)C1
199273340	ZINC000181265956	ref	2.99	-12.42	0	319.405	1.593	3	3	7	COC1(CNC(=O)NCCNC(=O)c2ccc(C)cc2)CCC1
342602537	ZINC000590875728	mid	7.34	-44.42	1	286.379	1.818	1	3	3	CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ncc(C#N)cc1C
342602538	ZINC000590875728	mid	5.13	-8.26	0	286.379	1.818	0	4	3	CC[C@H]1CN(CC)CCN1C(=O)c1ncc(C#N)cc1C
342602539	ZINC000590875605	ref	5.1	-42.18	1	293.342	1.283	3	2	2	Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)ccc1F
259310563	ZINC000306864579	high	1.45	-3.41	0	211.227	1.784	1	2	2	C[C@@H]1CC[C@@H](O)CN1CCC(F)(F)F
342602540	ZINC000590875605	mid	5.62	-41.73	1	293.342	1.283	3	2	2	Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1F
168365588	ZINC000368507063	ref	4.85	-9.47	0	340.423	3.22	0	5	4	Cc1oc(-c2ccccc2)nc1CN1CCOC[C@H]1[C@@H]1CCCC1=O
365650300	ZINC000625120375	ref	2.16	-11.98	0	318.464	2.042	1	5	5	Cc1cnc([C@@H](C)CNS(=O)(=O)[C@@H]2COC(C)(C)C2)s1
178324671	ZINC000237673872	ref	4.35	-46.71	1	358.442	1.006	3	3	6	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@](C)(C[NH3+])C3CC3)C2=O)cc1
365650304	ZINC000625121025	ref	2.34	-11.25	0	320.437	2.002	1	5	7	CCC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2cncc(OC)n2)C1
343995656	ZINC000599276999	low	4.76	-36.54	1	290.367	1.824	2	5	6	CCc1nc([C@@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CC2)no1
349535997	ZINC000621500578	ref	7.63	-8.64	0	272.339	3.006	1	1	3	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@H]2CCC[C@H]21
365650305	ZINC000625121025	mid	5.11	-41.59	1	320.437	2.002	2	4	7	CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cncc(OC)n2)C1
342089331	ZINC000588343381	mid	7.35	-38.46	1	284.4	1.565	2	3	8	CCOC(=O)C(C)(C)CC(=O)NC[C@@H](C)[N@@H+](C)C1CC1
342089332	ZINC000588343381	high	5.21	-4.89	0	284.4	1.565	1	4	8	CCOC(=O)C(C)(C)CC(=O)NC[C@@H](C)N(C)C1CC1
342089333	ZINC000046856452	ref	7.47	-50.66	1	298.333	1.946	2	2	6	O=C(COc1ccc(F)cc1F)NCC[NH+]1CCCCC1
178324674	ZINC000237667175	ref	5.49	-48.05	1	350.419	1.59	3	5	10	Cc1ccc(NCCCNC(=O)C[NH2+]C[C@H]2CCCO2)c([N+](=O)[O-])c1
178324677	ZINC000237667175	high	4.16	-14.54	0	350.419	1.59	3	6	10	Cc1ccc(NCCCNC(=O)CNC[C@H]2CCCO2)c([N+](=O)[O-])c1
178324680	ZINC000237666266	ref	5.38	-63.68	1	371.459	1.73	1	5	7	Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC(OCCC[NH3+])CC2)cc1C
190597656	ZINC000270094076	ref	9.15	-10.35	0	295.448	3.364	0	3	8	COCCN(C(=O)C[C@@H](C)SC)[C@@H](C)c1ccccc1
178324683	ZINC000237674013	ref	8.4	-112.07	2	367.497	1.798	2	4	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C[C@H]([NH3+])c1ccccc1
342089334	ZINC000046856452	high	5.08	-15.09	0	298.333	1.946	1	3	6	O=C(COc1ccc(F)cc1F)NCCN1CCCCC1
342089335	ZINC000588343456	ref	7.07	-47.85	1	281.4	1.687	2	3	10	COCC[N@@H+]1CCC[C@H]1CNC(=O)CCCCCC#N
342089336	ZINC000588343456	mid	6.01	-44.28	1	281.4	1.687	2	3	10	COCC[N@H+]1CCC[C@H]1CNC(=O)CCCCCC#N
230239542	ZINC000343178245	ref	-3.91	-16.11	0	282.362	-1.172	3	5	9	CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)CO
230239553	ZINC000343104820	ref	0.8	-15.76	0	271.317	-1.125	2	4	4	CC(=O)N1CCOC[C@@H]1C(=O)NCC(=O)NC(C)C
230239560	ZINC000343173461	ref	-1.88	-12.84	0	299.371	-1.336	2	5	6	C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1
230239565	ZINC000343173461	low	0.57	-44.67	1	299.371	-1.336	3	4	6	C[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1
365650302	ZINC000354729251	ref	5.49	-41.66	1	293.411	1.903	2	3	9	COCCC[N@H+](C)CCNC(=O)c1cccc(C(C)C)n1
365650307	ZINC000354729251	mid	5.49	-41.69	1	293.411	1.903	2	3	9	COCCC[N@@H+](C)CCNC(=O)c1cccc(C(C)C)n1
365650310	ZINC000354729251	high	3.18	-8.81	0	293.411	1.903	1	4	9	COCCCN(C)CCNC(=O)c1cccc(C(C)C)n1
282123699	ZINC000248983123	mid	7.81	-38.54	1	316.467	1.375	2	4	6	CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCSC[C@@H](C)C1)C(=O)OC
349536000	ZINC000093299089	ref	1.76	-8.09	0	295.339	0.713	2	5	2	CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](O)C1
349536007	ZINC000093301035	ref	1.79	-8.41	0	294.355	0.205	2	5	1	Cc1nn(C)c(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)c1C
365650314	ZINC000354730166	ref	3.96	-39.87	1	279.384	1.313	2	4	7	CCn1nccc1C[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1
282123702	ZINC000248983123	mid	6.09	-11.54	0	316.467	1.375	1	5	6	CC[C@H](C)[C@H](NC(=O)CN1CCSC[C@@H](C)C1)C(=O)OC
282123708	ZINC000248981785	ref	4.3	-37.81	1	322.449	1.544	4	3	8	Cc1ccc([C@H](C)NC(=O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO)cc1C
282123711	ZINC000248981785	mid	4.67	-35.0	1	322.449	1.544	4	3	8	Cc1ccc([C@H](C)NC(=O)C[N@H+](C[C@H](C)O)[C@@H](C)CO)cc1C
197609825	ZINC000290140094	ref	3.34	-14.08	0	291.355	2.022	0	7	4	COCC1(c2noc(-c3nnn(C)c3C)n2)CCCCC1
197609828	ZINC000290140515	ref	2.9	-16.02	0	290.323	1.241	1	6	4	Cc1noc(C)c1C[C@H](C)NC(=O)c1cc2n(n1)CCO2
190597658	ZINC000270096233	ref	0.36	-10.54	0	296.371	0.499	3	5	5	CC[C@H](C)[C@@H](O)CNC(=O)C(=O)Nc1c(C)nn(C)c1C
178324686	ZINC000237674013	mid	5.73	-9.65	0	367.497	1.798	3	3	7	C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)C[C@H]([NH3+])c1ccccc1
178324688	ZINC000237674013	high	5.73	-9.65	0	367.497	1.798	2	5	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C[C@H](N)c1ccccc1
282123715	ZINC000248981785	mid	1.31	-9.71	0	322.449	1.544	3	4	8	Cc1ccc([C@H](C)NC(=O)CN(C[C@H](C)O)[C@@H](C)CO)cc1C
342089337	ZINC000588343456	high	4.24	-15.44	0	281.4	1.687	1	4	10	COCCN1CCC[C@H]1CNC(=O)CCCCCC#N
282123718	ZINC000248982526	ref	3.11	-40.49	1	321.373	1.783	3	5	7	COC(=O)c1cc2cc(C[N@H+](C[C@H](C)O)[C@H](C)CO)ccc2o1
342089338	ZINC000008003845	ref	5.9	-54.8	1	295.358	1.958	3	2	6	CCNC(=O)NC(=O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)C
342089339	ZINC000008003845	high	5.13	-18.3	0	295.358	1.958	3	3	6	CCNC(=O)NC(=O)CN[C@@H](c1ccc(F)cc1)C(C)C
342089340	ZINC000600315200	ref	4.96	-17.09	0	292.335	1.423	1	4	2	COC(=O)c1c(C)[nH]c(C(=O)N2CC3(CCCO3)C2)c1C
365650303	ZINC000617486942	ref	-1.56	-12.5	0	288.307	0.726	2	5	6	Cc1cncc(CCC(=O)NCc2nc(C(N)=O)co2)c1
365650308	ZINC000617487214	ref	-3.25	-11.29	0	269.301	0.308	2	5	7	COC[C@H](C)[C@@H](C)C(=O)NCc1nc(C(N)=O)co1
342602541	ZINC000590875605	mid	2.72	-6.47	0	293.342	1.283	2	3	2	Cc1cc(NC(=O)C(=O)N[C@H]2CCCN(C)C2)ccc1F
365650313	ZINC000617487234	ref	-3.03	-12.55	0	283.328	0.577	3	5	6	CC(C)(C)C[C@@H](O)CC(=O)NCc1nc(C(N)=O)co1
365650316	ZINC000617487179	ref	-1.63	-15.51	0	292.299	0.05	2	7	4	CC(C)(C)n1cnc(C(=O)NCc2nc(C(N)=O)co2)n1
342602542	ZINC000617005008	ref	3.44	-11.21	0	291.351	1.142	2	5	8	Cc1cnn(CCC(=O)NC[C@@H](CO)Cc2ccco2)c1
365650321	ZINC000617486950	ref	-2.58	-10.22	0	281.312	0.595	2	5	6	C[C@@H](CC(=O)NCc1nc(C(N)=O)co1)[C@H]1CCCO1
365650325	ZINC000617487151	ref	-2.15	-12.75	0	267.285	0.203	2	5	4	C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NCc1nc(C(N)=O)co1
342602543	ZINC000617005307	ref	5.81	-35.6	1	291.399	1.457	2	4	6	C=CCCn1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)nn1
282123701	ZINC000247974306	mid	4.73	-43.41	1	333.476	2.53	4	2	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1
342602544	ZINC000617005307	mid	4.54	-36.19	1	291.399	1.457	2	4	6	C=CCCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)nn1
342602545	ZINC000617005307	high	2.78	-8.6	0	291.399	1.457	1	5	6	C=CCCn1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)nn1
398249735	ZINC000651465714	low	6.34	-39.74	1	284.407	3.34	2	2	3	Cc1[nH]ncc1[C@@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21
342602546	ZINC000617005167	ref	4.94	-41.01	1	291.395	1.838	2	3	5	C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602547	ZINC000617005167	mid	6.19	-40.45	1	291.395	1.838	2	3	5	C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602548	ZINC000617005167	high	3.16	-11.46	0	291.395	1.838	1	4	5	C[C@@H](Oc1ccccn1)C(=O)NC[C@@H]1CCN1C(C)(C)C
342602549	ZINC000590875705	ref	3.85	-21.67	0	282.303	1.896	2	5	2	C[C@H]1C[C@H](NC(=O)c2cc(O)cc(C#N)c2)c2nccn21
365650331	ZINC000617487170	ref	-2.51	-9.69	0	281.312	0.595	2	5	5	CO[C@@H]1CCC[C@@H](C(=O)NCc2nc(C(N)=O)co2)C1
282123706	ZINC000247974306	high	3.35	-11.3	0	333.476	2.53	3	3	7	CCC(CC)(CO)CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1
282123713	ZINC000343831133	ref	2.95	-10.51	0	300.443	2.144	3	3	7	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C
365650335	ZINC000617486948	ref	-2.56	-9.87	0	281.312	0.595	2	5	6	C[C@H](CC(=O)NCc1nc(C(N)=O)co1)[C@H]1CCCO1
398254279	ZINC000381615839	ref	6.95	-98.3	2	210.365	2.106	2	0	2	C[C@H]1CCC[C@@H](C)C[N@H+]1C[C@@H]1CC[NH2+]C1
282123707	ZINC000408419860	high	2.99	-16.65	0	308.386	0.085	1	6	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCn3ncnc32)CCO1
365650309	ZINC000625121025	mid	4.69	-39.79	1	320.437	2.002	2	4	7	CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1
365650312	ZINC000625120826	ref	2.29	-8.96	0	315.426	2.384	2	3	7	CCC(F)(F)C(C)(C)CS(=O)(=O)N[C@H](CO)C(C)(C)C
178324694	ZINC000237666364	ref	7.09	-57.34	1	361.486	1.796	2	3	8	C[C@H](CC(=O)NCc1cccc(OCC(=O)N(C)C)c1)[C@@H]1CCC[NH2+]C1
168365590	ZINC000368504942	ref	5.65	-8.34	0	328.416	3.381	1	5	5	CC(C)[C@@H](NC(=O)C1CC(C)(C)C1)c1nc(-c2cccnc2)no1
178324698	ZINC000237675137	ref	3.92	-49.05	1	361.471	1.296	2	6	5	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@@H]([NH3+])C1CC1
365650317	ZINC000625121594	ref	4.55	-18.05	0	320.37	2.431	1	6	3	COC1CC(C(=O)Nc2nc3cc4c(cc3s2)OCCO4)C1
178324702	ZINC000237669182	ref	1.14	-48.87	1	367.393	1.691	2	4	7	O=S(=O)(NCC[C@@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)nc1
178324704	ZINC000237673075	ref	5.01	-45.22	1	358.442	1.102	2	3	4	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCC[C@H]3C[NH3+])C2=O)cc1
365650320	ZINC000625119104	ref	0.15	-7.41	0	303.366	2.329	0	7	5	COc1cncc(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1
230763508	ZINC000450601080	ref	5.67	-42.84	1	312.454	1.666	2	3	7	CO[C@H]1COCC[C@@H]1CC(=O)NCC1(C[NH+](C)C)CCCC1
398249738	ZINC000651465714	high	5.42	-6.08	0	284.407	3.34	2	3	3	Cc1n[nH]cc1[C@@H](C)N[C@@H]1CCCN(C)c2ccccc21
178324714	ZINC000237673827	ref	4.04	-54.48	1	365.499	1.264	1	3	3	Cc1ccc(C)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)c1
178324717	ZINC000237675594	ref	6.15	-45.31	1	364.534	1.025	1	3	4	C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1
398249741	ZINC000651467252	ref	5.97	-10.72	0	265.353	3.006	0	3	4	CCCC(C)(C)C(=O)N1CCO[C@@H](c2ccco2)C1
168365592	ZINC000368507484	ref	10.23	-37.67	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@@H+]1C[C@@H]2CCCCCC[C@H]21
178324722	ZINC000237671189	ref	4.42	-41.46	1	357.376	1.338	1	4	3	O=C([C@H]1COCCN1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
178324725	ZINC000237671189	mid	4.42	-41.46	1	357.376	1.338	1	3	3	O=C([C@H]1COCC[NH2+]1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
178324728	ZINC000237677697	ref	3.13	-53.82	1	351.472	1.392	2	3	5	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@](C)(C[NH3+])C1CC1
168367859	ZINC000071452054	high	-4.0	-28.26	0	169.18	0.823	3	3	1	C[C@@H]([NH3+])c1c([O-])cc(O)cc1O
282123710	ZINC000151697164	mid	4.53	-5.26	0	309.498	2.345	1	3	5	C[C@H](CNC(=O)C[C@@H]1CCCC(C)(C)C1)N1CCN(C)CC1
365650319	ZINC000354730166	high	2.56	-7.81	0	279.384	1.313	2	5	7	CCn1nccc1CN[C@@H](C1CC1)[C@@]1(CO)CCCO1
342602550	ZINC000590875705	mid	4.61	-44.42	-1	282.303	1.896	1	5	2	C[C@H]1C[C@H](NC(=O)c2cc([O-])cc(C#N)c2)c2nccn21
365650323	ZINC000354729807	ref	3.32	-15.81	0	268.744	1.571	2	2	5	Cc1ccc(CC(=O)N[C@@H](C)CC(N)=O)c(Cl)c1
342602551	ZINC000590875705	low	4.32	-38.79	1	282.303	1.896	2	4	2	C[C@H]1C[C@H](NC(=O)c2cc(O)cc(C#N)c2)c2[nH+]ccn21
342609845	ZINC000590928788	high	4.3	-8.17	0	271.43	1.473	1	3	3	CCN1C[C@H](C)[C@@H](NC(=O)N2CC[C@H](SC)C2)C1
214200846	ZINC000337655109	ref	9.52	-14.99	0	282.347	2.053	1	4	5	O=C(NCc1ccccc1Cn1cncn1)C1=CCCC1
230762710	ZINC000450599588	ref	5.51	-8.76	0	303.362	1.353	1	5	4	CCO[C@@H]1C[C@H](NC(=O)c2ccc(C#N)n2C)[C@@]12CCCO2
290624400	ZINC000302038748	ref	2.74	-7.2	0	260.341	1.592	1	4	2	C[C@H]1CC[C@@]2(CCN(c3ccc(C(N)=O)nn3)C2)C1
290624406	ZINC000359186680	ref	7.24	-11.54	0	329.412	3.307	0	2	3	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3c(F)cccc3F)C2)C1
342609846	ZINC000590928969	ref	4.52	-17.17	0	290.404	1.82	1	2	3	CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)N2CC[C@H](F)C2)C1
342609847	ZINC000590930443	ref	2.72	-14.52	0	272.414	1.633	2	2	3	CC1(C)CCC[C@@H]1CNC(=O)N[C@@H]1CC[S@](=O)C1
168365593	ZINC000368507484	mid	10.1	-39.34	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@H+]1C[C@@H]2CCCCCC[C@H]21
342609848	ZINC000590930459	ref	3.76	-20.73	0	284.425	1.943	2	2	5	C=CCC1(CNC(=O)N[C@@H]2CC[S@@](=O)C2)CCCC1
398249742	ZINC000370113769	ref	8.33	-101.21	2	222.376	2.391	2	0	4	C[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)C1CC1
342609849	ZINC000590930481	ref	3.6	-17.08	0	296.367	1.502	2	2	3	O=C(N[C@@H]1CC[S@](=O)C1)N[C@@H]1C[C@H]1c1ccccc1F
342609850	ZINC000590930442	ref	2.8	-20.42	0	272.414	1.633	2	2	3	CC1(C)CCC[C@@H]1CNC(=O)N[C@@H]1CC[S@@](=O)C1
342609851	ZINC000590927489	ref	3.21	-12.01	0	289.335	1.332	2	4	4	CO[C@@H]1COC[C@@H]1NC(=O)N[C@@H](C)c1cccc(C#N)c1
342609852	ZINC000590927770	ref	4.81	-45.39	1	283.375	1.81	2	2	3	Cc1[nH]c2ccccc2c1C(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1
230762716	ZINC000450599259	ref	5.76	-8.38	0	320.414	1.672	1	4	5	CO[C@H](Cc1ccccc1)CN1C(=O)N[C@@]2(CCSC2)C1=O
342609853	ZINC000590927963	ref	4.3	-15.38	0	273.336	1.784	2	3	2	C[C@@H](NC(=O)N1CC[C@@H](O)[C@H]1C)c1cccc(C#N)c1
342609854	ZINC000590927488	ref	3.21	-11.96	0	289.335	1.332	2	4	4	CO[C@@H]1COC[C@@H]1NC(=O)N[C@H](C)c1cccc(C#N)c1
214200851	ZINC000053809374	mid	4.52	-7.48	0	329.469	2.426	1	4	5	CN1CCN(Cc2ccc(C(=O)NCc3ccsc3)cc2)CC1
398249744	ZINC000381290332	mid	6.76	-45.29	1	241.743	3.593	1	2	4	Cc1cc(C[NH2+]Cc2ccc(Cl)o2)cs1
282123714	ZINC000151697164	low	6.69	-39.18	1	309.498	2.345	2	2	5	C[C@H](CNC(=O)C[C@@H]1CCCC(C)(C)C1)[NH+]1CCN(C)CC1
365650322	ZINC000336563411	ref	4.18	-12.17	0	288.322	2.359	1	3	1	CC1(C)[C@@H](O)CCN1C(=O)c1cnc2ccc(F)cc2c1
230762714	ZINC000414483353	ref	6.85	-12.0	0	302.418	3.137	1	3	5	C[C@@H](CNc1cccc2c1CN(C)C2=O)CC1CCOCC1
365650326	ZINC000336563317	ref	7.2	-10.8	0	266.301	2.226	2	4	3	CSc1nc(NC(=O)c2ccc(F)cc2C)n[nH]1
398249748	ZINC000381270601	ref	7.51	-11.64	0	245.311	1.422	1	5	3	c1ccc2sc(=NCCn3cnnc3)[nH]c2c1
342089341	ZINC000617966150	ref	5.43	-11.62	0	293.363	1.924	1	4	6	COC[C@H](NC(=O)[C@@H]1OCC[C@@H]1C)c1cccc(OC)c1
342089342	ZINC000032592913	ref	4.52	-13.1	0	277.349	1.608	1	5	1	Cc1csc2c(=O)n([C@H]3CCCCNC3=O)cnc12
168365595	ZINC000368504940	ref	5.43	-8.94	0	328.416	3.381	1	5	5	CC(C)[C@H](NC(=O)C1CC(C)(C)C1)c1nc(-c2cccnc2)no1
342089343	ZINC000616318403	ref	5.13	-11.97	0	277.368	1.065	1	4	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2cncn2C1
168365598	ZINC000368508877	ref	7.69	-51.38	1	341.48	3.265	2	3	5	Cc1ccc(-c2csc(C[NH2+][C@H]3CCC(=O)N[C@H]3C3CC3)n2)cc1
342089344	ZINC000616318403	low	5.65	-41.66	1	277.368	1.065	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1
342089345	ZINC000609049907	ref	3.35	-14.18	0	256.375	1.452	2	4	5	CSCCNC(=O)N[C@H](C)c1cn(C)nc1C
342089346	ZINC000106772148	ref	2.48	-51.78	-1	276.292	1.468	0	6	4	COc1cc2c(cc1OC)C(/C(=N/[O-])C(C)=O)=NCC2
342089347	ZINC000609049908	ref	3.34	-14.22	0	256.375	1.452	2	4	5	CSCCNC(=O)N[C@@H](C)c1cn(C)nc1C
342089348	ZINC000600316774	ref	5.57	-22.05	0	292.291	1.608	0	5	3	COc1ccc(C(=O)N2CC3(CCCO3)C2)cc1[N+](=O)[O-]
168367860	ZINC000062890922	ref	5.52	-40.17	1	212.337	1.633	1	1	4	CCC(CC)N(C)C(=O)[C@]1(C)CC[NH2+]C1
214200854	ZINC000053814795	ref	6.58	-16.22	0	336.436	2.035	1	5	7	CCN(C(=O)CN(C)CC(=O)Nc1cc(C)on1)C1CCCCC1
214202798	ZINC000278513587	high	6.9	-14.17	0	318.808	2.309	2	3	4	Cc1[nH]cnc1CC(=O)N[C@H]1CCN(c2cccc(Cl)c2)C1
214202800	ZINC000278512470	ref	6.73	-54.28	1	320.458	2.796	3	3	4	O=C(Nc1ccc(O)cc1)C1CC[NH+](C[C@H]2CCSC2)CC1
214202803	ZINC000278512193	ref	2.69	-26.93	0	307.35	1.027	3	5	6	Cc1[nH]c(=O)c(C#N)c(C)c1CCC(=O)NOCC(C)(C)O
178324705	ZINC000036929571	ref	5.14	-48.15	1	205.232	2.853	1	1	2	Cc1ccc(-c2ccc(C[NH3+])o2)cc1F
178324708	ZINC000036929571	mid	4.74	-4.87	0	205.232	2.853	1	2	2	Cc1ccc(-c2ccc(CN)o2)cc1F
178324712	ZINC000065341819	ref	5.58	-8.51	0	230.238	3.319	1	2	2	Cc1ccc(-c2ccc(C=O)c(O)c2)cc1F
178324718	ZINC000065341819	high	7.94	-56.78	-1	230.238	3.319	0	2	2	Cc1ccc(-c2ccc(C=O)c([O-])c2)cc1F
365650324	ZINC000625120919	ref	5.91	-13.11	0	319.43	2.249	1	4	3	Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cnc(C)n1C)[C@H](C)C2
365650328	ZINC000625120263	ref	2.76	-11.36	0	319.373	2.056	1	3	3	Cc1ccc(S(=O)(=O)N2CCC(C)(CO)CC2)c(F)c1F
178324721	ZINC000065340925	ref	6.36	-6.16	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(F)c(O)c2)c(Cl)c1
365650334	ZINC000625121612	ref	3.43	-11.13	0	319.373	2.367	1	3	4	Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@@H](C)C2)c(F)c1F
365650337	ZINC000625121612	high	3.37	-46.09	-1	319.373	2.367	0	3	4	Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@@H](C)C2)c(F)c1F
178324724	ZINC000065340925	high	7.11	-49.89	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc(F)c([O-])c2)c(Cl)c1
342089349	ZINC000609049797	ref	6.87	-44.2	1	259.419	1.475	2	2	4	CSCCNC(=O)N1CCC[N@@H+](C(C)C)CC1
178324730	ZINC000004204242	ref	6.44	-6.07	0	212.292	3.463	1	1	2	Cc1ccc(-c2ccc(CO)cc2)cc1C
178324733	ZINC000009280346	ref	9.89	-45.53	-1	243.306	3.018	0	3	4	Cc1ccc(-c2ccc(CCC(=O)[O-])n2C)cc1
178324738	ZINC000001256693	ref	9.92	-46.78	-1	226.275	3.289	0	2	3	Cc1ccc(-c2ccc(CC(=O)[O-])cc2)cc1
178324745	ZINC000065343039	ref	6.29	-4.9	0	218.683	4.021	1	1	1	Cc1ccc(-c2ccc(Cl)c(O)c2)cc1
178324749	ZINC000065343039	mid	7.04	-44.49	-1	218.683	4.021	0	1	1	Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1
178324752	ZINC000041228237	ref	7.07	-4.45	0	215.271	3.692	1	1	1	Cc1ccc(-c2ccc(F)c(N)c2)cc1C
343995657	ZINC000599276999	low	4.47	-41.89	1	290.367	1.824	2	5	6	CCc1nc([C@@H]2CCC[N@H+]2C[C@H](O)CC2(C#N)CC2)no1
197609857	ZINC000163063497	ref	6.45	-11.56	0	315.398	2.797	1	5	5	Cc1ncc(CNC(=O)C(C)(C)Oc2ccc(C#N)cc2)s1
343995660	ZINC000599276480	ref	6.19	-36.51	0	289.339	1.723	1	4	5	Cc1[nH+][n-]c2nnc(NC(=O)[C@@H](C)OCC3CC3)c-2c1C
398254280	ZINC000381615839	mid	6.97	-100.62	2	210.365	2.106	2	0	2	C[C@H]1CCC[C@@H](C)C[N@@H+]1C[C@@H]1CC[NH2+]C1
342089350	ZINC000609049797	mid	6.73	-45.02	1	259.419	1.475	2	2	4	CSCCNC(=O)N1CCC[N@H+](C(C)C)CC1
342089351	ZINC000609049797	high	4.98	-9.31	0	259.419	1.475	1	3	4	CSCCNC(=O)N1CCCN(C(C)C)CC1
342089352	ZINC000121734366	ref	2.55	-15.06	0	262.419	1.879	2	2	8	CCC(CC)CNC(=O)NCC[C@H](C)[S@](C)=O
342602552	ZINC000590877008	ref	6.58	-8.62	0	295.379	1.651	1	4	3	COC(=O)C1(NC(=O)[C@H]2CC3CCC2CC3)CCOCC1
197609858	ZINC000290140940	ref	1.7	-5.61	0	250.22	2.308	1	3	4	CCCc1nc(C(=O)N[C@@H](C)C(F)(F)F)co1
214200852	ZINC000293782242	ref	4.59	-25.45	0	363.439	0.933	1	5	4	O=C(Nc1cccc(C2CC2)n1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1
214200856	ZINC000293779351	ref	4.18	-17.39	0	371.397	0.961	1	7	2	O=C(Nc1cccc(-n2ccnn2)c1)C(=O)N1CCC2(CC1)OCCCO2
342602553	ZINC000617005622	ref	2.89	-47.7	1	283.416	1.123	3	2	6	CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602554	ZINC000617005622	mid	2.4	-47.13	1	283.416	1.123	3	2	6	CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602555	ZINC000617005622	high	0.79	-11.34	0	283.416	1.123	2	3	6	CC(C)C[C@H](C(N)=O)C(=O)NC[C@H]1CCN1C(C)(C)C
361824049	ZINC000339741489	high	6.55	-12.28	0	277.393	1.798	0	5	5	Cc1ccc2nc(CSCCN(C)C)cc(=O)n2c1
361824054	ZINC000531825648	ref	5.2	-13.79	0	262.357	1.851	2	2	3	CCN(C(=O)N[C@@H]1CCc2c[nH]nc2C1)C1CCC1
342602556	ZINC000590878260	ref	6.25	-7.39	0	293.367	1.824	2	4	6	CCCc1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)OCC)[nH]n1
342602557	ZINC000590876920	ref	3.15	-13.05	0	271.357	1.245	2	4	8	COC(=O)CC(C)(C)CC(=O)NCCC1(CO)CC1
342602558	ZINC000590877022	ref	6.06	-17.65	0	299.374	1.544	2	3	7	C[C@H](NC(=O)CC1(C#N)CC1)C(=O)NCCc1ccccc1
398249745	ZINC000651467318	ref	7.82	-46.65	1	293.455	3.414	1	3	6	Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC[C@H]1CCOC1
178324711	ZINC000082826904	ref	6.76	-53.59	1	253.309	2.085	2	3	1	[NH3+][C@@H]1CCCc2c1cnn2-c1nc2ccccc2[nH]1
342602559	ZINC000617005774	ref	7.28	-38.62	1	278.4	1.577	3	2	5	C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
197609877	ZINC000290140270	ref	6.66	-10.01	0	281.352	2.47	1	4	7	COC(=O)Cc1occ(C)c1C(=O)NCCCC(C)C
197609878	ZINC000290140349	ref	10.23	-9.95	0	288.366	3.437	0	2	7	CCCN(Cc1ccc(C#N)cc1)C(=O)C1(CCF)CC1
342602560	ZINC000617005774	mid	6.17	-38.79	1	278.4	1.577	3	2	5	C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602561	ZINC000617005774	mid	6.58	-40.91	1	278.4	1.577	3	2	5	C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602562	ZINC000617005774	mid	5.47	-41.06	1	278.4	1.577	3	2	5	C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602563	ZINC000617005774	low	7.09	-81.87	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602564	ZINC000617005774	low	5.98	-80.81	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342089353	ZINC000624214256	ref	6.43	-42.31	1	273.384	1.693	2	4	5	C[C@H]1CCCC[N@@H+]1CCNCc1cnc2ccnn2c1
168365596	ZINC000301718004	ref	6.4	-5.54	0	227.377	3.51	1	4	6	CCC(CC)CNc1nnc(C(C)C)s1
398249746	ZINC000370113769	mid	6.14	-35.14	1	222.376	2.391	1	1	4	C[C@@H]([NH2+]C1CC(N2CCCCC2)C1)C1CC1
282125980	ZINC000249000979	ref	4.84	-15.95	0	301.452	1.997	1	3	5	C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[S@](=O)C[C@@H]1CCCO1
342089354	ZINC000624214256	mid	6.11	-42.89	1	273.384	1.693	2	4	5	C[C@H]1CCCC[N@H+]1CCNCc1cnc2ccnn2c1
342089355	ZINC000624214256	mid	5.29	-57.38	1	273.384	1.693	1	4	5	C[C@H]1CCCCN1CC[NH2+]Cc1cnc2ccnn2c1
342089356	ZINC000624214256	high	3.94	-8.22	0	273.384	1.693	1	5	5	C[C@H]1CCCCN1CCNCc1cnc2ccnn2c1
349536002	ZINC000621499573	ref	7.72	-10.41	0	286.366	3.398	1	1	3	O=C(NCC[C@H]1CC1(F)F)N1CCC2(CCCCC2)C1
342089357	ZINC000588343321	ref	4.27	-14.14	0	298.314	1.509	2	4	7	COC(=O)c1ccc(OCCNC(=O)N[C@@H](C)CF)cc1
342089358	ZINC000609050093	ref	6.24	-17.87	0	287.429	1.249	1	3	4	CSCCNC(=O)N1CCCN(C(=O)C(C)C)CC1
342089359	ZINC000071929200	low	6.27	-51.59	1	296.374	1.304	2	3	3	C[NH+](C)C1=C2CCN(Cc3ccccc3)[C@H]2[C@H](C#N)C(=O)N1
342089360	ZINC000071929200	low	6.46	-43.58	1	296.374	1.304	2	3	3	C[NH+](C)C1=C2CCN(Cc3ccccc3)[C@H]2C(C#N)C(=O)N1
342089361	ZINC000609049827	ref	5.34	-15.04	0	283.397	1.603	1	4	8	COCCN(Cc1cccnc1)C(=O)NCCSC
342089362	ZINC000622702733	ref	4.36	-16.68	0	296.317	1.54	2	2	6	O=C(CCCc1cc(F)ccc1F)NC[C@H]1CNC(=O)C1
342089363	ZINC000008003847	ref	5.91	-54.96	1	295.358	1.958	3	2	6	CCNC(=O)NC(=O)C[NH2+][C@H](c1ccc(F)cc1)C(C)C
342089364	ZINC000008003847	high	4.66	-19.81	0	295.358	1.958	3	3	6	CCNC(=O)NC(=O)CN[C@H](c1ccc(F)cc1)C(C)C
342089365	ZINC000074123396	ref	0.68	-8.39	0	265.269	1.343	1	6	6	COCCc1noc([C@H](C)NC(=O)c2ccco2)n1
342089366	ZINC000588343322	ref	4.27	-14.23	0	298.314	1.509	2	4	7	COC(=O)c1ccc(OCCNC(=O)N[C@H](C)CF)cc1
342089367	ZINC000609050239	ref	4.86	-15.83	0	268.386	1.662	2	3	4	CSCCNC(=O)N1CCC[C@H](c2ncc[nH]2)C1
342089368	ZINC000609050239	low	5.35	-37.7	1	268.386	1.662	2	2	4	CSCCNC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1
342089369	ZINC000622702725	ref	3.89	-15.37	0	260.337	1.351	2	2	4	Cc1cccc([C@@H](C)C(=O)NC[C@@H]2CNC(=O)C2)c1
342089370	ZINC000100837945	ref	6.48	-12.44	0	272.366	1.856	0	5	5	CCS[C@H](C)C[C@@H]1CC(=O)CC(=O)[C@@H]1C(=O)OC
398249750	ZINC000369281690	ref	5.34	-45.29	1	218.304	1.213	2	3	2	CC(C)=CC[N@@H+]1CCc2nnc(N)cc2C1
342602565	ZINC000617005774	low	7.08	-81.88	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
197609867	ZINC000163060048	ref	5.36	-15.7	0	307.394	1.361	0	5	3	Cc1noc(C)c1CN1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1
197609869	ZINC000163060048	low	7.79	-56.53	1	307.394	1.361	1	4	3	Cc1noc(C)c1C[NH+]1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1
342602566	ZINC000617005774	low	5.97	-80.87	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
365650327	ZINC000354728975	ref	0.79	-9.33	0	288.307	1.684	2	5	3	COc1nn(C)cc1NC(=O)N[C@@H]1COc2ccccc21
342602567	ZINC000617005774	high	4.27	-10.03	0	278.4	1.577	2	3	5	C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN1C(C)(C)C
398249747	ZINC000097163157	ref	4.32	-11.33	0	210.233	0.998	0	4	2	Cc1noc(C)c1CC(=O)N1CCCO1
214200855	ZINC000337656248	ref	5.14	-8.45	0	259.215	3.077	0	4	2	Fc1ccc(-c2nc(-c3cccc(F)c3)no2)nc1
342602568	ZINC000617005774	high	3.57	-9.81	0	278.4	1.577	2	3	5	C[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN1C(C)(C)C
342602569	ZINC000590878350	ref	6.22	-11.9	0	287.319	1.415	1	5	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cccc(C#N)n1
197609879	ZINC000163062242	ref	3.39	-11.63	0	302.396	1.648	0	4	6	CCN(CC(C)C)C(=O)c1coc(S(=O)(=O)N(C)C)c1
197609881	ZINC000163064717	ref	7.22	-23.79	0	310.361	2.495	2	6	4	CC(=O)Nc1cccc([C@H](C)Nc2ncnc3nn(C)cc23)c1
197609882	ZINC000163059473	ref	4.97	-10.1	0	306.406	2.169	2	3	6	CC[C@H](Oc1ccccc1C)C(=O)N[C@@H](C(N)=O)C(C)(C)C
342602570	ZINC000617005597	ref	4.45	-36.64	1	290.407	1.751	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CO)c1ccccc1
365650329	ZINC000354729382	ref	4.72	-7.9	0	283.324	1.629	1	5	6	COC[C@@H](NC(=O)c1cc(C(C)C)oc1C)C(=O)OC
197609887	ZINC000163062717	ref	6.82	-11.67	0	324.833	3.417	1	4	5	Cc1ncc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)s1
342602571	ZINC000617005597	mid	6.02	-36.56	1	290.407	1.751	3	2	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H](CO)c1ccccc1
342602572	ZINC000617005597	high	3.12	-8.94	0	290.407	1.751	2	3	5	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H](CO)c1ccccc1
342602573	ZINC000617005674	ref	3.8	-35.34	1	284.4	1.029	2	3	5	COC[C@]1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOC1
342602574	ZINC000617005674	mid	3.2	-34.9	1	284.4	1.029	2	3	5	COC[C@]1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOC1
214200857	ZINC000337654195	ref	6.32	-14.54	0	295.387	0.67	1	6	5	CC[C@@H](C)c1nnc(N2CCO[C@H](CNC(C)=O)C2)n1C
343995661	ZINC000079969679	mid	7.3	-43.14	1	266.307	2.127	1	1	2	CC(C)[N@H+]1CCCN(C(=O)[C@@H](C)C(F)(F)F)CC1
365650330	ZINC000336563317	mid	7.14	-8.12	0	266.301	2.226	2	4	3	CSc1n[nH]c(NC(=O)c2ccc(F)cc2C)n1
178324731	ZINC000237661538	ref	7.52	-48.56	1	371.397	1.306	2	6	6	Cc1cc(=O)c(C(=O)N[C@](C)(C[NH3+])C2CC2)nn1-c1ccccc1[N+](=O)[O-]
178324736	ZINC000237680664	ref	9.17	-51.72	-1	368.433	1.856	2	4	9	Cc1ccc(CCC(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1
178324739	ZINC000237680432	ref	3.94	-47.84	1	351.472	1.343	1	3	3	CC(=O)N1CCc2ccc(S(=O)(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc21
178324741	ZINC000237663530	ref	2.24	-10.77	0	361.471	1.54	2	7	5	C[C@H]1CN(c2ccc(CNC(=O)c3csc(CN)n3)cn2)C[C@@H](C)O1
365650333	ZINC000336563317	high	7.0	-45.44	-1	266.301	2.226	1	4	3	CSc1nnc(NC(=O)c2ccc(F)cc2C)[n-]1
178324743	ZINC000237663530	mid	2.64	-55.48	1	361.471	1.54	2	6	5	C[C@H]1CN(c2ccc(CNC(=O)c3csc(C[NH3+])n3)cn2)C[C@@H](C)O1
365650338	ZINC000336563317	high	6.97	-45.71	-1	266.301	2.226	1	4	3	CSc1n[n-]c(NC(=O)c2ccc(F)cc2C)n1
365650343	ZINC000336563317	high	6.98	-45.23	-1	266.301	2.226	1	4	3	CSc1nc(NC(=O)c2ccc(F)cc2C)n[n-]1
349536006	ZINC000594971113	high	6.79	-11.99	0	298.289	2.622	1	4	8	O=[N+]([O-])c1ccccc1/C=C/CNCCO[C@H]1CC1(F)F
365650347	ZINC000336563324	ref	5.2	-8.38	0	271.426	2.218	0	3	2	CC1(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)CCC1
365650356	ZINC000336563692	ref	4.29	-8.87	0	285.413	2.009	0	4	4	CC[C@@H](C)[C@@H]1CCCCN1S(=O)(=O)c1ccnn1C
365650367	ZINC000336563264	ref	6.75	-12.59	0	278.4	2.183	1	3	3	C[C@H]1CCC[C@H](C)N(C(=O)NCCc2cnn(C)c2)C1
365650374	ZINC000336563547	ref	4.77	-41.49	1	287.407	2.007	2	2	3	Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@]2(CC[NH2+]C2)C1
214200858	ZINC000337657308	ref	5.31	-56.73	1	289.335	2.011	3	3	5	C[C@H](c1cc2ccccc2o1)[N@H+](C)CCC(=O)NC(N)=O
222609479	ZINC000291777442	ref	0.85	-13.64	0	311.323	1.367	1	8	5	CCOC(=O)Nc1scnc1C(=O)N(C)Cc1ncon1
178324746	ZINC000237663530	low	2.96	-99.15	2	361.471	1.54	2	5	5	C[C@H]1CN(c2ccc(CNC(=O)c3csc(C[NH3+])n3)c[nH+]2)C[C@@H](C)O1
178324750	ZINC000237661484	ref	2.32	-46.42	1	362.861	1.949	2	4	7	O=C(CCc1ncc(-c2ccccc2Cl)o1)NCCN1CC[NH2+]CC1
365650379	ZINC000336563547	low	7.18	-105.44	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1
349539022	ZINC000602465543	high	7.8	-11.07	0	235.375	3.188	0	3	9	CC(C)CCN(CCC#N)C[C@H](C)CCC#N
365650385	ZINC000336563547	low	7.17	-98.19	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1
365650332	ZINC000354730378	ref	6.46	-45.51	1	280.412	1.624	2	2	5	O=C1CCCN1[C@H]1CC[N@@H+](C[C@H](O)CC2CCCC2)C1
365650336	ZINC000354730378	mid	6.64	-37.74	1	280.412	1.624	2	2	5	O=C1CCCN1[C@H]1CC[N@H+](C[C@H](O)CC2CCCC2)C1
398249749	ZINC000651465693	ref	4.69	-5.43	0	251.37	3.221	2	3	8	CCc1ccc(N[C@@H](C)CCCCO)cc1OC
398249753	ZINC000651467274	ref	7.96	-50.33	1	281.346	3.358	1	1	5	Fc1cc(F)c2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCOC1)CC2
342089371	ZINC000100837945	mid	6.13	-42.78	-1	272.366	1.856	1	5	5	CCS[C@H](C)C[C@@H]1CC(=O)CC(O)=C1C(=O)OC
365650339	ZINC000354730378	high	3.95	-9.07	0	280.412	1.624	1	3	5	O=C1CCCN1[C@H]1CCN(C[C@H](O)CC2CCCC2)C1
365650344	ZINC000354729094	ref	0.1	-13.62	0	299.286	1.467	2	5	5	O=C(CNC(=O)c1ccco1)NCc1nc2ccccc2o1
365650348	ZINC000354729308	ref	0.77	-4.82	0	268.323	1.716	1	3	5	C[C@H](O)CCCN1CCN(CC(F)(F)F)[C@@H](C)C1
190496650	ZINC000269465034	ref	3.49	-13.86	0	268.288	1.141	1	4	7	CCO[C@H]1C[C@H]1C(=O)NCCOc1ncccc1F
230762738	ZINC000450596297	ref	0.13	-8.39	0	317.349	1.29	0	8	4	COc1cc(-c2noc(CN3CCOCC34CCC4)n2)ncn1
365650352	ZINC000354729308	mid	3.59	-36.84	1	268.323	1.716	2	2	5	C[C@H](O)CCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1
365650357	ZINC000354729308	mid	3.03	-34.87	1	268.323	1.716	2	2	5	C[C@H](O)CCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1
398249756	ZINC000651467821	ref	6.51	-44.04	1	285.338	3.029	1	3	4	C[C@@H]1C[C@H]([NH2+]C2CCC(OC(F)F)CC2)c2nccn21
214200859	ZINC000293783052	ref	0.27	-24.34	0	372.443	0.172	1	6	7	COc1ccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1OCCO
168367863	ZINC000043296695	ref	4.45	-39.92	1	185.311	2.175	1	1	4	C[C@@H]([NH3+])[C@H](OCC1CC1)C(C)(C)C
342089372	ZINC000100837945	high	6.14	-43.64	-1	272.366	1.856	0	5	5	CCS[C@H](C)C[C@@H]1CC(=O)C=C([O-])[C@@H]1C(=O)OC
342089373	ZINC000100837945	high	6.14	-43.64	-1	272.366	1.856	0	5	5	CCS[C@H](C)C[C@@H]1CC([O-])=CC(=O)[C@@H]1C(=O)OC
342089374	ZINC000600316690	ref	3.44	-16.31	0	278.377	1.471	2	3	5	CS[C@H](C(=O)N[C@@H]1C[C@@H](C(N)=O)C1)c1ccccc1
342089375	ZINC000617966152	ref	1.92	-7.5	0	254.252	1.217	2	2	6	CCNC(=O)CNC(=O)[C@@H](CC)CC(F)(F)F
342089376	ZINC000600315284	ref	8.25	-47.33	1	284.4	1.424	2	3	5	CCOC(=O)C(C)(C)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
342089377	ZINC000600315284	mid	8.44	-47.28	1	284.4	1.424	2	3	5	CCOC(=O)C(C)(C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342089378	ZINC000621364418	ref	1.47	-8.64	0	265.357	1.958	1	5	4	C[C@@H]1CCN([C@H](C)c2nc(C3CC3)no2)C[C@H]1CO
342089379	ZINC000621364418	mid	3.65	-38.55	1	265.357	1.958	2	4	4	C[C@@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1CO
230762726	ZINC000425894574	ref	5.05	-51.14	1	311.336	2.215	2	5	6	FC(F)Cn1cc(NCc2cc(C3CC[NH2+]CC3)no2)cn1
365650340	ZINC000617487040	ref	-0.88	-10.42	0	275.308	0.992	2	4	4	NC(=O)c1coc(CNC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)n1
178324753	ZINC000237671347	ref	3.09	-14.67	0	350.484	1.822	1	3	3	Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CC[NH2+]CC3)CCCC2)c1
365650345	ZINC000617487157	ref	-1.96	-10.48	0	295.339	0.985	2	5	6	CO[C@H]1CCC[C@@H](CC(=O)NCc2nc(C(N)=O)co2)C1
178324755	ZINC000237671347	mid	3.09	-14.67	0	350.484	1.822	1	4	3	Cc1ccc(C)c(S(=O)(=O)C2(C(=O)N3CCNCC3)CCCC2)c1
178324757	ZINC000237668144	ref	7.95	-45.98	-1	354.406	1.785	2	4	8	Cc1cccc(C[C@H](CNC(=O)CNC(=O)c2ccccc2)C(=O)[O-])c1
178324760	ZINC000237680199	ref	8.21	-53.89	-1	354.406	1.986	2	4	8	Cc1ccc(CCC(=O)NCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1
178324763	ZINC000237678734	ref	6.21	-88.63	2	362.522	1.689	3	4	5	C[C@H]1C[C@@H](C)C[N@@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1
282123716	ZINC000171332630	ref	8.17	-14.21	0	330.457	2.518	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3c(s1)CC[C@H](C)C3)CC2
178324765	ZINC000237678734	mid	6.13	-88.21	2	362.522	1.689	3	4	5	C[C@H]1C[C@@H](C)C[N@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1
178324766	ZINC000237669385	ref	6.37	-89.66	2	362.522	1.895	3	4	7	Cc1c(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1
178324768	ZINC000237669385	mid	6.68	-89.05	2	362.522	1.895	3	4	7	Cc1c(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1
342602575	ZINC000617005674	high	1.65	-5.37	0	284.4	1.029	1	4	5	COC[C@]1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOC1
178324770	ZINC000237670648	ref	7.47	-108.22	2	360.502	1.082	2	4	8	C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C[NH2+]C[C@H]1CCCO1
178324772	ZINC000237670648	mid	3.9	-10.2	0	360.502	1.082	3	3	8	C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[NH2+]C[C@H]1CCCO1
178324774	ZINC000237670648	high	3.9	-10.2	0	360.502	1.082	2	5	8	C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CNC[C@H]1CCCO1
365650349	ZINC000617486968	ref	-5.09	-10.95	0	278.268	0.562	2	6	5	CCc1nc(C)c(C(=O)NCc2nc(C(N)=O)co2)o1
365650355	ZINC000617487230	ref	-2.79	-10.15	0	279.296	0.371	2	5	5	C=C[C@@H]1OCCC[C@H]1C(=O)NCc1nc(C(N)=O)co1
365650361	ZINC000617487154	ref	-1.81	-12.1	0	295.339	0.985	2	5	6	CO[C@@H]1CCC[C@@H](CC(=O)NCc2nc(C(N)=O)co2)C1
398249751	ZINC000285191965	ref	6.75	-8.11	0	223.247	2.695	0	3	6	COc1cc(C#N)ccc1OCCCCF
365650341	ZINC000625119599	ref	5.06	-12.28	0	317.357	2.074	0	3	2	Cc1ccc(S(=O)(=O)N2CCOCC3(CC3)C2)c(F)c1F
398249752	ZINC000381270601	mid	8.16	-16.56	0	245.311	1.422	1	6	4	c1ccc2sc(NCCn3cnnc3)nc2c1
185091476	ZINC000096081245	ref	4.92	-19.5	0	294.376	1.21	0	4	4	COCCN1C(=O)C[C@H]2[C@@H]1CCN2C(=O)c1ccsc1
365650346	ZINC000625120166	ref	6.63	-12.01	0	317.414	2.125	0	4	3	Cc1ccccc1C1=CCN(S(=O)(=O)c2cnc(C)n2C)C1
365650350	ZINC000625119287	ref	2.51	-7.19	0	312.435	2.02	0	6	5	Cc1csc([C@@H]2CN(CCOC3CCOCC3)CCO2)n1
342602576	ZINC000590878209	ref	8.08	-9.53	0	283.368	1.649	1	4	7	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@H](C)OCC1CC1
197609900	ZINC000163060070	ref	6.4	-45.9	-1	302.44	2.318	2	4	6	CS[C@H](C)CNC(=O)NCC1(C(=O)[O-])CCC(C)CC1
365650354	ZINC000625119287	low	4.84	-39.26	1	312.435	2.02	1	5	5	Cc1csc([C@@H]2C[N@H+](CCOC3CCOCC3)CCO2)n1
365650359	ZINC000625119287	low	4.39	-38.82	1	312.435	2.02	1	5	5	Cc1csc([C@@H]2C[N@@H+](CCOC3CCOCC3)CCO2)n1
365650363	ZINC000625121652	ref	3.94	-40.32	1	320.437	2.002	2	4	7	CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2cncc(OC)n2)C1
342602577	ZINC000590877142	ref	2.22	-9.77	0	296.323	1.535	1	6	6	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1coc(OCC)n1
342602578	ZINC000590876840	ref	5.54	-12.04	0	295.404	1.694	1	4	5	COc1cccc2c1CN(C(=O)[C@@H](O)CCSC)CC2
365650368	ZINC000625121652	mid	4.47	-35.79	1	320.437	2.002	2	4	7	CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](Cc2cncc(OC)n2)C1
214200860	ZINC000337657308	mid	5.31	-53.02	1	289.335	2.011	3	3	5	C[C@H](c1cc2ccccc2o1)[N@@H+](C)CCC(=O)NC(N)=O
342602579	ZINC000617005619	ref	2.83	-44.4	1	283.416	1.123	3	2	6	CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602580	ZINC000617005619	mid	2.37	-40.39	1	283.416	1.123	3	2	6	CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
214200861	ZINC000337657308	high	3.01	-19.52	0	289.335	2.011	2	4	5	C[C@H](c1cc2ccccc2o1)N(C)CCC(=O)NC(N)=O
214200862	ZINC000337657369	ref	2.41	-70.38	-1	278.33	-0.799	0	5	4	CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)S(C)(=O)=O
282123717	ZINC000449156715	ref	7.18	-40.83	1	292.382	2.449	2	1	3	Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
214200864	ZINC000337654856	ref	3.5	-13.64	0	299.321	2.084	2	3	6	O=C(NCCc1ccccn1)N[C@H]1CCC[C@@H]1OC(F)F
342602581	ZINC000617005619	high	0.55	-12.62	0	283.416	1.123	2	3	6	CC(C)C[C@@H](C(N)=O)C(=O)NC[C@H]1CCN1C(C)(C)C
342602582	ZINC000590877150	ref	2.99	-9.77	0	266.297	1.445	1	5	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1coc(C)n1
178324754	ZINC000001258844	ref	10.73	-45.72	-1	240.302	3.679	0	2	4	Cc1ccc(-c2ccc(CCC(=O)[O-])cc2)cc1
398249754	ZINC000649443288	ref	7.26	-44.06	1	215.296	2.656	1	1	3	CCC(=O)c1cccc(C2=CC[NH2+]CC2)c1
178324758	ZINC000065350007	ref	9.4	-57.99	-1	248.228	3.638	0	2	2	Cc1ccc(-c2ccc(F)c(C(=O)[O-])c2)c(F)c1
349536008	ZINC000621501003	ref	7.66	-9.63	0	272.339	3.006	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@H]1C1CCC1
178324759	ZINC000020096251	ref	6.95	-17.07	0	249.657	3.014	0	4	2	Cc1ccc(-c2ccc(Cl)nn2)cc1[N+](=O)[O-]
178324761	ZINC000065343107	ref	6.94	-4.41	0	232.71	4.329	1	1	1	Cc1ccc(-c2ccc(Cl)c(O)c2)c(C)c1
178324762	ZINC000065343107	mid	7.7	-44.24	-1	232.71	4.329	0	1	1	Cc1ccc(-c2ccc(Cl)c([O-])c2)c(C)c1
349536013	ZINC000621499514	ref	6.46	-12.32	0	295.342	3.074	1	4	3	C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc(N)nc1
349536019	ZINC000621501025	ref	6.77	-5.89	0	272.339	3.052	2	1	4	O=C(N[C@H](C(F)F)C1CCCCC1)N[C@H]1CC12CC2
365650342	ZINC000623090611	ref	5.32	-40.37	1	316.449	1.751	2	4	8	Cc1ccc(C[N@@H+](C)CCN(C)CCO)c(-c2cnn(C)c2)c1
178324764	ZINC000044804368	ref	4.29	-8.98	0	219.675	2.688	1	3	1	Cc1ccc(-c2ccc(Cl)nn2)cc1N
365650351	ZINC000623090611	mid	5.31	-36.29	1	316.449	1.751	2	4	8	Cc1ccc(C[N@H+](C)CCN(C)CCO)c(-c2cnn(C)c2)c1
342089380	ZINC000621364418	mid	3.54	-34.64	1	265.357	1.958	2	4	4	C[C@@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)C[C@H]1CO
342089381	ZINC000046855801	ref	7.41	-47.28	1	280.343	1.807	2	2	6	O=C(COc1ccc(F)cc1)NCC[NH+]1CCCCC1
365650353	ZINC000623090611	mid	7.08	-35.84	1	316.449	1.751	2	4	8	Cc1ccc(CN(C)CC[N@H+](C)CCO)c(-c2cnn(C)c2)c1
178324767	ZINC000065343157	ref	6.32	-6.19	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(Cl)c(O)c2)cc1F
398249758	ZINC000381291041	ref	0.69	-101.56	2	213.325	0.454	2	1	3	CCC[C@@H]([NH3+])C(=O)N1CCC(C)([NH3+])CC1
178324769	ZINC000065343157	mid	7.08	-45.6	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc(Cl)c([O-])c2)cc1F
178324773	ZINC000041258387	ref	7.71	-3.2	0	231.726	4.206	1	1	1	Cc1ccc(-c2ccc(Cl)c(N)c2)c(C)c1
197609909	ZINC000290140857	ref	2.63	-17.86	0	286.382	1.257	2	6	4	CSc1nsc(NC(=O)C[C@H]2CCCC(=O)N2)n1
342089382	ZINC000046855801	high	5.02	-11.8	0	280.343	1.807	1	3	6	O=C(COc1ccc(F)cc1)NCCN1CCCCC1
342089383	ZINC000609050242	ref	4.87	-15.47	0	268.386	1.662	2	3	4	CSCCNC(=O)N1CCC[C@@H](c2ncc[nH]2)C1
342089384	ZINC000609050242	low	5.36	-37.82	1	268.386	1.662	2	2	4	CSCCNC(=O)N1CCC[C@@H](c2[nH]cc[nH+]2)C1
365650358	ZINC000623090611	mid	7.06	-34.71	1	316.449	1.751	2	4	8	Cc1ccc(CN(C)CC[N@@H+](C)CCO)c(-c2cnn(C)c2)c1
214200863	ZINC000293780692	ref	3.13	-12.79	0	373.457	0.804	1	7	7	CCn1nc(C)c(C(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)n1
197609911	ZINC000290141697	ref	7.26	-6.5	0	286.297	3.363	0	2	1	C[C@H]1CCCCN(C(=O)c2cncc(C(F)(F)F)c2)C1
342089385	ZINC000200220873	ref	2.37	-10.7	0	259.309	1.343	2	4	4	OCCc1ccc2c(c1)N(Cc1c[nH]cn1)CCO2
342089386	ZINC000200220873	mid	2.1	-11.52	0	259.309	1.343	2	4	4	OCCc1ccc2c(c1)N(Cc1cnc[nH]1)CCO2
214200865	ZINC000293780692	low	5.48	-49.98	1	373.457	0.804	2	6	7	CCn1nc(C)c(C(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)n1
342089387	ZINC000200220873	low	2.61	-38.88	1	259.309	1.343	2	3	4	OCCc1ccc2c(c1)N(Cc1c[nH+]c[nH]1)CCO2
214200867	ZINC000293791587	ref	3.7	-17.79	0	356.806	0.875	1	5	7	COc1ccc(CCNC(=O)CN2CCOCC2=O)c(Cl)c1OC
197609926	ZINC000290141773	ref	5.77	-26.42	0	266.297	0.913	1	5	5	COC(=O)C[C@H](C)CC(=O)Nc1cccn(C)c1=O
282123719	ZINC000443583014	ref	6.75	-38.26	1	297.443	1.927	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC(C)(C)C2)CCO1
282123736	ZINC000443583014	high	4.19	-8.48	0	297.443	1.927	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC(C)(C)C2)CCO1
282123744	ZINC000117029273	ref	6.78	-39.22	1	337.386	2.079	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1
282123749	ZINC000117029273	high	4.32	-8.9	0	337.386	2.079	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)CCO1
342089388	ZINC000200220873	low	2.6	-39.08	1	259.309	1.343	2	3	4	OCCc1ccc2c(c1)N(Cc1c[nH]c[nH+]1)CCO2
197609939	ZINC000290141186	ref	5.87	-9.21	0	265.284	2.342	1	4	5	COC(=O)[C@H](CF)NCc1c(C)oc2ccccc12
342089389	ZINC000600316684	ref	6.42	-18.86	0	276.292	1.529	0	4	3	O=C(Cc1ccccc1[N+](=O)[O-])N1CC2(CCCO2)C1
342089390	ZINC000622702726	ref	3.89	-15.36	0	260.337	1.351	2	2	4	Cc1cccc([C@H](C)C(=O)NC[C@H]2CNC(=O)C2)c1
342089391	ZINC000600316641	ref	4.54	-16.54	0	292.404	1.933	2	3	6	CCSCc1ccc(C(=O)N[C@@H]2C[C@@H](C(N)=O)C2)cc1
342089392	ZINC000121733352	ref	4.85	-15.19	0	287.319	1.383	1	4	3	CC(=O)C[C@@H]1COCCN1C(=O)c1ccc2n[nH]cc2c1
342089393	ZINC000621364417	ref	1.21	-6.52	0	265.357	1.958	1	5	4	C[C@@H]1CCN([C@H](C)c2nc(C3CC3)no2)C[C@@H]1CO
342089394	ZINC000621364417	mid	3.67	-38.4	1	265.357	1.958	2	4	4	C[C@@H]1CC[N@@H+]([C@H](C)c2nc(C3CC3)no2)C[C@@H]1CO
214200866	ZINC000337655494	ref	6.82	-8.94	0	295.81	3.483	1	2	2	C[C@@H]1CCN(C(=O)Cc2ccc(O)cc2Cl)C[C@H](C)C1
214200868	ZINC000337655494	high	7.58	-50.69	-1	295.81	3.483	0	2	2	C[C@@H]1CCN(C(=O)Cc2ccc([O-])cc2Cl)C[C@H](C)C1
365650360	ZINC000354730159	ref	3.63	-41.34	1	279.384	1.313	2	4	7	CCn1nccc1C[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1
365650365	ZINC000354730159	high	2.75	-7.22	0	279.384	1.313	2	5	7	CCn1nccc1CN[C@H](C1CC1)[C@@]1(CO)CCCO1
178324775	ZINC000237677383	ref	4.13	-61.26	1	365.499	1.782	2	3	4	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+]
178324777	ZINC000237664666	ref	9.53	-47.41	-1	374.397	1.895	1	7	8	Cc1cccc(C[C@H](CNC(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)C(=O)[O-])c1
178324779	ZINC000237673512	ref	8.26	-96.15	2	371.529	1.629	2	4	6	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CC1C[C@@H]2CC[C@H](C1)[NH2+]2
178324780	ZINC000237673512	mid	8.26	-96.15	2	371.529	1.629	3	3	6	C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CC1C[C@@H]2CC[C@H](C1)[NH2+]2
178324781	ZINC000237672127	ref	6.51	-52.74	1	369.387	1.922	2	2	4	O=C(N[C@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
365650372	ZINC000354730374	ref	6.94	-35.66	1	280.412	1.624	2	2	5	O=C1CCCN1[C@@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1
178324782	ZINC000237679080	ref	4.33	-53.11	1	362.455	1.955	3	5	6	Cc1occc1C(=O)Nc1nc(CC(=O)NC[C@H]2CCC[NH2+]C2)cs1
365650377	ZINC000354730374	mid	6.57	-36.59	1	280.412	1.624	2	2	5	O=C1CCCN1[C@@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1
365650381	ZINC000354730374	high	4.4	-10.3	0	280.412	1.624	1	3	5	O=C1CCCN1[C@@H]1CCN(C[C@@H](O)CC2CCCC2)C1
365650386	ZINC000354730363	ref	0.2	-12.0	0	277.242	1.744	3	3	4	Cc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)ccc1O
349536009	ZINC000621246758	ref	6.26	-40.13	1	285.395	2.123	2	4	5	C[C@@H]1CCCC[N@@H+]1CCCNc1nccc2nccnc12
210256182	ZINC000019524059	ref	5.44	-15.39	0	399.426	2.524	1	7	4	CCn1ncc(-c2cc(C(=O)N3CCC(O)(c4cccnc4F)CC3)on2)c1C
365650390	ZINC000354730363	high	0.97	-44.33	-1	277.242	1.744	2	3	4	Cc1cc(C(=O)NCC[C@@H](O)C(F)(F)F)ccc1[O-]
365650395	ZINC000354729045	ref	1.96	-42.25	1	281.36	1.033	3	4	3	COc1nn(C)cc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1
365650398	ZINC000354729045	mid	1.29	-42.49	1	281.36	1.033	3	4	3	COc1nn(C)cc1NC(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1
168365600	ZINC000368508877	mid	6.83	-11.21	0	341.48	3.265	2	4	5	Cc1ccc(-c2csc(CN[C@H]3CCC(=O)N[C@H]3C3CC3)n2)cc1
365650362	ZINC000641615251	ref	1.16	-7.19	0	268.313	1.633	1	5	1	O[C@@H]1COCCN(c2nc3ccc(F)cc3s2)C1
365650373	ZINC000641615134	ref	3.24	-16.16	0	260.297	1.132	2	5	2	CC1(C)OCC[C@@H]1Nc1ccc2nc[nH]c(=O)c2n1
365650383	ZINC000641615189	ref	5.58	-20.45	0	271.324	1.486	2	5	4	CC(C)c1nnc(CNc2ccc3c(n2)C(=O)CC3)[nH]1
365650393	ZINC000641615189	mid	5.15	-17.12	0	271.324	1.486	2	5	4	CC(C)c1nc(CNc2ccc3c(n2)C(=O)CC3)n[nH]1
365650401	ZINC000641615181	ref	0.5	-50.08	-1	276.344	1.787	1	5	5	CCC(C)(C)c1n[n-]c(=NCc2nnc(C3CC3)[nH]2)o1
365650409	ZINC000641615181	mid	0.1	-50.77	-1	276.344	1.787	1	5	5	CCC(C)(C)c1n[n-]c(=NCc2n[nH]c(C3CC3)n2)o1
365650416	ZINC000641615324	ref	7.76	-6.65	0	257.337	1.877	1	4	6	CO[C@H](CNc1ncncc1C)Cc1ccccc1
365650426	ZINC000641615173	ref	2.18	-10.47	0	271.324	1.36	2	5	5	CC(C)(CNc1nccnc1C(N)=O)c1ccccn1
365650434	ZINC000641615315	ref	2.6	-12.09	0	295.389	1.505	1	5	4	O=S(=O)(NCc1ncc2c(n1)CCC2)c1cccs1
365650442	ZINC000641615315	high	2.24	-53.58	-1	295.389	1.505	0	5	4	O=S(=O)([N-]Cc1ncc2c(n1)CCC2)c1cccs1
365650448	ZINC000641615224	ref	4.72	-19.39	0	297.358	1.359	1	5	2	O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2cc(CO)ccn2)C1
365650456	ZINC000641615224	low	5.02	-45.3	1	297.358	1.359	1	4	2	O=c1cccc2n1C[C@H]1C[C@@H]2CN(c2cc(CO)cc[nH+]2)C1
365650463	ZINC000641615396	ref	4.11	-11.6	0	275.356	1.26	2	6	5	C[C@H](CC(C)(C)O)Nc1ccc(-c2ccnn2C)nn1
365650473	ZINC000641614947	ref	0.49	-8.56	0	252.318	1.048	2	5	7	CC[C@@H](C)[C@H](CNc1nccnc1C(N)=O)OC
282123720	ZINC000151700400	ref	6.09	-41.77	1	324.513	2.282	3	2	6	CN1CC[NH+](CCCCNC(=O)N[C@H]2CCCCC2(C)C)CC1
282123729	ZINC000151700400	mid	6.2	-39.42	1	324.513	2.282	3	2	6	C[NH+]1CCN(CCCCNC(=O)N[C@H]2CCCCC2(C)C)CC1
365650482	ZINC000641617562	ref	3.39	-11.01	0	291.413	1.146	1	4	9	COC[C@H](CS(=O)(=O)NC(C)(C1CC1)C1CC1)OC
365650501	ZINC000641615074	ref	4.87	-42.36	1	273.34	1.259	2	4	1	C[C@H]1CN(c2ccc3nc[nH]c(=O)c3n2)C[C@@H](C)[N@@H+]1C
178324776	ZINC000038069255	ref	7.88	-3.98	0	211.308	3.861	1	1	1	Cc1ccc(-c2ccc(C)c(N)c2)c(C)c1
365650521	ZINC000641615074	mid	4.46	-42.92	1	273.34	1.259	2	4	1	C[C@H]1CN(c2ccc3nc[nH]c(=O)c3n2)C[C@@H](C)[N@H+]1C
259310566	ZINC000391494997	ref	5.89	-54.69	1	236.315	1.552	1	2	5	CCc1ccc(C[NH2+][C@@H]2CC(=O)N(CC)C2)o1
365650530	ZINC000641615074	mid	2.64	-15.8	0	273.34	1.259	1	5	1	C[C@H]1CN(c2ccc3nc[nH]c(=O)c3n2)C[C@@H](C)N1C
214200869	ZINC000337654729	ref	10.0	-14.59	0	298.39	2.379	1	4	5	C[C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1Cn1cncn1
214200872	ZINC000337656457	ref	4.75	-9.6	0	292.404	2.105	2	3	3	O=C(NC[C@H]1SCCc2ccccc21)N[C@H]1CCOC1
365650364	ZINC000623090639	ref	5.89	-40.35	1	316.449	1.845	2	4	8	Cc1cccc(-n2cc(CN(C)CC[N@H+](C)CCO)c(C)n2)c1
398249755	ZINC000369281690	mid	5.38	-44.59	1	218.304	1.213	2	3	2	CC(C)=CC[N@H+]1CCc2nnc(N)cc2C1
349536011	ZINC000093300983	ref	2.62	-10.5	0	287.319	0.726	2	4	1	C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C#N)c2)C[C@@H]1O
214200873	ZINC000337655434	ref	-1.31	-18.25	0	265.26	0.321	3	3	6	NC(=O)CCNC(=O)N[C@H]1CCC[C@H]1OC(F)F
342602583	ZINC000590876017	ref	3.55	-17.45	0	286.441	1.23	0	3	1	CN1CCCC[C@@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1
299072526	ZINC000459277783	ref	4.44	-12.43	0	318.373	2.537	2	4	3	CO[C@@H]1C[C@H](NC(=O)Nc2ccc3c(c2)OCCO3)C12CCC2
214200875	ZINC000337654852	ref	3.94	-13.29	0	299.321	2.084	2	3	6	O=C(NCCc1ccccn1)N[C@@H]1CCC[C@@H]1OC(F)F
398249759	ZINC000369281690	mid	2.84	-7.65	0	218.304	1.213	1	4	2	CC(C)=CCN1CCc2nnc(N)cc2C1
214200877	ZINC000337656198	ref	9.1	-16.65	0	298.726	2.495	0	4	6	CN(CC1CC1)C(=O)COc1ccc([N+](=O)[O-])cc1Cl
214202802	ZINC000293816323	ref	5.4	-17.64	0	374.441	0.814	1	5	7	CN1CC(=O)N(CCCC(=O)NCc2cccc(N3CCOCC3)c2)C1=O
214202807	ZINC000293816064	ref	2.18	-14.72	0	363.461	0.86	2	7	6	COC(=O)C(C)(C)c1csc(NC(=O)C(C)(C)NS(C)(=O)=O)n1
178328084	ZINC000237753551	ref	6.38	-50.1	1	353.422	1.852	3	3	5	Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2C[NH2+]CCO2)cc1
178328087	ZINC000237753551	mid	5.03	-12.54	0	353.422	1.852	3	4	5	Cc1ccc(CNC(=O)c2ccccc2NC(=O)[C@@H]2CNCCO2)cc1
342602584	ZINC000590876017	low	5.46	-48.42	1	286.441	1.23	1	2	1	C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602585	ZINC000590876017	low	5.81	-51.69	1	286.441	1.23	1	2	1	C[N@H+]1CCCC[C@@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602586	ZINC000590877512	ref	5.27	-9.62	0	271.357	1.385	2	4	7	CCC[C@H](O)CC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCC
214202811	ZINC000293809326	ref	3.72	-15.19	0	350.419	0.394	1	6	6	COC1(CCNC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CCC1
259310568	ZINC000391494997	mid	4.67	-10.58	0	236.315	1.552	1	3	5	CCc1ccc(CN[C@@H]2CC(=O)N(CC)C2)o1
342602587	ZINC000590878336	ref	7.73	-10.13	0	278.352	1.795	1	4	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccn(C)c1C
178324783	ZINC000237676187	ref	5.81	-47.17	1	353.417	1.312	1	4	4	O=C([C@H]1CC12CC[NH2+]CC2)N1CCN(Cc2nccn2C(F)F)CC1
365650366	ZINC000617487066	ref	-1.08	-9.81	0	263.297	0.826	2	4	4	NC(=O)c1coc(CNC(=O)[C@@H]2CCC[C@@H]3C[C@@H]32)n1
178324784	ZINC000237664652	ref	7.08	-43.31	1	374.441	1.624	2	4	5	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
178324785	ZINC000237671235	ref	9.12	-92.31	2	356.514	1.703	2	3	5	C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2
365650370	ZINC000617487010	ref	-4.99	-10.51	0	278.268	0.562	2	6	5	CCc1nc(C(=O)NCc2nc(C(N)=O)co2)c(C)o1
230762772	ZINC000450598339	ref	5.71	-13.05	0	321.373	1.326	1	5	6	CCO[C@@H]1COCC[C@@H]1NC(=O)Cc1ccc(C(=O)OC)cc1
230762775	ZINC000450597561	ref	6.89	-47.21	1	320.824	1.964	3	4	6	OCCC[N@@H+]1CCC[C@H]1CNc1ncnc2cc(Cl)ccc12
230762778	ZINC000450597561	mid	6.14	-45.95	1	320.824	1.964	3	4	6	OCCC[N@H+]1CCC[C@H]1CNc1ncnc2cc(Cl)ccc12
365650376	ZINC000617486849	ref	-2.2	-13.32	0	291.311	0.546	2	6	6	Cc1ccn([C@H](C)CC(=O)NCc2nc(C(N)=O)co2)n1
230762783	ZINC000450596779	ref	5.78	-14.67	0	306.318	1.539	1	5	6	CN(C(=O)CCC(=O)c1cccc([N+](=O)[O-])c1)C1CC(O)C1
365650384	ZINC000617487059	ref	-2.0	-9.62	0	251.286	0.826	2	4	4	CC1(C)CC[C@@H]1C(=O)NCc1nc(C(N)=O)co1
365650389	ZINC000617487168	ref	-2.65	-12.13	0	281.312	0.595	2	5	5	CO[C@@H]1CCC[C@H](C(=O)NCc2nc(C(N)=O)co2)C1
365650396	ZINC000617487014	ref	-1.92	-9.8	0	269.326	0.533	2	5	4	NC(=O)c1coc(CNC(=O)[C@H]2CCCSC2)n1
365650406	ZINC000617486949	ref	-2.57	-10.03	0	281.312	0.595	2	5	6	C[C@H](CC(=O)NCc1nc(C(N)=O)co1)[C@@H]1CCCO1
178324786	ZINC000237671235	mid	9.12	-92.31	2	356.514	1.703	3	2	5	C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@H]1CC12CC[NH2+]CC2
349536012	ZINC000594970350	ref	7.79	-51.24	1	264.325	2.56	1	3	6	CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1
349536020	ZINC000594970350	high	6.49	-8.56	0	264.325	2.56	1	4	6	CCO[C@@H]1C[C@@H](NCc2ccc(C)c([N+](=O)[O-])c2)C1
178324787	ZINC000237669797	ref	5.67	-51.88	1	355.438	1.879	2	3	5	Cc1occc1C(=O)NC1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1
230762798	ZINC000450596268	ref	5.13	-9.51	0	313.76	1.756	0	4	2	O=C(c1cnc(N2CC[C@@H](F)C2)c(Cl)c1)N1CCOCC1
365650412	ZINC000617487215	ref	-3.25	-11.31	0	269.301	0.308	2	5	7	COC[C@@H](C)[C@H](C)C(=O)NCc1nc(C(N)=O)co1
365650420	ZINC000617486853	ref	-1.9	-11.55	0	267.285	0.205	2	5	6	CO[C@@H](C(=O)NCc1nc(C(N)=O)co1)C1CCC1
342602588	ZINC000617005621	ref	2.34	-41.62	1	283.416	1.123	3	2	6	CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214200870	ZINC000293786263	ref	5.78	-19.1	0	374.397	0.581	1	5	4	CC(=O)N1CCN(c2cccc(NC(=O)CN3CCOCC3=O)c2C)C1=O
342602589	ZINC000617005621	mid	2.86	-44.4	1	283.416	1.123	3	2	6	CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602590	ZINC000617005621	high	-0.02	-16.44	0	283.416	1.123	2	3	6	CC(C)C[C@@H](C(N)=O)C(=O)NC[C@@H]1CCN1C(C)(C)C
178324788	ZINC000237669797	high	5.37	-13.72	0	355.438	1.879	2	4	5	Cc1occc1C(=O)NC1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1
342602591	ZINC000617005388	ref	6.67	-40.34	1	278.4	1.896	2	3	5	CCCn1nccc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602592	ZINC000617005388	mid	5.85	-42.17	1	278.4	1.896	2	3	5	CCCn1nccc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
214200871	ZINC000293791314	ref	0.83	-24.8	0	366.486	0.304	1	6	4	C[C@H]1[C@@H](NC(=O)c2sccc2S(=O)(=O)N(C)C)CCS1(=O)=O
214200874	ZINC000293787787	ref	4.55	-20.14	0	350.423	0.233	2	6	6	CCOc1ccnc(N2CCCN(C(=O)CCNC(=O)NC)CC2)n1
214200876	ZINC000293790592	ref	4.12	-14.06	0	362.43	0.906	1	7	10	CCN(C[C@@H](O)COc1ccc(CCOC)cc1)C(=O)c1cnnn1C
178324789	ZINC000237673777	ref	4.19	-48.07	1	358.442	1.006	3	3	6	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@](C)(C[NH3+])C3CC3)C2=O)cc1
214200878	ZINC000293790438	ref	6.54	-65.03	1	366.487	0.895	2	5	8	C[C@@H](CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C[NH+](C)C
214200879	ZINC000293781961	ref	1.65	-68.69	-1	374.484	0.955	0	5	6	CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@H](CS(C)(=O)=O)C1
398249757	ZINC000390797256	ref	7.24	-37.14	1	219.328	3.312	1	1	6	C/C=C\C[NH2+][C@H](CC)c1ccc(OC)cc1
342602593	ZINC000617005388	high	3.78	-6.92	0	278.4	1.896	1	4	5	CCCn1nccc1C(=O)NC[C@H]1CCN1C(C)(C)C
342602594	ZINC000590877009	ref	6.58	-8.8	0	295.379	1.651	1	4	3	COC(=O)C1(NC(=O)[C@@H]2CC3CCC2CC3)CCOCC1
398249762	ZINC000390797256	high	6.2	-2.74	0	219.328	3.312	1	2	6	C/C=C\CN[C@H](CC)c1ccc(OC)cc1
398249765	ZINC000157390000	ref	5.4	-7.01	0	229.364	2.746	1	2	8	CCCCOCCNC(=O)CCC(C)(C)C
214200884	ZINC000293782648	ref	4.66	-27.99	0	353.444	0.693	1	4	4	CC(=O)N1CCCC[C@@H]1C(=O)N(C)Cc1ccccc1S(N)(=O)=O
342602595	ZINC000590876879	ref	7.85	-18.13	0	289.331	1.389	0	4	3	COC(=O)[C@@H]1C[C@@H]1C(=O)N1CCc2cccc(OC)c2C1
412491677	ZINC000354597197	low	3.88	-57.21	1	323.426	-0.437	4	6	4	CC(C)(CNc1nc(N)c2c[nH]nc2n1)[NH+]1CCS(=O)CC1
214200883	ZINC000278510483	ref	6.71	-15.88	0	300.358	3.113	1	4	5	COc1cc(C)c(NC(=O)[C@@H](C)Oc2cccnc2)cc1C
178324790	ZINC000237675436	ref	4.15	-41.5	1	361.471	1.296	2	6	5	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H](C[NH3+])C1CC1
185091479	ZINC000096081153	ref	1.51	-15.88	0	284.312	0.477	1	3	2	O=C1C[C@@H]2[C@@H](CCN2S(=O)(=O)c2ccccc2F)N1
342602596	ZINC000590876016	ref	3.44	-17.48	0	286.441	1.23	0	3	1	CN1CCCC[C@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1
168365601	ZINC000368501489	ref	7.16	-14.48	0	337.366	3.33	0	3	4	O=C(/C=C/c1ccc(OC(F)F)cc1)N1CC[C@]2(CCCOC2)C1
136230239	ZINC000233223402	ref	6.05	-52.77	-1	229.276	0.735	0	4	5	CCCOCC(=O)N1CC[C@@H](C(=O)[O-])[C@@H]1C
282123721	ZINC000171334229	ref	7.17	-18.29	0	322.372	1.517	1	6	3	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cccn3)cc1)CC2
282123728	ZINC000192030318	ref	4.96	-17.16	0	301.375	1.874	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3sccc3[nH]1)CC2
365650369	ZINC000623090639	mid	5.89	-40.18	1	316.449	1.845	2	4	8	Cc1cccc(-n2cc(CN(C)CC[N@@H+](C)CCO)c(C)n2)c1
178324791	ZINC000237662757	ref	6.37	-46.73	1	368.481	1.881	2	4	6	C[C@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)cn2)C[C@@H](C)O1
342602597	ZINC000590876016	low	5.71	-51.01	1	286.441	1.23	1	2	1	C[N@@H+]1CCCC[C@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1
185091493	ZINC000096081119	ref	4.95	-15.38	0	258.321	1.352	1	2	2	CCc1ccc(C(=O)N2CC[C@H]3NC(=O)C[C@H]32)cc1
178324792	ZINC000237662757	low	6.69	-96.44	2	368.481	1.881	2	3	6	C[C@H]1CN(c2ccc(CNC(=O)[C@H]([NH3+])Cc3ccccc3)c[nH+]2)C[C@@H](C)O1
214200885	ZINC000278509815	ref	1.09	-43.51	1	311.378	1.344	2	5	8	COc1ccc(C[NH2+][C@@]2(CCO)CCOC2)c(OC)c1OC
214200887	ZINC000278509815	mid	0.38	-8.94	0	311.378	1.344	2	6	8	COc1ccc(CN[C@@]2(CCO)CCOC2)c(OC)c1OC
214200889	ZINC000278510789	ref	5.05	-14.24	0	323.78	2.266	2	5	5	Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NOCC(C)(C)O
214200891	ZINC000278510789	high	4.66	-52.79	-1	323.78	2.266	1	5	5	Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]OCC(C)(C)O
214202805	ZINC000278512193	high	0.81	-92.82	-2	307.35	1.027	1	5	6	Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)[N-]OCC(C)(C)O
342602598	ZINC000590876016	low	5.44	-49.05	1	286.441	1.23	1	2	1	C[N@H+]1CCCC[C@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1
342602599	ZINC000590876033	ref	6.69	-17.57	0	282.409	1.638	0	3	3	CC1(C)CCN(C(=O)CCn2cccc2)CC[S@@]1=O
342602600	ZINC000590877160	ref	5.61	-11.16	0	294.355	1.15	1	6	6	CCCn1cc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)OCC)nn1
365650371	ZINC000625121652	mid	1.57	-10.11	0	320.437	2.002	1	5	7	CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2cncc(OC)n2)C1
365650378	ZINC000625118884	ref	6.52	-10.19	0	312.417	2.394	1	4	6	CCn1nc(C)cc1C(=O)NCCCN1CCc2ccccc21
342602601	ZINC000590876107	ref	2.91	-18.47	0	299.367	1.905	1	3	1	CC1(C)CCN(C(=O)c2ccc(O)c(F)c2)CC[S@@]1=O
365650382	ZINC000625120923	ref	5.56	-12.89	0	319.43	2.249	1	4	3	Cc1ccc2c(c1)[C@H](NS(=O)(=O)c1cnc(C)n1C)[C@@H](C)C2
214200886	ZINC000293783123	ref	6.46	-11.04	0	360.345	0.869	1	6	2	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCc2cccc(F)c2C1
398249760	ZINC000651467821	high	5.62	-7.47	0	285.338	3.029	1	4	4	C[C@@H]1C[C@H](NC2CCC(OC(F)F)CC2)c2nccn21
214200888	ZINC000293783058	ref	1.65	-17.1	0	359.473	0.359	1	5	5	C[C@@H](NC(=O)c1cccs1)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
214200890	ZINC000293783670	ref	-0.32	-14.04	0	364.427	0.74	2	6	7	NC(=O)C[C@H](NS(=O)(=O)c1cnn([C@H]2CCOC2)c1)c1ccccc1
365650388	ZINC000625121110	ref	6.5	-13.16	0	302.296	2.28	0	3	4	CN(C[C@@H]1CCCO1)C(=O)Cc1cc(C(F)(F)F)ccn1
365650394	ZINC000625120745	ref	6.45	-9.29	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1C[C@@H](C)CC(C)(C)C1)C1CC1
365650402	ZINC000625120747	ref	6.72	-8.22	0	303.468	2.499	0	3	6	CCO[C@@H](CS(=O)(=O)N1C[C@H](C)CC(C)(C)C1)C1CC1
365650405	ZINC000625121015	ref	3.64	-11.1	0	316.398	2.016	1	4	8	CCO[C@H](CS(=O)(=O)N[C@@H](C)c1cncc(F)c1)C1CC1
365650413	ZINC000625121127	ref	2.54	-10.27	0	303.346	2.204	1	3	5	CC[C@H](CC(F)(F)F)NS(=O)(=O)[C@H]1COC(C)(C)C1
365650418	ZINC000625119484	ref	6.57	-11.35	0	320.418	2.078	0	5	7	CCN(CCC1CC1)S(=O)(=O)c1cnnn1-c1ccccc1
365650427	ZINC000625121118	ref	5.32	-10.92	0	319.467	2.024	0	4	9	CCOC1(CS(=O)(=O)N(CC)CCC2CC2)CCOCC1
365650435	ZINC000625119455	ref	6.57	-11.62	0	304.39	2.283	0	3	1	COc1cccc2c1CCN(C(=O)N1C[C@H](C)O[C@H](C)C1)C2
365650440	ZINC000625119896	ref	5.74	-9.59	0	301.452	2.444	1	3	7	CCO[C@H](CS(=O)(=O)N[C@@H]1CC12CCCCC2)C1CC1
342602602	ZINC000590876107	mid	3.68	-55.01	-1	299.367	1.905	0	3	1	CC1(C)CCN(C(=O)c2ccc([O-])c(F)c2)CC[S@@]1=O
365650444	ZINC000625119199	ref	3.92	-19.16	0	313.329	2.103	1	5	7	O=C(COCC(F)F)NCc1nc(-c2ccncc2)cs1
343995662	ZINC000599276944	ref	7.27	-38.82	1	255.358	1.421	2	3	8	CCOC(=O)C[C@H](O)C[N@H+](C)C(C1CC1)C1CC1
365650450	ZINC000625121581	ref	3.69	-11.2	0	319.373	2.367	1	3	4	Cc1ccc(S(=O)(=O)NC[C@@H]2CCO[C@H](C)C2)c(F)c1F
178324793	ZINC000237662757	high	6.06	-9.21	0	368.481	1.881	2	5	6	C[C@H]1CN(c2ccc(CNC(=O)[C@H](N)Cc3ccccc3)cn2)C[C@@H](C)O1
178324794	ZINC000237673492	ref	5.52	-51.36	1	372.469	1.268	3	3	6	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC[C@H]3CCC[NH2+]C3)C2=O)cc1
178324795	ZINC000237674349	ref	3.9	-11.51	0	357.907	1.814	1	4	6	O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(Cc2ccc(Cl)s2)CC1
178324796	ZINC000237674349	high	3.9	-11.51	0	357.907	1.814	1	5	6	O=C(CNC[C@H]1CCCO1)N1CCN(Cc2ccc(Cl)s2)CC1
342602603	ZINC000617005776	ref	6.07	-39.94	1	278.4	1.577	3	2	5	C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
178324797	ZINC000237676042	ref	5.82	-47.02	1	353.417	1.312	1	4	4	O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(Cc2nccn2C(F)F)CC1
214200892	ZINC000293782221	ref	5.35	-16.19	0	354.414	0.969	0	7	5	CN(C)[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cncn1C
365650375	ZINC000623090639	high	3.56	-9.11	0	316.449	1.845	1	5	8	Cc1cccc(-n2cc(CN(C)CCN(C)CCO)c(C)n2)c1
282123722	ZINC000248982526	mid	3.92	-41.85	1	321.373	1.783	3	5	7	COC(=O)c1cc2cc(C[N@@H+](C[C@H](C)O)[C@H](C)CO)ccc2o1
178324798	ZINC000237675603	ref	3.99	-13.87	0	359.446	1.017	1	5	5	O=C(C[C@@H]1CSCC[NH2+]1)N1CCN(Cc2nccn2C(F)F)CC1
214200894	ZINC000293782221	low	5.86	-42.15	1	354.414	0.969	0	6	5	CN(C)[C@@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1c[nH+]cn1C
214200895	ZINC000293783980	ref	8.24	-16.65	0	359.357	0.807	0	5	3	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1
214200897	ZINC000293788590	ref	3.7	-23.36	0	372.425	0.754	3	5	5	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc2ccn(C)c(=O)c2c1)C(C)C
178324799	ZINC000237675603	high	3.99	-13.87	0	359.446	1.017	1	6	5	O=C(C[C@@H]1CSCCN1)N1CCN(Cc2nccn2C(F)F)CC1
214200900	ZINC000293781958	ref	1.63	-68.83	-1	374.484	0.955	0	5	6	CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CC[C@@H](CS(C)(=O)=O)C1
349536014	ZINC000621246758	mid	6.57	-39.51	1	285.395	2.123	2	4	5	C[C@@H]1CCCC[N@H+]1CCCNc1nccc2nccnc12
192340732	ZINC000421455293	ref	5.9	-8.7	0	231.295	2.111	1	2	4	COc1ccccc1CNC(=O)[C@@H]1CC12CC2
178324800	ZINC000237680494	ref	4.39	-52.68	1	365.499	1.734	1	3	3	CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])ccc21
178324801	ZINC000237668108	ref	8.13	-41.88	1	373.497	1.789	2	3	6	Cc1ccc(C)c(OCC(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1
342089395	ZINC000621364417	mid	3.44	-34.98	1	265.357	1.958	2	4	4	C[C@@H]1CC[N@H+]([C@H](C)c2nc(C3CC3)no2)C[C@@H]1CO
214200896	ZINC000278511025	ref	5.31	-16.02	0	319.327	2.417	1	3	4	COC[C@H](C)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
197609940	ZINC000163060217	ref	4.66	-17.33	0	310.369	1.999	2	3	6	CC[C@H](Oc1ccccc1F)C(=O)N[C@@H](C(N)=O)C(C)(C)C
346818977	ZINC000067772112	ref	9.05	-14.8	0	297.358	2.867	1	4	4	O=C(Nc1cc(C2CC2)nn1-c1ccccc1)[C@@H]1CCCO1
214200898	ZINC000278511025	mid	5.23	-11.21	0	319.327	2.417	1	3	4	COC[C@H](C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
197609945	ZINC000163062750	ref	8.04	-14.32	0	320.393	1.972	0	6	8	COCCN(CC(C)C)C(=O)c1cc(Cn2cc(C)cn2)on1
178324802	ZINC000237677688	ref	7.5	-46.93	1	361.511	1.811	2	3	4	Cc1ccccc1C(=O)NC1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1
214200899	ZINC000278510250	ref	4.57	-10.5	0	302.403	2.246	2	5	6	CC[C@H](Sc1nccnc1N)C(=O)NCc1ccccc1
346818984	ZINC000067769216	ref	6.81	-8.21	0	278.377	2.89	0	4	6	CCc1nc(CN(C)C(=O)CCc2ccco2)cs1
398249761	ZINC000381291041	high	0.39	-49.61	1	213.325	0.454	2	2	3	CCC[C@@H](N)C(=O)N1CCC(C)([NH3+])CC1
282123723	ZINC000449156715	mid	6.78	-5.84	0	292.382	2.449	2	2	3	Cc1ccccc1[C@H](N)C(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21
178324803	ZINC000237677688	high	6.46	-15.94	0	361.511	1.811	2	4	4	Cc1ccccc1C(=O)NC1CCN(C(=O)C[C@H]2CSCCN2)CC1
178324804	ZINC000237681419	ref	9.16	-52.28	-1	368.433	1.856	2	4	9	Cc1ccc(CCC(=O)NCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])cc1
178324805	ZINC000237674239	ref	3.8	-12.09	0	357.907	1.814	1	4	6	O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)s2)CC1
214200908	ZINC000278511270	ref	6.86	-42.77	1	320.3	3.194	1	3	7	CCC(CC)(C[NH2+]Cc1c(Br)cnn1C)SC
342089396	ZINC000034578928	ref	5.36	-34.87	-1	258.617	1.905	1	5	3	CC(=O)Nc1cc([N+](=O)[O-])c(Cl)cc1C(=O)[O-]
342089397	ZINC000588342606	ref	4.31	-18.38	0	264.329	1.901	1	5	9	Cc1noc(CCCNC(=O)CCCCCC#N)n1
342089398	ZINC000600315193	ref	6.21	-11.43	0	276.292	1.908	0	4	2	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC2(CCCO2)C1
342089399	ZINC000034573518	ref	5.77	-10.56	0	288.282	1.212	2	3	4	O=C1N[C@H](Cc2c[nH]cn2)C(=O)N1Cc1ccc(F)cc1
342089400	ZINC000034573518	mid	5.29	-11.71	0	288.282	1.212	2	3	4	O=C1N[C@H](Cc2cnc[nH]2)C(=O)N1Cc1ccc(F)cc1
342089401	ZINC000034573518	low	5.8	-46.05	1	288.282	1.212	2	2	4	O=C1N[C@H](Cc2c[nH+]c[nH]2)C(=O)N1Cc1ccc(F)cc1
214200901	ZINC000293786368	ref	4.04	-12.12	0	363.414	0.997	3	5	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(C(=O)OC)c(C)c1)C(C)C
214200902	ZINC000293782709	ref	3.35	-24.78	0	356.444	0.877	1	5	7	C[C@H](OC[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O
365650380	ZINC000623090497	ref	3.15	-38.32	1	306.328	1.783	2	3	9	CN(CC[N@H+](C)CCO)Cc1cc(F)ccc1OC(F)F
178324806	ZINC000237674239	high	3.8	-12.09	0	357.907	1.814	1	5	6	O=C(CNC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)s2)CC1
178324807	ZINC000237665448	ref	6.67	-98.13	2	374.529	1.62	4	2	9	C[C@H](CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1
178324808	ZINC000237665448	high	4.2	-54.65	1	374.529	1.62	3	3	9	C[C@H](CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CCC[NH2+]C1
365650387	ZINC000623090497	mid	3.13	-38.33	1	306.328	1.783	2	3	9	CN(CC[N@@H+](C)CCO)Cc1cc(F)ccc1OC(F)F
178324809	ZINC000237673627	ref	5.61	-46.63	1	359.518	1.475	3	3	6	C[C@H](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CC[NH2+]CC1
178324810	ZINC000237673627	mid	5.61	-46.63	1	359.518	1.475	2	4	6	C[C@H](CC(=O)NCc1ccc(N2CCN(C)CC2)nc1)C1CC[NH2+]CC1
178324811	ZINC000237679629	ref	7.96	-94.3	2	359.518	1.475	3	3	6	C[C@H](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1
178324812	ZINC000237679629	mid	5.58	-49.55	1	359.518	1.475	2	4	6	C[C@H](CC(=O)NCc1ccnc(N2CCN(C)CC2)c1)[C@@H]1CCC[NH2+]C1
178324813	ZINC000237665482	ref	6.68	-91.89	2	374.529	1.62	4	2	9	C[C@H](CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1
178324814	ZINC000237665482	high	4.2	-49.46	1	374.529	1.62	3	3	9	C[C@H](CC(=O)NCc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCC[NH2+]C1
178324815	ZINC000237674743	ref	4.12	-11.66	0	361.471	1.265	1	6	2	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCC[NH2+]CC1
178324816	ZINC000237674743	high	4.12	-11.66	0	361.471	1.265	1	7	2	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N1CCCNCC1
178324817	ZINC000237680365	ref	4.53	-51.14	1	365.499	1.734	1	3	3	CC(=O)N1CCCc2ccc(S(=O)(=O)N3CCC[C@H](C)[C@@H]3C[NH3+])cc21
365650392	ZINC000623090497	high	0.95	-6.9	0	306.328	1.783	1	4	9	CN(CCO)CCN(C)Cc1cc(F)ccc1OC(F)F
178324818	ZINC000237680184	ref	8.1	-55.86	1	364.243	1.624	1	4	3	Cn1cc(C[NH2+][C@H]2CCc3c(Br)cccc32)c(=O)n(C)c1=O
178324819	ZINC000237680184	high	6.71	-15.43	0	364.243	1.624	1	5	3	Cn1cc(CN[C@H]2CCc3c(Br)cccc32)c(=O)n(C)c1=O
342602604	ZINC000617005776	mid	6.67	-39.62	1	278.4	1.577	3	2	5	C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602605	ZINC000617005776	mid	5.41	-41.96	1	278.4	1.577	3	2	5	C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602606	ZINC000617005776	mid	5.98	-41.54	1	278.4	1.577	3	2	5	C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
365650391	ZINC000336563438	ref	2.29	-45.13	-1	273.264	2.079	0	4	4	O=S(=O)([N-]c1cnn(C(F)F)c1)c1ccccc1
214200903	ZINC000293782302	ref	1.36	-13.76	0	360.414	0.632	4	4	6	CCNC(=O)[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(C)C
342602607	ZINC000617005776	low	5.92	-82.1	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602608	ZINC000617005776	low	6.5	-81.56	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602609	ZINC000617005776	low	5.9	-82.3	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214200904	ZINC000293782302	high	-0.48	-45.34	-1	360.414	0.632	3	4	6	CCNC(=O)[C@@H](NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1)C(C)C
342602610	ZINC000617005776	low	6.49	-81.71	2	278.4	1.577	3	1	5	C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602611	ZINC000617005776	high	4.21	-10.38	0	278.4	1.577	2	3	5	C[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN1C(C)(C)C
342602612	ZINC000617005776	high	3.52	-9.95	0	278.4	1.577	2	3	5	C[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN1C(C)(C)C
214200905	ZINC000293782712	ref	3.34	-26.47	0	356.444	0.877	1	5	7	C[C@@H](OC[C@@H]1CCCO1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O
282123724	ZINC000248982526	high	1.79	-9.78	0	321.373	1.783	2	6	7	COC(=O)c1cc2cc(CN(C[C@H](C)O)[C@H](C)CO)ccc2o1
342602613	ZINC000590876719	ref	7.14	-10.41	0	291.347	1.779	0	4	4	COC(=O)C[C@H](C)C(=O)N1CCc2cccc(OC)c2C1
342602614	ZINC000590878337	ref	6.39	-9.06	0	263.284	1.88	1	3	6	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCC(F)F
342602615	ZINC000590876881	ref	7.39	-12.22	0	289.331	1.389	0	4	3	COC(=O)[C@@H]1C[C@H]1C(=O)N1CCc2cccc(OC)c2C1
342602616	ZINC000617005452	ref	6.31	-39.13	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1cccn1
214200906	ZINC000293785360	ref	3.16	-21.35	0	364.418	0.93	0	5	5	Cc1nn(C(F)F)c(C)c1CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1
197609964	ZINC000290141830	ref	3.31	-8.03	0	279.336	2.014	2	4	4	C[C@@H](NC(=O)OC1CCOCC1)[C@H](O)c1ccccc1
342602617	ZINC000617005452	mid	5.18	-40.05	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1cccn1
398254283	ZINC000381603459	ref	5.35	-100.81	2	212.337	0.954	2	1	5	CCOC[C@H]1CC[N@H+](C[C@@H]2CC[NH2+]C2)C1
365650397	ZINC000336563438	low	2.28	-12.12	0	273.264	2.079	1	4	4	O=S(=O)(Nc1cnn(C(F)F)c1)c1ccccc1
178324820	ZINC000237674729	ref	7.97	-123.66	2	367.497	1.451	2	4	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](C[NH3+])c1ccccc1
178324821	ZINC000237674729	mid	5.22	-7.95	0	367.497	1.451	3	3	7	C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@H](C[NH3+])c1ccccc1
365650404	ZINC000336563528	ref	5.52	-12.23	0	276.327	2.1	1	2	2	C[C@@H]1COCCN(C(=O)NC[C@H]2CCC(F)(F)C2)C1
178324822	ZINC000237674729	high	5.22	-7.95	0	367.497	1.451	2	5	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@H](CN)c1ccccc1
178324823	ZINC000237677138	ref	4.2	-61.62	1	373.478	1.965	2	3	5	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@@H]([NH3+])c1ccccc1
365650407	ZINC000336563186	ref	7.63	-14.52	0	287.359	2.475	0	3	1	Cc1ccc2c(c1)CN(C(=O)C1CCC(=O)CC1)CCO2
365650415	ZINC000336563396	ref	2.64	-4.78	0	274.286	2.447	1	3	2	C[C@@]1(O)CCCN(Cc2cncc(C(F)(F)F)c2)C1
178324824	ZINC000237677138	high	3.76	-18.35	0	373.478	1.965	2	4	5	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@@H](N)c1ccccc1
178324825	ZINC000237665905	ref	4.45	-57.1	1	357.432	1.422	1	5	7	Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCC(OCCC[NH3+])CC1
178324826	ZINC000237676125	ref	6.14	-45.02	1	367.444	1.843	1	4	4	O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCN(Cc2nccn2C(F)F)CC1
178324827	ZINC000237666775	ref	8.74	-55.55	-1	367.405	1.698	2	5	7	Cc1cccc(C[C@@H](CNC(=O)Cn2c(=O)[nH]c3ccccc32)C(=O)[O-])c1
365650419	ZINC000336563396	mid	4.64	-41.47	1	274.286	2.447	2	2	2	C[C@@]1(O)CCC[N@H+](Cc2cncc(C(F)(F)F)c2)C1
365650424	ZINC000336563396	mid	4.93	-39.96	1	274.286	2.447	2	2	2	C[C@@]1(O)CCC[N@@H+](Cc2cncc(C(F)(F)F)c2)C1
365650431	ZINC000336563483	ref	5.03	-7.42	0	274.43	2.228	0	2	3	CC[C@@]1(C)CCN(S(=O)(=O)N2CCCC[C@H]2C)C1
342089402	ZINC000034573518	low	5.78	-46.17	1	288.282	1.212	2	2	4	O=C1N[C@H](Cc2c[nH]c[nH+]2)C(=O)N1Cc1ccc(F)cc1
365650437	ZINC000336563772	ref	7.12	-58.84	1	293.432	2.085	1	2	3	C[C@@]1(c2ccccc2)CC[N@H+](C[C@@H]2CCS(=O)(=O)C2)C1
342089403	ZINC000622702728	ref	3.89	-15.38	0	260.337	1.351	2	2	4	Cc1cccc([C@@H](C)C(=O)NC[C@H]2CNC(=O)C2)c1
342089404	ZINC000588343363	ref	4.75	-13.52	0	280.287	1.252	0	5	3	N#Cc1ccnc(C(=O)N2CC(Oc3ccncc3)C2)c1
342089405	ZINC000588343363	low	5.21	-45.12	1	280.287	1.252	0	4	3	N#Cc1ccnc(C(=O)N2CC(Oc3cc[nH+]cc3)C2)c1
178324828	ZINC000237664676	ref	7.08	-43.28	1	374.441	1.624	2	4	5	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1
214200907	ZINC000293786689	ref	2.61	-19.51	0	359.473	0.613	1	5	5	COC[C@H]1CCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1
342602618	ZINC000617005452	high	3.29	-9.35	0	278.4	1.823	1	4	5	C[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)n1cccn1
303960129	ZINC000563545254	ref	6.05	-11.66	0	308.345	1.106	0	6	3	O=C([C@@H](c1ccccc1)n1cccn1)N1CCn2nncc2C1
214200909	ZINC000293785314	ref	3.11	-20.21	0	368.381	0.703	0	5	4	Cc1cc(C(F)(F)F)nn1CC(=O)N(C)[C@@H]1CCN(S(C)(=O)=O)C1
214200912	ZINC000293791441	ref	2.52	-14.63	0	361.402	0.543	0	8	8	COCCOc1cncc(C(=O)N2CCc3c(nnn3CCOC)C2)c1
214200913	ZINC000293783405	ref	4.93	-20.4	0	365.415	0.525	2	7	6	Cn1cnc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n1
306234752	ZINC000557927456	ref	4.48	-23.66	0	331.372	1.805	2	4	5	CCOC1CC(C(=O)Nc2ccc(C)c(N3C(=O)CNC3=O)c2)C1
306234753	ZINC000557934677	ref	2.76	-20.1	0	347.481	1.059	2	4	6	CS(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCC[C@H]1CCCCO1
398249763	ZINC000651465712	ref	6.04	-42.23	1	284.407	3.34	2	2	3	Cc1n[nH]cc1[C@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21
342602619	ZINC000617005775	ref	6.15	-39.1	1	278.4	1.577	3	2	5	C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602620	ZINC000617005775	mid	5.56	-38.99	1	278.4	1.577	3	2	5	C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602621	ZINC000617005775	mid	6.21	-41.07	1	278.4	1.577	3	2	5	C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
214200915	ZINC000293782856	ref	3.58	-18.79	0	361.489	0.409	0	6	5	Cc1sc(=O)n(CCC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1C
178328088	ZINC000237746250	ref	3.16	-69.54	1	370.862	1.535	2	5	6	Cc1cc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)nn1-c1ccccc1Cl
214200917	ZINC000293791096	ref	0.55	-15.58	0	356.444	0.454	2	5	8	CC(C)OCCS(=O)(=O)NCC(=O)N1C[C@@H](CO)c2ccccc21
214200919	ZINC000293791096	high	0.17	-48.28	-1	356.444	0.454	1	5	8	CC(C)OCCS(=O)(=O)[N-]CC(=O)N1C[C@@H](CO)c2ccccc21
342602622	ZINC000617005775	mid	5.63	-40.97	1	278.4	1.577	3	2	5	C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
214200921	ZINC000293790354	ref	2.11	-8.38	0	353.415	0.489	1	7	9	COCCc1ccc(OC[C@@H](O)CN2CCOC[C@H]2C(=O)OC)cc1
398249766	ZINC000651465712	low	5.96	-37.85	1	284.407	3.34	2	2	3	Cc1[nH]ncc1[C@H](C)[NH2+][C@@H]1CCCN(C)c2ccccc21
168367865	ZINC000043334304	ref	1.62	-38.78	1	194.278	1.764	1	2	3	C[C@@H]([NH3+])[C@H](c1ccco1)N1CCCC1
136230240	ZINC000295630935	ref	4.65	-12.8	0	219.284	1.802	2	2	6	C=CCC[C@@H](NC(=O)CO)c1ccccc1
178324829	ZINC000237675253	ref	4.11	-49.38	1	361.471	1.296	2	6	5	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)NC[C@H]([NH3+])C1CC1
178324830	ZINC000237674190	ref	4.55	-11.73	0	351.878	1.753	1	3	6	O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1
214200910	ZINC000278511270	high	5.63	-5.08	0	320.3	3.194	1	4	7	CCC(CC)(CNCc1c(Br)cnn1C)SC
178324831	ZINC000237674190	high	4.55	-11.73	0	351.878	1.753	1	4	6	O=C(CNC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)CC1
178324832	ZINC000237675468	ref	4.33	-48.39	1	361.471	1.311	2	6	3	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@H]1CCC[NH2+]C1
178324833	ZINC000237661852	ref	4.36	-13.24	0	359.47	1.907	3	4	5	Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3COCCN3)CCCC2)cc1C
178324834	ZINC000237661852	mid	5.72	-47.95	1	359.47	1.907	3	3	5	Cc1ccc(NC(=O)C2(CNC(=O)[C@@H]3COCC[NH2+]3)CCCC2)cc1C
343995663	ZINC000079969679	high	5.47	-9.59	0	266.307	2.127	0	2	2	CC(C)N1CCCN(C(=O)[C@@H](C)C(F)(F)F)CC1
398249764	ZINC000381272039	ref	0.75	-93.32	2	215.297	-0.924	3	2	5	C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)COCC[NH3+]
349536017	ZINC000621244265	ref	3.52	-8.63	0	254.305	2.432	2	2	3	COc1ccc(F)c(CNC(=O)NC(C)(C)C)c1
178324835	ZINC000237676675	ref	5.25	-53.92	1	363.483	1.548	2	3	3	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC1C[C@@H]2CC[C@H](C1)[NH2+]2
214200914	ZINC000278510032	ref	8.75	-14.77	0	312.373	1.889	1	5	4	C[C@@H]1CC(=O)CC[C@H]1C(=O)NCc1ncnn1-c1ccccc1
398249768	ZINC000381272045	ref	0.21	-92.25	2	215.297	-0.924	3	2	5	C[C@@H]1CC[NH2+]C[C@H]1NC(=O)COCC[NH3+]
349536022	ZINC000621246219	ref	4.83	-36.61	1	275.352	2.245	1	4	7	C[NH2+][C@@H](C)Cc1noc(COCc2ccc(C)cc2)n1
349536027	ZINC000621246053	ref	4.17	-97.68	2	286.379	2.127	2	3	5	[NH3+]Cc1ccc(-c2noc(CC[C@@H]3CCC[NH2+]C3)n2)cc1
214200916	ZINC000278510669	ref	8.0	-17.95	0	321.384	2.502	1	4	4	O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@H]1c1cc[nH]n1
349536032	ZINC000621247277	ref	2.9	-3.09	0	271.158	2.447	0	3	4	COc1cc(CN(C)C2CC2)c(Br)cn1
214200918	ZINC000278510396	ref	7.93	-17.85	0	322.409	1.588	1	4	4	Cc1nc[nH]c1CC(=O)N1CCCN(C(=O)OCC(C)C)CC1
349536034	ZINC000621247277	low	5.15	-32.5	1	271.158	2.447	1	2	4	COc1cc(C[N@H+](C)C2CC2)c(Br)cn1
398249771	ZINC000381272044	ref	0.2	-90.53	2	215.297	-0.924	3	2	5	C[C@H]1CC[NH2+]C[C@@H]1NC(=O)COCC[NH3+]
222609485	ZINC000222497187	ref	6.22	-17.31	0	384.91	3.71	1	4	5	CSc1ccccc1NC(=O)c1cc(N(C)S(C)(=O)=O)ccc1Cl
178324836	ZINC000237661292	ref	6.14	-42.28	1	364.515	1.407	2	5	5	C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CSCC[NH2+]3)cn2)C[C@@H](C)O1
178324837	ZINC000237661292	low	6.47	-90.64	2	364.515	1.407	2	4	5	C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CSCC[NH2+]3)c[nH+]2)C[C@@H](C)O1
342089406	ZINC000609049803	ref	1.86	-9.07	0	260.403	1.59	3	3	6	CSCCNC(=O)NC[C@@H](O)C1CCCCC1
342089407	ZINC000609049758	ref	4.04	-14.7	0	253.258	1.614	2	4	5	CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
342089408	ZINC000609049758	mid	2.89	-29.7	-1	253.258	1.614	1	4	5	CCC[C@@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O
214200920	ZINC000278510396	low	8.39	-43.37	1	322.409	1.588	1	3	4	Cc1[nH+]c[nH]c1CC(=O)N1CCCN(C(=O)OCC(C)C)CC1
342089409	ZINC000071929199	low	7.09	-47.28	1	296.374	1.304	2	3	3	C[NH+](C)C1=C2CCN(Cc3ccccc3)[C@@H]2[C@H](C#N)C(=O)N1
342089410	ZINC000071929199	low	6.27	-51.75	1	296.374	1.304	2	3	3	C[NH+](C)C1=C2CCN(Cc3ccccc3)[C@@H]2C(C#N)C(=O)N1
342089411	ZINC000106589556	ref	0.44	-11.4	0	269.326	1.499	2	5	4	CC(=N/O)/C(C)=N\NS(=O)(=O)c1ccc(C)cc1
342089412	ZINC000106589556	high	1.45	-48.16	-1	269.326	1.499	1	5	4	CC(=N/[O-])/C(C)=N\NS(=O)(=O)c1ccc(C)cc1
342089413	ZINC000622702734	ref	4.36	-16.81	0	296.317	1.54	2	2	6	O=C(CCCc1cc(F)ccc1F)NC[C@@H]1CNC(=O)C1
342089414	ZINC000588343457	ref	6.28	-45.19	1	281.4	1.687	2	3	10	COCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCCCC#N
342089415	ZINC000588343457	mid	6.79	-46.05	1	281.4	1.687	2	3	10	COCC[N@H+]1CCC[C@@H]1CNC(=O)CCCCCC#N
342089416	ZINC000588343457	high	3.95	-15.39	0	281.4	1.687	1	4	10	COCCN1CCC[C@@H]1CNC(=O)CCCCCC#N
342089417	ZINC000609049759	ref	4.03	-14.67	0	253.258	1.614	2	4	5	CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[nH]c1=O
342089418	ZINC000609049759	mid	2.88	-29.69	-1	253.258	1.614	1	4	5	CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])c[n-]c1=O
342089419	ZINC000616318400	ref	5.24	-12.66	0	277.368	1.065	1	4	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2cncn2C1
342089420	ZINC000616318400	low	5.75	-41.78	1	277.368	1.065	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2c[nH+]cn2C1
342089421	ZINC000622702727	ref	3.89	-15.38	0	260.337	1.351	2	2	4	Cc1cccc([C@H](C)C(=O)NC[C@@H]2CNC(=O)C2)c1
342089422	ZINC000046796200	ref	7.01	-24.38	0	297.362	1.507	1	5	5	Cc1cc(C)n(CC(=O)NCCc2cn3ccccc3n2)n1
342089423	ZINC000046796200	low	7.44	-41.95	1	297.362	1.507	1	4	5	Cc1cc(C)n(CC(=O)NCCc2cn3ccccc3[nH+]2)n1
178324838	ZINC000237661292	high	5.09	-11.26	0	364.515	1.407	2	6	5	C[C@H]1CN(c2ccc(CNC(=O)C[C@H]3CSCCN3)cn2)C[C@@H](C)O1
178324839	ZINC000237673209	ref	4.18	-51.16	1	358.442	1.15	3	3	5	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3(C[NH3+])CCCC3)C2=O)cc1
178324840	ZINC000237671727	ref	6.51	-53.42	1	369.387	1.922	2	2	4	O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
178324841	ZINC000237681849	ref	4.94	-55.41	1	369.469	1.416	2	4	5	Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cc2)n1
178324842	ZINC000237666634	ref	8.65	-56.39	-1	357.41	1.864	0	6	5	Cc1cc(C)n(Cc2cccc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)c2)n1
398249767	ZINC000651465712	high	5.1	-5.49	0	284.407	3.34	2	3	3	Cc1n[nH]cc1[C@H](C)N[C@@H]1CCCN(C)c2ccccc21
185095103	ZINC000096091874	ref	5.39	-104.82	0	282.34	0.221	1	4	2	O=C([O-])[C@@H]1CC2(CC[NH2+]CC2)CN1C(=O)[C@H]1CCCO1
178324843	ZINC000237661541	ref	5.36	-55.32	1	354.454	1.665	2	4	6	C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)cn2)CCO1
282123725	ZINC000449157318	ref	5.34	-51.91	1	269.41	2.472	1	2	6	CC(C)[C@H](C)C[NH2+]Cc1cccc(S(C)(=O)=O)c1
282123730	ZINC000449156590	ref	7.53	-10.07	0	270.376	2.456	1	2	2	O=C(Cc1ccc2c(c1)NCC2)N1C[C@H]2CCC[C@H]2C1
178324844	ZINC000237661541	low	5.69	-106.97	2	354.454	1.665	2	3	6	C[C@H]1CN(c2ccc(CNC(=O)[C@@H](C[NH3+])c3ccccc3)c[nH+]2)CCO1
178324845	ZINC000237661541	high	5.01	-11.05	0	354.454	1.665	2	5	6	C[C@H]1CN(c2ccc(CNC(=O)[C@@H](CN)c3ccccc3)cn2)CCO1
178324846	ZINC000237677183	ref	3.81	-54.26	1	351.472	1.264	2	3	4	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@@H]1CCC[NH2+]C1
199273343	ZINC000181263852	ref	7.4	-14.58	0	309.369	2.742	1	3	4	COc1ccccc1C[C@@H]1CCCN1C(=O)c1c[nH]c(C#N)c1
178324847	ZINC000237671754	ref	6.51	-54.1	1	369.387	1.922	2	2	4	O=C(N[C@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1
178324848	ZINC000237670990	ref	4.01	-11.91	0	357.376	1.338	1	3	3	O=C([C@@H]1C[NH2+]CCO1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
178324849	ZINC000237670990	mid	4.01	-11.91	0	357.376	1.338	1	4	3	O=C([C@@H]1CNCCO1)N1CCN(Cc2cccc(C(F)(F)F)c2)CC1
178324850	ZINC000237673462	ref	5.51	-51.48	1	372.469	1.268	3	3	6	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NCC[C@@H]3CCC[NH2+]C3)C2=O)cc1
178324851	ZINC000237664699	ref	7.1	-43.12	1	374.441	1.624	2	4	5	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1
365650399	ZINC000623089625	ref	5.65	-48.54	1	315.412	1.553	1	4	7	CN(C)c1ncc(C[NH2+]CC2CCN(CC(F)F)CC2)n1C
365650411	ZINC000623090064	ref	5.68	-19.22	0	317.393	1.295	1	5	6	CCNC(=O)CN(C)C(=O)c1cnc2c(cnn2CC(C)C)c1
342602623	ZINC000617005775	low	6.73	-81.52	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602624	ZINC000617005775	low	6.14	-81.0	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
197609988	ZINC000163064492	ref	8.5	-14.16	0	306.362	2.472	0	4	3	Cc1c(CC(=O)N2C[C@@H](C)OC(C)(C)C2)cccc1[N+](=O)[O-]
342602625	ZINC000617005775	low	6.72	-81.43	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602626	ZINC000617005775	low	6.13	-80.91	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602627	ZINC000617005775	high	3.57	-10.41	0	278.4	1.577	2	3	5	C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCN1C(C)(C)C
365650421	ZINC000623090212	ref	5.57	-37.89	1	302.422	1.537	2	4	8	Cc1ccccc1-n1cc(CN(C)CC[N@H+](C)CCO)cn1
290624398	ZINC000492221521	ref	6.64	-15.52	0	342.439	2.335	1	3	4	CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]([C@@H]3CCOC3)C2)cc1
323005445	ZINC000566562409	ref	0.72	-6.42	0	243.303	0.476	1	4	4	CO[C@@H]1COC[C@H]1NC(=O)C1(OC)CCCC1
342602628	ZINC000617005775	high	3.61	-10.0	0	278.4	1.577	2	3	5	C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCN1C(C)(C)C
197609999	ZINC000163060540	ref	6.37	-12.9	0	305.407	2.314	2	5	3	C[C@H](NC(=O)N[C@H]1CCCc2sccc21)c1nncn1C
342602629	ZINC000617005372	ref	4.16	-39.73	1	297.443	1.639	2	3	5	CON1CCC(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1
342602630	ZINC000617005372	mid	5.41	-39.61	1	297.443	1.639	2	3	5	CON1CCC(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1
342602631	ZINC000617005372	high	2.38	-9.21	0	297.443	1.639	1	4	5	CON1CCC(CC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1
197610004	ZINC000163061802	ref	4.76	-7.75	0	301.184	2.303	0	4	4	COCCn1ncc(Br)c1[C@@]1(C)CCC(=O)C1
197610007	ZINC000163061404	ref	5.44	-44.13	1	319.445	2.456	2	3	7	C[C@H]([NH2+]C[C@H](O)CO[C@@H]1CCCc2ccccc21)[C@@H]1CCOC1
342602632	ZINC000617005644	ref	5.65	-37.91	1	280.412	1.957	2	2	4	C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602633	ZINC000617005644	mid	5.1	-37.67	1	280.412	1.957	2	2	4	C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602634	ZINC000617005644	high	3.23	-6.65	0	280.412	1.957	1	3	4	C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCN1C(C)(C)C
342602635	ZINC000590876598	ref	1.29	-11.41	0	274.32	1.545	3	4	3	N#Cc1cc(O)cc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1
306234754	ZINC000557926878	ref	2.48	-11.93	0	333.392	1.212	2	7	5	Cc1cc(Cn2nnc(C(=O)NC[C@]3(O)CCC[C@@H]3C)c2C)no1
349536018	ZINC000093299740	ref	1.14	-6.36	0	268.338	0.916	2	4	1	C[C@@H]1CCN(C(=O)C(=O)Nc2ccsc2)C[C@@H]1O
178324852	ZINC000237669303	ref	0.54	-51.28	1	353.366	1.301	2	4	6	O=S(=O)(NC[C@@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)nc1
178324853	ZINC000237667172	ref	5.46	-49.81	1	355.486	1.573	2	4	7	Cc1cc(C)n(Cc2cccc(C(=O)NCCCN3CC[NH2+]CC3)c2)n1
178324854	ZINC000237675633	ref	4.18	-15.81	0	359.446	1.017	1	5	5	O=C(C[C@H]1CSCC[NH2+]1)N1CCN(Cc2nccn2C(F)F)CC1
178324855	ZINC000237675633	high	4.18	-15.81	0	359.446	1.017	1	6	5	O=C(C[C@H]1CSCCN1)N1CCN(Cc2nccn2C(F)F)CC1
178324856	ZINC000237667736	ref	3.6	-52.74	1	357.432	1.422	1	5	7	Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC(OCCC[NH3+])CC1
178324858	ZINC000237668055	ref	8.55	-51.83	-1	368.433	1.713	2	4	9	Cc1cccc(C[C@H](CNC(=O)CNC(=O)Cc2ccccc2)C(=O)[O-])c1
342602636	ZINC000590876598	mid	2.03	-37.38	-1	274.32	1.545	2	4	3	N#Cc1cc([O-])cc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1
282123726	ZINC000248985766	ref	0.18	-7.63	0	305.378	1.609	2	6	7	Cc1ccccc1-c1nc(CN(C[C@@H](C)O)[C@H](C)CO)no1
342602637	ZINC000617005454	ref	6.29	-40.26	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1cccn1
349536023	ZINC000093300312	ref	1.38	-7.14	0	292.335	0.863	2	4	2	COc1ccc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](O)C2)cc1
349536028	ZINC000093289672	ref	2.76	-9.02	0	254.355	0.737	1	4	4	CN(CCc1cccs1)C(=O)[C@H]1COCCN1
178324859	ZINC000237674284	ref	5.34	-13.26	0	365.861	1.279	1	3	6	O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
178324861	ZINC000237674284	high	5.34	-13.26	0	365.861	1.279	1	4	6	O=C(CNC[C@@H]1CCCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1
178324862	ZINC000237671785	ref	5.48	-10.49	0	355.36	1.486	1	2	3	O=C1C[C@@H](C(=O)N2CC[NH2+]CC2)CN1Cc1cccc(C(F)(F)F)c1
342602638	ZINC000617005454	mid	5.16	-40.0	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1cccn1
282123731	ZINC000248985766	low	2.16	-29.78	1	305.378	1.609	3	5	7	Cc1ccccc1-c1nc(C[N@@H+](C[C@@H](C)O)[C@H](C)CO)no1
365650400	ZINC000576649314	ref	8.43	-58.2	0	233.311	2.256	1	2	4	Cc1ccc(C[NH2+][C@@H]2C[C@@H](C(=O)[O-])C2)c(C)c1
365650414	ZINC000576649970	ref	0.56	-14.59	0	239.275	-0.157	2	3	3	CC1(C)NC(=O)N(CC[C@@H]2CCNC2=O)C1=O
365650423	ZINC000576648979	ref	7.36	-11.92	0	205.261	2.099	0	4	3	CCc1nocc1Cn1cnc(C)c1C
365650403	ZINC000354729045	high	-0.34	-8.17	0	281.36	1.033	2	5	3	COc1nn(C)cc1NC(=O)N[C@@H]1CCN(C)[C@@H](C)C1
365650408	ZINC000354729162	ref	1.24	-7.98	0	298.427	1.297	2	4	7	CC[C@@H](O)CCCNC(=O)[C@@H]1COCCN1C1CCCC1
365650410	ZINC000354729162	low	3.52	-35.8	1	298.427	1.297	3	3	7	CC[C@@H](O)CCCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1
282123727	ZINC000305339231	ref	3.41	-9.9	0	324.465	2.432	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2
282123745	ZINC000418329764	ref	1.75	-49.48	1	285.432	1.472	4	2	7	CCC(CC)(CO)CNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1
282123758	ZINC000305287274	ref	3.0	-10.03	0	310.438	2.042	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2
136230241	ZINC000295471412	ref	5.26	-50.07	-1	213.277	1.119	0	3	7	C#CCO[C@@H](C)C(=O)[N-]OC[C@H](C)CC
365650417	ZINC000354729162	low	3.24	-32.94	1	298.427	1.297	3	3	7	CC[C@@H](O)CCCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1
365650422	ZINC000354729175	ref	3.39	-6.65	0	253.371	1.929	0	5	4	c1snnc1CN1CCOC[C@@H]1CC1CCC1
365650432	ZINC000354730168	ref	3.25	-40.9	1	279.384	1.313	2	4	7	CCn1nccc1C[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1
365650439	ZINC000354730168	high	2.93	-5.99	0	279.384	1.313	2	5	7	CCn1nccc1CN[C@H](C1CC1)[C@]1(CO)CCCO1
365650445	ZINC000354730513	ref	5.06	-20.38	0	282.303	1.155	2	4	4	O=C(NCCn1ccccc1=O)c1ccc2cc[nH]c2n1
365650453	ZINC000354730020	ref	3.51	-10.07	0	294.351	1.738	0	5	7	CCOCCOC1CN(C(=O)c2nc(C3CC3)oc2C)C1
365650460	ZINC000354729164	ref	1.27	-7.99	0	298.427	1.297	2	4	7	CC[C@@H](O)CCCNC(=O)[C@H]1COCCN1C1CCCC1
365650465	ZINC000354729164	low	3.28	-33.14	1	298.427	1.297	3	3	7	CC[C@@H](O)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1
365650469	ZINC000354729164	low	3.52	-35.85	1	298.427	1.297	3	3	7	CC[C@@H](O)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1
365650475	ZINC000354728973	ref	6.06	-9.43	0	278.377	1.952	0	4	3	C[C@H](Sc1ccccn1)C(=O)N1C[C@@H]2CC[C@H](C1)O2
365650480	ZINC000354730283	ref	-0.54	-16.72	0	270.329	1.167	2	5	8	CC[C@](C)(CCO)NC(=O)COCc1ncc(C)o1
342089424	ZINC000121733499	ref	4.92	-15.37	0	287.319	1.383	1	4	3	CC(=O)C[C@H]1COCCN1C(=O)c1ccc2n[nH]cc2c1
342089425	ZINC000588343382	ref	7.91	-37.16	1	284.4	1.565	2	3	8	CCOC(=O)C(C)(C)CC(=O)NC[C@H](C)[N@H+](C)C1CC1
365650486	ZINC000354729990	ref	5.33	-42.85	1	267.325	1.803	2	4	4	CCOC(=O)c1coc(C[N@@H+]2CCC[C@H](O)CC2)c1
282123774	ZINC000291723700	ref	2.92	-10.83	0	306.406	2.607	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1c2ccccc2O[C@H]1C
342089426	ZINC000588343382	mid	7.4	-37.4	1	284.4	1.565	2	3	8	CCOC(=O)C(C)(C)CC(=O)NC[C@H](C)[N@@H+](C)C1CC1
342089427	ZINC000588343382	high	5.36	-4.72	0	284.4	1.565	1	4	8	CCOC(=O)C(C)(C)CC(=O)NC[C@H](C)N(C)C1CC1
365650425	ZINC000617487065	ref	-1.07	-10.1	0	263.297	0.826	2	4	4	NC(=O)c1coc(CNC(=O)[C@@H]2CCC[C@H]3C[C@H]32)n1
342089428	ZINC000609049807	ref	2.15	-8.92	0	260.403	1.59	3	3	6	CSCCNC(=O)NC[C@H](O)C1CCCCC1
342089429	ZINC000624214255	ref	6.11	-42.99	1	273.384	1.693	2	4	5	C[C@@H]1CCCC[N@@H+]1CCNCc1cnc2ccnn2c1
342089430	ZINC000624214255	mid	6.43	-42.48	1	273.384	1.693	2	4	5	C[C@@H]1CCCC[N@H+]1CCNCc1cnc2ccnn2c1
349539024	ZINC000602466068	ref	4.22	-6.37	0	228.336	1.664	0	4	9	CC[C@](C)(CN(CCC#N)CCOC)OC
342089431	ZINC000624214255	mid	5.66	-56.27	1	273.384	1.693	1	4	5	C[C@@H]1CCCCN1CC[NH2+]Cc1cnc2ccnn2c1
342089432	ZINC000624214255	high	4.3	-8.31	0	273.384	1.693	1	5	5	C[C@@H]1CCCCN1CCNCc1cnc2ccnn2c1
342089433	ZINC000103088127	ref	5.25	-7.04	0	267.325	1.315	0	4	3	CCCCN1C(=O)[C@H]2CCC3(C[C@@H]2C1=O)OCCO3
342089434	ZINC000121732204	ref	5.56	-15.07	0	293.388	1.436	0	3	2	C[C@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CCS1(=O)=O
342089435	ZINC000046858465	ref	5.31	-45.1	1	297.443	1.673	3	2	9	CC(=O)NCCCCCC(=O)NCC[N@H+]1CCCC[C@H]1C
342089436	ZINC000046858465	mid	5.63	-44.48	1	297.443	1.673	3	2	9	CC(=O)NCCCCCC(=O)NCC[N@@H+]1CCCC[C@H]1C
398254079	ZINC000649451610	ref	7.21	-7.82	0	243.354	2.592	0	3	1	c1c(N2C[C@H]3CCCC[C@H]3C2)nnc2c1CCC2
342089437	ZINC000046858465	high	3.31	-13.33	0	297.443	1.673	2	3	9	CC(=O)NCCCCCC(=O)NCCN1CCCC[C@H]1C
342089438	ZINC000046855777	ref	6.65	-45.87	1	292.379	1.919	2	3	6	COc1ccc(C(=O)NCC[NH+]2CCCCC2)c(OC)c1
342089439	ZINC000046855777	high	4.26	-12.19	0	292.379	1.919	1	4	6	COc1ccc(C(=O)NCCN2CCCCC2)c(OC)c1
342089440	ZINC000074123397	ref	0.68	-8.35	0	265.269	1.343	1	6	6	COCCc1noc([C@@H](C)NC(=O)c2ccco2)n1
214200922	ZINC000278510196	ref	7.46	-50.26	1	306.431	2.555	2	3	5	CC(=O)c1csc(C(=O)NCC2CC[NH+](C3CC3)CC2)c1
178324892	ZINC000082827157	ref	6.03	-48.42	1	292.18	2.971	1	2	1	[NH3+][C@H]1CCCc2c1cnn2-c1ccccc1Br
342089441	ZINC000621364420	ref	1.42	-6.31	0	265.357	1.958	1	5	4	C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](C)[C@H](CO)C1
178328205	ZINC000001382405	ref	7.57	-17.04	0	215.216	1.275	1	6	1	Cc1ccc(-c2ccnc3nc(N)nn23)o1
342089442	ZINC000621364420	mid	3.65	-35.74	1	265.357	1.958	2	4	4	C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1
214200923	ZINC000293781117	ref	7.26	-17.5	0	360.414	0.203	1	7	7	COC[C@@]1(CNC(=O)CCn2ncn(C)c2=O)OCCc2ccccc21
214200925	ZINC000293787688	ref	7.98	-22.34	0	362.386	0.943	1	8	9	COC(=O)CCCOc1ccc(NC(=O)CCn2ncn(C)c2=O)cc1
282123732	ZINC000151700400	high	3.83	-8.92	0	324.513	2.282	2	3	6	CN1CCN(CCCCNC(=O)N[C@H]2CCCCC2(C)C)CC1
282123735	ZINC000151692940	ref	3.88	-7.16	0	306.337	2.068	2	3	5	COC[C@@H](NC(=O)c1cc(=O)[nH]c2cc(F)ccc12)C(C)C
342602639	ZINC000617005454	high	3.27	-8.51	0	278.4	1.823	1	4	5	C[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)n1cccn1
342602640	ZINC000617005596	ref	5.47	-37.92	1	290.407	1.751	3	2	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CO)c1ccccc1
214200928	ZINC000293790340	ref	4.93	-18.65	0	357.414	0.928	2	6	9	CCn1ncc(C(=O)NCCc2ccc(OCC(=O)NC3CC3)cc2)n1
214200930	ZINC000293779508	ref	3.21	-20.25	0	362.459	0.857	2	5	6	CN(C)c1ccc(NC(=O)C(=O)NCCCC2N=NC(=S)N2C)cc1
365650428	ZINC000623090212	mid	5.59	-37.78	1	302.422	1.537	2	4	8	Cc1ccccc1-n1cc(CN(C)CC[N@@H+](C)CCO)cn1
365650429	ZINC000623090212	high	3.24	-7.8	0	302.422	1.537	1	5	8	Cc1ccccc1-n1cc(CN(C)CCN(C)CCO)cn1
342602641	ZINC000617005596	mid	3.99	-41.39	1	290.407	1.751	3	2	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H](CO)c1ccccc1
342602642	ZINC000617005596	high	2.03	-9.81	0	290.407	1.751	2	3	5	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H](CO)c1ccccc1
342602643	ZINC000617005748	ref	5.06	-38.41	1	280.412	1.79	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1COC2(C)C
398249769	ZINC000651465671	ref	4.99	-8.26	0	286.375	3.208	2	4	6	COc1cccc2c(NCCC3(CO)CCC3)nccc12
214200933	ZINC000293778909	ref	7.39	-16.54	0	362.365	0.25	1	7	3	COc1cc(N2CCN(C(=O)C(=O)Nc3ncn(C)n3)CC2)ccc1F
365650436	ZINC000623090337	ref	4.92	-18.46	0	324.344	1.776	2	6	3	O=C(Nc1ccc2ncnn2c1)N[C@@H]1CCO[C@H]1c1cccnc1
342602644	ZINC000617005748	mid	5.72	-38.6	1	280.412	1.79	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1COC2(C)C
342602645	ZINC000617005748	high	2.8	-7.47	0	280.412	1.79	1	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@]12C[C@@H]1COC2(C)C
365650447	ZINC000623090554	ref	3.08	-37.27	1	308.422	1.21	2	4	9	CN(CC[N@H+](C)CCO)Cc1ccc(O[C@@H]2CCOC2)cc1
342602646	ZINC000590876718	ref	7.13	-11.88	0	291.347	1.779	0	4	4	COC(=O)C[C@@H](C)C(=O)N1CCc2cccc(OC)c2C1
365650430	ZINC000576648979	mid	7.82	-37.0	1	205.261	2.099	0	3	3	CCc1nocc1Cn1c[nH+]c(C)c1C
365650438	ZINC000576650496	ref	1.4	-11.22	0	235.349	0.962	1	3	5	CCC[C@@H](C)S(=O)(=O)N1CCC[C@H]1CO
365650451	ZINC000576649954	ref	7.96	-48.97	1	229.327	2.061	1	2	5	Cc1ncc(C[NH2+]CCc2ccccc2)n1C
214200924	ZINC000278509876	ref	4.6	-42.15	1	316.445	2.152	2	3	6	OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1
214200926	ZINC000278509876	mid	7.01	-112.87	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1
214200927	ZINC000278509876	mid	6.9	-110.27	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC=CO1
365650458	ZINC000576649954	low	8.44	-104.64	2	229.327	2.061	1	1	5	Cc1[nH+]cc(C[NH2+]CCc2ccccc2)n1C
398249772	ZINC000651465671	low	5.37	-30.31	1	286.375	3.208	2	3	6	COc1cccc2c(NCCC3(CO)CCC3)[nH+]ccc12
398249775	ZINC000651467825	ref	6.36	-9.83	0	293.798	3.416	1	4	6	CCn1ccnc1[C@H](C)NCc1ccc(Cl)c(OC)c1
398249778	ZINC000651467825	mid	7.66	-48.18	1	293.798	3.416	1	3	6	CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1
398249780	ZINC000651466287	ref	5.53	-8.31	0	281.44	3.116	2	2	5	CC(C)C1(CNC(=O)C2CCC(C(C)(C)O)CC2)CC1
365650468	ZINC000576649837	ref	2.08	-7.92	0	220.301	1.531	1	5	4	Cc1cnc(CNCc2ncccn2)s1
365650481	ZINC000576650016	ref	6.57	-33.35	1	233.359	2.781	1	2	4	CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]Cc1ncccn1
365650487	ZINC000576650016	high	5.63	-4.6	0	233.359	2.781	1	3	4	CC[C@@H]1CC[C@H](C)C[C@H]1NCc1ncccn1
365650495	ZINC000576648875	ref	4.43	-6.79	0	220.251	1.474	1	4	1	N#Cc1ccc(N2CCC[C@@H](F)C2)nc1N
214200929	ZINC000278510524	ref	5.87	-9.19	0	319.434	2.361	1	6	4	C[C@H]1CCCN(Cc2csc(NC(=O)c3cncn3C)n2)C1
365650506	ZINC000576647687	ref	7.4	-46.13	1	247.338	2.592	1	2	4	C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OCO3)[C@@H]1C
365650513	ZINC000576647926	ref	3.87	-7.07	0	232.239	2.16	0	5	4	CC(=O)c1cc(COc2ccc(C)cn2)on1
306234755	ZINC000557929529	ref	3.11	-13.9	0	336.417	1.468	1	6	6	COCc1cc(N(C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)ncn1
342602647	ZINC000590876015	ref	3.4	-13.29	0	286.441	1.23	0	3	1	CN1CCCC[C@@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1
343995664	ZINC000599276944	mid	7.17	-36.99	1	255.358	1.421	2	3	8	CCOC(=O)C[C@H](O)C[N@@H+](C)C(C1CC1)C1CC1
365650525	ZINC000576648629	ref	6.7	-6.68	0	249.358	2.277	1	4	5	Cc1ncc(C)c(NCCC[C@H]2CCCCO2)n1
398249783	ZINC000651467884	ref	6.62	-38.37	1	291.382	3.332	1	2	7	COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(OC(F)F)CC1
214200931	ZINC000278510524	low	8.44	-38.09	1	319.434	2.361	2	5	4	C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cncn3C)n2)C1
214200932	ZINC000278510524	low	8.1	-38.48	1	319.434	2.361	2	5	4	C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cncn3C)n2)C1
365650433	ZINC000617487150	ref	-1.71	-13.39	0	267.285	0.203	2	5	4	C[C@H]1C[C@@H](C)O[C@H]1C(=O)NCc1nc(C(N)=O)co1
365650441	ZINC000617486994	ref	-0.52	-12.94	0	295.339	0.985	2	5	6	CC1CCC(OCC(=O)NCc2nc(C(N)=O)co2)CC1
214200934	ZINC000278511378	ref	3.64	-16.95	0	301.346	1.798	1	5	4	Cc1nc(C2CC2)oc1C(=O)NCc1ccc(C)n(C)c1=O
214200936	ZINC000278509803	ref	7.13	-14.36	0	302.284	2.61	2	3	3	Cc1[nH]nc(NC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1C#N
178324864	ZINC000237671785	mid	5.48	-10.49	0	355.36	1.486	1	3	3	O=C1C[C@@H](C(=O)N2CCNCC2)CN1Cc1cccc(C(F)(F)F)c1
178324865	ZINC000237667882	ref	4.71	-55.28	1	352.5	1.873	2	3	7	C[C@H](CC(=O)NCc1ccccc1CS(C)(=O)=O)[C@H]1CCC[NH2+]C1
178324867	ZINC000237673256	ref	4.33	-58.17	1	358.442	1.148	3	3	4	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3CCC([NH3+])CC3)C2=O)cc1
214200938	ZINC000278509849	ref	3.49	-44.23	1	314.223	2.389	2	2	5	Cc1cc(Br)ccc1C[NH2+][C@]1(CCO)CCOC1
214200940	ZINC000278509849	high	2.61	-4.95	0	314.223	2.389	2	3	5	Cc1cc(Br)ccc1CN[C@]1(CCO)CCOC1
214200941	ZINC000278510611	ref	7.04	-9.82	0	304.398	1.949	2	7	4	CC(C)O[C@@H]1C[C@H](Nc2nc(N)c3cnn(C)c3n2)C1(C)C
214200943	ZINC000278510611	low	7.39	-35.3	1	304.398	1.949	2	6	4	CC(C)O[C@@H]1C[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1(C)C
214200944	ZINC000278510501	ref	7.62	-40.01	1	301.434	2.566	2	2	5	CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1cccnc1
214200946	ZINC000278510501	high	5.39	-9.14	0	301.434	2.566	1	3	5	CC(C)[C@@H](CNC(=O)C12CCCN1CCC2)c1cccnc1
365654354	ZINC000274407279	mid	5.08	-14.84	0	288.355	1.378	2	5	6	Cn1nc2c(c1NC(=O)CCCCc1cn[nH]n1)CCC2
365654357	ZINC000274405960	ref	6.04	-40.5	1	293.415	1.734	3	2	5	Cc1n[nH]cc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C
365654360	ZINC000274405960	mid	5.87	-42.64	1	293.415	1.734	3	2	5	Cc1n[nH]cc1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C
136230242	ZINC000233223421	ref	3.73	-41.25	1	228.336	0.999	1	2	5	CCCOCC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+]
214200948	ZINC000278509976	ref	3.23	-58.46	1	319.398	1.375	1	4	10	CCOc1ccc(C[NH2+]CCOCCS(C)(=O)=O)cc1F
136230243	ZINC000233222904	ref	4.2	-47.62	1	228.336	1.0	1	2	6	CCCOCC(=O)N1CCC[C@H](CC[NH3+])C1
214200935	ZINC000293792438	ref	4.39	-26.93	0	365.455	0.919	0	4	4	CN(C(=O)c1cccc(N2CCCC2=O)c1)[C@@H]1CCN(S(C)(=O)=O)C1
282123733	ZINC000248985766	low	1.95	-29.61	1	305.378	1.609	3	5	7	Cc1ccccc1-c1nc(C[N@H+](C[C@@H](C)O)[C@H](C)CO)no1
197610016	ZINC000163060564	ref	2.0	-16.04	0	317.389	3.179	3	4	6	Cc1ccc(NC(=O)N[C@@H](CCO)C(C)C)cc1-c1ncco1
342602648	ZINC000590876015	low	5.15	-46.39	1	286.441	1.23	1	2	1	C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1
214200937	ZINC000293792776	ref	3.7	-18.44	0	354.428	0.76	0	5	7	CN(C(=O)CCOc1ccc(C=O)cc1)[C@@H]1CCN(S(C)(=O)=O)C1
342602649	ZINC000590876015	low	5.67	-44.51	1	286.441	1.23	1	2	1	C[N@H+]1CCCC[C@@H]1C(=O)N1CC[S@](=O)C(C)(C)CC1
342602650	ZINC000617005676	ref	3.19	-35.09	1	284.4	1.029	2	3	5	COC[C@@]1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOC1
342602651	ZINC000617005676	mid	3.73	-35.2	1	284.4	1.029	2	3	5	COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOC1
342602652	ZINC000617005676	high	1.29	-6.64	0	284.4	1.029	1	4	5	COC[C@@]1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOC1
342602653	ZINC000590876876	ref	7.65	-18.88	0	289.331	1.389	0	4	3	COC(=O)[C@H]1C[C@H]1C(=O)N1CCc2cccc(OC)c2C1
214200939	ZINC000293790773	ref	-0.85	-17.71	0	372.805	0.482	3	6	8	COc1cc(C(=O)NC[C@H]2CC[C@@H](CO)O2)cc(Cl)c1OCC(N)=O
214200942	ZINC000293779514	ref	2.29	-9.72	0	352.435	0.773	3	6	8	COCCn1ccc(NC(=O)C(=O)NC[C@H](CO)C2CCCCC2)n1
214200945	ZINC000293779118	ref	1.79	-15.66	0	369.443	0.942	2	5	6	CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@@H]2COC)cc1C
290624399	ZINC000492537719	ref	6.56	-14.37	0	254.293	2.14	1	4	3	Cc1cc(NC(=O)/C=C/c2cnccc2C)ncn1
342602654	ZINC000590877510	ref	5.27	-9.62	0	271.357	1.385	2	4	7	CCC[C@@H](O)CC(=O)N[C@@H]1CCC[C@@H]1C(=O)OCC
214200947	ZINC000293783430	ref	4.61	-9.7	0	360.155	0.429	0	4	2	Cn1ncc(C(=O)N2CC(=O)N(C3CC3)C2)c1I
214200950	ZINC000293787251	ref	4.0	-27.35	0	371.394	0.0	1	7	6	CN(C)S(=O)(=O)c1cc(NC(=O)CCn2ncn(C)c2=O)ccc1F
214200952	ZINC000293787284	ref	-0.21	-15.03	0	355.416	0.137	2	5	4	CCOC1CN(C(=O)C(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)C1
342602655	ZINC000617005425	ref	2.7	-40.0	1	270.417	1.774	3	2	6	CCC(CC)(CO)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
168367867	ZINC000043334304	mid	4.2	-30.61	1	194.278	1.764	2	2	3	C[C@@H](N)[C@H](c1ccco1)[NH+]1CCCC1
342602656	ZINC000617005425	mid	3.25	-40.46	1	270.417	1.774	3	2	6	CCC(CC)(CO)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602657	ZINC000617005425	high	0.77	-10.9	0	270.417	1.774	2	3	6	CCC(CC)(CO)C(=O)NC[C@@H]1CCN1C(C)(C)C
342602658	ZINC000617005479	ref	4.67	-39.59	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1
178324869	ZINC000237668932	ref	5.31	-55.48	1	367.515	1.579	2	3	7	C[C@H](CC(=O)NCc1ccccc1S(=O)(=O)N(C)C)[C@@H]1CCC[NH2+]C1
214200949	ZINC000278509976	high	1.8	-16.64	0	319.398	1.375	1	5	10	CCOc1ccc(CNCCOCCS(C)(=O)=O)cc1F
214200951	ZINC000278509855	ref	5.02	-51.98	1	310.413	2.425	1	3	7	CCOc1ccc(C[NH2+]CCN2CCOCC2(C)C)cc1F
349536025	ZINC000594971111	ref	7.92	-52.82	1	298.289	2.622	1	3	8	O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCO[C@H]1CC1(F)F
214200953	ZINC000278509855	high	3.67	-6.7	0	310.413	2.425	1	4	7	CCOc1ccc(CNCCN2CCOCC2(C)C)cc1F
214200955	ZINC000278510858	ref	4.94	-41.05	1	306.406	2.427	2	3	6	COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCOC[C@H]2C)cc1
214200957	ZINC000278510902	ref	6.99	-35.06	1	303.475	3.49	1	3	8	CC[C@](C)([NH2+]CCN(C)Cc1ccccc1)c1nccs1
178324871	ZINC000237677664	ref	2.9	-59.9	1	351.472	1.392	2	3	4	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H]1CCC[C@@H]1C[NH3+]
178324873	ZINC000237677314	ref	6.01	-59.68	1	356.451	1.898	2	5	6	Cc1ccc(-c2csc3ncn(CCC(=O)NCC[NH3+])c(=O)c23)cc1
432002790	ZINC000062245035	ref	9.27	-41.97	1	318.461	3.002	2	2	9	CC[N@@H+]1CC[C@H](CNC(=O)CCCCOc2cccc(C)c2)C1
178324879	ZINC000237678731	ref	4.44	-52.88	1	350.484	1.342	1	3	2	C[C@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C1(c2ccccc2)CC[NH2+]CC1
349536029	ZINC000594971111	high	6.49	-11.76	0	298.289	2.622	1	4	8	O=[N+]([O-])c1ccccc1/C=C\CNCCO[C@H]1CC1(F)F
178324880	ZINC000237669211	ref	1.16	-49.3	1	367.393	1.691	2	4	7	O=S(=O)(NCC[C@H]1CCC[NH2+]C1)c1ccc(OCC(F)(F)F)nc1
190597660	ZINC000270096541	ref	7.96	-45.97	1	287.407	2.194	1	2	2	Cc1cncc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)c1
290624401	ZINC000492538715	ref	4.6	-12.21	0	291.825	2.298	1	3	5	C[C@H](C[S@](C)=O)NC(=O)/C=C\c1ccc(Cl)s1
185091501	ZINC000096081582	ref	4.37	-11.18	0	297.358	1.156	0	4	4	C=CCN1C(=O)CO[C@@H]2CN(Cc3cccc(C#N)c3)C[C@H]21
185091503	ZINC000096081582	mid	7.23	-61.11	1	297.358	1.156	1	3	4	C=CCN1C(=O)CO[C@@H]2C[N@@H+](Cc3cccc(C#N)c3)C[C@H]21
349536036	ZINC000594970330	ref	7.29	-52.25	1	290.363	2.749	2	3	7	C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1(CO)CC1
349536039	ZINC000594970282	ref	7.1	-40.91	1	297.439	2.638	2	3	5	C[C@H]([NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1(CO)CC1
323005446	ZINC000566561927	ref	8.75	-41.07	1	239.378	3.97	1	0	2	F[C@@H]1CCC[C@H]([NH2+]C2CC3(CCCCC3)C2)C1
178324882	ZINC000237671549	ref	2.72	-14.6	0	357.458	1.371	2	5	8	Cn1cc(C[NH2+]Cc2cccc(NC(=O)CCN3CCOCC3)c2)cn1
178324885	ZINC000237671549	mid	6.49	-101.91	2	357.458	1.371	2	6	8	Cn1cc(CNCc2cccc(NC(=O)CCN3CCOCC3)c2)cn1
214200954	ZINC000293777458	ref	2.12	-22.45	0	365.34	0.512	3	4	4	O=C(NCC(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1)c1ccc(F)c(F)c1
398249774	ZINC000381272443	ref	1.29	-8.47	0	227.312	0.361	1	6	7	CC[C@@H](C)[C@H](CNCc1nnn(C)n1)OC
398249777	ZINC000381272443	low	2.72	-41.22	1	227.312	0.361	1	5	7	CC[C@@H](C)[C@H](C[NH2+]Cc1nnn(C)n1)OC
178324887	ZINC000237671549	low	6.49	-101.91	2	357.458	1.371	3	4	8	Cn1cc(C[NH2+]Cc2cccc(NC(=O)CC[NH+]3CCOCC3)c2)cn1
178324889	ZINC000237666378	ref	6.33	-85.98	2	362.522	1.751	3	4	5	Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1
178324891	ZINC000237666378	mid	6.36	-85.52	2	362.522	1.751	3	4	5	Cc1c(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1
178324893	ZINC000237666378	high	4.44	-49.8	1	362.522	1.751	2	5	5	Cc1c(C(=O)NCC(C)(C)N2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1
178324897	ZINC000237664815	ref	5.01	-52.61	1	365.499	1.641	2	4	7	Cc1cc(C(=O)CCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)s1
178324900	ZINC000237675869	ref	5.71	-49.06	1	374.876	1.433	2	5	6	O=C(NCCN1CC[NH2+]CC1)c1nc(C2CC2)n(-c2ccccc2Cl)n1
178324903	ZINC000237668076	ref	8.11	-41.91	1	373.497	1.789	2	3	6	Cc1ccc(C)c(OCC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
178324908	ZINC000237673543	ref	8.71	-97.42	2	359.518	1.488	2	4	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)CCC1CC[NH2+]CC1
342602659	ZINC000617005479	mid	5.92	-39.75	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@H](C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1
214200956	ZINC000293777458	mid	1.28	-55.34	-1	365.34	0.512	2	4	4	O=C(NCC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1)c1ccc(F)c(F)c1
214200958	ZINC000293788086	ref	3.17	-20.16	0	367.471	0.629	0	5	4	CN(C(=O)c1ccc(N2CCOCC2)cc1)[C@H]1CCN(S(C)(=O)=O)C1
178324910	ZINC000237673543	mid	8.71	-97.42	2	359.518	1.488	3	3	7	C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)CCC1CC[NH2+]CC1
178324913	ZINC000237679156	ref	1.76	-65.26	0	365.377	1.82	1	3	3	Cc1cc(C(=O)N2CCC([NH3+])CC2)ccc1[N-]S(=O)(=O)C(F)(F)F
192340736	ZINC000421451927	ref	6.76	-11.1	0	236.34	2.826	1	3	2	Cc1cnc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)s1
398249781	ZINC000381277995	ref	1.83	-90.54	2	211.353	0.657	3	0	4	[NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+]C2)C1
214200959	ZINC000278510902	mid	8.0	-42.89	1	303.475	3.49	2	3	8	CC[C@](C)(NCC[N@H+](C)Cc1ccccc1)c1nccs1
214200960	ZINC000278510902	mid	8.0	-42.87	1	303.475	3.49	2	3	8	CC[C@](C)(NCC[N@@H+](C)Cc1ccccc1)c1nccs1
214200962	ZINC000278510902	high	5.68	-3.99	0	303.475	3.49	1	4	8	CC[C@](C)(NCCN(C)Cc1ccccc1)c1nccs1
342602660	ZINC000617005479	high	2.91	-9.54	0	268.401	1.79	1	3	4	CO[C@@H]1CC[C@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)C1
342602661	ZINC000590878341	ref	6.97	-15.41	0	264.325	1.528	1	4	5	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CC1(C#N)CC1
342602662	ZINC000590876594	ref	2.33	-26.9	0	295.404	1.705	2	3	4	C[S@](=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1
214200963	ZINC000278510943	ref	7.21	-15.04	0	315.392	3.216	1	3	5	Cc1cccc(NC(=O)CN(C)Cc2ccc(F)nc2C)c1C
365650443	ZINC000336563772	mid	7.1	-58.58	1	293.432	2.085	1	2	3	C[C@@]1(c2ccccc2)CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1
365650446	ZINC000336563772	mid	4.7	-10.93	0	293.432	2.085	0	3	3	C[C@@]1(c2ccccc2)CCN(C[C@@H]2CCS(=O)(=O)C2)C1
342602663	ZINC000617005559	ref	7.33	-35.03	1	264.373	1.506	2	3	4	CCn1cnc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1
178324895	ZINC000065355679	ref	4.44	-9.9	0	203.216	2.902	1	2	1	Cc1ccc(-c2ccc(O)cn2)c(F)c1
178324899	ZINC000254286884	ref	3.93	-7.52	0	238.29	2.614	2	2	1	Cc1ccc(-c2ccc3c(c2)[C@@H](N)C(=O)N3)cc1
342602664	ZINC000617005559	mid	6.2	-35.46	1	264.373	1.506	2	3	4	CCn1cnc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1
342602665	ZINC000617005559	high	4.31	-10.49	0	264.373	1.506	1	4	4	CCn1cnc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1
342602666	ZINC000617005453	ref	5.18	-39.9	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1cccn1
342602667	ZINC000617005453	mid	6.43	-40.36	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1cccn1
342602668	ZINC000617005453	high	3.41	-8.5	0	278.4	1.823	1	4	5	C[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)n1cccn1
178324905	ZINC000254286884	mid	4.24	-48.1	1	238.29	2.614	2	1	1	Cc1ccc(-c2ccc3c(c2)[C@@H]([NH3+])C(=O)N3)cc1
398249776	ZINC000390797504	ref	1.44	-37.94	1	226.32	0.653	2	2	4	CC[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)C(N)=O
136230244	ZINC000295635172	ref	6.4	-16.18	0	227.279	1.375	0	2	3	C#CCO[C@H](C)C(=O)N1CCC[C@@](C)(F)C1
342602669	ZINC000617005675	ref	3.23	-35.17	1	284.4	1.029	2	3	5	COC[C@]1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOC1
136230245	ZINC000295475090	ref	4.17	-12.93	0	227.304	0.812	1	3	7	C#CCO[C@@H](C)C(=O)NC[C@H](OC)C(C)C
398249779	ZINC000390790952	ref	1.61	-39.71	1	212.293	0.278	2	2	2	C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C
342089443	ZINC000621364420	mid	3.56	-37.57	1	265.357	1.958	2	4	4	C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](C)[C@H](CO)C1
214200961	ZINC000293785910	ref	6.45	-10.57	0	360.345	0.869	1	6	2	COC(=O)c1cnn(C)c1NC(=O)C(=O)N1CCc2c(F)cccc2C1
342089444	ZINC000103088123	ref	5.28	-8.84	0	267.325	1.315	0	4	3	CCCCN1C(=O)[C@H]2CC3(CC[C@H]2C1=O)OCCO3
342089445	ZINC000100837952	ref	6.15	-11.21	0	272.366	1.856	0	5	5	CCS[C@H](C)C[C@H]1CC(=O)CC(=O)[C@@H]1C(=O)OC
342089446	ZINC000100837952	mid	6.83	-42.75	-1	272.366	1.856	1	5	5	CCS[C@H](C)C[C@H]1CC(=O)CC(O)=C1C(=O)OC
343995665	ZINC000079963253	ref	5.19	-11.38	0	290.285	2.255	0	3	6	COCCN(Cc1cccnc1)C(=O)[C@H](C)C(F)(F)F
214200964	ZINC000293782224	ref	4.43	-17.07	0	354.414	0.969	0	7	5	CN(C)[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1cncn1C
214200966	ZINC000293782224	low	4.94	-45.66	1	354.414	0.969	0	6	5	CN(C)[C@H](C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)c1c[nH+]cn1C
343995666	ZINC000079963510	ref	9.0	-14.58	0	280.412	2.139	0	2	4	CCC[C@H]1C[C@H]1C(=O)N1CCCN(C(=O)C(C)C)CC1
343995668	ZINC000079962755	ref	4.49	-14.46	0	263.263	2.104	1	3	3	Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)C(F)(F)F
343995670	ZINC000079957801	ref	6.69	-5.96	0	267.3	2.206	1	3	4	CCOC(=O)C(C)(C)NC(=O)c1cc(C)cc(F)c1
365650449	ZINC000336563210	ref	3.51	-19.78	0	294.257	2.004	1	3	3	O=C(c1cc2ccccc2[nH]c1=O)N1CC(OC(F)F)C1
365650457	ZINC000336563458	ref	7.3	-44.36	1	289.37	2.157	2	1	3	CC(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)CC1
342089447	ZINC000100837952	high	6.72	-43.92	-1	272.366	1.856	0	5	5	CCS[C@H](C)C[C@H]1CC(=O)C=C([O-])[C@@H]1C(=O)OC
342089448	ZINC000100837952	high	6.72	-43.92	-1	272.366	1.856	0	5	5	CCS[C@H](C)C[C@H]1CC([O-])=CC(=O)[C@@H]1C(=O)OC
342089449	ZINC000200228950	ref	5.85	-53.75	-1	298.346	1.89	0	6	3	C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1ncccn1
214200969	ZINC000293779181	ref	3.12	-16.47	0	373.417	0.186	3	7	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(-n2nnnc2C)c1)C(C)C
349536026	ZINC000621500579	ref	7.59	-9.11	0	272.339	3.006	1	1	3	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@@H]2CCC[C@H]21
214200971	ZINC000293782214	ref	4.47	-17.28	0	354.414	0.969	0	7	5	CN(C)[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1cncn1C
349536030	ZINC000621498914	ref	7.94	-10.38	0	272.339	3.029	1	1	5	CN(C[C@@H]1CC=CCC1)C(=O)NCC[C@@H]1CC1(F)F
349539026	ZINC000602466068	mid	5.94	-43.24	1	228.336	1.664	1	3	9	CC[C@](C)(C[N@@H+](CCC#N)CCOC)OC
342089450	ZINC000600315283	ref	8.43	-47.3	1	284.4	1.424	2	3	5	CCOC(=O)C(C)(C)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342089451	ZINC000600315283	mid	8.34	-48.26	1	284.4	1.424	2	3	5	CCOC(=O)C(C)(C)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
342089452	ZINC000034607539	ref	4.07	-14.96	0	262.309	1.046	1	3	3	CC(=O)Nc1ccccc1CC(=O)N1CCOCC1
342089453	ZINC000588343399	ref	6.5	-12.0	0	279.299	1.857	0	4	3	N#Cc1ccnc(C(=O)N2CC(Oc3ccccc3)C2)c1
342089454	ZINC000108506726	ref	5.33	-11.82	0	280.331	1.818	1	4	4	Nc1ccc([C@@H]2C=NN(CCc3ccccn3)C2=O)cc1
178324918	ZINC000082827047	ref	5.85	-56.58	1	258.281	2.117	1	4	2	[NH3+][C@H]1CCCc2c1cnn2-c1cccc([N+](=O)[O-])c1
342089455	ZINC000108506726	high	5.25	-46.57	-1	280.331	1.818	1	4	4	Nc1ccc(-c2c[n-]n(CCc3ccccn3)c2=O)cc1
342089456	ZINC000600315173	ref	4.17	-12.14	0	296.258	1.27	1	7	6	CCOC(=O)c1cc(C(=O)Nc2cnn(CCF)c2)on1
342089457	ZINC000046858467	ref	5.63	-44.48	1	297.443	1.673	3	2	9	CC(=O)NCCCCCC(=O)NCC[N@H+]1CCCC[C@@H]1C
342089458	ZINC000046858467	mid	5.31	-45.08	1	297.443	1.673	3	2	9	CC(=O)NCCCCCC(=O)NCC[N@@H+]1CCCC[C@@H]1C
342089459	ZINC000046858467	high	3.52	-13.63	0	297.443	1.673	2	3	9	CC(=O)NCCCCCC(=O)NCCN1CCCC[C@@H]1C
199273345	ZINC000181265104	ref	2.55	-8.81	0	300.358	2.161	2	4	7	CC[C@@H](CO)NC(=O)c1ccc(OCc2ccccc2)nc1
306234756	ZINC000557934658	ref	1.63	-17.93	0	347.481	1.059	2	4	6	CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCC[C@@H]1CCCCO1
306234757	ZINC000557929158	ref	4.31	-15.2	0	339.359	1.462	1	8	4	Cc1nc(Cn2nnc(C(=O)Nc3cc4c(cn3)CCC4)c2C)no1
342089460	ZINC000617966149	ref	5.38	-11.62	0	293.363	1.924	1	4	6	COC[C@@H](NC(=O)[C@@H]1OCC[C@@H]1C)c1cccc(OC)c1
365650452	ZINC000623090554	mid	3.09	-37.0	1	308.422	1.21	2	4	9	CN(CC[N@@H+](C)CCO)Cc1ccc(O[C@@H]2CCOC2)cc1
342089461	ZINC000046855900	ref	7.4	-49.97	1	280.343	1.807	2	2	6	O=C(COc1ccccc1F)NCC[NH+]1CCCCC1
342089462	ZINC000046855900	high	5.01	-15.79	0	280.343	1.807	1	3	6	O=C(COc1ccccc1F)NCCN1CCCCC1
199273348	ZINC000181262153	ref	5.25	-14.21	0	300.362	2.088	2	4	2	Cc1ccc(-n2cc(C)cn2)c(NC(=O)N2CC[C@@H](O)C2)c1
342089463	ZINC000622702722	ref	3.8	-15.66	0	260.337	1.044	2	2	5	CCc1ccccc1CC(=O)NC[C@@H]1CNC(=O)C1
178324940	ZINC000082827029	ref	6.37	-55.72	1	258.281	2.117	1	4	2	[NH3+][C@H]1CCCc2c1cnn2-c1ccccc1[N+](=O)[O-]
342089464	ZINC000621364419	ref	1.03	-7.15	0	265.357	1.958	1	5	4	C[C@@H](c1nc(C2CC2)no1)N1CC[C@@H](C)[C@@H](CO)C1
365650454	ZINC000625121581	high	3.62	-46.16	-1	319.373	2.367	0	3	4	Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H](C)C2)c(F)c1F
214200965	ZINC000278510943	low	8.75	-56.66	1	315.392	3.216	2	2	5	Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(F)nc2C)c1C
214200967	ZINC000278510943	low	8.68	-57.22	1	315.392	3.216	2	2	5	Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(F)nc2C)c1C
214200968	ZINC000278510704	ref	5.76	-10.88	0	306.793	3.285	2	2	2	Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCOC[C@@H]1C
342602670	ZINC000617005675	mid	4.28	-34.88	1	284.4	1.029	2	3	5	COC[C@]1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOC1
365650459	ZINC000625120951	ref	11.33	-34.44	1	322.408	2.406	1	2	5	C[N@H+](CC#CCN1C(=O)c2ccccc2C1=O)C(C1CC1)C1CC1
178324915	ZINC000237677656	ref	3.77	-49.78	1	356.264	1.238	2	3	6	C[C@H](Oc1ccccc1Br)C(=O)NCCN1CC[NH2+]CC1
178324919	ZINC000237670940	ref	9.12	-93.48	2	356.514	1.703	2	3	5	C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2
178324923	ZINC000237670940	mid	9.12	-93.48	2	356.514	1.703	3	2	5	C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC12CC[NH2+]CC2
178324926	ZINC000237674138	ref	8.02	-127.23	2	367.497	1.451	2	4	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C[NH3+])c1ccccc1
349536031	ZINC000093289672	mid	4.0	-38.79	1	254.355	0.737	1	3	4	CN(CCc1cccs1)C(=O)[C@H]1COCC[NH2+]1
178324929	ZINC000237674138	mid	5.34	-9.16	0	367.497	1.451	3	3	7	C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H](C[NH3+])c1ccccc1
178324931	ZINC000237674138	high	5.34	-9.16	0	367.497	1.451	2	5	7	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H](CN)c1ccccc1
178324934	ZINC000237670612	ref	7.46	-109.25	2	360.502	1.082	2	4	8	C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)C[NH2+]C[C@@H]1CCCO1
178324938	ZINC000237670612	mid	3.8	-10.81	0	360.502	1.082	3	3	8	C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[NH2+]C[C@@H]1CCCO1
178324941	ZINC000237670612	high	3.8	-10.81	0	360.502	1.082	2	5	8	C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)CNC[C@@H]1CCCO1
178324942	ZINC000237676421	ref	5.21	-61.09	1	372.513	1.408	1	3	4	C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C1
178324946	ZINC000237674545	ref	9.19	-105.83	2	371.529	1.629	2	4	5	C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1
178324948	ZINC000237674545	low	9.19	-105.83	2	371.529	1.629	3	3	5	C[C@H](C[NH+]1CCN(c2ccccn2)CC1)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1
178324916	ZINC000038069465	ref	7.18	-5.95	0	239.318	3.568	1	2	1	Cc1ccc(-c2ccc3c(c2)C[C@@H](C)O3)cc1N
178324920	ZINC000020391412	ref	7.86	-45.67	1	225.335	3.99	1	0	2	Cc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1C
398249782	ZINC000390790952	high	0.0	-6.27	0	212.293	0.278	2	3	2	C[C@@H]1OCC[C@@H]1NC(=O)[C@@H]1NCC1(C)C
168365602	ZINC000368505928	ref	4.53	-9.1	0	339.399	3.149	2	5	6	CCc1[nH]ccc1C(=O)N[C@@H](c1nc(-c2ccncc2)no1)C(C)C
398249785	ZINC000390790954	ref	1.69	-37.86	1	212.293	0.278	2	2	2	C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1[NH2+]CC1(C)C
398249786	ZINC000390790954	high	0.16	-8.44	0	212.293	0.278	2	3	2	C[C@@H]1OCC[C@@H]1NC(=O)[C@H]1NCC1(C)C
178324936	ZINC000068677294	ref	8.96	-11.39	0	224.259	3.332	0	2	1	Cc1ccc(-c2ccc3c(c2)C(=O)OC3)cc1
178324947	ZINC000065341809	ref	7.13	-8.69	0	230.238	3.319	1	2	2	Cc1ccc(-c2ccc(O)c(C=O)c2)c(F)c1
178324950	ZINC000065341809	high	8.13	-50.83	-1	230.238	3.319	0	2	2	Cc1ccc(-c2ccc([O-])c(C=O)c2)c(F)c1
365650455	ZINC000623090554	mid	3.01	-42.21	1	308.422	1.21	2	4	9	CN(CCO)CC[N@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1
365650461	ZINC000623090554	mid	3.01	-42.06	1	308.422	1.21	2	4	9	CN(CCO)CC[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1
398249790	ZINC000097163227	ref	4.17	-15.33	0	223.301	2.48	2	3	3	Cc1ccc(NC(=O)N[C@H](C)CC#N)s1
214200970	ZINC000278510085	ref	9.36	-44.05	1	310.445	2.912	1	3	3	C[C@@H]1Cc2ccccc2[C@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1
178324959	ZINC000041662911	ref	9.21	-51.69	-1	248.228	3.638	0	2	2	Cc1ccc(-c2ccc(F)cc2F)c(C(=O)[O-])c1
398249794	ZINC000285186042	ref	3.93	-8.76	0	242.235	0.425	1	5	5	COC[C@@H](C)N(C)C(=O)c1cc([N+](=O)[O-])n[nH]1
178324971	ZINC000065340926	ref	6.41	-6.32	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(O)cc2F)c(Cl)c1
342602671	ZINC000617005675	high	1.31	-7.21	0	284.4	1.029	1	4	5	COC[C@]1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOC1
342602672	ZINC000590876231	ref	6.01	-20.99	0	287.425	1.561	0	3	4	C[C@@H](OCC1CC1)C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602673	ZINC000617005673	ref	4.28	-34.84	1	284.4	1.029	2	3	5	COC[C@@]1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOC1
342602674	ZINC000617005673	mid	3.26	-35.0	1	284.4	1.029	2	3	5	COC[C@@]1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOC1
342602675	ZINC000617005673	high	1.22	-8.07	0	284.4	1.029	1	4	5	COC[C@@]1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOC1
398249801	ZINC000097163226	ref	4.17	-15.35	0	223.301	2.48	2	3	3	Cc1ccc(NC(=O)N[C@@H](C)CC#N)s1
349539030	ZINC000602466068	mid	5.82	-42.51	1	228.336	1.664	1	3	9	CC[C@](C)(C[N@H+](CCC#N)CCOC)OC
398254080	ZINC000381518059	ref	3.45	-47.85	1	212.293	0.447	2	2	7	C=CCCOCC(=O)NC[C@H]1CCC[NH2+]1
349536035	ZINC000093300811	ref	2.19	-8.33	0	294.355	0.15	2	5	2	CCc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](O)C2)n(C)n1
349539034	ZINC000602465576	ref	4.63	-6.61	0	228.336	1.664	0	4	10	CCC[C@@H](CN(CCC#N)CCOC)OC
168365604	ZINC000368505650	ref	8.17	-15.81	0	346.39	3.181	1	5	3	Cn1cc(-c2cccc(NC(=O)[C@H]3CCC(=O)c4ccccc43)n2)cn1
168367868	ZINC000043334304	low	4.54	-108.9	2	194.278	1.764	2	1	3	C[C@@H]([NH3+])[C@H](c1ccco1)[NH+]1CCCC1
290624402	ZINC000493582884	ref	7.4	-62.08	-1	316.357	1.525	1	4	5	CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2CC(=O)[O-])cc1
214200972	ZINC000293782214	low	4.98	-45.74	1	354.414	0.969	0	6	5	CN(C)[C@H](C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)c1c[nH+]cn1C
282123734	ZINC000449156022	ref	5.55	-48.99	1	265.401	2.495	2	3	7	CC(C)[C@H](O)CC[NH2+]Cc1ccnn1C1CCCC1
222609519	ZINC000125792551	ref	5.41	-13.91	0	343.431	1.925	2	5	8	CCCNC(=O)CCC(=O)NC(C)(C)c1cn(-c2ccccc2)nn1
136230246	ZINC000295495506	ref	5.35	-14.3	0	235.274	2.129	1	2	8	C=CCCO[C@H](C)C(=O)NCCC(C)(F)F
185091506	ZINC000096081582	mid	7.23	-60.97	1	297.358	1.156	1	3	4	C=CCN1C(=O)CO[C@@H]2C[N@H+](Cc3cccc(C#N)c3)C[C@H]21
342089465	ZINC000621364419	mid	3.67	-35.5	1	265.357	1.958	2	4	4	C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
222609539	ZINC000125790581	ref	6.48	-48.07	1	348.422	1.89	2	2	2	C[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1
342089466	ZINC000621364419	mid	3.45	-37.69	1	265.357	1.958	2	4	4	C[C@@H](c1nc(C2CC2)no1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342089467	ZINC000046855963	ref	5.96	-46.73	1	297.424	1.21	2	4	6	Cc1csc(=O)n1CCC(=O)NCC[NH+]1CCCCC1
342089468	ZINC000046855963	high	3.57	-12.6	0	297.424	1.21	1	5	6	Cc1csc(=O)n1CCC(=O)NCCN1CCCCC1
342104011	ZINC000048721811	ref	4.47	-7.04	0	265.313	1.103	1	5	5	COC(=O)[C@@H](CC(C)C)NC(=O)c1ccnc(C)n1
342104012	ZINC000047675730	ref	1.63	-9.63	0	283.372	1.608	2	4	9	CCOCCCNC(=O)NC[C@@H](c1ccco1)N(C)C
342104013	ZINC000047675730	mid	4.23	-42.2	1	283.372	1.608	3	3	9	CCOCCCNC(=O)NC[C@@H](c1ccco1)[NH+](C)C
342104014	ZINC000047679712	ref	3.44	-12.21	0	293.367	1.887	3	3	5	C[C@H]1CCCC[C@H]1NC(=O)NCCNC(=O)c1ccco1
342104015	ZINC000041722702	ref	7.52	-37.33	0	262.334	1.608	1	4	4	N#Cc1ccc(C[NH2+][C@]2(C(=O)[O-])CCSC2)cc1
342104016	ZINC000609356506	ref	3.21	-14.8	0	295.339	1.549	1	5	5	CCOC(=O)CC1CCN(C(=O)NCc2cocn2)CC1
342104017	ZINC000625403366	ref	3.9	-17.22	0	291.438	1.464	0	4	2	C[C@H]1OCC[C@@H]1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2
214200973	ZINC000278510237	ref	2.68	-22.07	0	317.345	2.698	3	5	6	CC(C)(O)CONC(=O)Nc1cccc(Oc2ccccn2)c1
214200975	ZINC000278510237	high	1.5	-61.84	-1	317.345	2.698	2	6	6	CC(C)(O)CON=C([O-])Nc1cccc(Oc2ccccn2)c1
214200976	ZINC000278510237	high	2.22	-58.6	-1	317.345	2.698	2	5	6	CC(C)(O)CO[N-]C(=O)Nc1cccc(Oc2ccccn2)c1
214200979	ZINC000278510900	ref	10.74	-43.73	1	322.478	2.141	1	5	5	CCOc1ccnc(N2CCC[N@H+](C[C@H]3CCSC3)CC2)n1
342089469	ZINC000621364685	ref	0.83	-6.96	0	253.346	1.472	1	5	5	CCCc1nc(CN2CC[C@H](C)[C@@H](CO)C2)no1
342089470	ZINC000621364685	low	2.71	-31.5	1	253.346	1.472	2	4	5	CCCc1nc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)no1
398254081	ZINC000645420631	ref	1.45	-11.44	0	235.349	1.131	1	3	6	CC(C)NS(=O)(=O)CCC[C@@H]1CCOC1
342089471	ZINC000621364685	low	3.04	-31.72	1	253.346	1.472	2	4	5	CCCc1nc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)no1
342089472	ZINC000088679428	ref	6.94	-50.89	1	274.364	1.688	1	2	5	O=C1CCCN1Cc1ccccc1C[NH2+][C@H]1CCOC1
342089473	ZINC000088679428	high	5.73	-10.47	0	274.364	1.688	1	3	5	O=C1CCCN1Cc1ccccc1CN[C@H]1CCOC1
342089474	ZINC000600315918	ref	6.91	-37.81	1	256.415	1.73	2	2	4	CSC1(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1
342089475	ZINC000600315918	mid	7.09	-38.07	1	256.415	1.73	2	2	4	CSC1(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CC1
197610037	ZINC000290144682	ref	8.98	-9.35	0	291.354	3.444	0	4	4	Cc1cccc(C2(c3noc(Cc4cccnc4)n3)CC2)c1
412491681	ZINC000612118534	ref	2.41	-13.86	0	301.372	-0.57	1	8	5	COC[C@@H](OC)C(=O)N1CCN(c2nc(N)ns2)CC1
185386284	ZINC000096748117	ref	5.75	-16.45	0	310.423	2.201	3	4	4	Cc1ccc(NC(=S)NCCNC(=O)OC(C)(C)C)nc1
342089476	ZINC000600315757	ref	4.53	-17.63	0	292.404	1.69	2	3	7	NC(=O)[C@@H]1C[C@@H](NC(=O)CCSCc2ccccc2)C1
230239547	ZINC000356744440	ref	0.47	-9.58	0	284.356	-0.097	2	4	4	O=C(NCC[C@H]1CCCCO1)C(=O)N1CC[C@H](CO)C1
230239559	ZINC000356756476	ref	-1.04	-8.51	0	256.224	-0.029	1	4	5	O=C(CN1CCOCC1)NCCOC(F)(F)F
230239568	ZINC000356757022	ref	0.41	-25.11	0	265.191	-0.104	1	5	5	O=C(Cn1cccnc1=O)NCCOC(F)(F)F
230239574	ZINC000356739026	ref	1.35	-40.95	1	254.334	-0.358	4	2	4	C[C@H](NC(N)=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C
230239579	ZINC000356739026	mid	1.28	-40.03	1	254.334	-0.358	4	2	4	C[C@H](NC(N)=O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C
342089477	ZINC000600316735	ref	2.91	-16.93	0	258.387	1.288	2	3	7	CCCCS[C@@H](C)C(=O)N[C@@H]1C[C@@H](C(N)=O)C1
342089478	ZINC000600315488	ref	8.91	-45.59	1	298.427	1.812	2	3	4	C[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)C(=O)OC(C)(C)C
290624403	ZINC000492538919	ref	4.47	-9.93	0	277.368	2.035	1	4	4	CCc1nnc(C)cc1C(=O)NC[C@H]1CCC(C)(C)O1
214200974	ZINC000293788563	ref	5.63	-22.53	0	361.377	0.96	1	6	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1nnn(Cc2ccccc2F)c1C
214200978	ZINC000293783262	ref	3.37	-17.44	0	356.386	0.37	2	7	7	Cn1ncc(CCCNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)n1
343995667	ZINC000599276403	ref	4.17	-33.58	0	268.28	1.617	1	4	2	Cc1[nH+][n-]c2nnc(NC(=O)c3ccncc3)c-2c1C
343995669	ZINC000248598024	ref	5.07	-44.02	1	270.373	1.08	2	3	6	COC(=O)CCNC(=O)C[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C
349536037	ZINC000621501006	ref	7.71	-8.87	0	272.339	3.006	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@@H]1C1CCC1
214200982	ZINC000293790404	ref	1.32	-17.45	0	351.359	0.369	3	6	7	C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC[C@H]1CC[C@@H](CO)O1
343995672	ZINC000599276638	ref	4.72	-8.18	0	287.157	1.839	0	4	5	CCOC(=O)CN(C)Cc1ccncc1Br
343995674	ZINC000599276561	ref	4.23	-32.06	0	268.28	1.617	1	4	2	Cc1[nH+][n-]c2nnc(NC(=O)c3ccccn3)c-2c1C
343995676	ZINC000599275303	ref	3.87	-12.37	0	283.459	1.451	0	3	7	CCC(C)(C)CS(=O)(=O)N(C)[C@H](C)C[S@](C)=O
343995678	ZINC000248591557	ref	1.02	-6.6	0	256.346	1.18	3	3	7	C=CC[C@H](CO)NC(=O)N[C@@H](CC)[C@@H]1CCCO1
342089479	ZINC000600315488	mid	8.82	-46.55	1	298.427	1.812	2	3	4	C[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(=O)OC(C)(C)C
365650462	ZINC000173005345	ref	5.1	-13.81	0	299.417	1.555	0	4	2	Cc1ccccc1C(=O)N1CCSC[C@H]1S(C)(=O)=O
365650471	ZINC000173010983	ref	5.9	-13.79	0	282.731	1.966	0	5	4	Cc1noc(Cl)c1CCC(=O)N(C)c1cnn(C)c1
398249784	ZINC000381277995	mid	4.04	-179.56	3	211.353	0.657	3	0	4	[NH3+]CC[C@@H]1CCC[N@@H+](C[C@@H]2CC[NH2+]C2)C1
398249787	ZINC000381277995	high	1.83	-90.54	2	211.353	0.657	2	1	4	[NH3+]CC[C@@H]1CCCN(C[C@@H]2CC[NH2+]C2)C1
178324945	ZINC000082827156	ref	6.03	-48.47	1	292.18	2.971	1	2	1	[NH3+][C@@H]1CCCc2c1cnn2-c1ccccc1Br
342089480	ZINC000046855663	ref	7.63	-47.66	1	274.364	1.592	2	2	4	O=C(NCC[NH+]1CCCCC1)[C@@H]1Cc2ccccc2O1
365650478	ZINC000173006536	ref	5.14	-13.95	0	261.293	1.889	0	2	4	CN(Cc1ccc(F)c(F)c1)S(=O)(=O)C1CC1
365650490	ZINC000173012122	ref	2.11	-20.71	0	294.351	1.479	2	4	9	CCCCOc1ccc(C(=O)NCCC(N)=O)cc1OC
342089481	ZINC000046855663	high	5.24	-12.47	0	274.364	1.592	1	3	4	O=C(NCCN1CCCCC1)[C@@H]1Cc2ccccc2O1
365650502	ZINC000173002790	ref	1.23	-15.32	0	268.338	1.463	2	3	4	NS(=O)(=O)c1ccc(NC(=O)CC2CCC2)cc1
342089482	ZINC000046860301	ref	3.42	-8.61	0	264.373	1.264	2	3	6	C[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1cccn1
214200977	ZINC000053844873	ref	5.13	-9.87	0	337.439	1.609	0	4	7	COCCN1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1
214200983	ZINC000053844873	mid	7.4	-36.84	1	337.439	1.609	1	3	7	COCC[NH+]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)cc2)CC1
214200986	ZINC000053832446	ref	8.43	-38.02	1	328.147	4.061	1	0	5	CC[NH2+][C@@H](Cc1cc(Br)ccc1F)CC(F)(F)F
365650464	ZINC000625120951	mid	11.34	-35.39	1	322.408	2.406	1	2	5	C[N@@H+](CC#CCN1C(=O)c2ccccc2C1=O)C(C1CC1)C1CC1
365650470	ZINC000625120105	ref	6.13	-19.41	0	306.406	2.124	1	3	9	Cc1ccc(OCCCC(=O)N(CC(N)=O)CC(C)C)cc1
365650477	ZINC000625121024	ref	2.34	-11.29	0	320.437	2.002	1	5	7	CCC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2cncc(OC)n2)C1
342089483	ZINC000046860301	mid	5.61	-40.73	1	264.373	1.264	2	3	6	C[C@H]1CCCC[N@H+]1CCNC(=O)CCn1cccn1
178324955	ZINC000082827085	ref	6.21	-53.58	1	270.361	2.818	1	4	1	[NH3+][C@H]1CCCc2c1cnn2-c1nc2ccccc2s1
214200995	ZINC000053845810	ref	6.44	-15.48	0	335.492	2.017	1	3	5	O=C(CN1CCC(C(=O)N2CCCC2)CC1)NCC1CCCCC1
342089484	ZINC000046860301	high	3.42	-8.61	0	264.373	1.264	1	4	6	C[C@H]1CCCCN1CCNC(=O)CCn1cccn1
349536038	ZINC000621247277	low	5.12	-32.84	1	271.158	2.447	1	2	4	COc1cc(C[N@@H+](C)C2CC2)c(Br)cn1
349536042	ZINC000621244705	ref	4.49	-8.88	0	266.316	2.432	2	2	5	COc1ccc(F)c(CNC(=O)N[C@H](C)C2CC2)c1
349536050	ZINC000621244453	ref	6.79	-9.35	0	298.39	2.297	1	3	2	Cc1nc(C)c(C(=O)N2CCN(c3ccccc3C)CC2)[nH]1
349536055	ZINC000621244147	ref	4.08	-9.25	0	254.305	2.432	2	2	5	CC[C@@H](C)NC(=O)NCc1cc(OC)ccc1F
342089485	ZINC000600315753	ref	3.66	-18.48	0	291.307	1.078	2	4	5	C[C@H](C(=O)N[C@@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1
342089486	ZINC000600315490	ref	8.73	-45.48	1	298.427	1.812	2	3	4	C[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(=O)OC(C)(C)C
342089487	ZINC000600315490	mid	8.91	-45.55	1	298.427	1.812	2	3	4	C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(=O)OC(C)(C)C
214200997	ZINC000053845810	mid	8.56	-48.79	1	335.492	2.017	2	2	5	O=C(C[NH+]1CCC(C(=O)N2CCCC2)CC1)NCC1CCCCC1
214201001	ZINC000053841598	ref	12.03	-22.38	0	334.445	2.88	0	7	5	CCCCc1c(C)nc2nc(S[C@@H]3C[C@@H](C)OC3=O)nn2c1C
136230247	ZINC000295631932	ref	7.6	-37.45	1	244.338	1.626	2	1	6	C#Cc1ccc(CNC(=O)C[NH+](CC)CC)cc1
349536058	ZINC000621244391	ref	4.0	-14.92	0	258.272	2.07	2	3	5	CCn1cc(NC(=O)NCC[C@@H]2CC2(F)F)cn1
214200980	ZINC000278510900	mid	10.74	-43.9	1	322.478	2.141	1	5	5	CCOc1ccnc(N2CCC[N@@H+](C[C@H]3CCSC3)CC2)n1
214200984	ZINC000278510582	ref	6.09	-9.3	0	311.385	3.013	2	4	6	CNc1ccc(C(=O)N[C@H](c2ccc(OC)cc2)C2CC2)cn1
343995671	ZINC000079963220	ref	7.7	-7.95	0	276.38	2.493	0	3	8	CCC[C@@H]1C[C@@H]1C(=O)N(CCOC)Cc1cccnc1
346818989	ZINC000589955106	ref	8.41	-14.41	0	289.423	3.332	1	2	3	C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H](c2ncc[nH]2)C1
365650466	ZINC000336563458	mid	4.9	-9.49	0	289.37	2.157	1	2	3	CC(C)N1CCN(C(=O)NC[C@@H]2CCC(F)(F)C2)CC1
214200988	ZINC000278511267	ref	8.22	-46.03	1	304.503	3.382	1	2	5	C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CCN1Cc1ccccc1
214200989	ZINC000278511267	mid	10.57	-116.23	2	304.503	3.382	2	1	5	C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CC[N@@H+]1Cc1ccccc1
168367871	ZINC000043336346	ref	3.71	-43.3	1	192.222	0.808	1	4	3	C[C@@H]([NH3+])[C@H](c1ccco1)n1cncn1
178324952	ZINC000237676592	ref	7.05	-64.24	-1	369.377	1.508	1	7	6	Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@H](Cc1ccccc1)C(=O)[O-]
178324954	ZINC000237662358	ref	4.29	-13.12	0	359.47	1.907	3	4	5	Cc1ccc(NC(=O)C2(CNC(=O)[C@H]3COCCN3)CCCC2)cc1C
342089488	ZINC000121778070	ref	3.97	-43.91	1	256.39	1.552	2	2	7	CC(C)[NH2+]CCC(=O)NC[C@@H]1CCO[C@@H]1C(C)C
214200991	ZINC000278511267	mid	11.07	-122.46	2	304.503	3.382	2	1	5	C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCSC2)CC[N@H+]1Cc1ccccc1
197610055	ZINC000163084974	ref	6.93	-22.76	0	300.322	2.035	1	7	3	Cc1noc2nc(C(C)C)cc(C(=O)Nc3nncn3C)c12
214200993	ZINC000278510564	ref	10.2	-42.31	1	308.425	2.561	2	1	7	C#CCC(CC#C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1
214200998	ZINC000278510989	ref	3.12	-16.89	0	300.43	2.192	2	5	5	CSc1ccsc1C(=O)NCCc1csc(=O)[nH]1
214201002	ZINC000278509893	ref	6.56	-5.94	0	303.406	2.8	1	5	4	C[C@@H]1CN(c2ccc(NC[C@H]3CCC=CO3)cn2)C[C@@H](C)O1
214201004	ZINC000278509893	low	6.89	-29.69	1	303.406	2.8	1	4	4	C[C@@H]1CN(c2ccc(NC[C@H]3CCC=CO3)c[nH+]2)C[C@@H](C)O1
214201007	ZINC000278509598	ref	2.68	-13.86	0	312.782	2.83	2	5	4	COc1nnc(NC(=O)NCc2ccc(Cl)c(C)c2)s1
342089489	ZINC000600315566	ref	4.06	-21.34	0	285.347	1.454	2	3	6	N#CC[C@H](CC(=O)N[C@@H]1C[C@@H](C(N)=O)C1)c1ccccc1
342089490	ZINC000600315492	ref	8.73	-45.55	1	298.427	1.812	2	3	4	C[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)C(=O)OC(C)(C)C
342089491	ZINC000600315492	mid	8.91	-45.58	1	298.427	1.812	2	3	4	C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)C(=O)OC(C)(C)C
365650467	ZINC000623090554	high	0.69	-6.93	0	308.422	1.21	1	5	9	CN(CCO)CCN(C)Cc1ccc(O[C@@H]2CCOC2)cc1
178324957	ZINC000237662358	mid	5.72	-47.92	1	359.47	1.907	3	3	5	Cc1ccc(NC(=O)C2(CNC(=O)[C@H]3COCC[NH2+]3)CCCC2)cc1C
178324961	ZINC000237676599	ref	4.51	-48.55	1	350.85	1.538	4	2	5	O=C(CNC(=O)NCc1ccc(Cl)cc1)NC1C[C@@H]2CC[C@H](C1)[NH2+]2
365650472	ZINC000623089773	ref	4.54	-45.71	1	301.385	1.926	1	4	7	CC(C)n1cc(C[NH2+]CC2CCN(CC(F)F)CC2)nn1
365650476	ZINC000623089773	low	7.19	-103.34	2	301.385	1.926	2	3	7	CC(C)n1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)nn1
365650484	ZINC000623089773	high	3.29	-11.04	0	301.385	1.926	1	5	7	CC(C)n1cc(CNCC2CCN(CC(F)F)CC2)nn1
365650491	ZINC000623090953	ref	2.37	-38.18	1	318.364	1.653	2	4	10	COc1ccc(OC(F)F)c(CN(C)CC[N@H+](C)CCO)c1
365650499	ZINC000623090953	mid	2.36	-38.13	1	318.364	1.653	2	4	10	COc1ccc(OC(F)F)c(CN(C)CC[N@@H+](C)CCO)c1
365650504	ZINC000623090953	high	0.03	-7.93	0	318.364	1.653	1	5	10	COc1ccc(OC(F)F)c(CN(C)CCN(C)CCO)c1
178324963	ZINC000237676517	ref	7.08	-69.95	-1	369.377	1.508	1	7	6	Cc1oc2ncn(C)c(=O)c2c1C(=O)NC[C@@H](Cc1ccccc1)C(=O)[O-]
178324967	ZINC000237666336	ref	7.15	-54.81	1	361.486	1.796	2	3	8	C[C@H](CC(=O)NCc1cccc(OCC(=O)N(C)C)c1)C1CC[NH2+]CC1
197610053	ZINC000290144542	ref	4.09	-9.29	0	261.306	2.994	0	6	3	Cc1coc(C)c1-c1nc(Cc2cscn2)no1
178324969	ZINC000237664642	ref	5.01	-52.67	1	365.499	1.641	2	4	7	Cc1cc(C(=O)CCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)s1
178324973	ZINC000237671279	ref	5.49	-11.76	0	355.36	1.486	1	2	3	O=C1C[C@H](C(=O)N2CC[NH2+]CC2)CN1Cc1cccc(C(F)(F)F)c1
365650510	ZINC000623090281	ref	5.29	-42.64	1	320.412	1.676	2	4	8	Cc1nn(-c2cccc(F)c2)cc1CN(C)CC[N@H+](C)CCO
365650519	ZINC000623090281	mid	5.29	-42.28	1	320.412	1.676	2	4	8	Cc1nn(-c2cccc(F)c2)cc1CN(C)CC[N@@H+](C)CCO
178324976	ZINC000237671279	mid	5.49	-11.76	0	355.36	1.486	1	3	3	O=C1C[C@H](C(=O)N2CCNCC2)CN1Cc1cccc(C(F)(F)F)c1
365650523	ZINC000623090281	high	2.96	-10.45	0	320.412	1.676	1	5	8	Cc1nn(-c2cccc(F)c2)cc1CN(C)CCN(C)CCO
365650531	ZINC000623090643	ref	3.91	-39.73	1	318.421	1.237	2	5	9	COc1ccc(-n2cc(CN(C)CC[N@H+](C)CCO)cn2)cc1
349539036	ZINC000602465576	low	5.96	-45.45	1	228.336	1.664	1	3	10	CCC[C@@H](C[N@@H+](CCC#N)CCOC)OC
342089492	ZINC000079996758	ref	6.49	-10.86	0	292.301	1.8	0	2	3	O=C(CCC(F)(F)F)N1CCN(C(=O)C2CCC2)CC1
342089493	ZINC000600316013	ref	3.72	-18.36	0	285.347	1.481	2	3	4	CC(C)(C#N)c1ccc(C(=O)N[C@@H]2C[C@@H](C(N)=O)C2)cc1
178324970	ZINC000082827159	ref	5.8	-49.56	1	292.18	2.971	1	2	1	[NH3+][C@H]1CCCc2c1cnn2-c1cccc(Br)c1
342089494	ZINC000145987822	ref	1.42	-10.5	0	259.265	1.005	2	6	3	COC(=O)c1nc(-c2cccc(CO)c2)cnc1N
342089495	ZINC000110433889	ref	10.5	-39.39	-1	283.247	1.496	0	6	3	O=c1c([N+](=O)[O-])c(/C=C/c2ccccc2)nc2nc[n-]n12
342089496	ZINC000110433889	low	10.67	-23.3	0	283.247	1.496	1	6	3	O=c1c([N+](=O)[O-])c(/C=C/c2ccccc2)nc2nc[nH]n12
214200981	ZINC000337660998	ref	5.04	-6.9	0	278.358	3.362	0	6	5	c1csc(Cc2noc(COc3ccsc3)n2)c1
342089497	ZINC000121778224	ref	4.16	-44.33	1	256.39	1.552	2	2	7	CC(C)[NH2+]CCC(=O)NC[C@@H]1CCO[C@H]1C(C)C
214200994	ZINC000337660042	ref	10.29	-11.86	0	280.416	2.267	0	5	6	CCOC[C@H]1CCCN(c2nnc(CC(C)C)n2C)C1
214200999	ZINC000337660816	ref	3.87	-6.37	0	253.367	2.372	2	3	5	CC(C)c1ccsc1C(=O)NC[C@H](O)C1CC1
290624404	ZINC000492538676	ref	4.17	-49.56	-1	285.34	2.083	0	3	5	CC[C@@H](C)S(=O)(=O)[N-]C(=O)/C=C\c1ccc(F)cc1
342089498	ZINC000046855709	ref	6.97	-45.0	1	292.427	1.572	2	3	6	Cc1nn(C)c(C)c1CCC(=O)NCC[NH+]1CCCCC1
342089499	ZINC000046855709	high	4.58	-11.1	0	292.427	1.572	1	4	6	Cc1nn(C)c(C)c1CCC(=O)NCCN1CCCCC1
290624407	ZINC000492538749	ref	8.9	-11.2	0	296.374	2.291	0	4	4	Cc1ccncc1/C=C\C(=O)N1CCC[C@@H]1Cn1ccnc1
290624409	ZINC000492538749	low	9.41	-25.45	1	296.374	2.291	0	3	4	Cc1ccncc1/C=C\C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1
214201014	ZINC000337657505	ref	-1.21	-10.84	0	254.311	0.348	3	4	5	NC(=O)c1ccc(C(=O)NC[C@H](O)C2CC2)s1
214201020	ZINC000337659769	ref	7.38	-8.2	0	291.42	3.325	1	5	5	COCC[C@@H](C)Nc1nc(C)nc2sc3c(c12)CCC3
214201026	ZINC000337658136	ref	1.17	-14.72	0	292.213	0.364	2	5	4	COC(=O)[C@H](O)CNC(=O)c1ccncc1C(F)(F)F
290624410	ZINC000492537890	ref	7.18	-9.85	0	271.32	2.358	0	4	4	Cc1ccc(/C=C/C(=O)N(C)Cc2cc(C)on2)nc1
365650474	ZINC000336563353	ref	1.24	-45.53	1	251.374	2.456	1	3	2	C[C@H](c1ncc(C(C)(C)C)o1)N1CCC([NH3+])CC1
323005498	ZINC000127648596	ref	6.89	-32.82	1	226.364	1.831	1	1	2	C[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H](C)C1
214201037	ZINC000337660166	ref	2.84	-14.09	0	283.372	0.722	2	3	3	CC(C)C(=O)NC1CCN(C(=O)N[C@@H]2CCOC2)CC1
197610054	ZINC000290145606	ref	2.64	-7.53	0	270.304	3.087	2	4	4	C[C@H](O)c1ncc(CNc2ccc(F)c(F)c2)s1
214200985	ZINC000293785585	ref	4.32	-17.69	0	359.474	0.623	2	5	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C)CN2CCN(c3ccccn3)CC2)C1
342602676	ZINC000590876927	ref	3.76	-11.41	0	295.31	1.505	2	4	6	COC(=O)c1ccc(C(=O)NCCC2(CO)CC2)cc1F
214200987	ZINC000293785585	mid	6.67	-61.62	1	359.474	0.623	3	4	5	C[C@@H]1CC(=O)N[C@H](C(=O)N[C@@H](C)C[NH+]2CCN(c3ccccn3)CC2)C1
365650479	ZINC000336563451	ref	6.74	-36.16	1	259.397	2.306	1	2	2	Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1
214200990	ZINC000293787108	ref	1.64	-53.16	-1	355.416	0.77	2	5	8	CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)[N-]OCC2CC2)cc1
178324974	ZINC000065340926	high	7.17	-43.82	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc([O-])cc2F)c(Cl)c1
214200992	ZINC000293791546	ref	5.79	-25.07	0	359.426	0.793	1	4	4	CC(=O)NC[C@H]1CN(C(=O)[C@H]2CCCN(c3ccccc3)C2=O)CCO1
214200996	ZINC000293789391	ref	4.65	-30.29	0	352.412	0.66	1	5	4	C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O1
197610058	ZINC000290145222	ref	5.42	-36.7	1	297.826	3.168	2	2	7	COC[C@H]([NH2+][C@H](CO)C1CCCC1)c1ccc(Cl)cc1
214201000	ZINC000293778843	ref	0.38	-22.98	0	367.431	0.094	2	7	8	CNS(=O)(=O)c1cc(C(=O)NCCCc2cnn(C)n2)ccc1OC
197610059	ZINC000290145222	high	4.37	-3.11	0	297.826	3.168	2	3	7	COC[C@H](N[C@H](CO)C1CCCC1)c1ccc(Cl)cc1
214201003	ZINC000293788536	ref	4.1	-12.3	0	361.377	0.895	1	6	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1ccc(F)c(C)c1)C2
342602677	ZINC000617005620	ref	2.49	-46.83	1	283.416	1.123	3	2	6	CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602678	ZINC000617005620	mid	2.83	-47.65	1	283.416	1.123	3	2	6	CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
349539039	ZINC000602465576	low	6.11	-44.66	1	228.336	1.664	1	3	10	CCC[C@@H](C[N@H+](CCC#N)CCOC)OC
342602679	ZINC000617005620	high	-0.06	-16.27	0	283.416	1.123	2	3	6	CC(C)C[C@H](C(N)=O)C(=O)NC[C@@H]1CCN1C(C)(C)C
342602680	ZINC000590876839	ref	5.66	-12.3	0	295.404	1.694	1	4	5	COc1cccc2c1CN(C(=O)[C@H](O)CCSC)CC2
214201008	ZINC000293781044	ref	7.78	-17.56	0	373.457	0.502	0	7	6	CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)CCn1ncn(C)c1=O
342602681	ZINC000617005595	ref	3.9	-40.55	1	290.407	1.751	3	2	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CO)c1ccccc1
342602682	ZINC000617005595	mid	4.58	-41.01	1	290.407	1.751	3	2	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CO)c1ccccc1
365650483	ZINC000625121024	mid	5.11	-41.51	1	320.437	2.002	2	4	7	CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2cncc(OC)n2)C1
365650488	ZINC000625121024	mid	4.69	-39.83	1	320.437	2.002	2	4	7	CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1
365650493	ZINC000625120419	ref	9.41	-84.43	2	323.525	2.292	2	2	8	CCO[C@@H](C[NH+]1CCN(CC[N@@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
230762912	ZINC000450599384	ref	9.1	-11.65	0	300.406	1.87	0	4	3	Cc1nccc(N2CCN(C(=O)C[C@@H]3CC[C@@H]4C[C@H]34)CC2)n1
230762914	ZINC000450599384	low	9.55	-39.64	1	300.406	1.87	0	3	3	Cc1nc(N2CCN(C(=O)C[C@@H]3CC[C@@H]4C[C@H]34)CC2)cc[nH+]1
365650497	ZINC000625120419	mid	8.85	-85.61	2	323.525	2.292	2	2	8	CCO[C@@H](C[NH+]1CCN(CC[N@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
342602683	ZINC000617005595	high	2.55	-9.48	0	290.407	1.751	2	3	5	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H](CO)c1ccccc1
214201006	ZINC000053824301	ref	11.06	-11.54	0	347.488	2.87	0	6	4	Cc1cc2nnc(SCC(=O)N(C)[C@@H]3CCCC[C@H]3C)n2c(C)n1
342602684	ZINC000590876688	ref	7.24	-22.23	0	293.388	1.902	0	4	5	COc1cccc2c1CN(C(=O)CSCC(C)=O)CC2
342602685	ZINC000590877563	ref	6.06	-9.01	0	291.351	1.555	1	5	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)nnc1C
365650503	ZINC000625120419	mid	7.0	-30.54	1	323.525	2.292	1	3	8	CCO[C@@H](CN1CCN(CC[N@@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
282123737	ZINC000248983069	ref	4.71	-47.92	1	319.405	1.105	4	3	6	C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@H]1CO
342602686	ZINC000617005455	ref	5.17	-40.14	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1cccn1
365650507	ZINC000625120419	mid	6.44	-31.61	1	323.525	2.292	1	3	8	CCO[C@@H](CN1CCN(CC[N@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
365650511	ZINC000625119892	ref	5.74	-9.03	0	301.452	2.444	1	3	7	CCO[C@H](CS(=O)(=O)N[C@H]1CC12CCCCC2)C1CC1
365650516	ZINC000625121126	ref	2.9	-9.78	0	303.346	2.204	1	3	5	CC[C@@H](CC(F)(F)F)NS(=O)(=O)[C@@H]1COC(C)(C)C1
342602687	ZINC000617005455	mid	6.41	-39.24	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1cccn1
178324979	ZINC000065355858	ref	4.62	-5.78	0	219.671	3.416	1	2	1	Cc1ccc(-c2ccc(O)cn2)cc1Cl
342602688	ZINC000617005455	high	3.39	-9.37	0	278.4	1.823	1	4	5	C[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)n1cccn1
365650518	ZINC000625120925	ref	5.98	-12.73	0	319.43	2.249	1	4	3	Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cnc(C)n1C)[C@@H](C)C2
290624405	ZINC000493631372	ref	8.31	-73.66	-1	330.384	1.771	1	4	4	CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@H](C)C[C@@H]2C(=O)[O-])cc1
282123738	ZINC000449156022	high	3.97	-5.64	0	265.401	2.495	2	4	7	CC(C)[C@H](O)CCNCc1ccnn1C1CCCC1
282123741	ZINC000449156717	ref	6.93	-45.9	1	292.382	2.449	2	1	3	Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21
365650485	ZINC000336563451	mid	6.94	-35.89	1	259.397	2.306	1	2	2	Cc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1
365650489	ZINC000336563451	low	8.65	-102.86	2	259.397	2.306	2	1	2	Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cn1
306234758	ZINC000557930838	ref	0.27	-48.2	1	336.417	1.007	3	6	6	O=C(C[NH2+][C@H](CO)C1CCOCC1)Nc1cccc2nsnc12
306234759	ZINC000557930838	high	-1.1	-11.46	0	336.417	1.007	3	7	6	O=C(CN[C@H](CO)C1CCOCC1)Nc1cccc2nsnc12
365650492	ZINC000336563451	low	8.86	-102.43	2	259.397	2.306	2	1	2	Cc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1
365650496	ZINC000336563451	low	8.94	-102.81	2	259.397	2.306	2	1	2	Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1
178324980	ZINC000237677594	ref	3.76	-61.18	1	365.499	1.782	2	3	4	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N[C@H]1CCCC[C@@H]1C[NH3+]
178324982	ZINC000237669869	ref	4.95	-55.07	1	371.403	1.774	2	3	4	O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1C[NH2+]CCO1
365650500	ZINC000336563451	low	9.12	-105.81	2	259.397	2.306	2	1	2	Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cn1
365650509	ZINC000336563364	ref	7.07	-11.65	0	265.382	2.011	1	3	2	O=C([C@@H]1CCCS1)N1CCC(c2c[nH]cn2)CC1
342602689	ZINC000617005424	ref	3.27	-40.27	1	270.417	1.774	3	2	6	CCC(CC)(CO)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
178324986	ZINC000237669869	mid	7.31	-109.8	2	371.403	1.774	3	2	4	O=C(NC1CC[NH+](Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1C[NH2+]CCO1
349536041	ZINC000093293733	ref	5.04	-45.02	1	280.376	0.346	3	4	5	C[C@@H]1CCC[N@H+](CCNC(=O)NCc2ncn(C)n2)C1
342602690	ZINC000617005424	mid	2.71	-39.74	1	270.417	1.774	3	2	6	CCC(CC)(CO)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
136230248	ZINC000295631932	high	5.53	-8.23	0	244.338	1.626	1	2	6	C#Cc1ccc(CNC(=O)CN(CC)CC)cc1
136230249	ZINC000295623305	ref	5.07	-9.44	0	247.338	2.437	2	2	5	C=CC(C)(C)C(=O)N[C@@H](C)[C@@H](O)c1ccccc1
136230250	ZINC000295482341	ref	5.58	-11.81	0	245.326	1.607	1	3	2	C#C[C@H](NC(=O)c1cc2n(n1)CCC2)C(C)(C)C
136230251	ZINC000295481890	ref	8.96	-45.59	1	242.322	1.291	1	2	1	CC#CC[N@@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
136230252	ZINC000295481890	mid	7.86	-45.94	1	242.322	1.291	1	2	1	CC#CC[N@H+]1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
365650514	ZINC000336563364	mid	7.04	-13.48	0	265.382	2.011	1	3	2	O=C([C@@H]1CCCS1)N1CCC(c2cnc[nH]2)CC1
136230253	ZINC000295481890	mid	6.83	-13.79	0	242.322	1.291	0	3	1	CC#CCN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
398249788	ZINC000651466262	ref	5.94	-41.16	1	264.398	3.08	1	4	5	CCn1cc([C@@H](C)[NH2+][C@H](C)c2cnc(C)s2)cn1
178324988	ZINC000011584339	ref	7.88	-7.58	0	226.275	3.24	0	2	4	Cc1ccc(-c2ccc(OCC=O)cc2)cc1
398249791	ZINC000651466262	mid	4.96	-7.82	0	264.398	3.08	1	5	5	CCn1cc([C@@H](C)N[C@H](C)c2cnc(C)s2)cn1
214201011	ZINC000278510963	ref	10.59	-53.81	1	312.421	2.291	1	5	4	C=Cn1cc(C[NH+]2CCC(c3nnc4n3CCCC4)CC2)cn1
342602691	ZINC000617005424	high	0.67	-10.93	0	270.417	1.774	2	3	6	CCC(CC)(CO)C(=O)NC[C@H]1CCN1C(C)(C)C
398249793	ZINC000651467819	ref	6.54	-42.83	1	285.338	3.029	1	3	4	C[C@H]1C[C@@H]([NH2+]C2CCC(OC(F)F)CC2)c2nccn21
178325001	ZINC000065340414	ref	7.04	-5.09	0	232.71	4.329	1	1	1	Cc1ccc(-c2ccc(O)c(C)c2)c(Cl)c1
398249795	ZINC000651467819	high	5.48	-10.76	0	285.338	3.029	1	4	4	C[C@H]1C[C@@H](NC2CCC(OC(F)F)CC2)c2nccn21
398249798	ZINC000651465664	ref	4.62	-4.97	0	299.212	3.117	2	3	5	Cc1cnc(NCCC2(CO)CCC2)c(Br)c1
136230254	ZINC000295465446	ref	6.49	-8.71	0	225.357	2.0	0	2	3	C#CCC(C)(C)C(=O)N1CC[C@H](SC)C1
136230255	ZINC000295490105	ref	5.91	-10.99	0	248.33	1.901	2	3	6	C=C[C@@](C)(CC)C(=O)NCc1nnc(C2CC2)[nH]1
136230256	ZINC000295490105	mid	5.53	-9.21	0	248.33	1.901	2	3	6	C=C[C@@](C)(CC)C(=O)NCc1n[nH]c(C2CC2)n1
136230257	ZINC000295475783	ref	4.99	-8.82	0	229.295	1.664	1	2	3	C=C[C@](C)(O)CC(=O)N1CCC[C@@](C)(F)C1
136230258	ZINC000295634766	ref	4.5	-7.48	0	217.272	1.66	1	3	4	C=C(C)CNC(=O)c1cnc(C2CC2)nc1
342602692	ZINC000590878218	ref	7.25	-10.19	0	293.367	1.673	1	5	5	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(C)nn1CC
398254083	ZINC000077178146	ref	7.06	-9.2	0	244.338	3.534	2	1	2	Cc1ccc(NC(=O)N[C@@H]2CC=CCC2)c(C)c1
342602693	ZINC000617005643	ref	5.18	-37.78	1	280.412	1.957	2	2	4	C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602694	ZINC000617005643	mid	6.3	-37.52	1	280.412	1.957	2	2	4	C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
192340740	ZINC000421453937	ref	8.45	-7.97	0	243.35	2.926	1	1	5	O=C(NCCCc1ccccc1)[C@]12CCC[C@H]1C2
178325027	ZINC000065340780	ref	5.99	-7.29	0	220.218	3.646	1	1	1	Cc1ccc(-c2ccc(O)cc2F)cc1F
136230259	ZINC000295465818	ref	6.78	-9.73	0	225.357	2.046	1	2	4	C#C[C@H](NC(=O)CSC1CC1)C(C)(C)C
178325032	ZINC000065340780	high	6.76	-42.32	-1	220.218	3.646	0	1	1	Cc1ccc(-c2ccc([O-])cc2F)cc1F
342602695	ZINC000617005643	high	3.29	-6.94	0	280.412	1.957	1	3	4	C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCN1C(C)(C)C
342602696	ZINC000590876018	ref	3.44	-13.27	0	286.441	1.23	0	3	1	CN1CCCC[C@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602697	ZINC000590876018	low	5.64	-44.07	1	286.441	1.23	1	2	1	C[N@@H+]1CCCC[C@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602698	ZINC000590876018	low	5.21	-46.02	1	286.441	1.23	1	2	1	C[N@H+]1CCCC[C@H]1C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602699	ZINC000590876880	ref	7.38	-12.16	0	289.331	1.389	0	4	3	COC(=O)[C@H]1C[C@@H]1C(=O)N1CCc2cccc(OC)c2C1
342602700	ZINC000590876687	ref	7.13	-15.37	0	291.347	1.779	0	4	4	CC[C@H](C(=O)OC)C(=O)N1CCc2cccc(OC)c2C1
342602701	ZINC000617005560	ref	6.19	-35.45	1	264.373	1.506	2	3	4	CCn1cnc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1
342602702	ZINC000617005560	mid	7.45	-34.96	1	264.373	1.506	2	3	4	CCn1cnc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1
342602703	ZINC000617005560	high	4.43	-10.51	0	264.373	1.506	1	4	4	CCn1cnc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1
342602704	ZINC000617005747	ref	5.41	-40.25	1	280.412	1.79	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2(C)C
185091508	ZINC000096081136	ref	3.25	-14.74	0	250.323	0.78	1	3	2	O=C1C[C@@H]2[C@H](CCN2C(=O)Cc2cccs2)N1
282123739	ZINC000263851196	ref	5.69	-13.18	0	341.234	2.155	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(Br)s1)CC2
342602705	ZINC000617005747	mid	5.97	-40.43	1	280.412	1.79	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2(C)C
342602706	ZINC000617005747	high	3.1	-10.21	0	280.412	1.79	1	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2(C)C
342602707	ZINC000590878262	ref	4.84	-18.78	0	278.308	1.249	2	4	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc[nH]c1=O
342602708	ZINC000590876232	ref	5.91	-20.95	0	287.425	1.561	0	3	4	C[C@H](OCC1CC1)C(=O)N1CC[S@](=O)C(C)(C)CC1
342602709	ZINC000617005481	ref	5.91	-35.41	1	268.401	1.792	2	2	6	COCC1(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1
214201013	ZINC000293781044	low	9.8	-48.19	1	373.457	0.502	1	6	6	CN(C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1)C(=O)CCn1ncn(C)c1=O
342602710	ZINC000617005481	mid	4.95	-35.85	1	268.401	1.792	2	2	6	COCC1(CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1
342602711	ZINC000617005481	high	3.01	-7.18	0	268.401	1.792	1	3	6	COCC1(CC(=O)NC[C@H]2CCN2C(C)(C)C)CC1
342602712	ZINC000617005373	ref	5.29	-39.8	1	297.443	1.639	2	3	5	CON1CCC(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1
185091514	ZINC000096081287	ref	8.32	-55.22	1	271.364	1.667	1	2	4	O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccncc2)N1CC1CC1
342602713	ZINC000617005373	mid	4.16	-39.69	1	297.443	1.639	2	3	5	CON1CCC(CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1
398249789	ZINC000381289173	ref	5.85	-94.33	2	226.364	1.487	2	1	3	CC1(C)C[N@H+](CC[C@@H]2CC[NH2+]C2)CCCO1
398249792	ZINC000381289173	mid	5.54	-93.29	2	226.364	1.487	2	1	3	CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCCO1
342089500	ZINC000600316736	ref	2.9	-16.67	0	258.387	1.288	2	3	7	CCCCS[C@H](C)C(=O)N[C@@H]1C[C@@H](C(N)=O)C1
342089501	ZINC000621364682	ref	0.61	-6.98	0	253.346	1.472	1	5	5	CCCc1nc(CN2CC[C@@H](C)[C@@H](CO)C2)no1
342089502	ZINC000621364682	low	3.25	-31.67	1	253.346	1.472	2	4	5	CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)no1
214201015	ZINC000053829685	ref	9.29	-46.41	1	328.25	4.461	1	1	4	C[NH2+][C@@H](Cc1ccc(Br)s1)c1ccc(F)c(C)c1
342089503	ZINC000621364682	low	2.83	-31.01	1	253.346	1.472	2	4	5	CCCc1nc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)no1
398249796	ZINC000381273168	ref	3.77	-107.72	2	228.38	1.907	2	1	6	CC[C@H](C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)OC
398249797	ZINC000381273168	high	2.66	-40.54	1	228.38	1.907	2	2	6	CC[C@H](C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)OC
214201032	ZINC000053830881	ref	9.51	-16.13	0	347.323	2.848	0	7	8	COC(=O)c1ccc([N+](=O)[O-])c(OCCOc2ccccc2OC)c1
398249799	ZINC000381277334	ref	0.11	-45.78	1	212.253	-0.686	2	4	5	C[C@@H](C[NH3+])N(C)CC(=O)Nc1ccon1
342089504	ZINC000600315400	ref	4.52	-15.43	0	292.404	1.933	2	3	6	CCSCc1ccccc1C(=O)N[C@@H]1C[C@@H](C(N)=O)C1
342089505	ZINC000600316555	ref	6.41	-8.36	0	252.358	1.261	1	2	5	C[C@H]1C[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)[C@H]1C[C@H]1C
222609512	ZINC000222533182	ref	8.46	-21.15	0	378.831	3.021	1	3	7	CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(F)cc1
214201038	ZINC000053840943	ref	9.23	-16.18	0	338.436	3.279	1	5	6	C[C@H](c1ccccc1)n1cnnc1SCc1cccc(C(N)=O)c1
342089506	ZINC000046860354	ref	6.95	-43.19	1	295.427	1.38	2	2	5	C[C@H]1CCCC[N@@H+]1CCNC(=O)CN1CCCCCC1=O
342089507	ZINC000046860354	mid	6.64	-43.72	1	295.427	1.38	2	2	5	C[C@H]1CCCC[N@H+]1CCNC(=O)CN1CCCCCC1=O
342089508	ZINC000046860354	high	4.46	-14.31	0	295.427	1.38	1	3	5	C[C@H]1CCCCN1CCNC(=O)CN1CCCCCC1=O
342089509	ZINC000621364906	ref	5.02	-35.55	1	276.38	1.964	3	2	4	C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342089510	ZINC000621364906	mid	4.79	-37.64	1	276.38	1.964	3	2	4	C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342089511	ZINC000621364906	mid	2.55	-10.03	0	276.38	1.964	2	3	4	C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](C)[C@@H](CO)C1
342089512	ZINC000600315392	ref	6.14	-18.36	0	271.292	1.38	1	5	7	CCOC(=O)[C@@H](CC)C(=O)Nc1cnn(CCF)c1
342089513	ZINC000621364913	ref	5.85	-40.85	1	290.407	1.839	2	2	4	C[C@H]1CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CO
178324990	ZINC000237669869	high	3.61	-12.22	0	371.403	1.774	2	4	4	O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)[C@H]1CNCCO1
178324995	ZINC000237677289	ref	3.81	-54.44	1	351.472	1.264	2	3	4	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)NC[C@H]1CCC[NH2+]C1
178324998	ZINC000237668013	ref	8.12	-41.96	1	373.497	1.789	2	3	6	Cc1ccc(C)c(OCC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1
178325002	ZINC000237672509	ref	8.38	-43.43	-1	360.37	1.618	1	7	7	Cc1cccc(C[C@H](CNC(=O)c2c([N+](=O)[O-])c(C)nn2C)C(=O)[O-])c1
342602714	ZINC000617005373	high	2.26	-9.08	0	297.443	1.639	1	4	5	CON1CCC(CC(=O)NC[C@H]2CCN2C(C)(C)C)CC1
365650494	ZINC000354729990	mid	5.45	-43.49	1	267.325	1.803	2	4	4	CCOC(=O)c1coc(C[N@H+]2CCC[C@H](O)CC2)c1
365650498	ZINC000354729990	mid	3.37	-9.23	0	267.325	1.803	1	5	4	CCOC(=O)c1coc(CN2CCC[C@H](O)CC2)c1
178325004	ZINC000237667849	ref	4.7	-60.08	1	352.5	1.873	2	3	7	C[C@H](CC(=O)NCc1ccccc1CS(C)(=O)=O)[C@@H]1CCC[NH2+]C1
342602715	ZINC000617005482	ref	4.97	-35.82	1	268.401	1.792	2	2	6	COCC1(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1
178325008	ZINC000237669964	ref	6.49	-51.24	1	370.453	1.161	3	3	4	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)NC3C[C@@H]4CC[C@H](C3)[NH2+]4)C2=O)cc1
178325010	ZINC000237666605	ref	8.66	-53.55	-1	357.41	1.864	0	6	5	Cc1cc(C)n(Cc2cccc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)c2)n1
365650505	ZINC000354730376	ref	6.94	-45.99	1	280.412	1.624	2	2	5	O=C1CCCN1[C@H]1CC[N@@H+](C[C@@H](O)CC2CCCC2)C1
365650508	ZINC000354730376	mid	6.56	-37.72	1	280.412	1.624	2	2	5	O=C1CCCN1[C@H]1CC[N@H+](C[C@@H](O)CC2CCCC2)C1
178325012	ZINC000237681263	ref	4.96	-56.51	1	369.469	1.416	2	4	5	Cc1cc(C)n(-c2ccc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2)n1
178325014	ZINC000237673042	ref	5.01	-45.14	1	358.442	1.102	2	3	4	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCCC[C@@H]3C[NH3+])C2=O)cc1
178325018	ZINC000237681012	ref	3.46	-62.29	1	373.478	1.974	3	3	7	Cc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1
365650512	ZINC000354730376	high	4.42	-8.85	0	280.412	1.624	1	3	5	O=C1CCCN1[C@H]1CCN(C[C@@H](O)CC2CCCC2)C1
365650517	ZINC000354729191	ref	4.67	-13.61	0	275.312	1.477	0	6	4	CC[C@@H](C)c1cc(C(=O)N2CC(n3ccnn3)C2)on1
342602716	ZINC000617005482	mid	6.19	-35.9	1	268.401	1.792	2	2	6	COCC1(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1
365650527	ZINC000354728895	ref	4.4	-16.23	0	287.319	1.768	0	5	5	COc1cccc(C2(C(=O)N(C)Cc3ncon3)CC2)c1
214201016	ZINC000293781044	low	9.11	-48.07	1	373.457	0.502	1	6	6	CN(C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1)C(=O)CCn1ncn(C)c1=O
197610079	ZINC000290144244	ref	2.12	-17.12	0	255.387	1.07	0	4	2	Cc1cnn(C)c1CN1CC[S@](=O)[C@@H](C)[C@H]1C
214201018	ZINC000293778672	ref	4.21	-19.13	0	363.418	0.926	2	7	9	COCCOC(=O)c1c(C)[nH]c(C(=O)NCCCc2cnn(C)n2)c1C
214201023	ZINC000293785248	ref	1.64	-22.19	0	371.39	0.076	2	6	4	CCOC(=O)[C@@H](F)C1CN(C(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)C1
214201027	ZINC000293779002	ref	7.19	-40.69	1	371.441	0.506	1	6	3	CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)[C@H]2C1
214201029	ZINC000293779002	mid	7.11	-46.56	1	371.441	0.506	1	6	3	CC[N@H+]1CC[C@H]2OCCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)[C@H]2C1
214201034	ZINC000293779002	high	4.85	-12.84	0	371.441	0.506	0	7	3	CCN1CC[C@H]2OCCN(C(=O)c3ccc(=O)n(-c4cnn(C)c4)c3)[C@H]2C1
214201039	ZINC000293784251	ref	7.9	-27.28	0	366.374	0.608	0	8	5	COC(=O)[C@@H]1CCO[C@H]1C1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)CC1
214201044	ZINC000293783985	ref	8.37	-14.44	0	359.357	0.807	0	5	3	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)N2CCc3ccc(C#N)cc32)C1
214201046	ZINC000293788285	ref	6.76	-48.51	1	371.485	0.964	2	4	3	C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC[N@@H+](C2CCC2)C1
197610085	ZINC000290142887	ref	6.95	-6.67	0	265.328	2.774	0	2	4	CCOC1CC(N(C)C(=O)c2cc(F)ccc2C)C1
342089514	ZINC000621364913	mid	5.27	-38.9	1	290.407	1.839	2	2	4	C[C@H]1CC[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CO
342089515	ZINC000621364913	high	3.1	-11.41	0	290.407	1.839	1	3	4	C[C@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CO
342089516	ZINC000618183530	ref	5.85	-11.2	0	278.396	1.941	1	2	2	O=C1CC[C@H](C(=O)N2CC[C@@H](C3CCCCC3)C2)CN1
342089517	ZINC000069290421	ref	4.09	-37.4	1	261.369	1.57	2	3	2	Nc1ccc(N2CC[NH+](C3CCOCC3)CC2)cc1
342089518	ZINC000069290421	high	1.69	-4.04	0	261.369	1.57	1	4	2	Nc1ccc(N2CCN(C3CCOCC3)CC2)cc1
342089519	ZINC000621364946	ref	4.23	-33.51	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1CO
342089520	ZINC000621364946	mid	4.47	-34.01	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1CO
342089521	ZINC000621364946	mid	3.98	-34.69	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1CO
342089522	ZINC000621364946	mid	3.79	-34.32	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@H]1CO
342602717	ZINC000617005482	high	3.16	-6.76	0	268.401	1.792	1	3	6	COCC1(CC(=O)NC[C@@H]2CCN2C(C)(C)C)CC1
342602718	ZINC000617005477	ref	4.66	-38.12	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1
342602719	ZINC000617005477	mid	5.87	-38.41	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1
342602720	ZINC000617005477	high	2.81	-7.5	0	268.401	1.79	1	3	4	CO[C@@H]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)C1
197610099	ZINC000290144873	ref	0.99	-12.76	0	271.298	1.029	0	6	4	Cc1occc1-c1noc(CN(C)S(C)(=O)=O)n1
342602721	ZINC000617005789	ref	6.49	-44.09	1	295.427	1.234	2	2	5	CCCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1=O
342602722	ZINC000617005789	mid	5.37	-44.28	1	295.427	1.234	2	2	5	CCCN1C[C@H](C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1=O
342602723	ZINC000617005789	high	3.47	-10.51	0	295.427	1.234	1	3	5	CCCN1C[C@H](C(=O)NC[C@H]2CCN2C(C)(C)C)CC1=O
342602724	ZINC000590876923	ref	4.49	-14.08	0	291.347	1.294	2	4	7	COC(=O)Cc1cccc(C(=O)NCCC2(CO)CC2)c1
342602725	ZINC000617005501	ref	3.94	-34.42	1	296.44	1.599	3	4	5	CCNc1nc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cs1
342602726	ZINC000617005501	mid	5.2	-34.14	1	296.44	1.599	3	4	5	CCNc1nc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cs1
214201017	ZINC000278510963	mid	8.16	-17.14	0	312.421	2.291	0	6	4	C=Cn1cc(CN2CCC(c3nnc4n3CCCC4)CC2)cn1
342602727	ZINC000617005501	high	2.17	-7.53	0	296.44	1.599	2	5	5	CCNc1nc(C(=O)NC[C@@H]2CCN2C(C)(C)C)cs1
214201019	ZINC000278511815	ref	4.5	-45.27	1	318.417	1.973	1	4	5	C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc2c(c1)OCCO2
214201022	ZINC000278510708	ref	8.64	-41.0	1	316.445	2.707	2	2	6	C/C(=C\C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)c1ccccc1
214201025	ZINC000278510708	mid	8.67	-42.02	1	316.445	2.707	2	2	6	C/C(=C\C(=O)NCCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1
214201028	ZINC000278510708	high	6.58	-7.2	0	316.445	2.707	1	3	6	C/C(=C\C(=O)NCCCN1CCCO[C@@H](C)C1)c1ccccc1
214202808	ZINC000278512193	high	1.38	-47.4	-1	307.35	1.027	2	5	6	Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NOCC(C)(C)O
342602728	ZINC000590878208	ref	7.94	-9.53	0	283.368	1.649	1	4	7	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)OCC1CC1
342602729	ZINC000617005480	ref	5.62	-39.59	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1
342602730	ZINC000617005480	mid	4.7	-39.61	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@H](C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1
342602731	ZINC000617005480	high	2.67	-9.82	0	268.401	1.79	1	3	4	CO[C@@H]1CC[C@H](C(=O)NC[C@H]2CCN2C(C)(C)C)C1
214201030	ZINC000278512022	ref	5.67	-9.93	0	320.437	1.264	1	5	6	C=C[C@](C)(O)CC(=O)N1CCCN(Cc2cnn(CC)c2)CC1
214201033	ZINC000278512022	mid	7.56	-44.85	1	320.437	1.264	2	4	6	C=C[C@](C)(O)CC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1
214201036	ZINC000278512022	mid	7.7	-46.11	1	320.437	1.264	2	4	6	C=C[C@](C)(O)CC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1
214201040	ZINC000278510853	ref	4.84	-40.9	1	306.406	2.427	2	3	6	COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCOC[C@@H]2C)cc1
214201042	ZINC000278510934	ref	5.56	-9.07	0	317.364	3.173	0	5	4	Cc1nc([C@H](C)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)no1
214201047	ZINC000278509589	ref	4.32	-17.41	0	304.375	2.772	1	5	3	COc1nnc(NC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)s1
342089523	ZINC000621364946	mid	4.23	-33.51	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@H+](CC[C@H]2CCCCN2C)C[C@@H]1CO
342089524	ZINC000621364946	mid	4.47	-34.01	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@@H+](CC[C@H]2CCCCN2C)C[C@@H]1CO
342089525	ZINC000621364946	high	3.98	-34.69	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1CO
214201061	ZINC000278511140	ref	7.43	-10.7	0	304.777	3.129	1	3	6	C[C@@H](NC(=O)COCc1ccccc1)c1ccc(Cl)cn1
346818991	ZINC000589955106	low	8.89	-34.41	1	289.423	3.332	1	1	3	C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1
342089526	ZINC000621364946	high	3.79	-34.32	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@@H]1CO
342089527	ZINC000600315979	ref	4.81	-12.04	0	295.27	1.793	1	6	5	COC(=O)c1cc(C(=O)Nc2cnn(CCF)c2)c(C)o1
342089528	ZINC000600316311	ref	5.32	-41.94	1	279.384	1.155	2	3	3	C[N@@H+]1CCCC[C@@H](CNC(=O)C2(C#N)CCOCC2)C1
342089529	ZINC000600316311	mid	5.16	-41.4	1	279.384	1.155	2	3	3	C[N@H+]1CCCC[C@@H](CNC(=O)C2(C#N)CCOCC2)C1
342089530	ZINC000600315347	ref	7.0	-41.47	1	258.431	1.976	2	2	5	CC[C@H](SC)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
342089531	ZINC000600315347	mid	7.16	-41.64	1	258.431	1.976	2	2	5	CC[C@H](SC)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
214201066	ZINC000278510046	ref	8.76	-16.44	0	303.362	1.883	1	5	3	CC1(C)CCc2nc(NC(=O)C[C@H]3COC(=O)C3)ncc2C1
214201069	ZINC000278510386	ref	5.05	-9.95	0	317.36	3.035	2	3	6	CC(C)Oc1ccccc1CNC(=O)c1ccc(CO)c(F)c1
342089532	ZINC000618183531	ref	5.83	-11.26	0	278.396	1.941	1	2	2	O=C1CC[C@@H](C(=O)N2CC[C@@H](C3CCCCC3)C2)CN1
342089533	ZINC000621364945	ref	3.98	-34.29	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1CO
342089534	ZINC000621364945	mid	4.45	-34.05	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1CO
197610104	ZINC000163088146	ref	7.38	-52.35	1	316.342	3.287	1	1	4	Fc1ccc2c(c1)CC[C@H]2[NH2+]C[C@H]1CCN(CC(F)(F)F)C1
214201041	ZINC000337660840	ref	3.81	-13.24	0	299.317	2.011	2	3	8	O=C(CCCOc1ccc(F)cc1F)NC[C@@H](O)C1CC1
214201045	ZINC000337659559	ref	11.04	-10.95	0	271.368	2.278	0	5	2	Cc1cccnc1-c1nnc(N2C[C@H](C)[C@@H](C)C2)n1C
343995673	ZINC000079974884	ref	4.25	-12.82	0	294.336	2.353	2	5	4	Cc1cnc(C(C)(C)NC(=O)c2cc([N+](=O)[O-])c[nH]2)s1
343995675	ZINC000079975355	ref	4.04	-9.63	0	290.392	2.328	2	4	3	Cc1cnc(C(C)(C)NC(=O)c2n[nH]c3c2CCC3)s1
365650515	ZINC000336563364	low	7.55	-40.94	1	265.382	2.011	1	2	2	O=C([C@@H]1CCCS1)N1CCC(c2c[nH+]c[nH]2)CC1
282123740	ZINC000151693359	ref	6.54	-13.09	0	324.465	2.348	1	3	8	CCCC(=O)N1CCC(C(=O)NCC2(CCOC)CCC2)CC1
214201053	ZINC000337660588	ref	10.83	-11.72	0	287.411	3.073	1	4	2	Cn1c(-c2ccc[nH]2)nnc1N1CC(C)(C)CC(C)(C)C1
282123748	ZINC000151702914	ref	5.61	-11.42	0	321.764	2.426	0	5	5	Cc1noc([C@H]2CC(=O)N(CCOc3ccccc3Cl)C2)n1
342089535	ZINC000621364945	mid	4.48	-33.19	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1CO
178325021	ZINC000237673734	ref	5.3	-58.93	1	372.469	1.396	3	3	5	Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])C2=O)cc1
342089536	ZINC000621364945	mid	4.3	-33.45	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1CO
342089537	ZINC000621364945	mid	3.98	-34.29	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@H+](CC[C@H]2CCCCN2C)C[C@H]1CO
342089538	ZINC000621364945	mid	4.45	-34.05	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@@H+](CC[C@H]2CCCCN2C)C[C@H]1CO
342089539	ZINC000621364945	high	4.48	-33.19	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1CO
342089540	ZINC000621364945	high	4.3	-33.45	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@H]2CCCC[N@H+]2C)C[C@H]1CO
342089541	ZINC000588343828	ref	4.28	-15.23	0	285.275	1.631	2	4	7	C[C@@H](CF)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1
342089542	ZINC000600315881	ref	7.66	-42.68	1	284.4	1.568	2	3	7	COC(=O)CCCCC(=O)NC[C@H]1CCCC[N@H+](C)C1
342089543	ZINC000600315881	mid	7.56	-43.55	1	284.4	1.568	2	3	7	COC(=O)CCCCC(=O)NC[C@H]1CCCC[N@@H+](C)C1
342089544	ZINC000600315524	ref	5.47	-49.22	1	295.343	1.088	3	4	4	Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-]
342089545	ZINC000600315524	mid	5.29	-49.27	1	295.343	1.088	3	4	4	Cc1n[nH]c(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-]
342089546	ZINC000621364943	ref	3.97	-34.4	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1CO
349536043	ZINC000621500199	ref	8.1	-8.1	0	274.355	3.252	1	1	3	C[C@H]1CCC[C@@H](C)CN1C(=O)NCC[C@@H]1CC1(F)F
342089547	ZINC000621364943	mid	4.44	-34.03	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1CO
342089548	ZINC000621364943	mid	4.3	-31.76	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1CO
342089549	ZINC000621364943	mid	4.45	-32.84	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1CO
342089550	ZINC000621364943	mid	3.97	-34.4	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2C)C[C@H]1CO
342089551	ZINC000621364943	mid	4.44	-34.03	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)C[C@H]1CO
349536047	ZINC000621498536	ref	7.92	-10.29	0	286.366	3.253	1	1	3	C[C@@H]1CC[C@@]2(CCN(C(=O)NCC[C@H]3CC3(F)F)C2)C1
349536054	ZINC000621500109	ref	7.89	-9.81	0	292.345	3.344	1	1	3	O=C(N[C@@H](C(F)F)C1CCCCC1)N1CCC[C@@H](F)C1
349536060	ZINC000621500733	ref	7.93	-9.52	0	274.355	3.253	1	1	5	CCC[C@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
349536064	ZINC000621501024	ref	6.77	-5.93	0	272.339	3.052	2	1	4	O=C(N[C@H](C(F)F)C1CCCCC1)N[C@@H]1CC12CC2
349536069	ZINC000621500864	ref	8.68	-9.31	0	294.345	3.188	1	1	3	C[C@@H]1Cc2ccccc2CN1C(=O)NCC[C@@H]1CC1(F)F
349536074	ZINC000621500836	ref	6.68	-10.46	0	271.364	3.134	2	2	3	Cc1ccc([C@@H](C)NC(=O)c2[nH]c(C)nc2C)c(C)c1
349536079	ZINC000621500537	ref	7.75	-11.94	0	298.308	3.327	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CC[C@@H]1c1cccc(F)c1
349536083	ZINC000621498572	ref	7.91	-6.68	0	274.355	3.418	1	1	5	C=C(C)CN(C)C(=O)N[C@H](C(F)F)C1CCCCC1
349536088	ZINC000621501005	ref	7.66	-9.59	0	272.339	3.006	1	1	4	O=C(NCC[C@H]1CC1(F)F)N1CCC[C@H]1C1CCC1
349536092	ZINC000621500767	ref	7.17	-10.2	0	274.355	3.253	1	1	5	CCC1(CC)CCN(C(=O)NCC[C@H]2CC2(F)F)C1
349536097	ZINC000621500867	ref	8.66	-9.29	0	294.345	3.188	1	1	3	C[C@H]1Cc2ccccc2CN1C(=O)NCC[C@@H]1CC1(F)F
349536102	ZINC000621500941	ref	6.11	-9.32	0	298.386	3.294	2	3	5	Cc1ccc(C(=O)NCc2ccc(OC(C)C)cc2)cc1N
398249800	ZINC000651465625	ref	5.81	-6.61	0	274.339	3.339	2	3	5	OCC1(CCNc2nccc3ccc(F)cc23)CCC1
349536105	ZINC000621500580	ref	7.64	-8.61	0	272.339	3.006	1	1	3	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@@H]2CCC[C@@H]21
229487966	ZINC000419203337	ref	2.94	-10.79	0	308.765	2.188	1	5	4	OC[C@H]1CN(Cc2cc(-c3ccccc3Cl)on2)CCO1
349536109	ZINC000621500256	ref	4.49	-6.59	0	290.388	3.26	1	4	4	COc1cc(C(=O)N[C@@H](C)c2ccc(C)cc2C)sn1
398254085	ZINC000575451072	ref	1.66	-40.01	1	216.331	0.881	2	4	2	O[C@@H](c1ccns1)[C@@H]1CSCC[NH2+]1
214201043	ZINC000053843358	ref	7.64	-24.58	0	335.772	3.83	1	5	2	Cc1sc2[nH]c(-c3ccc(Cl)c([N+](=O)[O-])c3)nc(=O)c2c1C
214201048	ZINC000053831295	ref	8.49	-46.37	1	340.286	3.892	1	2	6	C[NH2+][C@H](Cc1cccc(OC)c1)Cc1ccc(Br)s1
214201055	ZINC000053824298	ref	11.06	-11.57	0	347.488	2.87	0	6	4	Cc1cc2nnc(SCC(=O)N(C)[C@H]3CCCC[C@@H]3C)n2c(C)n1
365650520	ZINC000625119643	ref	5.87	-9.49	0	303.468	2.499	0	3	6	CCO[C@H](CS(=O)(=O)N1CC[C@H](C(C)(C)C)C1)C1CC1
178325024	ZINC000237676275	ref	3.59	-61.26	1	351.472	1.346	1	3	3	Cc1cc(N2CCCS2(=O)=O)ccc1C(=O)N1CCC(C[NH3+])CC1
178325026	ZINC000237666610	ref	5.89	-53.45	-1	350.396	1.797	0	6	4	Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(c2ccccc2)CC1
178325029	ZINC000237667147	ref	5.48	-47.91	1	350.419	1.59	3	5	10	Cc1ccc(NCCCNC(=O)C[NH2+]C[C@@H]2CCCO2)c([N+](=O)[O-])c1
178325031	ZINC000237667147	high	4.05	-15.17	0	350.419	1.59	3	6	10	Cc1ccc(NCCCNC(=O)CNC[C@@H]2CCCO2)c([N+](=O)[O-])c1
178325036	ZINC000237675405	ref	4.33	-48.37	1	361.471	1.311	2	6	3	Cc1nc(-c2c(C)c(C)nn(C)c2=O)sc1C(=O)N[C@@H]1CCC[NH2+]C1
214201060	ZINC000053838847	ref	3.3	-19.24	0	334.397	2.596	2	4	6	COc1ccc(NS(=O)(=O)Cc2ccc(NC(C)=O)cc2)cc1
214201064	ZINC000053836300	ref	11.26	-24.47	0	349.366	2.619	1	6	6	CC(C)(C)C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1
342089552	ZINC000621364943	high	4.3	-31.76	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1CO
214201070	ZINC000053844139	ref	8.75	-22.1	0	337.448	4.255	2	3	4	CC(C)Cc1csc2[nH]c(Cc3c[nH]c4ccccc34)nc(=O)c12
214201076	ZINC000053831464	ref	6.95	-49.89	1	326.259	3.632	1	2	5	COc1ccc(C[C@@H]([NH3+])Cc2ccc(Br)s2)cc1
214201080	ZINC000053830292	ref	2.43	-17.88	0	332.328	0.776	1	4	4	C[C@@]1(c2ccc(F)cc2F)NC(=O)N(CCS(C)(=O)=O)C1=O
214201086	ZINC000053832720	ref	7.98	-35.41	1	330.213	4.374	1	1	6	CCC[NH2+][C@H](Cc1sccc1Br)CC(F)(F)F
214201091	ZINC000053835635	ref	11.78	-23.87	0	329.36	1.943	1	6	5	C[C@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc2c(c1)CCCC2
398249802	ZINC000651465625	low	6.17	-32.61	1	274.339	3.339	2	2	5	OCC1(CCNc2[nH+]ccc3ccc(F)cc23)CCC1
365650524	ZINC000625121108	ref	6.2	-10.58	0	302.296	2.28	0	3	4	CN(C[C@H]1CCCO1)C(=O)Cc1cc(C(F)(F)F)ccn1
342089553	ZINC000621364943	high	4.45	-32.84	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@H]1CO
365650528	ZINC000625121021	ref	2.01	-9.0	0	313.41	2.14	2	3	8	CCC(F)(F)C(C)(C)CS(=O)(=O)NCC1(CO)CCC1
342089554	ZINC000621364908	ref	4.95	-38.58	1	276.38	1.964	3	2	4	C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C[C@@H]1CO
342089555	ZINC000621364908	mid	4.71	-35.64	1	276.38	1.964	3	2	4	C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C[C@@H]1CO
342089556	ZINC000621364908	mid	2.52	-11.92	0	276.38	1.964	2	3	4	C[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2)C[C@@H]1CO
342089557	ZINC000046855536	ref	5.31	-54.89	1	266.301	1.139	3	3	5	O=C(NCC[NH+]1CCCCC1)c1cc([N+](=O)[O-])c[nH]1
398249803	ZINC000381271673	ref	6.37	-38.11	1	243.416	2.365	2	2	2	CC1(C)C[N@H+](C[C@H]2CCC[C@@H](O)C2)CCS1
398249806	ZINC000381271673	mid	6.38	-38.19	1	243.416	2.365	2	2	2	CC1(C)C[N@@H+](C[C@H]2CCC[C@@H](O)C2)CCS1
398249808	ZINC000381277585	ref	7.15	-36.21	1	227.392	3.217	1	1	8	CC[C@H](C)[C@H](C[NH2+]CC1(CC)CCC1)OC
398249811	ZINC000649445826	ref	6.08	-7.68	0	247.241	3.628	0	3	3	FC(F)(F)CCOc1ccc2cnsc2c1
342089558	ZINC000046855536	high	2.92	-15.46	0	266.301	1.139	2	4	5	O=C(NCCN1CCCCC1)c1cc([N+](=O)[O-])c[nH]1
342089559	ZINC000600316303	ref	8.06	-42.32	1	296.411	1.568	2	3	5	CCOC(=O)C1(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCC1
361824055	ZINC000629975610	ref	3.83	-34.23	1	240.347	0.89	3	2	4	C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1O)C1CCC1
361824058	ZINC000629975610	mid	3.84	-33.82	1	240.347	0.89	3	2	4	C[N@@H+](CC(=O)N[C@@H]1CCCC[C@@H]1O)C1CCC1
342089560	ZINC000600316303	mid	8.23	-42.53	1	296.411	1.568	2	3	5	CCOC(=O)C1(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)CCC1
342089561	ZINC000588343857	ref	4.59	-23.18	0	267.373	1.881	2	3	8	CC(C)(C)NC(=O)CCNC(=O)CCCCCC#N
342089562	ZINC000121768933	ref	8.4	-19.18	0	265.361	1.282	1	4	7	CCc1nncn1CCNC(=O)N(C)CCC1CC1
342089563	ZINC000084486368	ref	4.01	-38.19	1	253.321	1.337	3	3	5	OCC1CC[NH+](CCNc2ncccc2F)CC1
214201049	ZINC000293788285	mid	7.95	-44.4	1	371.485	0.964	2	4	3	C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CC[N@H+](C2CCC2)C1
398249814	ZINC000649445720	ref	4.36	-17.18	0	236.296	1.811	1	4	4	CCNC(=O)COc1ccc2cnsc2c1
342089564	ZINC000084486368	mid	1.63	-6.17	0	253.321	1.337	2	4	5	OCC1CCN(CCNc2ncccc2F)CC1
342089565	ZINC000618183529	ref	5.84	-11.25	0	278.396	1.941	1	2	2	O=C1CC[C@@H](C(=O)N2CC[C@H](C3CCCCC3)C2)CN1
342089566	ZINC000046860299	ref	3.78	-8.46	0	264.373	1.264	2	3	6	C[C@@H]1CCCC[N@@H+]1CCNC(=O)CCn1cccn1
342089567	ZINC000046860299	mid	5.91	-40.08	1	264.373	1.264	2	3	6	C[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1cccn1
342089568	ZINC000046860299	high	3.78	-8.46	0	264.373	1.264	1	4	6	C[C@@H]1CCCCN1CCNC(=O)CCn1cccn1
342602732	ZINC000590876696	ref	7.14	-10.7	0	289.331	1.533	0	4	3	COC(=O)C1(C(=O)N2CCc3cccc(OC)c3C2)CC1
342602733	ZINC000590876593	ref	2.33	-15.38	0	295.404	1.705	2	3	4	C[S@@](=O)c1cccc(C(=O)NC[C@H]2CCCC[C@@H]2O)c1
214201052	ZINC000293788285	high	5.68	-16.38	0	371.485	0.964	1	5	3	C[C@H]1CN(C(=O)c2cc(N3CCNC(=O)C3)ccn2)CCN(C2CCC2)C1
342602734	ZINC000617005598	ref	4.99	-36.73	1	290.407	1.751	3	2	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H](CO)c1ccccc1
342602735	ZINC000617005598	mid	4.3	-36.52	1	290.407	1.751	3	2	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H](CO)c1ccccc1
185091516	ZINC000096081287	mid	8.15	-54.05	1	271.364	1.667	1	2	4	O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccncc2)N1CC1CC1
185091518	ZINC000096081287	high	5.84	-8.96	0	271.364	1.667	0	3	4	O=C1C[C@H]2[C@H](CCN2Cc2ccncc2)N1CC1CC1
398249804	ZINC000390797258	ref	7.32	-37.59	1	219.328	3.312	1	1	6	C/C=C/C[NH2+][C@H](CC)c1ccc(OC)cc1
214201056	ZINC000293785311	ref	3.04	-26.64	0	368.381	0.703	0	5	4	Cc1cc(C(F)(F)F)nn1CC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
214201058	ZINC000293790421	ref	3.23	-16.08	0	356.444	0.956	0	5	7	COc1ccc(OCCC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1
214201063	ZINC000293790575	ref	2.76	-22.97	0	365.455	0.595	1	4	6	C=CC(=O)NCc1ccc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)cc1
214201067	ZINC000293782644	ref	4.63	-25.41	0	353.444	0.693	1	4	4	CC(=O)N1CCCC[C@H]1C(=O)N(C)Cc1ccccc1S(N)(=O)=O
185091521	ZINC000096081290	ref	5.62	-13.44	0	274.368	1.005	0	4	4	Cn1ccnc1CN1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1
185091522	ZINC000096081290	low	8.02	-47.01	1	274.368	1.005	1	3	4	Cn1ccnc1C[N@@H+]1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1
398249807	ZINC000390797258	high	6.28	-2.86	0	219.328	3.312	1	2	6	C/C=C/CN[C@H](CC)c1ccc(OC)cc1
178325038	ZINC000085221735	ref	4.64	-49.17	1	240.306	2.539	1	2	1	Cc1ccc(-c2ccc3c(n2)OCC[NH2+]C3)cc1
342602736	ZINC000617005598	high	2.15	-8.96	0	290.407	1.751	2	3	5	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H](CO)c1ccccc1
342602737	ZINC000617005773	ref	5.61	-39.3	1	278.4	1.577	3	2	5	C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214201074	ZINC000293778862	ref	3.29	-11.3	0	374.397	0.557	3	7	6	CCc1ccc([C@H](O)CNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)cc1
361824060	ZINC000629975610	mid	1.36	-8.48	0	240.347	0.89	2	3	4	CN(CC(=O)N[C@@H]1CCCC[C@@H]1O)C1CCC1
361824064	ZINC000629975019	ref	2.98	-34.14	1	228.336	0.604	3	2	6	CC(C)[C@H](O)CNC(=O)C[N@H+](C)C1CCC1
178325041	ZINC000085221735	high	3.37	-9.99	0	240.306	2.539	1	3	1	Cc1ccc(-c2ccc3c(n2)OCCNC3)cc1
178325044	ZINC000023656503	ref	5.99	-13.29	0	241.29	2.526	1	2	4	Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1
398249805	ZINC000651467974	ref	6.29	-8.67	0	291.782	3.341	1	4	4	COc1cc(CN[C@@H]2C[C@@H](C)n3ccnc32)ccc1Cl
342089569	ZINC000600315969	ref	3.75	-14.12	0	291.307	1.205	2	4	4	Cc1cc(C)c([N+](=O)[O-])cc1C(=O)N[C@@H]1C[C@@H](C(N)=O)C1
187169793	ZINC000125112212	ref	5.21	-10.21	0	288.351	2.3	1	5	6	COCCn1ccc(NC(=O)c2ccc(C(C)C)nc2)n1
398249810	ZINC000651467974	mid	7.39	-51.06	1	291.782	3.341	1	3	4	COc1cc(C[NH2+][C@@H]2C[C@@H](C)n3ccnc32)ccc1Cl
323005499	ZINC000127648596	mid	6.66	-33.54	1	226.364	1.831	1	1	2	C[C@@H]1CC[N@H+]([C@@H](C)C(=O)N(C)C)C[C@H](C)C1
214201075	ZINC000337658282	ref	0.55	-21.8	0	277.386	0.478	2	4	9	CCCCCS(=O)(=O)CC(=O)NC[C@@H](O)C1CC1
192037980	ZINC000273085568	ref	6.39	-12.29	0	294.307	1.976	1	6	5	COC(=O)C1(CNc2ccc([N+](=O)[O-])cc2)CCOCC1
192037982	ZINC000273085530	ref	6.24	-55.99	1	274.368	2.024	1	4	5	C[C@@H]1C[C@H](CC[NH2+]Cc2cnc3cnccn23)CCO1
398249813	ZINC000651467875	ref	9.16	-39.99	1	299.418	3.34	1	3	7	C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1-n1cccn1
398249816	ZINC000651466273	ref	7.43	-45.06	1	272.396	3.327	1	3	5	CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(C)nc2C)cn1
398249819	ZINC000651466273	mid	6.51	-8.22	0	272.396	3.327	1	4	5	CCn1cc([C@@H](C)N[C@H](C)c2ccc(C)nc2C)cn1
214201083	ZINC000337657911	ref	5.03	-19.92	0	286.295	1.0	2	6	5	Cc1ccc(-c2cc(C(=O)NCCn3cncn3)[nH]n2)o1
214201088	ZINC000337659441	ref	5.46	-13.52	0	270.333	0.203	0	7	6	CCOCc1nnc(N2CCO[C@H](COC)C2)n1C
342089570	ZINC000621364909	ref	4.99	-35.78	1	276.38	1.964	3	2	4	C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](CO)C1
398249822	ZINC000651465685	ref	8.7	-38.26	1	276.424	3.4	2	2	5	CCc1ccc(N[C@@H](C)C2CC[NH+](C)CC2)cc1OC
398249824	ZINC000651468002	ref	6.14	-35.84	1	291.382	3.332	1	2	7	COC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)C1CCCC1
214201092	ZINC000337660813	ref	3.56	-6.58	0	253.367	2.372	2	3	5	CC(C)c1ccsc1C(=O)NC[C@@H](O)C1CC1
178325075	ZINC000020096298	ref	9.86	-8.05	0	233.314	4.519	0	1	1	Cc1ccc(-c2ccc3cc(C)ccc3n2)cc1
178325080	ZINC000299789468	ref	5.06	-48.27	1	240.306	2.319	1	2	2	Cc1ccc(-c2ccc3c(c2)C[C@H](C[NH3+])O3)nc1
214201095	ZINC000337657679	ref	1.79	-13.76	0	269.345	0.162	2	3	3	C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@H]1CC(=O)N(C)C1
342602738	ZINC000617005773	mid	6.85	-38.51	1	278.4	1.577	3	2	5	C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
365650522	ZINC000336563364	low	7.54	-41.13	1	265.382	2.011	1	2	2	O=C([C@@H]1CCCS1)N1CCC(c2c[nH]c[nH+]2)CC1
342602739	ZINC000617005773	mid	5.65	-41.1	1	278.4	1.577	3	2	5	C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602740	ZINC000617005773	mid	6.89	-40.5	1	278.4	1.577	3	2	5	C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
282123742	ZINC000248983069	mid	4.86	-47.89	1	319.405	1.105	4	3	6	C[C@H]1CC[N@@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@H]1CO
282123746	ZINC000248987148	ref	4.34	-46.22	1	318.461	1.68	2	3	7	O[C@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1)CN1CCOCC1
290624408	ZINC000492864072	ref	6.22	-22.97	0	339.399	1.342	1	5	5	CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@H]2Cn2ccnn2)cc1
342602741	ZINC000617005773	low	6.16	-80.83	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
185091524	ZINC000096081290	low	7.91	-49.71	1	274.368	1.005	1	3	4	Cn1ccnc1C[N@H+]1CC[C@@H]2[C@@H]1CC(=O)N2CC1CC1
342602742	ZINC000617005773	low	7.4	-81.77	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602743	ZINC000617005773	low	6.15	-80.85	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602744	ZINC000617005773	low	7.4	-81.68	2	278.4	1.577	3	1	5	C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
398249809	ZINC000390795986	ref	4.56	-46.84	1	210.321	1.003	2	1	4	CC(C)C[C@@H](C)NC(=O)[C@@H]1[C@H]2C[NH2+]C[C@H]21
299072528	ZINC000354604129	ref	-0.03	-13.11	0	326.347	0.774	2	4	6	NC(=O)c1ccc(CNC(=O)C2CCN(CC(F)F)CC2)cn1
342602745	ZINC000617005773	high	3.84	-10.99	0	278.4	1.577	2	3	5	C[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCN1C(C)(C)C
342602746	ZINC000617005773	high	3.88	-10.34	0	278.4	1.577	2	3	5	C[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCN1C(C)(C)C
212172638	ZINC000335493636	ref	3.09	-55.31	1	263.341	0.633	2	3	3	Cn1cc(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)ccc1=O
212172644	ZINC000335494855	ref	0.66	-8.96	0	253.273	2.108	3	3	2	O=C(N[C@H]1CCC[C@@H](F)C1)c1c(O)cccc1O
212172646	ZINC000335494855	high	1.43	-47.33	-1	253.273	2.108	2	3	2	O=C(N[C@H]1CCC[C@@H](F)C1)c1c([O-])cccc1O
212172655	ZINC000335493574	ref	7.3	-11.86	0	289.356	2.418	1	4	2	O=C(NC1CCSCC1)c1coc(=O)c2ccccc12
212172657	ZINC000335494141	ref	2.85	-12.49	0	272.299	2.095	3	2	3	Cc1n[nH]cc1CNC(=O)N[C@@H]1CCCC(F)(F)C1
212172661	ZINC000335494141	mid	2.81	-11.9	0	272.299	2.095	3	2	3	Cc1[nH]ncc1CNC(=O)N[C@@H]1CCCC(F)(F)C1
342089571	ZINC000621364909	mid	4.9	-37.2	1	276.38	1.964	3	2	4	C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CC[C@@H](C)[C@H](CO)C1
342089572	ZINC000621364909	mid	2.58	-8.4	0	276.38	1.964	2	3	4	C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](C)[C@H](CO)C1
342089573	ZINC000600316310	ref	5.25	-43.98	1	279.384	1.155	2	3	3	C[N@@H+]1CCCC[C@H](CNC(=O)C2(C#N)CCOCC2)C1
214201081	ZINC000278509758	ref	8.13	-15.44	0	312.373	3.119	2	4	5	Cc1[nH]nc(NC(=O)[C@@H](C)Oc2cccc(C(C)C)c2)c1C#N
342089574	ZINC000600316310	mid	5.33	-42.78	1	279.384	1.155	2	3	3	C[N@H+]1CCCC[C@H](CNC(=O)C2(C#N)CCOCC2)C1
342089575	ZINC000069307563	ref	4.65	-15.17	0	273.398	1.46	0	3	4	CN(CC1CCCC1)C(=O)C[C@@H]1CCS(=O)(=O)C1
214201084	ZINC000278509846	ref	3.29	-43.91	1	314.223	2.389	2	2	5	Cc1cc(Br)ccc1C[NH2+][C@@]1(CCO)CCOC1
214201087	ZINC000278509846	high	2.49	-4.84	0	314.223	2.389	2	3	5	Cc1cc(Br)ccc1CN[C@@]1(CCO)CCOC1
398249812	ZINC000390800848	ref	-1.21	-85.3	2	213.325	-0.844	4	2	4	C[C@]1(CNC[C@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1
342089576	ZINC000600316552	ref	6.37	-8.89	0	252.358	1.261	1	2	5	C[C@H]1C[C@@H]1C(=O)N(C)[C@@H](C)CNC(=O)[C@H]1C[C@H]1C
342089577	ZINC000600316554	ref	6.37	-9.03	0	252.358	1.261	1	2	5	C[C@@H](CNC(=O)[C@H]1C[C@H]1C)N(C)C(=O)[C@@H]1C[C@H]1C
398249815	ZINC000390800848	low	-0.11	-180.86	3	213.325	-0.844	4	1	4	C[C@]1(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)CC[NH2+]C1
214201090	ZINC000278509799	ref	7.16	-13.52	0	302.284	2.61	2	3	3	Cc1[nH]nc(NC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1C#N
214201093	ZINC000278510068	ref	4.31	-12.76	0	318.352	1.462	0	5	5	CN1CC[C@H](N(C)Cc2nc(Cc3cccc(F)c3)no2)C1=O
342089578	ZINC000600315474	ref	7.32	-46.23	1	284.4	1.424	2	3	6	COC(=O)C[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+](C)C1
342089579	ZINC000600315474	mid	7.22	-47.17	1	284.4	1.424	2	3	6	COC(=O)C[C@H](C)CC(=O)NC[C@H]1CCCC[N@@H+](C)C1
178325057	ZINC000082827158	ref	5.75	-49.76	1	292.18	2.971	1	2	1	[NH3+][C@@H]1CCCc2c1cnn2-c1cccc(Br)c1
342089580	ZINC000600315345	ref	7.18	-41.71	1	258.431	1.976	2	2	5	CC[C@H](SC)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342089581	ZINC000600315345	mid	7.1	-42.58	1	258.431	1.976	2	2	5	CC[C@H](SC)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
214201098	ZINC000278509899	ref	8.17	-17.04	0	300.402	3.151	1	2	4	CCC(=O)N1CC[C@H](C(=O)Nc2ccc(C3CCC3)cc2)C1
342089582	ZINC000621364683	ref	0.67	-6.97	0	253.346	1.472	1	5	5	CCCc1nc(CN2CC[C@@H](C)[C@H](CO)C2)no1
342089583	ZINC000621364683	low	3.22	-31.94	1	253.346	1.472	2	4	5	CCCc1nc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)no1
398249818	ZINC000390798994	ref	2.4	-47.34	1	232.349	0.576	1	2	4	C=CCCS(=O)(=O)N1CC[NH2+]CC1(C)C
342602747	ZINC000590877155	ref	6.68	-9.81	0	279.34	1.365	1	5	5	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccnn1CC
342602748	ZINC000590876230	ref	5.87	-15.88	0	287.425	1.561	0	3	4	C[C@H](OCC1CC1)C(=O)N1CC[S@@](=O)C(C)(C)CC1
342602749	ZINC000617005502	ref	5.08	-34.05	1	296.44	1.599	3	4	5	CCNc1nc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cs1
214201078	ZINC000293779559	ref	4.98	-15.53	0	354.208	0.92	0	6	3	Cn1cc(Br)c(C(=O)N2CCO[C@H](Cn3cccn3)C2)n1
214201082	ZINC000293785244	ref	1.78	-26.79	0	371.39	0.076	2	6	4	CCOC(=O)[C@H](F)C1CN(C(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)C1
342602750	ZINC000617005502	mid	3.95	-34.44	1	296.44	1.599	3	4	5	CCNc1nc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cs1
214201085	ZINC000293782714	ref	3.26	-25.44	0	356.444	0.877	1	5	7	C[C@@H](OC[C@H]1CCCO1)C(=O)N(C)Cc1ccccc1S(N)(=O)=O
290624411	ZINC000342568756	ref	4.78	-8.64	0	294.42	2.47	1	3	2	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccccc3N)C2)C1
342602751	ZINC000617005502	high	2.06	-7.57	0	296.44	1.599	2	5	5	CCNc1nc(C(=O)NC[C@H]2CCN2C(C)(C)C)cs1
342602752	ZINC000590876233	ref	5.89	-16.08	0	287.425	1.561	0	3	4	C[C@@H](OCC1CC1)C(=O)N1CC[S@](=O)C(C)(C)CC1
342602753	ZINC000590877143	ref	4.9	-9.64	0	295.31	1.993	2	4	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc(O)c(F)c1
136230260	ZINC000295490833	ref	5.87	-9.28	0	211.305	2.05	1	2	8	C=CCCO[C@H](C)C(=O)NC/C=C/CC
136230261	ZINC000295492170	ref	6.93	-9.36	0	213.346	2.307	0	2	5	C=CCCCC(=O)N1CC[C@@H](SC)C1
282123743	ZINC000449156717	mid	6.53	-7.94	0	292.382	2.449	2	2	3	Cc1ccccc1[C@H](N)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]21
342602754	ZINC000590877143	mid	5.67	-44.46	-1	295.31	1.993	1	4	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1ccc([O-])c(F)c1
214201089	ZINC000293789892	ref	6.8	-35.49	1	374.445	0.866	1	7	4	CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3nnn(Cc4cc(C)no4)c3C)[C@H]2C1
214201094	ZINC000293789892	mid	6.59	-39.36	1	374.445	0.866	1	7	4	CC[N@H+]1CC[C@H]2OCCN(C(=O)c3nnn(Cc4cc(C)no4)c3C)[C@H]2C1
197610144	ZINC000290145592	ref	5.42	-11.77	0	294.38	2.433	0	7	7	CCS[C@H](C)c1noc(CCC(=O)c2cnn(C)c2)n1
197610146	ZINC000290143450	ref	7.07	-17.06	0	282.706	1.798	1	3	4	CN(Cc1nc[nH]n1)C(=O)Cc1cccc(Cl)c1F
197610148	ZINC000290143450	mid	7.47	-14.83	0	282.706	1.798	1	3	4	CN(Cc1nnc[nH]1)C(=O)Cc1cccc(Cl)c1F
136230262	ZINC000295631935	ref	6.96	-10.88	0	245.322	2.099	1	2	4	C#Cc1ccc(CNC(=O)COC(C)(C)C)cc1
342602755	ZINC000590876108	ref	2.87	-18.32	0	299.367	1.905	1	3	1	CC1(C)CCN(C(=O)c2ccc(O)c(F)c2)CC[S@]1=O
214201096	ZINC000293789892	mid	4.33	-11.6	0	374.445	0.866	0	8	4	CCN1CC[C@H]2OCCN(C(=O)c3nnn(Cc4cc(C)no4)c3C)[C@H]2C1
214201101	ZINC000293788292	ref	4.9	-24.37	0	366.399	0.697	1	8	5	Cc1nc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)nn1C
214201102	ZINC000293790038	ref	4.14	-11.19	0	371.397	0.961	1	7	2	O=C(Nc1ccc(-n2nccn2)cc1)C(=O)N1CCC2(CC1)OCCCO2
342089584	ZINC000621364683	low	2.55	-31.51	1	253.346	1.472	2	4	5	CCCc1nc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)no1
342089585	ZINC000600315565	ref	3.96	-20.78	0	285.347	1.454	2	3	6	N#CC[C@@H](CC(=O)N[C@@H]1C[C@@H](C(N)=O)C1)c1ccccc1
342089586	ZINC000621364912	ref	5.64	-39.96	1	290.407	1.839	2	2	4	C[C@@H]1CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CO
342089587	ZINC000621364912	mid	5.89	-38.49	1	290.407	1.839	2	2	4	C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CO
342089588	ZINC000621364912	high	2.89	-11.41	0	290.407	1.839	1	3	4	C[C@@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1CO
342089589	ZINC000600315491	ref	8.91	-45.56	1	298.427	1.812	2	3	4	C[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)C(=O)OC(C)(C)C
214201109	ZINC000293780414	ref	1.58	-16.33	0	368.196	0.925	2	3	2	C[C@H]1[C@@H](NC(=O)c2cc(I)c[nH]2)CCS1(=O)=O
214201113	ZINC000293781613	ref	1.61	-22.5	0	371.4	0.349	2	8	7	Cc1nnsc1CNC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]
214201118	ZINC000293781613	high	1.34	-53.99	-1	371.4	0.349	1	8	7	Cc1nnsc1CNC(=O)C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]
398249817	ZINC000381271684	ref	6.51	-35.14	1	243.416	2.365	2	2	2	CC1(C)C[N@H+](C[C@H]2CCC[C@H](O)C2)CCS1
342089590	ZINC000600315491	mid	8.82	-46.46	1	298.427	1.812	2	3	4	C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)C(=O)OC(C)(C)C
342089591	ZINC000046860352	ref	6.64	-43.56	1	295.427	1.38	2	2	5	C[C@@H]1CCCC[N@@H+]1CCNC(=O)CN1CCCCCC1=O
342089592	ZINC000046860352	mid	6.95	-42.9	1	295.427	1.38	2	2	5	C[C@@H]1CCCC[N@H+]1CCNC(=O)CN1CCCCCC1=O
342089593	ZINC000046860352	high	4.83	-14.04	0	295.427	1.38	1	3	5	C[C@@H]1CCCCN1CCNC(=O)CN1CCCCCC1=O
214201130	ZINC000293786262	ref	3.15	-16.65	0	360.414	0.639	3	4	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1cccc(N2CCC2=O)c1)C(C)C
342089594	ZINC000600316734	ref	5.5	-13.74	0	275.304	1.478	0	4	2	COC(=O)c1ccc(C(=O)N2CC3(CCCO3)C2)cc1
342089595	ZINC000600315479	ref	7.14	-46.18	1	284.4	1.424	2	3	6	COC(=O)C[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+](C)C1
342089596	ZINC000600315479	mid	7.32	-46.26	1	284.4	1.424	2	3	6	COC(=O)C[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
365650526	ZINC000173004518	ref	3.74	-11.0	0	298.408	1.668	1	3	5	C[NH+]1CCC(N(Cc2ccco2)S(=O)(=O)C2CC2)CC1
342089597	ZINC000621364653	ref	6.11	-59.03	1	291.395	1.828	1	3	8	CCCN1C[C@@H](C[NH2+]Cc2cncc(OCC)c2)CC1=O
342089598	ZINC000621364684	ref	0.44	-6.95	0	253.346	1.472	1	5	5	CCCc1nc(CN2CC[C@H](C)[C@H](CO)C2)no1
342089599	ZINC000621364684	low	3.01	-31.19	1	253.346	1.472	2	4	5	CCCc1nc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)no1
342089600	ZINC000621364684	low	3.06	-31.42	1	253.346	1.472	2	4	5	CCCc1nc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)no1
342089601	ZINC000600315971	ref	3.57	-20.21	0	280.303	1.502	1	5	5	N#CC1(CC(=O)Nc2cnn(CCF)c2)CCOCC1
365650540	ZINC000173004518	mid	3.74	-11.0	0	298.408	1.668	0	4	5	CN1CCC(N(Cc2ccco2)S(=O)(=O)C2CC2)CC1
342089602	ZINC000600316325	ref	6.54	-49.98	1	272.414	1.157	2	3	6	CC(=O)CSCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342089603	ZINC000600316325	mid	6.36	-49.91	1	272.414	1.157	2	3	6	CC(=O)CSCC(=O)NC[C@@H]1CCCC[N@H+](C)C1
342089604	ZINC000600316325	high	4.12	-16.64	0	272.414	1.157	1	4	6	CC(=O)CSCC(=O)NC[C@@H]1CCCCN(C)C1
365650548	ZINC000173009505	ref	3.73	-13.11	0	289.378	1.148	0	5	2	Cc1ccc(C(=O)N2CCSC[C@H]2S(C)(=O)=O)o1
365650563	ZINC000173003558	ref	4.38	-12.59	0	252.339	1.711	0	3	3	O=S(=O)(C1CC1)N1CCC[C@@H]1c1ccncc1
365650573	ZINC000189277234	ref	5.34	-10.77	0	279.327	1.933	0	3	8	CN(CCC1CCOCC1)C(=O)CCOCC(F)F
365650586	ZINC000053299089	ref	6.67	-96.72	2	281.425	1.563	2	2	5	C[C@@H](c1cccs1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1
342089605	ZINC000088679426	ref	6.89	-49.45	1	274.364	1.688	1	2	5	O=C1CCCN1Cc1ccccc1C[NH2+][C@@H]1CCOC1
365650591	ZINC000053299089	mid	6.7	-98.73	2	281.425	1.563	2	2	5	C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1
199273349	ZINC000181261840	ref	6.22	-10.72	0	317.382	2.096	0	4	4	Cc1cccc(S(=O)(=O)N(C)CC(=O)OC(C)(C)C)c1F
365650600	ZINC000053299089	mid	5.38	-38.38	1	281.425	1.563	2	3	5	C[C@@H](c1cccs1)[N@H+](C)CCC(=O)N1CCNCC1
342089606	ZINC000088679426	high	5.74	-9.68	0	274.364	1.688	1	3	5	O=C1CCCN1Cc1ccccc1CN[C@@H]1CCOC1
342089607	ZINC000067770163	ref	6.74	-12.53	0	279.369	1.517	0	6	5	CCc1nc(CN(C)C(=O)[C@H](C)n2cncn2)cs1
365650605	ZINC000053299089	mid	5.39	-40.52	1	281.425	1.563	2	3	5	C[C@@H](c1cccs1)[N@@H+](C)CCC(=O)N1CCNCC1
342089608	ZINC000600315475	ref	7.14	-46.14	1	284.4	1.424	2	3	6	COC(=O)C[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+](C)C1
365650612	ZINC000053299089	high	3.13	-8.35	0	281.425	1.563	1	4	5	C[C@@H](c1cccs1)N(C)CCC(=O)N1CCNCC1
342602756	ZINC000590876108	mid	3.63	-55.97	-1	299.367	1.905	0	3	1	CC1(C)CCN(C(=O)c2ccc([O-])c(F)c2)CC[S@]1=O
214201099	ZINC000337659158	ref	9.24	-9.67	0	269.348	3.165	1	3	3	Cc1ccccc1-n1nccc1NC(=O)[C@H]1CC1(C)C
214201104	ZINC000337660405	ref	5.41	-10.27	0	253.371	2.16	2	3	7	CCSCCCNC(=O)c1cnc(C2CC2)[nH]1
342602757	ZINC000590878364	ref	4.78	-8.51	0	268.338	1.605	1	5	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1nccs1
214201108	ZINC000337659848	ref	4.64	-19.56	0	281.315	2.241	3	2	4	O=C(NCCc1cccc2[nH]ccc12)c1ccc[nH]c1=O
214201112	ZINC000337660374	ref	4.76	-15.61	0	279.343	2.142	1	3	5	CN(CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1
214201116	ZINC000337660374	mid	7.03	-45.59	1	279.343	2.142	2	2	5	C[N@H+](CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1
214201119	ZINC000337660374	mid	7.02	-45.97	1	279.343	2.142	2	2	5	C[N@@H+](CC(N)=O)Cc1ccc(-c2ccccc2C#N)cc1
197610147	ZINC000163081036	ref	4.61	-9.48	0	314.385	2.099	1	5	7	COC(=O)[C@H](c1ccccc1C)N(CCO)Cc1cccnc1
342602758	ZINC000617005389	ref	5.9	-42.38	1	278.4	1.896	2	3	5	CCCn1nccc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214201123	ZINC000337657702	ref	3.05	-44.42	1	273.402	0.512	3	3	4	C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCOC2)CCSC1
214201127	ZINC000337657702	high	0.89	-7.86	0	273.402	0.512	2	4	4	CN(C)[C@]1(CNC(=O)N[C@@H]2CCOC2)CCSC1
342602759	ZINC000617005389	mid	6.81	-34.82	1	278.4	1.896	2	3	5	CCCn1nccc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214201129	ZINC000337657598	ref	2.56	-49.32	1	291.417	0.157	2	3	6	CC[NH+](CC)CCNC(=O)N1CC[C@H](S(C)(=O)=O)C1
282123747	ZINC000449156082	ref	5.82	-9.76	0	265.378	2.056	2	3	6	O=C(NCCSc1ccccc1)[C@H](O)C1CCC1
342602760	ZINC000617005389	high	4.52	-10.0	0	278.4	1.896	1	4	5	CCCn1nccc1C(=O)NC[C@@H]1CCN1C(C)(C)C
214201133	ZINC000337657598	mid	0.41	-16.33	0	291.417	0.157	1	4	6	CCN(CC)CCNC(=O)N1CC[C@H](S(C)(=O)=O)C1
398249820	ZINC000381271684	mid	6.52	-35.13	1	243.416	2.365	2	2	2	CC1(C)C[N@@H+](C[C@H]2CCC[C@H](O)C2)CCS1
192340743	ZINC000421452455	ref	4.89	-14.22	0	240.253	1.786	1	2	4	C[C@]1(C(=O)NCCc2ccncc2)CC1(F)F
342602761	ZINC000590876922	ref	0.59	-11.45	0	260.293	1.156	3	4	5	N#Cc1cc(O)cc(C(=O)NCCC2(CO)CC2)c1
398249823	ZINC000381277331	ref	0.31	-44.84	1	212.253	-0.686	2	4	5	C[C@H](C[NH3+])N(C)CC(=O)Nc1ccon1
342602762	ZINC000590876922	mid	1.34	-37.23	-1	260.293	1.156	2	4	5	N#Cc1cc([O-])cc(C(=O)NCCC2(CO)CC2)c1
214201142	ZINC000337660841	ref	3.9	-33.05	0	264.325	0.248	2	4	5	C[N@H+](CC(=O)[O-])[C@@H]1CN(Cc2ccccc2)C[C@@H]1O
178325085	ZINC000058021725	ref	5.4	-46.35	1	239.282	1.558	1	4	2	Cc1ccc(-c2ccc3nnc(C[NH3+])n3n2)cc1
178325090	ZINC000058021725	mid	5.0	-12.69	0	239.282	1.558	1	5	2	Cc1ccc(-c2ccc3nnc(CN)n3n2)cc1
178325092	ZINC000028710050	ref	8.02	-12.34	0	234.302	3.914	0	2	1	Cc1ccc(-c2ccc3ccc(C)nc3c2)nc1
282123750	ZINC000449156546	ref	4.93	-50.78	1	251.351	2.291	1	2	6	C[S@](=O)CCC[NH2+]Cc1cccc2ccoc12
282123754	ZINC000449156546	high	3.57	-15.16	0	251.351	2.291	1	3	6	C[S@](=O)CCCNCc1cccc2ccoc12
214201106	ZINC000278511086	ref	3.75	-15.76	0	324.377	1.911	3	5	9	CCOC(=O)COc1ccc(NC(=O)NCC[C@H](O)CC)cc1
214201110	ZINC000278509767	ref	3.71	-11.08	0	313.401	2.356	1	4	8	CC(C)N(CC(N)=O)Cc1cncc(OCc2ccccc2)c1
199273351	ZINC000181261310	ref	4.33	-14.71	0	300.424	1.131	2	4	6	CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N[C@@H](CC)CO
365650529	ZINC000336563671	ref	5.44	-12.79	0	292.335	2.483	0	3	2	O=S(=O)(c1cccc2cccnc12)N1CCC=C(F)C1
178325095	ZINC000041240348	ref	9.57	-9.24	0	222.287	3.791	0	1	1	Cc1ccc(-c2ccc3c(c2)C(=O)CC3)cc1
178325099	ZINC000065337776	ref	5.83	-15.58	0	203.216	2.489	1	1	1	Cc1ccc(-c2ccc[nH]c2=O)c(F)c1
178325102	ZINC000049827908	ref	6.2	-44.98	1	235.714	3.928	1	1	2	Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)cc1Cl
214201114	ZINC000278509767	low	5.47	-43.38	1	313.401	2.356	2	3	8	CC(C)[N@H+](CC(N)=O)Cc1cncc(OCc2ccccc2)c1
214201117	ZINC000278509767	low	5.49	-43.44	1	313.401	2.356	2	3	8	CC(C)[N@@H+](CC(N)=O)Cc1cncc(OCc2ccccc2)c1
178325104	ZINC000049827908	high	5.86	-3.63	0	235.714	3.928	1	2	2	Cc1ccc(-c2ccc([C@H](C)N)o2)cc1Cl
178325106	ZINC000013840604	ref	6.16	-5.14	0	218.683	4.021	1	1	1	Cc1ccc(-c2ccc(O)cc2)cc1Cl
199273353	ZINC000181263228	ref	8.42	-8.81	0	323.408	3.148	0	3	8	CO[C@H](C)CCC(=O)N(Cc1cccc(F)c1)C[C@@H]1CCCO1
365650534	ZINC000336563145	ref	5.34	-10.59	0	288.391	2.32	0	3	2	COC1(C)CCN(C(=O)c2ccc3c(c2)N(C)CC3)CC1
365650541	ZINC000336563548	ref	4.77	-44.77	1	287.407	2.007	2	2	3	Cc1ccccc1NC(=O)[C@H](C)N1CC[C@]2(CC[NH2+]C2)C1
342089609	ZINC000600315475	mid	7.32	-46.3	1	284.4	1.424	2	3	6	COC(=O)C[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
178325114	ZINC000016946225	ref	6.07	-10.4	0	237.258	2.797	1	2	1	Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3)cc1
178325117	ZINC000016946225	high	4.96	-40.74	-1	237.258	2.797	0	2	1	Cc1ccc(-c2ccc3c(c2)C(=O)C(=O)[N-]3)cc1
214201105	ZINC000053844872	ref	4.39	-10.8	0	337.439	1.609	0	4	7	COCCN1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1
214201107	ZINC000053844872	mid	6.72	-37.18	1	337.439	1.609	1	3	7	COCC[NH+]1CCN(CC(=O)N(C)[C@@H](C)c2ccc(F)cc2)CC1
214201111	ZINC000053824443	ref	10.55	-11.46	0	335.477	2.726	0	6	6	Cc1cc2nnc(SCC(=O)N(C)[C@@H](C)CC(C)C)n2c(C)n1
214201115	ZINC000053836409	ref	10.94	-28.18	0	333.348	1.852	1	7	8	CCOc1ccccc1[C@H](CC)NC(=O)Cn1cnc([N+](=O)[O-])n1
290624412	ZINC000492065228	ref	5.08	-19.19	0	332.356	0.46	1	5	4	CNC(=O)c1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)OC)cc1
290624414	ZINC000491365862	ref	5.48	-18.5	0	311.385	2.402	2	3	4	CNC(=O)c1ccc(/C=C\C(=O)NC2(C#N)CCCCC2)cc1
214201120	ZINC000053832655	ref	9.29	-36.53	1	342.174	4.451	1	0	6	CCC[NH2+][C@@H](Cc1cc(F)ccc1Br)CC(F)(F)F
214201126	ZINC000053845319	ref	2.5	-11.86	0	336.379	1.64	0	4	5	O=S(=O)(CCN1CCN(CC(F)(F)F)CC1)c1ccccc1
222609522	ZINC000222552140	ref	8.5	-25.93	0	384.867	3.777	2	4	6	CCn1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3ccccc3C)ccc21
210256190	ZINC000019525120	ref	6.83	-49.1	-1	379.42	3.14	0	7	6	CCn1cc(-c2cc(=O)n3[n-]c(COC)c(-c4ccc(OC)cc4)c3n2)cn1
323005500	ZINC000561684270	ref	7.63	-7.5	0	245.432	3.461	1	2	9	CCCC[C@H](CC)C(=O)NCCSC(C)C
342089610	ZINC000600315882	ref	7.48	-42.52	1	284.4	1.568	2	3	7	COC(=O)CCCCC(=O)NC[C@@H]1CCCC[N@H+](C)C1
342089611	ZINC000600315882	mid	7.66	-42.66	1	284.4	1.568	2	3	7	COC(=O)CCCCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342089612	ZINC000621364944	ref	4.23	-33.58	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1CO
342089613	ZINC000621364944	mid	4.47	-34.01	1	254.418	1.811	3	1	4	C[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1CO
342089614	ZINC000621364944	mid	3.79	-33.1	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1CO
342089615	ZINC000621364944	mid	3.96	-34.3	1	254.418	1.811	3	1	4	C[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1CO
342089616	ZINC000621364944	mid	4.23	-33.58	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@H+](CC[C@@H]2CCCCN2C)C[C@@H]1CO
342089617	ZINC000621364944	mid	4.47	-34.01	1	254.418	1.811	2	2	4	C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCN2C)C[C@@H]1CO
342089618	ZINC000621364944	high	3.79	-33.1	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1CO
342089619	ZINC000621364944	high	3.96	-34.3	1	254.418	1.811	2	2	4	C[C@@H]1CCN(CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1CO
342089620	ZINC000121755997	ref	3.78	-48.85	1	286.441	1.182	2	2	4	CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1
361824061	ZINC000616604947	ref	2.96	-39.99	1	262.353	1.347	3	2	4	NC(=O)c1cccc([C@H]2CCCC[N@H+](CCO)C2)c1
214201121	ZINC000278511616	ref	9.05	-50.14	1	304.419	1.981	2	4	8	C=CCn1c(SCC[N@@H+](C)Cc2ccccc2)n[nH]c1=O
342089621	ZINC000046855559	ref	4.21	-47.62	1	299.415	1.503	3	3	6	CC(C)(C)OC(=O)NCCC(=O)NCC[NH+]1CCCCC1
342089622	ZINC000046855559	high	1.82	-13.53	0	299.415	1.503	2	4	6	CC(C)(C)OC(=O)NCCC(=O)NCCN1CCCCC1
342089623	ZINC000600316324	ref	6.44	-50.89	1	272.414	1.157	2	3	6	CC(=O)CSCC(=O)NC[C@H]1CCCC[N@@H+](C)C1
342089624	ZINC000600316324	mid	6.54	-49.98	1	272.414	1.157	2	3	6	CC(=O)CSCC(=O)NC[C@H]1CCCC[N@H+](C)C1
342089625	ZINC000600316324	high	4.34	-16.4	0	272.414	1.157	1	4	6	CC(=O)CSCC(=O)NC[C@H]1CCCCN(C)C1
361824068	ZINC000616604947	mid	2.92	-41.17	1	262.353	1.347	3	2	4	NC(=O)c1cccc([C@H]2CCCC[N@@H+](CCO)C2)c1
342089626	ZINC000600316553	ref	6.41	-8.27	0	252.358	1.261	1	2	5	C[C@@H](CNC(=O)[C@H]1C[C@H]1C)N(C)C(=O)[C@H]1C[C@H]1C
307041924	ZINC000364138763	ref	9.18	-19.29	0	303.406	1.951	0	3	2	Cc1ccn(C)c1C(=O)N1CCCC[C@H]1C(=O)N1CCCC1
342089627	ZINC000600316707	ref	3.65	-16.71	0	278.377	1.543	2	3	5	CSCc1ccc(C(=O)N[C@@H]2C[C@@H](C(N)=O)C2)cc1
342089628	ZINC000600315499	ref	5.94	-44.87	1	293.367	1.263	3	3	4	COC(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@H+](C)C2)[nH]1
187169794	ZINC000125114142	ref	6.27	-38.44	1	292.427	2.466	1	4	5	Cc1nc(CN2CCC[N@H+](CCC3CCCC3)CC2)no1
342089629	ZINC000600315499	mid	5.85	-45.85	1	293.367	1.263	3	3	4	COC(=O)c1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)[nH]1
185091528	ZINC000096080882	ref	8.23	-47.04	1	276.38	2.134	1	2	3	Cc1ccc(C[NH+]2C[C@@H]3CN(C(=O)C(C)C)C[C@H]3C2)o1
342089630	ZINC000600315917	ref	7.09	-37.93	1	256.415	1.73	2	2	4	CSC1(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1
178325109	ZINC000082827084	ref	6.2	-53.56	1	270.361	2.818	1	4	1	[NH3+][C@@H]1CCCc2c1cnn2-c1nc2ccccc2s1
342089631	ZINC000600315917	mid	7.01	-38.73	1	256.415	1.73	2	2	4	CSC1(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CC1
342089632	ZINC000621364911	ref	5.26	-38.46	1	290.407	1.839	2	2	4	C[C@@H]1CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CO
342089633	ZINC000621364911	mid	5.86	-38.72	1	290.407	1.839	2	2	4	C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CO
342089634	ZINC000621364911	high	3.46	-11.55	0	290.407	1.839	1	3	4	C[C@@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CO
342089635	ZINC000600315534	ref	5.39	-50.2	1	295.343	1.088	3	4	4	Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)c1[N+](=O)[O-]
342602763	ZINC000590876686	ref	7.2	-13.99	0	291.347	1.779	0	4	4	CC[C@@H](C(=O)OC)C(=O)N1CCc2cccc(OC)c2C1
342602764	ZINC000590876034	ref	6.68	-17.58	0	282.409	1.638	0	3	3	CC1(C)CCN(C(=O)CCn2cccc2)CC[S@]1=O
342602765	ZINC000590878216	ref	7.11	-9.32	0	269.341	1.427	1	4	8	C=CCCOCC(=O)N[C@H]1CCC[C@H]1C(=O)OCC
342602766	ZINC000617005478	ref	5.81	-37.88	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1
214201124	ZINC000278511616	mid	9.06	-50.17	1	304.419	1.981	2	4	8	C=CCn1c(SCC[N@H+](C)Cc2ccccc2)n[nH]c1=O
214201125	ZINC000278511616	high	6.73	-8.56	0	304.419	1.981	1	5	8	C=CCn1c(SCCN(C)Cc2ccccc2)n[nH]c1=O
365650532	ZINC000576648629	low	7.15	-29.22	1	249.358	2.277	1	3	5	Cc1nc(NCCC[C@H]2CCCCO2)c(C)c[nH+]1
214201128	ZINC000278511855	ref	6.16	-10.18	0	307.375	2.149	0	7	6	COC[C@@H](OC(=O)c1ccc(N(C)C)nc1)c1nccs1
214201132	ZINC000278510028	ref	8.59	-14.51	0	312.373	1.889	1	5	4	C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCc1ncnn1-c1ccccc1
214201136	ZINC000278510437	ref	7.26	-19.81	0	313.85	2.642	0	2	5	CC[S@@](=O)CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl
342602767	ZINC000617005478	mid	4.7	-38.35	1	268.401	1.79	2	2	4	CO[C@@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1
214201139	ZINC000278509615	ref	5.57	-9.72	0	316.361	3.419	1	5	3	CC(C)c1noc(-c2ccc(NC(=O)N3CCCCO3)cc2)n1
214201141	ZINC000278510485	ref	6.75	-16.08	0	300.358	3.113	1	4	5	COc1cc(C)c(NC(=O)[C@H](C)Oc2cccnc2)cc1C
342602768	ZINC000617005478	high	2.8	-7.87	0	268.401	1.79	1	3	4	CO[C@@H]1CC[C@@H](C(=O)NC[C@H]2CCN2C(C)(C)C)C1
342609855	ZINC000590927256	ref	1.48	-6.75	0	269.345	1.259	0	6	7	CCOC1CCN(Cc2nc(CCOC)no2)CC1
342609856	ZINC000590927256	low	3.86	-44.67	1	269.345	1.259	1	5	7	CCOC1CC[NH+](Cc2nc(CCOC)no2)CC1
342609857	ZINC000590927947	ref	2.91	-13.45	0	289.335	1.022	2	4	2	C[C@H](NC(=O)N1CCOC[C@H](O)C1)c1cccc(C#N)c1
214201146	ZINC000278510130	ref	4.85	-8.23	0	322.386	2.87	0	7	7	COC[C@H](OC(=O)c1ccc(OC(C)C)nc1)c1nccs1
342609858	ZINC000590927475	ref	1.62	-13.21	0	274.324	1.182	3	3	5	CC[C@@H](NC(=O)N[C@@H](C)c1cccc(C#N)c1)C(N)=O
342609859	ZINC000590930440	ref	2.73	-21.81	0	272.414	1.633	2	2	3	CC1(C)CCC[C@@H]1CNC(=O)N[C@H]1CC[S@](=O)C1
230239570	ZINC000343100304	ref	-2.82	-16.88	0	298.386	-1.271	1	5	3	C[C@H]1OCC[C@H]1NS(=O)(=O)N1CCS(=O)(=O)CC1
342609860	ZINC000590928365	ref	4.16	-49.66	1	269.348	1.502	2	2	3	O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1c[nH]c2ccccc12
342602769	ZINC000617006211	ref	3.79	-36.55	1	277.372	1.067	2	4	5	C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)nn1
361824062	ZINC000351632273	ref	3.64	-37.14	1	295.427	1.628	4	2	5	C/C=C/C[C@H](CO)NC(=O)NC1C[C@@H]2CCC[C@H](C1)[N@@H+]2C
342602770	ZINC000617006211	mid	4.92	-35.93	1	277.372	1.067	2	4	5	C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)nn1
342602771	ZINC000617006211	high	1.9	-9.03	0	277.372	1.067	1	5	5	C=CCn1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)nn1
342602772	ZINC000617005938	ref	6.32	-44.91	1	290.411	1.749	2	3	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc(C2CC2)cn1
342602773	ZINC000617005938	mid	7.88	-44.27	1	290.411	1.749	2	3	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cc(C2CC2)cn1
168365606	ZINC000368508107	ref	6.18	-14.43	0	342.42	3.367	1	4	4	CS(=O)(=O)N1CCc2c(NCc3ccc4occc4c3)cccc21
168365608	ZINC000368505786	ref	9.18	-14.4	0	340.383	3.273	1	6	5	CC(=O)c1cc(NC2CCN(c3ccccn3)CC2)ccc1[N+](=O)[O-]
168365610	ZINC000368505786	low	9.52	-44.72	1	340.383	3.273	1	5	5	CC(=O)c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1[N+](=O)[O-]
168365611	ZINC000368501552	ref	9.62	-52.58	1	332.423	3.038	1	4	6	COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCCn3c(C)nnc32)cc1F
168365614	ZINC000368501552	high	8.41	-17.69	0	332.423	3.038	1	5	6	COc1ccc(C[C@@H](C)CN[C@H]2CCCn3c(C)nnc32)cc1F
361824065	ZINC000351632273	mid	3.48	-34.85	1	295.427	1.628	4	2	5	C/C=C/C[C@H](CO)NC(=O)NC1C[C@@H]2CCC[C@H](C1)[N@H+]2C
197610177	ZINC000290144269	ref	2.03	-15.22	0	269.297	0.804	2	5	6	CC[C@H](CO)NC(=O)c1c(C)coc1CC(=O)OC
210256198	ZINC000019523490	ref	8.83	-24.44	0	396.495	1.546	0	6	4	CCc1nccn1CC(=O)N1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1
210256205	ZINC000019523490	mid	9.29	-44.59	1	396.495	1.546	0	5	4	CCc1[nH+]ccn1CC(=O)N1CCC(c2ncc3c(n2)CCN(C(C)=O)C3)CC1
214201131	ZINC000053837318	ref	4.23	-11.76	0	332.322	2.024	0	4	4	COc1ccc(OC)c(C(=O)N2CCN(CC(F)(F)F)CC2)c1
210256212	ZINC000019526425	ref	11.69	-53.3	1	384.484	1.946	3	6	8	CC[NH+](CC)CCNc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1C
342602774	ZINC000617005938	high	4.98	-15.18	0	290.411	1.749	1	4	5	CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1cc(C2CC2)cn1
342602775	ZINC000617006136	ref	6.11	-42.24	1	290.411	1.9	2	3	4	Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342609861	ZINC000590930441	ref	2.8	-17.02	0	272.414	1.633	2	2	3	CC1(C)CCC[C@@H]1CNC(=O)N[C@H]1CC[S@@](=O)C1
365650533	ZINC000625121146	ref	4.37	-11.71	0	319.467	2.07	1	4	10	CCO[C@H](CS(=O)(=O)NCCC[C@H]1CCCCO1)C1CC1
343995677	ZINC000079975355	mid	4.09	-8.11	0	290.392	2.328	2	4	3	Cc1cnc(C(C)(C)NC(=O)c2[nH]nc3c2CCC3)s1
343995680	ZINC000079959495	ref	5.48	-11.93	0	261.325	2.05	0	4	3	Cc1nc(C2CCN(C(=O)/C=C/C3CC3)CC2)no1
342089636	ZINC000600315534	mid	5.47	-49.23	1	295.343	1.088	3	4	4	Cc1n[nH]c(C(=O)NC[C@H]2CCCC[N@H+](C)C2)c1[N+](=O)[O-]
342089637	ZINC000600315477	ref	7.32	-46.28	1	284.4	1.424	2	3	6	COC(=O)C[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+](C)C1
349536044	ZINC000594972477	ref	8.02	-53.92	1	258.268	2.962	1	2	6	CC(C)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F
290624418	ZINC000367108361	ref	6.0	-8.77	0	310.444	2.821	0	4	2	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccc(C#N)s3)C2)C1
342089638	ZINC000600315477	mid	7.22	-47.21	1	284.4	1.424	2	3	6	COC(=O)C[C@@H](C)CC(=O)NC[C@H]1CCCC[N@@H+](C)C1
365650539	ZINC000625120689	ref	3.04	-11.01	0	305.346	2.119	1	3	3	Cc1ccc(S(=O)(=O)N[C@]2(C)CCO[C@@H]2C)c(F)c1F
342089639	ZINC000121755050	ref	3.83	-49.85	1	288.457	1.57	2	2	7	CC[S@@](=O)[C@@H]1CCC[C@H](NC(=O)CC[NH2+]C(C)C)C1
342089640	ZINC000600315346	ref	7.09	-41.58	1	258.431	1.976	2	2	5	CC[C@@H](SC)C(=O)NC[C@@H]1CCCC[N@H+](C)C1
185091530	ZINC000096080882	high	5.47	-10.47	0	276.38	2.134	0	3	3	Cc1ccc(CN2C[C@@H]3CN(C(=O)C(C)C)C[C@H]3C2)o1
342089641	ZINC000600315346	mid	7.28	-41.66	1	258.431	1.976	2	2	5	CC[C@@H](SC)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1
342089642	ZINC000600316302	ref	8.27	-42.43	1	296.411	1.568	2	3	5	CCOC(=O)C1(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CCC1
185091533	ZINC000096080861	ref	8.86	-49.74	1	272.392	2.233	1	1	3	CC(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1
222609535	ZINC000222500020	ref	10.9	-14.05	0	396.531	3.96	1	3	10	CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1
365650543	ZINC000625120689	high	3.29	-42.47	-1	305.346	2.119	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@]2(C)CCO[C@@H]2C)c(F)c1F
222609538	ZINC000222563075	ref	3.08	-16.78	0	376.478	2.626	3	4	6	CC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)c2ccccc12)[C@H]1C[C@H](O)C1
365650549	ZINC000625119307	ref	2.47	-7.74	0	312.435	2.02	0	6	5	Cc1csc([C@H]2CN(CCOC3CCOCC3)CCO2)n1
365650555	ZINC000625119307	low	4.41	-38.24	1	312.435	2.02	1	5	5	Cc1csc([C@H]2C[N@H+](CCOC3CCOCC3)CCO2)n1
290624420	ZINC000433854295	ref	9.61	-7.71	0	302.418	3.452	0	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)c3noc4c3C[C@H](C)CC4)C2)C1
342089643	ZINC000600316302	mid	8.19	-43.14	1	296.411	1.568	2	3	5	CCOC(=O)C1(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)CCC1
214201134	ZINC000293790391	ref	6.6	-28.8	0	371.438	0.331	1	8	10	COCCN(CCNC(=O)COCc1nncn1C)C(=O)OC(C)(C)C
214201140	ZINC000293786962	ref	7.61	-42.34	1	350.375	0.078	1	6	4	CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1
214201144	ZINC000293786962	mid	7.38	-48.75	1	350.375	0.078	1	6	4	CC[N@H+]1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1
214201147	ZINC000293786962	high	5.12	-16.88	0	350.375	0.078	0	7	4	CCN1CC[C@H]2OCCN(C(=O)Cn3cc([N+](=O)[O-])ccc3=O)[C@H]2C1
214201151	ZINC000293790839	ref	4.21	-22.56	0	365.459	0.662	2	8	6	CSc1nc2nc(C)c(CC(=O)NC[C@H]3CC[C@@H](CO)O3)c(C)n2n1
214201155	ZINC000293782239	ref	4.58	-25.21	0	363.439	0.933	1	5	4	O=C(Nc1cccc(C2CC2)n1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1
214201159	ZINC000293778377	ref	2.64	-20.6	0	355.412	0.968	1	6	7	COc1cc(C=O)ccc1OCCC(=O)N[C@H]1CCS(=O)(=O)[C@H]1C
214201165	ZINC000293789335	ref	2.58	-66.55	-1	354.428	0.899	1	5	7	CC(=O)N[C@@](C)(C(=O)[N-]OCC1CC1)c1ccc(S(C)(=O)=O)cc1
197610181	ZINC000290144847	ref	5.62	-15.65	0	297.358	3.029	3	3	5	O=C(NCCc1ccc(O)cc1)Nc1cc(C2CC2)ccn1
197610184	ZINC000290143898	ref	5.37	-10.62	0	299.374	2.149	2	4	5	C[C@H](NC(=O)c1cnn(C)c1C1CC1)[C@@H](O)c1ccccc1
349536046	ZINC000093293733	mid	5.05	-44.51	1	280.376	0.346	3	4	5	C[C@@H]1CCC[N@@H+](CCNC(=O)NCc2ncn(C)n2)C1
342602776	ZINC000617006136	mid	7.2	-40.61	1	290.411	1.9	2	3	4	Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602777	ZINC000617006136	high	3.79	-10.47	0	290.411	1.9	1	4	4	Cn1ncc(C2CC2)c1C(=O)NC[C@@H]1CCN1C(C)(C)C
197610192	ZINC000290143871	ref	5.7	-47.54	1	298.386	3.014	1	3	6	COc1ncccc1CC[NH2+][C@@H](C)c1ccc2c(c1)COC2
342602778	ZINC000617006144	ref	6.55	-41.68	1	275.396	1.922	2	2	4	Cc1ccncc1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602779	ZINC000617006144	mid	5.43	-42.3	1	275.396	1.922	2	2	4	Cc1ccncc1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602780	ZINC000617006144	high	3.53	-10.82	0	275.396	1.922	1	3	4	Cc1ccncc1CC(=O)NC[C@H]1CCN1C(C)(C)C
214201171	ZINC000293789399	ref	4.66	-27.17	0	352.412	0.66	1	5	4	C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O1
168367872	ZINC000083591402	ref	2.09	-45.26	1	176.263	1.048	2	1	1	C[C@@H]([NH3+])[C@@H]1Cc2ccccc2CN1
214201174	ZINC000293790577	ref	2.83	-19.83	0	365.455	0.595	1	4	6	C=CC(=O)NCc1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1
178325120	ZINC000065340692	ref	5.8	-5.92	0	202.228	3.507	1	1	1	Cc1ccc(-c2ccc(O)c(F)c2)cc1
214201135	ZINC000053840942	ref	9.22	-16.49	0	338.436	3.279	1	5	6	C[C@@H](c1ccccc1)n1cnnc1SCc1cccc(C(N)=O)c1
398249821	ZINC000390798994	mid	1.18	-8.02	0	232.349	0.576	1	3	4	C=CCCS(=O)(=O)N1CCNCC1(C)C
178325123	ZINC000065340692	high	6.57	-46.14	-1	202.228	3.507	0	1	1	Cc1ccc(-c2ccc([O-])c(F)c2)cc1
398249825	ZINC000390801111	ref	2.8	-49.4	1	214.309	0.479	1	2	3	COC[C@@H](C)C(=O)N1CC[NH2+]CC1(C)C
178325129	ZINC000254286883	ref	3.92	-6.38	0	238.29	2.614	2	2	1	Cc1ccc(-c2ccc3c(c2)[C@H](N)C(=O)N3)cc1
178325131	ZINC000254286883	mid	4.24	-48.09	1	238.29	2.614	2	1	1	Cc1ccc(-c2ccc3c(c2)[C@H]([NH3+])C(=O)N3)cc1
214201143	ZINC000053831462	ref	6.96	-46.55	1	326.259	3.632	1	2	5	COc1ccc(C[C@H]([NH3+])Cc2ccc(Br)s2)cc1
214201149	ZINC000053845037	ref	8.49	-29.24	0	328.393	2.984	1	5	3	COC(=O)Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[nH]1
342089644	ZINC000621364907	ref	4.93	-39.13	1	276.38	1.964	3	2	4	C[C@@H]1CC[N@@H+]([C@H](C)C(=O)Nc2ccccc2)C[C@H]1CO
178325139	ZINC000016946474	ref	6.91	-8.73	0	212.248	3.18	1	2	2	Cc1ccc(-c2ccc(O)c(C=O)c2)cc1
214201154	ZINC000053845037	high	8.07	-50.41	-1	328.393	2.984	0	5	3	COC(=O)Cc1nc(=O)c2c(-c3ccc(C)c(C)c3)csc2[n-]1
214201156	ZINC000053830935	ref	7.44	-37.15	1	326.259	3.632	1	2	5	COc1ccccc1C[C@H]([NH3+])Cc1ccc(Br)s1
398249828	ZINC000390801111	high	1.59	-5.87	0	214.309	0.479	1	3	3	COC[C@@H](C)C(=O)N1CCNCC1(C)C
398249831	ZINC000390797257	ref	7.23	-37.15	1	219.328	3.312	1	1	6	C/C=C\C[NH2+][C@@H](CC)c1ccc(OC)cc1
214201160	ZINC000053837533	ref	4.19	-13.38	0	343.349	1.643	1	3	4	CC(=O)NCc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1
214201166	ZINC000053843880	ref	8.26	-40.11	0	337.404	3.454	2	4	4	CCc1cc2c(=O)nc(CC(=O)c3c[nH]c4ccccc34)[nH]c2s1
365650535	ZINC000641615594	ref	4.72	-11.41	0	273.34	1.278	1	6	3	Cn1nccc1-c1ccc(N[C@@H]2CCOC2(C)C)nn1
214201169	ZINC000053843880	high	7.84	-63.2	-1	337.404	3.454	1	4	4	CCc1cc2c(=O)nc(CC(=O)c3c[nH]c4ccccc34)[n-]c2s1
178325144	ZINC000016946474	high	7.91	-50.34	-1	212.248	3.18	0	2	2	Cc1ccc(-c2ccc([O-])c(C=O)c2)cc1
178325147	ZINC000065350144	ref	6.34	-49.35	-1	246.237	3.205	1	3	2	Cc1ccc(-c2ccc(O)c(F)c2)c(C(=O)[O-])c1
398249834	ZINC000390797257	high	6.29	-3.22	0	219.328	3.312	1	2	6	C/C=C\CN[C@@H](CC)c1ccc(OC)cc1
398254086	ZINC000381611507	ref	3.88	-41.02	1	218.291	1.845	1	1	2	[NH3+][C@@H]1CCN(C[C@H]2CCCCC2(F)F)C1
282123751	ZINC000246589368	ref	5.12	-45.56	1	311.426	0.916	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCO1
210256221	ZINC000019524223	ref	9.01	-27.04	0	380.408	1.047	1	8	4	CCn1c(=O)n(CC(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)c2cccnc21
210256232	ZINC000019526461	ref	5.29	-19.37	0	395.529	1.147	0	5	5	CCN(CC)S(=O)(=O)N1CCC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1
365650536	ZINC000354729044	ref	1.62	-41.31	1	281.36	1.033	3	4	3	COc1nn(C)cc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1
342602781	ZINC000617005834	ref	6.88	-39.85	1	292.427	1.588	2	3	5	C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602782	ZINC000617005834	mid	5.76	-40.46	1	292.427	1.588	2	3	5	C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602783	ZINC000617005834	high	3.87	-10.38	0	292.427	1.588	1	4	5	C[C@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CCN1C(C)(C)C
282123770	ZINC000246589368	high	2.58	-9.36	0	311.426	0.916	1	4	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@H]32)CCO1
342602784	ZINC000617006147	ref	4.51	-36.66	1	266.341	1.891	2	3	4	COc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)o1
290624416	ZINC000493421922	ref	5.33	-13.89	0	316.357	1.271	2	4	6	CNC(=O)c1ccc(/C=C\C(=O)NC2(CC(=O)OC)CC2)cc1
342602785	ZINC000617006147	mid	5.76	-36.55	1	266.341	1.891	2	3	4	COc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)o1
342602786	ZINC000617006147	mid	2.74	-6.99	0	266.341	1.891	1	4	4	COc1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)o1
303960132	ZINC000563545814	ref	7.72	-63.61	1	312.417	1.812	1	3	4	C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1cncn1Cc1ccccc1
342602787	ZINC000617006126	ref	4.66	-39.05	1	254.374	1.544	2	2	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCCO1
197610195	ZINC000163088730	ref	6.98	-16.2	0	310.806	2.259	1	3	3	CC1CC(=O)N(Cc2ccc(C(N)=S)cc2Cl)C(=O)C1
342602788	ZINC000617006126	mid	6.22	-38.77	1	254.374	1.544	2	2	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)C[C@H]1CCCO1
398249826	ZINC000381273172	ref	3.58	-106.79	2	228.38	1.907	2	1	6	CC[C@H](C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)OC
398249829	ZINC000381273172	high	2.32	-44.19	1	228.38	1.907	2	2	6	CC[C@H](C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)OC
197610197	ZINC000163087353	ref	4.54	-14.22	0	318.373	1.661	1	4	4	CC(=O)N1CC[C@H](C(=O)Nc2ccccc2O[C@@H]2CCOC2)C1
212173429	ZINC000335495911	ref	3.42	-15.49	0	256.252	2.098	0	3	3	COc1ccc(N(C)C(=O)[C@]2(C)CC2(F)F)cn1
212173435	ZINC000335494935	ref	8.71	-16.3	0	284.334	3.099	0	2	3	Cc1c(C(=O)N2CC(CF)C2)cccc1-c1ccccn1
212173445	ZINC000335495185	ref	5.4	-34.21	1	282.819	2.134	1	3	2	Cn1cc(Cl)c(CN2CCC3(CCC[N@@H+]3C)CC2)n1
185091535	ZINC000096081529	ref	5.72	-41.18	1	291.395	1.264	1	3	4	CN(C)C(=O)C[N@@H+]1C[C@H]2CCCN(Cc3ccoc3)[C@H]2C1
342089645	ZINC000621364907	mid	4.83	-35.24	1	276.38	1.964	3	2	4	C[C@@H]1CC[N@H+]([C@H](C)C(=O)Nc2ccccc2)C[C@H]1CO
342089646	ZINC000621364907	mid	2.86	-12.29	0	276.38	1.964	2	3	4	C[C@@H]1CCN([C@H](C)C(=O)Nc2ccccc2)C[C@H]1CO
214201145	ZINC000337660841	mid	3.88	-31.63	0	264.325	0.248	2	4	5	C[N@@H+](CC(=O)[O-])[C@@H]1CN(Cc2ccccc2)C[C@@H]1O
214201148	ZINC000337660624	ref	2.62	-9.12	0	278.343	2.272	3	2	6	CCC[C@@H](O)CNC(=O)NC[C@H]1CCCC(F)(F)C1
342089647	ZINC000034633233	ref	6.37	-11.79	0	252.27	1.029	0	6	3	COC(=O)c1cc(N(C)C)nc(C)c1C(=O)OC
342089648	ZINC000600315752	ref	3.66	-19.12	0	291.307	1.078	2	4	5	C[C@@H](C(=O)N[C@@H]1C[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1
136230263	ZINC000295475084	ref	4.12	-12.87	0	227.304	0.812	1	3	7	C#CCO[C@H](C)C(=O)NC[C@@H](OC)C(C)C
136230264	ZINC000295640205	ref	6.04	-19.7	0	231.251	1.55	1	3	2	C#C[C@H](C)NC(=O)c1coc2c1C(=O)CCC2
365650537	ZINC000623090643	mid	3.9	-39.84	1	318.421	1.237	2	5	9	COc1ccc(-n2cc(CN(C)CC[N@@H+](C)CCO)cn2)cc1
365650544	ZINC000623090643	high	1.56	-8.86	0	318.421	1.237	1	6	9	COc1ccc(-n2cc(CN(C)CCN(C)CCO)cn2)cc1
342089649	ZINC000600315348	ref	7.24	-41.62	1	258.431	1.976	2	2	5	CC[C@@H](SC)C(=O)NC[C@H]1CCCC[N@H+](C)C1
342089650	ZINC000600315348	mid	7.15	-42.4	1	258.431	1.976	2	2	5	CC[C@@H](SC)C(=O)NC[C@H]1CCCC[N@@H+](C)C1
365650551	ZINC000623090280	ref	4.91	-39.17	1	302.422	1.537	2	4	8	Cc1ccccc1-n1nccc1CN(C)CC[N@H+](C)CCO
365650557	ZINC000623090280	mid	4.91	-38.94	1	302.422	1.537	2	4	8	Cc1ccccc1-n1nccc1CN(C)CC[N@@H+](C)CCO
398254087	ZINC000575451072	mid	0.42	-5.22	0	216.331	0.881	2	5	2	O[C@@H](c1ccns1)[C@@H]1CSCCN1
185091536	ZINC000096081529	mid	5.47	-39.91	1	291.395	1.264	1	3	4	CN(C)C(=O)C[N@H+]1C[C@H]2CCCN(Cc3ccoc3)[C@H]2C1
185091538	ZINC000096081529	mid	5.36	-41.82	1	291.395	1.264	1	3	4	CN(C)C(=O)CN1C[C@H]2CCC[N@H+](Cc3ccoc3)[C@H]2C1
342089651	ZINC000600316627	ref	2.85	-20.81	0	297.698	1.242	2	4	4	NC(=O)[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)C1
342089652	ZINC000621364910	ref	5.88	-40.36	1	290.407	1.839	2	2	4	C[C@H]1CC[N@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CO
192340746	ZINC000421455794	ref	6.05	-10.44	0	219.288	1.795	1	3	2	Cn1nccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
136230265	ZINC000295635170	ref	6.41	-15.95	0	227.279	1.375	0	2	3	C#CCO[C@H](C)C(=O)N1CCC[C@](C)(F)C1
342089653	ZINC000621364910	mid	5.65	-38.31	1	290.407	1.839	2	2	4	C[C@H]1CC[N@@H+](Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CO
342089654	ZINC000621364910	high	3.24	-11.57	0	290.407	1.839	1	3	4	C[C@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C[C@H]1CO
342089655	ZINC000600315766	ref	6.44	-12.53	0	297.33	1.915	1	5	6	CCOC(=O)C1(C(=O)Nc2cnn(CCF)c2)CCCC1
342089656	ZINC000588343827	ref	4.28	-15.46	0	285.275	1.631	2	4	7	C[C@H](CF)NC(=O)NCCOc1ccc([N+](=O)[O-])cc1
342089657	ZINC000600315393	ref	6.11	-18.31	0	271.292	1.38	1	5	7	CCOC(=O)[C@H](CC)C(=O)Nc1cnn(CCF)c1
398249827	ZINC000651465787	ref	5.95	-7.72	0	291.42	3.218	2	5	6	CCc1cc2c(NCCC3(CO)CCC3)ncnc2s1
398249830	ZINC000651465627	ref	4.06	-5.04	0	274.286	3.065	2	3	5	OCC1(CCNc2cc(C(F)(F)F)ccn2)CCC1
342089658	ZINC000600315500	ref	5.76	-44.86	1	293.367	1.263	3	3	4	COC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)[nH]1
342089659	ZINC000600315500	mid	5.94	-44.85	1	293.367	1.263	3	3	4	COC(=O)c1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)[nH]1
342089660	ZINC000046855661	ref	7.64	-47.87	1	274.364	1.592	2	2	4	O=C(NCC[NH+]1CCCCC1)[C@H]1Cc2ccccc2O1
342089661	ZINC000046855661	high	5.25	-13.06	0	274.364	1.592	1	3	4	O=C(NCCN1CCCCC1)[C@H]1Cc2ccccc2O1
342089662	ZINC000121755336	ref	4.27	-47.59	1	288.457	1.57	2	2	7	CC[S@@](=O)[C@H]1CCC[C@H](NC(=O)CC[NH2+]C(C)C)C1
342104018	ZINC000047679619	ref	4.15	-8.88	0	250.346	1.798	2	3	3	C[C@@H]1CCCC[C@H]1NC(=O)NCc1ccnn1C
342104019	ZINC000047674840	ref	7.58	-9.37	0	293.367	1.948	1	4	7	COC(=O)CCN(CC(C)C)C(=O)c1cc(C2CC2)n[nH]1
187169795	ZINC000125114142	mid	6.3	-38.76	1	292.427	2.466	1	4	5	Cc1nc(CN2CCC[N@@H+](CCC3CCCC3)CC2)no1
342104020	ZINC000047674840	mid	7.8	-9.16	0	293.367	1.948	1	4	7	COC(=O)CCN(CC(C)C)C(=O)c1cc(C2CC2)[nH]n1
342104021	ZINC000609355324	ref	0.71	-15.14	0	269.301	1.207	2	5	8	COC(=O)CCCCCNC(=O)NCc1cocn1
210256241	ZINC000019527053	ref	10.72	-48.69	1	395.551	3.358	2	4	6	CC[NH+]1CCC(n2nccc2NC(=O)CN2CCC(c3ccccc3)CC2)CC1
219049400	ZINC000097698677	mid	1.89	-44.4	1	329.404	1.048	4	4	6	O=C(NCC[N@@H+]1CCCC[C@@H]1CO)c1cc(-c2ccncc2)n[nH]1
342104022	ZINC000609359120	ref	1.25	-16.15	0	276.252	1.582	2	5	5	O=C(NCc1cccc([N+](=O)[O-])c1)NCc1cocn1
342104023	ZINC000123353114	ref	4.3	-21.28	0	293.754	1.858	2	3	6	CCCNC(=O)CCNC(=O)c1ccc(C#N)c(Cl)c1
342104024	ZINC000041749494	ref	8.73	-16.49	0	287.363	1.995	1	4	8	C[C@@H](OCc1ccccc1)C(=O)NCCCn1ccnc1
365650538	ZINC000576649468	ref	3.49	-6.7	0	213.321	1.556	2	2	5	CC(C)C(=O)N[C@H](C1CC1)C(C)(C)CO
342602789	ZINC000617006126	high	3.31	-11.2	0	254.374	1.544	1	3	4	CC(C)(C)N1CC[C@@H]1CNC(=O)C[C@H]1CCCO1
342602790	ZINC000617005975	ref	4.25	-37.13	1	284.4	1.171	2	3	5	CCO[C@@]1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOC1
197610204	ZINC000290144246	ref	2.73	-16.41	0	255.387	1.07	0	4	2	Cc1cnn(C)c1CN1CC[S@](=O)[C@H](C)[C@@H]1C
342602791	ZINC000617005975	mid	3.19	-37.82	1	284.4	1.171	2	3	5	CCO[C@@]1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOC1
342602792	ZINC000617005975	high	1.67	-4.89	0	284.4	1.171	1	4	5	CCO[C@@]1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOC1
342602793	ZINC000617005937	ref	7.81	-42.08	1	290.411	1.749	2	3	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cc(C2CC2)cn1
342602794	ZINC000617005937	mid	6.31	-44.61	1	290.411	1.749	2	3	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cn1cc(C2CC2)cn1
214201150	ZINC000278510395	ref	6.3	-20.37	0	317.364	2.894	2	4	5	C=C[C@@](C)(O)CC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1
342602795	ZINC000617005937	high	4.76	-13.64	0	290.411	1.749	1	4	5	CC(C)(C)N1CC[C@H]1CNC(=O)Cn1cc(C2CC2)cn1
136230266	ZINC000233222591	ref	4.03	-41.18	1	228.336	1.143	1	2	6	CCCOCC(=O)N1CCCC[C@@H]1CC[NH3+]
136230267	ZINC000295637815	ref	7.88	-9.55	0	221.344	3.041	1	1	7	C#CCCCC(=O)N[C@H](C)CCC=C(C)C
136230268	ZINC000295633973	ref	6.18	-14.86	0	227.329	0.989	0	3	4	C#CCO[C@@H](C)C(=O)N1CC[C@H](SC)C1
342602796	ZINC000617006135	ref	6.96	-40.41	1	290.411	1.9	2	3	4	Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602797	ZINC000617006135	mid	6.12	-42.24	1	290.411	1.9	2	3	4	Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
185091540	ZINC000096081529	mid	5.18	-42.35	1	291.395	1.264	1	3	4	CN(C)C(=O)CN1C[C@H]2CCC[N@@H+](Cc3ccoc3)[C@H]2C1
185091542	ZINC000096081529	mid	3.01	-9.99	0	291.395	1.264	0	4	4	CN(C)C(=O)CN1C[C@H]2CCCN(Cc3ccoc3)[C@H]2C1
342602798	ZINC000617006135	high	4.13	-7.72	0	290.411	1.9	1	4	4	Cn1ncc(C2CC2)c1C(=O)NC[C@H]1CCN1C(C)(C)C
342602799	ZINC000617005813	ref	7.8	-41.42	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1ccnc1
342602800	ZINC000617005813	mid	6.67	-41.6	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1ccnc1
361824066	ZINC000629975019	mid	0.58	-6.61	0	228.336	0.604	3	2	6	CC(C)[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1
136230269	ZINC000295622844	ref	3.94	-8.77	0	245.204	1.197	1	3	3	C#C[C@H](C)NC(=O)c1ccnn1CC(F)(F)F
342602801	ZINC000617005813	low	8.47	-79.71	2	278.4	1.823	2	2	5	C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1cc[nH+]c1
222609547	ZINC000283769880	ref	4.44	-5.75	0	316.401	1.793	2	3	5	C=CCC[C@@H](NC(=O)C(=O)N1CCC[C@@H](O)C1)c1ccccc1
342602802	ZINC000617005813	low	7.35	-79.1	2	278.4	1.823	2	2	5	C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1cc[nH+]c1
342602803	ZINC000617005813	high	4.77	-8.78	0	278.4	1.823	1	4	5	C[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)n1ccnc1
349536048	ZINC000594972477	high	6.65	-6.95	0	258.268	2.962	1	3	6	CC(C)(F)CCNCc1ccc([N+](=O)[O-])cc1F
365650542	ZINC000354729044	mid	1.22	-41.9	1	281.36	1.033	3	4	3	COc1nn(C)cc1NC(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1
398249832	ZINC000649443284	ref	6.11	-46.14	1	239.265	2.973	1	1	3	Cc1cc(OC(F)F)ccc1C1=CC[NH2+]CC1
398249836	ZINC000381288564	ref	2.4	-43.89	1	230.352	1.147	2	2	7	CO[C@@H](CNC(=O)[C@H]([NH3+])CC(C)C)C(C)C
178325150	ZINC000065350144	high	7.11	-115.57	-2	246.237	3.205	0	3	2	Cc1ccc(-c2ccc([O-])c(F)c2)c(C(=O)[O-])c1
398249838	ZINC000381288564	high	1.63	-5.91	0	230.352	1.147	2	3	7	CO[C@@H](CNC(=O)[C@H](N)CC(C)C)C(C)C
178325156	ZINC000086033061	ref	7.02	-4.35	0	217.699	3.898	1	1	1	Cc1ccc(-c2ccc(N)cc2Cl)cc1
178325161	ZINC000016946171	ref	7.23	-50.02	-1	227.263	2.942	1	3	2	Cc1ccc(-c2ccc(N)c(C(=O)[O-])c2)cc1
178325165	ZINC000011946262	ref	6.85	-45.06	1	241.334	3.388	1	1	4	Cc1ccc(-c2ccc(O[C@@H](C)C[NH3+])cc2)cc1
398249841	ZINC000649443279	ref	6.59	-51.29	1	240.306	2.626	2	1	1	Cc1cc(C2=CC[NH2+]CC2)cc2c(=O)cc[nH]c12
398249844	ZINC000381268683	ref	-1.27	-44.06	1	218.297	-0.515	3	3	8	CC[C@@H](C)[C@H](O)CNC(=O)COCC[NH3+]
398249847	ZINC000649443544	ref	6.68	-52.09	1	241.294	1.31	1	3	1	Cn1cnc2cc(C3=CC[NH2+]CC3)ccc2c1=O
214201152	ZINC000337658445	ref	6.3	-15.43	0	297.322	0.385	1	7	5	Cn1nncc1C(=O)NCc1ccccc1Cn1cncn1
214201157	ZINC000337658072	ref	4.58	-25.3	0	250.218	-0.056	2	6	5	O=C(NCCn1cncn1)c1cc([N+](=O)[O-])c[nH]1
214201162	ZINC000337657954	ref	-2.18	-10.35	0	290.36	-0.12	3	5	9	CCOCCNC(=O)NCC1(OCCO)CCOCC1
214201167	ZINC000337660004	ref	6.91	-38.22	1	262.344	2.27	2	1	6	CC[NH+](CC)CC(=O)NC[C@@H]1CCCC(F)(F)C1
214201170	ZINC000337660004	high	4.84	-8.89	0	262.344	2.27	1	2	6	CCN(CC)CC(=O)NC[C@@H]1CCCC(F)(F)C1
178325170	ZINC000065350192	ref	7.3	-45.05	-1	246.237	3.205	1	3	2	Cc1ccc(-c2ccc(F)cc2O)c(C(=O)[O-])c1
178325171	ZINC000065350192	high	8.05	-130.75	-2	246.237	3.205	0	3	2	Cc1ccc(-c2ccc(F)cc2[O-])c(C(=O)[O-])c1
290624419	ZINC000492383564	ref	6.14	-21.04	0	315.398	1.527	1	4	3	CNC(=O)c1ccc(/C=C\C(=O)N2CCSC[C@@H]2C#N)cc1
398249849	ZINC000649443573	ref	8.86	-5.87	0	228.339	3.52	0	2	3	CCc1ccc(CC)c(-c2cnn(C)c2C)c1
398249852	ZINC000381270930	ref	3.62	-40.86	1	207.277	1.32	2	2	4	CCc1cccnc1NC(=O)C[C@H](C)[NH3+]
222609542	ZINC000125790581	mid	5.15	-8.76	0	348.422	1.89	2	3	2	C[C@H]1CNCCN1C(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2F)C1
342602804	ZINC000617006214	ref	5.67	-41.98	1	286.326	1.881	2	3	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccnn1C(F)F
136230270	ZINC000295633378	ref	7.5	-8.06	0	227.307	2.64	1	1	4	C#Cc1ccc(CNC(=O)/C(=C/C)CC)cc1
136230271	ZINC000295625536	ref	2.56	-11.4	0	227.304	0.69	2	3	6	C#CCO[C@@H](C)C(=O)N[C@@H](CC)C(C)(C)O
342602805	ZINC000617006214	mid	4.04	-43.25	1	286.326	1.881	2	3	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C(F)F
342602806	ZINC000617006214	high	2.73	-8.78	0	286.326	1.881	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)c1ccnn1C(F)F
342602807	ZINC000617006143	ref	5.43	-42.16	1	275.396	1.922	2	2	4	Cc1ccncc1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602808	ZINC000617006143	mid	6.67	-42.44	1	275.396	1.922	2	2	4	Cc1ccncc1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
136230272	ZINC000295623303	ref	4.35	-8.36	0	247.338	2.437	2	2	5	C=CC(C)(C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
136230273	ZINC000295460851	ref	4.55	-11.74	0	234.303	1.033	2	3	5	C#CCC(C)(C)C(=O)NCc1nnc(CC)[nH]1
136230274	ZINC000295460851	mid	4.16	-9.53	0	234.303	1.033	2	3	5	C#CCC(C)(C)C(=O)NCc1n[nH]c(CC)n1
185091543	ZINC000096081870	ref	9.42	-93.84	2	276.428	1.83	2	2	4	Cn1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)n1
185091545	ZINC000096081870	mid	9.35	-97.35	2	276.428	1.83	2	2	4	Cn1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)n1
342602809	ZINC000617006143	high	3.65	-10.4	0	275.396	1.922	1	3	4	Cc1ccncc1CC(=O)NC[C@@H]1CCN1C(C)(C)C
342602810	ZINC000617005832	ref	5.75	-40.47	1	292.427	1.588	2	3	5	C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602811	ZINC000617005832	mid	6.99	-40.45	1	292.427	1.588	2	3	5	C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602812	ZINC000617005832	high	3.98	-9.83	0	292.427	1.588	1	4	5	C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CCN1C(C)(C)C
214201153	ZINC000278510584	ref	6.55	-9.16	0	311.385	3.013	2	4	6	CNc1ccc(C(=O)N[C@@H](c2ccc(OC)cc2)C2CC2)cn1
342602813	ZINC000617005916	ref	6.48	-42.56	1	295.427	1.446	3	2	6	C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342602814	ZINC000617005916	mid	5.48	-43.26	1	295.427	1.446	3	2	6	C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
136230275	ZINC000295471406	ref	5.26	-50.08	-1	213.277	1.119	0	3	7	C#CCO[C@@H](C)C(=O)[N-]OC[C@@H](C)CC
282123752	ZINC000171456994	ref	5.3	-15.41	0	323.356	1.173	2	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3ccccc3[nH]c1=O)CC2
214201158	ZINC000278511321	ref	9.33	-42.85	1	309.475	3.254	1	3	9	COCCSCCC[N@@H+]1CC[C@H](c2ccc(OC)cc2)C1
185091547	ZINC000096081870	high	6.89	-41.98	1	276.428	1.83	1	3	4	Cn1ccc(CN2C[C@H]3CCC[C@@H](C[NH+](C)C)[C@H]3C2)n1
185091549	ZINC000096080500	ref	6.28	-47.91	1	274.364	1.366	1	2	5	COCCC(=O)N1C[C@H]2C[N@H+](Cc3ccccc3)[C@@H]2C1
342089663	ZINC000139100927	ref	7.45	-94.18	2	284.444	1.985	2	2	5	C[C@@H]1OCC[NH+](CCCC[N@H+]2CCO[C@H](C)[C@@H]2C)[C@H]1C
342089664	ZINC000139100927	mid	7.31	-95.56	2	284.444	1.985	2	2	5	C[C@@H]1OCC[NH+](CCCC[N@@H+]2CCO[C@H](C)[C@@H]2C)[C@H]1C
214201161	ZINC000278511321	mid	9.34	-42.91	1	309.475	3.254	1	3	9	COCCSCCC[N@H+]1CC[C@H](c2ccc(OC)cc2)C1
214201163	ZINC000278510033	ref	8.59	-13.47	0	312.373	1.889	1	5	4	C[C@H]1CC(=O)CC[C@H]1C(=O)NCc1ncnn1-c1ccccc1
342089665	ZINC000139100927	mid	7.21	-95.76	2	284.444	1.985	2	2	5	C[C@@H]1OCC[N@@H+](CCCC[NH+]2CCO[C@H](C)[C@@H]2C)[C@H]1C
342089666	ZINC000139100927	mid	7.31	-95.56	2	284.444	1.985	2	2	5	C[C@@H]1OCC[N@H+](CCCC[NH+]2CCO[C@H](C)[C@@H]2C)[C@H]1C
290624421	ZINC000492830041	ref	8.44	-54.44	1	341.455	2.145	2	2	4	CNC(=O)c1ccc(/C=C\C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1
342089667	ZINC000139100927	mid	5.05	-35.77	1	284.444	1.985	1	3	5	C[C@@H]1OCC[N@@H+](CCCCN2CCO[C@H](C)[C@@H]2C)[C@H]1C
342089668	ZINC000139100927	mid	5.17	-35.66	1	284.444	1.985	1	3	5	C[C@@H]1OCC[N@H+](CCCCN2CCO[C@H](C)[C@@H]2C)[C@H]1C
214201168	ZINC000278510928	ref	5.08	-10.95	0	317.364	3.173	0	5	4	Cc1nc([C@@H](C)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)no1
210256246	ZINC000019527053	mid	12.89	-104.66	2	395.551	3.358	3	3	6	CC[NH+]1CCC(n2nccc2NC(=O)C[NH+]2CCC(c3ccccc3)CC2)CC1
342089669	ZINC000139100927	mid	5.11	-36.98	1	284.444	1.985	1	3	5	C[C@@H]1OCCN(CCCC[N@@H+]2CCO[C@H](C)[C@@H]2C)[C@H]1C
342089670	ZINC000139100927	mid	5.25	-35.55	1	284.444	1.985	1	3	5	C[C@@H]1OCCN(CCCC[N@H+]2CCO[C@H](C)[C@@H]2C)[C@H]1C
342089671	ZINC000139100927	high	2.96	-3.76	0	284.444	1.985	0	4	5	C[C@@H]1OCCN(CCCCN2CCO[C@H](C)[C@@H]2C)[C@H]1C
342089672	ZINC000621364950	ref	4.61	-9.58	0	278.396	1.775	1	4	4	Cc1cc(C(=O)CN2CC[C@H](C)[C@@H](CO)C2)c(C)n1C
342089673	ZINC000621364950	mid	6.78	-33.37	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c(C)n1C
342089674	ZINC000621364950	mid	6.33	-31.55	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c(C)n1C
342089675	ZINC000621364948	ref	4.41	-11.2	0	278.396	1.775	1	4	4	Cc1cc(C(=O)CN2CC[C@H](C)[C@H](CO)C2)c(C)n1C
342089676	ZINC000621364948	mid	6.8	-33.01	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@H+]2CC[C@H](C)[C@H](CO)C2)c(C)n1C
342089677	ZINC000621364948	mid	6.57	-32.52	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c(C)n1C
365650545	ZINC000641615370	ref	1.64	-10.57	0	297.367	1.502	2	3	5	C[C@]1(CS(=O)(=O)NCC2CCC(O)CC2)CC1(F)F
365650554	ZINC000641615762	ref	-0.85	-30.27	0	296.415	1.438	2	4	7	CCC(C)(C)c1n[n-]c(=NC[C@H]2CCC[N@@H+]2CCCO)o1
342089678	ZINC000621364949	ref	4.64	-11.18	0	278.396	1.775	1	4	4	Cc1cc(C(=O)CN2CC[C@@H](C)[C@H](CO)C2)c(C)n1C
178325172	ZINC000082827028	ref	6.3	-54.37	1	258.281	2.117	1	4	2	[NH3+][C@@H]1CCCc2c1cnn2-c1ccccc1[N+](=O)[O-]
136230276	ZINC000233223426	ref	3.98	-41.57	1	228.336	0.999	1	2	5	CCCOCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+]
136230277	ZINC000295638896	ref	7.04	-18.18	0	247.298	1.124	1	4	5	C#CCO[C@H](C)C(=O)Nc1cccc(N(C)C)n1
365650566	ZINC000641615762	mid	-1.22	-37.76	0	296.415	1.438	2	4	7	CCC(C)(C)c1n[n-]c(=NC[C@H]2CCC[N@H+]2CCCO)o1
214201172	ZINC000278510765	ref	6.15	-18.49	0	300.358	2.155	1	4	4	C[C@@H]1COCC[C@@H]1NC(=O)COc1cccc2cccnc12
349536052	ZINC000093293733	high	2.51	-13.3	0	280.376	0.346	2	5	5	C[C@@H]1CCCN(CCNC(=O)NCc2ncn(C)n2)C1
342089679	ZINC000621364949	mid	6.33	-31.55	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c(C)n1C
342089680	ZINC000621364949	mid	6.78	-33.32	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c(C)n1C
342089681	ZINC000139100816	ref	7.26	-95.03	2	284.444	1.985	2	2	5	C[C@@H]1OCC[NH+](CCCC[N@H+]2CCO[C@H](C)[C@@H]2C)[C@@H]1C
349538777	ZINC000618838682	ref	5.39	-16.94	0	271.32	1.903	1	4	3	Cc1cnn(CC(=O)Nc2ccc3c(c2)CCOC3)c1
136230278	ZINC000295491605	ref	5.01	-16.01	0	213.277	0.518	0	3	6	C#CCO[C@@H](C)C(=O)N(C)C[C@@H](C)OC
136230279	ZINC000233223407	ref	5.97	-50.98	-1	229.276	0.735	0	4	5	CCCOCC(=O)N1CC[C@@H](C(=O)[O-])[C@H]1C
349538781	ZINC000618840586	ref	5.31	-14.86	0	296.334	1.724	3	4	3	C[C@H](NC(=O)N[C@H]1CCc2cc(C#N)ccc21)c1nc[nH]n1
365650574	ZINC000641615762	high	-2.73	-45.22	-1	296.415	1.438	1	5	7	CCC(C)(C)c1n[n-]c(=NC[C@H]2CCCN2CCCO)o1
168365607	ZINC000036890904	ref	7.39	-5.68	0	235.327	3.321	1	3	6	CCC(CC)CNc1cccc(C(=O)OC)c1
136230280	ZINC000233223657	ref	4.05	-46.8	1	228.336	0.856	1	2	5	CCCOCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1
136230281	ZINC000295466692	ref	5.79	-47.03	1	226.32	0.339	2	2	7	C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH+](C)C
136230282	ZINC000295486669	ref	5.83	-10.85	0	217.259	2.341	1	1	7	C#CCCCC(=O)NCCCC(C)(F)F
219048721	ZINC000097696306	ref	6.94	-11.07	0	326.396	2.656	0	4	6	COc1ccc(CN(Cc2ccccn2)C(=O)[C@H]2CCOC2)cc1
219048723	ZINC000097695408	ref	4.99	-10.16	0	336.432	2.591	2	4	8	COCCCOc1ccccc1NC(=O)[C@@H](C)NC(=O)C(C)(C)C
197610224	ZINC000290143354	ref	11.21	-11.27	0	297.406	2.57	0	5	3	Cn1c(Cc2ccccn2)nnc1N1CCC[C@H]2CCC[C@H]21
342602815	ZINC000617005916	high	3.51	-14.85	0	295.427	1.446	2	3	6	C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H]1CCN1C(C)(C)C
342602816	ZINC000617005976	ref	3.88	-37.72	1	284.4	1.171	2	3	5	CCO[C@]1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOC1
342602817	ZINC000617005976	mid	3.11	-37.76	1	284.4	1.171	2	3	5	CCO[C@]1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOC1
197610231	ZINC000290143768	ref	1.62	-11.13	0	294.355	0.594	2	5	3	Cn1cc([C@]2(C)NC(=O)N(C[C@H](O)C(C)(C)C)C2=O)cn1
214201175	ZINC000053830622	ref	8.52	-46.16	1	326.184	3.84	1	0	4	[NH3+][C@@H](Cc1cccc(F)c1)Cc1cc(Br)ccc1F
306234760	ZINC000557934472	ref	3.6	-20.32	0	349.353	1.105	2	3	4	O=C1CCC[C@H](C(=O)N[C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)N1
342602818	ZINC000617005976	high	1.05	-7.61	0	284.4	1.171	1	4	5	CCO[C@]1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOC1
342602819	ZINC000590878603	ref	6.2	-15.97	0	295.383	1.447	1	5	7	COC(=O)CC(C)(C)CC(=O)N[C@H](C)Cc1cnn(C)c1
342602820	ZINC000617005919	ref	3.92	-41.44	1	291.395	1.69	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2
342602821	ZINC000617005919	mid	5.49	-41.64	1	291.395	1.69	3	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2
342602822	ZINC000617005919	high	2.59	-10.64	0	291.395	1.69	2	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc2c([nH]1)CCOC2
197610239	ZINC000290145765	ref	4.52	-9.87	0	293.411	1.426	1	4	5	CCc1c(C(=O)N[C@@H](C)[C@H](C)N2CCOCC2)ccn1C
197610242	ZINC000290145765	low	6.52	-39.29	1	293.411	1.426	2	3	5	CCc1c(C(=O)N[C@@H](C)[C@H](C)[NH+]2CCOCC2)ccn1C
342602823	ZINC000590878586	ref	3.65	-18.74	0	284.319	1.358	2	5	4	C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc(O)cc(C#N)c1
342602824	ZINC000590878586	mid	4.4	-39.6	-1	284.319	1.358	1	5	4	C[C@@H](Cc1cnn(C)c1)NC(=O)c1cc([O-])cc(C#N)c1
178325174	ZINC000065340013	ref	6.29	-5.06	0	218.683	4.021	1	1	1	Cc1ccc(-c2ccc(O)cc2)c(Cl)c1
214201185	ZINC000053841517	ref	11.16	-16.95	0	343.456	3.387	1	6	7	CCCCc1c(C)nc2nc(SCC(=O)c3ccc[nH]3)nn2c1C
342609862	ZINC000590927432	ref	2.61	-13.56	0	259.309	1.442	3	3	3	C[C@H](NC(=O)N[C@@H]1C[C@H](O)C1)c1cccc(C#N)c1
349536053	ZINC000594971114	ref	8.23	-51.16	1	298.289	2.622	1	3	8	O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCO[C@@H]1CC1(F)F
214201176	ZINC000293786693	ref	2.61	-19.31	0	359.473	0.613	1	5	5	COC[C@@H]1CCN1C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1
214201182	ZINC000293790352	ref	2.33	-9.63	0	353.415	0.489	1	7	9	COCCc1ccc(OC[C@H](O)CN2CCOC[C@@H]2C(=O)OC)cc1
342089682	ZINC000139100816	mid	7.12	-96.46	2	284.444	1.985	2	2	5	C[C@@H]1OCC[NH+](CCCC[N@@H+]2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089683	ZINC000139100816	mid	7.26	-95.04	2	284.444	1.985	2	2	5	C[C@@H]1OCC[N@@H+](CCCC[NH+]2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089684	ZINC000139100816	mid	7.12	-96.46	2	284.444	1.985	2	2	5	C[C@@H]1OCC[N@H+](CCCC[NH+]2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089685	ZINC000139100816	mid	5.1	-35.15	1	284.444	1.985	1	3	5	C[C@@H]1OCC[N@@H+](CCCCN2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089686	ZINC000139100816	mid	4.97	-36.56	1	284.444	1.985	1	3	5	C[C@@H]1OCC[N@H+](CCCCN2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089687	ZINC000139100816	mid	4.97	-36.46	1	284.444	1.985	1	3	5	C[C@@H]1OCCN(CCCC[N@@H+]2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089688	ZINC000139100816	mid	5.1	-35.13	1	284.444	1.985	1	3	5	C[C@@H]1OCCN(CCCC[N@H+]2CCO[C@H](C)[C@@H]2C)[C@@H]1C
342089689	ZINC000139100816	high	2.81	-3.3	0	284.444	1.985	0	4	5	C[C@@H]1OCCN(CCCCN2CCO[C@H](C)[C@@H]2C)[C@@H]1C
214201186	ZINC000293780091	ref	4.42	-14.13	0	357.418	0.574	1	7	5	CCn1nc(C)c(C(=O)N[C@@H]2CC(=O)N(C3CC3)[C@H]2c2ccnn2C)n1
214201190	ZINC000293790437	ref	6.55	-64.81	1	366.487	0.895	2	5	8	C[C@H](CNC(=O)Cn1c(CS(C)(=O)=O)nc2ccccc21)C[NH+](C)C
214201194	ZINC000293783507	ref	2.08	-14.5	0	361.402	0.528	2	7	9	COCCOc1ccc(NC(=O)C(=O)NCCCc2cnn(C)n2)cc1
214201202	ZINC000293778858	ref	3.38	-11.19	0	374.397	0.557	3	7	6	CCc1ccc([C@@H](O)CNC(=O)C(=O)Nc2c(C(=O)OC)cnn2C)cc1
290624422	ZINC000492036983	ref	6.96	-14.28	0	342.439	2.479	1	3	3	CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@]3(CCCOC3)C2)cc1
290624424	ZINC000492763185	ref	3.22	-16.22	0	302.374	1.289	2	3	3	CNC(=O)c1ccc(/C=C\C(=O)N2C[C@@H](O)C(C)(C)C2)cc1
342089690	ZINC000069356339	ref	5.43	-10.44	0	269.341	1.261	1	4	3	COC(=O)C1(NC(=O)[C@@H]2CCOC2)CCC(C)CC1
342089691	ZINC000600316832	ref	3.68	-17.45	0	296.367	1.682	2	3	5	CSCc1cc(C(=O)N[C@@H]2C[C@@H](C(N)=O)C2)ccc1F
342089692	ZINC000121778372	ref	4.21	-44.22	1	256.39	1.552	2	2	7	CC(C)[NH2+]CCC(=O)NC[C@H]1CCO[C@@H]1C(C)C
229488168	ZINC000419193845	ref	4.22	-12.8	0	305.765	2.315	1	4	3	C[C@@H]1C(=O)NCCN1Cc1cc(-c2ccccc2Cl)on1
342602825	ZINC000617005966	ref	4.95	-37.49	1	294.403	1.031	2	5	3	CC(C)(C)n1nnc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1
197610236	ZINC000163080508	ref	3.72	-10.96	0	303.387	2.228	1	5	4	O=C(c1ccc(NCc2nccs2)cc1)N1CCOCC1
349536057	ZINC000594971114	high	6.79	-11.59	0	298.289	2.622	1	4	8	O=[N+]([O-])c1ccccc1/C=C/CNCCO[C@@H]1CC1(F)F
342602826	ZINC000617005966	mid	3.82	-38.13	1	294.403	1.031	2	5	3	CC(C)(C)n1nnc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1
342602827	ZINC000617005966	mid	2.51	-9.33	0	294.403	1.031	1	6	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1nnn(C(C)(C)C)n1
197610241	ZINC000163077716	ref	8.96	-14.35	0	306.435	2.804	0	6	4	CC(C)CCC1CCN(c2nn3c(=O)ccnc3s2)CC1
398249833	ZINC000651465627	low	4.54	-35.13	1	274.286	3.065	2	2	5	OCC1(CCNc2cc(C(F)(F)F)cc[nH+]2)CCC1
197610244	ZINC000163078388	ref	4.57	-43.53	1	306.406	1.716	2	3	8	CCOc1cccc(CNC(=O)C[NH2+][C@@H](C)[C@@H]2CCOC2)c1
365650546	ZINC000354729044	high	-0.7	-8.8	0	281.36	1.033	2	5	3	COc1nn(C)cc1NC(=O)N[C@H]1CCN(C)[C@@H](C)C1
178325178	ZINC000065340736	ref	6.47	-5.53	0	216.255	3.815	1	1	1	Cc1ccc(-c2ccc(O)cc2F)c(C)c1
178325182	ZINC000065340736	high	7.24	-42.69	-1	216.255	3.815	0	1	1	Cc1ccc(-c2ccc([O-])cc2F)c(C)c1
365650553	ZINC000354729236	ref	3.58	-45.69	-1	298.412	1.847	1	4	3	CC(C)Cc1n[n-]c(=NC(=O)N[C@H]2CCO[C@H](C)C2)s1
342602828	ZINC000590878560	ref	5.81	-6.61	0	295.339	1.859	1	5	5	CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@@H](CO)CC(C)(C)C
342602829	ZINC000617005792	ref	5.38	-44.28	1	295.427	1.234	2	2	5	CCCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1=O
342602830	ZINC000617005792	mid	6.62	-44.39	1	295.427	1.234	2	2	5	CCCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1=O
398249835	ZINC000651465696	ref	6.42	-33.82	1	276.424	3.098	2	2	6	C[C@@H](CCCCO)[NH2+][C@H]1CCCN(C)c2ccccc21
398249839	ZINC000651467874	ref	9.17	-39.87	1	299.418	3.34	1	3	7	C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1-n1cccn1
178325185	ZINC000002547927	ref	6.61	-8.89	0	214.293	3.6	1	2	1	Cc1ccc(-c2ccc3n[nH]cc3c2)s1
398249842	ZINC000651467276	ref	8.05	-50.72	1	281.346	3.358	1	1	5	Fc1cc(F)c2c(c1)[C@@H]([NH2+]CCC[C@H]1CCOC1)CC2
349536062	ZINC000594970245	ref	8.27	-54.81	1	280.375	2.936	1	3	5	CCc1ncc(C[NH2+]C(C)(C)c2cccc(C#N)c2)cn1
365650561	ZINC000354729165	ref	1.27	-7.99	0	298.427	1.297	2	4	7	CC[C@H](O)CCCNC(=O)[C@H]1COCCN1C1CCCC1
365650567	ZINC000354729165	low	3.28	-33.1	1	298.427	1.297	3	3	7	CC[C@H](O)CCCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1
210256252	ZINC000019527053	high	8.34	-11.95	0	395.551	3.358	1	5	6	CCN1CCC(n2nccc2NC(=O)CN2CCC(c3ccccc3)CC2)CC1
210256261	ZINC000019525941	ref	4.9	-13.69	0	376.526	2.78	0	6	6	CCCn1ncc(CN2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1C
342089693	ZINC000621364947	ref	4.38	-9.6	0	278.396	1.775	1	4	4	Cc1cc(C(=O)CN2CC[C@@H](C)[C@@H](CO)C2)c(C)n1C
210256265	ZINC000019525941	low	7.28	-42.46	1	376.526	2.78	1	5	6	CCCn1ncc(C[N@@H+]2CCC[C@H](c3ncccc3S(C)(=O)=O)C2)c1C
342089694	ZINC000621364947	mid	6.57	-32.59	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c(C)n1C
342089695	ZINC000621364947	mid	6.8	-32.99	1	278.396	1.775	2	3	4	Cc1cc(C(=O)C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c(C)n1C
342089696	ZINC000121778516	ref	3.95	-44.05	1	256.39	1.552	2	2	7	CC(C)[NH2+]CCC(=O)NC[C@H]1CCO[C@H]1C(C)C
342104025	ZINC000041749494	low	9.24	-44.21	1	287.363	1.995	1	3	8	C[C@@H](OCc1ccccc1)C(=O)NCCCn1cc[nH+]c1
342104026	ZINC000047674788	ref	1.34	-8.68	0	266.341	1.654	3	3	6	CC(C)Oc1ccc(CNC(=O)NC[C@@H](C)O)cc1
342104027	ZINC000047675516	ref	2.06	-16.69	0	293.367	1.478	3	3	6	CCOCCCNC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21
178325199	ZINC000082827046	ref	5.81	-56.77	1	258.281	2.117	1	4	2	[NH3+][C@@H]1CCCc2c1cnn2-c1cccc([N+](=O)[O-])c1
342104028	ZINC000047678662	ref	3.16	-16.05	0	269.389	1.636	3	2	5	CC(=O)NCCCNC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C
168365613	ZINC000354494732	ref	5.77	-8.08	0	247.404	2.484	0	2	7	CCC(CC)CS(=O)(=O)N(C)CC1CCC1
168365618	ZINC000001562394	ref	8.95	-5.29	0	206.285	3.28	0	2	5	CCC(CC)COC(=O)c1ccccc1
342104029	ZINC000625403365	ref	4.09	-16.37	0	291.438	1.464	0	4	2	C[C@H]1OCC[C@H]1S(=O)(=O)N1CC[C@H]2CC[C@@H](C1)S2
342104030	ZINC000041724423	ref	3.35	-15.51	0	296.352	1.593	4	4	3	CCOC(=O)NNC(=S)Nc1ccc(NC(C)=O)cc1
168365624	ZINC000301729576	ref	6.66	-5.93	0	225.361	3.264	1	4	6	CCC(CC)CNc1nnc(C2CC2)s1
168365631	ZINC000042337629	ref	6.36	-3.11	0	225.307	3.682	1	2	6	CCC(CC)CNc1ccc(F)cc1OC
168365634	ZINC000301900970	ref	7.63	-5.48	0	207.321	2.942	1	3	5	CCC(CC)CNc1ncc(C)c(C)n1
168365641	ZINC000083379668	ref	8.05	-5.59	0	248.395	4.453	1	3	5	CCC(CC)CNc1nc2c(C)cccc2s1
168365644	ZINC000001696908	ref	9.92	-3.77	0	226.36	3.936	0	2	6	CCC(CC)COC(=O)CC1CCCCC1
342104031	ZINC000310313385	ref	1.43	-41.86	-1	275.399	1.362	1	4	5	CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1ncc[n-]1
342104032	ZINC000310313385	mid	1.92	-13.91	0	275.399	1.362	2	4	5	CCS[C@@H]1CCC[C@H]1NS(=O)(=O)c1ncc[nH]1
365650547	ZINC000336563548	low	7.17	-104.76	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1
365650550	ZINC000336563548	low	7.17	-101.15	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1
365650556	ZINC000336563422	ref	4.34	-11.29	0	289.375	2.176	1	3	2	CC1(C)[C@H](O)CCN1C(=O)c1cccc([C@H]2CCOC2)c1
365650564	ZINC000336563326	ref	7.82	-7.82	0	259.353	2.135	1	4	3	O=c1c(NC2CCC3(CC2)CC3)nccn1C1CC1
365650572	ZINC000336563419	ref	4.36	-11.8	0	289.375	2.176	1	3	2	CC1(C)[C@@H](O)CCN1C(=O)c1cccc([C@@H]2CCOC2)c1
365650581	ZINC000336563700	ref	6.03	-12.02	0	289.375	2.437	1	3	3	CO[C@H](C(=O)N1Cc2ccc(O)cc2C2(CC2)C1)C(C)C
365650587	ZINC000336563688	ref	7.2	-7.61	0	263.381	2.452	0	2	2	O=C(N1C[C@H]2CCC[C@@H]2C1)C1(C2CC2)CCOCC1
365650593	ZINC000336563425	ref	1.3	-43.52	-1	279.293	2.141	0	5	4	O=S(=O)([N-]c1cnn(C(F)F)c1)c1cccs1
178325193	ZINC000065340768	ref	6.07	-7.4	0	220.218	3.646	1	1	1	Cc1ccc(-c2ccc(O)cc2F)c(F)c1
365650602	ZINC000336563425	low	1.28	-12.17	0	279.293	2.141	1	5	4	O=S(=O)(Nc1cnn(C(F)F)c1)c1cccs1
365650609	ZINC000336563356	ref	3.69	-43.28	1	275.396	2.054	2	2	3	Cc1ccc(NC(=O)[C@H](C)N2CCC([NH3+])CC2)c(C)c1
365650618	ZINC000336563356	low	5.91	-108.72	2	275.396	2.054	3	1	3	Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([NH3+])CC2)c(C)c1
178325195	ZINC000065340768	high	6.84	-45.21	-1	220.218	3.646	0	1	1	Cc1ccc(-c2ccc([O-])cc2F)c(F)c1
398249837	ZINC000390790955	ref	1.25	-40.18	1	212.293	0.278	2	2	2	C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1[NH2+]CC1(C)C
398249840	ZINC000390790955	high	-0.37	-6.62	0	212.293	0.278	2	3	2	C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1NCC1(C)C
398249843	ZINC000390800192	ref	5.2	-39.54	1	237.372	2.33	1	3	3	Cc1nccnc1[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C
199273355	ZINC000181264193	ref	5.46	-8.31	0	303.406	2.593	2	4	6	COCCNC(=O)c1ccc(N[C@H]2CC23CCCCC3)nc1
178325209	ZINC000095728324	ref	9.24	-45.02	-1	218.296	4.09	0	1	1	Cc1ccc(-c2ccc([S-])cc2)cc1F
365650626	ZINC000336563174	ref	2.63	-16.45	0	282.384	2.356	1	3	3	COC1(C)CCN(C(=O)[C@H]2CCC[C@@H](C(N)=O)C2)CC1
365650632	ZINC000336563170	ref	4.03	-14.51	0	276.336	2.221	2	3	2	CC(=O)Nc1ccc(O)c(C(=O)N2C[C@H](C)C[C@H]2C)c1
178325211	ZINC000095728324	low	8.7	-4.2	0	218.296	4.09	1	1	1	Cc1ccc(-c2ccc(S)cc2)cc1F
349538778	ZINC000602465668	mid	4.67	-7.77	0	243.347	1.685	0	4	6	CC[C@@H](C)[C@H](CN1CCC[C@H]1C(=O)OC)OC
365650637	ZINC000336563170	high	5.0	-64.07	-1	276.336	2.221	1	3	2	CC(=O)Nc1ccc([O-])c(C(=O)N2C[C@H](C)C[C@H]2C)c1
342089697	ZINC000308664063	ref	5.17	-37.94	1	282.413	1.72	3	4	4	CC(C)(C[NH+]1CCCCC1)NC(=O)c1csc(N)n1
342089698	ZINC000308664063	high	3.26	-6.12	0	282.413	1.72	2	5	4	CC(C)(CN1CCCCC1)NC(=O)c1csc(N)n1
342089699	ZINC000600317516	ref	6.77	-12.78	0	297.395	1.992	0	4	3	CC(C)[C@H](C(=O)OC(C)(C)C)C(=O)N1CC2(CCCO2)C1
342089700	ZINC000600317310	ref	5.36	-14.42	0	293.319	1.309	0	5	3	COC(=O)Cc1occ(C)c1C(=O)N1CC2(CCCO2)C1
192340749	ZINC000421454723	ref	5.63	-11.14	0	237.347	2.218	1	3	6	CCC[C@H](CC)NC(=O)[C@@H](C)c1ccnn1C
197610247	ZINC000290145301	ref	4.11	-10.97	0	280.343	1.539	2	3	5	CC[C@H](CO)NC(=O)[C@@H]1CCN(c2ccccc2F)C1
343995679	ZINC000599276976	ref	1.76	-10.42	0	297.355	1.083	1	7	7	CCOC(=O)C[C@@H](O)CN1CCC[C@@H]1c1noc(CC)n1
349536061	ZINC000621244254	ref	5.68	-10.26	0	262.353	2.004	1	2	4	COC[C@H](C)NC(=O)N1CC(C)(c2ccccc2)C1
365650552	ZINC000576648661	ref	3.36	-15.5	0	223.276	1.434	1	4	7	C=CCOCCCn1cc(NC(C)=O)cn1
168367873	ZINC000359772950	ref	4.6	-9.15	0	247.404	2.532	1	2	8	CCC(CC)CS(=O)(=O)NCCC1(C)CC1
365650560	ZINC000576648134	ref	2.15	-11.15	0	237.303	0.68	2	4	4	CCn1ccnc1CNC(=O)[C@@H]1CC[C@@H](O)C1
365650571	ZINC000576648134	low	2.76	-36.7	1	237.303	0.68	2	3	4	CCn1cc[nH+]c1CNC(=O)[C@@H]1CC[C@@H](O)C1
365650579	ZINC000576651797	ref	4.66	-10.98	0	220.272	1.349	0	3	3	CC[C@H](OC)C(=O)N1Cc2cccnc2C1
365650596	ZINC000576648630	ref	6.7	-6.58	0	249.358	2.277	1	4	5	Cc1ncc(C)c(NCCC[C@@H]2CCCCO2)n1
365650604	ZINC000576648630	low	7.15	-29.25	1	249.358	2.277	1	3	5	Cc1nc(NCCC[C@@H]2CCCCO2)c(C)c[nH+]1
365650611	ZINC000576650497	ref	0.6	-18.0	0	222.248	-0.102	1	3	3	O=C(CN1CN=NC1=O)N[C@@H]1[C@H]2CCC[C@H]21
365650621	ZINC000176025440	ref	6.32	-9.11	0	216.284	2.375	1	2	3	Cc1cnccc1NC(=O)[C@@H]1C[C@H]1C1CC1
365650631	ZINC000176025440	low	6.78	-33.88	1	216.284	2.375	1	1	3	Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@H]1C1CC1
365650642	ZINC000576651660	ref	10.36	-39.94	1	243.394	3.958	1	0	4	C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1
365650650	ZINC000576648248	ref	7.37	-6.17	0	235.258	3.264	0	3	4	CCc1nocc1COc1cc(F)ccc1C
365650660	ZINC000576649967	ref	0.6	-14.09	0	239.275	-0.157	2	3	3	CC1(C)NC(=O)N(CC[C@H]2CCNC2=O)C1=O
342089701	ZINC000008006333	ref	5.6	-26.35	0	268.288	1.83	2	3	6	CCCCNC(=O)NC(=O)COc1ccccc1F
342089702	ZINC000621365979	ref	3.69	-6.75	0	251.374	1.914	1	4	4	CC(C)n1ccnc1CN1CC[C@H](C)[C@@H](CO)C1
168367881	ZINC000104225830	ref	7.65	-7.95	0	231.299	2.214	0	3	4	CCC(CC)N(C)C(=O)c1ccc(C#N)cn1
185091551	ZINC000096080500	mid	6.86	-47.25	1	274.364	1.366	1	2	5	COCCC(=O)N1C[C@H]2C[N@@H+](Cc3ccccc3)[C@@H]2C1
349536066	ZINC000621244253	ref	5.68	-9.98	0	262.353	2.004	1	2	4	COC[C@@H](C)NC(=O)N1CC(C)(c2ccccc2)C1
349536070	ZINC000621246490	ref	5.58	-35.29	1	253.777	2.261	1	2	3	C[NH+](C)C1CCN(Cc2cncc(Cl)c2)CC1
190495124	ZINC000269449823	ref	7.46	-10.76	0	289.423	3.236	1	2	6	CCC1(CC)CCN(C(=O)NCCCc2ccccn2)C1
342089703	ZINC000621365979	mid	5.41	-34.22	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1
365650558	ZINC000625119307	low	4.81	-39.66	1	312.435	2.02	1	5	5	Cc1csc([C@H]2C[N@@H+](CCOC3CCOCC3)CCO2)n1
178328091	ZINC000237746250	mid	2.86	-22.31	0	370.862	1.535	2	6	6	Cc1cc(NC(=O)[C@@H](N)CCS(C)(=O)=O)nn1-c1ccccc1Cl
185091553	ZINC000096080500	mid	2.75	-8.91	0	274.364	1.366	0	3	5	COCCC(=O)N1C[C@@H]2[C@@H](C1)CN2Cc1ccccc1
178328094	ZINC000237754939	ref	4.72	-50.93	1	365.384	1.988	1	5	5	Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1-c1ccc(OC(F)F)cc1
178328096	ZINC000237757156	ref	4.18	-42.28	1	368.275	1.685	3	2	5	C[C@]1(C(=O)NCCNC(=O)c2cccc(Br)c2)CCC[NH2+]C1
398249845	ZINC000651465618	ref	3.84	-7.81	0	289.404	3.17	2	5	6	OCC1(CCNc2cncc(-c3cccs3)n2)CCC1
178328101	ZINC000237749317	ref	9.17	-54.78	1	374.51	1.936	1	5	3	C[C@H]1CN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@@H](C)C[NH2+]1
349536073	ZINC000621245089	ref	7.15	-15.01	0	290.392	2.496	1	4	3	Cc1cc(NC(=O)N2CC(Cc3ccsc3)C2)n(C)n1
398249848	ZINC000651467317	ref	7.75	-46.52	1	293.455	3.414	1	3	6	Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCC[C@@H]1CCOC1
342089704	ZINC000621365979	mid	5.44	-35.75	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@H+]1CC[C@H](C)[C@@H](CO)C1
342089705	ZINC000600317515	ref	6.76	-15.78	0	297.395	1.992	0	4	3	CC(C)[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC2(CCCO2)C1
342089706	ZINC000588344178	ref	5.54	-19.96	0	292.335	1.197	1	5	6	CCN1CCc2ccc(NC(=O)COCC(=O)OC)cc21
342089707	ZINC000310102671	ref	3.48	-6.46	0	296.168	1.924	1	4	2	N#Cc1cc(Br)cnc1N1CCC[C@@H](CO)C1
342089708	ZINC000600317348	ref	6.25	-14.58	0	299.367	1.125	0	5	3	CO[C@](C)(C(=O)OC(C)(C)C)C(=O)N1CC2(CCCO2)C1
342089709	ZINC000621365978	ref	3.36	-6.64	0	251.374	1.914	1	4	4	CC(C)n1ccnc1CN1CC[C@@H](C)[C@H](CO)C1
342089710	ZINC000621365978	mid	5.91	-33.9	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1
342089711	ZINC000621365978	mid	5.31	-34.66	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@H+]1CC[C@@H](C)[C@H](CO)C1
178325213	ZINC000049815857	ref	6.31	-43.24	1	215.296	3.583	1	1	2	Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)cc1C
230762989	ZINC000425893373	ref	6.76	-5.5	0	300.468	2.283	1	3	6	CSCCCCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C
230762995	ZINC000425895317	ref	3.13	-48.87	1	302.378	2.297	2	5	6	c1c(C2CC[NH2+]CC2)noc1CNCc1cnc(C2CC2)o1
230762999	ZINC000425895317	low	4.5	-107.0	2	302.378	2.297	2	4	6	c1c(C2CC[NH2+]CC2)noc1C[NH2+]Cc1cnc(C2CC2)o1
365650559	ZINC000274399544	ref	4.38	-50.1	1	267.76	1.891	3	1	3	Cc1cc(Cl)ccc1C[N@@H+]1CC[C@H](NC(N)=O)C1
365650570	ZINC000274399544	mid	4.43	-49.43	1	267.76	1.891	3	1	3	Cc1cc(Cl)ccc1C[N@H+]1CC[C@H](NC(N)=O)C1
178325215	ZINC000049815857	high	5.94	-6.03	0	215.296	3.583	1	2	2	Cc1ccc(-c2ccc([C@H](C)N)o2)cc1C
178325216	ZINC000004050324	ref	7.47	-8.75	0	209.248	3.803	0	2	1	Cc1ccc(-c2ccc3ccccc3n2)o1
398249846	ZINC000390800192	high	3.77	-6.2	0	237.372	2.33	1	4	3	Cc1nccnc1[C@H](C)N[C@@H]1CCS[C@@H]1C
365650578	ZINC000274399544	mid	2.31	-9.1	0	267.76	1.891	2	2	3	Cc1cc(Cl)ccc1CN1CC[C@H](NC(N)=O)C1
365650585	ZINC000274399846	ref	2.5	-13.94	0	263.326	1.858	2	5	4	C[C@@H](CNC(=O)Nc1cncnc1)c1nccs1
365650598	ZINC000274400631	ref	4.77	-7.93	0	271.32	1.625	0	5	1	c1ccc2c(N3CCO[C@]4(CCOC4)C3)ncnc2c1
178325219	ZINC000065340734	ref	6.46	-5.49	0	216.255	3.815	1	1	1	Cc1ccc(-c2ccc(O)c(F)c2)c(C)c1
178325220	ZINC000065340734	high	7.22	-45.98	-1	216.255	3.815	0	1	1	Cc1ccc(-c2ccc([O-])c(F)c2)c(C)c1
398249850	ZINC000335888112	ref	6.91	-10.95	0	249.285	2.891	0	3	3	C[C@@H]1C[C@H](COc2cccc(F)c2C#N)CCO1
178325222	ZINC000049821137	ref	5.71	-7.49	0	228.291	3.033	1	2	4	Cc1ccc(-c2ccc(OCCO)cc2)cc1
342602831	ZINC000617005792	high	3.6	-10.74	0	295.427	1.234	1	3	5	CCCN1C[C@@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1=O
398249857	ZINC000390804806	ref	6.71	-9.74	0	210.321	2.324	0	1	0	CC1(C)CN(C(=O)N2CCCCCC2)C1
190495125	ZINC000269446655	ref	5.66	-15.41	0	298.35	2.348	1	7	5	CCc1nc(CNc2cccc(-c3nnc(C)n3C)c2)no1
178325226	ZINC000041048973	ref	6.1	-7.83	0	214.293	3.177	1	3	1	Cc1ccc(-c2ccc(N)cc2C#N)s1
190495126	ZINC000269444429	ref	3.37	-9.7	0	286.335	2.146	1	5	4	Cc1cncc(/C=C/C(=O)NC(C)(C)c2noc(C)n2)c1
349536067	ZINC000594970245	mid	7.19	-8.27	0	280.375	2.936	1	4	5	CCc1ncc(CNC(C)(C)c2cccc(C#N)c2)cn1
398249861	ZINC000097163159	ref	5.65	-8.93	0	230.267	2.254	1	2	1	Cc1ccc2cc(C(=O)N3CCCO3)[nH]c2c1
365650562	ZINC000623090280	high	2.6	-8.08	0	302.422	1.537	1	5	8	Cc1ccccc1-n1nccc1CN(C)CCN(C)CCO
365650568	ZINC000623090285	ref	5.24	-45.63	1	318.421	1.237	2	5	9	COc1ccccc1-n1nccc1CN(C)CC[N@H+](C)CCO
185091555	ZINC000096081155	ref	2.99	-19.01	0	294.376	0.788	1	3	3	Cc1ccc(CS(=O)(=O)N2CC[C@@H]3NC(=O)C[C@@H]32)cc1
365650576	ZINC000623090285	mid	5.22	-46.14	1	318.421	1.237	2	5	9	COc1ccccc1-n1nccc1CN(C)CC[N@@H+](C)CCO
299072529	ZINC000459277572	ref	4.9	-9.39	0	306.341	2.841	2	4	5	CCOc1cc(F)ccc1NC(=O)N[C@H](C)c1ccn(C)n1
342602832	ZINC000617006148	ref	5.64	-36.52	1	266.341	1.891	2	3	4	COc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)o1
365650580	ZINC000623090285	high	2.93	-10.93	0	318.421	1.237	1	6	9	COc1ccccc1-n1nccc1CN(C)CCN(C)CCO
365650588	ZINC000623090478	ref	4.01	-35.69	1	319.218	1.944	2	2	7	CN(CC[N@H+](C)CCO)Cc1cccc(F)c1Br
342602833	ZINC000617006148	mid	4.51	-36.74	1	266.341	1.891	2	3	4	COc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)o1
365650594	ZINC000623090478	mid	3.99	-34.83	1	319.218	1.944	2	2	7	CN(CC[N@@H+](C)CCO)Cc1cccc(F)c1Br
365650599	ZINC000623090478	high	1.67	-6.49	0	319.218	1.944	1	3	7	CN(CCO)CCN(C)Cc1cccc(F)c1Br
282123753	ZINC000248985028	ref	2.95	-16.26	0	313.419	1.859	1	4	6	Cc1cccc(O[C@H](C)CNS(=O)(=O)[C@@H]2CCO[C@H]2C)c1
365650607	ZINC000623090443	ref	7.04	-86.24	2	319.493	1.549	3	2	9	CN(CC[N@H+](C)CCO)C1CC[NH+](CCc2ccccc2)CC1
197610266	ZINC000163088455	ref	4.96	-12.62	0	306.406	2.371	2	3	9	COCCCCCNC(=O)c1ccc(C(=O)NC(C)C)cc1
178325214	ZINC000237695649	ref	4.36	-54.45	1	359.451	1.708	2	3	4	CN1C(=O)c2cccc3c(S(=O)(=O)NC[C@H]4CCC[NH2+]C4)ccc1c23
185091561	ZINC000096081145	ref	4.21	-12.49	0	281.315	1.338	1	3	1	O=C1C[C@H]2[C@@H](CCN2C(=O)c2ccc3ccccc3n2)N1
197610268	ZINC000163088840	ref	6.44	-8.85	0	318.417	2.296	1	3	5	CCOCCCNC(=O)N1CCO[C@@]2(CCc3ccccc32)C1
212173449	ZINC000335495185	mid	5.4	-34.08	1	282.819	2.134	1	3	2	Cn1cc(Cl)c(CN2CCC3(CCC[N@H+]3C)CC2)n1
212173453	ZINC000335496205	ref	6.69	-8.41	0	256.132	3.276	1	1	2	O=C(N[C@@H]1CC12CC2)c1c(Cl)cccc1Cl
212173459	ZINC000335495996	ref	3.95	-55.7	1	263.341	0.503	2	3	2	Cn1c(C(=O)N[C@H]2CC[NH2+]CC2(C)C)cccc1=O
212173464	ZINC000335494961	ref	4.04	-7.44	0	250.346	0.927	0	4	3	CC(C)Cn1nccc1C(=O)N1CCN(C)CC1
212173467	ZINC000335494961	low	6.43	-45.45	1	250.346	0.927	1	3	3	CC(C)Cn1nccc1C(=O)N1CC[NH+](C)CC1
365650565	ZINC000625121147	ref	4.37	-10.29	0	319.467	2.07	1	4	10	CCO[C@H](CS(=O)(=O)NCCC[C@@H]1CCCCO1)C1CC1
178325217	ZINC000237690043	ref	3.15	-51.14	1	353.85	1.065	2	4	6	O=C(Cc1cc(Cl)c2c(c1)OCCO2)NCCCN1CC[NH2+]CC1
365650569	ZINC000625120124	ref	3.97	-11.38	0	313.463	2.336	2	3	9	CCC(C)(C)CS(=O)(=O)NC[C@H](O)CCc1ccccc1
282123756	ZINC000533475516	ref	3.88	-13.59	0	273.336	1.796	2	3	2	C[C@@H](O)[C@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1
398249851	ZINC000651467820	ref	6.36	-44.33	1	285.338	3.029	1	3	4	C[C@H]1C[C@H]([NH2+]C2CCC(OC(F)F)CC2)c2nccn21
178325221	ZINC000237704934	ref	4.69	-48.28	1	350.85	1.604	3	3	4	O=C1CN(c2ccc(NC(=O)CC3CC[NH2+]CC3)cc2Cl)CCN1
214201177	ZINC000337659623	ref	11.05	-9.74	0	292.404	3.283	0	5	7	CC(C)CSCCCn1c(-c2ccccc2)noc1=O
214201181	ZINC000337660886	ref	3.21	-7.58	0	271.401	2.106	2	3	7	CCOC[C@@H](O)CNC(=O)CC1CCC(C)(C)CC1
214201184	ZINC000337658151	ref	8.09	-42.05	1	268.788	3.401	2	1	7	CCC[N@H+](CC)CCC(=O)Nc1cccc(Cl)c1
178325223	ZINC000237698186	ref	2.39	-71.53	1	371.459	1.958	2	5	6	Cc1sc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)nc1-c1ccc(F)cc1
178325225	ZINC000237698186	mid	2.1	-19.01	0	371.459	1.958	2	6	6	Cc1sc(NC(=O)[C@@H](N)CCS(C)(=O)=O)nc1-c1ccc(F)cc1
214201188	ZINC000337658151	mid	8.08	-41.96	1	268.788	3.401	2	1	7	CCC[N@@H+](CC)CCC(=O)Nc1cccc(Cl)c1
178325228	ZINC000237684454	ref	5.14	-49.9	1	359.449	1.653	2	4	6	Cc1cc(C)n(-c2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc2F)n1
178325231	ZINC000237692306	ref	5.96	-39.15	1	351.397	1.685	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1)[C@@H]1CCC[NH2+]1
178325233	ZINC000237704372	ref	6.96	-52.84	-1	367.402	1.373	0	6	4	Cn1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)cc1C(=O)[O-]
178325237	ZINC000237701632	ref	2.39	-48.3	1	366.314	1.708	2	3	7	O=S(=O)(Cc1cc(Cl)cc(Cl)c1)NCCCN1CC[NH2+]CC1
214201192	ZINC000337659729	ref	9.16	-9.34	0	266.389	2.017	0	5	2	C[C@@H]1CN(c2nnc(CC(C)(C)C)n2C)C[C@@H](C)O1
230239587	ZINC000343215611	ref	-0.99	-17.21	0	276.256	-1.049	4	6	5	O=C(CNC(=O)c1ncccc1O)NCc1nc[nH]n1
230239592	ZINC000343215611	mid	-0.58	-19.36	0	276.256	-1.049	4	6	5	O=C(CNC(=O)c1ncccc1O)NCc1nnc[nH]1
230239596	ZINC000343215611	mid	0.01	-56.69	-1	276.256	-1.049	3	6	5	O=C(CNC(=O)c1ncccc1[O-])NCc1nc[nH]n1
230239599	ZINC000343215611	mid	0.42	-57.91	-1	276.256	-1.049	3	6	5	O=C(CNC(=O)c1ncccc1[O-])NCc1nnc[nH]1
342602834	ZINC000617006148	mid	2.62	-7.0	0	266.341	1.891	1	4	4	COc1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)o1
178325227	ZINC000038069464	ref	7.17	-5.99	0	239.318	3.568	1	2	1	Cc1ccc(-c2ccc3c(c2)C[C@H](C)O3)cc1N
398249853	ZINC000651467820	high	5.47	-7.26	0	285.338	3.029	1	4	4	C[C@H]1C[C@H](NC2CCC(OC(F)F)CC2)c2nccn21
342602835	ZINC000590878507	ref	8.2	-7.48	0	278.352	1.726	1	4	6	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCn1cccc1
282123757	ZINC000449156282	ref	5.17	-35.09	1	252.402	2.019	1	2	5	COCCN1CC[C@@H]([NH2+][C@H]2CCCC23CCC3)C1
197610269	ZINC000290144287	low	6.72	-11.28	0	275.245	2.999	1	1	2	Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](F)C(F)(F)F
178325229	ZINC000065340370	ref	4.47	-7.25	0	228.247	3.096	1	3	1	Cc1ccc(-c2ccc3c(c2)OCO3)cc1O
178325230	ZINC000011960851	ref	9.42	-46.67	-1	242.274	3.125	0	3	4	Cc1ccc(-c2ccc(OCC(=O)[O-])cc2)cc1
214201178	ZINC000278509900	ref	6.43	-6.57	0	303.406	2.8	1	5	4	C[C@H]1CN(c2ccc(NC[C@@H]3CCC=CO3)cn2)C[C@@H](C)O1
214201180	ZINC000278509900	low	6.76	-29.84	1	303.406	2.8	1	4	4	C[C@H]1CN(c2ccc(NC[C@@H]3CCC=CO3)c[nH+]2)C[C@@H](C)O1
214201183	ZINC000278510867	ref	3.22	-12.53	0	303.156	2.273	3	3	4	CC(C)(O)CONC(=O)Nc1ccccc1Br
197610270	ZINC000290144287	low	6.72	-10.98	0	275.245	2.999	1	1	2	Cc1ccc2c(c1)CC[C@@H]2NC(=O)C(F)C(F)(F)F
342602836	ZINC000617005811	ref	7.79	-41.04	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1ccnc1
342602837	ZINC000617005811	mid	6.67	-41.57	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1ccnc1
342602838	ZINC000617005811	low	8.47	-80.19	2	278.4	1.823	2	2	5	C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1cc[nH+]c1
214201187	ZINC000278510867	high	1.72	-50.17	-1	303.156	2.273	2	4	4	CC(C)(O)CON=C([O-])Nc1ccccc1Br
342602839	ZINC000617005811	low	7.35	-79.08	2	278.4	1.823	2	2	5	C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1cc[nH+]c1
342602840	ZINC000617005811	high	4.77	-9.04	0	278.4	1.823	1	4	5	C[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)n1ccnc1
342602841	ZINC000590878568	ref	5.55	-14.71	0	252.358	1.936	1	3	5	CN(C(=O)CC1(C#N)CC1)[C@@H](CO)CC(C)(C)C
342602842	ZINC000617006170	ref	6.96	-39.55	1	292.427	1.903	2	3	5	C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cnn(C)c1
197610286	ZINC000290144761	ref	2.25	-19.14	0	277.711	2.116	0	4	2	Cc1nnc(CC(=O)N2Cc3cccc(Cl)c3C2)o1
342602843	ZINC000617006170	mid	5.84	-39.84	1	292.427	1.903	2	3	5	C[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1cnn(C)c1
398254088	ZINC000077184277	ref	1.21	-8.15	0	240.328	1.417	3	3	4	C[C@](O)(CNC(=O)NC1CC1)c1cccs1
178325232	ZINC000065339939	ref	5.95	-5.97	0	202.228	3.507	1	1	1	Cc1ccc(-c2ccc(O)cc2)c(F)c1
178325234	ZINC000065340924	ref	6.35	-6.68	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(O)c(F)c2)c(Cl)c1
178325235	ZINC000065340924	high	7.12	-46.9	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc([O-])c(F)c2)c(Cl)c1
398249854	ZINC000381276497	ref	4.26	-43.52	1	221.348	1.82	2	2	6	Cc1cc(CN[C@@H](C)CC[NH+](C)C)ccn1
398249858	ZINC000381276497	mid	6.72	-111.17	2	221.348	1.82	2	1	6	Cc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)ccn1
178325240	ZINC000049830910	ref	7.86	-53.3	-1	242.274	3.374	1	3	2	Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)c(C)c1
178325242	ZINC000065339240	ref	6.19	-13.81	0	219.671	3.004	1	1	1	Cc1ccc(-c2ccc[nH]c2=O)cc1Cl
178325244	ZINC000011946268	ref	6.89	-44.81	1	241.334	3.388	1	1	4	Cc1ccc(-c2ccc(O[C@H](C)C[NH3+])cc2)cc1
168365620	ZINC000368501984	ref	6.9	-15.87	0	332.403	3.24	2	3	2	Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@H]2O)c2nccc(C)c2c1
365650575	ZINC000354729165	low	3.52	-35.9	1	298.427	1.297	3	3	7	CC[C@H](O)CCCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1
365650583	ZINC000354729650	ref	-0.23	-10.84	0	265.273	1.299	2	6	4	COc1nn(C)cc1NC(=O)N[C@H](C)c1ccon1
365650590	ZINC000354730322	ref	-0.02	-10.89	0	284.4	1.388	4	3	4	O=C(NC[C@H]1CCC[C@H](CO)C1)NC1CCC(O)CC1
398249860	ZINC000381276497	mid	4.26	-43.52	1	221.348	1.82	1	2	6	Cc1cc(C[NH2+][C@@H](C)CCN(C)C)ccn1
214201189	ZINC000278510867	high	2.4	-48.18	-1	303.156	2.273	2	3	4	CC(C)(O)CO[N-]C(=O)Nc1ccccc1Br
219049401	ZINC000350698548	mid	4.55	-8.06	0	278.783	2.441	1	2	4	O=C(CN1C[C@@H]2CCC[C@@H]21)NCc1cccc(Cl)c1
365650603	ZINC000354729988	ref	6.51	-42.13	1	270.417	1.896	2	2	9	CCO[C@H](CC[NH+](C)C)CNC(=O)C(C)(C)C1CC1
365650610	ZINC000354729756	ref	2.92	-44.8	1	295.383	1.797	3	3	7	CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H]1CCOC1)c1ccco1
365650617	ZINC000354729756	high	1.94	-11.35	0	295.383	1.797	3	4	7	CC[C@H](C)N[C@@H](CNC(=O)N[C@H]1CCOC1)c1ccco1
365654355	ZINC000617493001	ref	4.8	-15.22	0	288.347	0.851	2	3	3	CN1C(=O)[C@@H](NC(=O)[C@H](O)C2CCC2)Cc2ccccc21
365654359	ZINC000617490710	ref	-1.65	-9.68	0	251.286	0.97	2	4	4	NC(=O)c1coc(CNC(=O)C2CCCCC2)n1
398249863	ZINC000381271102	ref	6.14	-20.83	0	246.27	0.722	2	5	4	Cc1ccc(O)c(C(=O)NCCn2cnnc2)c1
214201193	ZINC000278510913	ref	9.25	-39.49	1	307.8	3.376	1	2	7	C[N@H+](CCCc1c(F)cccc1Cl)CCc1cnccn1
398249865	ZINC000381271102	high	7.15	-63.22	-1	246.27	0.722	1	5	4	Cc1ccc([O-])c(C(=O)NCCn2cnnc2)c1
178325239	ZINC000237700225	ref	6.39	-45.51	1	364.534	1.025	1	3	4	C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1
178325241	ZINC000237686354	ref	3.43	-62.05	0	365.377	1.692	1	3	3	Cc1cc(C(=O)N2CCC[NH2+]CC2)ccc1[N-]S(=O)(=O)C(F)(F)F
178325243	ZINC000237686354	high	2.13	-32.69	-1	365.377	1.692	1	4	3	Cc1cc(C(=O)N2CCCNCC2)ccc1[N-]S(=O)(=O)C(F)(F)F
178325245	ZINC000237688385	ref	2.49	-71.1	1	353.469	1.819	2	5	6	Cc1ccccc1-c1csc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)n1
178325247	ZINC000237688385	mid	2.16	-21.19	0	353.469	1.819	2	6	6	Cc1ccccc1-c1csc(NC(=O)[C@@H](N)CCS(C)(=O)=O)n1
178325249	ZINC000237691795	ref	3.56	-66.64	1	368.499	1.435	1	4	6	Cc1ccc(OC2CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC2)cc1C
199273357	ZINC000181265277	ref	-1.33	-26.04	0	311.363	0.124	3	4	6	COc1cccc2[nH]cc(CC(=O)NCCS(N)(=O)=O)c12
178325250	ZINC000237691795	mid	3.26	-19.2	0	368.499	1.435	1	5	6	Cc1ccc(OC2CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC2)cc1C
398249855	ZINC000651467973	ref	6.35	-11.51	0	291.782	3.341	1	4	4	COc1cc(CN[C@H]2C[C@@H](C)n3ccnc32)ccc1Cl
222609549	ZINC000283780205	ref	4.87	-6.28	0	304.39	1.963	2	3	9	C=CCCOCCNC(=O)C(=O)N[C@@H](CC)c1ccccc1
398249856	ZINC000651467973	mid	7.61	-50.08	1	291.782	3.341	1	3	4	COc1cc(C[NH2+][C@H]2C[C@@H](C)n3ccnc32)ccc1Cl
222609552	ZINC000283781648	ref	4.33	-13.93	0	301.346	1.879	2	5	7	C=CC[C@@H](CO)NC(=O)c1ccccc1Oc1cnn(C)c1
342089712	ZINC000600317388	ref	6.13	-19.32	0	289.331	1.787	0	4	2	COC(=O)c1cc(C)cc(C(=O)N2CC3(CCCO3)C2)c1
349536072	ZINC000594972037	ref	8.57	-51.18	1	292.329	2.756	1	2	7	N#CC1(c2ccc(C[NH2+]CCO[C@@H]3CC3(F)F)cc2)CC1
178325256	ZINC000237698648	ref	2.92	-56.27	0	370.457	1.102	2	5	6	Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H](C[NH3+])C1CCCCC1
398249859	ZINC000651466170	ref	4.45	-3.68	0	275.179	3.353	2	3	5	OCC1(CCNc2ncc(Cl)cc2Cl)CCC1
398249862	ZINC000651467304	ref	6.87	-48.14	1	262.397	3.166	1	2	6	Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2)c(C)n1
178325259	ZINC000237698648	mid	4.1	-43.1	1	370.457	1.102	3	5	6	Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@@H](C[NH3+])C1CCCCC1
398249864	ZINC000651465692	ref	4.69	-5.44	0	251.37	3.221	2	3	8	CCc1ccc(N[C@H](C)CCCCO)cc1OC
342089713	ZINC000217504460	ref	4.65	-8.23	0	253.685	1.707	1	4	2	COCC#Cc1cc(C(=O)OC)c(Cl)cc1N
342089714	ZINC000588345088	ref	5.58	-22.21	0	265.357	1.443	1	3	6	CC(C)[C@H]1C(=O)NCCN1C(=O)CCCCCC#N
365650577	ZINC000625120052	ref	4.67	-23.29	0	317.364	2.09	2	3	4	CC(=O)NC1CCN(CC(=O)c2c[nH]c3ccc(F)cc23)CC1
349536075	ZINC000594972037	high	7.14	-13.01	0	292.329	2.756	1	3	7	N#CC1(c2ccc(CNCCO[C@@H]3CC3(F)F)cc2)CC1
168365622	ZINC000368505893	ref	6.73	-51.85	1	343.29	3.218	2	2	4	C[C@H]([NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(Br)s1
168365625	ZINC000368505893	high	5.79	-6.86	0	343.29	3.218	2	3	4	C[C@H](N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1ccc(Br)s1
168365626	ZINC000368503021	ref	9.06	-102.43	2	344.421	3.244	3	1	6	C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1
168365628	ZINC000368503021	mid	7.14	-40.19	1	344.421	3.244	2	2	6	CN(C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1
168365632	ZINC000368501985	ref	6.54	-17.21	0	332.403	3.24	2	3	2	Cc1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2O)c2nccc(C)c2c1
168365633	ZINC000368509153	ref	9.91	-58.38	1	334.419	3.366	1	2	5	O=C(Cc1ccccc1)N1CC[C@H]([NH2+]Cc2ccc3occc3c2)C1
168365636	ZINC000368509153	high	8.71	-13.24	0	334.419	3.366	1	3	5	O=C(Cc1ccccc1)N1CC[C@H](NCc2ccc3occc3c2)C1
282123759	ZINC000151694986	ref	3.05	-22.59	0	318.373	2.182	3	4	5	O=C(NCCC[C@H]1CCCC[C@@H]1O)c1cccc2[nH]c(=O)oc12
398249866	ZINC000036147465	ref	5.09	-10.65	0	249.31	1.99	1	3	6	COc1ccccc1OCCNC(=O)C1CCC1
178325253	ZINC000248050058	ref	3.63	-9.4	0	239.278	2.438	2	3	1	Cc1ccc(-c2ccc3c(n2)OCC(=N)N3)cc1
178325255	ZINC000248050058	low	3.58	-41.72	1	239.278	2.438	2	2	1	Cc1ccc(-c2ccc3c(n2)OCC(=[NH2+])N3)cc1
398249870	ZINC000390800847	ref	-1.28	-89.21	2	213.325	-0.844	4	2	4	C[C@]1(CNC[C@@H]2C[NH2+]C[C@@H]2O)CC[NH2+]C1
398249871	ZINC000390800847	low	-0.11	-182.73	3	213.325	-0.844	4	1	4	C[C@]1(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)CC[NH2+]C1
349536081	ZINC000594972484	ref	8.05	-45.83	1	259.365	2.692	1	2	6	COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC(C)(C)F)[C@H]1C
349536084	ZINC000594970574	ref	7.11	-9.59	0	280.375	2.726	1	4	4	CC(C)(NCc1cc2n(n1)CCC2)c1cccc(C#N)c1
398249875	ZINC000634730308	ref	2.25	-37.06	1	241.375	1.821	3	2	4	O[C@H](C[NH2+][C@@H]1CCCC[C@@H]1O)C1CCCCC1
398253929	ZINC000651506202	ref	6.95	-11.02	0	290.407	3.025	0	3	6	CCCC(C)(C)C(=O)N1CC[C@H](OCc2ccccn2)C1
398253932	ZINC000651506573	ref	5.5	-12.55	0	299.436	3.254	1	3	8	CCC[C@@H](C)S(=O)(=O)N[C@@H](C)c1ccc(OCC)cc1
214201195	ZINC000053843775	ref	8.77	-27.48	0	342.42	3.436	1	5	3	Cc1occc1C(=O)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@H](C)CC3
178325261	ZINC000237698551	ref	2.25	-91.8	0	370.457	1.246	2	5	5	Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NCC1([NH3+])CCCCCC1
178325263	ZINC000237698551	mid	3.43	-65.1	1	370.457	1.246	3	5	5	Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)NCC1([NH3+])CCCCCC1
398249867	ZINC000651467886	ref	6.23	-40.05	1	291.382	3.332	1	2	7	COCC[C@@H]1CCC[C@H]1[NH2+]C1CCC(OC(F)F)CC1
342602844	ZINC000617006170	high	3.94	-9.65	0	292.427	1.903	1	4	5	C[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)c1cnn(C)c1
342602845	ZINC000617006184	ref	8.63	-40.76	1	278.396	1.591	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
365650582	ZINC000625120052	low	6.86	-58.29	1	317.364	2.09	3	2	4	CC(=O)NC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1
365650589	ZINC000625119537	ref	8.31	-23.95	0	314.389	2.299	2	4	5	CCCn1c(NC(=O)[C@H](C)[C@H]2CCC(=O)N2)nc2ccccc21
365650592	ZINC000625121022	ref	2.25	-8.95	0	320.437	2.002	1	5	7	CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2cncc(OC)n2)C1
365650597	ZINC000625121022	mid	5.32	-36.63	1	320.437	2.002	2	4	7	CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2cncc(OC)n2)C1
365650601	ZINC000625121022	mid	4.48	-41.14	1	320.437	2.002	2	4	7	CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](Cc2cncc(OC)n2)C1
365650608	ZINC000625120695	ref	3.11	-10.4	0	305.346	2.119	1	3	3	Cc1ccc(S(=O)(=O)N[C@@]2(C)CCO[C@H]2C)c(F)c1F
365650613	ZINC000625120695	high	3.33	-40.23	-1	305.346	2.119	0	3	3	Cc1ccc(S(=O)(=O)[N-][C@@]2(C)CCO[C@H]2C)c(F)c1F
365650620	ZINC000625119105	ref	0.04	-9.84	0	303.366	2.329	0	7	5	COc1cncc(CN2CCC[C@H]2c2noc(C(C)C)n2)n1
342602846	ZINC000617006184	mid	7.16	-44.34	1	278.396	1.591	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
342602847	ZINC000617006184	mid	5.61	-15.39	0	278.396	1.591	1	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
398249869	ZINC000651467824	ref	6.54	-10.18	0	293.798	3.416	1	4	6	CCn1ccnc1[C@@H](C)NCc1ccc(Cl)c(OC)c1
349536077	ZINC000621246163	ref	3.01	-37.37	1	267.72	2.031	1	5	3	CCn1ncc(Cl)c1-c1nc([C@H]2CCC[NH2+]2)no1
214201196	ZINC000278510913	mid	9.26	-39.6	1	307.8	3.376	1	2	7	C[N@@H+](CCCc1c(F)cccc1Cl)CCc1cnccn1
214201198	ZINC000278510913	high	6.95	-6.91	0	307.8	3.376	0	3	7	CN(CCCc1c(F)cccc1Cl)CCc1cnccn1
342602848	ZINC000617005858	ref	4.69	-36.57	1	264.373	1.506	2	3	4	CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1
365650625	ZINC000625120383	ref	2.19	-40.22	1	305.353	2.389	2	4	4	Cc1nnc([C@@H]2CCC[N@H+](Cc3cc(CO)ccc3F)C2)o1
342089715	ZINC000600317367	ref	6.61	-11.38	0	295.379	1.89	0	4	2	CC(C)(C)OC(=O)C1(C(=O)N2CC3(CCCO3)C2)CCC1
398249868	ZINC000381277171	ref	1.27	-7.48	0	237.303	1.065	2	4	5	CO[C@@H](CNC(=O)c1ncccc1N)C(C)C
398249873	ZINC000381271465	ref	6.4	-32.11	0	213.302	2.009	1	3	5	CC[C@@H]([NH2+]Cc1csc(C)c1)C(=O)[O-]
398249876	ZINC000381269769	ref	-0.17	-51.22	1	212.249	0.503	2	3	5	COC[C@H](C)NC(=O)c1coc(C[NH3+])c1
398249878	ZINC000381269769	mid	-0.57	-10.3	0	212.249	0.503	2	4	5	COC[C@H](C)NC(=O)c1coc(CN)c1
178325264	ZINC000215645772	ref	7.89	-44.25	1	209.292	3.265	1	0	1	Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1
178325266	ZINC000215645772	high	6.41	-4.5	0	209.292	3.265	1	1	1	Cc1ccc(-c2ccc3c(c2)CNC3)cc1
214201197	ZINC000337658221	ref	8.59	-16.64	0	276.365	2.406	2	4	5	CCSc1ccc(CC(=O)Nc2n[nH]c(C)n2)cc1
210256181	ZINC000000646437	ref	10.22	-10.81	0	366.812	3.254	2	6	3	CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccncc2)n2ncnc2N1
178325270	ZINC000038068930	ref	6.94	-5.33	0	226.323	3.31	1	2	2	Cc1ccc(-c2ccc(N(C)C)cc2)cc1N
178325271	ZINC000038069522	ref	7.19	-5.83	0	239.318	3.569	1	2	1	Cc1ccc(-c2ccc3c(c2)CCCO3)cc1N
214201200	ZINC000337658221	mid	9.1	-13.3	0	276.365	2.406	2	4	5	CCSc1ccc(CC(=O)Nc2nnc(C)[nH]2)cc1
210256187	ZINC000000644669	ref	9.56	-11.7	0	367.427	3.167	0	7	6	CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1c([N+](=O)[O-])cnc1C
178325278	ZINC000038069113	ref	5.72	-7.18	0	241.29	3.015	1	3	1	Cc1ccc(-c2ccc3c(c2)OCCO3)cc1N
178325280	ZINC000065341325	ref	6.82	-7.39	0	223.275	3.548	1	2	1	Cc1ccc(-c2ccc(O)c(C#N)c2)c(C)c1
214201203	ZINC000337660169	ref	2.83	-15.09	0	283.372	0.722	2	3	3	CC(C)C(=O)NC1CCN(C(=O)N[C@H]2CCOC2)CC1
210256192	ZINC000000645812	ref	8.99	-10.17	0	357.41	3.505	0	5	3	O=C(c1ccco1)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1
230239582	ZINC000356739026	high	-1.08	-9.57	0	254.334	-0.358	3	3	4	C[C@H](NC(N)=O)C(=O)N[C@H]1CN(C2CC2)C[C@H]1C
230239589	ZINC000356732479	ref	-0.3	-12.96	0	268.317	-0.911	4	3	4	CNC(=O)NCC(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC1
230239593	ZINC000356727431	ref	0.66	-7.25	0	272.345	-0.099	2	4	5	C[C@@H](CO)N(C)C(=O)C(=O)NCC[C@H]1CCCCO1
230239598	ZINC000356745419	ref	-0.02	-13.85	0	299.371	-0.296	3	4	7	CC(=O)NCCCNC(=O)C(=O)NCC[C@@H]1CCCCO1
230239607	ZINC000356755835	ref	0.46	-14.0	0	281.234	-0.024	2	5	6	Cn1cc(C[C@@H](O)C(=O)NCCOC(F)(F)F)cn1
230239613	ZINC000356730984	ref	-0.5	-13.14	0	281.356	-0.65	2	4	5	O=C1CN(CCCNC(=O)[C@@H]2[C@H]3CCCO[C@H]32)CCN1
214201199	ZINC000053844920	ref	4.72	-8.2	0	349.784	2.767	1	3	4	Cc1c(Cl)cccc1NC(=O)CN1CCN(CC(F)(F)F)CC1
342602849	ZINC000617005858	mid	5.94	-36.44	1	264.373	1.506	2	3	4	CCn1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1
342602850	ZINC000617005858	high	2.92	-10.73	0	264.373	1.506	1	4	4	CCn1ccc(C(=O)NC[C@@H]2CCN2C(C)(C)C)n1
197610285	ZINC000163086663	ref	7.77	-15.36	0	322.817	2.115	1	3	3	CC1(C)[C@H]2C(=O)N(Cc3ccc(C(N)=S)cc3Cl)C(=O)[C@H]21
282123760	ZINC000248983267	ref	4.0	-13.0	0	300.399	1.783	1	4	3	C[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C(=O)N1CCO[C@H](C)C1
214201204	ZINC000053837652	ref	5.81	-27.18	0	335.238	1.67	2	5	5	Cc1c(OCC(=O)NC(=O)NCC(F)(F)F)cccc1[N+](=O)[O-]
214201207	ZINC000053824487	ref	10.9	-10.09	0	347.488	3.013	0	6	5	Cc1cc2nnc(SCC(=O)N(C(C)C)C3CCCC3)n2c(C)n1
342602851	ZINC000617006061	ref	5.47	-44.85	1	278.4	1.607	2	3	4	CC(C)(C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)n1cccn1
214201211	ZINC000053825721	ref	8.56	-17.43	0	341.411	1.875	0	5	2	Cc1ccc2ncn(CC(=O)N3CCO[C@@H]4CCCC[C@H]43)c(=O)c2c1
214201216	ZINC000053845574	ref	5.45	-7.59	0	332.757	2.668	0	4	3	FC(F)(F)CN1CCN(Cc2cn3cc(Cl)ccc3n2)CC1
178325265	ZINC000237695612	ref	4.37	-55.3	1	359.451	1.708	2	3	4	CN1C(=O)c2cccc3c(S(=O)(=O)NC[C@@H]4CCC[NH2+]C4)ccc1c23
342602852	ZINC000617006061	mid	6.11	-45.39	1	278.4	1.607	2	3	4	CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)n1cccn1
214201219	ZINC000053845574	low	5.59	-29.67	1	332.757	2.668	0	3	3	FC(F)(F)CN1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1
214201223	ZINC000053834987	ref	9.68	-36.4	0	348.363	0.981	2	7	4	O=C(Cn1cnc([N+](=O)[O-])n1)NC(=O)NC12CC3CC(CC(C3)C1)C2
214201227	ZINC000053841596	ref	12.03	-22.03	0	334.445	2.88	0	7	5	CCCCc1c(C)nc2nc(S[C@@H]3C[C@H](C)OC3=O)nn2c1C
230763031	ZINC000450599607	ref	6.15	-11.9	0	313.398	1.804	0	4	3	O=S(=O)(c1cccnc1N1CC[C@H](F)C1)N1CCCCC1
342602853	ZINC000617006061	high	4.0	-15.33	0	278.4	1.607	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)n1cccn1
365650584	ZINC000641615563	ref	4.02	-8.08	0	270.336	1.224	1	4	2	C[C@@]12CN(c3nccnc3C(N)=O)C[C@H]1[C@@H]1C=C[C@H]2C1
299072920	ZINC000358089442	ref	5.58	-42.0	1	315.483	1.538	3	3	4	CSC1(CNC(=O)N[C@@H]2CCOC[C@@H]2C)CC[NH+](C)CC1
349536078	ZINC000621246163	mid	1.66	-4.99	0	267.72	2.031	1	6	3	CCn1ncc(Cl)c1-c1nc([C@H]2CCCN2)no1
168367874	ZINC000083591402	low	3.39	-120.46	2	176.263	1.048	2	0	1	C[C@@H]([NH3+])[C@@H]1Cc2ccccc2C[NH2+]1
178325267	ZINC000237697522	ref	1.75	-54.96	1	356.426	1.577	2	4	5	Cc1ccc(-c2ocnc2C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1
178325269	ZINC000237700148	ref	6.76	-54.58	1	374.876	1.818	1	5	3	O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCN(c2ccc(Cl)cc2)CC1
178325272	ZINC000237705537	ref	1.75	-60.11	1	371.441	1.336	2	5	5	Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)c12
398249872	ZINC000651467824	mid	7.73	-47.78	1	293.798	3.416	1	3	6	CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(Cl)c(OC)c1
178325277	ZINC000237700656	ref	6.88	-63.0	1	359.405	1.737	2	5	3	O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)[C@@H]1C[NH2+]CCO1
342602854	ZINC000617006092	ref	5.97	-42.72	1	265.357	1.84	2	3	4	CCc1nocc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
178325279	ZINC000237700656	mid	5.53	-22.01	0	359.405	1.737	2	6	3	O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)[C@@H]1CNCCO1
178325282	ZINC000237705714	ref	1.76	-59.8	1	371.441	1.336	2	5	5	Cc1noc2nc(C3CC3)cc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)c12
178325284	ZINC000237691918	ref	4.28	-47.06	1	360.458	1.344	3	4	4	Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H]3COCCN3)C2)cc1
282123761	ZINC000115056584	ref	4.47	-18.18	0	282.307	0.598	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(C#N)nc1)CC2
168365640	ZINC000368509154	ref	9.89	-58.55	1	334.419	3.366	1	2	5	O=C(Cc1ccccc1)N1CC[C@@H]([NH2+]Cc2ccc3occc3c2)C1
365650595	ZINC000641615255	ref	4.91	-10.5	0	276.384	1.903	1	4	4	Cc1cncnc1N1CCC[C@H](CC(C)(C)C(N)=O)C1
365650606	ZINC000641615565	ref	3.02	-9.34	0	270.336	1.224	1	4	2	C[C@@]12CN(c3nccnc3C(N)=O)C[C@@H]1[C@@H]1C=C[C@H]2C1
214201205	ZINC000278510952	ref	8.91	-45.94	1	322.815	2.971	1	3	4	Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1
214201208	ZINC000278510952	high	7.75	-6.16	0	322.815	2.971	1	4	4	Cn1nccc1N1CCC[C@@H](NCc2cc(Cl)ccc2F)C1
214201212	ZINC000278511120	ref	6.53	-42.23	1	306.475	2.091	2	3	5	O[C@@H](CN1CC[NH+](C[C@H]2CCSC2)CC1)c1ccccc1
214201215	ZINC000278511120	high	4.45	-5.21	0	306.475	2.091	1	4	5	O[C@@H](CN1CCN(C[C@H]2CCSC2)CC1)c1ccccc1
214201218	ZINC000278511605	ref	9.3	-50.52	1	312.417	2.177	2	3	4	Cn1cnc2cc(C(=O)NCC3CC[NH+](C4CC4)CC3)ccc21
214201222	ZINC000278510863	ref	4.9	-40.23	1	306.406	2.427	2	3	6	COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCOC[C@@H]2C)cc1
398253930	ZINC000381581888	ref	4.52	-37.62	1	210.321	1.385	1	1	2	CC[C@H]1CCCN1C(=O)[C@@H]1[NH2+]CC1(C)C
214201206	ZINC000293783061	ref	1.61	-19.42	0	359.473	0.359	1	5	5	C[C@H](NC(=O)c1cccs1)C(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
214201210	ZINC000293787642	ref	-1.57	-19.59	0	354.432	0.106	2	5	4	CC(C)C[C@H]1C(=O)NCCCN1C(=O)c1ccc(S(N)(=O)=O)nc1
214201214	ZINC000293793007	ref	3.34	-14.78	0	365.386	0.701	2	7	6	O=C(NC[C@H]1CC[C@@H](CO)O1)c1cccc([N+](=O)[O-])c1N1CCOCC1
214201221	ZINC000293789380	ref	5.27	-31.05	0	352.412	0.66	1	5	4	C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccccc2)C(=O)O1
214201226	ZINC000293784633	ref	3.02	-16.44	0	360.414	0.629	3	4	7	CCNC(=O)[C@@H](NC(=O)c1cccc(CN2C(=O)CNC2=O)c1)C(C)C
214201230	ZINC000293786320	ref	2.19	-59.31	1	355.435	0.805	2	3	3	CNS(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3CC2)ccc1F
342602855	ZINC000617006092	mid	4.85	-43.5	1	265.357	1.84	2	3	4	CCc1nocc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
214201234	ZINC000293786320	high	2.02	-88.84	0	355.435	0.805	1	3	3	C[N-]S(=O)(=O)c1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3CC2)ccc1F
365650614	ZINC000623090443	mid	7.01	-85.99	2	319.493	1.549	3	2	9	CN(CC[N@@H+](C)CCO)C1CC[NH+](CCc2ccccc2)CC1
342602856	ZINC000617006092	mid	2.93	-9.75	0	265.357	1.84	1	4	4	CCc1nocc1C(=O)NC[C@H]1CCN1C(C)(C)C
365650619	ZINC000623090443	high	4.72	-37.38	1	319.493	1.549	2	3	9	CN(CCO)CC[N@H+](C)C1CCN(CCc2ccccc2)CC1
365650623	ZINC000623090443	high	4.71	-37.44	1	319.493	1.549	2	3	9	CN(CCO)CC[N@@H+](C)C1CCN(CCc2ccccc2)CC1
214201238	ZINC000293785362	ref	3.09	-26.23	0	364.418	0.93	0	5	5	Cc1nn(C(F)F)c(C)c1CC(=O)N(C)[C@H]1CCN(S(C)(=O)=O)C1
365650627	ZINC000623090229	ref	4.35	-36.74	1	302.422	1.443	2	4	8	CN(CCO)CC[N@H+](C)Cc1ccccc1-c1ccnn1C
214202810	ZINC000278512353	ref	5.71	-42.1	1	315.295	2.371	3	2	3	O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCC[N@@H+]1C1CC1
178325281	ZINC000065341325	high	7.59	-41.05	-1	223.275	3.548	0	2	1	Cc1ccc(-c2ccc([O-])c(C#N)c2)c(C)c1
342602857	ZINC000617006125	ref	6.13	-36.31	1	254.374	1.544	2	2	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C[C@H]1CCCO1
365650636	ZINC000623090229	mid	4.25	-36.65	1	302.422	1.443	2	4	8	CN(CCO)CC[N@@H+](C)Cc1ccccc1-c1ccnn1C
342602858	ZINC000617006125	mid	4.65	-38.89	1	254.374	1.544	2	2	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)C[C@H]1CCCO1
365650640	ZINC000623090229	mid	4.5	-34.73	1	302.422	1.443	2	4	8	CN(CC[N@H+](C)CCO)Cc1ccccc1-c1ccnn1C
398254091	ZINC000381611507	low	5.22	-114.94	2	218.291	1.845	2	0	2	[NH3+][C@@H]1CC[N@H+](C[C@H]2CCCCC2(F)F)C1
214201209	ZINC000337660173	ref	-0.18	-9.61	0	288.388	0.888	3	4	7	CC(C)[C@H](C)NC(=O)NCC1(OCCO)CCOCC1
282123762	ZINC000449156706	ref	1.65	-41.79	1	266.366	2.03	2	4	6	CS[C@@H](CO)[C@@H](C)[NH2+]Cc1cc2cccnc2o1
214201213	ZINC000337658110	ref	9.09	-8.0	0	270.376	3.463	1	1	3	C[C@H]1c2ccccc2CN1C(=O)NCC1(C2CC2)CC1
185091564	ZINC000096081351	ref	7.27	-54.24	1	295.346	1.251	1	4	3	O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccccn2)N1c1cncnc1
282123764	ZINC000449156706	high	0.82	-9.58	0	266.366	2.03	2	5	6	CS[C@@H](CO)[C@@H](C)NCc1cc2cccnc2o1
214201217	ZINC000337660370	ref	7.46	-23.03	0	279.231	0.755	1	6	5	O=C(NCCn1cncn1)c1ccc(F)cc1[N+](=O)[O-]
214201220	ZINC000337659249	ref	6.68	-23.3	0	264.26	0.612	1	5	6	O=C(COc1cccc(F)c1)NCCn1cncn1
282123765	ZINC000449156241	ref	7.42	-38.34	1	259.39	2.369	1	3	8	COC(=O)COC[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C
214201228	ZINC000337658377	ref	8.03	-17.46	0	275.377	2.48	0	4	5	CN(CC1CC1)C(=O)Cn1ccc(-c2cccs2)n1
214201232	ZINC000337660244	ref	7.91	-15.01	0	291.395	2.256	1	2	5	CC(C)NC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1
214201236	ZINC000337657902	ref	3.2	-17.91	0	298.306	0.645	2	5	4	Cn1cc(OCC(=O)N=c2cc(-c3cccnc3)[nH][nH]2)cn1
214201242	ZINC000337657902	high	3.08	-42.13	-1	298.306	0.645	1	5	4	Cn1cc(OCC(=O)N=c2cc(-c3cccnc3)[n-][nH]2)cn1
178325285	ZINC000072416724	ref	5.81	-7.32	0	227.307	3.419	1	2	2	Cc1ccc(-c2ccc([C@H](C)O)c(C)n2)cc1
398249874	ZINC000651467273	ref	7.96	-50.26	1	281.346	3.358	1	1	5	Fc1cc(F)c2c(c1)[C@H]([NH2+]CCC[C@@H]1CCOC1)CC2
178325289	ZINC000002555519	ref	4.76	-30.36	1	200.245	1.738	2	3	2	Cc1ccc(-c2ccc(NN)[nH+]n2)cc1
185091566	ZINC000096081351	mid	6.81	-53.67	1	295.346	1.251	1	4	3	O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccccn2)N1c1cncnc1
178325290	ZINC000002555519	mid	4.55	-11.12	0	200.245	1.738	2	4	2	Cc1ccc(-c2ccc(NN)nn2)cc1
282123766	ZINC000449156323	ref	3.68	-36.16	1	287.363	2.432	1	4	7	COc1nccnc1C[NH2+]CC(C)(C)Oc1ccccc1
214201250	ZINC000337659619	ref	3.73	-21.76	0	277.328	0.567	1	5	7	COCCn1ccc(=NC(=O)CCCn2cccn2)[nH]1
178325292	ZINC000002555519	high	4.61	-7.08	0	200.245	1.738	2	3	1	Cc1ccc(-c2ccc(=NN)[nH]n2)cc1
398249877	ZINC000651467070	ref	8.0	-9.96	0	289.375	3.006	0	3	3	O=C([C@@H]1C[C@@H]1C1CCCC1)N1CCO[C@@H](c2ccco2)C1
214201254	ZINC000337658843	ref	5.62	-40.44	1	255.406	2.064	3	1	7	CC(C)CC(C)(C)CNC(=O)NCC[NH+]1CCC1
178325286	ZINC000237691918	mid	4.28	-47.06	1	360.458	1.344	3	3	4	Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)cc1
178325288	ZINC000237705077	ref	6.78	-56.12	-1	362.411	1.442	1	7	7	Cn1cc(S(=O)(=O)NCCCn2cnc3ccccc32)cc1C(=O)[O-]
214201225	ZINC000278510922	ref	2.01	-11.98	0	306.362	1.404	1	5	4	C[C@@H]1COCC[C@H]1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1
214201229	ZINC000278511362	ref	4.53	-10.72	0	316.401	1.811	0	5	5	O=C(CCN1CCN(C2CC2)CC1)c1ccc2c(c1)OCCO2
214201233	ZINC000278511362	mid	6.9	-42.09	1	316.401	1.811	1	4	5	O=C(CCN1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2
214201235	ZINC000278511362	low	6.92	-47.79	1	316.401	1.811	1	4	5	O=C(CC[NH+]1CCN(C2CC2)CC1)c1ccc2c(c1)OCCO2
178325291	ZINC000237683965	ref	3.75	-45.72	1	364.534	1.487	2	3	4	C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1
178325294	ZINC000237683965	high	4.16	-12.84	0	364.534	1.487	2	4	4	C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3(N)CCCCC3)CC2)C1
365650615	ZINC000641612375	ref	2.57	-15.8	0	279.427	1.086	1	4	7	O=S(=O)(CCC[C@H]1CCOC1)NCC1CSC1
342602859	ZINC000617006125	high	3.09	-10.2	0	254.374	1.544	1	3	4	CC(C)(C)N1CC[C@H]1CNC(=O)C[C@H]1CCCO1
214201239	ZINC000278510652	ref	7.04	-20.7	0	312.373	2.416	2	3	4	Cc1nc[nH]c1CC(=O)Nc1cccc(N2CCCCC2=O)c1
214201243	ZINC000278510652	low	7.5	-42.67	1	312.373	2.416	2	2	4	Cc1[nH+]c[nH]c1CC(=O)Nc1cccc(N2CCCCC2=O)c1
214201248	ZINC000278510332	ref	6.24	-12.32	0	312.41	2.732	0	4	5	CC[C@H](SC)C(=O)N1CCC(Oc2ncccc2F)CC1
214201252	ZINC000278511856	ref	6.16	-10.19	0	307.375	2.149	0	7	6	COC[C@H](OC(=O)c1ccc(N(C)C)nc1)c1nccs1
210256203	ZINC000000641652	ref	12.37	-40.32	1	362.267	4.126	1	2	6	C[C@@H](C[N@H+](C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1
210256209	ZINC000000641652	mid	12.36	-41.82	1	362.267	4.126	1	2	6	C[C@@H](C[N@@H+](C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1
178325296	ZINC000237683935	ref	3.23	-51.31	1	350.507	1.097	2	3	4	C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3([NH3+])CCCC3)CC2)C1
178325298	ZINC000237683935	high	3.42	-13.06	0	350.507	1.097	2	4	4	C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)C3(N)CCCC3)CC2)C1
178325299	ZINC000237694151	ref	7.85	-51.41	1	351.45	1.908	1	2	4	Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)cc1
342602860	ZINC000590878543	ref	5.29	-8.97	0	275.352	1.822	1	4	4	CN(C(=O)c1cccc(C#N)n1)[C@H](CO)CC(C)(C)C
342602861	ZINC000617006062	ref	6.04	-45.79	1	278.4	1.607	2	3	4	CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1cccn1
282123763	ZINC000151700968	ref	7.59	-42.41	1	324.513	2.236	2	2	7	CCC[C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1
282123772	ZINC000151700968	mid	7.57	-39.56	1	324.513	2.236	2	2	7	CCC[C@@H]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1
210256214	ZINC000000641652	high	10.0	-6.01	0	362.267	4.126	0	3	6	C[C@@H](CN(C)Cc1ccccc1)OC(=O)c1ccc(Br)cc1
210256222	ZINC000000644629	ref	6.91	-5.6	0	352.283	3.813	0	3	4	CCOc1c(S(=O)(=O)N2CCC[C@H](C)C2)ccc(Cl)c1Cl
282123778	ZINC000151700968	high	5.2	-9.17	0	324.513	2.236	1	3	7	CCC[C@@H]1CCCN(C(=O)NCCCCN2CCN(C)CC2)C1
214201231	ZINC000053837720	ref	10.07	-15.22	0	349.434	4.207	1	4	5	Cc1cccn2cc(-c3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)nc12
214201237	ZINC000053837720	low	10.52	-32.46	1	349.434	4.207	1	3	5	Cc1cccn2cc(-c3ccc(NC(=O)CC[C@@H]4CCCO4)cc3)[nH+]c12
214201240	ZINC000053844461	ref	7.36	-13.78	0	346.427	2.002	0	5	4	COC(=O)[C@@H]1CCCCN1CC(=O)N1CCCc2cc(OC)ccc21
210256227	ZINC000000644998	ref	13.08	-16.52	0	355.462	5.951	0	3	5	O=C(c1ccccc1)[C@H](Sc1cccc2cccnc12)c1ccccc1
342602862	ZINC000617006062	mid	5.42	-45.17	1	278.4	1.607	2	3	4	CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1cccn1
342602863	ZINC000617006062	high	3.54	-14.2	0	278.4	1.607	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)n1cccn1
214201244	ZINC000053844394	ref	7.83	-14.9	0	335.36	1.585	0	6	5	COC(=O)[C@@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
342602864	ZINC000617005790	ref	5.38	-44.46	1	295.427	1.234	2	2	5	CCCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1=O
365650616	ZINC000274399427	ref	6.86	-12.95	0	258.325	1.919	1	4	2	CC(C)(C)c1nnc2ccc(C(=O)NC3CC3)cn12
192340752	ZINC000421455498	ref	6.81	-11.54	0	235.331	1.782	0	3	5	CCN(CC1CC1)C(=O)[C@H](C)c1ccnn1C
210256233	ZINC000000642771	ref	12.74	-12.55	0	359.425	5.083	1	3	4	Cc1cc(OC(=O)c2ccccc2C)ccc1NC(=O)c1ccccc1C
342602865	ZINC000617005790	mid	6.59	-43.52	1	295.427	1.234	2	2	5	CCCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CC1=O
197610310	ZINC000163086544	ref	6.62	-48.11	1	309.37	1.18	2	5	6	C[C@H](CNC(=O)c1c([N+](=O)[O-])cnn1C)C[NH+]1CCCCC1
342602866	ZINC000617005790	high	3.55	-10.92	0	295.427	1.234	1	3	5	CCCN1C[C@H](C(=O)NC[C@@H]2CCN2C(C)(C)C)CC1=O
398249879	ZINC000651467319	ref	7.74	-46.39	1	293.455	3.414	1	3	6	Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCC[C@@H]1CCOC1
178325297	ZINC000095494884	ref	8.54	-46.88	-1	247.225	3.415	0	3	2	Cc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)c(F)c1
178325300	ZINC000095494884	low	7.53	-11.91	0	247.225	3.415	1	3	2	Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)c(F)c1
178325301	ZINC000065339228	ref	6.19	-13.39	0	219.671	3.004	1	1	1	Cc1ccc(-c2ccc[nH]c2=O)c(Cl)c1
178325304	ZINC000041660894	ref	6.81	-5.11	0	232.71	4.329	1	1	1	Cc1ccc(-c2ccc(O)c(Cl)c2)cc1C
178325305	ZINC000041660894	mid	7.58	-41.95	-1	232.71	4.329	0	1	1	Cc1ccc(-c2ccc([O-])c(Cl)c2)cc1C
168365643	ZINC000368509154	high	8.72	-14.91	0	334.419	3.366	1	3	5	O=C(Cc1ccccc1)N1CC[C@@H](NCc2ccc3occc3c2)C1
168365645	ZINC000368507995	ref	6.61	-10.37	0	339.354	3.148	0	2	4	Cc1cccc([C@]2(F)CCN(S(=O)(=O)CCC(F)(F)F)C2)c1
168367876	ZINC000163507870	ref	4.87	-106.07	2	168.284	1.066	2	0	3	C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC2CC2)C1
178325306	ZINC000074937830	ref	9.28	-8.08	0	231.226	3.709	0	2	2	Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1F
398249880	ZINC000651466382	ref	4.79	-6.36	0	262.378	3.261	2	4	5	OCC1(CCNc2nccc3sccc23)CCC1
398249882	ZINC000651467610	ref	11.61	-10.25	0	283.415	3.432	0	1	4	Cc1cccc(CC2CN(C(=O)[C@@H]3C[C@H]3C3CCC3)C2)c1
398249885	ZINC000651467818	ref	6.54	-42.81	1	285.338	3.029	1	3	4	C[C@@H]1C[C@@H]([NH2+]C2CCC(OC(F)F)CC2)c2nccn21
398249886	ZINC000651467818	high	5.48	-10.75	0	285.338	3.029	1	4	4	C[C@@H]1C[C@@H](NC2CCC(OC(F)F)CC2)c2nccn21
178325317	ZINC000038068786	ref	9.73	-49.27	-1	244.265	3.808	0	2	2	Cc1ccc(-c2ccc(F)cc2C(=O)[O-])cc1C
178325318	ZINC000034564963	ref	4.66	-45.24	-1	248.303	2.909	0	3	2	Cc1ccc(-c2ccc(S(=O)(=O)[O-])cc2)cc1
178325322	ZINC000065343106	ref	6.94	-4.55	0	232.71	4.329	1	1	1	Cc1ccc(-c2ccc(O)c(Cl)c2)c(C)c1
178325325	ZINC000065343106	mid	7.71	-41.42	-1	232.71	4.329	0	1	1	Cc1ccc(-c2ccc([O-])c(Cl)c2)c(C)c1
178325326	ZINC000041270812	ref	10.09	-9.39	0	236.314	4.099	0	1	1	Cc1ccc(-c2ccc3c(c2)C(=O)CC3)cc1C
178325329	ZINC000095728300	ref	9.74	-45.78	-1	214.333	4.259	0	1	1	Cc1ccc(-c2ccc([S-])cc2)cc1C
342602867	ZINC000590878486	ref	8.71	-14.14	0	293.367	1.511	1	5	7	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCn1ccnc1
178325330	ZINC000095728300	mid	9.2	-3.39	0	214.333	4.259	1	1	1	Cc1ccc(-c2ccc(S)cc2)cc1C
343995681	ZINC000599275489	ref	1.42	-19.06	0	269.432	1.109	1	3	7	CCC(C)(C)CS(=O)(=O)N[C@H](C)C[S@](C)=O
365650622	ZINC000173011826	ref	5.23	-13.41	0	292.383	1.469	1	4	5	CN(C(=O)CNC(=O)CC1CCCCC1)c1cnn(C)c1
342602868	ZINC000590878486	low	9.23	-37.7	1	293.367	1.511	1	4	7	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)CCCn1cc[nH+]c1
349536085	ZINC000621246064	ref	4.95	-37.87	1	275.352	2.245	1	4	7	C[NH2+][C@H](C)Cc1noc(COCc2cccc(C)c2)n1
178325302	ZINC000237694151	mid	7.5	-12.41	0	351.45	1.908	1	3	4	Cc1ccc(CC(=O)N2CCN(C(=O)[C@H](N)c3ccccc3)CC2)cc1
197610303	ZINC000290144270	ref	2.01	-14.65	0	269.297	0.804	2	5	6	CC[C@@H](CO)NC(=O)c1c(C)coc1CC(=O)OC
214201241	ZINC000293783400	ref	4.92	-21.82	0	365.415	0.525	2	7	6	Cn1cnc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n1
342602869	ZINC000590878604	ref	6.21	-18.68	0	295.383	1.447	1	5	7	COC(=O)CC(C)(C)CC(=O)N[C@@H](C)Cc1cnn(C)c1
214201245	ZINC000293788503	ref	5.04	-47.18	1	361.486	0.801	2	4	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1
365650629	ZINC000173006308	ref	5.11	-20.92	0	292.379	1.935	1	3	8	CCCCN(CCOC)C(=O)c1cccc(C(=O)NC)c1
214201249	ZINC000293788503	mid	5.28	-45.98	1	361.486	0.801	2	4	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1
342602870	ZINC000590878561	ref	5.65	-6.56	0	295.339	1.859	1	5	5	CN(C(=O)c1ccc([N+](=O)[O-])cn1)[C@H](CO)CC(C)(C)C
214201251	ZINC000293788503	mid	7.74	-103.46	2	361.486	0.801	3	3	6	C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1
342602871	ZINC000617006251	ref	4.83	-36.43	1	291.399	1.291	2	4	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1
342602872	ZINC000617006251	mid	6.4	-36.06	1	291.399	1.291	2	4	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1
342602873	ZINC000617006251	high	3.49	-8.86	0	291.399	1.291	1	5	5	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cn(CC2CC2)nn1
342602874	ZINC000590878542	ref	5.43	-8.92	0	275.352	1.822	1	4	4	CN(C(=O)c1cccc(C#N)n1)[C@@H](CO)CC(C)(C)C
342602875	ZINC000590878569	ref	5.43	-15.13	0	252.358	1.936	1	3	5	CN(C(=O)CC1(C#N)CC1)[C@H](CO)CC(C)(C)C
342602876	ZINC000617005899	ref	3.06	-40.83	1	280.372	1.031	2	4	4	COc1c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1C
214202813	ZINC000278512353	mid	6.17	-38.15	1	315.295	2.371	3	2	3	O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCC[N@H+]1C1CC1
342602877	ZINC000617005899	mid	4.25	-40.04	1	280.372	1.031	2	4	4	COc1c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cnn1C
342602878	ZINC000617005899	high	1.25	-10.93	0	280.372	1.031	1	5	4	COc1c(C(=O)NC[C@@H]2CCN2C(C)(C)C)cnn1C
365650624	ZINC000641615362	ref	2.53	-12.8	0	295.351	1.517	1	3	4	CC1(C)[C@@H](CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1(F)F
342089716	ZINC000310102672	ref	3.62	-6.32	0	296.168	1.924	1	4	2	N#Cc1cc(Br)cnc1N1CCC[C@H](CO)C1
342089717	ZINC000051922676	ref	3.1	-13.91	0	294.38	1.887	2	5	6	CCn1ccnc1CNc1ccc(NS(C)(=O)=O)cc1
342089718	ZINC000051922676	low	3.67	-41.36	1	294.38	1.887	2	4	6	CCn1cc[nH+]c1CNc1ccc(NS(C)(=O)=O)cc1
178325311	ZINC000237692244	ref	5.94	-39.06	1	351.397	1.685	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1)[C@@H]1CCC[NH2+]1
178325312	ZINC000237684653	ref	4.32	-40.76	1	350.488	1.48	2	4	4	Cc1nc(C)c(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1
178325315	ZINC000237688259	ref	7.69	-50.68	-1	363.389	1.757	1	6	8	Cc1nn(C)c(C)c1CCC(=O)NC[C@@H](Oc1ccc(F)cc1)C(=O)[O-]
178325316	ZINC000237705853	ref	3.06	-48.97	1	354.248	1.94	3	2	4	Cc1cc(NC(=O)CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)ccc1Br
178325319	ZINC000237688857	ref	3.89	-61.26	1	365.499	1.526	1	3	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)C1
178325320	ZINC000237694117	ref	8.7	-51.01	1	365.477	1.778	1	2	5	Cc1ccc(CC(=O)N2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)cc1
178325323	ZINC000237694117	high	8.39	-13.01	0	365.477	1.778	1	3	5	Cc1ccc(CC(=O)N2CCN(C(=O)[C@H](N)Cc3ccccc3)CC2)cc1
178325324	ZINC000237701924	ref	7.91	-47.06	-1	352.394	1.95	1	6	6	Cc1cccc(C[C@H](CNC(=O)c2ccc3c(c2)nnn3C)C(=O)[O-])c1
365650633	ZINC000641615749	ref	3.44	-15.2	0	274.324	1.593	1	5	3	COC[C@@]1(C)CCN(c2ccc3nc[nH]c(=O)c3n2)C1
178325327	ZINC000237702951	ref	4.39	-60.82	1	352.402	1.548	3	6	4	Cc1nc(-c2cccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)c2)n[nH]1
178325328	ZINC000237703112	ref	5.1	-59.38	1	366.429	1.857	3	6	4	Cc1nc(-c2cccc(NC(=O)c3nnn(C4CC[NH2+]CC4)c3C)c2)n[nH]1
178325331	ZINC000237704904	ref	4.14	-56.65	1	374.42	1.431	2	6	4	O=C(Nc1ccc(N2CCOCC2)c(F)c1)c1cn(C2CC[NH2+]CC2)nn1
178325332	ZINC000237688751	ref	1.79	-55.53	1	370.335	1.791	2	6	5	O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cn(C2CC[NH2+]CC2)nn1
214201247	ZINC000053835996	ref	7.92	-18.36	0	333.391	2.476	1	3	7	N#Cc1ccccc1/C=C/C(=O)N(CCC(N)=O)Cc1ccccc1
192340756	ZINC000421451734	ref	7.01	-8.14	0	237.318	3.299	1	1	4	CC[C@@H](C)[C@H](C)NC(=O)c1cccc(F)c1C
342602879	ZINC000617005920	ref	5.43	-38.32	1	291.395	1.69	3	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2
210256242	ZINC000000643735	ref	11.68	-15.89	0	355.854	4.867	1	6	3	Cc1nc2ncccn2c1-c1csc(Nc2cccc(Cl)c2C)n1
210256248	ZINC000000641248	ref	7.59	-11.85	0	369.852	4.223	3	2	3	CC1=C(C(=O)Nc2cccc(C)c2C)[C@H](c2cccc(Cl)c2)NC(=O)N1
210256254	ZINC000000640827	ref	8.08	-7.38	0	364.239	4.994	1	3	3	COc1ccc(C)cc1NC(=O)Oc1cc(C)c(Br)c(C)c1
210256263	ZINC000000641290	ref	9.96	-12.0	0	351.475	3.735	3	2	3	CC1=C(C(=O)Nc2cccc(C)c2C)[C@@H](c2ccccc2)NC(=S)N1
342602880	ZINC000617005920	mid	3.91	-41.85	1	291.395	1.69	3	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2
210256271	ZINC000000646423	ref	12.09	-13.46	0	363.396	3.653	2	5	3	CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(F)c2)n2ncnc2N1
342602881	ZINC000617005920	high	1.94	-10.85	0	291.395	1.69	2	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1cc2c([nH]1)CCOC2
342602882	ZINC000617006055	ref	4.82	-37.95	1	298.818	1.985	2	3	3	Cc1c(Cl)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)nn1C
210256277	ZINC000000641021	ref	7.92	-7.0	0	350.032	5.944	2	1	2	O=C(Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)ccc1Cl
197610325	ZINC000163078674	ref	6.34	-15.77	0	304.39	2.059	1	3	4	C[C@H]1C[C@@H](C)CCN(C(=O)COc2ccc(C(N)=O)cc2)C1
197610328	ZINC000163089582	ref	8.67	-13.13	0	300.402	3.046	1	2	5	Cc1cccc2c(CCC(=O)N(C)C[C@H]3CCCO3)c[nH]c12
342602883	ZINC000617006055	mid	6.07	-37.88	1	298.818	1.985	2	3	3	Cc1c(Cl)c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)nn1C
210256283	ZINC000000644538	ref	8.29	-17.8	0	366.211	3.19	0	4	2	COc1cc(Br)cc2cc(C(=O)N3CCCCC3)c(=O)oc12
398249881	ZINC000381273176	ref	6.72	-38.91	1	244.342	2.169	1	3	5	CCc1ccc(Cn2cc([C@@H](C)[NH2+]C)nn2)cc1
192340759	ZINC000421456657	ref	8.35	-7.76	0	247.313	3.509	1	1	2	Cc1cc(F)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
342602884	ZINC000617006055	mid	3.06	-11.41	0	298.818	1.985	1	4	3	Cc1c(Cl)c(C(=O)NC[C@@H]2CCN2C(C)(C)C)nn1C
398249883	ZINC000381273176	mid	5.46	-10.07	0	244.342	2.169	1	4	5	CCc1ccc(Cn2cc([C@@H](C)NC)nn2)cc1
136230283	ZINC000233223647	ref	3.96	-41.65	1	228.336	0.999	1	2	5	CCCOCC(=O)N1CC[C@H](C)C[C@@H]1C[NH3+]
214201253	ZINC000053837721	ref	10.06	-15.41	0	349.434	4.207	1	4	5	Cc1cccn2cc(-c3ccc(NC(=O)CC[C@H]4CCCO4)cc3)nc12
178325333	ZINC000033487694	ref	8.3	-4.87	0	223.319	3.938	1	1	1	Cc1ccc(-c2ccc3c(c2)CCN3)cc1C
342602885	ZINC000590878536	ref	4.16	-7.44	0	298.339	1.33	1	6	5	COC(=O)c1cc(C(=O)N(C)[C@@H](CO)CC(C)(C)C)on1
214201255	ZINC000293788503	mid	7.55	-99.97	2	361.486	0.801	3	3	6	C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1
342602886	ZINC000617005914	ref	6.51	-44.75	1	295.427	1.446	3	2	6	C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
365650628	ZINC000274397840	ref	4.09	-44.97	1	289.379	1.388	3	2	4	CC(C)[N@@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1
342602887	ZINC000617005914	mid	5.39	-44.11	1	295.427	1.446	3	2	6	C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
197610327	ZINC000290143889	ref	5.31	-10.58	0	299.374	2.149	2	4	5	C[C@@H](NC(=O)c1cnn(C)c1C1CC1)[C@H](O)c1ccccc1
342602888	ZINC000617005914	high	3.49	-14.32	0	295.427	1.446	2	3	6	C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H]1CCN1C(C)(C)C
214201257	ZINC000293788503	mid	7.41	-103.89	2	361.486	0.801	3	3	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1
342602889	ZINC000617005861	ref	4.29	-35.71	1	291.399	1.606	2	4	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1
342602890	ZINC000617005861	mid	5.85	-35.32	1	291.399	1.606	2	4	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1
342602891	ZINC000617005861	high	2.96	-8.2	0	291.399	1.606	1	5	4	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cn(C2CCC2)nn1
398249884	ZINC000381274251	ref	3.35	-35.13	1	229.364	1.796	2	2	6	CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@@H](O)C1(C)C)OC
342602892	ZINC000617006213	ref	4.03	-43.28	1	286.326	1.881	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(F)F
168365646	ZINC000368505083	ref	7.45	-8.46	0	327.811	3.218	2	2	3	O=C(N[C@H]1Cc2ccccc2[C@H]1O)[C@@H]1C[C@H]1c1ccc(Cl)cc1
282123767	ZINC000248984004	ref	2.43	-13.47	0	314.426	1.095	2	4	8	CO[C@H](C)CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C)OC)C1
197610341	ZINC000290142869	ref	4.53	-13.1	0	297.311	2.148	2	5	6	COc1ccc(NC(=O)N[C@H](C)[C@H](C)OC)cc1[N+](=O)[O-]
168365647	ZINC000368502272	ref	9.12	-12.57	0	339.439	3.458	0	4	4	CCc1c(C(=O)N2CC3CCC2CC3)cnn1-c1ccccc1OC
178325334	ZINC000237696547	ref	6.21	-52.39	1	351.397	1.824	2	2	5	O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
178325336	ZINC000237703202	ref	6.22	-87.93	2	362.522	1.689	3	4	5	C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1
259310645	ZINC000526045962	ref	4.34	-10.37	0	229.283	1.593	1	3	4	CCc1cccc(Cn2cc(C(N)=O)cn2)c1
342602893	ZINC000617006213	mid	5.65	-42.5	1	286.326	1.881	2	3	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C(F)F
342089719	ZINC000051923327	ref	7.11	-52.54	1	278.4	1.64	1	3	5	CCn1ccnc1C[NH2+]C1CCN(C(=O)C(C)C)CC1
214201256	ZINC000278511386	ref	6.67	-12.96	0	304.39	2.589	1	3	5	CCN1C[C@H](C(=O)Nc2ccc(C)c(OC(C)C)c2)CC1=O
136230284	ZINC000295639473	ref	5.46	-7.92	0	243.306	1.611	2	2	5	C#Cc1ccc(CNC(=O)C[C@@](C)(O)C=C)cc1
398249887	ZINC000381271373	ref	1.55	-46.95	1	225.296	0.085	2	4	6	CCCNC(=O)Cn1cc([C@H](C)[NH2+]C)nn1
398249889	ZINC000381271373	mid	0.3	-19.44	0	225.296	0.085	2	5	6	CCCNC(=O)Cn1cc([C@H](C)NC)nn1
365650630	ZINC000625120383	mid	3.32	-41.32	1	305.353	2.389	2	4	4	Cc1nnc([C@@H]2CCC[N@@H+](Cc3cc(CO)ccc3F)C2)o1
398249891	ZINC000381277309	ref	7.41	-37.34	1	227.392	3.217	1	1	8	CC[C@@H](C)[C@@H](C[NH2+]CC1(CC)CCC1)OC
398249893	ZINC000381274642	ref	5.61	-34.96	1	231.38	2.452	1	2	8	CC[C@H](C)[C@@H](C[NH2+]CCOC(C)(C)C)OC
214201261	ZINC000278511792	ref	8.76	-17.68	0	318.352	2.479	1	5	7	CN(C)c1cc(NC(=O)CCCOc2ccc(F)cc2)ncn1
365650635	ZINC000625120383	mid	-0.61	-11.85	0	305.353	2.389	1	5	4	Cc1nnc([C@@H]2CCCN(Cc3cc(CO)ccc3F)C2)o1
178325345	ZINC000002385700	ref	8.65	-6.89	0	219.265	3.632	0	3	2	Cc1ccc(-c2ccc([N+](=O)[O-])s2)cc1
398249895	ZINC000381271687	ref	6.5	-35.12	1	243.416	2.365	2	2	2	CC1(C)C[N@H+](C[C@@H]2CCC[C@@H](O)C2)CCS1
365650639	ZINC000625120421	ref	9.32	-84.94	2	323.525	2.292	2	2	8	CCO[C@H](C[NH+]1CCN(CC[N@@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
365650645	ZINC000625120421	mid	8.76	-85.8	2	323.525	2.292	2	2	8	CCO[C@H](C[NH+]1CCN(CC[N@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
398249897	ZINC000381271687	mid	6.5	-35.18	1	243.416	2.365	2	2	2	CC1(C)C[N@@H+](C[C@@H]2CCC[C@@H](O)C2)CCS1
365650649	ZINC000625120421	mid	6.9	-30.0	1	323.525	2.292	1	3	8	CCO[C@H](CN1CCN(CC[N@@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
178325353	ZINC000016083100	ref	9.25	-6.76	0	213.236	3.57	0	2	2	Cc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1
178325360	ZINC000002565437	ref	7.2	-53.91	-1	228.247	3.066	1	3	2	Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)cc1
398249899	ZINC000381275429	ref	0.19	-104.52	2	213.325	0.215	3	1	5	C[C@H](CC[NH3+])NC(=O)[C@H]1CCC[C@H]1C[NH3+]
398249902	ZINC000381271372	ref	1.56	-45.65	1	225.296	0.085	2	4	6	CCCNC(=O)Cn1cc([C@@H](C)[NH2+]C)nn1
398249904	ZINC000381271372	mid	0.3	-19.83	0	225.296	0.085	2	5	6	CCCNC(=O)Cn1cc([C@@H](C)NC)nn1
349536086	ZINC000594970574	mid	8.2	-44.9	1	280.375	2.726	1	3	4	CC(C)([NH2+]Cc1cc2n(n1)CCC2)c1cccc(C#N)c1
398249906	ZINC000381272447	ref	1.76	-7.2	0	227.312	0.361	1	6	7	CC[C@@H](C)[C@@H](CNCc1nnn(C)n1)OC
398249907	ZINC000381272447	low	3.15	-41.81	1	227.312	0.361	1	5	7	CC[C@@H](C)[C@@H](C[NH2+]Cc1nnn(C)n1)OC
398249888	ZINC000651467435	ref	9.68	-8.49	0	259.357	3.008	1	5	3	C[C@@H](Nc1ncnc2c1ncn2C1CC1)C(C)(C)C
398249890	ZINC000651466494	ref	6.97	-10.33	0	277.364	3.006	0	3	2	C[C@@H]1CC[C@@H](C(=O)N2CCO[C@@H](c3ccco3)C2)CC1
342602894	ZINC000617006213	high	2.67	-8.87	0	286.326	1.881	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccnn1C(F)F
398249892	ZINC000651467877	ref	9.07	-39.5	1	299.418	3.34	1	3	7	C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1-n1cccn1
342602895	ZINC000617006169	ref	5.84	-39.84	1	292.427	1.903	2	3	5	C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cnn(C)c1
398249894	ZINC000651467301	ref	6.79	-47.65	1	262.397	3.166	1	2	6	Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)c(C)n1
398249896	ZINC000651468049	ref	8.33	-35.31	1	294.826	3.063	2	2	4	COc1cc(CNC2C[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1Cl
214201258	ZINC000053837721	low	10.51	-32.35	1	349.434	4.207	1	3	5	Cc1cccn2cc(-c3ccc(NC(=O)CC[C@H]4CCCO4)cc3)[nH+]c12
342602896	ZINC000617006169	mid	7.09	-39.62	1	292.427	1.903	2	3	5	C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1cnn(C)c1
306234761	ZINC000557926091	ref	5.18	-46.65	1	335.452	1.139	3	4	5	Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1
342602897	ZINC000617006169	high	4.06	-9.66	0	292.427	1.903	1	4	5	C[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cnn(C)c1
323005553	ZINC000561691762	ref	4.13	-8.73	0	227.214	1.168	1	3	3	Cc1cc(C(=O)N[C@H]2C[C@@H]2C(F)F)ncn1
197610346	ZINC000163076146	ref	7.36	-12.4	0	321.833	3.308	1	3	3	CN(C(=O)c1c[nH]nc1-c1cccc(Cl)c1)[C@@H]1CCSC1
168365651	ZINC000368503285	ref	6.87	-42.17	1	340.427	3.012	3	3	5	C[NH+]1CCC(Oc2ccc(NC(=O)c3cc[nH]c3C3CC3)cn2)CC1
168365653	ZINC000368503285	high	4.5	-10.6	0	340.427	3.012	2	4	5	CN1CCC(Oc2ccc(NC(=O)c3cc[nH]c3C3CC3)cn2)CC1
178325338	ZINC000237704298	ref	4.34	-55.85	1	351.834	1.751	2	3	3	O=C(Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)C1CC[NH2+]CC1
342602898	ZINC000617006185	ref	5.73	-42.5	1	278.396	1.591	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
178325340	ZINC000237701802	ref	3.95	-48.35	1	365.499	1.395	2	3	6	C[C@@H](C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H]([NH3+])c1ccccc1
342602899	ZINC000617006185	mid	7.29	-41.75	1	278.396	1.591	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
342602900	ZINC000617006185	mid	4.38	-11.56	0	278.396	1.591	1	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
342602901	ZINC000617006252	ref	6.33	-33.85	1	291.399	1.291	2	4	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1
178325341	ZINC000237701802	high	3.63	-14.56	0	365.499	1.395	2	4	6	C[C@@H](C(=O)NC1CCN(S(=O)(=O)C2CC2)CC1)[C@H](N)c1ccccc1
178325343	ZINC000237703822	ref	5.16	-47.78	1	357.38	1.944	3	4	6	O=C(CC1C[C@@H]2CC[C@H](C1)[NH2+]2)NCCNc1nccc(C(F)(F)F)n1
365650634	ZINC000274397840	mid	4.63	-46.29	1	289.379	1.388	3	2	4	CC(C)[N@H+]1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1
365650638	ZINC000274397840	high	1.68	-11.73	0	289.379	1.388	2	3	4	CC(C)N1CCC[C@H](NC(=O)c2ccc(C(N)=O)cc2)C1
185091569	ZINC000096081351	mid	5.18	-10.57	0	295.346	1.251	0	5	3	O=C1C[C@H]2[C@H](CCN2Cc2ccccn2)N1c1cncnc1
365650647	ZINC000274399095	ref	4.42	-39.76	1	290.363	1.422	2	3	7	C[C@H](O)CC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O
214201259	ZINC000293788503	mid	7.69	-103.6	2	361.486	0.801	3	3	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)[C@@H]1C[NH+](Cc2ccccc2)CCO1
214201262	ZINC000293788503	high	3.65	-12.81	0	361.486	0.801	1	5	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1
214201265	ZINC000293785677	ref	1.03	-14.63	0	370.471	0.987	2	5	8	CCN(CC)S(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1
214201269	ZINC000293779123	ref	1.8	-16.68	0	369.443	0.942	2	5	6	CCS(=O)(=O)Nc1ccc(NC(=O)C(=O)N2CC[C@H]2COC)cc1C
214201272	ZINC000293792437	ref	4.31	-30.55	0	365.455	0.919	0	4	4	CN(C(=O)c1cccc(N2CCCC2=O)c1)[C@H]1CCN(S(C)(=O)=O)C1
197610344	ZINC000290145424	ref	-0.48	-13.85	0	295.307	0.329	2	4	6	C[C@@H](O)CN(CCO)S(=O)(=O)c1cccc(F)c1F
365650659	ZINC000274398477	ref	3.1	-20.56	0	289.36	1.784	2	3	2	NC(=O)N1CC[C@@H](NC(=O)c2cccc3ccsc23)C1
197610345	ZINC000290144674	ref	7.84	-8.51	0	278.333	2.199	0	6	5	CCn1cc(C(=O)C(=O)OCc2csc(C)c2)cn1
214201276	ZINC000293780884	ref	1.39	-20.16	0	369.422	0.37	2	6	8	C[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCCCc1cnn(C)n1
365650669	ZINC000274398112	ref	4.2	-53.82	1	264.369	1.727	2	2	7	COc1ccccc1C[C@@H](C)CC(=O)N[C@H](C)C[NH3+]
214201280	ZINC000293780884	high	1.26	-56.77	-1	369.422	0.37	1	6	8	C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCCCc1cnn(C)n1
342602902	ZINC000617006252	mid	4.82	-36.48	1	291.399	1.291	2	4	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1
214201285	ZINC000293787017	ref	-1.37	-23.38	0	364.42	0.039	2	5	4	CNS(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)ccc1F
365650679	ZINC000274400418	ref	2.4	-13.61	0	295.364	1.395	2	5	5	Cc1noc(C)c1CCNS(=O)(=O)c1ccccc1N
178325346	ZINC000237684998	ref	5.81	-46.51	1	358.398	1.858	2	6	7	Cc1noc(CCC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)n1
178325349	ZINC000237688785	ref	3.92	-61.41	1	365.499	1.526	1	3	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)C1
178325352	ZINC000237682556	ref	6.95	-89.1	2	362.522	1.607	3	4	5	Cc1c(C(=O)N[C@H](C)C[N@@H+]2C[C@@H](C)C[C@@H](C)C2)nnn1C1CC[NH2+]CC1
178325355	ZINC000237682556	mid	7.04	-89.76	2	362.522	1.607	3	4	5	Cc1c(C(=O)N[C@H](C)C[N@H+]2C[C@@H](C)C[C@@H](C)C2)nnn1C1CC[NH2+]CC1
178325357	ZINC000237682556	high	4.66	-49.83	1	362.522	1.607	2	5	5	Cc1c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@@H](C)C2)nnn1C1CC[NH2+]CC1
342602903	ZINC000617006252	high	3.26	-9.14	0	291.399	1.291	1	5	5	CC(C)(C)N1CC[C@H]1CNC(=O)c1cn(CC2CC2)nn1
178325359	ZINC000237696475	ref	6.14	-57.58	1	362.227	1.801	2	3	2	Cn1cc(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc(Br)c1=O
342602904	ZINC000617005836	ref	3.45	-46.42	1	294.399	1.169	2	4	5	COCc1nn(C)cc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
365650641	ZINC000641615601	ref	4.5	-16.15	0	298.354	1.153	2	7	5	CC(C)c1n[nH]c(CNc2ccc(-c3ccnn3C)nn2)n1
365650648	ZINC000641615601	high	4.37	-43.1	-1	298.354	1.153	1	7	5	CC(C)c1n[n-]c(CNc2ccc(-c3ccnn3C)nn2)n1
365650654	ZINC000641612380	ref	1.49	-11.77	0	264.397	1.093	1	5	4	Cc1cc(S(=O)(=O)NCC2CSC2)sn1
365650661	ZINC000641612380	mid	1.12	-35.11	-1	264.397	1.093	0	5	4	Cc1cc(S(=O)(=O)[N-]CC2CSC2)sn1
178325362	ZINC000237696475	mid	4.76	-18.29	0	362.227	1.801	2	4	2	Cn1cc(NC(=O)[C@@H]2Cc3ccccc3CN2)cc(Br)c1=O
178325364	ZINC000237701949	ref	3.86	-54.28	1	355.442	1.312	3	3	5	Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)[nH]n2)cc1
365650668	ZINC000641615133	ref	3.26	-15.34	0	260.297	1.132	2	5	2	CC1(C)OCC[C@H]1Nc1ccc2nc[nH]c(=O)c2n1
365650674	ZINC000641615705	ref	4.54	-17.53	0	293.339	1.094	1	4	6	CC1(C)[C@H](CNS(=O)(=O)CCn2ccnc2)C1(F)F
365650681	ZINC000641615705	low	5.05	-48.98	1	293.339	1.094	1	3	6	CC1(C)[C@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1(F)F
365650687	ZINC000480067823	ref	1.69	-10.61	0	263.337	1.053	2	3	3	Cc1cccc([C@@H](C)C(=O)N2C[C@@H](O)C[C@H]2CO)c1
259310646	ZINC000322871242	ref	6.43	-39.37	1	247.382	3.237	2	1	7	CCC[C@@H]([NH2+]Cc1cccc(CO)c1)C1CCC1
349536089	ZINC000621245287	ref	5.25	-5.81	0	260.337	2.096	2	2	3	Cc1ccc(NC(=O)C(=O)NCC2CC(C)C2)cc1
365650700	ZINC000641614931	ref	8.33	-14.06	0	280.335	1.968	2	5	4	Cc1nc(NCc2nnc(C3CC3)[nH]2)nc2ccccc12
365650643	ZINC000173008934	ref	4.37	-15.46	0	266.297	1.429	0	5	4	Cc1cnc(COC(=O)CN2CCCCCC2=O)o1
398249898	ZINC000651468049	mid	8.64	-35.09	1	294.826	3.063	2	2	4	COc1cc(CNC2C[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1Cl
342089720	ZINC000051923327	high	5.93	-12.62	0	278.4	1.64	1	4	5	CCn1ccnc1CNC1CCN(C(=O)C(C)C)CC1
342089721	ZINC000139203159	ref	6.49	-8.67	0	253.254	1.022	1	5	5	CCOC(=O)[C@](O)(C[N+](=O)[O-])c1ccc(C)cc1
214201260	ZINC000337658843	mid	2.43	-8.68	0	255.406	2.064	2	2	7	CC(C)CC(C)(C)CNC(=O)NCCN1CCC1
222609557	ZINC000222526182	ref	9.58	-15.91	0	394.496	3.784	0	3	6	CN(Cc1ccccc1)C(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1
168365652	ZINC000037090437	ref	4.62	-4.62	0	225.336	2.378	1	4	8	CCC(CC)CNc1cnn(CCOC)c1
342089722	ZINC000600317556	ref	6.62	-15.64	0	289.331	1.407	0	4	3	COC(=O)c1ccc(CC(=O)N2CC3(CCCO3)C2)cc1
214201264	ZINC000337658109	ref	9.09	-8.0	0	270.376	3.463	1	1	3	C[C@@H]1c2ccccc2CN1C(=O)NCC1(C2CC2)CC1
214201266	ZINC000337659642	ref	10.2	-19.67	0	267.336	2.486	0	5	3	CCN(C)c1nnc(-c2cccc3cccnc23)n1C
214201271	ZINC000337658657	ref	3.82	-14.75	0	288.351	0.72	2	5	7	COCC1(CNC(=O)CNc2ccc(C#N)cn2)CCC1
342089723	ZINC000600317579	ref	6.47	-11.35	0	281.352	1.356	0	4	2	CC(C)(C)OC(=O)[C@@H]1C[C@H]1C(=O)N1CC2(CCCO2)C1
214201278	ZINC000337658379	ref	6.01	-12.0	0	279.361	3.356	0	5	5	COc1cccc(OC)c1OCc1nc(C)sc1C
342089724	ZINC000600317576	ref	4.63	-11.26	0	279.292	1.38	0	5	2	COC(=O)c1oc(C(=O)N2CC3(CCCO3)C2)cc1C
342089725	ZINC000046868259	ref	4.65	-39.86	1	276.384	1.779	2	3	4	Cc1cnc(C(=O)NCC2([NH+](C)C)CCCCC2)cn1
342089726	ZINC000600317402	ref	4.55	-22.31	0	293.388	1.358	0	3	3	C[S@](=O)c1ccc(CC(=O)N2CC3(CCCO3)C2)cc1
342089727	ZINC000588344172	ref	3.46	-16.07	0	297.399	1.669	2	4	9	CC(C)(CCC#N)CNC(=O)NCCOC[C@H]1CCOC1
342089728	ZINC000046868793	ref	0.63	-18.62	0	291.307	1.012	3	4	6	CCOc1ccc(NC(=O)CC[C@@H]2NC(=O)NC2=O)cc1
342089729	ZINC000046868793	high	-1.19	-48.82	-1	291.307	1.012	2	4	6	CCOc1ccc(NC(=O)CC[C@@H]2NC(=O)[N-]C2=O)cc1
342089730	ZINC000600317340	ref	6.1	-9.66	0	255.383	1.911	0	3	4	CSCC1(CC(=O)N2CC3(CCCO3)C2)CC1
342089731	ZINC000307863273	ref	2.81	-9.55	0	254.717	1.722	1	3	1	O=C(c1cncc(Cl)c1)N1CCC[C@@H](O)CC1
342089732	ZINC000008006833	ref	5.47	-19.8	0	287.319	1.867	1	5	5	Cc1nn(C)c(C)c1NC(=O)COc1cccc(C=O)c1
342089733	ZINC000600317517	ref	4.53	-11.57	0	279.292	1.38	0	5	2	COC(=O)c1cc(C(=O)N2CC3(CCCO3)C2)c(C)o1
398249900	ZINC000651468049	mid	8.2	-111.43	2	294.826	3.063	2	1	4	COc1cc(C[NH2+]C2C[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1Cl
214201268	ZINC000053827067	ref	9.21	-43.04	1	328.25	4.461	1	1	4	C[NH2+][C@@H](Cc1cc(Br)cs1)c1ccc(C)c(F)c1
365650644	ZINC000336563167	ref	5.68	-6.84	0	277.299	2.34	1	3	3	CCN(C(=O)Nc1ccc(F)cc1C#N)[C@H]1CCOC1
342089734	ZINC000051923168	ref	2.22	-14.36	0	288.351	1.237	3	5	7	CCn1ccnc1CNc1ccc(C(=O)NCCO)cc1
342089735	ZINC000051923168	low	2.78	-41.84	1	288.351	1.237	3	4	7	CCn1cc[nH+]c1CNc1ccc(C(=O)NCCO)cc1
342089736	ZINC000600317399	ref	5.79	-9.28	0	269.341	1.357	0	4	4	CCOC(=O)C(C)(C)CC(=O)N1CC2(CCCO2)C1
342089737	ZINC000600317555	ref	6.46	-11.65	0	293.363	1.501	0	4	2	COC(=O)C1(C(=O)N2CC3(CCCO3)C2)CC2(CCC2)C1
342089738	ZINC000600317546	ref	7.04	-16.35	0	295.379	1.746	0	4	3	CC(C)(C)OC(=O)[C@@H](C(=O)N1CC2(CCCO2)C1)C1CC1
342089739	ZINC000600317403	ref	4.55	-23.76	0	293.388	1.358	0	3	3	C[S@@](=O)c1ccc(CC(=O)N2CC3(CCCO3)C2)cc1
342089740	ZINC000600317295	ref	6.11	-10.46	0	260.337	1.852	0	3	1	N#C[C@]1(C(=O)N2CC3(CCCO3)C2)CC12CCCC2
342089741	ZINC000307863276	ref	2.88	-9.32	0	254.717	1.722	1	3	1	O=C(c1cncc(Cl)c1)N1CCC[C@H](O)CC1
282123768	ZINC000533474849	ref	3.52	-6.12	0	290.363	1.553	2	3	2	Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)O)C2)cc1
365650651	ZINC000336563303	ref	8.93	-11.69	0	281.359	2.456	1	2	2	O=C([C@@H]1Cc2ccccc21)N1CCC(c2c[nH]cn2)CC1
365650656	ZINC000336563303	mid	8.9	-13.27	0	281.359	2.456	1	2	2	O=C([C@@H]1Cc2ccccc21)N1CCC(c2cnc[nH]2)CC1
342089742	ZINC000046868405	ref	5.66	-37.05	1	265.357	1.977	2	3	4	Cc1cc(C(=O)NCC2([NH+](C)C)CCCCC2)no1
342089743	ZINC000600317289	ref	5.54	-13.49	0	269.341	1.356	0	4	2	C[C@H](C(=O)OC(C)(C)C)C(=O)N1CC2(CCCO2)C1
342089744	ZINC000600317376	ref	6.27	-12.28	0	281.352	1.5	0	4	2	CC(C)(C)OC(=O)C1(C(=O)N2CC3(CCCO3)C2)CC1
342089745	ZINC000600317387	ref	6.49	-17.47	0	294.282	1.668	0	4	3	O=C(Cc1ccc(F)cc1[N+](=O)[O-])N1CC2(CCCO2)C1
342089746	ZINC000146085201	ref	3.13	-44.43	-1	253.254	1.31	0	6	4	CC1(C)OC[C@@H](COc2ccc(C(=O)[O-])cn2)O1
342089747	ZINC000600317349	ref	6.19	-14.45	0	299.367	1.125	0	5	3	CO[C@@](C)(C(=O)OC(C)(C)C)C(=O)N1CC2(CCCO2)C1
342089748	ZINC000051924024	ref	6.86	-35.98	1	250.39	1.723	2	3	6	CCn1ccnc1CNC[C@H]1CC[N@@H+](C(C)C)C1
178325367	ZINC000237701949	mid	4.04	-60.1	1	355.442	1.312	3	3	5	Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)n[nH]2)cc1
168367882	ZINC000163507870	mid	4.9	-109.11	2	168.284	1.066	2	0	3	C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC2CC2)C1
185091571	ZINC000096081681	ref	4.49	-10.67	0	294.42	1.611	0	4	3	CC(C)N1CCO[C@H]2CN(C(=O)Cc3cccs3)C[C@H]21
185091573	ZINC000096081681	mid	6.89	-37.5	1	294.42	1.611	1	3	3	CC(C)[N@@H+]1CCO[C@H]2CN(C(=O)Cc3cccs3)C[C@H]21
349536091	ZINC000594971328	ref	4.09	-8.89	0	294.392	2.52	1	5	8	CSCc1cnc(CNCCO[C@@H]2CC2(F)F)s1
349536095	ZINC000594971328	mid	5.52	-43.59	1	294.392	2.52	1	4	8	CSCc1cnc(C[NH2+]CCO[C@@H]2CC2(F)F)s1
185091574	ZINC000096081681	mid	6.5	-42.64	1	294.42	1.611	1	3	3	CC(C)[N@H+]1CCO[C@H]2CN(C(=O)Cc3cccs3)C[C@H]21
185091576	ZINC000096081115	ref	5.29	-15.81	0	258.321	1.027	1	2	2	Cc1ccc(CC(=O)N2CC[C@H]3NC(=O)C[C@H]32)cc1
210256289	ZINC000000641555	ref	3.7	-11.68	0	366.801	4.018	2	5	6	COc1ccc(OC)c(NC(=O)Nc2cc(OC)c(Cl)cc2OC)c1
178325370	ZINC000237701997	ref	4.65	-52.72	1	356.426	1.577	2	4	5	Cc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(=O)NCC[NH3+])C3)on2)cc1
178325373	ZINC000237685019	ref	3.39	-62.74	1	373.478	1.974	3	3	7	Cc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1
185091577	ZINC000096081186	ref	4.59	-16.37	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@@H]2[C@@H]1CCN2C(=O)c1occc1C
178325375	ZINC000237686243	ref	6.39	-50.61	-1	369.215	1.701	1	4	5	Cc1cc(N2C[C@H](C(=O)NCCC(=O)[O-])CC2=O)ccc1Br
178325378	ZINC000237682681	ref	8.32	-59.25	-1	361.373	1.944	0	6	4	Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2F)n1
178325381	ZINC000237690419	ref	4.58	-11.33	0	356.344	1.514	1	4	3	O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@H]2COCCN2)CC1
210256294	ZINC000000646288	ref	7.19	-9.45	0	352.312	3.516	1	3	3	CN(Cc1ccccc1)C(=O)NC1(C(F)(F)F)Oc2ccccc2O1
365650646	ZINC000623090229	mid	4.5	-33.91	1	302.422	1.443	2	4	8	CN(CC[N@@H+](C)CCO)Cc1ccccc1-c1ccnn1C
185091579	ZINC000096081256	ref	6.32	-15.78	0	276.361	1.749	0	3	3	C=CCN1C(=O)C[C@@H]2[C@H]1CCN2C(=O)c1ccsc1
178325384	ZINC000237690419	mid	5.89	-41.66	1	356.344	1.514	1	3	3	O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1
365650652	ZINC000623090229	high	2.09	-7.15	0	302.422	1.443	1	5	8	CN(CCO)CCN(C)Cc1ccccc1-c1ccnn1C
398254092	ZINC000290928379	ref	6.88	-9.93	0	231.299	1.275	0	3	2	C#CCC(C)(C)C(=O)N1CCn2cncc2C1
282123769	ZINC000449156323	mid	2.27	-8.25	0	287.363	2.432	1	5	7	COc1nccnc1CNCC(C)(C)Oc1ccccc1
282123775	ZINC000449156704	ref	1.9	-39.45	1	266.366	2.03	2	4	6	CS[C@@H](CO)[C@H](C)[NH2+]Cc1cc2cccnc2o1
178325376	ZINC000038068115	ref	9.36	-51.07	-1	230.238	3.499	0	2	2	Cc1ccc(-c2ccc(F)cc2C(=O)[O-])cc1
178325379	ZINC000065374332	ref	4.29	-13.53	0	247.319	2.461	0	3	2	Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cn1
214201274	ZINC000278511116	ref	6.5	-41.4	1	306.475	2.091	2	3	5	O[C@@H](CN1CC[NH+](C[C@@H]2CCSC2)CC1)c1ccccc1
178325383	ZINC000020390942	ref	7.34	-45.56	1	211.308	3.682	1	0	2	Cc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1
349536093	ZINC000621244255	ref	3.83	-9.17	0	254.305	2.434	2	2	6	CCCCNC(=O)NCc1cc(OC)ccc1F
349536096	ZINC000621246766	ref	5.88	-38.49	1	271.368	2.309	2	4	3	CC(C)[NH+]1CCC(Nc2nccc3nccnc23)CC1
199273360	ZINC000181265335	ref	5.29	-19.79	0	301.346	1.763	2	3	4	COc1cccc2[nH]cc(CC(=O)NN3CCCCC3=O)c12
168365654	ZINC000368505825	ref	4.44	-9.21	0	332.4	3.184	1	3	4	CN1Cc2cccc(NS(=O)(=O)/C=C/c3ccc(F)cc3)c2C1
178325387	ZINC000248079336	ref	3.06	-10.81	0	240.262	2.388	1	3	1	Cc1ccc(-c2ccc3c(n2)OCC(=O)N3)cc1
398249901	ZINC000651468049	mid	8.51	-111.52	2	294.826	3.063	2	1	4	COc1cc(C[NH2+]C2C[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1Cl
178325397	ZINC000002650294	ref	8.16	-6.35	0	234.245	4.263	0	1	3	Cc1ccc(-c2ccc(OC(F)F)cc2)cc1
342089749	ZINC000051924024	mid	6.77	-36.18	1	250.39	1.723	2	3	6	CCn1ccnc1CNC[C@H]1CC[N@H+](C(C)C)C1
398249903	ZINC000651468049	high	6.15	-42.57	1	294.826	3.063	1	2	4	COc1cc(C[NH2+]C2C[C@@H]3CC[C@H](C2)N3C)ccc1Cl
398249905	ZINC000651467840	ref	6.6	-38.24	1	287.354	3.104	1	3	6	CCn1ccnc1[C@H](C)[NH2+]C1CCC(OC(F)F)CC1
214201275	ZINC000278511116	high	4.44	-5.19	0	306.475	2.091	1	4	5	O[C@@H](CN1CCN(C[C@@H]2CCSC2)CC1)c1ccccc1
342089750	ZINC000051924024	low	8.18	-104.95	2	250.39	1.723	2	2	6	CCn1ccnc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1
342089751	ZINC000051924024	low	8.12	-105.26	2	250.39	1.723	2	2	6	CCn1ccnc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1
398249908	ZINC000651467840	high	5.49	-8.5	0	287.354	3.104	1	4	6	CCn1ccnc1[C@H](C)NC1CCC(OC(F)F)CC1
214201279	ZINC000278511533	ref	6.07	-11.12	0	322.409	1.74	1	5	6	CCN(CCOC)C(=O)C(=O)Nc1cnn(C2CCCC2)c1C
349536100	ZINC000621246499	ref	5.27	-10.34	0	293.754	2.365	1	4	6	CCn1ncc(Cl)c1C(=O)NCCOc1ccccc1
398249909	ZINC000381277584	ref	7.35	-36.82	1	227.392	3.217	1	1	8	CC[C@H](C)[C@@H](C[NH2+]CC1(CC)CCC1)OC
398249911	ZINC000381277221	ref	3.6	-48.37	1	228.361	1.222	1	2	1	CC1([NH3+])CCN(C(=O)[C@H]2CCCS2)CC1
178325392	ZINC000237688415	ref	2.49	-70.69	1	353.469	1.819	2	5	6	Cc1ccccc1-c1csc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)n1
178325395	ZINC000237688415	mid	2.2	-18.78	0	353.469	1.819	2	6	6	Cc1ccccc1-c1csc(NC(=O)[C@H](N)CCS(C)(=O)=O)n1
178325398	ZINC000237698171	ref	6.47	-55.44	1	360.458	1.336	2	4	6	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[NH2+]C[C@@H]3CCCO3)C2)nc1
178325399	ZINC000237698171	high	5.05	-17.4	0	360.458	1.336	2	5	6	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CNC[C@@H]3CCCO3)C2)nc1
178325402	ZINC000237691519	ref	5.22	-59.82	1	360.458	1.344	3	3	4	Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)cc1
178325405	ZINC000237691519	mid	3.85	-16.83	0	360.458	1.344	3	4	4	Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3CNCCO3)C2)cc1
178325409	ZINC000237692210	ref	2.08	-46.15	1	364.396	1.574	2	4	7	O=C(CCc1ncc(-c2ccc(F)cc2F)o1)NCCN1CC[NH2+]CC1
178325415	ZINC000237698757	ref	2.84	-73.71	0	370.457	1.102	2	5	6	Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@H](C[NH3+])C1CCCCC1
178325418	ZINC000237698757	mid	4.02	-53.99	1	370.457	1.102	3	5	6	Cc1nc(-c2ncccn2)[nH]c(=O)c1CC(=O)N[C@H](C[NH3+])C1CCCCC1
178325420	ZINC000237704314	ref	4.47	-47.26	1	363.483	1.764	3	3	5	Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1S(=O)(=O)NC1CC1
178325423	ZINC000237691909	ref	1.5	-50.41	1	365.377	1.584	2	4	5	O=S(=O)(NC1C[C@@H]2CC[C@H](C1)[NH2+]2)c1ccc(OCC(F)(F)F)nc1
178325424	ZINC000237697961	ref	1.44	-54.06	1	370.381	1.733	3	5	7	Cc1sc(NC(=O)CNC(=O)C[NH3+])nc1-c1ccc(OC(F)F)cc1
178325428	ZINC000237697961	mid	1.04	-14.34	0	370.381	1.733	3	6	7	Cc1sc(NC(=O)CNC(=O)CN)nc1-c1ccc(OC(F)F)cc1
178325430	ZINC000237693419	ref	8.68	-48.12	1	361.511	1.303	1	3	4	Cc1ccc(CC(=O)N2CCN(C(=O)C[C@H]3CSCC[NH2+]3)CC2)cc1
342602905	ZINC000617005836	mid	4.7	-45.86	1	294.399	1.169	2	4	5	COCc1nn(C)cc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
178325433	ZINC000237693419	high	7.63	-14.56	0	361.511	1.303	1	4	4	Cc1ccc(CC(=O)N2CCN(C(=O)C[C@H]3CSCCN3)CC2)cc1
349536099	ZINC000594970123	ref	7.63	-50.17	1	266.348	2.682	1	3	4	Cc1nccc(C[NH2+]C(C)(C)c2cccc(C#N)c2)n1
398254093	ZINC000381354735	ref	6.85	-39.46	1	239.384	2.697	1	2	7	COCC1(C[NH2+]CCc2cccs2)CCC1
365650653	ZINC000625120421	mid	6.31	-31.1	1	323.525	2.292	1	3	8	CCO[C@H](CN1CCN(CC[N@H+]2[C@@H](C)CC[C@H]2C)CC1)C1CC1
365650658	ZINC000625119601	ref	8.47	-16.27	0	315.417	2.383	1	4	8	Cc1ccccc1CO[C@@H](C)C(=O)NCCCc1cnn(C)c1
365650665	ZINC000625121719	ref	4.84	-9.54	0	307.481	2.007	1	4	8	CCO[C@H](CS(=O)(=O)NC[C@@H]1CCCCS1)C1CC1
365650671	ZINC000625120122	ref	3.97	-11.39	0	313.463	2.336	2	3	9	CCC(C)(C)CS(=O)(=O)NC[C@@H](O)CCc1ccccc1
398249910	ZINC000651465715	ref	7.85	-37.17	1	284.407	3.34	2	2	3	Cc1n[nH]cc1[C@@H](C)[NH2+][C@H]1CCCN(C)c2ccccc21
197610382	ZINC000163078682	ref	6.31	-18.3	0	300.181	2.348	1	4	4	Cc1cnc(NC(=O)CSCC#N)c(Br)c1
342089752	ZINC000600317336	ref	4.55	-17.42	0	279.292	1.0	0	5	3	COC(=O)Cc1occc1C(=O)N1CC2(CCCO2)C1
342089753	ZINC000618612772	ref	5.21	-10.84	0	296.317	1.966	2	2	5	C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@@]1(C)CC1(F)F
342089754	ZINC000600317299	ref	6.14	-7.95	0	260.337	1.852	0	3	1	N#C[C@@]1(C(=O)N2CC3(CCCO3)C2)CC12CCCC2
342089755	ZINC000046862854	ref	2.27	-25.3	0	256.265	1.971	1	5	3	Cc1nc2cc(NC(=O)Cn3cccn3)ccc2o1
342089756	ZINC000308679284	ref	5.08	-42.34	1	262.357	1.268	3	3	4	CC(C)(C[NH+]1CCCC1)NC(=O)c1ccc(N)nc1
342089757	ZINC000308679284	high	2.95	-7.88	0	262.357	1.268	2	4	4	CC(C)(CN1CCCC1)NC(=O)c1ccc(N)nc1
342089758	ZINC000150925280	ref	4.39	-13.73	0	285.409	1.604	0	3	1	O=C([C@@H]1CCS(=O)(=O)C1)N1CCC2(CCCC2)CC1
342089759	ZINC000621365977	ref	3.47	-6.79	0	251.374	1.914	1	4	4	CC(C)n1ccnc1CN1CC[C@@H](C)[C@@H](CO)C1
342089760	ZINC000621365977	mid	5.93	-33.64	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342089761	ZINC000621365977	mid	5.24	-34.6	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342089762	ZINC000600317534	ref	6.01	-13.91	0	283.368	1.746	0	4	2	CC(C)(C)OC(=O)C(C)(C)C(=O)N1CC2(CCCO2)C1
342089763	ZINC000618612773	ref	5.21	-10.02	0	296.317	1.966	2	2	5	C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@@]1(C)CC1(F)F
342089764	ZINC000310947307	ref	4.27	-40.64	1	254.374	1.165	2	2	5	COCC(C)(C)CNC(=O)[C@H]1CC12CC[NH2+]CC2
342089765	ZINC000600317338	ref	6.0	-12.11	0	281.352	1.501	0	4	3	CCOC(=O)C1(C(=O)N2CC3(CCCO3)C2)CCCC1
342089766	ZINC000621365815	ref	4.76	-36.3	1	276.38	1.884	3	2	4	Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@H](CO)C2)cc1
342089767	ZINC000621365815	mid	5.23	-39.01	1	276.38	1.884	3	2	4	Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)cc1
342089768	ZINC000621365815	mid	3.06	-12.3	0	276.38	1.884	2	3	4	Cc1ccc(NC(=O)CN2CC[C@@H](C)[C@H](CO)C2)cc1
342089769	ZINC000600317293	ref	6.39	-16.95	0	269.341	1.356	0	4	2	C[C@@H](C(=O)OC(C)(C)C)C(=O)N1CC2(CCCO2)C1
342089770	ZINC000588345066	ref	3.2	-45.81	1	296.415	1.072	4	3	7	CC(C)(CCC#N)CNC(=O)NC1CC[NH+](CCO)CC1
342089771	ZINC000588345066	high	0.91	-16.32	0	296.415	1.072	3	4	7	CC(C)(CCC#N)CNC(=O)NC1CCN(CCO)CC1
365650655	ZINC000173009063	ref	8.16	-11.97	0	297.301	1.919	0	3	3	COC(=O)[C@H]1CCCN(C(=O)Cc2cc(F)ccc2F)C1
342089772	ZINC000046868791	ref	0.63	-18.7	0	291.307	1.012	3	4	6	CCOc1ccc(NC(=O)CC[C@H]2NC(=O)NC2=O)cc1
342089773	ZINC000046868791	high	-1.19	-49.18	-1	291.307	1.012	2	4	6	CCOc1ccc(NC(=O)CC[C@H]2NC(=O)[N-]C2=O)cc1
342089774	ZINC000600317567	ref	5.59	-13.3	0	278.377	1.95	0	4	3	CSCc1cccnc1C(=O)N1CC2(CCCO2)C1
342089775	ZINC000600317347	ref	6.43	-13.49	0	289.331	1.868	0	4	3	CCOC(=O)c1ccc(C(=O)N2CC3(CCCO3)C2)cc1
365650663	ZINC000173011760	ref	6.15	-19.29	0	276.365	1.711	0	5	5	CN(C(=O)CSCc1ccncc1)c1cnn(C)c1
365650673	ZINC000173012008	ref	7.98	-19.47	0	297.362	1.988	2	4	5	Cc1cccc2c(CCNC(=O)[C@H](C)n3cncn3)c[nH]c12
342089776	ZINC000227281062	ref	2.76	-55.78	1	284.359	1.61	3	2	6	[NH3+]CCc1ccc(C(=O)NCc2cccc(CO)c2)cc1
342089777	ZINC000046875057	ref	4.68	-10.0	0	276.336	1.42	1	3	2	C[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3O2)CCO1
342089778	ZINC000600317550	ref	5.12	-15.72	0	292.335	1.505	1	4	3	CCOC(=O)c1cc(C(=O)N2CC3(CCCO3)C2)[nH]c1C
342089779	ZINC000600317547	ref	7.85	-16.68	0	295.379	1.746	0	4	3	CC(C)(C)OC(=O)[C@H](C(=O)N1CC2(CCCO2)C1)C1CC1
342089780	ZINC000310903883	ref	3.9	-42.25	1	254.374	1.309	2	2	6	COCC1(CNC(=O)CC2CC[NH2+]CC2)CCC1
342089781	ZINC000618612774	ref	5.21	-10.75	0	296.317	1.966	2	2	5	C[C@@H](NC(=O)c1ccccc1)C(=O)NC[C@]1(C)CC1(F)F
342089782	ZINC000600317355	ref	6.04	-12.3	0	281.352	1.357	0	4	2	COC(=O)[C@@H]1CC[C@@H](C(=O)N2CC3(CCCO3)C2)CC1
342089783	ZINC000621365980	ref	3.13	-6.66	0	251.374	1.914	1	4	4	CC(C)n1ccnc1CN1CC[C@H](C)[C@H](CO)C1
342089784	ZINC000621365980	mid	5.7	-33.42	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@@H+]1CC[C@H](C)[C@H](CO)C1
342089785	ZINC000621365980	mid	5.46	-35.38	1	251.374	1.914	2	3	4	CC(C)n1ccnc1C[N@H+]1CC[C@H](C)[C@H](CO)C1
342089786	ZINC000621365817	ref	5.0	-38.31	1	276.38	1.884	3	2	4	Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1
342089787	ZINC000621365817	mid	5.25	-38.68	1	276.38	1.884	3	2	4	Cc1ccc(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)cc1
365650657	ZINC000623090076	ref	1.43	-15.96	0	308.382	1.421	1	5	4	Cc1nnc(CNC(=O)[C@@H]2CCCN2C(=O)CC(C)(C)C)o1
365650664	ZINC000623090754	ref	-0.71	-15.77	0	300.361	1.227	2	5	4	Cc1occc1CNC(=O)c1csc(S(N)(=O)=O)c1
342089788	ZINC000621365817	mid	2.81	-10.24	0	276.38	1.884	2	3	4	Cc1ccc(NC(=O)CN2CC[C@@H](C)[C@@H](CO)C2)cc1
398249912	ZINC000651465715	low	7.81	-33.31	1	284.407	3.34	2	2	3	Cc1[nH]ncc1[C@@H](C)[NH2+][C@H]1CCCN(C)c2ccccc21
342089789	ZINC000600317354	ref	5.27	-11.88	0	290.319	1.263	0	5	3	CCOC(=O)c1ccc(C(=O)N2CC3(CCCO3)C2)nc1
342089790	ZINC000588344171	ref	3.43	-16.53	0	297.399	1.669	2	4	9	CC(C)(CCC#N)CNC(=O)NCCOC[C@@H]1CCOC1
342089791	ZINC000621365816	ref	5.21	-39.11	1	276.38	1.884	3	2	4	Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@@H](CO)C2)cc1
365650670	ZINC000623090351	ref	6.25	-83.78	2	319.493	1.895	3	2	8	C[C@@H]1C[C@H](N(C)CC[NH+](C)CCO)CC[N@@H+]1Cc1ccccc1
365650675	ZINC000623090351	mid	6.81	-82.21	2	319.493	1.895	3	2	8	C[C@@H]1C[C@H](N(C)CC[NH+](C)CCO)CC[N@H+]1Cc1ccccc1
365650680	ZINC000623090351	mid	6.87	-81.43	2	319.493	1.895	3	2	8	C[C@@H]1C[C@H](N(C)CC[N@H+](C)CCO)CC[NH+]1Cc1ccccc1
282123771	ZINC000533475181	ref	4.64	-19.38	0	296.411	1.397	1	3	4	CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@@H]([C@H](C)O)C1
214201273	ZINC000053838502	ref	5.7	-24.94	0	342.403	0.745	1	6	6	Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NCCC(=O)N(C)C
210256304	ZINC000000644955	ref	10.93	-13.76	0	350.805	4.925	0	3	3	O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@H]1c1ccco1
214201277	ZINC000053835774	ref	10.57	-14.36	0	341.407	3.59	0	4	4	C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1
282123780	ZINC000533474806	ref	3.44	-8.14	0	296.411	1.301	2	3	4	C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]([C@@H](C)O)C1
342089792	ZINC000621365816	mid	4.78	-36.27	1	276.38	1.884	3	2	4	Cc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)cc1
190495138	ZINC000269444471	ref	4.26	-9.0	0	250.342	2.36	1	3	6	CO[C@@H](C)CCNC(=O)c1ccc(C(C)C)nc1
282123785	ZINC000533474943	ref	4.28	-10.32	0	277.368	1.381	1	4	3	C[C@H](O)[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1
259310647	ZINC000087357054	ref	5.71	-39.81	1	242.363	1.402	2	2	6	CC(C)[N@H+](C)CCNC(=O)C[C@@H]1CCCCO1
349536103	ZINC000594970123	mid	6.54	-8.98	0	266.348	2.682	1	4	4	Cc1nccc(CNC(C)(C)c2cccc(C#N)c2)n1
398249913	ZINC000649443557	ref	4.22	-45.58	1	247.338	1.997	2	2	5	COc1cc(C2=CC[NH2+]CC2)ccc1CCCO
349536106	ZINC000621245380	ref	6.15	-36.44	1	296.842	2.273	2	2	7	OCCN1CC[NH+](CCCCc2cccc(Cl)c2)CC1
214201290	ZINC000053836046	ref	9.45	-28.32	0	330.304	0.952	1	7	5	O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cccc(N2CCCC2=O)c1
214201294	ZINC000053844991	ref	5.26	-8.09	0	327.35	1.756	0	3	3	O=C(CN1CCN(CC(F)(F)F)CC1)N1CCc2ccccc21
214201297	ZINC000053835156	ref	14.04	-18.11	0	341.335	1.308	2	10	6	CCc1ccccc1Nc1nc(N)nc(Cn2cnc([N+](=O)[O-])n2)n1
214201300	ZINC000053825357	ref	10.98	-18.12	0	327.428	2.742	0	4	3	Cc1ccc2ncn(CC(=O)N(C)[C@H]3CCCC[C@@H]3C)c(=O)c2c1
214201302	ZINC000053841485	ref	9.47	-16.41	0	333.461	2.478	1	6	8	C=CCNC(=O)CSc1nc2nc(C)c(CCCC)c(C)n2n1
398249916	ZINC000381271671	ref	6.36	-38.22	1	243.416	2.365	2	2	2	CC1(C)C[N@H+](C[C@@H]2CCC[C@H](O)C2)CCS1
342602906	ZINC000617005836	high	1.69	-14.74	0	294.399	1.169	1	5	5	COCc1nn(C)cc1C(=O)NC[C@@H]1CCN1C(C)(C)C
342602907	ZINC000617005856	ref	8.01	-38.97	1	288.395	1.957	2	3	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1C1CC1
230239649	ZINC000343172146	ref	-4.82	-19.27	0	268.335	-1.561	3	5	9	COCCCS(=O)(=O)NCC(=O)N[C@H](C)CO
342602908	ZINC000617005856	mid	6.49	-40.49	1	288.395	1.957	2	3	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cncnc1C1CC1
365650662	ZINC000336563303	low	9.41	-44.19	1	281.359	2.456	1	1	2	O=C([C@@H]1Cc2ccccc21)N1CCC(c2c[nH+]c[nH]2)CC1
342602909	ZINC000617005856	high	4.2	-8.26	0	288.395	1.957	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)c1cncnc1C1CC1
342602910	ZINC000590878491	ref	5.27	-10.6	0	292.335	1.552	1	5	5	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cc(OC)ccn1
282123773	ZINC000171341710	ref	5.1	-14.25	0	296.334	0.906	1	6	2	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(C#N)c(C)n1)CC2
342602911	ZINC000617005862	ref	5.79	-33.16	1	291.399	1.606	2	4	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1
342602912	ZINC000617005862	mid	4.28	-35.79	1	291.399	1.606	2	4	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1
197610383	ZINC000290143691	ref	5.66	-31.12	1	253.411	3.258	2	2	5	Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)s1
197610384	ZINC000290143176	ref	4.14	-12.72	0	283.225	1.067	1	4	7	Cn1cncc1C(=O)NCCOCC(F)(F)C(F)F
342602913	ZINC000617005862	high	2.73	-8.51	0	291.399	1.606	1	5	4	CC(C)(C)N1CC[C@H]1CNC(=O)c1cn(C2CCC2)nn1
178325421	ZINC000066101384	ref	8.61	-7.94	0	237.302	3.576	0	2	1	Cc1ccc(-c2ccc3c(n2)CCCC3=O)cc1
178325427	ZINC000011567890	ref	5.28	-30.43	1	214.272	2.046	2	3	2	Cc1ccc(-c2ccc(NN)[nH+]n2)cc1C
178325431	ZINC000011567890	mid	5.07	-11.31	0	214.272	2.046	2	4	2	Cc1ccc(-c2ccc(NN)nn2)cc1C
178325436	ZINC000011567890	high	5.14	-7.25	0	214.272	2.046	2	3	1	Cc1ccc(-c2ccc(=NN)[nH]n2)cc1C
178325440	ZINC000011569695	ref	8.68	-9.12	0	240.302	3.63	0	2	5	Cc1ccc(-c2ccc(OCCC=O)cc2)cc1
342089793	ZINC000621365816	mid	3.04	-10.24	0	276.38	1.884	2	3	4	Cc1ccc(NC(=O)CN2CC[C@H](C)[C@@H](CO)C2)cc1
342089794	ZINC000588345087	ref	5.05	-19.59	0	265.357	1.443	1	3	6	CC(C)[C@@H]1C(=O)NCCN1C(=O)CCCCCC#N
365650666	ZINC000336563303	low	9.4	-44.29	1	281.359	2.456	1	1	2	O=C([C@@H]1Cc2ccccc21)N1CCC(c2c[nH]c[nH+]2)CC1
398249914	ZINC000651465715	high	6.54	-6.34	0	284.407	3.34	2	3	3	Cc1n[nH]cc1[C@@H](C)N[C@H]1CCCN(C)c2ccccc21
178325453	ZINC000065340263	ref	7.14	-4.54	0	212.292	3.984	1	1	1	Cc1ccc(-c2ccc(O)c(C)c2)c(C)c1
342602914	ZINC000617005981	ref	5.52	-40.2	1	264.373	1.331	2	3	3	Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
365650672	ZINC000336563697	ref	6.82	-8.0	0	251.37	2.452	0	2	3	CC[C@H]1CCN(C(=O)C2(C3CC3)CCOCC2)C1
398249915	ZINC000651465684	ref	8.51	-38.88	1	276.424	3.4	2	2	5	CCc1ccc(N[C@H](C)C2CC[NH+](C)CC2)cc1OC
398249918	ZINC000651467896	ref	8.7	-109.9	2	296.842	3.311	2	1	5	COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)ccc1Cl
398249920	ZINC000651467300	ref	4.93	-57.76	1	290.363	3.001	2	3	6	C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc2[nH]c(=O)oc2c1
178325466	ZINC000041279191	ref	9.09	-4.84	0	237.346	4.329	1	1	1	Cc1ccc(-c2ccc3c(c2)CCCN3)cc1C
178325470	ZINC000049827907	ref	6.2	-44.94	1	235.714	3.928	1	1	2	Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)cc1Cl
178325472	ZINC000049827907	high	5.86	-4.53	0	235.714	3.928	1	2	2	Cc1ccc(-c2ccc([C@@H](C)N)o2)cc1Cl
178325473	ZINC000041270816	ref	10.21	-8.98	0	236.314	4.099	0	1	1	Cc1ccc(-c2ccc3c(c2)C(=O)CC3)c(C)c1
398249921	ZINC000651467302	ref	6.83	-47.74	1	262.397	3.166	1	2	6	Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)c(C)n1
178325482	ZINC000041048958	ref	3.96	-4.4	0	204.298	2.888	2	3	1	Cc1ccc(-c2ccc(N)cc2N)s1
178325487	ZINC000000970369	ref	9.96	-7.26	0	233.314	4.519	0	1	1	Cc1ccc(-c2ccc3ccccc3n2)c(C)c1
342089795	ZINC000402912454	ref	5.0	-45.66	1	256.415	1.573	1	2	4	CSC[C@@H](C)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1
342089796	ZINC000621366152	ref	2.89	-46.08	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342089797	ZINC000621366152	mid	2.66	-45.73	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1
365650667	ZINC000576649449	ref	5.15	-11.15	0	236.315	2.356	1	2	4	CCCN(C(=O)c1ccc(=O)[nH]c1C)C(C)C
214201283	ZINC000278510502	ref	3.26	-18.19	0	316.357	1.157	3	4	6	C=C[C@](C)(O)CC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1
365650676	ZINC000576647891	ref	7.98	-29.95	1	205.301	3.217	1	1	3	CC1(C[N@@H+]2CCC[C@@H]2c2ccco2)CC1
214201286	ZINC000278510382	ref	5.7	-15.04	0	312.377	1.266	1	6	3	CNc1ccc(C(=O)N2CCCN(c3cccnn3)CC2)cn1
365650683	ZINC000576647891	mid	8.59	-30.03	1	205.301	3.217	1	1	3	CC1(C[N@H+]2CCC[C@@H]2c2ccco2)CC1
290624427	ZINC000493100286	ref	7.4	-24.55	0	325.372	1.254	1	5	3	CNC(=O)c1ccc(/C=C\C(=O)N2CCn3cnnc3[C@@H]2C)cc1
219048724	ZINC000097694694	ref	7.27	-13.27	0	328.368	2.899	0	5	7	CCN(CCC(=O)OC)C(=O)c1ccc(Oc2ccccc2)nc1
219048726	ZINC000097694782	ref	8.99	-40.13	1	348.491	1.967	1	4	6	CCn1ccnc1C1CCN(C(=O)[C@H]2CCC[N@H+](CCOC)C2)CC1
290624429	ZINC000493349419	ref	7.52	-14.54	0	318.442	2.413	1	3	3	CNC(=O)c1ccc(/C=C\C(=O)N2CCS[C@@H](C)CC2)cc1
290624433	ZINC000493634112	ref	6.53	-13.96	0	342.439	2.211	2	3	4	CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1
197610407	ZINC000290145131	ref	8.24	-7.9	0	291.366	3.231	1	2	8	O=C(NCc1ccccc1OCC1CC1)C1(CCF)CC1
342089798	ZINC000621366152	mid	0.43	-13.2	0	277.43	1.15	1	4	6	CC(C)S(=O)(=O)CCCN1CC[C@@H](C)[C@@H](CO)C1
342089799	ZINC000052014093	ref	3.13	-40.88	1	293.407	1.936	3	3	6	Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1
342089800	ZINC000046876467	ref	3.47	-13.13	0	264.325	1.014	2	3	5	CCN(CCO)C(=O)NC[C@H]1Cc2ccccc2O1
342089801	ZINC000131944407	ref	3.71	-14.63	0	272.264	1.551	0	7	3	Cc1nnc(Cn2c(-c3ccccc3C)noc2=O)o1
342089802	ZINC000048431433	ref	5.81	-17.73	0	267.285	1.421	1	4	5	CCN(C[C@@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])c[nH]1
342089803	ZINC000131944292	ref	2.56	-11.06	0	270.354	1.27	0	4	3	CC[C@H]1CN(S(=O)(=O)c2ccccn2)C[C@H](C)O1
342089804	ZINC000618612716	ref	6.08	-19.3	0	293.277	1.437	1	5	4	C[C@@]1(CNC(=O)c2ccccc2-n2cnnn2)CC1(F)F
342089805	ZINC000310947308	ref	4.27	-40.63	1	254.374	1.165	2	2	5	COCC(C)(C)CNC(=O)[C@@H]1CC12CC[NH2+]CC2
342089806	ZINC000600317715	ref	2.68	-19.98	0	293.392	1.085	2	4	7	NC(=O)[C@@H]1C[C@@H](NC(=O)CCSCc2ccccn2)C1
349538779	ZINC000594985413	high	4.51	-6.53	0	267.394	2.776	2	4	7	CCSC1(CNCc2ccc(OC)c(O)c2)CC1
398249917	ZINC000381271671	mid	6.36	-38.25	1	243.416	2.365	2	2	2	CC1(C)C[N@@H+](C[C@@H]2CCC[C@H](O)C2)CCS1
197610399	ZINC000163076631	ref	8.35	-7.57	0	313.854	3.375	1	3	3	CN(C)c1ccc(NC(=O)N(C)[C@@H]2CCSC2)cc1Cl
342089807	ZINC000046872424	ref	4.26	-12.97	0	281.356	1.194	1	4	8	COCCN(CCOC)C(=O)NCc1ccc(C)nc1
306234762	ZINC000557926091	mid	4.74	-47.24	1	335.452	1.139	3	4	5	Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]1CCC[N@@H+](C)C1
282123776	ZINC000248981746	ref	5.14	-37.81	1	306.406	1.356	2	3	6	COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1
342089808	ZINC000052014175	ref	2.26	-42.35	1	299.798	1.973	3	3	6	O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(Cl)cc1
342089809	ZINC000052014178	ref	2.31	-42.39	1	299.798	1.973	3	3	6	O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COc1ccc(Cl)cc1
342089810	ZINC000048431444	ref	5.78	-8.21	0	293.323	1.797	0	5	5	CCN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])cnc1C
342089811	ZINC000621366154	ref	2.4	-45.15	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](C)[C@@H](CO)C1
342089812	ZINC000621366154	mid	2.87	-46.28	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](C)[C@@H](CO)C1
342089813	ZINC000621366154	mid	0.65	-13.19	0	277.43	1.15	1	4	6	CC(C)S(=O)(=O)CCCN1CC[C@H](C)[C@@H](CO)C1
342089814	ZINC000609075246	ref	6.77	-44.93	1	298.266	1.122	2	8	4	Nc1nc(Nc2cnn(-c3cc[nH+]cc3)c2)ncc1[N+](=O)[O-]
342089815	ZINC000609075246	mid	5.83	-32.58	-1	298.266	1.122	1	8	4	Nc1nc([N-]c2cnn(-c3ccncc3)c2)ncc1[N+](=O)[O-]
342089816	ZINC000048433144	ref	5.46	-8.8	0	268.269	1.686	0	5	5	CCN(C[C@@H]1CCOC1)C(=O)c1ccc([N+](=O)[O-])o1
342089817	ZINC000046875523	ref	3.65	-11.63	0	290.363	1.404	2	3	3	O=C(NC[C@H]1Cc2ccccc2O1)N1CCC(CO)CC1
342089818	ZINC000046875525	ref	3.63	-11.63	0	290.363	1.404	2	3	3	O=C(NC[C@@H]1Cc2ccccc2O1)N1CCC(CO)CC1
342089819	ZINC000588345862	ref	4.86	-12.83	0	265.276	1.873	1	5	3	N#Cc1ccnc(C(=O)Nc2cnc(C3CC3)nc2)c1
342089820	ZINC000621366302	ref	5.64	-44.88	1	291.395	1.969	1	3	5	CCOc1cncc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1
342089821	ZINC000621366302	mid	4.39	-11.47	0	291.395	1.969	1	4	5	CCOc1cncc(CN[C@H]2CCN(C(C)(C)C)C2=O)c1
342089822	ZINC000618612715	ref	6.07	-20.8	0	293.277	1.437	1	5	4	C[C@]1(CNC(=O)c2ccccc2-n2cnnn2)CC1(F)F
342089823	ZINC000609078035	ref	5.65	-23.0	0	269.308	1.468	0	5	4	CCN(CC#N)C(=O)c1cn(C)nc1-c1cccnc1
342602915	ZINC000617005981	mid	4.68	-42.05	1	264.373	1.331	2	3	3	Cc1cnn(C)c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342602916	ZINC000617005981	high	2.72	-7.45	0	264.373	1.331	1	4	3	Cc1cnn(C)c1C(=O)NC[C@H]1CCN1C(C)(C)C
342602917	ZINC000617006091	ref	4.83	-43.56	1	265.357	1.84	2	3	4	CCc1nocc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602918	ZINC000617006091	mid	6.08	-43.05	1	265.357	1.84	2	3	4	CCc1nocc1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
197610422	ZINC000290143879	ref	9.36	-11.48	0	275.381	1.354	0	6	3	Cn1c(Cc2ccccn2)nnc1N1CCSCC1
197610425	ZINC000290143761	ref	5.68	-11.6	0	281.4	2.336	1	4	7	CCOCC(C)(C)CNC(=O)c1cn(C)nc1C(C)C
342602919	ZINC000617006091	mid	3.07	-9.74	0	265.357	1.84	1	4	4	CCc1nocc1C(=O)NC[C@@H]1CCN1C(C)(C)C
342602920	ZINC000617005855	ref	6.45	-40.12	1	288.395	1.957	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1C1CC1
342602921	ZINC000617005855	mid	7.94	-39.63	1	288.395	1.957	2	3	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cncnc1C1CC1
342602922	ZINC000617005855	high	4.2	-8.45	0	288.395	1.957	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cncnc1C1CC1
342602923	ZINC000617006183	ref	7.13	-44.37	1	278.396	1.591	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
342602924	ZINC000617006183	mid	8.64	-44.96	1	278.396	1.591	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
214201287	ZINC000337658963	ref	4.85	-9.39	0	268.401	2.369	2	2	4	C[C@H]1CCC[C@@H]1NC(=O)N1CCC(CCCO)CC1
214201293	ZINC000337659152	ref	7.2	-9.47	0	260.328	3.006	1	1	4	CCN(C(=O)NC[C@@H]1CCCC(F)(F)C1)C1CC1
365650677	ZINC000336563469	ref	4.55	-12.85	0	298.333	2.062	2	2	3	CC1(C)[C@H](O)CCN1C(=O)NCCc1cc(F)cc(F)c1
214201296	ZINC000337658511	ref	-0.86	-17.54	0	299.352	0.968	3	4	4	CS(=O)(=O)Nc1ccc(NC(=O)N[C@@H]2CCOC2)cc1
214201299	ZINC000337658138	ref	1.2	-14.52	0	292.213	0.364	2	5	4	COC(=O)[C@@H](O)CNC(=O)c1ccncc1C(F)(F)F
168365655	ZINC000368505825	low	7.2	-47.79	1	332.4	3.184	2	2	4	C[N@@H+]1Cc2cccc(NS(=O)(=O)/C=C/c3ccc(F)cc3)c2C1
168365656	ZINC000368505825	low	7.2	-47.77	1	332.4	3.184	2	2	4	C[N@H+]1Cc2cccc(NS(=O)(=O)/C=C/c3ccc(F)cc3)c2C1
342602925	ZINC000617006183	mid	5.75	-15.96	0	278.396	1.591	1	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2
168367886	ZINC000083269435	ref	1.56	-50.65	1	161.208	1.583	2	1	1	C[C@@H]([NH3+])c1c[nH]c2ccncc12
214201301	ZINC000337658408	ref	3.83	-5.7	0	261.325	3.037	0	5	5	COc1cc(-c2nc(CCC(C)C)no2)cc(C)n1
365650678	ZINC000625119096	ref	5.18	-14.49	0	319.336	2.064	1	4	6	CC(C)CN(CC(N)=O)C(=O)c1cc(-c2cccc(F)c2)no1
398249919	ZINC000381274644	ref	5.64	-35.48	1	231.38	2.452	1	2	8	CC[C@@H](C)[C@@H](C[NH2+]CCOC(C)(C)C)OC
342089824	ZINC000048433651	ref	6.41	-10.93	0	279.292	1.673	1	5	5	COC(=O)CCC(=O)Nc1cccc(C)c1C(=O)OC
342089825	ZINC000052014091	ref	3.07	-40.86	1	293.407	1.936	3	3	6	Cc1cc(C)cc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1
282123777	ZINC000449156704	high	0.52	-11.84	0	266.366	2.03	2	5	6	CS[C@@H](CO)[C@H](C)NCc1cc2cccnc2o1
342089826	ZINC000048434838	ref	6.7	-11.49	0	267.3	1.828	1	3	7	COC(=O)CCCNC(=O)CCc1ccccc1F
342089827	ZINC000600317711	ref	3.52	-25.13	0	297.698	1.242	2	4	4	NC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1
342089828	ZINC000609072942	ref	3.69	-17.69	0	260.403	1.549	2	3	6	CC(C)SCC(=O)NCCC(=O)NC(C)(C)C
342089829	ZINC000121832794	ref	2.92	-11.2	0	267.304	1.592	3	2	6	Cc1cccc(NC(=O)NCC(=O)NCCCF)c1
398249922	ZINC000381276490	ref	4.26	-43.35	1	221.348	1.82	2	2	6	Cc1cc(CN[C@H](C)CC[NH+](C)C)ccn1
192340762	ZINC000421453230	ref	5.01	-10.86	0	237.347	2.218	1	3	5	CCCC(C)(C)NC(=O)[C@H](C)c1ccnn1C
342089830	ZINC000046877953	ref	7.85	-39.73	1	286.379	1.796	2	3	4	C[C@H]1CCC[N@H+](CCNC(=O)c2cn3ccccc3n2)C1
342089831	ZINC000046877953	mid	7.84	-40.26	1	286.379	1.796	2	3	4	C[C@H]1CCC[N@@H+](CCNC(=O)c2cn3ccccc3n2)C1
342089832	ZINC000046877953	high	5.61	-10.48	0	286.379	1.796	1	4	4	C[C@H]1CCCN(CCNC(=O)c2cn3ccccc3n2)C1
342089833	ZINC000139268709	ref	2.93	-11.82	0	254.245	1.569	0	5	1	COc1ccc2c(n1)C(=O)c1nccc(C)c1C2=O
342089834	ZINC000609075249	ref	4.89	-8.09	0	287.279	1.065	1	7	4	Nc1nc(N2CC(Oc3ccccc3)C2)ncc1[N+](=O)[O-]
342602926	ZINC000617006099	ref	4.79	-37.92	1	286.416	1.419	2	3	9	COCCCOCCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
222609572	ZINC000283778636	ref	5.97	-6.03	0	302.374	1.669	1	3	5	C=CCC[C@H](NC(=O)C(=O)N1CCOCC1)c1ccccc1
199273361	ZINC000294962753	ref	4.93	-14.66	0	279.384	2.121	1	4	4	COCc1nn(C)cc1C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C
342089835	ZINC000048430397	ref	7.63	-19.97	0	288.347	1.822	0	4	6	CCN(C[C@H]1CCOC1)C(=O)COc1ccccc1C#N
342089836	ZINC000052014066	ref	3.2	-40.6	1	293.407	1.882	3	3	7	CCc1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1
342089837	ZINC000046872442	ref	5.71	-15.63	0	286.339	1.623	3	4	3	Cc1ccc(CNC(=O)NN=c2nc(C)cc(C)[nH]2)cn1
210256225	ZINC000265953626	low	3.37	-39.31	1	354.476	0.83	3	5	7	CS[C@H](CO)[C@@H](C)NC(=O)NCc1ccc[nH+]c1N1CCOCC1
210256228	ZINC000265954408	ref	2.9	-54.96	1	364.446	0.78	5	4	7	CCNC(=O)COc1cccc(NC(=O)NCC2(O)CC[NH+](C)CC2)c1
342602927	ZINC000617006099	mid	3.67	-38.26	1	286.416	1.419	2	3	9	COCCCOCCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
398249923	ZINC000651467071	ref	8.16	-10.59	0	289.375	3.006	0	3	3	O=C([C@@H]1C[C@H]1C1CCCC1)N1CCO[C@H](c2ccco2)C1
342602928	ZINC000617006099	high	1.78	-7.91	0	286.416	1.419	1	4	9	COCCCOCCC(=O)NC[C@H]1CCN1C(C)(C)C
282123779	ZINC000117023797	ref	7.57	-44.67	1	317.433	2.036	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3ccccc32)CCO1
230763102	ZINC000414483766	ref	9.54	-38.67	1	302.418	3.002	2	3	4	COC(=O)[C@H](C)c1cccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1
210256234	ZINC000265954408	high	0.53	-23.31	0	364.446	0.78	4	5	7	CCNC(=O)COc1cccc(NC(=O)NCC2(O)CCN(C)CC2)c1
342602929	ZINC000617005913	ref	5.39	-44.41	1	295.427	1.446	3	2	6	C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602930	ZINC000617005913	mid	6.55	-43.61	1	295.427	1.446	3	2	6	C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214201288	ZINC000278511803	ref	7.47	-11.49	0	312.348	2.844	0	5	3	Cc1ccnc(N2CCC(Oc3ncccc3F)CC2)c1C#N
342602931	ZINC000617005913	high	3.51	-15.39	0	295.427	1.446	2	3	6	C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN1C(C)(C)C
210256239	ZINC000265954483	ref	1.5	-31.28	0	362.346	0.388	3	8	8	COCCNC(=O)Cn1cc(NC(=O)c2ccc(N)c([N+](=O)[O-])c2)cn1
230763104	ZINC000414483766	mid	9.25	-39.51	1	302.418	3.002	2	3	4	COC(=O)[C@H](C)c1cccc(N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1
210256244	ZINC000265953753	ref	1.48	-12.91	0	355.391	0.729	3	4	5	C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
365650682	ZINC000173001262	ref	2.74	-14.54	0	284.381	1.418	2	3	3	Cc1ccc(S(N)(=O)=O)c(C(=O)NCC(C)(C)C)c1
214201291	ZINC000278511147	ref	7.08	-53.47	1	324.465	2.542	1	3	6	Fc1cccc([C@@H](C[NH2+]C[C@H]2CCSC2)N2CCOCC2)c1
342602932	ZINC000617006056	ref	5.96	-37.83	1	298.818	1.985	2	3	3	Cc1c(Cl)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)nn1C
342602933	ZINC000617006056	mid	4.83	-38.0	1	298.818	1.985	2	3	3	Cc1c(Cl)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)nn1C
197610448	ZINC000163087354	ref	6.87	-10.6	0	309.207	2.479	1	2	3	C[C@H](C(=O)NC1CC1)N1CCc2ccc(Br)cc21
342602934	ZINC000617006056	mid	2.94	-11.46	0	298.818	1.985	1	4	3	Cc1c(Cl)c(C(=O)NC[C@H]2CCN2C(C)(C)C)nn1C
282123781	ZINC000352655392	ref	4.11	-20.38	0	291.271	-0.037	2	7	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc([N+](=O)[O-])n[nH]1)CC2
230763107	ZINC000425896787	ref	7.23	-109.17	2	319.449	2.436	2	3	6	C[C@]1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCO[C@@H]1C1CC1
178325435	ZINC000237698393	ref	2.39	-71.63	1	371.459	1.958	2	5	6	Cc1sc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)nc1-c1ccc(F)cc1
178325438	ZINC000237698393	mid	2.06	-21.24	0	371.459	1.958	2	6	6	Cc1sc(NC(=O)[C@H](N)CCS(C)(=O)=O)nc1-c1ccc(F)cc1
230763109	ZINC000425896787	high	6.03	-45.78	1	319.449	2.436	2	4	6	C[C@]1(CNCc2cc(C3CC[NH2+]CC3)no2)CCO[C@@H]1C1CC1
178325442	ZINC000237686376	ref	6.45	-60.77	-1	356.382	1.994	2	6	8	Cc1noc(CCCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])n1
178325448	ZINC000237688759	ref	5.15	-54.84	1	365.499	1.399	1	3	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC[NH2+]CC3)cc2)C1
178325451	ZINC000237688759	mid	3.89	-11.04	0	365.499	1.399	1	4	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCNCC3)cc2)C1
178325455	ZINC000237690048	ref	5.67	-64.0	1	366.527	1.928	1	3	7	Cc1ccc(CCC2CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)CC2)cc1
178325458	ZINC000237690048	mid	5.32	-20.96	0	366.527	1.928	1	4	7	Cc1ccc(CCC2CCN(C(=O)[C@H](N)CCS(C)(=O)=O)CC2)cc1
168365657	ZINC000368503696	ref	7.22	-8.39	0	338.492	3.184	1	3	3	CC(C)(CNC(=O)N1CCOC2(CCOCC2)CC1)C1CCCC1
168365658	ZINC000368503740	ref	8.25	-44.48	1	347.503	3.251	3	2	7	CC(C)[C@H](C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1
178325461	ZINC000237696576	ref	6.22	-52.29	1	351.397	1.824	2	2	5	O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
178325464	ZINC000237690140	ref	3.02	-15.87	0	360.458	1.344	3	4	4	Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3COCCN3)C2)cc1
178325468	ZINC000237690140	mid	4.23	-47.08	1	360.458	1.344	3	3	4	Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)cc1
178325471	ZINC000237691183	ref	8.82	-55.51	-1	367.405	1.698	2	5	7	Cc1cccc(C[C@H](CNC(=O)Cn2c(=O)[nH]c3ccccc32)C(=O)[O-])c1
178325476	ZINC000237703985	ref	6.55	-46.6	1	365.359	1.738	3	4	5	O=C(NCCNc1nccc(C(F)(F)F)n1)[C@@H]1Cc2ccccc2C[NH2+]1
178325480	ZINC000237703985	mid	5.16	-12.87	0	365.359	1.738	3	5	5	O=C(NCCNc1nccc(C(F)(F)F)n1)[C@@H]1Cc2ccccc2CN1
342089838	ZINC000046872442	high	5.27	-40.25	-1	286.339	1.623	2	4	3	Cc1ccc(CNC(=O)NN=c2nc(C)cc(C)[n-]2)cn1
342602935	ZINC000617006186	ref	7.16	-42.95	1	278.396	1.591	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
365650684	ZINC000623090351	mid	6.86	-82.17	2	319.493	1.895	3	2	8	C[C@@H]1C[C@H](N(C)CC[N@@H+](C)CCO)CC[NH+]1Cc1ccccc1
342602936	ZINC000617006186	mid	5.71	-41.42	1	278.396	1.591	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
197610443	ZINC000290143357	ref	11.25	-11.04	0	297.406	2.57	0	5	3	Cn1c(Cc2ccccn2)nnc1N1CCC[C@@H]2CCC[C@@H]21
342602937	ZINC000617006186	mid	4.03	-10.18	0	278.396	1.591	1	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2
342602938	ZINC000617005814	ref	6.67	-41.61	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1ccnc1
342602939	ZINC000617005814	mid	7.92	-41.21	1	278.4	1.823	2	3	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1ccnc1
365650688	ZINC000623090351	high	4.61	-36.79	1	319.493	1.895	2	3	8	C[C@@H]1C[C@H]([N@H+](C)CCN(C)CCO)CCN1Cc1ccccc1
342602940	ZINC000617005814	low	7.35	-79.07	2	278.4	1.823	2	2	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1cc[nH+]c1
342602941	ZINC000617005814	low	8.59	-80.08	2	278.4	1.823	2	2	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1cc[nH+]c1
342602942	ZINC000617005814	high	4.89	-9.04	0	278.4	1.823	1	4	5	C[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)n1ccnc1
342602943	ZINC000617006115	ref	2.1	-7.36	0	295.408	1.948	1	5	4	CC(=O)c1ncc(C(=O)NC[C@@H]2CCN2C(C)(C)C)s1
197610463	ZINC000290144102	ref	4.03	-11.33	0	299.374	2.068	3	3	4	C[C@H](NC(=O)[C@@H]1CCCc2n[nH]cc21)[C@H](O)c1ccccc1
214201292	ZINC000293787017	high	-1.55	-58.38	-1	364.42	0.039	1	5	4	C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCS(=O)(=O)[C@H]2C)ccc1F
214202814	ZINC000053847949	low	5.12	-38.12	0	343.408	1.895	2	5	6	COc1ccc(CCNC(=O)Cc2nc(=O)c3sccc3[nH]2)cc1
197610465	ZINC000290144102	mid	4.01	-10.34	0	299.374	2.068	3	3	4	C[C@H](NC(=O)[C@@H]1CCCc2[nH]ncc21)[C@H](O)c1ccccc1
342602944	ZINC000617006115	low	3.87	-39.11	1	295.408	1.948	2	4	4	CC(=O)c1ncc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)s1
214202817	ZINC000053868109	ref	7.83	-16.08	0	337.335	2.884	2	4	5	Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccccc1[N+](=O)[O-]
214202820	ZINC000053850183	ref	9.37	-17.69	0	344.44	2.269	0	6	6	CCn1c(S[C@H](C)C(=O)N(C)CCC#N)nc2ccccc2c1=O
342602945	ZINC000617006115	low	5.12	-38.67	1	295.408	1.948	2	4	4	CC(=O)c1ncc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)s1
342602946	ZINC000617005812	ref	6.67	-41.5	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1ccnc1
214201295	ZINC000278510927	ref	2.44	-11.19	0	306.362	1.404	1	5	4	C[C@@H]1COCC[C@@H]1NC(=O)c1ccnc(O[C@H]2CCOC2)c1
342089839	ZINC000609074636	ref	5.22	-6.39	0	269.648	1.078	2	7	4	Nc1nc(NCc2ccc(Cl)o2)ncc1[N+](=O)[O-]
342089840	ZINC000600317706	ref	4.47	-18.62	0	292.404	1.608	2	3	6	Cc1cccc(CSCC(=O)N[C@@H]2C[C@@H](C(N)=O)C2)c1
214201298	ZINC000278510248	ref	4.59	-10.48	0	302.403	2.246	2	5	6	CC[C@@H](Sc1nccnc1N)C(=O)NCc1ccccc1
342089841	ZINC000609075167	ref	5.44	-10.16	0	286.339	1.355	0	7	4	CO[C@@H]1CCCN(c2ncnc3c2cnn3CCC#N)C1
342089842	ZINC000609075167	low	6.44	-39.47	1	286.339	1.355	0	6	4	CO[C@@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1
342089843	ZINC000048430379	ref	7.6	-16.34	0	288.347	1.822	0	4	6	CCN(C[C@@H]1CCOC1)C(=O)COc1ccc(C#N)cc1
282123782	ZINC000151699748	ref	5.12	-14.43	0	301.342	2.355	2	4	7	C[C@H](CNC(=O)COc1ccccc1O)Oc1ccccc1
282123790	ZINC000151697361	ref	6.9	-39.61	1	309.498	2.345	2	2	5	C[C@H](CNC(=O)C[C@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1
282123797	ZINC000151697361	mid	4.53	-5.31	0	309.498	2.345	1	3	5	C[C@H](CNC(=O)C[C@H]1CCCC(C)(C)C1)N1CCN(C)CC1
342089844	ZINC000588345889	ref	8.02	-12.8	0	281.319	1.627	0	5	2	N#Cc1ccnc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c1
342089845	ZINC000588345889	low	8.73	-44.54	1	281.319	1.627	0	4	2	N#Cc1ccnc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1
342089846	ZINC000609075905	ref	2.12	-14.91	0	285.369	1.467	1	6	5	Cc1noc([C@@H](C)SCC(=O)NC2CCOCC2)n1
342089847	ZINC000052014113	ref	1.81	-43.2	1	283.343	1.458	3	3	6	O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(F)cc1
342089848	ZINC000048431434	ref	5.72	-15.53	0	267.285	1.421	1	4	5	CCN(C[C@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])c[nH]1
342089849	ZINC000048430381	ref	7.64	-14.52	0	288.347	1.822	0	4	6	CCN(C[C@H]1CCOC1)C(=O)COc1ccc(C#N)cc1
349538780	ZINC000602465904	ref	1.91	-13.24	0	233.377	1.112	0	3	5	CC[C@H](C)[C@H](CN1CCS(=O)CC1)OC
342089850	ZINC000311836516	ref	3.39	-57.42	1	262.353	1.692	2	2	6	COCC1(CNC(=O)c2ccc(C[NH3+])cc2)CCC1
342089851	ZINC000609078121	ref	3.32	-20.79	0	288.263	1.535	3	4	4	CNC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])c[nH]2)cc1
342089852	ZINC000609075907	ref	2.12	-14.81	0	285.369	1.467	1	6	5	Cc1noc([C@H](C)SCC(=O)NC2CCOCC2)n1
342089853	ZINC000609075168	ref	6.06	-10.75	0	286.339	1.355	0	7	4	CO[C@H]1CCCN(c2ncnc3c2cnn3CCC#N)C1
342089854	ZINC000609075168	low	6.39	-39.98	1	286.339	1.355	0	6	4	CO[C@H]1CCCN(c2[nH+]cnc3c2cnn3CCC#N)C1
342602947	ZINC000617005812	mid	7.92	-41.5	1	278.4	1.823	2	3	5	C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1ccnc1
349536107	ZINC000594970789	ref	10.41	-50.13	1	298.386	2.63	1	3	4	COC(=O)c1cc(C[NH2+][C@@H]2Cc3ccccc3[C@@H]2C)cn1C
342602948	ZINC000617005812	low	7.35	-79.16	2	278.4	1.823	2	2	5	C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)n1cc[nH+]c1
342602949	ZINC000617005812	low	8.59	-79.75	2	278.4	1.823	2	2	5	C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)n1cc[nH+]c1
342602950	ZINC000617005812	high	4.89	-8.79	0	278.4	1.823	1	4	5	C[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)n1ccnc1
342602951	ZINC000617005918	ref	5.37	-42.22	1	278.4	1.434	2	3	5	CCn1ccc(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1
342602952	ZINC000617005918	mid	6.61	-42.33	1	278.4	1.434	2	3	5	CCn1ccc(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1
342602953	ZINC000617005918	high	3.58	-13.85	0	278.4	1.434	1	4	5	CCn1ccc(CC(=O)NC[C@@H]2CCN2C(C)(C)C)n1
342602954	ZINC000590881407	ref	4.91	-14.38	0	295.326	1.44	1	4	8	COC(=O)CC(C)(C)CC(=O)N(CC(F)F)C[C@@H](C)O
197610464	ZINC000163090675	ref	5.9	-12.11	0	317.414	2.986	0	5	3	Cc1noc2nc(C3CC3)cc(C(=O)N(C)[C@@H]3CCSC3)c12
342602955	ZINC000590881408	ref	4.42	-15.59	0	295.326	1.44	1	4	8	COC(=O)CC(C)(C)CC(=O)N(CC(F)F)C[C@H](C)O
342602956	ZINC000617006182	ref	7.25	-44.48	1	276.384	1.432	2	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCC2
342602957	ZINC000617006182	mid	5.64	-46.08	1	276.384	1.432	2	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCC2
398249924	ZINC000381276490	mid	6.73	-111.31	2	221.348	1.82	2	1	6	Cc1cc(C[NH2+][C@H](C)CC[NH+](C)C)ccn1
398249926	ZINC000381276490	mid	4.26	-43.35	1	221.348	1.82	1	2	6	Cc1cc(C[NH2+][C@H](C)CCN(C)C)ccn1
197610472	ZINC000163081753	ref	4.2	-15.19	0	307.396	2.308	0	4	2	CS(=O)(=O)c1cc(C(=O)N2Cc3ccccc3C2)cs1
168365659	ZINC000354485944	ref	4.97	-8.13	0	235.393	2.34	0	2	7	CCC(CC)CS(=O)(=O)N(C)CC(C)C
178325483	ZINC000237693569	ref	7.81	-52.1	1	351.45	1.908	1	2	4	Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)CC2)cc1
398249928	ZINC000381274252	ref	3.28	-36.81	1	229.364	1.796	2	2	6	CC[C@H](C)[C@H](C[NH2+][C@@H]1C[C@H](O)C1(C)C)OC
398249930	ZINC000381274250	ref	3.28	-36.33	1	229.364	1.796	2	2	6	CC[C@H](C)[C@H](C[NH2+][C@H]1C[C@@H](O)C1(C)C)OC
190495140	ZINC000269444892	ref	12.11	-8.93	0	259.357	2.473	0	5	6	CCCN(CC1CC1)c1ncnc2c1ncn2CC
342602958	ZINC000617006182	high	3.37	-14.29	0	276.384	1.432	1	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1cnc2n1CCC2
398249931	ZINC000381268678	ref	-1.47	-44.13	1	218.297	-0.515	3	3	8	CC[C@H](C)[C@H](O)CNC(=O)COCC[NH3+]
178325486	ZINC000237693569	mid	7.48	-13.15	0	351.45	1.908	1	3	4	Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)cc1
282123783	ZINC000248981746	mid	5.49	-36.56	1	306.406	1.356	2	3	6	COc1ccc(CN(C)C(=O)C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1
185091589	ZINC000096081279	ref	0.82	-12.06	0	282.325	-0.654	1	6	3	O=C1C[C@H]2[C@H](CCN2C(=O)c2csnn2)N1CCO
178325489	ZINC000237686183	ref	4.72	-57.93	1	368.275	1.964	2	2	4	Cc1cc(N2C[C@H](C(=O)NCC(C)(C)[NH3+])CC2=O)ccc1Br
178325491	ZINC000237698300	ref	7.55	-49.36	1	362.499	1.662	2	4	4	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)nc1
178325494	ZINC000237698300	high	6.32	-19.95	0	362.499	1.662	2	5	4	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@@H]3CSCCN3)C2)nc1
178325499	ZINC000237696143	ref	6.29	-54.48	1	351.397	1.824	2	2	5	O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
178325502	ZINC000237692042	ref	5.68	-45.11	1	356.875	1.865	2	4	5	O=C(C[C@@H]1CSCC[NH2+]1)NCCc1cc(Cl)c2c(c1)OCCO2
178325507	ZINC000237692042	high	4.45	-13.11	0	356.875	1.865	2	5	5	O=C(C[C@@H]1CSCCN1)NCCc1cc(Cl)c2c(c1)OCCO2
214201303	ZINC000278509667	ref	8.48	-51.78	1	320.408	2.715	2	2	6	CCOc1ccc(C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1F
214201305	ZINC000278509667	mid	6.06	-10.43	0	320.408	2.715	1	3	6	CCOc1ccc(CN2CCC(NC(=O)C3CC3)CC2)cc1F
282123787	ZINC000248981746	high	2.99	-11.93	0	306.406	1.356	1	4	6	COc1ccc(CN(C)C(=O)CN2CC[C@@H](C)[C@@H]2CO)cc1
282123791	ZINC000248987145	ref	4.66	-46.56	1	318.461	1.68	2	3	7	O[C@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1)CN1CCOCC1
178325510	ZINC000237685383	ref	10.7	-66.03	-1	367.409	1.723	1	7	6	Cc1cccc(C[C@@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C(=O)[O-])c1
178325513	ZINC000237686210	ref	5.75	-42.44	-1	355.188	1.311	1	4	4	Cc1cc(N2C[C@H](C(=O)NCC(=O)[O-])CC2=O)ccc1Br
214201308	ZINC000278511476	ref	6.48	-19.66	0	324.384	2.126	2	4	4	Cc1ccc(CNC(=O)N[C@H](C)c2ccc(C#N)cc2)c(=O)n1C
214201311	ZINC000278511080	ref	8.0	-46.3	1	307.459	3.005	1	3	6	Cc1ccc(C[NH2+]C[C@H]2CCSC2)c(O[C@H]2CCOC2)c1
306234763	ZINC000557926091	high	2.79	-11.86	0	335.452	1.139	2	5	5	CN1CCC[C@@H](CNC(=O)NC[C@@H]2CCO[C@H]2c2ccnn2C)C1
306234764	ZINC000557933466	ref	5.32	-14.83	0	334.42	1.197	1	6	6	Cc1cc(CNC(=O)COC2CCOCC2)nc(N2CCCC2)n1
214201314	ZINC000278511109	ref	6.58	-40.62	1	306.475	2.091	2	3	5	O[C@H](CN1CC[NH+](C[C@@H]2CCSC2)CC1)c1ccccc1
398249925	ZINC000651465650	ref	4.44	-5.32	0	254.761	3.008	2	3	5	Cc1ccnc(NCCC2(CO)CCC2)c1Cl
192340765	ZINC000421456034	ref	3.67	-10.35	0	221.247	1.575	1	2	6	CCOCCCNC(=O)[C@@]1(C)CC1(F)F
343995682	ZINC000079956926	ref	5.27	-12.4	0	279.384	2.119	1	4	9	C=CCOCCCC(=O)NCc1c(C)nn(CC)c1C
365650685	ZINC000336563459	ref	7.29	-45.45	1	289.37	2.157	2	1	3	CC(C)[NH+]1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)CC1
365650689	ZINC000336563459	mid	4.91	-9.97	0	289.37	2.157	1	2	3	CC(C)N1CCN(C(=O)NC[C@H]2CCC(F)(F)C2)CC1
214201307	ZINC000337657687	ref	2.09	-14.36	0	267.329	0.084	2	3	3	C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@@H]2CCOC2)CC1=O
214201310	ZINC000337659824	ref	7.07	-15.75	0	285.134	2.015	1	4	4	O=C(NCCn1cncn1)c1cc(Cl)ccc1Cl
214201313	ZINC000337658605	ref	5.11	-6.56	0	264.35	3.208	0	5	3	C[C@@H]1C[C@@H](C)[C@H](c2nc(Cc3cccs3)no2)O1
306234765	ZINC000557930435	ref	1.91	-18.27	0	347.415	1.029	3	4	6	CNC(=O)CC[C@H]1CCCCN1C(=O)CNC(=O)c1ccc(O)cc1
214201317	ZINC000337658768	ref	0.82	-7.31	0	256.346	0.873	3	3	8	COC[C@H](CCO)NC(=O)NCC1(C2CC2)CC1
342089855	ZINC000609075376	ref	1.7	-8.79	0	299.396	1.673	0	7	5	CCOC(=O)[C@H]1CSCCN1Cc1nnc(C(C)C)o1
342089856	ZINC000139280803	ref	2.77	-10.44	0	294.351	1.539	2	4	6	COC[C@@H](C)CNC(=O)NCc1ccc2c(c1)OCCO2
342089857	ZINC000609075332	ref	7.23	-5.37	0	281.316	1.193	1	7	6	COCCN(c1ncc([N+](=O)[O-])c(N)n1)C1CCCC1
342089858	ZINC000618612771	ref	5.21	-10.03	0	296.317	1.966	2	2	5	C[C@H](NC(=O)c1ccccc1)C(=O)NC[C@]1(C)CC1(F)F
342089859	ZINC000609075075	ref	8.68	-7.83	0	289.295	1.868	1	7	5	Cc1ccc(CN(c2ncc([N+](=O)[O-])c(N)n2)C2CC2)o1
342089860	ZINC000600317689	ref	3.97	-18.24	0	283.331	1.235	2	3	4	N#CC1(c2ccc(C(=O)N[C@@H]3C[C@@H](C(N)=O)C3)cc2)CC1
342089861	ZINC000600317417	ref	6.1	-13.3	0	276.292	1.908	0	4	2	Cc1cc(C(=O)N2CC3(CCCO3)C2)ccc1[N+](=O)[O-]
342089862	ZINC000609077822	ref	6.99	-11.07	0	291.351	1.681	1	5	7	CCOC(=O)CN(CC)C(=O)c1ccc(NC2CC2)nc1
342089863	ZINC000609075055	ref	4.74	-56.5	1	280.328	1.248	3	5	6	O=[N+]([O-])c1ncccc1NCCC[NH+]1CCC(O)CC1
342089864	ZINC000609075055	high	2.36	-16.91	0	280.328	1.248	2	6	6	O=[N+]([O-])c1ncccc1NCCCN1CCC(O)CC1
342089865	ZINC000048431443	ref	5.94	-9.51	0	293.323	1.797	0	5	5	CCN(C[C@@H]1CCOC1)C(=O)c1cc([N+](=O)[O-])cnc1C
342089866	ZINC000131944077	ref	2.48	-11.2	0	270.354	1.27	0	4	3	CC[C@@H]1CN(S(=O)(=O)c2ccccn2)C[C@H](C)O1
214201309	ZINC000053845008	ref	4.95	-9.19	0	329.366	2.422	1	3	4	Cc1ccc(NC(=O)CN2CCN(CC(F)(F)F)CC2)c(C)c1
214201312	ZINC000053829764	ref	9.04	-44.03	1	328.25	4.461	1	1	4	C[NH2+][C@@H](Cc1sccc1Br)c1ccc(F)c(C)c1
178325492	ZINC000011567891	ref	5.44	-29.83	1	214.272	2.046	2	3	2	Cc1ccc(-c2ccc(NN)[nH+]n2)c(C)c1
178325495	ZINC000011567891	mid	5.23	-9.8	0	214.272	2.046	2	4	2	Cc1ccc(-c2ccc(NN)nn2)c(C)c1
178325497	ZINC000011567891	high	5.1	-6.32	0	214.272	2.046	2	3	1	Cc1ccc(-c2ccc(=NN)[nH]n2)c(C)c1
342089867	ZINC000600317496	ref	3.14	-15.44	0	258.387	1.144	2	3	6	CCS[C@@H](C(=O)N[C@@H]1C[C@@H](C(N)=O)C1)C(C)C
178325503	ZINC000065340932	ref	6.23	-6.77	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(O)c(F)c2)cc1Cl
178325505	ZINC000065340932	high	7.0	-45.42	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc([O-])c(F)c2)cc1Cl
178325509	ZINC000065341358	ref	6.2	-9.95	0	227.238	3.378	1	2	1	Cc1ccc(-c2ccc(O)c(C#N)c2)cc1F
178325511	ZINC000065341358	mid	6.97	-41.43	-1	227.238	3.378	0	2	1	Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1F
178325515	ZINC000015826207	ref	8.13	-12.4	0	224.267	2.408	0	4	1	Cc1ccc(-c2ccc3nnc(C)n3n2)cc1
342089868	ZINC000609075083	ref	5.73	-5.96	0	286.295	1.229	2	7	2	Nc1nc(N2CCNc3ccccc3C2)ncc1[N+](=O)[O-]
398249927	ZINC000651465650	low	4.81	-32.18	1	254.761	3.008	2	2	5	Cc1cc[nH+]c(NCCC2(CO)CCC2)c1Cl
178325532	ZINC000095494861	ref	8.31	-44.54	-1	229.235	3.276	0	3	2	Cc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)cc1
178325535	ZINC000095494861	low	7.31	-9.57	0	229.235	3.276	1	3	2	Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)cc1
178325538	ZINC000016947911	ref	7.78	-4.63	0	209.292	3.63	1	1	1	Cc1ccc(-c2ccc3c(c2)CCN3)cc1
178325545	ZINC000085476925	ref	6.89	-4.34	0	217.699	3.898	1	1	1	Cc1ccc(-c2ccc(N)cc2)cc1Cl
178325549	ZINC000065340934	ref	6.38	-6.46	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(O)cc2F)cc1Cl
349536108	ZINC000621245380	low	6.18	-33.24	1	296.842	2.273	2	2	7	OCC[NH+]1CCN(CCCCc2cccc(Cl)c2)CC1
178325553	ZINC000065340934	high	7.15	-41.84	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc([O-])cc2F)cc1Cl
398249929	ZINC000651467297	ref	5.02	-57.83	1	290.363	3.001	2	3	6	C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc2[nH]c(=O)oc2c1
178325563	ZINC000049815852	ref	6.45	-43.73	1	215.296	3.583	1	1	2	Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)c(C)c1
178325564	ZINC000049815852	high	6.08	-5.33	0	215.296	3.583	1	2	2	Cc1ccc(-c2ccc([C@@H](C)N)o2)c(C)c1
398254095	ZINC000381611507	low	5.44	-108.91	2	218.291	1.845	2	0	2	[NH3+][C@@H]1CC[N@@H+](C[C@H]2CCCCC2(F)F)C1
197610475	ZINC000163078757	ref	6.01	-13.42	0	308.378	2.471	2	4	8	CCCCCNC(=O)NCc1ccc(C(=O)OC)c(OC)c1
342602959	ZINC000617006212	ref	5.04	-35.91	1	277.372	1.067	2	4	5	C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)nn1
342602960	ZINC000617006212	mid	3.78	-36.57	1	277.372	1.067	2	4	5	C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)nn1
342602961	ZINC000617006212	high	2.02	-9.1	0	277.372	1.067	1	5	5	C=CCn1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)nn1
222609574	ZINC000222501116	ref	9.22	-20.1	0	392.455	3.873	1	4	4	COc1ccc(NC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)cc1
342602962	ZINC000617006181	ref	5.65	-45.69	1	276.384	1.432	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCC2
210256249	ZINC000265953753	high	1.19	-52.27	-1	355.391	0.729	2	4	5	C[C@@H]1C[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1
197610483	ZINC000163081816	ref	11.03	-30.97	0	313.361	1.369	1	5	4	CCc1ccccc1N1C[C@@H](C(=O)Nc2nncn2C)CC1=O
365650686	ZINC000625121201	ref	8.77	-10.9	0	306.435	2.423	0	6	6	CCc1nnc(N(C)CC2(C)COC2)n1Cc1cccs1
210256253	ZINC000265953623	ref	2.62	-12.89	0	360.458	0.554	1	5	6	C[C@H](C(=O)NCCCN1C(=O)COc2ccccc21)N1CCN(C)CC1
365650691	ZINC000625121366	ref	6.35	-10.95	0	316.405	2.355	1	5	6	Cn1cc(CCCNC(=O)c2cccc(OC(C)(C)C)n2)cn1
365650695	ZINC000625121172	ref	1.56	-7.35	0	317.393	2.371	0	7	5	COc1cncc(CN2CCC[C@@H](c3noc(C(C)C)n3)C2)n1
342602963	ZINC000617006181	mid	7.23	-43.81	1	276.384	1.432	2	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCC2
342602964	ZINC000617006181	high	4.25	-11.52	0	276.384	1.432	1	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cnc2n1CCC2
342602965	ZINC000590878495	ref	2.26	-10.32	0	252.27	1.136	1	5	4	CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)c1cocn1
342602966	ZINC000590881428	ref	2.17	-12.35	0	284.262	1.352	2	4	5	C[C@H](O)CN(CC(F)F)C(=O)c1cc(O)cc(C#N)c1
222609592	ZINC000222548188	ref	13.15	-13.22	0	394.559	4.507	1	2	10	CCCC(=O)N(Cc1cccc(C)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C
342602967	ZINC000590881428	mid	2.92	-44.99	-1	284.262	1.352	1	4	5	C[C@H](O)CN(CC(F)F)C(=O)c1cc([O-])cc(C#N)c1
197610489	ZINC000163075094	ref	6.09	-13.33	0	300.33	3.24	1	4	6	CS[C@H](C)CC(=O)Nc1cc(C#N)ccc1OC(F)F
342602968	ZINC000617006205	ref	4.09	-39.47	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CCOC1
343995683	ZINC000599275486	ref	1.43	-17.72	0	269.432	1.109	1	3	7	CCC(C)(C)CS(=O)(=O)N[C@@H](C)C[S@@](C)=O
342602969	ZINC000617006205	mid	4.64	-39.6	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CCOC1
342602970	ZINC000617006205	high	1.81	-9.6	0	284.4	1.027	1	4	5	CO[C@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@@H]1CCOC1
342602971	ZINC000617006168	ref	5.84	-39.77	1	292.427	1.903	2	3	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1cnn(C)c1
214201315	ZINC000053838669	ref	4.95	-25.87	0	328.372	0.505	1	5	6	CN(C)C(=O)CCNC(=O)Cn1nc(-c2ccccc2)ccc1=O
214201318	ZINC000053837523	ref	5.42	-9.47	0	339.321	1.587	0	5	3	O=C(c1cnn(-c2ccccc2)n1)N1CCN(CC(F)(F)F)CC1
214201321	ZINC000053836662	ref	11.54	-25.97	0	331.376	1.843	1	6	6	CC(C)(C)c1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1
342602972	ZINC000617006168	mid	7.09	-39.53	1	292.427	1.903	2	3	5	C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1cnn(C)c1
342602973	ZINC000617006168	high	4.06	-9.56	0	292.427	1.903	1	4	5	C[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)c1cnn(C)c1
342602974	ZINC000590881426	ref	1.53	-13.8	0	284.262	1.352	2	4	5	C[C@@H](O)CN(CC(F)F)C(=O)c1cc(O)cc(C#N)c1
214201325	ZINC000053830623	ref	8.67	-44.99	1	326.184	3.84	1	0	4	[NH3+][C@H](Cc1cccc(F)c1)Cc1cc(Br)ccc1F
342602975	ZINC000590881426	mid	2.29	-39.87	-1	284.262	1.352	1	4	5	C[C@@H](O)CN(CC(F)F)C(=O)c1cc([O-])cc(C#N)c1
168365660	ZINC000368503740	high	5.86	-8.1	0	347.503	3.251	2	3	7	CC(C)[C@H](C)CNC(=O)NCc1ccc(OC2CCN(C)CC2)cc1
168365662	ZINC000368502115	ref	8.04	-10.66	0	332.473	3.375	1	5	5	CCCC[C@H](CC)C(=O)N1CCc2c(sc3ncnc(N)c23)C1
342602976	ZINC000617006116	ref	1.96	-7.34	0	295.408	1.948	1	5	4	CC(=O)c1ncc(C(=O)NC[C@H]2CCN2C(C)(C)C)s1
342602977	ZINC000617006116	low	5.0	-38.56	1	295.408	1.948	2	4	4	CC(=O)c1ncc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)s1
197610505	ZINC000290145621	ref	3.73	-10.66	0	268.382	1.615	2	3	6	Cc1ccc(CCC(=O)N[C@@H](C(N)=O)C(C)C)s1
342602978	ZINC000617006116	low	3.88	-39.07	1	295.408	1.948	2	4	4	CC(=O)c1ncc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)s1
342602979	ZINC000617005833	ref	5.72	-39.87	1	292.427	1.588	2	3	5	C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602980	ZINC000617005833	mid	6.3	-40.24	1	292.427	1.588	2	3	5	C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602981	ZINC000617005833	high	3.82	-9.95	0	292.427	1.588	1	4	5	C[C@H](Cc1cnn(C)c1)C(=O)NC[C@@H]1CCN1C(C)(C)C
342602982	ZINC000617005982	ref	4.63	-42.17	1	264.373	1.331	2	3	3	Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
365650690	ZINC000576648160	ref	-0.44	-15.97	0	226.276	-0.207	2	3	3	CC1(C)C[C@@H]1C(=O)N[C@@]1(C(N)=O)CCOC1
342089869	ZINC000621366242	ref	4.72	-38.4	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1
342089870	ZINC000621366242	mid	5.45	-40.32	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@H+]1CC[C@H](C)[C@@H](CO)C1
342089871	ZINC000621366242	high	3.31	-6.94	0	252.358	1.996	1	4	4	CCc1noc(C)c1CN1CC[C@H](C)[C@@H](CO)C1
342089872	ZINC000048433146	ref	5.37	-7.71	0	268.269	1.686	0	5	5	CCN(C[C@H]1CCOC1)C(=O)c1ccc([N+](=O)[O-])o1
342089873	ZINC000600317498	ref	5.5	-13.61	0	262.265	1.6	0	4	2	O=C(c1ccc([N+](=O)[O-])cc1)N1CC2(CCCO2)C1
342089874	ZINC000621366243	ref	5.19	-39.27	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@@H+]1CC[C@H](C)[C@H](CO)C1
342089875	ZINC000621366243	mid	5.48	-39.91	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@H+]1CC[C@H](C)[C@H](CO)C1
214201316	ZINC000278511109	high	4.51	-5.3	0	306.475	2.091	1	4	5	O[C@H](CN1CCN(C[C@@H]2CCSC2)CC1)c1ccccc1
214201319	ZINC000278511921	ref	3.43	-14.65	0	315.373	1.769	2	5	6	COc1ccc(C(=O)NC[C@H](O)c2cnn(C)c2)cc1C1CC1
214201322	ZINC000278511111	ref	6.6	-41.37	1	306.475	2.091	2	3	5	O[C@H](CN1CC[NH+](C[C@H]2CCSC2)CC1)c1ccccc1
343995684	ZINC000599277671	ref	6.82	-48.19	1	270.373	1.32	2	3	7	CCC(=O)N[C@@H]1CCC[N@H+](CCCCC(=O)OC)C1
214201324	ZINC000278511111	high	4.56	-5.38	0	306.475	2.091	1	4	5	O[C@H](CN1CCN(C[C@H]2CCSC2)CC1)c1ccccc1
342089876	ZINC000621366243	high	2.74	-6.52	0	252.358	1.996	1	4	4	CCc1noc(C)c1CN1CC[C@H](C)[C@H](CO)C1
342089877	ZINC000311447224	ref	1.13	-31.42	1	262.357	1.06	2	3	4	Cc1cc(NC2CCN(CC(N)=O)CC2)cc(C)[nH+]1
342089878	ZINC000311447224	mid	3.3	-83.97	2	262.357	1.06	3	2	4	Cc1cc(NC2CC[NH+](CC(N)=O)CC2)cc(C)[nH+]1
342089879	ZINC000046877950	ref	7.84	-40.27	1	286.379	1.796	2	3	4	C[C@@H]1CCC[N@H+](CCNC(=O)c2cn3ccccc3n2)C1
342089880	ZINC000046877950	mid	7.85	-39.76	1	286.379	1.796	2	3	4	C[C@@H]1CCC[N@@H+](CCNC(=O)c2cn3ccccc3n2)C1
342089881	ZINC000046877950	high	5.31	-10.72	0	286.379	1.796	1	4	4	C[C@@H]1CCCN(CCNC(=O)c2cn3ccccc3n2)C1
168365666	ZINC000368504008	ref	5.26	-7.56	0	328.416	3.381	1	5	5	CC(C)[C@H](NC(=O)C1CC(C)(C)C1)c1nc(-c2ccncc2)no1
342089882	ZINC000048430395	ref	7.6	-22.52	0	288.347	1.822	0	4	6	CCN(C[C@@H]1CCOC1)C(=O)COc1ccccc1C#N
342089883	ZINC000131949339	ref	4.32	-8.31	0	256.39	1.743	0	3	5	CCC[C@H]1CN([C@@H](C)C(=O)N(C)C(C)C)CCO1
214201327	ZINC000278510747	ref	10.34	-52.8	1	322.449	2.266	1	2	4	O=C(Cc1ccccc1F)N1CC[NH+](C[C@H]2CCSC2)CC1
342602983	ZINC000617005982	mid	5.67	-40.39	1	264.373	1.331	2	3	3	Cc1cnn(C)c1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602984	ZINC000617005982	high	2.36	-10.13	0	264.373	1.331	1	4	3	Cc1cnn(C)c1C(=O)NC[C@@H]1CCN1C(C)(C)C
210256258	ZINC000265953623	mid	5.0	-44.09	1	360.458	0.554	2	4	6	C[C@H](C(=O)NCCCN1C(=O)COc2ccccc21)N1CC[NH+](C)CC1
214201320	ZINC000337661019	ref	-1.37	-16.18	0	251.333	-0.241	1	7	4	C[C@@H](O)CS(=O)(=O)c1nnc(N(C)C)s1
210256262	ZINC000265953623	low	4.74	-39.12	1	360.458	0.554	2	4	6	C[C@H](C(=O)NCCCN1C(=O)COc2ccccc21)[NH+]1CCN(C)CC1
210256266	ZINC000265955416	ref	5.29	-16.76	0	361.423	0.948	0	5	3	Cc1ccc(S(=O)(=O)n2ccc(C(=O)N3CCN(C)C(=O)C3)c2)cc1
210256273	ZINC000265955805	ref	-1.01	-17.39	0	373.431	0.172	2	6	6	COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)N(C)CCO
210256278	ZINC000265954883	ref	0.87	-23.9	0	353.444	0.524	3	4	6	CCS(=O)(=O)NCc1ccc(C(=O)N[C@H]2CCCCNC2=O)cc1
210256282	ZINC000265955350	ref	-1.26	-40.71	-1	360.392	0.79	2	5	6	O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cn[nH]c1
365650692	ZINC000623090351	high	4.61	-37.01	1	319.493	1.895	2	3	8	C[C@@H]1C[C@H]([N@@H+](C)CCN(C)CCO)CCN1Cc1ccccc1
210256287	ZINC000265955350	low	-1.29	-15.84	0	360.392	0.79	3	5	6	O=S(=O)(Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1)c1cn[nH]c1
210256292	ZINC000265955350	high	-1.56	-98.47	-2	360.392	0.79	1	5	6	O=S(=O)([N-]c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1cn[nH]c1
365650696	ZINC000623091030	ref	2.79	-39.44	1	306.435	1.561	2	5	8	CN(CC[N@H+](C)CCO)Cc1cnc(-c2ccccn2)s1
168365667	ZINC000185756880	ref	0.45	-12.73	0	235.349	0.676	1	3	6	CCC(CC)CS(=O)(=O)N1CC(CO)C1
214201323	ZINC000337657596	ref	2.61	-49.3	1	291.417	0.157	2	3	6	CC[NH+](CC)CCNC(=O)N1CC[C@@H](S(C)(=O)=O)C1
342602985	ZINC000617006208	ref	5.18	-43.28	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CCOC1
282952290	ZINC000127640595	ref	4.43	-9.32	0	301.415	2.521	1	4	4	CC[C@H]1C(=O)NCCN1Cc1ncc(-c2ccccc2)s1
342602986	ZINC000617006208	mid	4.08	-43.12	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[C@H]1CCOC1
342602987	ZINC000617006208	high	2.18	-11.27	0	284.4	1.027	1	4	5	CO[C@H](C(=O)NC[C@H]1CCN1C(C)(C)C)[C@H]1CCOC1
133429145	ZINC000306600952	ref	0.67	-14.92	0	182.223	0.321	2	3	3	N#CCCNC(=O)C1(O)CCCC1
214201326	ZINC000337657596	mid	0.46	-16.57	0	291.417	0.157	1	4	6	CCN(CC)CCNC(=O)N1CC[C@@H](S(C)(=O)=O)C1
398254099	ZINC000381594177	ref	4.8	-41.15	1	227.348	1.818	1	2	7	CCC1(C[NH2+]C[C@@](C)(OC)C2CC2)COC1
178325517	ZINC000237684734	ref	5.0	-56.55	1	356.426	1.577	2	4	5	Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178325519	ZINC000237697641	ref	1.72	-55.65	1	356.426	1.577	2	4	5	Cc1ccc(-c2ocnc2C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1
178325521	ZINC000237704076	ref	6.55	-46.56	1	365.359	1.738	3	4	5	O=C(NCCNc1nccc(C(F)(F)F)n1)[C@H]1Cc2ccccc2C[NH2+]1
349536111	ZINC000594971101	ref	9.87	-45.95	1	273.376	2.502	1	2	4	COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C
282123784	ZINC000449157165	ref	0.76	-10.93	0	287.363	2.089	2	5	8	COc1nccc(CN[C@@H](CCCO)c2ccccc2)n1
178325524	ZINC000237704076	mid	5.14	-12.32	0	365.359	1.738	3	5	5	O=C(NCCNc1nccc(C(F)(F)F)n1)[C@H]1Cc2ccccc2CN1
349536114	ZINC000594970329	ref	7.29	-52.67	1	290.363	2.749	2	3	7	C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1(CO)CC1
365650693	ZINC000274399525	ref	3.64	-47.69	1	264.373	1.592	2	3	4	C[C@H](C[NH3+])NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
365650699	ZINC000274399098	ref	4.41	-41.37	1	290.363	1.422	2	3	7	C[C@@H](O)CC[NH2+][C@H](C)CCN1C(=O)c2ccccc2C1=O
178325526	ZINC000237700472	ref	5.28	-54.55	1	366.465	1.984	2	3	5	Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
342602988	ZINC000617005831	ref	6.31	-40.93	1	292.427	1.588	2	3	5	C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
282123792	ZINC000449157165	mid	1.69	-46.4	1	287.363	2.089	2	4	8	COc1nccc(C[NH2+][C@@H](CCCO)c2ccccc2)n1
178325530	ZINC000237705823	ref	3.03	-49.41	1	354.248	1.94	3	2	4	Cc1cc(NC(=O)CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)ccc1Br
178325533	ZINC000237692970	ref	9.35	-51.05	1	357.498	1.988	1	2	5	Cc1ccc(CC(=O)N2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)cc1
178325537	ZINC000237701030	ref	5.45	-61.08	1	372.513	1.408	1	3	4	C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C1
365650709	ZINC000274399675	ref	3.3	-8.03	0	264.325	1.623	1	5	4	CCOC(=O)[C@H]1CCCN1Cc1nc(C)ccc1O
365650716	ZINC000274399675	low	5.32	-30.92	1	264.325	1.623	2	4	4	CCOC(=O)[C@H]1CCC[N@@H+]1Cc1nc(C)ccc1O
365650724	ZINC000274399675	low	5.07	-32.36	1	264.325	1.623	2	4	4	CCOC(=O)[C@H]1CCC[N@H+]1Cc1nc(C)ccc1O
178325540	ZINC000237684713	ref	4.24	-61.29	1	372.513	1.598	2	3	5	C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C1
365650727	ZINC000274399675	high	4.04	-45.22	-1	264.325	1.623	0	5	4	CCOC(=O)[C@H]1CCCN1Cc1nc(C)ccc1[O-]
398249932	ZINC000651466347	ref	5.92	-7.11	0	288.416	3.197	2	4	6	OCC1(CCNc2nc(-c3ccccc3)cs2)CCC1
398253931	ZINC000650887776	ref	3.78	-12.83	0	293.367	1.137	0	5	2	Cn1nccc1[C@H]1COCCN1C(=O)[C@@H]1CCCOCC1
168365668	ZINC000368504140	ref	7.8	-13.47	0	346.471	3.228	1	3	5	COc1ccc(CC[C@@H](C)NC(=O)N2CC[C@]3(CCCOC3)C2)cc1
342089884	ZINC000131949339	low	6.77	-34.6	1	256.39	1.743	1	2	5	CCC[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1
295666991	ZINC000334758830	ref	6.86	-10.44	0	284.425	1.599	0	3	2	CS[C@H]1CCCCN(C(=O)[C@H]2CCCN(C)C2=O)C1
168367888	ZINC000083269435	mid	1.53	-57.01	1	161.208	1.583	2	1	1	C[C@@H]([NH3+])c1cnc2cc[nH]cc1-2
136230289	ZINC000295639627	ref	6.3	-7.99	0	245.322	2.099	1	2	6	C#Cc1ccc(CNC(=O)CCOC(C)C)cc1
136230290	ZINC000295489827	ref	6.39	-11.42	0	243.306	1.853	1	2	4	C#Cc1ccc(CNC(=O)C[C@H]2CCCO2)cc1
136230291	ZINC000295463957	ref	6.16	-10.76	0	249.285	2.176	1	2	6	C#CCCOc1ccc(C(=O)N[C@@H](C)CF)cc1
342089885	ZINC000131949339	low	6.71	-34.97	1	256.39	1.743	1	2	5	CCC[C@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1
136230292	ZINC000295640422	ref	3.05	-8.02	0	225.288	0.567	1	3	4	CC#CCNC(=O)C[C@@H]1CCOC[C@@H]1OC
136230293	ZINC000295623451	ref	3.43	-18.01	0	229.345	0.919	1	2	4	C#C[C@H](NC(=O)C[S@@](=O)CC)C(C)(C)C
136230294	ZINC000295621843	ref	2.87	-9.42	0	211.305	1.62	2	2	6	C=CCCCC(=O)N[C@H]1CC[C@@H](CO)C1
136230295	ZINC000295635165	ref	6.42	-16.37	0	227.279	1.375	0	2	3	C#CCO[C@@H](C)C(=O)N1CCC[C@@](C)(F)C1
136230296	ZINC000295623204	ref	3.82	-12.89	0	245.322	1.973	2	2	3	C=CC(C)(C)C(=O)N[C@@H]1c2ccccc2C[C@H]1O
136230297	ZINC000233223458	ref	4.04	-46.78	1	228.336	0.856	1	2	5	CCCOCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1
342089886	ZINC000588345890	ref	8.01	-15.27	0	281.319	1.627	0	5	2	N#Cc1ccnc(C(=O)N2CCC[C@H](n3ccnc3)C2)c1
136230298	ZINC000233223637	ref	5.98	-51.36	-1	229.276	0.735	0	4	5	CCCOCC(=O)N1CC[C@H](C(=O)[O-])[C@@H]1C
136230299	ZINC000233223945	ref	5.05	-67.61	1	248.326	1.33	1	2	4	CCCOCC(=O)N1C[C@@H]([NH3+])Cc2ccccc21
136230300	ZINC000233223945	high	4.72	-11.33	0	248.326	1.33	1	3	4	CCCOCC(=O)N1C[C@@H](N)Cc2ccccc21
136230301	ZINC000233222654	ref	4.02	-41.22	1	228.336	1.143	1	2	6	CCCOCC(=O)N1CCCC[C@H]1CC[NH3+]
136230302	ZINC000295623918	ref	6.91	-7.47	0	241.29	2.748	1	2	3	CC#CCNC(=O)c1oc2ccccc2c1CC
136230303	ZINC000295476785	ref	4.87	-10.79	0	247.338	2.652	2	2	5	C=CC(C)(C)C(=O)N[C@@H](C)Cc1ccc(O)cc1
342089887	ZINC000588345890	low	8.71	-39.19	1	281.319	1.627	0	4	2	N#Cc1ccnc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c1
136230304	ZINC000295625538	ref	2.51	-11.53	0	227.304	0.69	2	3	6	C#CCO[C@H](C)C(=O)N[C@@H](CC)C(C)(C)O
136230305	ZINC000295474369	ref	4.02	-45.02	-1	213.277	1.424	0	3	4	C=C(C)[C@H]1OCC[C@H]1C(=O)[N-]OC(C)C
398249933	ZINC000649443411	ref	8.08	-17.92	0	232.287	1.545	0	5	5	CC(C)(CC(=O)Cn1cnc(C#N)n1)C1CC1
342602989	ZINC000617005831	mid	5.71	-40.68	1	292.427	1.588	2	3	5	C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
398249934	ZINC000649443281	ref	5.82	-7.62	0	240.302	3.089	1	2	2	Cc1cc(-c2ccc3c(c2)CCO3)ccc1CO
342602990	ZINC000617005831	high	3.71	-10.14	0	292.427	1.588	1	4	5	C[C@@H](Cc1cnn(C)c1)C(=O)NC[C@H]1CCN1C(C)(C)C
342602991	ZINC000590878587	ref	3.64	-16.22	0	284.319	1.358	2	5	4	C[C@H](Cc1cnn(C)c1)NC(=O)c1cc(O)cc(C#N)c1
342602992	ZINC000590878587	mid	4.39	-43.07	-1	284.319	1.358	1	5	4	C[C@H](Cc1cnn(C)c1)NC(=O)c1cc([O-])cc(C#N)c1
398249935	ZINC000381277994	ref	1.95	-90.07	2	211.353	0.657	3	0	4	[NH3+]CC[C@H]1CCC[N@H+](C[C@H]2CC[NH2+]C2)C1
398249936	ZINC000381277994	mid	4.13	-172.19	3	211.353	0.657	3	0	4	[NH3+]CC[C@H]1CCC[N@@H+](C[C@H]2CC[NH2+]C2)C1
342602993	ZINC000617006100	ref	3.67	-38.23	1	286.416	1.419	2	3	9	COCCCOCCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342602994	ZINC000617006100	mid	4.91	-38.01	1	286.416	1.419	2	3	9	COCCCOCCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342602995	ZINC000617006100	high	1.89	-7.88	0	286.416	1.419	1	4	9	COCCCOCCC(=O)NC[C@@H]1CCN1C(C)(C)C
214201329	ZINC000278510747	mid	8.32	-11.51	0	322.449	2.266	0	3	4	O=C(Cc1ccccc1F)N1CCN(C[C@H]2CCSC2)CC1
342602996	ZINC000617005900	ref	4.16	-40.54	1	280.372	1.031	2	4	4	COc1c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cnn1C
342602997	ZINC000617005900	mid	3.06	-40.66	1	280.372	1.031	2	4	4	COc1c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cnn1C
214201332	ZINC000278510842	ref	10.15	-102.43	2	323.278	3.413	2	0	5	Brc1cccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1
342602998	ZINC000617005900	high	1.22	-10.99	0	280.372	1.031	1	5	4	COc1c(C(=O)NC[C@H]2CCN2C(C)(C)C)cnn1C
365650694	ZINC000173010743	ref	4.62	-12.06	0	296.371	1.686	1	5	3	CN(C(=O)C(C)(C)NC(=O)OC(C)(C)C)c1cnn(C)c1
342602999	ZINC000617005977	ref	2.96	-37.87	1	284.4	1.171	2	3	5	CCO[C@]1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOC1
136230306	ZINC000295474369	mid	4.56	-14.13	0	213.277	1.424	1	3	4	C=C(C)[C@H]1OCC[C@H]1C(=O)NOC(C)C
136230307	ZINC000295631418	ref	5.4	-8.21	0	219.275	2.75	1	1	6	C=CC(C)(C)C(=O)NCCCC(C)(F)F
342603000	ZINC000617005977	mid	4.27	-36.76	1	284.4	1.171	2	3	5	CCO[C@]1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOC1
398249937	ZINC000381277994	high	1.95	-90.07	2	211.353	0.657	2	1	4	[NH3+]CC[C@H]1CCCN(C[C@H]2CC[NH2+]C2)C1
342089888	ZINC000621366155	ref	2.66	-45.73	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@H](C)[C@H](CO)C1
342089889	ZINC000621366155	mid	2.89	-46.09	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@H+]1CC[C@H](C)[C@H](CO)C1
342089890	ZINC000621366155	mid	0.28	-12.94	0	277.43	1.15	1	4	6	CC(C)S(=O)(=O)CCCN1CC[C@H](C)[C@H](CO)C1
342089891	ZINC000131949135	ref	4.29	-8.53	0	256.39	1.743	0	3	5	CCC[C@@H]1CN([C@@H](C)C(=O)N(C)C(C)C)CCO1
342089892	ZINC000131949135	low	6.71	-34.46	1	256.39	1.743	1	2	5	CCC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1
342089893	ZINC000131949135	low	6.77	-34.83	1	256.39	1.743	1	2	5	CCC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)C(C)C)CCO1
342089894	ZINC000609075022	ref	5.1	-48.13	1	259.353	1.817	3	3	5	N#Cc1ccc(NCCC[NH+]2CCC(O)CC2)cc1
342089895	ZINC000609075022	high	2.73	-8.07	0	259.353	1.817	2	4	5	N#Cc1ccc(NCCCN2CCC(O)CC2)cc1
342089896	ZINC000322989367	ref	1.02	-8.88	0	255.701	1.138	2	3	2	Cc1cc(Cl)ccc1C(=O)N[C@H]1COC[C@@H]1O
342089897	ZINC000609076901	ref	6.08	-16.92	0	287.275	1.685	1	5	6	O=C(COc1cccnc1)NCc1cccc([N+](=O)[O-])c1
342089898	ZINC000600317448	ref	6.62	-16.0	0	276.292	1.529	0	4	3	O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC2(CCCO2)C1
342089899	ZINC000609075328	ref	7.3	-37.1	1	294.359	1.108	2	6	2	CC(C)(C)[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1
342089900	ZINC000609075328	mid	6.53	-38.12	1	294.359	1.108	2	6	2	CC(C)(C)[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1
342089901	ZINC000609075328	high	5.5	-4.42	0	294.359	1.108	1	7	2	CC(C)(C)N1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1
342089902	ZINC000621366303	ref	5.64	-44.48	1	291.395	1.969	1	3	5	CCOc1cncc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1
342089903	ZINC000621366303	mid	4.36	-8.66	0	291.395	1.969	1	4	5	CCOc1cncc(CN[C@@H]2CCN(C(C)(C)C)C2=O)c1
342089904	ZINC000621366245	ref	5.41	-39.77	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342089905	ZINC000621366245	mid	5.26	-39.44	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342089906	ZINC000621366245	high	3.08	-6.9	0	252.358	1.996	1	4	4	CCc1noc(C)c1CN1CC[C@@H](C)[C@@H](CO)C1
342089907	ZINC000609075786	ref	2.16	-15.24	0	285.369	1.16	1	6	6	CCc1noc(CSCC(=O)NC2CCOCC2)n1
342089908	ZINC000609075375	ref	2.11	-8.42	0	299.396	1.673	0	7	5	CCOC(=O)[C@@H]1CSCCN1Cc1nnc(C(C)C)o1
342089909	ZINC000609076941	ref	5.27	-25.5	0	291.376	1.774	2	2	4	CCc1cc(=NC(=O)c2ccccc2[S@](=O)CC)[nH][nH]1
342089910	ZINC000052014069	ref	3.21	-40.7	1	293.407	1.882	3	3	7	CCc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1
342089911	ZINC000600317495	ref	3.18	-15.15	0	258.387	1.144	2	3	6	CCS[C@H](C(=O)N[C@@H]1C[C@@H](C(N)=O)C1)C(C)C
197610518	ZINC000290144312	ref	7.43	-52.04	1	298.386	2.895	1	2	2	O=C(c1coc2ccccc12)N1CCC([C@@H]2CC[NH2+]C2)CC1
365650697	ZINC000336563327	ref	6.85	-10.45	0	276.336	2.429	0	3	3	COc1ccc([C@H](C)N2C(=O)N(C)C(C)(C)C2=O)cc1
178325542	ZINC000237694176	ref	4.18	-53.14	1	368.485	1.595	3	4	5	C[C@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[N@@H+]1Cc1ccccc1
365650704	ZINC000336563445	ref	5.38	-15.31	0	292.289	2.367	3	2	2	O=C(Nc1cccc(F)c1F)N[C@@H]1CCc2[nH]cnc2C1
365650714	ZINC000336563445	mid	5.37	-12.27	0	292.289	2.367	3	2	2	O=C(Nc1cccc(F)c1F)N[C@@H]1CCc2nc[nH]c2C1
365650717	ZINC000336563445	low	5.84	-39.17	1	292.289	2.367	3	1	2	O=C(Nc1cccc(F)c1F)N[C@@H]1CCc2[nH+]c[nH]c2C1
365650722	ZINC000336563445	low	5.85	-38.96	1	292.289	2.367	3	1	2	O=C(Nc1cccc(F)c1F)N[C@@H]1CCc2[nH]c[nH+]c2C1
342089912	ZINC000621366153	ref	2.87	-46.28	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H](C)[C@H](CO)C1
342089913	ZINC000621366153	mid	2.4	-45.14	1	277.43	1.15	2	3	6	CC(C)S(=O)(=O)CCC[N@H+]1CC[C@@H](C)[C@H](CO)C1
365650728	ZINC000336563399	ref	5.67	-5.96	0	269.385	2.217	0	3	3	CO[C@](C)(C(=O)N1CC(C)(C)OC(C)(C)C1)C1CC1
197610530	ZINC000290144600	ref	6.76	-8.39	0	286.375	3.017	1	4	5	Cc1cccc(C2(c3noc(C[C@H](O)C(C)C)n3)CC2)c1
342089914	ZINC000621366153	mid	0.5	-12.9	0	277.43	1.15	1	4	6	CC(C)S(=O)(=O)CCCN1CC[C@@H](C)[C@H](CO)C1
365650734	ZINC000336563546	ref	4.78	-46.45	1	287.407	2.007	2	2	3	Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@@]2(CC[NH2+]C2)C1
282123786	ZINC000117023797	high	5.02	-10.11	0	317.433	2.036	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3ccccc32)CCO1
214201330	ZINC000337659715	ref	4.05	-12.53	0	268.294	0.887	0	6	3	COC(=O)c1sc(CN2C(=O)CCC2=O)nc1C
342089915	ZINC000600317441	ref	6.29	-17.47	0	272.304	1.328	0	4	3	N#Cc1ccc(OCC(=O)N2CC3(CCCO3)C2)cc1
342089916	ZINC000588345775	ref	3.64	-15.77	0	281.4	1.687	1	4	8	CC1(C)COCCN1CCNC(=O)CCCCCC#N
342089917	ZINC000588345775	low	5.71	-47.08	1	281.4	1.687	2	3	8	CC1(C)COCC[N@@H+]1CCNC(=O)CCCCCC#N
342089918	ZINC000588345775	low	5.7	-47.04	1	281.4	1.687	2	3	8	CC1(C)COCC[N@H+]1CCNC(=O)CCCCCC#N
342089919	ZINC000600317587	ref	3.61	-18.57	0	264.325	1.088	0	4	2	N#CC1(CC(=O)N2CC3(CCCO3)C2)CCOCC1
342089920	ZINC000600317437	ref	4.8	-11.57	0	268.294	1.661	0	5	2	O=C(c1ccc([N+](=O)[O-])s1)N1CC2(CCCO2)C1
214201333	ZINC000053837159	ref	9.49	-41.27	1	343.471	3.262	2	2	5	CC1CCC([N@H+](C)CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1
214201335	ZINC000053837159	mid	9.49	-41.46	1	343.471	3.262	2	2	5	CC1CCC([N@@H+](C)CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1
214201338	ZINC000053837159	high	7.14	-12.9	0	343.471	3.262	1	3	5	CC1CCC(N(C)CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1
342603001	ZINC000617005977	high	2.08	-7.43	0	284.4	1.171	1	4	5	CCO[C@]1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOC1
214201342	ZINC000053837348	ref	7.62	-10.29	0	338.333	2.192	0	4	3	O=C(c1cncn1-c1ccccc1)N1CCN(CC(F)(F)F)CC1
342603002	ZINC000617006167	ref	6.96	-39.41	1	292.427	1.903	2	3	5	C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1cnn(C)c1
365650698	ZINC000576648357	ref	2.54	-19.32	0	222.248	-0.529	2	5	2	Cn1cnc(N[C@H]2CCCNC2=O)cc1=O
365650705	ZINC000576649705	ref	6.38	-40.64	1	235.375	3.085	2	1	3	Cc1nc(C[NH2+][C@@H]2CCCC(C)(C)C2)[nH]c1C
214201345	ZINC000053836388	ref	11.23	-33.97	0	345.294	1.458	1	8	5	Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)n(-c2ccccc2F)n1
290624432	ZINC000335368091	ref	6.92	-9.55	0	289.375	3.005	0	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)c3occ4c3CCOC4)C2)C1
342603003	ZINC000617006167	mid	5.84	-39.81	1	292.427	1.903	2	3	5	C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1cnn(C)c1
342603004	ZINC000617006167	high	3.94	-9.7	0	292.427	1.903	1	4	5	C[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)c1cnn(C)c1
398249938	ZINC000286760271	ref	4.18	-6.01	0	247.125	2.835	1	2	2	Cc1nc(Cl)c(Cl)cc1C(=O)NC(C)C
342603005	ZINC000617005917	ref	6.49	-41.65	1	278.4	1.434	2	3	5	CCn1ccc(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1
342603006	ZINC000617005917	mid	5.37	-42.39	1	278.4	1.434	2	3	5	CCn1ccc(CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1
365650713	ZINC000576649705	high	5.2	-6.64	0	235.375	3.085	2	2	3	Cc1nc(CN[C@@H]2CCCC(C)(C)C2)[nH]c1C
365650721	ZINC000576649683	ref	-0.42	-10.16	0	248.348	-0.113	1	3	3	C[C@@H]1CCN(S(=O)(=O)N2CC(C)(CO)C2)C1
398249939	ZINC000286670254	ref	7.07	-43.82	1	245.322	3.115	1	2	8	C=CCCOCC[NH2+]Cc1ccc2occc2c1
295666992	ZINC000335674338	ref	5.74	-10.71	0	257.399	2.157	0	3	2	CS[C@H]1CCCCN(C(=O)[C@@]2(C)CCOC2)C1
342603007	ZINC000617005917	high	3.47	-14.39	0	278.4	1.434	1	4	5	CCn1ccc(CC(=O)NC[C@H]2CCN2C(C)(C)C)n1
365650730	ZINC000576651794	ref	4.58	-10.97	0	220.272	1.349	0	3	3	CC[C@@H](OC)C(=O)N1Cc2cccnc2C1
365650735	ZINC000176025416	ref	6.26	-7.77	0	216.284	2.375	1	2	3	Cc1cnccc1NC(=O)[C@@H]1C[C@@H]1C1CC1
365650701	ZINC000625121172	low	2.6	-38.85	1	317.393	2.371	1	6	5	COc1cncc(C[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1
178325544	ZINC000237694176	mid	6.4	-94.78	2	368.485	1.595	3	4	5	C[C@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[N@H+]1Cc1ccccc1
365650707	ZINC000625121172	low	3.84	-40.42	1	317.393	2.371	1	6	5	COc1cncc(C[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1
365650712	ZINC000625121014	ref	4.08	-11.93	0	316.398	2.016	1	4	8	CCO[C@@H](CS(=O)(=O)N[C@@H](C)c1cncc(F)c1)C1CC1
365650718	ZINC000625120921	ref	5.88	-13.3	0	319.43	2.249	1	4	3	Cc1ccc2c(c1)[C@@H](NS(=O)(=O)c1cnc(C)n1C)[C@H](C)C2
178325546	ZINC000237694176	high	4.18	-53.14	1	368.485	1.595	2	5	5	C[C@H]1C[C@@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CN1Cc1ccccc1
178325548	ZINC000237705816	ref	6.62	-91.66	2	362.522	1.609	3	4	6	Cc1c(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nnn1C1CC[NH2+]CC1
178325552	ZINC000237696621	ref	5.17	-46.75	1	358.486	1.089	1	3	5	C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H]([NH3+])c1ccccc1
365650723	ZINC000625119627	ref	8.42	-16.21	0	315.417	2.383	1	4	8	Cc1ccccc1CO[C@H](C)C(=O)NCCCc1cnn(C)c1
342603008	ZINC000617005857	ref	5.82	-36.4	1	264.373	1.506	2	3	4	CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1
178325554	ZINC000237696621	high	4.83	-14.91	0	358.486	1.089	1	4	5	C[C@@H](C(=O)N1CCN(CC(=O)N2CCCC2)CC1)[C@H](N)c1ccccc1
365650729	ZINC000625120840	ref	6.5	-7.26	0	306.45	2.34	1	3	9	COCCN(CCc1ccccc1)CC(=O)NCC(C)(C)C
365650736	ZINC000625120840	mid	8.53	-40.55	1	306.45	2.34	2	2	9	COCC[N@H+](CCc1ccccc1)CC(=O)NCC(C)(C)C
365650742	ZINC000625120840	mid	8.54	-41.51	1	306.45	2.34	2	2	9	COCC[N@@H+](CCc1ccccc1)CC(=O)NCC(C)(C)C
365650746	ZINC000625121124	ref	2.86	-12.43	0	303.346	2.204	1	3	5	CC[C@H](CC(F)(F)F)NS(=O)(=O)[C@@H]1COC(C)(C)C1
365650753	ZINC000625119527	ref	8.29	-24.49	0	314.389	2.299	2	4	5	CCCn1c(NC(=O)[C@H](C)[C@@H]2CCC(=O)N2)nc2ccccc21
178325557	ZINC000237690090	ref	5.2	-63.72	1	360.458	1.344	3	3	4	Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCO3)C2)cc1
178325560	ZINC000237690090	mid	3.84	-18.5	0	360.458	1.344	3	4	4	Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@@H]3CNCCO3)C2)cc1
365650760	ZINC000625121638	ref	3.83	-37.78	1	320.437	2.002	2	4	7	CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2cncc(OC)n2)C1
365650766	ZINC000625121638	mid	4.59	-41.78	1	320.437	2.002	2	4	7	CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](Cc2cncc(OC)n2)C1
342089921	ZINC000621366244	ref	5.39	-40.15	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1
342089922	ZINC000621366244	mid	4.87	-38.44	1	252.358	1.996	2	3	4	CCc1noc(C)c1C[N@H+]1CC[C@@H](C)[C@H](CO)C1
342089923	ZINC000621366244	high	2.95	-6.5	0	252.358	1.996	1	4	4	CCc1noc(C)c1CN1CC[C@@H](C)[C@H](CO)C1
342089924	ZINC000621366275	ref	-0.9	-8.08	0	269.345	1.227	1	6	5	CO[C@H](C)c1noc(CN2CC[C@@H](C)[C@H](CO)C2)n1
212173470	ZINC000335496178	ref	5.54	-10.48	0	262.357	0.994	0	4	1	C[C@H]1CN(C)[C@H](C)CN1C(=O)c1cn2c(n1)CCC2
212173475	ZINC000335496178	mid	8.09	-39.47	1	262.357	0.994	1	3	1	C[C@H]1C[N@H+](C)[C@H](C)CN1C(=O)c1cn2c(n1)CCC2
212173476	ZINC000335496178	mid	7.82	-38.28	1	262.357	0.994	1	3	1	C[C@H]1C[N@@H+](C)[C@H](C)CN1C(=O)c1cn2c(n1)CCC2
342089925	ZINC000621366275	low	1.52	-41.23	1	269.345	1.227	2	5	5	CO[C@H](C)c1noc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)n1
342089926	ZINC000621366275	low	0.74	-39.01	1	269.345	1.227	2	5	5	CO[C@H](C)c1noc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)n1
342089927	ZINC000052014116	ref	1.86	-43.24	1	283.343	1.458	3	3	6	O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COc1ccc(F)cc1
342089928	ZINC000609076940	ref	4.17	-16.57	0	291.376	1.774	2	2	4	CCc1cc(=NC(=O)c2ccccc2[S@@](=O)CC)[nH][nH]1
342104033	ZINC000047675518	ref	2.06	-16.69	0	293.367	1.478	3	3	6	CCOCCCNC(=O)N[C@H]1CCCc2[nH]c(=O)ccc21
342104034	ZINC000123334948	ref	3.29	-10.74	0	276.321	1.227	0	6	3	O=C(c1csnn1)N1CC[C@@H](Oc2cccnc2)C1
342104035	ZINC000081701453	ref	3.06	-14.47	0	271.32	1.117	2	4	2	Cc1cc(C(=O)N[C@H]2c3ccccc3C[C@H]2O)nn1C
342104036	ZINC000041688178	ref	4.98	-19.31	0	299.334	1.665	1	6	6	Cc1noc(CCCC(=O)NCc2cn3ccccc3n2)n1
342104037	ZINC000041688178	low	5.43	-41.13	1	299.334	1.665	1	5	6	Cc1noc(CCCC(=O)NCc2cn3ccccc3[nH+]2)n1
342104038	ZINC000047679481	ref	2.72	-17.49	0	288.413	1.299	2	3	3	C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CCS(=O)(=O)C1
342104039	ZINC000047679926	ref	3.09	-15.65	0	255.362	1.39	3	2	5	CC(=O)NCCCNC(=O)N[C@@H]1CCCC[C@@H]1C
342104040	ZINC000151828716	ref	7.21	-53.58	1	283.416	1.138	2	2	8	CC(C)[NH2+]CCCNC(=O)[C@H](C(C)C)N1CCCC1=O
342104041	ZINC000047679803	ref	3.18	-7.3	0	283.416	1.585	2	3	4	C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)N1CCOCC1
342104042	ZINC000047679803	low	5.35	-41.53	1	283.416	1.585	3	2	4	C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H](C)[NH+]1CCOCC1
342104043	ZINC000047676966	ref	2.63	-8.72	0	295.358	1.346	2	3	5	C[C@@H](CN1CCOCC1)NC(=O)NCc1ccc(F)cc1
178325562	ZINC000237693360	ref	8.68	-47.52	1	361.511	1.303	1	3	4	Cc1ccc(CC(=O)N2CCN(C(=O)C[C@@H]3CSCC[NH2+]3)CC2)cc1
214201334	ZINC000337658015	ref	1.64	-18.73	0	259.331	0.237	1	6	4	C[C@@H](O)CS(=O)(=O)c1nnc(C2CCC2)n1C
214201337	ZINC000337657690	ref	2.1	-12.65	0	267.329	0.084	2	3	3	C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@@H]2CCOC2)CC1=O
282123788	ZINC000533474864	ref	4.34	-8.04	0	267.285	1.156	2	4	3	C[C@H](O)[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1
214201340	ZINC000337660121	ref	4.94	-17.93	0	285.384	2.204	1	2	7	C[C@H](CC(=O)NCCC[S@@](C)=O)c1ccc(F)cc1
178325566	ZINC000237693360	high	7.45	-13.41	0	361.511	1.303	1	4	4	Cc1ccc(CC(=O)N2CCN(C(=O)C[C@@H]3CSCCN3)CC2)cc1
282123798	ZINC000533474867	ref	3.03	-8.97	0	285.384	1.192	1	4	6	C[C@H](O)[C@@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1
282123804	ZINC000533474868	ref	2.83	-9.27	0	285.384	1.192	1	4	6	C[C@H](O)[C@H]1CCCN(C(=O)CCOC[C@H]2CCCO2)C1
178325568	ZINC000237702174	ref	5.61	-43.29	1	354.454	1.535	2	3	8	C[C@@H](C(=O)NCC(=O)N(C)CCc1ccccn1)[C@H]([NH3+])c1ccccc1
178325572	ZINC000237702174	high	5.3	-9.92	0	354.454	1.535	2	4	8	C[C@@H](C(=O)NCC(=O)N(C)CCc1ccccn1)[C@H](N)c1ccccc1
398249940	ZINC000286670254	high	5.71	-5.75	0	245.322	3.115	1	3	8	C=CCCOCCNCc1ccc2occc2c1
178325574	ZINC000237693519	ref	8.73	-51.2	1	365.477	1.778	1	2	5	Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)cc1
178325575	ZINC000237693519	high	8.42	-12.4	0	365.477	1.778	1	3	5	Cc1ccc(CC(=O)N2CCN(C(=O)[C@@H](N)Cc3ccccc3)CC2)cc1
178325578	ZINC000237705184	ref	6.36	-59.22	1	355.377	1.78	2	6	4	O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cn(C2CC[NH2+]CC2)nn1
214201348	ZINC000337658871	ref	1.45	-11.41	0	261.272	0.609	3	2	6	O=C(NCCNC(=O)C1CC1)NC1(C(F)F)CC1
178325580	ZINC000237705184	low	6.76	-89.24	2	355.377	1.78	2	5	4	O=C(Nc1ccc(-n2cc[nH+]c2)c(F)c1)c1cn(C2CC[NH2+]CC2)nn1
214201352	ZINC000337657807	ref	9.69	-14.38	0	284.363	2.133	1	4	6	CC1(CC(=O)NCc2ccccc2Cn2cncn2)CC1
178325583	ZINC000237686026	ref	3.89	-59.97	1	354.248	1.575	2	2	5	Cc1cc(N2C[C@@H](C(=O)NCCC[NH3+])CC2=O)ccc1Br
214201356	ZINC000337659868	ref	4.07	-10.71	0	298.427	2.14	2	3	5	CCC1(CNC(=O)N(C)CC2(O)CCCC2)CCOCC1
214201359	ZINC000337659184	ref	1.41	-18.05	0	285.325	0.538	1	7	4	Cc1occc1-c1nnc(S(=O)(=O)C[C@@H](C)O)n1C
323005554	ZINC000156775615	ref	6.34	-6.82	0	224.348	2.783	1	1	2	C=C(C)CNC(=O)N1C[C@H](C)CCC[C@H]1C
178325570	ZINC000062948296	ref	7.48	-53.52	-1	231.226	2.894	0	3	2	Cc1ccc(-c2ccc(F)cc2C(=O)[O-])cn1
398249941	ZINC000062616439	ref	7.86	-9.62	0	242.322	2.64	0	2	1	CC(C)C(=O)N1CCn2c(cc3ccccc32)C1
178325577	ZINC000059997463	ref	10.85	-4.89	0	218.299	4.815	0	0	1	Cc1ccc(-c2ccc3ccccc3c2)cc1
398249942	ZINC000263754104	ref	0.25	-9.73	0	217.294	-0.381	2	3	2	C[C@H](NC(=O)N1CCSCC1)C(N)=O
398249943	ZINC000336780037	ref	8.78	-41.62	1	239.428	3.298	1	1	3	C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1CCSCC1
398249944	ZINC000286669664	ref	6.1	-9.95	0	204.273	2.15	1	1	4	C=CCN(C)C(=O)c1cc[nH]c1C1CC1
349536112	ZINC000621245380	high	3.88	-4.52	0	296.842	2.273	1	3	7	OCCN1CCN(CCCCc2cccc(Cl)c2)CC1
178325593	ZINC000085471781	ref	5.59	-6.03	0	202.232	2.778	1	2	1	Cc1ccc(-c2ccc(N)nc2)cc1F
178325599	ZINC000085471781	low	6.06	-33.68	1	202.232	2.778	1	1	1	Cc1ccc(-c2ccc(N)[nH+]c2)cc1F
178325602	ZINC000039121101	ref	10.17	-9.07	0	236.314	4.181	0	1	1	Cc1ccc(-c2ccc3c(c2)C(=O)CCC3)cc1
178325608	ZINC000011569635	ref	6.99	-47.2	1	241.334	3.39	1	1	5	Cc1ccc(-c2ccc(OCCC[NH3+])cc2)cc1
178325614	ZINC000001020847	ref	9.2	-8.35	0	219.287	4.21	0	1	1	Cc1ccc(-c2ccc3ccccc3n2)cc1
214201336	ZINC000278511264	ref	8.22	-45.12	1	304.503	3.382	1	2	5	C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CCN1Cc1ccccc1
214201339	ZINC000278511264	mid	10.57	-114.55	2	304.503	3.382	2	1	5	C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1
214201341	ZINC000278511264	mid	11.05	-118.63	2	304.503	3.382	2	1	5	C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1
398249945	ZINC000062619451	ref	4.05	-8.34	0	248.326	1.87	1	3	5	C[C@@H](CC(=O)NC[C@H]1CCCO1)c1cccnc1
342089929	ZINC000121852005	ref	3.44	-43.46	1	297.317	1.427	2	3	5	O[C@H](C[NH+]1CCC(OC[C@H]2CCOC2)CC1)C(F)(F)F
214201343	ZINC000278510066	ref	4.23	-13.39	0	318.352	1.462	0	5	5	CN1CC[C@@H](N(C)Cc2nc(Cc3cccc(F)c3)no2)C1=O
214201346	ZINC000278511260	ref	8.81	-46.5	1	304.503	3.382	1	2	5	C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CCN1Cc1ccccc1
214201349	ZINC000278511260	mid	10.38	-120.39	2	304.503	3.382	2	1	5	C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CC[N@@H+]1Cc1ccccc1
178325623	ZINC000026169730	ref	5.8	-12.02	0	236.274	2.899	1	2	1	Cc1ccc(-c2ccc3[nH]c(=O)ccc3c2)cn1
178325628	ZINC000014628993	ref	7.08	-4.91	0	215.271	3.692	1	1	1	Cc1ccc(-c2ccc(N)c(F)c2)cc1C
342089930	ZINC000121852005	mid	1.19	-5.64	0	297.317	1.427	1	4	5	O[C@H](CN1CCC(OC[C@H]2CCOC2)CC1)C(F)(F)F
282123789	ZINC000121059877	ref	6.86	-45.49	1	347.459	2.261	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCO1
210256296	ZINC000265954884	ref	1.65	-28.93	0	353.444	0.524	3	4	6	CCS(=O)(=O)NCc1ccc(C(=O)N[C@@H]2CCCCNC2=O)cc1
210256300	ZINC000265954400	ref	1.99	-31.38	0	356.386	0.703	3	6	8	COCCNC(=O)Cn1cc(NC(=O)Cc2[nH]nc3ccccc23)cn1
210256303	ZINC000265954400	mid	2.0	-28.6	0	356.386	0.703	3	6	8	COCCNC(=O)Cn1cc(NC(=O)Cc2n[nH]c3ccccc23)cn1
210256307	ZINC000265954033	ref	3.65	-16.07	0	358.372	0.871	0	7	4	COc1cc(C(=O)N2CCS(=O)(=O)[C@@H](C)C2)cc([N+](=O)[O-])c1OC
197610560	ZINC000163084461	ref	5.87	-12.74	0	308.378	2.47	2	4	7	CCC(CC)NC(=O)NCc1ccc(C(=O)OC)c(OC)c1
282123803	ZINC000121059877	high	4.37	-10.2	0	347.459	2.261	1	4	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)CCO1
214201351	ZINC000278511260	mid	10.93	-116.8	2	304.503	3.382	2	1	5	C[C@@H]1C[C@H]([NH2+]C[C@H]2CCSC2)CC[N@H+]1Cc1ccccc1
210256237	ZINC000272862812	ref	9.83	-10.19	0	324.428	2.618	0	4	3	CCc1cc(N2CCN(C(=O)c3ccc(C)cc3)CC2)nc(C)n1
214201354	ZINC000278511744	ref	7.06	-17.79	0	304.35	1.43	1	5	5	CC(C)[C@@H](NC(=O)c1ccco1)C(=O)N(C)c1nccn1C
210256243	ZINC000272862812	mid	10.17	-34.04	1	324.428	2.618	0	3	3	CCc1cc(N2CCN(C(=O)c3ccc(C)cc3)CC2)nc(C)[nH+]1
342089931	ZINC000052013932	ref	3.39	-39.37	1	293.407	1.936	3	3	6	Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@H]1CCCC[C@@H]1O
282123812	ZINC000245419061	ref	6.6	-42.8	1	335.452	1.339	2	4	4	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CCO1
342089932	ZINC000386201075	ref	4.29	-40.13	1	254.374	1.307	2	2	5	CCOCC(C)(C)NC(=O)[C@H]1CC12CC[NH2+]CC2
342089933	ZINC000382010438	ref	4.58	-41.43	1	266.385	1.309	2	2	5	COCC1(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)CCC1
342089934	ZINC000609078133	ref	4.37	-20.48	0	296.331	1.286	2	6	5	CSCCNC(=O)Nc1cc(-n2cnnn2)ccc1F
342089935	ZINC000395417521	ref	5.52	-56.89	1	286.379	1.724	2	3	7	CCCn1ccnc1CNC(=O)c1ccc(CC[NH3+])cc1
342089936	ZINC000395417521	low	6.13	-90.19	2	286.379	1.724	2	2	7	CCCn1cc[nH+]c1CNC(=O)c1ccc(CC[NH3+])cc1
342089937	ZINC000399663614	ref	7.83	-78.74	0	279.336	1.862	1	4	6	COc1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1C(=O)[O-]
342089938	ZINC000399663614	mid	7.82	-74.75	0	279.336	1.862	1	4	6	COc1ccc(C[N@@H+](C)C[C@H]2CCOC2)cc1C(=O)[O-]
214201353	ZINC000053843233	ref	8.16	-27.87	0	328.393	3.19	1	5	3	Cc1occc1C(=O)Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3
214201355	ZINC000053832448	ref	8.16	-38.24	1	328.147	4.061	1	0	5	CC[NH2+][C@H](Cc1cc(Br)ccc1F)CC(F)(F)F
214201358	ZINC000053824302	ref	10.4	-10.91	0	347.488	2.87	0	6	4	Cc1cc2nnc(SCC(=O)N(C)[C@H]3CCCC[C@H]3C)n2c(C)n1
214201361	ZINC000053825511	ref	10.56	-17.72	0	325.412	2.494	0	4	5	Cc1ccc2ncn(CC(=O)N(C3CC3)[C@@H](C)C3CC3)c(=O)c2c1
214201365	ZINC000053837037	ref	4.44	-12.2	0	339.317	1.848	1	3	2	O=C(c1cc2ccccc2c(=O)[nH]1)N1CCN(CC(F)(F)F)CC1
398249946	ZINC000286660955	ref	6.46	-11.59	0	218.3	1.967	0	2	5	C=CCCN(C)C(=O)Cc1cccnc1C
178325586	ZINC000237690324	ref	4.62	-11.49	0	356.344	1.514	1	4	3	O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2COCCN2)CC1
214201373	ZINC000053845895	ref	9.16	-17.71	0	335.407	3.447	2	3	6	CCCCc1ccc(NC(=O)Cc2nc3ccccc3c(=O)[nH]2)cc1
214201377	ZINC000053836006	ref	10.75	-26.4	0	347.375	1.697	1	7	8	Cc1cc(C)c(C)c(OCCCNC(=O)Cn2cnc([N+](=O)[O-])n2)c1
178325588	ZINC000237690324	mid	5.87	-42.95	1	356.344	1.514	1	3	3	O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1
178325591	ZINC000237692338	ref	5.98	-39.16	1	351.397	1.685	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1)[C@H]1CCC[NH2+]1
178325595	ZINC000237699085	ref	4.13	-46.09	1	367.375	1.526	2	4	5	O=C(NCCN1CC[NH2+]CC1)c1ccn(-c2cccc(C(F)(F)F)c2)n1
214201380	ZINC000053844358	ref	4.47	-34.73	0	345.38	1.979	2	6	4	CNC(=O)c1sc2[nH]c(CC(=O)c3ccoc3C)nc(=O)c2c1C
214201384	ZINC000053844358	high	4.04	-51.38	-1	345.38	1.979	1	6	4	CNC(=O)c1sc2[n-]c(CC(=O)c3ccoc3C)nc(=O)c2c1C
214201388	ZINC000053836097	ref	9.04	-15.53	0	338.367	2.135	1	6	3	C[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1nnc2ccccn12
398249947	ZINC000336780046	ref	6.51	-39.74	1	225.307	2.923	1	1	6	CCOc1cccc(C[NH2+]C(C)(C)CF)c1
342603009	ZINC000617005857	mid	4.7	-36.6	1	264.373	1.506	2	3	4	CCn1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1
349536115	ZINC000621498789	ref	8.1	-8.07	0	286.366	3.252	1	1	3	O=C(N[C@H](C(F)F)C1CCCCC1)N1CC[C@H]2C[C@H]2C1
214201394	ZINC000053834777	ref	13.6	-26.32	0	325.328	2.393	0	6	5	CCN(C(=O)Cn1cnc([N+](=O)[O-])n1)c1cccc2ccccc12
398249948	ZINC000336780046	mid	5.29	-3.98	0	225.307	2.923	1	2	6	CCOc1cccc(CNC(C)(C)CF)c1
342089939	ZINC000621366608	ref	6.91	-35.41	1	296.455	1.975	2	2	5	C[C@H]1CC[N@H+](CC(=O)N(C)CC2CCCCC2)C[C@H]1CO
214201357	ZINC000278511525	ref	9.25	-23.7	0	312.329	1.263	1	6	3	CN(C)c1cc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)ncn1
342089940	ZINC000621366608	mid	6.69	-34.93	1	296.455	1.975	2	2	5	C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CCCCC2)C[C@H]1CO
342089941	ZINC000621366608	mid	4.49	-9.38	0	296.455	1.975	1	3	5	C[C@H]1CCN(CC(=O)N(C)CC2CCCCC2)C[C@H]1CO
365650702	ZINC000623091030	mid	2.77	-39.38	1	306.435	1.561	2	5	8	CN(CC[N@@H+](C)CCO)Cc1cnc(-c2ccccn2)s1
365650706	ZINC000623091030	high	0.34	-8.83	0	306.435	1.561	1	6	8	CN(CCO)CCN(C)Cc1cnc(-c2ccccn2)s1
342089942	ZINC000621366606	ref	6.7	-34.89	1	296.455	1.975	2	2	5	C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CCCCC2)C[C@@H]1CO
342089943	ZINC000621366606	mid	6.93	-35.48	1	296.455	1.975	2	2	5	C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CCCCC2)C[C@@H]1CO
342089944	ZINC000621366606	mid	4.14	-7.3	0	296.455	1.975	1	3	5	C[C@@H]1CCN(CC(=O)N(C)CC2CCCCC2)C[C@@H]1CO
342089945	ZINC000121841257	ref	2.49	-12.86	0	279.34	1.707	2	4	6	Cc1cnccc1NC(=O)NCCOC[C@@H]1CCCO1
342089946	ZINC000121841257	low	2.94	-36.51	1	279.34	1.707	2	3	6	Cc1c[nH+]ccc1NC(=O)NCCOC[C@@H]1CCCO1
214201360	ZINC000278509783	ref	4.87	-17.1	0	316.317	1.868	2	6	5	COc1cc(OC)c(C(=O)Nc2n[nH]c(C)c2C#N)cc1OC
342089947	ZINC000600317982	ref	7.3	-11.25	0	299.33	1.777	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1cnc(-c2ccccc2)nc1
214201363	ZINC000278511668	ref	3.52	-48.34	1	312.801	1.654	3	3	3	C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnc(Cl)c2)[C@H](C)C1
342089948	ZINC000121851503	ref	3.42	-42.68	1	297.317	1.427	2	3	5	O[C@@H](C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)C(F)(F)F
214201367	ZINC000278511668	mid	3.86	-49.05	1	312.801	1.654	3	3	3	C[C@@H](O)C[N@H+]1CCN(C(=O)Nc2ccnc(Cl)c2)[C@H](C)C1
342089949	ZINC000121851503	mid	1.09	-5.39	0	297.317	1.427	1	4	5	O[C@@H](CN1CCC(OC[C@@H]2CCOC2)CC1)C(F)(F)F
342089950	ZINC000395358083	ref	3.74	-42.88	1	268.401	1.386	2	2	2	CC1(C)C[C@H](O)CCN(C(=O)CC2CC[NH2+]CC2)C1
342089951	ZINC000121840171	ref	1.46	-8.13	0	268.288	1.63	3	3	4	CC(=O)N[C@@H](C(=O)Nc1ccc(O)cc1F)C(C)C
342089952	ZINC000121840171	high	2.43	-44.16	-1	268.288	1.63	2	3	4	CC(=O)N[C@@H](C(=O)Nc1ccc([O-])cc1F)C(C)C
342089953	ZINC000621367097	ref	0.62	-7.46	0	293.289	1.625	1	5	4	C[C@@H]1CCN(Cc2nc(CC(F)(F)F)no2)C[C@H]1CO
342089954	ZINC000621367097	mid	2.12	-40.69	1	293.289	1.625	2	4	4	C[C@@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)C[C@H]1CO
342603010	ZINC000617005857	high	2.81	-10.68	0	264.373	1.506	1	4	4	CCn1ccc(C(=O)NC[C@H]2CCN2C(C)(C)C)n1
342603011	ZINC000617005978	ref	2.96	-38.03	1	284.4	1.171	2	3	5	CCO[C@@]1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOC1
210256250	ZINC000272862055	ref	8.41	-10.07	0	301.39	3.343	2	3	4	CC(C)[C@@H]1C[C@@H](CC(=O)Nc2nc3ccccc3[nH]2)CCO1
282123793	ZINC000344613090	ref	2.45	-10.63	0	296.333	2.425	3	2	7	CCC(CC)(CO)CNC(=O)N[C@H](C1CC1)C(F)(F)F
210256255	ZINC000272862369	ref	6.9	-42.13	1	323.437	2.481	2	3	6	COCC[C@H](NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccco1
342603012	ZINC000617005978	mid	4.21	-37.7	1	284.4	1.171	2	3	5	CCO[C@@]1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOC1
210256259	ZINC000272862369	mid	6.72	-43.45	1	323.437	2.481	2	3	6	COCC[C@H](NC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1
342603013	ZINC000617005978	high	1.32	-6.36	0	284.4	1.171	1	4	5	CCO[C@@]1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOC1
210256264	ZINC000272862369	high	4.6	-9.49	0	323.437	2.481	1	4	6	COCC[C@H](NC(=O)N(C)[C@@H]1CCN(C)[C@@H](C)C1)c1ccco1
210256268	ZINC000272862380	ref	5.81	-18.51	0	302.374	1.75	2	3	4	Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c(O)c1C
210256275	ZINC000272862380	high	6.81	-63.74	-1	302.374	1.75	1	3	4	Cc1ccc(C(=O)NC[C@H]2CC(=O)N(C3CC3)C2)c([O-])c1C
197610582	ZINC000163089280	ref	4.33	-12.88	0	302.193	2.251	1	3	3	NC(=S)c1cc(Br)ccc1O[C@@H]1CCOC1
210256280	ZINC000272863019	ref	3.16	-11.92	0	319.361	0.215	2	4	2	CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C)CCO1
210256286	ZINC000272862048	ref	8.62	-10.39	0	301.39	3.343	2	3	4	CC(C)[C@@H]1C[C@H](CC(=O)Nc2nc3ccccc3[nH]2)CCO1
197610584	ZINC000163077519	ref	7.11	-13.73	0	323.393	2.101	1	6	9	C=CCCO[C@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)OCC)c1
197610586	ZINC000163083206	ref	6.55	-57.61	-1	302.44	2.461	2	4	6	CCC1CCC(NC(=O)NC[C@H](C)SC)(C(=O)[O-])CC1
210256291	ZINC000272862797	ref	8.36	-8.66	0	313.426	3.159	1	4	4	C[C@]1(CNC(=O)c2cncnc2-c2ccccc2)CCCS1
197610588	ZINC000163089340	ref	6.09	-17.05	0	314.385	2.803	0	4	4	COc1ccc2nc(C)cc(C(=O)N(C)C[C@H]3CCCO3)c2c1
210256297	ZINC000272862688	ref	6.65	-10.31	0	319.445	3.2	1	3	7	COc1ccc([C@@H](C)CC(=O)N2CCC(CCCO)CC2)cc1
342603014	ZINC000197496615	ref	5.73	-7.9	0	271.407	1.986	0	3	3	CCc1ccc(S(=O)(=O)N2CCSCC2)cc1
210256309	ZINC000272862205	ref	5.88	-36.54	1	303.362	3.27	2	4	6	Cc1cc(NC[C@H](C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1
282123794	ZINC000449156687	ref	5.18	-11.56	0	296.374	2.381	2	4	3	Nc1ccc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)nc1
282123805	ZINC000449156423	ref	3.36	-38.36	1	273.336	2.042	1	4	7	COc1nccnc1C[NH2+]C[C@@H](C)Oc1ccccc1
290624434	ZINC000492259121	ref	1.86	-17.65	0	342.355	1.042	1	6	4	CNC(=O)c1ccc(/C=C\C(=O)N2CCOC[C@H]2c2ncon2)cc1
342603015	ZINC000617006206	ref	4.08	-43.31	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CCOC1
342603016	ZINC000617006206	mid	5.18	-42.68	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)[C@H]1CCOC1
306234766	ZINC000557930435	high	2.69	-56.96	-1	347.415	1.029	2	4	6	CNC(=O)CC[C@H]1CCCCN1C(=O)CNC(=O)c1ccc([O-])cc1
342603017	ZINC000617006206	high	2.13	-11.55	0	284.4	1.027	1	4	5	CO[C@H](C(=O)NC[C@@H]1CCN1C(C)(C)C)[C@H]1CCOC1
342603018	ZINC000617005965	ref	3.82	-38.06	1	294.403	1.031	2	5	3	CC(C)(C)n1nnc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1
365650703	ZINC000173004485	ref	2.64	-8.05	0	286.397	1.526	1	3	5	CCS(=O)(=O)N(Cc1ccco1)C1CC[NH+](C)CC1
290624436	ZINC000491225285	ref	8.37	-15.97	0	320.392	3.033	1	2	4	CNC(=O)c1ccc(/C=C\C(=O)N2CC[C@H]2c2ccccc2)cc1
222609591	ZINC000291778541	ref	7.25	-9.79	0	301.724	3.244	1	2	1	C[C@@]12CCN(C(=O)Nc3ccc(Cl)cn3)C[C@@H]1C2(F)F
306234767	ZINC000557934673	ref	1.63	-17.56	0	347.481	1.059	2	4	6	CS(=O)(=O)N1CCCC[C@H]1CNC(=O)NCC[C@H]1CCCCO1
342603019	ZINC000617005965	mid	5.05	-37.66	1	294.403	1.031	2	5	3	CC(C)(C)n1nnc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1
214201372	ZINC000337658166	ref	3.86	-7.7	0	263.328	2.193	2	2	5	CC(C)[C@@H](CO)C(=O)NC[C@@H]1CCCC(F)(F)C1
398249949	ZINC000286665059	ref	4.93	-7.78	0	208.305	2.055	2	1	8	C#CCNC(=O)NCCCCCCC=C
214201378	ZINC000337659122	ref	6.54	-16.27	0	254.334	0.845	1	5	8	CCO[C@H](CC(=O)NCCn1cncn1)C(C)C
185386285	ZINC000096749102	ref	4.02	-14.76	0	302.277	3.423	1	4	3	COc1ccc(NC(=O)c2scnc2C(F)(F)F)cc1
192340770	ZINC000421454451	ref	7.6	-6.82	0	247.313	2.878	1	1	3	O=C(NCc1ccc(F)cc1)[C@@H]1CC[C@@H]2C[C@@H]2C1
342603020	ZINC000617005965	mid	2.27	-9.44	0	294.403	1.031	1	6	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1nnn(C(C)(C)C)n1
342603021	ZINC000617006207	ref	4.69	-39.58	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CCOC1
214201381	ZINC000337660615	ref	6.35	-12.09	0	263.345	0.213	0	6	2	Cn1c(C2CC2)nnc1N1CCN2CCOC[C@H]2C1
342603022	ZINC000617006207	mid	4.12	-39.38	1	284.4	1.027	2	3	5	CO[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)[C@@H]1CCOC1
342603023	ZINC000617006207	high	2.17	-8.25	0	284.4	1.027	1	4	5	CO[C@H](C(=O)NC[C@H]1CCN1C(C)(C)C)[C@@H]1CCOC1
214201368	ZINC000278511668	mid	1.15	-8.23	0	312.801	1.654	2	4	3	C[C@@H](O)CN1CCN(C(=O)Nc2ccnc(Cl)c2)[C@H](C)C1
214201371	ZINC000278511070	ref	8.0	-42.73	1	307.459	3.005	1	3	6	Cc1ccc(C[NH2+]C[C@@H]2CCSC2)c(O[C@@H]2CCOC2)c1
214201374	ZINC000278510702	ref	6.17	-10.35	0	306.793	3.285	2	2	2	Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCOC[C@@H]1C
214201376	ZINC000278511532	ref	7.92	-21.25	0	302.334	1.569	1	6	6	COc1ccccc1OCC(=O)Nc1cc(N(C)C)ncn1
214201379	ZINC000278510178	ref	8.83	-40.98	1	304.463	3.11	1	4	4	Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)s1
214201382	ZINC000278509896	ref	6.46	-6.56	0	303.406	2.8	1	5	4	C[C@H]1CN(c2ccc(NC[C@H]3CCC=CO3)cn2)C[C@@H](C)O1
214201385	ZINC000278509896	low	6.8	-29.78	1	303.406	2.8	1	4	4	C[C@H]1CN(c2ccc(NC[C@H]3CCC=CO3)c[nH+]2)C[C@@H](C)O1
214201386	ZINC000278510038	ref	8.57	-14.87	0	312.373	1.889	1	5	4	C[C@H]1CC(=O)CC[C@@H]1C(=O)NCc1ncnn1-c1ccccc1
214201391	ZINC000278511258	ref	8.79	-45.13	1	304.503	3.382	1	2	5	C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CCN1Cc1ccccc1
214201393	ZINC000278511258	mid	10.36	-119.61	2	304.503	3.382	2	1	5	C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC[N@@H+]1Cc1ccccc1
214201396	ZINC000278511258	mid	10.91	-115.4	2	304.503	3.382	2	1	5	C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCSC2)CC[N@H+]1Cc1ccccc1
214201399	ZINC000278510604	ref	7.13	-9.23	0	304.398	1.949	2	7	4	CC(C)O[C@@H]1C[C@@H](Nc2nc(N)c3cnn(C)c3n2)C1(C)C
178325598	ZINC000237690278	ref	6.83	-55.65	1	356.344	1.514	1	3	3	O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1
178325600	ZINC000237690278	mid	5.45	-13.55	0	356.344	1.514	1	4	3	O=C(c1c(F)cc(F)cc1F)C1CCN(C(=O)[C@@H]2CNCCO2)CC1
214201400	ZINC000278510604	low	7.48	-34.08	1	304.398	1.949	2	6	4	CC(C)O[C@@H]1C[C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1(C)C
214201404	ZINC000278510508	ref	3.06	-16.68	0	316.357	1.157	3	4	6	C=C[C@@](C)(O)CC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1
178325603	ZINC000237692883	ref	3.97	-16.5	0	364.221	1.34	1	5	3	C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CCN1
214201407	ZINC000278510923	ref	5.13	-9.67	0	317.364	3.173	0	5	4	Cc1nc([C@H](C)N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)no1
178325605	ZINC000237692883	mid	5.22	-57.32	1	364.221	1.34	1	4	3	C[C@H]1CN(S(=O)(=O)c2cc(Br)ccc2[N+](=O)[O-])CC[NH2+]1
323005555	ZINC000561693249	ref	4.32	-12.39	0	221.247	1.571	1	2	5	CC[C@@](C)(OC)C(=O)N[C@H]1C[C@@H]1C(F)F
222609589	ZINC000125794731	ref	6.37	-17.65	0	343.387	1.264	1	6	4	COCc1cccc(NC(=O)C(=O)N2CCC[C@@H]2c2nncn2C)c1
178325607	ZINC000237698309	ref	8.43	-60.91	1	359.47	1.74	1	3	4	Cc1cc(C(=O)N2CC[NH2+]CC2)cc(C)c1OCC(=O)N1CCCCC1
178325609	ZINC000237698309	mid	7.13	-15.63	0	359.47	1.74	1	4	4	Cc1cc(C(=O)N2CCNCC2)cc(C)c1OCC(=O)N1CCCCC1
178325612	ZINC000237687387	ref	3.86	-53.32	1	369.412	1.832	2	3	6	Cc1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc(C)c1OC(F)F
178325615	ZINC000237705606	ref	3.42	-54.73	-1	367.427	1.432	1	7	7	Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)N2CCCC2)cc1C(=O)[O-]
178325617	ZINC000237705606	mid	5.57	-65.34	0	367.427	1.432	2	6	7	Cn1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cc1C(=O)[O-]
178325618	ZINC000237700882	ref	4.66	-18.43	0	359.405	1.737	2	6	3	O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)[C@H]1COCCN1
178325621	ZINC000237700882	low	6.07	-46.16	1	359.405	1.737	2	5	3	O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)[C@H]1COCC[NH2+]1
178325624	ZINC000237685785	ref	5.78	-47.82	-1	355.188	1.311	1	4	4	Cc1cc(N2C[C@@H](C(=O)NCC(=O)[O-])CC2=O)ccc1Br
178325627	ZINC000237696651	ref	5.9	-46.44	1	372.513	1.479	1	3	5	C[C@@H](C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H]([NH3+])c1ccccc1
178325631	ZINC000237696651	high	5.56	-14.48	0	372.513	1.479	1	4	5	C[C@@H](C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)[C@H](N)c1ccccc1
178325634	ZINC000237688041	ref	8.43	-57.73	-1	359.426	1.792	1	6	9	Cc1nn(C)c(C)c1CCC(=O)NCCc1ccc(OCC(=O)[O-])cc1
136230308	ZINC000295638895	ref	7.07	-18.22	0	247.298	1.124	1	4	5	C#CCO[C@@H](C)C(=O)Nc1cccc(N(C)C)n1
136230309	ZINC000295632967	ref	5.38	-8.67	0	209.289	1.636	0	2	2	C=CC(C)(C)C(=O)N1CCC(=O)[C@H](C)C1
136230310	ZINC000295635168	ref	6.42	-15.99	0	227.279	1.375	0	2	3	C#CCO[C@@H](C)C(=O)N1CCC[C@](C)(F)C1
178325638	ZINC000237702394	ref	3.86	-54.22	1	355.442	1.312	3	3	5	Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)[nH]n2)cc1
178325644	ZINC000237702394	mid	4.03	-52.32	1	355.442	1.312	3	3	5	Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)n[nH]2)cc1
282123795	ZINC000279043853	ref	7.1	-21.75	0	322.771	2.432	1	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(C)c(Cl)c1F)CC2
133429146	ZINC000306557702	ref	5.91	-14.76	0	178.195	-0.114	0	5	2	Cn1ncn(CC2(C#N)CC2)c1=O
136230311	ZINC000295488291	ref	6.73	-46.83	1	224.304	0.788	2	2	4	C#CC[NH+]1CCC(C(=O)NOC(C)C)CC1
342603024	ZINC000617005835	ref	4.59	-45.94	1	294.399	1.169	2	4	5	COCc1nn(C)cc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342603025	ZINC000617005835	mid	3.46	-46.41	1	294.399	1.169	2	4	5	COCc1nn(C)cc1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603026	ZINC000617005835	high	1.53	-14.49	0	294.399	1.169	1	5	5	COCc1nn(C)cc1C(=O)NC[C@H]1CCN1C(C)(C)C
342603027	ZINC000590878537	ref	4.05	-7.4	0	298.339	1.33	1	6	5	COC(=O)c1cc(C(=O)N(C)[C@H](CO)CC(C)(C)C)on1
342603028	ZINC000617006163	ref	4.25	-40.59	1	295.383	1.605	2	4	6	COc1cc(CCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)on1
342603029	ZINC000617006163	mid	3.12	-40.77	1	295.383	1.605	2	4	6	COc1cc(CCC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)on1
342603030	ZINC000617006163	high	1.23	-9.13	0	295.383	1.605	1	5	6	COc1cc(CCC(=O)NC[C@H]2CCN2C(C)(C)C)on1
349536117	ZINC000594970048	ref	7.27	-47.78	1	255.365	2.693	1	2	5	C=CCC[NH2+]C1CCN(c2ccc(C#N)cc2)CC1
365650708	ZINC000641614931	mid	7.93	-12.89	0	280.335	1.968	2	5	4	Cc1nc(NCc2n[nH]c(C3CC3)n2)nc2ccccc12
342603031	ZINC000617006164	ref	3.12	-40.84	1	295.383	1.605	2	4	6	COc1cc(CCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)on1
365650715	ZINC000641615325	ref	7.35	-6.27	0	257.337	1.877	1	4	6	CO[C@@H](CNc1ncncc1C)Cc1ccccc1
342603032	ZINC000617006164	mid	4.37	-40.34	1	295.383	1.605	2	4	6	COc1cc(CCC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)on1
222609601	ZINC000283768144	ref	6.45	-37.08	1	321.421	1.925	3	3	8	COCC1(CNC(=[NH2+])NCc2ccc(OC)c(OC)c2)CCC1
282123796	ZINC000248982488	ref	5.55	-39.99	1	310.825	1.701	3	2	6	C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)[C@H]1CO
282123801	ZINC000248982488	mid	5.02	-40.72	1	310.825	1.701	3	2	6	C[C@@H]1CC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)[C@H]1CO
197610598	ZINC000290145668	ref	9.87	-10.87	0	272.352	2.301	0	5	5	COc1ccccc1CN(c1nnc(C)n1C)C1CC1
342603033	ZINC000617006164	high	1.34	-9.35	0	295.383	1.605	1	5	6	COc1cc(CCC(=O)NC[C@@H]2CCN2C(C)(C)C)on1
342603034	ZINC000617005791	ref	6.46	-43.42	1	295.427	1.234	2	2	5	CCCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1=O
342603035	ZINC000617005791	mid	5.38	-44.32	1	295.427	1.234	2	2	5	CCCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CC1=O
212173479	ZINC000335496328	ref	0.26	-26.47	0	275.299	-0.032	2	3	1	C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CCNCC1(F)F
212173487	ZINC000335496328	mid	1.6	-70.77	1	275.299	-0.032	2	2	1	C[C@H]1C(=O)NCCCN1C(=O)[C@H]1CC[NH2+]CC1(F)F
342603036	ZINC000617005791	high	3.46	-11.19	0	295.427	1.234	1	3	5	CCCN1C[C@@H](C(=O)NC[C@H]2CCN2C(C)(C)C)CC1=O
210256316	ZINC000272862205	high	5.5	-8.7	0	303.362	3.27	2	5	6	Cc1cc(NC[C@H](C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2n1
343995685	ZINC000599277671	mid	7.35	-50.81	1	270.373	1.32	2	3	7	CCC(=O)N[C@@H]1CCC[N@@H+](CCCCC(=O)OC)C1
349536118	ZINC000621246218	ref	4.98	-37.79	1	275.352	2.245	1	4	7	C[NH2+][C@H](C)Cc1noc(COCc2ccc(C)cc2)n1
282123799	ZINC000305287276	ref	2.59	-10.28	0	310.438	2.042	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2
342089955	ZINC000621367097	mid	2.89	-42.4	1	293.289	1.625	2	4	4	C[C@@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)C[C@H]1CO
342089956	ZINC000052013903	ref	2.43	-40.75	1	279.38	1.628	3	3	6	Cc1cccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1
342089957	ZINC000609077381	ref	5.19	-18.68	0	291.38	1.128	1	6	6	CSCCNC(=O)Cn1nnc(-c2ccc(C)cc2)n1
210256320	ZINC000272863654	ref	6.88	-46.0	1	311.426	1.525	3	3	7	CCOC(=O)C[C@H](C)CNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1
210256325	ZINC000272863654	mid	6.95	-45.85	1	311.426	1.525	3	3	7	CCOC(=O)C[C@H](C)CNC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1
342089958	ZINC000395404351	ref	1.48	-12.38	0	283.397	1.487	2	5	1	Cc1nc(N)sc1C(=O)N1CC[C@@H](O)CC(C)(C)C1
342089959	ZINC000624051251	ref	1.49	-6.77	0	292.383	1.176	0	6	5	CCCOc1nccnc1N1CCN([C@H]2CCOC2)CC1
342089960	ZINC000624051251	low	3.66	-39.42	1	292.383	1.176	1	5	5	CCCOc1nccnc1N1CC[NH+]([C@H]2CCOC2)CC1
342089961	ZINC000395358085	ref	3.74	-43.78	1	268.401	1.386	2	2	2	CC1(C)C[C@@H](O)CCN(C(=O)CC2CC[NH2+]CC2)C1
342089962	ZINC000600317976	ref	8.3	-18.23	0	289.335	1.205	0	5	4	COC(=O)[C@H](C)N(C)C(=O)Cc1cn2cccc(C)c2n1
342089963	ZINC000600317976	low	8.58	-32.27	1	289.335	1.205	0	4	4	COC(=O)[C@H](C)N(C)C(=O)Cc1cn2cccc(C)c2[nH+]1
214201383	ZINC000337660615	mid	8.59	-44.46	1	263.345	0.213	1	5	2	Cn1c(C2CC2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1
214201387	ZINC000337660615	mid	8.21	-43.06	1	263.345	0.213	1	5	2	Cn1c(C2CC2)nnc1N1CC[N@H+]2CCOC[C@H]2C1
342089964	ZINC000600317738	ref	4.66	-23.53	0	283.349	1.057	0	4	4	COC(=O)[C@H](C)N(C)C(=O)c1ccc([S@@](C)=O)cc1
342089965	ZINC000600317765	ref	5.71	-10.07	0	266.322	1.863	1	4	3	COC(=O)[C@H](C)N(C)C(=O)c1cc2ccsc2[nH]1
192340773	ZINC000421452982	ref	7.64	-7.25	0	209.333	2.681	0	1	4	CC[C@H](C)CN(C)C(=O)[C@@]12CCC[C@@H]1C2
210256329	ZINC000272863654	high	4.45	-9.88	0	311.426	1.525	2	4	7	CCOC(=O)C[C@H](C)CNC(=O)N[C@H](C)C1=CCN(C)CC1
342089966	ZINC000121851979	ref	6.47	-14.57	0	294.362	1.992	1	5	3	Cc1cccc(-c2n[nH]cc2CN2CCn3cnnc3C2)c1
214201389	ZINC000337657942	ref	6.18	-8.02	0	279.262	2.43	2	3	6	CC(C)COCCC(=O)Nc1nc(C(F)(F)F)c[nH]1
214201392	ZINC000337657942	mid	6.1	-6.73	0	279.262	2.43	2	3	6	CC(C)COCCC(=O)Nc1ncc(C(F)(F)F)[nH]1
214201395	ZINC000337658755	ref	8.21	-12.09	0	289.423	3.09	1	2	3	C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccncc2)C[C@H](C)C1
342603037	ZINC000617005915	ref	5.49	-42.99	1	295.427	1.446	3	2	6	C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
282123800	ZINC000151697361	low	6.69	-39.19	1	309.498	2.345	2	2	5	C[C@H](CNC(=O)C[C@H]1CCCC(C)(C)C1)[NH+]1CCN(C)CC1
398253933	ZINC000220153299	ref	0.01	-6.36	0	211.208	1.137	2	3	3	CC(C)(C)OC(=O)N[C@@H](CO)C(F)F
214201403	ZINC000337659170	ref	12.15	-11.05	0	284.407	3.107	0	4	3	CC(C)c1nnc(N2CC[C@@](C)(c3ccccc3)C2)n1C
342603038	ZINC000617005915	mid	6.73	-43.65	1	295.427	1.446	3	2	6	C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342603039	ZINC000617005915	high	3.7	-13.79	0	295.427	1.446	2	3	6	C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@@H]1CCN1C(C)(C)C
214201405	ZINC000337658111	ref	4.17	-9.89	0	291.351	0.754	1	5	4	COC(=O)[C@@H](C)CC(=O)N1CCN[C@H](c2ccncc2)C1
259310073	ZINC000526045438	ref	5.51	-45.83	1	245.29	-0.196	1	6	1	c1cn2nnnc2c(N2CC[NH+]3CCC2CC3)n1
342609863	ZINC000590927747	ref	6.39	-42.79	1	289.423	1.849	1	3	5	CCCn1c(C)cc(C(=O)CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1C
342609864	ZINC000590928966	ref	4.95	-20.34	0	290.404	1.82	1	2	3	CC[S@](=O)[C@H]1CCC[C@H](NC(=O)N2CC[C@H](F)C2)C1
214201408	ZINC000337658111	low	5.43	-53.71	1	291.351	0.754	1	4	4	COC(=O)[C@@H](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1
342609865	ZINC000617021775	ref	4.47	-44.89	1	263.341	1.39	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1
214201412	ZINC000337658523	ref	4.6	-7.51	0	258.243	2.423	2	1	4	O=C(NCc1cccc(F)c1)NC1(C(F)F)CC1
214201414	ZINC000337658115	ref	4.31	-16.47	0	267.333	-0.055	2	5	5	C[C@H](NC(=O)C(C)(C)C)C(=O)NCCn1cncn1
178325632	ZINC000070458877	ref	5.26	-16.67	0	226.239	1.393	1	4	1	Cc1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1
342609866	ZINC000617021775	mid	0.76	-12.72	0	263.341	1.39	3	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1
342609867	ZINC000617021775	high	0.76	-12.72	0	263.341	1.39	2	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(=O)[nH]c1
214201416	ZINC000337658344	ref	2.05	-15.46	0	271.342	0.387	2	5	6	CNC(=O)CNC(=O)CSCc1c(C)noc1C
230239751	ZINC000343208933	mid	-1.77	-60.42	-1	280.284	-1.231	3	5	6	CNC(=O)CCNC(=O)CNC(=O)c1ncccc1[O-]
342609868	ZINC000590927900	ref	7.17	-11.03	0	298.408	1.619	1	4	3	COC(=O)C1(CNC(=O)N2C[C@@H]3C[C@H]2CS3)CCCC1
365650710	ZINC000173004485	mid	2.64	-8.05	0	286.397	1.526	0	4	5	CCS(=O)(=O)N(Cc1ccco1)C1CCN(C)CC1
365650719	ZINC000173011689	ref	3.9	-14.42	0	292.364	1.263	1	5	4	C[C@@H](NC(=O)c1cccs1)C(=O)N(C)c1cnn(C)c1
365650731	ZINC000173009354	ref	2.66	-14.57	0	282.365	1.788	2	3	5	CC(=O)Nc1cccc([C@H](C)NS(=O)(=O)C2CC2)c1
342089967	ZINC000121851979	low	9.42	-60.03	1	294.362	1.992	2	4	3	Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCn3cnnc3C2)c1
365650741	ZINC000173011789	ref	6.04	-19.78	0	292.383	1.386	1	4	5	CCC(CC)C(=O)N[C@H]1CCN(c2cc(C)nn2C)C1=O
398249950	ZINC000286710226	ref	5.85	-35.95	1	249.354	1.657	2	2	8	CC[N@H+](CCOCCO)C[C@H]1Cc2ccccc21
398249951	ZINC000286710226	mid	5.83	-36.52	1	249.354	1.657	2	2	8	CC[N@@H+](CCOCCO)C[C@H]1Cc2ccccc21
342089968	ZINC000121851979	low	9.55	-57.56	1	294.362	1.992	2	4	3	Cc1cccc(-c2n[nH]cc2C[N@H+]2CCn3cnnc3C2)c1
342089969	ZINC000052013866	ref	1.82	-43.75	1	283.343	1.458	3	3	6	O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1F
222609607	ZINC000125793763	ref	6.57	-10.94	0	330.417	2.178	2	7	7	CCOCCSc1nnc(-c2cc(-c3ccccc3)n[nH]2)n1N
222609611	ZINC000125793763	mid	6.53	-11.03	0	330.417	2.178	2	7	7	CCOCCSc1nnc(-c2cc(-c3ccccc3)[nH]n2)n1N
214201398	ZINC000053845031	ref	2.81	-8.91	0	331.338	1.814	1	4	5	COc1ccccc1NC(=O)CN1CCN(CC(F)(F)F)CC1
214201406	ZINC000053831348	ref	8.32	-41.62	1	340.286	3.892	1	2	6	C[NH2+][C@H](Cc1cccc(OC)c1)Cc1sccc1Br
342089970	ZINC000600317961	ref	8.22	-13.54	0	299.33	1.798	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1cc2ccccc2n1CC#N
342089971	ZINC000121840009	ref	1.42	-8.21	0	268.288	1.63	3	3	4	CC(=O)N[C@H](C(=O)Nc1ccc(O)cc1F)C(C)C
342089972	ZINC000121840009	high	2.15	-43.34	-1	268.288	1.63	2	3	4	CC(=O)N[C@H](C(=O)Nc1ccc([O-])cc1F)C(C)C
342089973	ZINC000131945582	ref	2.24	-14.39	0	277.349	1.306	1	4	5	Cc1ccc(CCNS(=O)(=O)c2ccccn2)cn1
342089974	ZINC000131945582	high	1.84	-50.45	-1	277.349	1.306	0	4	5	Cc1ccc(CC[N-]S(=O)(=O)c2ccccn2)cn1
342089975	ZINC000394073973	ref	7.06	-41.61	1	270.442	1.978	1	2	4	CSC[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1
342089976	ZINC000609077533	ref	3.16	-21.6	0	296.392	1.3	3	4	7	CSCCNC(=O)CCNC(=O)c1ccc(C)cc1O
342089977	ZINC000609077533	high	4.17	-69.14	-1	296.392	1.3	2	4	7	CSCCNC(=O)CCNC(=O)c1ccc(C)cc1[O-]
342089978	ZINC000395442885	ref	2.25	-10.17	0	269.37	1.179	2	5	1	CC1(C)C[C@@H](O)CCN(C(=O)c2csc(N)n2)C1
342089979	ZINC000391586064	ref	5.49	-12.95	0	289.379	1.859	2	3	6	CCCNc1ccccc1C(=O)N[C@H]1CC(=O)N(CC)C1
342089980	ZINC000600317951	ref	7.7	-11.25	0	271.357	1.602	0	4	5	COC(=O)[C@H](C)N(C)C(=O)CO[C@@H]1CCC[C@H](C)C1
398249952	ZINC000183638552	ref	4.44	-41.18	1	232.327	1.775	2	1	4	CC(C)(C[NH2+][C@H]1CCc2ccccc21)C(N)=O
214201410	ZINC000278510915	ref	2.03	-11.5	0	306.362	1.404	1	5	4	C[C@@H]1COCC[C@H]1NC(=O)c1ccnc(O[C@H]2CCOC2)c1
214201413	ZINC000278510534	ref	2.55	-16.57	0	312.316	1.138	3	3	7	C=C[C@@](C)(O)CC(=O)NCCNC(=O)c1c(F)cccc1F
210256336	ZINC000272862414	ref	5.24	-8.53	0	308.426	2.548	1	4	2	Cc1n[nH]cc1CN1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C
214201417	ZINC000278511674	ref	3.76	-49.09	1	312.801	1.654	3	3	3	C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnc(Cl)c2)[C@@H](C)C1
398249954	ZINC000336780040	ref	8.07	-43.14	1	239.359	2.975	1	1	3	Cc1ccc(F)cc1C[NH2+][C@H]1CSC[C@@H]1C
178325648	ZINC000038069432	ref	8.46	-4.82	0	223.319	3.733	1	1	1	Cc1ccc(-c2ccc3c(c2)CCC3)cc1N
398249955	ZINC000129579273	ref	5.11	-3.17	0	241.132	3.199	1	2	2	Brc1cnccc1NC1CCCC1
214201419	ZINC000278511674	mid	3.51	-48.13	1	312.801	1.654	3	3	3	C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccnc(Cl)c2)[C@@H](C)C1
210256341	ZINC000272862414	low	7.1	-44.04	1	308.426	2.548	2	3	2	Cc1n[nH]cc1C[N@H+]1C[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H]1C
178325654	ZINC000065341788	ref	7.56	-7.85	0	226.275	3.489	1	2	2	Cc1ccc(-c2ccc(O)c(C=O)c2)c(C)c1
178325656	ZINC000065341788	high	8.57	-49.84	-1	226.275	3.489	0	2	2	Cc1ccc(-c2ccc([O-])c(C=O)c2)c(C)c1
210256137	ZINC000000641053	ref	7.74	-9.64	0	355.029	4.464	1	1	2	O=C(Nc1ccc(Br)cc1)c1cccc(Br)c1
210256302	ZINC000272862185	ref	3.57	-15.17	0	310.422	2.223	1	7	6	CS[C@H](C)CNc1sc(S(C)(=O)=O)cc1[N+](=O)[O-]
178325660	ZINC000016947254	ref	6.12	-11.7	0	246.331	3.066	0	2	2	Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1
178325666	ZINC000041279194	ref	9.23	-4.16	0	237.346	4.329	1	1	1	Cc1ccc(-c2ccc3c(c2)CCCN3)c(C)c1
178325669	ZINC000065355585	ref	6.14	-56.45	-1	228.251	2.337	1	4	2	Cc1ccc(-c2ccc(N)nc2C(=O)[O-])cc1
133429149	ZINC000306548404	ref	6.94	-38.7	1	193.212	2.591	1	0	2	C=C1CC[NH+](CCC(F)(F)F)CC1
222609602	ZINC000291778801	ref	5.69	-8.29	0	307.39	2.041	2	4	6	CCOC(=O)[C@H](NC(=O)[C@@H](O)C(C)C)c1cccc(C)c1C
342089981	ZINC000600317952	ref	7.8	-11.4	0	271.357	1.602	0	4	5	COC(=O)[C@H](C)N(C)C(=O)CO[C@H]1CCC[C@H](C)C1
342089982	ZINC000621367098	ref	0.19	-7.25	0	293.289	1.625	1	5	4	C[C@H]1CCN(Cc2nc(CC(F)(F)F)no2)C[C@@H]1CO
197610610	ZINC000163089028	ref	8.37	-9.23	0	319.47	3.07	1	3	5	C[C@H](CSCc1ccccc1)C(=O)N1[C@H]2CC[C@@H]1CC(O)C2
342603040	ZINC000617006714	ref	6.6	-40.89	1	254.374	1.4	2	2	3	C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
197610615	ZINC000163089795	ref	2.24	-40.19	1	318.295	1.266	2	3	4	CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1
342603041	ZINC000617006714	mid	5.35	-40.92	1	254.374	1.4	2	2	3	C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603042	ZINC000617006714	high	3.59	-11.14	0	254.374	1.4	1	3	3	C[C@@H]1CCO[C@@H]1C(=O)NC[C@H]1CCN1C(C)(C)C
197610622	ZINC000163088058	ref	6.98	-9.9	0	307.415	2.681	0	4	5	COc1cc(/C=C/C(=O)N(C)[C@H]2CCSC2)cc(OC)c1
342603043	ZINC000617006649	ref	5.15	-34.03	1	268.401	1.792	2	2	5	COCC1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCC1
342603044	ZINC000617006649	mid	5.69	-34.2	1	268.401	1.792	2	2	5	COCC1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCC1
342603045	ZINC000617006649	high	3.47	-7.75	0	268.401	1.792	1	3	5	COCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCC1
342603046	ZINC000590879602	ref	5.08	-13.61	0	297.395	1.633	2	4	4	COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O
342603047	ZINC000617006671	ref	6.9	-44.72	1	290.411	1.434	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1
299072531	ZINC000567668149	ref	7.59	-52.06	1	298.39	2.081	1	4	4	c1ccc(Cn2nncc2C[NH+]2CCC3(CCO3)CC2)cc1
214201411	ZINC000053836095	ref	8.91	-15.89	0	338.367	2.135	1	6	3	C[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1nnc2ccccn12
214202815	ZINC000278512353	mid	3.59	-13.45	0	315.295	2.371	2	3	3	O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1CCCN1C1CC1
199273362	ZINC000181262464	ref	4.27	-51.51	1	320.437	1.276	3	3	5	CC(C)c1cc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc(=O)[nH]1
299072535	ZINC000567668149	mid	5.42	-9.22	0	298.39	2.081	0	5	4	c1ccc(Cn2nncc2CN2CCC3(CCO3)CC2)cc1
299072538	ZINC000567669316	ref	5.65	-6.73	0	292.379	2.078	1	3	5	CC=CC[C@@H]1NC(=O)N(C[C@]2(C)CCO[C@@H]2C2CC2)C1=O
197610639	ZINC000163089209	ref	6.05	-13.92	0	314.385	2.803	0	4	4	COc1ccc2nc(C)cc(C(=O)N(C)C[C@@H]3CCCO3)c2c1
342603048	ZINC000617006671	mid	8.42	-45.1	1	290.411	1.434	2	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1
342603049	ZINC000617006671	low	7.41	-84.53	2	290.411	1.434	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1
133429150	ZINC000306548404	mid	4.75	-2.1	0	193.212	2.591	0	1	2	C=C1CCN(CCC(F)(F)F)CC1
342603050	ZINC000617006671	low	8.93	-88.47	2	290.411	1.434	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1
342089983	ZINC000621367098	mid	2.58	-42.78	1	293.289	1.625	2	4	4	C[C@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)C[C@@H]1CO
342089984	ZINC000621367098	mid	2.37	-41.42	1	293.289	1.625	2	4	4	C[C@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)C[C@@H]1CO
342089985	ZINC000391586063	ref	5.49	-13.2	0	289.379	1.859	2	3	6	CCCNc1ccccc1C(=O)N[C@@H]1CC(=O)N(CC)C1
342089986	ZINC000600317953	ref	7.7	-11.16	0	271.357	1.602	0	4	5	COC(=O)[C@H](C)N(C)C(=O)CO[C@H]1CCC[C@@H](C)C1
342089987	ZINC000600317737	ref	4.66	-17.89	0	283.349	1.057	0	4	4	COC(=O)[C@H](C)N(C)C(=O)c1ccc([S@](C)=O)cc1
342089988	ZINC000121841427	ref	2.41	-11.72	0	279.34	1.707	2	4	6	Cc1cnccc1NC(=O)NCCOC[C@H]1CCCO1
342089989	ZINC000121841427	low	2.87	-35.05	1	279.34	1.707	2	3	6	Cc1c[nH+]ccc1NC(=O)NCCOC[C@H]1CCCO1
214201415	ZINC000053834864	ref	9.95	-40.24	0	332.345	1.411	1	8	3	O=c1nc(Cn2cnc([N+](=O)[O-])n2)[nH]c2sc3c(c12)CCCC3
349536120	ZINC000594973440	ref	8.08	-44.67	1	285.428	2.759	1	3	7	COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCOC(C)(C)C)[C@@H]1C
214201418	ZINC000053834864	high	9.53	-53.21	-1	332.345	1.411	0	8	3	O=c1nc(Cn2cnc([N+](=O)[O-])n2)[n-]c2sc3c(c12)CCCC3
342089990	ZINC000600317940	ref	7.47	-8.61	0	252.314	1.459	0	4	5	COC(=O)[C@H](C)N(C)C(=O)C[C@H](C)n1cccc1
342089991	ZINC000600317939	ref	7.47	-8.14	0	252.314	1.459	0	4	5	COC(=O)[C@H](C)N(C)C(=O)C[C@@H](C)n1cccc1
398249953	ZINC000569677940	ref	5.19	-46.29	1	295.427	1.588	2	2	2	O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[C@@]2(CCCOC2)C1
214201422	ZINC000053837307	ref	1.39	-14.18	0	344.337	1.175	2	3	4	NC(=O)NCc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1
214201425	ZINC000053837728	ref	10.8	-25.08	0	332.367	2.54	1	6	4	Cc1cccn2cc(-c3ccc(NC(=O)Cn4cncn4)cc3)nc12
136230312	ZINC000295488291	mid	4.29	-12.45	0	224.304	0.788	1	3	4	C#CCN1CCC(C(=O)NOC(C)C)CC1
136230313	ZINC000295636018	ref	6.48	-8.74	0	241.29	1.84	1	2	5	C#CCCOc1ccc(C(=O)N[C@H](C)C#C)cc1
136230314	ZINC000233223432	ref	3.81	-46.81	1	228.336	0.856	1	2	5	CCCOCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1
342089992	ZINC000380667008	ref	4.17	-57.07	1	276.38	1.734	2	2	7	COCC1(CNC(=O)c2ccc(CC[NH3+])cc2)CCC1
342089993	ZINC000052013997	ref	2.43	-39.22	1	297.37	1.596	3	3	7	O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccccc1F
342089994	ZINC000052014039	ref	1.3	-39.13	1	285.409	1.519	3	4	7	O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1cccs1
342089995	ZINC000600317948	ref	5.86	-11.56	0	285.727	1.982	0	4	4	COC(=O)[C@H](C)N(C)C(=O)c1ccc(OC)cc1Cl
342603051	ZINC000617006671	high	5.53	-10.77	0	290.411	1.434	1	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCc2cncn2C1
342603052	ZINC000590879781	ref	1.84	-12.56	0	289.291	1.349	1	6	5	CCc1ncc(CNC(=O)c2cncc(C(=O)OC)c2)o1
342603053	ZINC000590880091	ref	2.38	-11.57	0	288.347	1.887	2	4	1	CC1(C)C[C@H](O)CCN(C(=O)c2cc(O)cc(C#N)c2)C1
342603054	ZINC000590880091	mid	3.14	-46.36	-1	288.347	1.887	1	4	1	CC1(C)C[C@H](O)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1
342603055	ZINC000617006900	ref	5.98	-44.18	1	290.411	1.9	2	3	4	Cn1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C2CC2)n1
342603056	ZINC000617006900	mid	7.23	-43.78	1	290.411	1.9	2	3	4	Cn1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C2CC2)n1
342603057	ZINC000617006900	high	4.22	-12.7	0	290.411	1.9	1	4	4	Cn1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c(C2CC2)n1
342603058	ZINC000590879324	ref	5.38	-13.33	0	295.31	1.769	1	4	5	CCC1(CNC(=O)c2ccc(C(=O)OC)c(F)c2)COC1
342603059	ZINC000590879777	ref	3.06	-13.46	0	282.34	1.833	1	5	7	CCc1ncc(CNC(=O)CC(C)(C)CC(=O)OC)o1
342603060	ZINC000617006619	ref	6.09	-38.57	1	268.401	1.79	2	2	5	CCOC1CC(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)C1
185386286	ZINC000096747053	ref	6.04	-12.47	0	305.359	1.058	1	6	3	CSc1cccc(NC(=O)c2cn(C)c(=O)n(C)c2=O)c1
185386287	ZINC000096746575	ref	9.68	-51.28	-1	302.374	2.791	1	4	8	CCCC[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)[O-]
178325646	ZINC000237684926	ref	5.7	-49.86	1	358.398	1.858	2	6	6	Cc1noc(CCC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)n1
197610638	ZINC000290145556	ref	8.73	-14.88	0	286.379	2.0	1	5	5	Cc1nnc(N(CCCO)[C@H]2CCc3ccccc32)n1C
197610640	ZINC000290144631	ref	6.64	-9.4	0	284.315	3.432	0	5	5	COc1ccccc1CCc1nc(-c2ccoc2C)no1
214201420	ZINC000337658828	ref	-1.38	-35.73	0	291.354	-0.449	2	6	5	CNC(=O)CS(=O)(=O)CC(=O)Nc1nc(C)cs1
342603061	ZINC000617006619	mid	4.97	-39.14	1	268.401	1.79	2	2	5	CCOC1CC(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)C1
197610644	ZINC000290143501	ref	3.48	-15.72	0	290.348	1.241	0	6	4	Cc1cc(C)n(CCS(=O)(=O)c2ccc(C#N)cn2)n1
342603062	ZINC000617006619	high	3.07	-9.9	0	268.401	1.79	1	3	5	CCOC1CC(C(=O)NC[C@H]2CCN2C(C)(C)C)C1
342603063	ZINC000617006669	ref	7.99	-43.8	1	290.411	1.434	2	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1
342603064	ZINC000617006669	mid	6.9	-45.06	1	290.411	1.434	2	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1
398253936	ZINC000381581888	high	2.9	-7.69	0	210.321	1.385	1	2	2	CC[C@H]1CCCN1C(=O)[C@@H]1NCC1(C)C
365650711	ZINC000623090035	ref	8.92	-19.3	0	321.425	1.212	1	5	6	CC(C)(C)CC(=O)N1CCC[C@H]1C(=O)NCCCn1cncn1
178325649	ZINC000237696178	ref	6.3	-55.06	1	351.397	1.824	2	2	5	O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CC(=O)N(c2cc(F)cc(F)c2)C1
178325653	ZINC000237687728	ref	4.91	-52.8	1	355.442	1.108	2	4	5	Cc1cc(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)nn1-c1ccccc1
178325658	ZINC000237691643	ref	3.57	-68.36	1	368.499	1.435	1	4	6	Cc1ccc(OC2CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC2)cc1C
365650720	ZINC000623089665	ref	2.76	-16.15	0	306.288	1.5	2	4	3	C[C@@H](NC(=O)N[C@@H]1CCO[C@H]1c1nccn1C)C(F)(F)F
365650726	ZINC000623090629	ref	3.75	-41.19	1	306.41	1.344	2	5	8	Cc1ccc(-c2nn(C)cc2CN(C)CC[N@H+](C)CCO)o1
365650732	ZINC000623090629	mid	3.73	-41.39	1	306.41	1.344	2	5	8	Cc1ccc(-c2nn(C)cc2CN(C)CC[N@@H+](C)CCO)o1
365650739	ZINC000623090629	mid	3.85	-39.63	1	306.41	1.344	2	5	8	Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CCN(C)CCO)o1
365650745	ZINC000623090629	mid	3.73	-38.92	1	306.41	1.344	2	5	8	Cc1ccc(-c2nn(C)cc2C[N@H+](C)CCN(C)CCO)o1
365650749	ZINC000623090629	high	1.4	-11.31	0	306.41	1.344	1	6	8	Cc1ccc(-c2nn(C)cc2CN(C)CCN(C)CCO)o1
178325661	ZINC000237691643	mid	3.23	-22.76	0	368.499	1.435	1	5	6	Cc1ccc(OC2CCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC2)cc1C
365650756	ZINC000623090278	ref	5.82	-39.09	1	306.328	1.783	2	3	9	CN(CC[N@H+](C)CCO)Cc1cccc(F)c1OC(F)F
365650761	ZINC000623090278	mid	5.8	-38.8	1	306.328	1.783	2	3	9	CN(CC[N@@H+](C)CCO)Cc1cccc(F)c1OC(F)F
178325663	ZINC000237695381	ref	4.65	-60.97	1	372.513	1.598	2	3	5	C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)C1
178325667	ZINC000237689832	ref	3.91	-63.06	1	365.499	1.526	1	3	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)C1
178325670	ZINC000237705564	ref	4.28	-40.41	1	354.248	1.954	3	2	4	Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCC[NH2+]2)ccc1Br
178325673	ZINC000237705564	high	2.96	-9.4	0	354.248	1.954	3	3	4	Cc1cc(NC(=O)CNC(=O)[C@@H]2CCCCN2)ccc1Br
185386288	ZINC000096752499	ref	4.92	-46.73	1	318.487	1.317	4	3	8	CC[NH+](CC)CCNC(=S)NCCNC(=O)OC(C)(C)C
178325675	ZINC000237696210	ref	3.54	-62.58	1	359.451	1.835	2	3	4	CN1C(=O)c2cccc3c(S(=O)(=O)N[C@H]4CCC[C@H]4C[NH3+])ccc1c23
178325682	ZINC000237694068	ref	3.68	-13.97	0	353.322	1.596	1	5	3	C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CCN1
197610645	ZINC000163090553	ref	5.84	-42.81	1	304.312	2.399	1	2	6	C[NH2+]C[C@@H](C)C(=O)N(C)Cc1cccc(OC(F)(F)F)c1
219048728	ZINC000350703728	ref	4.08	-11.42	0	290.432	3.22	1	3	4	CSc1ccc(NC(=O)[C@H](C)N2C[C@H]3CCC[C@@H]32)cc1
365650725	ZINC000641615681	ref	4.81	-9.3	0	273.398	1.617	0	3	4	O=S(=O)(CC[C@@H]1CCCCO1)N1CC[C@H]2C[C@H]2C1
199273363	ZINC000294964594	ref	5.57	-10.73	0	291.347	1.523	0	5	6	COC(=O)[C@H]1COCCN1CCCC(=O)c1ccccc1
219048734	ZINC000350703728	mid	8.06	-36.52	1	290.432	3.22	2	2	4	CSc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@H]3CCC[C@@H]32)cc1
197610649	ZINC000163089679	ref	2.27	-40.48	1	318.295	1.266	2	3	4	CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1C[C@H](O)C[NH2+]1
192340136	ZINC000273863599	ref	7.39	-15.28	0	297.318	2.559	0	7	3	c1cc(-c2noc([C@@H]3CCCCO3)n2)cc(-n2cncn2)c1
199273366	ZINC000294962603	ref	4.53	-7.21	0	287.812	2.415	2	3	5	CSC[C@@H](C)NC(=O)[C@@](C)(O)c1ccc(Cl)cc1
199273368	ZINC000294964306	ref	7.2	-42.86	1	276.405	3.183	1	3	7	CCOc1cccc(CC[NH2+]Cc2ncc(C)s2)c1
219048736	ZINC000350703728	mid	8.48	-40.66	1	290.432	3.22	2	2	4	CSc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@H]3CCC[C@@H]32)cc1
219048739	ZINC000350704207	ref	5.68	-10.35	0	290.363	2.131	0	5	3	CC[C@@H]1CN(Cc2ccc3c(c2)oc(=O)n3C)C[C@H](C)O1
199273370	ZINC000294964306	high	5.84	-6.2	0	276.405	3.183	1	4	7	CCOc1cccc(CCNCc2ncc(C)s2)c1
342089996	ZINC000380432799	ref	2.65	-6.66	0	298.77	1.915	2	4	4	CNc1ccc(Cl)cc1C(=O)N[C@H]1CCOC[C@@H]1OC
199273372	ZINC000294963175	ref	5.63	-51.61	1	291.366	3.027	2	2	7	COC[C@@H](O)CC[NH2+][C@H](C)c1ccc(F)c2ccccc12
342089997	ZINC000131946535	ref	4.82	-96.25	2	269.433	1.803	3	1	8	CC(C)[NH2+]CCC(=O)NCC[NH2+]C1CCCCCC1
342089998	ZINC000621366607	ref	6.88	-35.74	1	296.455	1.975	2	2	5	C[C@H]1CC[N@H+](CC(=O)N(C)CC2CCCCC2)C[C@@H]1CO
342089999	ZINC000621366607	mid	6.43	-33.09	1	296.455	1.975	2	2	5	C[C@H]1CC[N@@H+](CC(=O)N(C)CC2CCCCC2)C[C@@H]1CO
342090000	ZINC000621366607	mid	4.35	-8.06	0	296.455	1.975	1	3	5	C[C@H]1CCN(CC(=O)N(C)CC2CCCCC2)C[C@@H]1CO
342090001	ZINC000052013905	ref	2.47	-40.79	1	279.38	1.628	3	3	6	Cc1cccc(OC[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)c1
342090002	ZINC000052013868	ref	1.87	-43.73	1	283.343	1.458	3	3	6	O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COc1ccccc1F
342090003	ZINC000600317992	ref	7.27	-10.92	0	264.325	1.143	0	4	5	COC(=O)[C@H](C)N(C)C(=O)CN(C)c1ccccc1
342090004	ZINC000621367100	ref	-0.01	-7.21	0	293.289	1.625	1	5	4	C[C@@H]1CCN(Cc2nc(CC(F)(F)F)no2)C[C@@H]1CO
342090005	ZINC000621367100	mid	2.37	-41.82	1	293.289	1.625	2	4	4	C[C@@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)C[C@@H]1CO
342090006	ZINC000621367100	mid	2.92	-42.04	1	293.289	1.625	2	4	4	C[C@@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)C[C@@H]1CO
342090007	ZINC000052013874	ref	0.32	-41.15	1	269.341	1.05	3	4	7	O[C@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COCc1ccco1
342090008	ZINC000051967346	ref	4.48	-47.53	1	262.353	1.032	2	2	5	Cc1cccc(CCC(=O)NC[C@H]2C[NH2+]CCO2)c1
365650733	ZINC000641615052	ref	2.69	-10.33	0	284.319	1.823	2	5	4	NC(=O)c1nccnc1Nc1ccc([C@@H]2CCOC2)cc1
214201421	ZINC000278511674	mid	1.24	-8.69	0	312.801	1.654	2	4	3	C[C@H](O)CN1CCN(C(=O)Nc2ccnc(Cl)c2)[C@@H](C)C1
214201423	ZINC000278511074	ref	8.0	-45.16	1	307.459	3.005	1	3	6	Cc1ccc(C[NH2+]C[C@@H]2CCSC2)c(O[C@H]2CCOC2)c1
342090009	ZINC000051967346	high	3.12	-7.92	0	262.353	1.032	2	3	5	Cc1cccc(CCC(=O)NC[C@H]2CNCCO2)c1
342090010	ZINC000399663617	ref	7.79	-76.95	0	279.336	1.862	1	4	6	COc1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1C(=O)[O-]
365650743	ZINC000641615360	ref	2.54	-17.5	0	295.351	1.517	1	3	4	CC1(C)[C@H](CNS(=O)(=O)[C@H]2C[C@@H]3CC[C@H]2O3)C1(F)F
342090011	ZINC000399663617	mid	7.78	-74.07	0	279.336	1.862	1	4	6	COc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)cc1C(=O)[O-]
342090012	ZINC000069458778	ref	6.89	-15.45	0	254.297	1.127	0	6	2	CCc1nnc2n1CCN(c1ncccc1C#N)C2
365650752	ZINC000641615714	ref	4.77	-10.15	0	287.367	1.74	0	6	4	COC[C@]1(C)CCN(c2ccc(-c3ccnn3C)nn2)C1
342090013	ZINC000121851639	ref	3.44	-43.64	1	297.317	1.427	2	3	5	O[C@@H](C[NH+]1CCC(OC[C@H]2CCOC2)CC1)C(F)(F)F
342090014	ZINC000121851639	mid	1.1	-5.67	0	297.317	1.427	1	4	5	O[C@@H](CN1CCC(OC[C@H]2CCOC2)CC1)C(F)(F)F
365650759	ZINC000641614950	ref	0.68	-8.37	0	252.318	1.048	2	5	7	CC[C@@H](C)[C@@H](CNc1nccnc1C(N)=O)OC
214201427	ZINC000278510093	ref	4.68	-50.15	1	323.433	2.593	2	4	8	CCOC1CC(O)(C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)C1
342090015	ZINC000621366540	ref	3.85	-33.77	1	296.436	1.623	3	3	5	Cc1ccsc1CNC(=O)C[N@H+]1CC[C@@H](C)[C@H](CO)C1
342090016	ZINC000621366540	mid	4.3	-35.9	1	296.436	1.623	3	3	5	Cc1ccsc1CNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](CO)C1
342090017	ZINC000621366540	mid	2.16	-10.37	0	296.436	1.623	2	4	5	Cc1ccsc1CNC(=O)CN1CC[C@@H](C)[C@H](CO)C1
192340777	ZINC000421456312	ref	6.36	-7.35	0	236.271	2.351	1	3	4	CCCNC(=O)c1cc([N+](=O)[O-])c(C)cc1C
342090018	ZINC000046880355	ref	5.49	-45.59	1	252.28	1.787	2	1	4	C[C@H]1CCC[N@H+](CCNC(=O)CC(F)(F)F)C1
342603065	ZINC000617006669	low	8.52	-87.77	2	290.411	1.434	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1
342603066	ZINC000617006669	low	7.41	-85.57	2	290.411	1.434	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1
197610656	ZINC000290144307	ref	3.49	-7.36	0	267.354	1.714	1	5	4	O=C(NC[C@@H]1CCCCO1)c1snnc1C1CC1
214201424	ZINC000337657829	ref	9.68	-25.53	1	286.379	2.284	1	4	6	CCOc1ccccc1CNc1nc(N(C)C)cc(C)[nH+]1
342603067	ZINC000617006669	high	5.27	-9.41	0	290.411	1.434	1	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCc2cncn2C1
398249956	ZINC000650876734	ref	5.17	-41.99	1	295.427	1.273	3	2	4	C[C@H](CO)C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1
214201428	ZINC000337657829	mid	9.33	-9.07	0	286.379	2.284	1	5	6	CCOc1ccccc1CNc1nc(C)cc(N(C)C)n1
295666993	ZINC000335766461	ref	4.89	-15.47	0	284.425	1.647	1	3	2	CS[C@H]1CCCCN(C(=O)[C@@]2(C)CCCNC2=O)C1
295666994	ZINC000123101900	ref	8.28	-36.88	1	272.458	2.317	1	2	4	CS[C@H]1CCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1
214201441	ZINC000337659343	ref	2.66	-39.01	1	289.42	0.756	3	3	10	CC(C)[NH+](CCNC(=O)N(C)CCOCCO)C(C)C
342603068	ZINC000590879595	ref	2.33	-26.83	0	295.404	1.705	2	3	4	C[S@](=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1
214201445	ZINC000337659239	ref	4.8	-11.58	0	274.295	2.088	1	3	5	COc1ccnc(CNC(=O)Cc2ccccc2F)c1
342603069	ZINC000617006640	ref	6.14	-44.11	1	297.443	1.526	3	2	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342603070	ZINC000617006640	mid	6.7	-44.49	1	297.443	1.526	3	2	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342603071	ZINC000617006640	high	3.83	-16.94	0	297.443	1.526	2	3	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@@H]1CCN1C(C)(C)C
342603072	ZINC000590879596	ref	2.33	-15.24	0	295.404	1.705	2	3	4	C[S@@](=O)c1cccc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1
342603073	ZINC000590881558	ref	3.9	-10.05	0	264.712	1.807	1	3	1	C[C@@H]1[C@H](O)CCN1C(=O)c1ccc(Cl)c(C#N)c1
214201457	ZINC000337657544	ref	6.7	-7.93	0	275.396	2.491	2	3	8	CC(C)CCCNC(=O)c1ccc(NCC2CC2)nc1
214201462	ZINC000337658752	ref	8.1	-11.27	0	289.423	3.09	1	2	3	C[C@@H]1CCN(C(=O)N[C@@H](C)Cc2ccncc2)C[C@@H](C)C1
214201465	ZINC000337658901	ref	2.51	-10.52	0	292.326	0.984	1	4	4	CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2OC(F)F)C1
214201467	ZINC000337658901	mid	4.93	-49.51	1	292.326	0.984	2	3	4	C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2OC(F)F)C1
214201468	ZINC000337658901	mid	4.77	-43.44	1	292.326	0.984	2	3	4	C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@@H]2OC(F)F)C1
342603074	ZINC000617006932	ref	4.93	-44.87	1	265.357	1.515	2	3	4	Cc1cc(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)on1
342603075	ZINC000617006932	mid	6.17	-45.06	1	265.357	1.515	2	3	4	Cc1cc(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)on1
214201426	ZINC000053837728	low	11.25	-42.89	1	332.367	2.54	1	5	4	Cc1cccn2cc(-c3ccc(NC(=O)Cn4cncn4)cc3)[nH+]c12
342603076	ZINC000617006932	high	3.15	-12.67	0	265.357	1.515	1	4	4	Cc1cc(CC(=O)NC[C@@H]2CCN2C(C)(C)C)on1
214201429	ZINC000053837100	ref	7.4	-16.77	0	342.325	1.061	0	6	2	Cc1cc(C)n2nc(C(=O)N3CCN(CC(F)(F)F)CC3)nc2n1
214201433	ZINC000053825717	ref	8.82	-18.67	0	341.411	1.875	0	5	2	Cc1ccc2ncn(CC(=O)N3CCO[C@@H]4CCCC[C@@H]43)c(=O)c2c1
398249957	ZINC000129579273	mid	5.58	-30.95	1	241.132	3.199	1	1	2	Brc1c[nH+]ccc1NC1CCCC1
214201439	ZINC000053825423	ref	10.71	-18.98	0	327.428	2.744	0	4	4	Cc1ccc2ncn(CC(=O)N(C)CC3CCCCC3)c(=O)c2c1
197610671	ZINC000163088908	ref	4.86	-12.68	0	304.209	2.497	1	3	5	COC[C@@H](C)Oc1ccc(Br)cc1C(N)=S
342603077	ZINC000617006648	ref	5.67	-34.41	1	268.401	1.792	2	2	5	COCC1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCC1
342603078	ZINC000617006648	mid	5.23	-33.89	1	268.401	1.792	2	2	5	COCC1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCC1
342603079	ZINC000617006648	high	3.41	-5.32	0	268.401	1.792	1	3	5	COCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCC1
342603080	ZINC000617006280	ref	5.5	-35.15	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H](O)C1CCC1
197610683	ZINC000163081123	ref	11.47	-55.39	1	322.412	3.169	1	4	7	COc1ccc(CC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cc1
214201442	ZINC000053844214	ref	7.96	-8.4	0	345.38	2.637	0	6	4	O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cc(-c2cccs2)on1
214201444	ZINC000053829577	ref	8.6	-42.83	1	326.184	4.278	1	0	3	Cc1cc([C@@H]([NH3+])Cc2cc(F)ccc2Br)ccc1F
342603081	ZINC000617006280	mid	4.05	-38.66	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H](O)C1CCC1
197610688	ZINC000163083872	ref	2.44	-16.23	0	305.378	2.251	3	3	5	CCOc1cccc(NC(=O)N[C@H]2CCC[C@@H](C(N)=O)C2)c1
214201448	ZINC000053831292	ref	8.47	-41.91	1	340.286	3.892	1	2	6	C[NH2+][C@@H](Cc1cccc(OC)c1)Cc1ccc(Br)s1
342603082	ZINC000617006280	high	2.52	-7.32	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H](O)C1CCC1
398249960	ZINC000336780044	ref	5.1	-39.08	1	242.388	2.61	1	3	8	CCCc1csc(C[NH2+]CC[C@H](C)OC)n1
342603083	ZINC000590880092	ref	2.4	-12.0	0	288.347	1.887	2	4	1	CC1(C)C[C@@H](O)CCN(C(=O)c2cc(O)cc(C#N)c2)C1
178325672	ZINC000065355585	low	6.63	-38.53	0	228.251	2.337	1	3	2	Cc1ccc(-c2ccc(N)[nH+]c2C(=O)[O-])cc1
178325676	ZINC000082522178	ref	6.17	-7.47	0	212.296	3.256	1	2	1	Cc1ccc(-c2ccc(N)c(C)n2)cc1C
219048729	ZINC000097694782	mid	9.14	-42.41	1	348.491	1.967	1	4	6	CCn1ccnc1C1CCN(C(=O)[C@H]2CCC[N@@H+](CCOC)C2)CC1
222609605	ZINC000283769881	ref	4.41	-5.77	0	316.401	1.793	2	3	5	C=CCC[C@@H](NC(=O)C(=O)N1CCC[C@H](O)C1)c1ccccc1
219048731	ZINC000097694782	low	9.58	-89.26	2	348.491	1.967	1	3	6	CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCC[N@H+](CCOC)C2)CC1
219048733	ZINC000097694782	low	9.74	-89.99	2	348.491	1.967	1	3	6	CCn1cc[nH+]c1C1CCN(C(=O)[C@H]2CCC[N@@H+](CCOC)C2)CC1
219048735	ZINC000097694782	high	6.85	-12.26	0	348.491	1.967	0	5	6	CCn1ccnc1C1CCN(C(=O)[C@H]2CCCN(CCOC)C2)CC1
219048738	ZINC000097696252	ref	-0.16	-17.39	0	343.347	-0.34	2	8	3	O=C(c1cn[nH]n1)N1CCN(Cc2cccc3nonc23)C[C@@H](O)C1
219048740	ZINC000097696252	mid	2.77	-44.26	1	343.347	-0.34	3	7	3	O=C(c1cn[nH]n1)N1CC[N@H+](Cc2cccc3nonc23)C[C@@H](O)C1
219048742	ZINC000097696252	mid	2.15	-48.3	1	343.347	-0.34	3	7	3	O=C(c1cn[nH]n1)N1CC[N@@H+](Cc2cccc3nonc23)C[C@@H](O)C1
219048746	ZINC000097696295	ref	6.6	-10.78	0	343.366	0.612	2	8	3	CNc1nc(N2CCN(c3ncccc3C#N)C[C@H](O)C2)ncc1F
214201430	ZINC000278510880	ref	8.76	-14.27	0	302.418	3.291	1	2	6	O=C(CCc1ccc(=O)[nH]c1)N(CC1CCCCC1)C1CC1
214201432	ZINC000278511672	ref	3.55	-49.1	1	312.801	1.654	3	3	3	C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccnc(Cl)c2)[C@H](C)C1
178325677	ZINC000082522177	ref	6.4	-6.35	0	212.296	3.256	1	2	1	Cc1ccc(-c2ccc(N)c(C)n2)c(C)c1
342603084	ZINC000590880092	mid	3.16	-46.31	-1	288.347	1.887	1	4	1	CC1(C)C[C@@H](O)CCN(C(=O)c2cc([O-])cc(C#N)c2)C1
185386289	ZINC000096753574	ref	9.46	-53.64	-1	302.374	2.647	1	4	7	CC(C)C[C@@H](NC(=O)CCn1ccc2ccccc21)C(=O)[O-]
349536122	ZINC000621246251	ref	3.69	-41.71	1	273.336	2.433	1	4	5	Cc1ccccc1COCc1nc(C2([NH3+])CCC2)no1
214201434	ZINC000278511672	mid	3.72	-47.98	1	312.801	1.654	3	3	3	C[C@H](O)C[N@H+]1CCN(C(=O)Nc2ccnc(Cl)c2)[C@H](C)C1
349536128	ZINC000621246251	mid	3.43	-9.08	0	273.336	2.433	1	5	5	Cc1ccccc1COCc1nc(C2(N)CCC2)no1
282126058	ZINC000246580382	high	4.49	-8.23	0	252.358	0.821	0	3	4	CN(C)C[C@@H]1CN(C(=O)[C@H]2C[C@H]2C2CC2)CCO1
178325684	ZINC000237694068	mid	4.91	-61.73	1	353.322	1.596	1	4	3	C[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2C(F)(F)F)CC[NH2+]1
365650737	ZINC000274397995	ref	2.85	-59.22	1	278.352	1.321	2	3	6	C[C@H](C[NH3+])NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
178325687	ZINC000237693474	ref	5.34	-51.01	1	359.47	1.42	1	3	4	C[C@@H](C(=O)N1CCC(C(=O)N2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1
365650747	ZINC000274398299	ref	5.35	-42.43	1	277.372	1.72	3	3	5	CC[NH+]1CCC(CCNC(=O)Nc2cncnc2)CC1
178325689	ZINC000237693474	high	5.02	-13.84	0	359.47	1.42	1	4	4	C[C@@H](C(=O)N1CCC(C(=O)N2CCOCC2)CC1)[C@H](N)c1ccccc1
178325691	ZINC000237684685	ref	4.33	-40.65	1	350.488	1.48	2	4	4	Cc1nc(C)c(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1
365650755	ZINC000274399521	ref	4.14	-53.56	1	256.346	1.771	2	2	6	C[C@H](C[NH3+])NC(=O)CCSc1ccccc1F
365650765	ZINC000274399325	ref	6.18	-17.01	0	297.362	1.956	1	5	4	Cc1ccc2c(c1)nc(CNC(=O)[C@@H](C)n1cccn1)n2C
349536123	ZINC000594970365	ref	9.27	-23.71	1	274.364	2.877	1	3	5	COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1[nH+]ccc(C)c1C1CC1
282123802	ZINC000305339232	ref	4.57	-8.7	0	324.465	2.432	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2
342090019	ZINC000046880355	mid	5.48	-45.98	1	252.28	1.787	2	1	4	C[C@H]1CCC[N@@H+](CCNC(=O)CC(F)(F)F)C1
365650775	ZINC000274400599	ref	4.99	-15.71	0	290.363	1.188	1	3	7	CNC(=O)C1CN(C(=O)CCCOCc2ccccc2)C1
398249958	ZINC000650876734	mid	5.04	-41.77	1	295.427	1.273	3	2	4	C[C@H](CO)C1CCN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CC1
365650785	ZINC000274398986	ref	6.17	-15.29	0	292.335	1.931	1	4	2	COC(=O)N(C)CC(=O)N1CC[C@H](C)c2cccc(O)c21
365650807	ZINC000274398986	high	7.21	-65.26	-1	292.335	1.931	0	4	2	COC(=O)N(C)CC(=O)N1CC[C@H](C)c2cccc([O-])c21
365650814	ZINC000274400205	ref	4.52	-10.82	0	258.325	1.923	1	4	3	Cc1cnccc1C(=O)N[C@H](C)c1cnn(C)c1C
365650825	ZINC000274398421	ref	1.33	-13.07	0	286.335	1.91	4	3	3	Cc1n[nH]cc1CNC(=O)N[C@H]1CCc2c(O)cccc21
365650835	ZINC000274398421	low	1.28	-12.84	0	286.335	1.91	4	3	3	Cc1[nH]ncc1CNC(=O)N[C@H]1CCc2c(O)cccc21
398249959	ZINC000650876734	high	2.72	-9.33	0	295.427	1.273	2	3	4	C[C@H](CO)C1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1
349536126	ZINC000594970365	mid	8.93	-8.99	0	274.364	2.877	1	4	5	COC(=O)[C@@H]1C[C@@H]1[C@@H](C)Nc1nccc(C)c1C1CC1
365650843	ZINC000274397779	ref	4.18	-14.16	0	295.383	1.442	0	5	6	CCCCN1CCOC[C@H]1C(=O)N(C)Cc1cc(C)on1
303960135	ZINC000563545814	low	8.23	-95.66	2	312.417	1.812	1	2	4	C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1c[nH+]cn1Cc1ccccc1
214725071	ZINC000299564718	ref	-0.88	-24.86	0	368.415	0.425	2	7	7	COc1ccc(OC)c([C@@H](C)NC(=O)Cn2cc(S(N)(=O)=O)cn2)c1
342090020	ZINC000046880355	high	3.26	-10.54	0	252.28	1.787	1	2	4	C[C@H]1CCCN(CCNC(=O)CC(F)(F)F)C1
222609614	ZINC000291779197	ref	7.1	-12.24	0	320.389	3.257	1	4	8	COCC(C)(C)CNC(=O)N(Cc1ccco1)Cc1ccco1
342090021	ZINC000600317950	ref	7.8	-11.52	0	271.357	1.602	0	4	5	COC(=O)[C@H](C)N(C)C(=O)CO[C@@H]1CCC[C@@H](C)C1
342090022	ZINC000600317954	ref	7.69	-12.02	0	260.293	1.573	0	4	3	COC(=O)[C@H](C)N(C)C(=O)c1cc2ccccn2c1
342090023	ZINC000394073968	ref	7.06	-42.05	1	270.442	1.978	1	2	4	CSC[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1
342090024	ZINC000386201077	ref	4.29	-40.1	1	254.374	1.307	2	2	5	CCOCC(C)(C)NC(=O)[C@@H]1CC12CC[NH2+]CC2
342090025	ZINC000046880353	ref	5.48	-45.97	1	252.28	1.787	2	1	4	C[C@@H]1CCC[N@H+](CCNC(=O)CC(F)(F)F)C1
342090026	ZINC000046880353	mid	5.49	-45.59	1	252.28	1.787	2	1	4	C[C@@H]1CCC[N@@H+](CCNC(=O)CC(F)(F)F)C1
197610679	ZINC000290145891	ref	5.24	-7.71	0	259.349	2.581	2	2	4	C[C@H](NC(=O)[C@H]1CC=CCC1)[C@H](O)c1ccccc1
342090027	ZINC000046880353	high	2.96	-10.86	0	252.28	1.787	1	2	4	C[C@@H]1CCCN(CCNC(=O)CC(F)(F)F)C1
192340780	ZINC000421453006	ref	5.46	-8.89	0	225.332	2.109	1	2	7	CCOCCCCNC(=O)[C@@]12CCC[C@@H]1C2
212173973	ZINC000275175493	ref	3.03	-15.27	0	323.34	1.691	1	4	5	Cc1cc(C(=O)N[C@@H](C)CC[S@@](C)=O)nc(C(F)(F)F)n1
342090028	ZINC000600317988	ref	7.19	-12.31	0	299.758	1.191	0	5	5	COC(=O)[C@H](C)N(C)C(=O)CN(C)c1ccc(Cl)cn1
212173978	ZINC000275176711	ref	3.37	-48.44	1	319.405	1.111	4	3	5	C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccc(O)c2)C1
342090029	ZINC000600317958	ref	5.86	-9.94	0	284.743	1.772	1	4	5	COC(=O)[C@H](C)N(C)C(=O)CNc1cccc(Cl)c1
212173983	ZINC000275176711	high	4.12	-81.18	0	319.405	1.111	3	3	5	C[NH+](C)[C@H]1CCC[C@H](NC(=O)CNC(=O)c2cccc([O-])c2)C1
212173985	ZINC000275175568	ref	0.82	-52.38	1	309.341	0.622	3	5	8	Cn1cc([C@@H](CO)[NH2+]C[C@@H](O)COc2ccccc2F)cn1
212173986	ZINC000275175568	mid	-0.4	-16.65	0	309.341	0.622	3	6	8	Cn1cc([C@@H](CO)NC[C@@H](O)COc2ccccc2F)cn1
342090030	ZINC000600317975	ref	4.52	-10.34	0	256.327	1.339	0	5	4	CCc1ncc(C(=O)N(C)[C@@H](C)C(=O)OC)s1
342090031	ZINC000621366605	ref	4.85	-13.91	0	299.338	1.176	0	8	4	COc1nc(C)cc(C)c1CN(C)c1ccc2nnnn2n1
365650738	ZINC000336563546	low	7.19	-99.91	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1
214201435	ZINC000278511672	mid	1.25	-9.03	0	312.801	1.654	2	4	3	C[C@H](O)CN1CCN(C(=O)Nc2ccnc(Cl)c2)[C@H](C)C1
178325685	ZINC000067879557	ref	5.99	-7.95	0	235.29	3.187	1	3	1	Cc1ccc(-c2ccc(N)nc2)c2cccnc12
214201437	ZINC000278510917	ref	5.06	-9.59	0	317.364	3.173	0	5	4	Cc1nc([C@@H](C)N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)no1
178325690	ZINC000067879557	low	6.55	-38.12	1	235.29	3.187	1	2	1	Cc1ccc(-c2ccc(N)[nH+]c2)c2cccnc12
178325693	ZINC000065340286	ref	6.7	-6.0	0	216.255	3.815	1	1	1	Cc1ccc(-c2ccc(O)c(C)c2)c(F)c1
342090032	ZINC000121856060	ref	5.79	-12.36	0	299.378	1.756	0	6	4	C[C@]1(c2ccccc2)CN(Cc2nnnn2C2CC2)CCO1
185091601	ZINC000096081289	ref	9.76	-45.8	1	290.432	2.642	1	2	4	Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC2CC2)s1
342090033	ZINC000609077220	ref	7.09	-13.1	0	263.366	1.906	1	4	6	CSCCNC(=O)CCn1cnc2ccccc21
178325701	ZINC000041660882	ref	7.55	-4.56	0	231.726	4.206	1	1	1	Cc1ccc(-c2ccc(N)cc2Cl)cc1C
342090034	ZINC000600317977	ref	5.59	-12.14	0	282.315	1.525	0	4	4	COC(=O)[C@H](C)N(C)C(=O)c1ccc(N(C)C)c(F)c1
398249961	ZINC000336780044	high	3.78	-4.03	0	242.388	2.61	1	4	8	CCCc1csc(CNCC[C@H](C)OC)n1
398249963	ZINC000286677169	ref	6.58	-7.24	0	249.31	2.736	0	4	6	C=C[C@](C)(CC)C(=O)OCc1cnccc1OC
178325717	ZINC000070458882	ref	5.79	-16.79	0	240.266	1.701	1	4	1	Cc1ccc(-c2ccc3n[nH]c(=O)n3n2)cc1C
192340783	ZINC000421453211	ref	7.56	-7.03	0	223.36	3.119	1	1	5	CC(C)(C)CCCCNC(=O)[C@H]1CC12CC2
342090035	ZINC000046880408	ref	5.58	-41.98	1	296.333	1.803	2	2	7	C[C@H]1CCC[N@H+](CCNC(=O)CCOCC(F)(F)F)C1
214201440	ZINC000278510182	ref	8.86	-41.57	1	304.463	3.11	1	4	4	Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)s1
178325728	ZINC000065343139	ref	6.5	-6.49	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(O)c(Cl)c2)c(F)c1
178325732	ZINC000065343139	mid	7.27	-43.42	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc([O-])c(Cl)c2)c(F)c1
365650744	ZINC000336563546	low	7.18	-104.64	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@]2(CC[NH2+]C2)C1
178325736	ZINC000065340311	ref	3.37	-5.61	0	218.227	3.212	2	2	1	Cc1ccc(-c2ccc(F)cc2O)cc1O
398249966	ZINC000286677169	low	7.04	-36.79	1	249.31	2.736	0	3	6	C=C[C@](C)(CC)C(=O)OCc1c[nH+]ccc1OC
178325738	ZINC000065340311	high	4.13	-43.1	-1	218.227	3.212	1	2	1	Cc1ccc(-c2ccc(F)cc2[O-])cc1O
349536124	ZINC000621500401	ref	8.76	-9.86	0	294.345	3.361	1	1	3	C[C@H]1c2ccccc2CCN1C(=O)NCC[C@@H]1CC1(F)F
214201443	ZINC000278510257	ref	4.79	-49.73	1	314.389	1.46	4	2	4	O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)[nH]c2c1
214201446	ZINC000278511318	ref	6.84	-55.31	1	307.394	3.279	1	4	5	C[C@H]([NH2+]C[C@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201449	ZINC000278511318	mid	5.62	-8.63	0	307.394	3.279	1	5	5	C[C@H](NC[C@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201452	ZINC000278509718	ref	8.88	-20.74	0	300.362	2.291	1	4	4	CC(C)C(=O)Nc1ccc(C(=O)N(C)c2nccn2C)cc1
214201456	ZINC000278510906	ref	6.29	-34.54	1	303.475	3.49	1	3	8	CC[C@@](C)([NH2+]CCN(C)Cc1ccccc1)c1nccs1
214201458	ZINC000278510906	mid	7.89	-42.61	1	303.475	3.49	2	3	8	CC[C@@](C)(NCC[N@H+](C)Cc1ccccc1)c1nccs1
214201460	ZINC000278510906	mid	7.88	-42.72	1	303.475	3.49	2	3	8	CC[C@@](C)(NCC[N@@H+](C)Cc1ccccc1)c1nccs1
214201461	ZINC000278510906	high	5.56	-4.1	0	303.475	3.49	1	4	8	CC[C@@](C)(NCCN(C)Cc1ccccc1)c1nccs1
342090036	ZINC000046880408	mid	5.57	-42.44	1	296.333	1.803	2	2	7	C[C@H]1CCC[N@@H+](CCNC(=O)CCOCC(F)(F)F)C1
342090037	ZINC000046880408	high	3.34	-7.79	0	296.333	1.803	1	3	7	C[C@H]1CCCN(CCNC(=O)CCOCC(F)(F)F)C1
185091602	ZINC000096081289	mid	10.08	-46.69	1	290.432	2.642	1	2	4	Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CC(=O)N3CC2CC2)s1
185091605	ZINC000096081289	high	8.08	-8.0	0	290.432	2.642	0	3	4	Cc1ccc(CN2CC[C@H]3[C@@H]2CC(=O)N3CC2CC2)s1
214201464	ZINC000278511138	ref	5.21	-23.42	0	311.385	2.904	2	2	2	CC(C)(C)[C@@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)c2ccccc21
342090038	ZINC000052009359	ref	3.43	-41.02	1	274.364	1.293	3	2	2	O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1[NH2+]CCc2ccccc21
342090039	ZINC000052009359	mid	2.3	-10.81	0	274.364	1.293	3	3	2	O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1NCCc2ccccc21
342090040	ZINC000382010433	ref	4.58	-41.56	1	266.385	1.309	2	2	5	COCC1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)CCC1
342090041	ZINC000600317740	ref	5.1	-11.51	0	289.129	1.411	1	3	3	COC(=O)[C@H](C)N(C)C(=O)c1cc(Br)c[nH]1
342090042	ZINC000046880416	ref	6.2	-39.37	1	268.401	1.794	2	2	6	C[C@H]1CCC[N@H+](CCNC(=O)CC[C@@H]2CCCO2)C1
342090043	ZINC000046880416	mid	6.18	-39.85	1	268.401	1.794	2	2	6	C[C@H]1CCC[N@@H+](CCNC(=O)CC[C@@H]2CCCO2)C1
342090044	ZINC000046880416	high	3.96	-7.5	0	268.401	1.794	1	3	6	C[C@H]1CCCN(CCNC(=O)CC[C@@H]2CCCO2)C1
342090045	ZINC000121851823	ref	3.43	-42.76	1	297.317	1.427	2	3	5	O[C@H](C[NH+]1CCC(OC[C@@H]2CCOC2)CC1)C(F)(F)F
365650740	ZINC000176025416	low	6.71	-32.41	1	216.284	2.375	1	1	3	Cc1c[nH+]ccc1NC(=O)[C@@H]1C[C@@H]1C1CC1
290624440	ZINC000491984888	ref	6.93	-14.03	0	330.428	2.477	1	3	4	CNC(=O)c1ccc(/C=C\C(=O)N2CCC[C@@](C)(OC)CC2)cc1
290624441	ZINC000492154184	ref	7.84	-50.41	-1	344.411	2.353	2	4	6	CNC(=O)c1ccc(/C=C\C(=O)NC2(CC(=O)[O-])CCCCC2)cc1
214201455	ZINC000053836410	ref	10.22	-26.5	0	333.348	1.852	1	7	8	CCOc1ccccc1[C@@H](CC)NC(=O)Cn1cnc([N+](=O)[O-])n1
342090046	ZINC000121851823	mid	1.17	-5.41	0	297.317	1.427	1	4	5	O[C@H](CN1CCC(OC[C@@H]2CCOC2)CC1)C(F)(F)F
342090047	ZINC000051992314	ref	1.22	-9.37	0	269.263	1.375	2	3	5	O=C(CCOCC(F)(F)F)N[C@H]1CCCC[C@@H]1O
365650748	ZINC000576648544	ref	2.59	-36.71	1	241.36	1.411	2	3	4	C[NH2+][C@H](C)C(=O)NC(C)(C)c1ncc(C)s1
214201459	ZINC000053841599	ref	12.03	-21.87	0	334.445	2.88	0	7	5	CCCCc1c(C)nc2nc(S[C@H]3C[C@@H](C)OC3=O)nn2c1C
342090048	ZINC000600317764	ref	5.25	-7.46	0	298.726	1.298	1	4	3	COC(=O)[C@H](C)N(C)C(=O)C(=O)Nc1ccc(Cl)cc1
365650754	ZINC000576648544	high	1.26	-5.47	0	241.36	1.411	2	4	4	CN[C@H](C)C(=O)NC(C)(C)c1ncc(C)s1
365650763	ZINC000576650498	ref	1.02	-17.49	0	222.248	-0.102	1	3	3	O=C(CN1CN=NC1=O)N[C@H]1[C@H]2CCC[C@H]21
365650771	ZINC000576649213	ref	5.65	-7.67	0	246.318	1.012	1	6	1	CC1CCN(c2nc(N)nc3c2cnn3C)CC1
365650781	ZINC000576650013	ref	7.0	-32.71	1	233.359	2.781	1	2	4	CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ncccn1
342090049	ZINC000388671154	ref	3.38	-50.12	1	262.353	1.692	2	2	6	COCC1(CNC(=O)c2cccc(C[NH3+])c2)CCC1
342090050	ZINC000388671154	high	2.98	-9.91	0	262.353	1.692	2	3	6	COCC1(CNC(=O)c2cccc(CN)c2)CCC1
365650787	ZINC000576650013	high	6.19	-4.62	0	233.359	2.781	1	3	4	CC[C@@H]1CC[C@@H](C)C[C@@H]1NCc1ncccn1
342090051	ZINC000386087287	ref	2.94	-10.79	0	299.787	1.277	2	6	6	CNc1nc(C(=O)NCCCn2cc(Cl)cn2)cs1
342090052	ZINC000386573179	ref	2.84	-46.73	1	254.374	1.437	2	2	5	COCC1(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCC1
342090053	ZINC000052014043	ref	1.35	-39.24	1	285.409	1.519	3	4	7	O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COCc1cccs1
398254100	ZINC000381351869	ref	4.5	-38.85	1	243.391	2.188	2	2	7	CC[C@H](C)[C@@H](C[NH2+]CC1CCC(O)CC1)OC
342090054	ZINC000624051250	ref	1.14	-6.88	0	292.383	1.176	0	6	5	CCCOc1nccnc1N1CCN([C@@H]2CCOC2)CC1
342090055	ZINC000624051250	low	3.58	-38.77	1	292.383	1.176	1	5	5	CCCOc1nccnc1N1CC[NH+]([C@@H]2CCOC2)CC1
342090056	ZINC000046880406	ref	5.56	-42.47	1	296.333	1.803	2	2	7	C[C@@H]1CCC[N@H+](CCNC(=O)CCOCC(F)(F)F)C1
342603085	ZINC000617006295	ref	4.64	-38.23	1	296.333	1.943	2	2	5	CO[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F
342603086	ZINC000617006295	mid	5.89	-37.68	1	296.333	1.943	2	2	5	CO[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F
214201466	ZINC000053833505	ref	2.52	-24.12	0	341.375	1.048	3	6	5	Cc1cc(NC(=O)CCc2c(C)nc3c(C(N)=O)cnn3c2C)n[nH]1
398249962	ZINC000650876133	ref	6.42	-35.56	1	294.443	1.35	3	1	5	CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1
398249964	ZINC000650876133	mid	4.01	-7.47	0	294.443	1.35	3	1	5	CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CC2)C1
398249965	ZINC000650876133	high	6.42	-35.56	1	294.443	1.35	2	2	5	CN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1
214201475	ZINC000053830819	ref	10.09	-43.28	1	342.277	4.413	1	1	6	CC[NH2+][C@@H](Cc1cccc(F)c1)Cc1ccc(Br)s1
219048743	ZINC000350704207	mid	8.13	-53.07	1	290.363	2.131	1	4	3	CC[C@@H]1C[N@H+](Cc2ccc3c(c2)oc(=O)n3C)C[C@H](C)O1
342603087	ZINC000617006295	high	2.86	-7.17	0	296.333	1.943	1	3	5	CO[C@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)C(F)(F)F
178325713	ZINC000237694628	ref	4.17	-45.38	1	364.534	1.487	2	3	4	C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1
398249967	ZINC000650876133	high	4.01	-7.47	0	294.443	1.35	1	3	5	CN(CCN1CCCCC1)C(=O)N[C@@H]1CCN(C2CC2)C1
219048745	ZINC000350704207	mid	7.57	-50.75	1	290.363	2.131	1	4	3	CC[C@@H]1C[N@@H+](Cc2ccc3c(c2)oc(=O)n3C)C[C@H](C)O1
219048748	ZINC000350698467	ref	3.97	-17.9	0	267.292	2.222	2	4	2	Cc1ccnc(C(=O)Nc2cc(C)c3c[nH]nc3c2)n1
219048751	ZINC000350699562	ref	-0.24	-13.02	0	298.261	-0.479	2	5	5	COC(=O)[C@H](O)CNC(=O)[C@@H]1CCN(CC(F)(F)F)C1
219048756	ZINC000350702708	ref	5.79	-7.45	0	274.276	2.33	1	5	3	COC(=O)c1cc(C(=O)Nc2ccc(C)c(C)c2)no1
219048760	ZINC000350702201	ref	4.22	-9.05	0	277.318	3.416	0	3	3	FC(F)n1c(CN2C[C@H]3CCC[C@@H]32)nc2ccccc21
219048764	ZINC000350702201	low	7.94	-36.82	1	277.318	3.416	1	2	3	FC(F)n1c(C[N@@H+]2C[C@H]3CCC[C@@H]32)nc2ccccc21
219048765	ZINC000350702201	low	8.52	-38.74	1	277.318	3.416	1	2	3	FC(F)n1c(C[N@H+]2C[C@H]3CCC[C@@H]32)nc2ccccc21
295666995	ZINC000123101900	high	6.91	-6.46	0	272.458	2.317	0	3	4	CS[C@H]1CCCCN(C(=O)[C@H](C(C)C)N(C)C)C1
219048772	ZINC000350702768	ref	5.16	-8.06	0	273.327	2.147	0	4	5	CC[C@H]1CN(Cc2cnn(CC(F)F)c2)C[C@H](C)O1
219048778	ZINC000350702768	low	7.03	-41.43	1	273.327	2.147	1	3	5	CC[C@H]1C[N@H+](Cc2cnn(CC(F)F)c2)C[C@H](C)O1
398249969	ZINC000292530865	ref	4.08	-9.89	0	274.162	1.958	1	3	4	CC(C)CCNC(=O)c1nn(C)cc1Br
214201469	ZINC000278510768	ref	5.73	-18.65	0	300.358	2.155	1	4	4	C[C@@H]1COCC[C@H]1NC(=O)COc1cccc2cccnc12
214201471	ZINC000278509684	ref	8.26	-43.02	1	320.433	2.799	2	3	8	Cc1ccc(NC(=O)C[N@H+](C)CCCCC2(C)OCCO2)cc1
214201474	ZINC000278509684	mid	8.24	-43.04	1	320.433	2.799	2	3	8	Cc1ccc(NC(=O)C[N@@H+](C)CCCCC2(C)OCCO2)cc1
214201477	ZINC000278509684	mid	5.98	-10.5	0	320.433	2.799	1	4	8	Cc1ccc(NC(=O)CN(C)CCCCC2(C)OCCO2)cc1
178325715	ZINC000237694628	high	4.58	-12.37	0	364.534	1.487	2	4	4	C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3(N)CCCCC3)CC2)C1
178325719	ZINC000237703003	ref	3.0	-59.78	1	353.386	1.813	2	7	4	Cc1nc(-c2cccc(NC(=O)c3cn(C4CC[NH2+]CC4)nn3)c2)no1
365650750	ZINC000336563163	ref	4.03	-8.26	0	277.299	2.074	2	3	1	CC1(C)[C@@H](O)CCN1C(=O)Nc1ccc(F)cc1C#N
398249968	ZINC000286668910	ref	6.78	-11.11	0	239.706	2.775	1	2	4	C=CCCN(C)C(=O)Nc1cc(Cl)ccn1
365650757	ZINC000336563366	ref	5.67	-45.03	1	268.382	2.216	1	3	3	CSc1ccc(C(=O)N(C)[C@H]2CCC[NH2+]CC2)o1
178325725	ZINC000237686591	ref	8.1	-55.28	1	359.47	1.433	1	3	4	Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)C2CC[NH2+]CC2)CC1
178325726	ZINC000237694634	ref	8.99	-50.86	-1	356.378	1.813	0	5	4	Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C(=O)[O-])o3)CC2)cc1
343995686	ZINC000079959874	ref	8.05	-13.74	0	290.294	2.085	1	3	4	COC(=O)CN(C(=O)c1cc2c(F)cccc2[nH]1)C1CC1
398249971	ZINC000286795992	ref	5.46	-6.66	0	237.347	2.574	1	4	6	CCOC(C)(C)CNc1cc(C)nc(CC)n1
214201484	ZINC000278510235	ref	5.28	-13.06	0	316.323	3.248	2	2	2	Cc1ccc(C(F)(F)F)cc1NC(=O)N1CC(C(C)(C)O)C1
214201488	ZINC000278510895	ref	10.76	-43.05	1	322.478	2.141	1	5	5	CCOc1ccnc(N2CCC[N@H+](C[C@@H]3CCSC3)CC2)n1
178325729	ZINC000237693425	ref	3.84	-53.31	1	369.412	1.832	2	3	6	Cc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc(C)c1OC(F)F
214201492	ZINC000278510895	mid	10.7	-42.86	1	322.478	2.141	1	5	5	CCOc1ccnc(N2CCC[N@@H+](C[C@@H]3CCSC3)CC2)n1
342090057	ZINC000046880406	mid	5.58	-41.99	1	296.333	1.803	2	2	7	C[C@@H]1CCC[N@@H+](CCNC(=O)CCOCC(F)(F)F)C1
214201499	ZINC000278510744	ref	7.93	-49.54	1	320.433	1.991	2	3	7	Cc1ccc(OCC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1
342090058	ZINC000046880406	high	3.04	-8.02	0	296.333	1.803	1	3	7	C[C@@H]1CCCN(CCNC(=O)CCOCC(F)(F)F)C1
342090059	ZINC000052013876	ref	0.37	-41.32	1	269.341	1.05	3	4	7	O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COCc1ccco1
342603088	ZINC000617006631	ref	4.8	-38.8	1	292.383	1.268	2	4	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnn2c1OCCC2
342603089	ZINC000617006631	mid	3.26	-42.64	1	292.383	1.268	2	4	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cnn2c1OCCC2
349536129	ZINC000594970272	ref	8.11	-54.94	1	297.358	2.698	2	3	5	COC(=O)c1cc(C[NH2+]C(C)(C)c2cccc(C#N)c2)c[nH]1
349536133	ZINC000594970272	high	7.03	-10.43	0	297.358	2.698	2	4	5	COC(=O)c1cc(CNC(C)(C)c2cccc(C#N)c2)c[nH]1
349536137	ZINC000594970834	ref	5.07	-10.08	0	299.374	2.959	2	3	5	COc1ccc(C)cc1CNC(=O)N[C@@H](C)c1cccnc1
214201476	ZINC000337659069	ref	11.9	-50.19	1	295.411	3.492	1	3	3	c1cn(-c2ccc(C[N@@H+]3CCc4sccc4C3)cc2)cn1
214201480	ZINC000337659069	mid	11.89	-50.18	1	295.411	3.492	1	3	3	c1cn(-c2ccc(C[N@H+]3CCc4sccc4C3)cc2)cn1
214201482	ZINC000337659069	mid	9.3	-8.3	0	295.411	3.492	0	4	3	c1cn(-c2ccc(CN3CCc4sccc4C3)cc2)cn1
214201485	ZINC000337659069	low	12.41	-89.6	2	295.411	3.492	1	2	3	c1cn(-c2ccc(C[N@@H+]3CCc4sccc4C3)cc2)c[nH+]1
342603090	ZINC000617006631	high	1.38	-14.21	0	292.383	1.268	1	5	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1cnn2c1OCCC2
214201487	ZINC000337659069	low	12.4	-89.18	2	295.411	3.492	1	2	3	c1cn(-c2ccc(C[N@H+]3CCc4sccc4C3)cc2)c[nH+]1
214201491	ZINC000337658214	ref	5.1	-10.74	0	290.392	2.345	2	4	7	CCSCCCNC(=O)c1[nH]nnc1-c1ccccc1
349536143	ZINC000594971102	ref	9.65	-36.01	1	273.376	2.502	1	2	4	COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H]1Cc2ccccc2[C@@H]1C
342603091	ZINC000617006279	ref	3.76	-38.53	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](O)C1CCC1
342603092	ZINC000617006279	mid	5.37	-38.59	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H](O)C1CCC1
342603093	ZINC000617006279	high	2.45	-7.98	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H](O)C1CCC1
342603094	ZINC000003396918	ref	5.56	-12.06	0	270.716	1.806	1	4	5	CC[C@H](C)NC(=O)COC(=O)c1cccnc1Cl
214201494	ZINC000337658214	mid	5.07	-7.94	0	290.392	2.345	2	4	7	CCSCCCNC(=O)c1n[nH]nc1-c1ccccc1
342603095	ZINC000590879588	ref	5.15	-19.19	0	298.383	1.7	2	3	7	CNC(=O)C[C@H](C)NC(=O)CSCc1ccc(F)cc1
214201497	ZINC000337659414	ref	0.4	-14.56	0	297.355	-0.016	3	4	7	CC1(C)NC(=O)N(CCCC(=O)NC[C@@H](O)C2CC2)C1=O
303960139	ZINC000412058944	ref	4.21	-14.91	0	330.432	1.358	2	3	3	CNC(=O)NC1CCN(CC(=O)N2c3ccccc3C[C@@H]2C)CC1
219048744	ZINC000286550799	ref	8.42	-13.08	0	321.384	2.966	1	5	3	Cc1c(C(=O)Nc2cc3n(n2)CCCC3)cnn1-c1ccccc1
342603096	ZINC000617006803	ref	3.96	-43.49	1	253.321	1.756	3	1	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(F)c[nH]1
222609617	ZINC000291778635	ref	3.8	-13.85	0	316.332	2.639	1	4	3	O=C(c1ocnc1C1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1
290624444	ZINC000492312038	ref	5.81	-15.14	0	328.412	2.231	1	3	3	CNC(=O)c1ccc(/C=C\C(=O)N2CCOCC23CCCC3)cc1
349536131	ZINC000621500538	ref	7.72	-11.94	0	298.308	3.327	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CC[C@H]1c1cccc(F)c1
365650751	ZINC000173010723	ref	5.0	-13.37	0	261.329	1.717	1	4	2	CN(C(=O)c1cc(C(C)(C)C)[nH]n1)c1cnn(C)c1
398249970	ZINC000380355627	ref	5.95	-4.37	0	211.28	2.851	1	2	5	C[C@@H](CF)NCc1ccc([C@H]2C[C@@H]2C)o1
219048749	ZINC000286548916	ref	1.86	-13.55	0	308.382	0.07	2	5	5	Cc1cnn(CCNC(=O)C(=O)N2CCC[C@H]2C[C@@H](C)O)c1
342603097	ZINC000617006803	mid	5.51	-43.54	1	253.321	1.756	3	1	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c[nH]1
136230315	ZINC000295640143	ref	4.37	-7.1	0	245.322	1.835	2	2	5	C#Cc1ccc(CNC(=O)[C@](C)(O)CCC)cc1
192340787	ZINC000421452757	ref	9.25	-6.45	0	237.387	3.316	0	1	4	CCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H](C)C(C)C
342603098	ZINC000617006803	high	2.61	-11.13	0	253.321	1.756	2	2	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(F)c[nH]1
342603099	ZINC000617006532	ref	4.46	-34.92	1	265.332	1.823	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cn1
342603100	ZINC000617006532	mid	6.02	-34.78	1	265.332	1.823	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ccc(F)cn1
219048753	ZINC000286549690	ref	5.86	-54.28	1	305.386	0.181	3	5	7	C[C@@H](CNC(=O)NCCn1cnc(C#N)n1)C[NH+]1CCCC1
342603101	ZINC000617006532	high	3.11	-6.17	0	265.332	1.823	1	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1ccc(F)cn1
293081741	ZINC000360612833	ref	4.18	-10.12	0	285.384	1.313	0	4	4	COC[C@H](C)[C@H](C)C(=O)N1CCO[C@]2(CCCOC2)C1
342603102	ZINC000617006634	ref	7.46	-39.27	1	293.415	1.636	2	4	3	CC(C)(C)n1cnc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1
342603103	ZINC000617006634	mid	6.33	-39.68	1	293.415	1.636	2	4	3	CC(C)(C)n1cnc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1
342603104	ZINC000617006634	mid	5.02	-13.32	0	293.415	1.636	1	5	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1ncn(C(C)(C)C)n1
342603105	ZINC000617006675	ref	7.41	-38.55	1	288.395	1.957	2	3	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1
342603106	ZINC000617006675	mid	5.78	-41.24	1	288.395	1.957	2	3	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1
342090060	ZINC000600317949	ref	7.21	-15.04	0	292.31	1.869	1	3	4	COC(=O)[C@H](C)N(C)C(=O)Cc1c[nH]c2ccc(F)cc12
342090061	ZINC000600317957	ref	7.8	-15.11	0	274.32	1.812	0	4	3	COC(=O)[C@H](C)N(C)C(=O)c1cccc2c1ccn2C
342090062	ZINC000386213232	ref	3.16	-40.07	1	268.401	1.433	3	2	5	O=C(CC1CC[NH2+]CC1)N[C@H](CO)C1CCCCC1
342090063	ZINC000395442881	ref	2.18	-10.3	0	269.37	1.179	2	5	1	CC1(C)C[C@H](O)CCN(C(=O)c2csc(N)n2)C1
342090064	ZINC000121855930	ref	4.08	-8.82	0	280.372	1.953	2	4	5	CC(C)C[C@H](C)NC(=O)C(=O)Nc1cnn(C(C)C)c1
342090065	ZINC000121855792	ref	4.11	-8.82	0	280.372	1.953	2	4	5	CC(C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(C(C)C)c1
342090066	ZINC000621367099	ref	0.41	-7.42	0	293.289	1.625	1	5	4	C[C@H]1CCN(Cc2nc(CC(F)(F)F)no2)C[C@H]1CO
342090067	ZINC000621367099	mid	2.6	-42.52	1	293.289	1.625	2	4	4	C[C@H]1CC[N@H+](Cc2nc(CC(F)(F)F)no2)C[C@H]1CO
342090068	ZINC000621367099	mid	2.68	-41.69	1	293.289	1.625	2	4	4	C[C@H]1CC[N@@H+](Cc2nc(CC(F)(F)F)no2)C[C@H]1CO
342090069	ZINC000052014000	ref	2.48	-39.32	1	297.37	1.596	3	3	7	O[C@@H](C[NH2+][C@H]1CCCC[C@@H]1O)COCc1ccccc1F
342090070	ZINC000046880414	ref	6.18	-39.88	1	268.401	1.794	2	2	6	C[C@@H]1CCC[N@H+](CCNC(=O)CC[C@@H]2CCCO2)C1
342090071	ZINC000046880414	mid	6.2	-39.41	1	268.401	1.794	2	2	6	C[C@@H]1CCC[N@@H+](CCNC(=O)CC[C@@H]2CCCO2)C1
342090072	ZINC000046880414	high	3.65	-7.73	0	268.401	1.794	1	3	6	C[C@@H]1CCCN(CCNC(=O)CC[C@@H]2CCCO2)C1
342090073	ZINC000131951295	ref	6.4	-97.34	2	267.417	1.365	2	1	7	CC(C)[NH2+]CCC(=O)N1CCC([NH2+]CC2CC2)CC1
342090074	ZINC000600317974	ref	8.87	-14.24	0	288.347	1.741	0	4	4	COC(=O)[C@H](C)N(C)C(=O)Cc1cn(C)c2ccccc12
342090075	ZINC000600317743	ref	4.74	-17.73	0	261.281	1.196	1	4	3	COC(=O)[C@H](C)N(C)C(=O)c1ccc2n[nH]cc2c1
342090076	ZINC000051967343	ref	4.42	-47.72	1	262.353	1.032	2	2	5	Cc1cccc(CCC(=O)NC[C@@H]2C[NH2+]CCO2)c1
342090077	ZINC000051967343	high	3.05	-7.64	0	262.353	1.032	2	3	5	Cc1cccc(CCC(=O)NC[C@@H]2CNCCO2)c1
342090078	ZINC000600317955	ref	5.51	-10.61	0	268.338	1.654	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1cnc(C2CC2)s1
342104044	ZINC000047676966	low	5.03	-44.69	1	295.358	1.346	3	2	5	C[C@@H](C[NH+]1CCOCC1)NC(=O)NCc1ccc(F)cc1
342104045	ZINC000048721858	ref	6.81	-13.76	0	292.36	1.891	1	5	6	COC(=O)CCNC(=O)c1cccn1Cc1cccs1
342104046	ZINC000609355792	ref	1.25	-15.83	0	293.254	1.922	2	5	4	COC(=O)c1ccc(F)c(NC(=O)NCc2cocn2)c1
342603107	ZINC000617006675	high	3.51	-8.96	0	288.395	1.957	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)c1cnc(C2CC2)nc1
219048747	ZINC000097695017	ref	7.92	-17.31	0	344.44	2.791	1	5	5	CCCc1nnc(NC(=O)[C@H]2CCN(c3ccc(C)cc3)C2=O)s1
219048750	ZINC000097695745	ref	5.09	-11.89	0	342.399	1.762	1	5	3	Cc1cc(C(=O)Nc2cccc(C(=O)N3CCOCC3)c2C)n(C)n1
365650758	ZINC000173002374	ref	6.47	-14.07	0	278.352	1.718	1	4	7	CC(C)OC(=O)[C@H](C)CNC(=O)CCc1ccncc1
342603108	ZINC000590881552	ref	11.54	-45.44	1	283.339	1.039	1	6	7	c1ccc(-n2cncn2)c(C[NH2+]CCCn2cncn2)c1
342603109	ZINC000617006715	ref	5.19	-40.48	1	254.374	1.4	2	2	3	C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
365650769	ZINC000565417669	ref	7.27	-15.16	0	273.34	1.263	1	5	5	C[C@@H](C(=O)NC[C@@H]1C[C@H]1C1CCC1)n1cnc(C#N)n1
219048752	ZINC000097695575	ref	4.78	-7.98	0	341.198	2.805	2	4	3	O=C(Nc1cccnc1N1CCOCC1)c1cc(Cl)c(Cl)[nH]1
342603110	ZINC000617006715	mid	5.9	-41.28	1	254.374	1.4	2	2	3	C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342603111	ZINC000617006715	high	3.13	-10.1	0	254.374	1.4	1	3	3	C[C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1CCN1C(C)(C)C
219048754	ZINC000097696299	ref	3.39	-13.94	0	344.386	2.557	3	3	4	O=C(Nc1cccc(-c2cccc(F)c2)c1)N1C[C@@H](CO)[C@H](CO)C1
342603112	ZINC000590879606	ref	1.29	-11.52	0	274.32	1.545	3	4	3	N#Cc1cc(O)cc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1
342603113	ZINC000590879606	mid	2.03	-37.4	-1	274.32	1.545	2	4	3	N#Cc1cc([O-])cc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1
342603114	ZINC000617006296	ref	5.76	-37.56	1	296.333	1.943	2	2	5	CO[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F
214201481	ZINC000293807037	ref	2.17	-23.07	0	355.402	0.56	3	6	8	Cn1ncc(CCCNC(=O)CCNC(=O)c2[nH]nc3ccccc23)n1
365650782	ZINC000053299141	ref	7.45	-105.28	2	295.814	1.594	2	1	5	C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)cc1
342603115	ZINC000617006296	mid	4.64	-38.19	1	296.333	1.943	2	2	5	CO[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F
342603116	ZINC000617006296	high	2.75	-7.15	0	296.333	1.943	1	3	5	CO[C@@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)C(F)(F)F
342603117	ZINC000617006618	ref	4.97	-38.94	1	268.401	1.79	2	2	5	CCOC1CC(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)C1
342603118	ZINC000617006618	mid	6.21	-39.18	1	268.401	1.79	2	2	5	CCOC1CC(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)C1
342603119	ZINC000617006618	high	3.19	-9.43	0	268.401	1.79	1	3	5	CCOC1CC(C(=O)NC[C@@H]2CCN2C(C)(C)C)C1
365650792	ZINC000053299141	mid	7.46	-105.38	2	295.814	1.594	2	1	5	C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Cl)cc1
398249972	ZINC000380355627	mid	7.15	-37.02	1	211.28	2.851	1	1	5	C[C@@H](CF)[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1
214201486	ZINC000053845848	ref	6.9	-10.06	0	339.704	3.581	1	3	2	O=c1[nH]c(Cc2ncc(C(F)(F)F)cc2Cl)nc2ccccc12
178325733	ZINC000237686302	ref	3.67	-48.4	1	365.861	1.536	2	4	6	O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCCCN1CC[NH2+]CC1
178325734	ZINC000237704124	ref	5.43	-52.35	1	363.483	1.863	2	3	3	Cc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1N1CCCS1(=O)=O
197610723	ZINC000163083792	ref	9.02	-20.46	0	315.377	1.481	2	5	4	Cn1cnnc1NC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1
342603120	ZINC000590879294	ref	5.18	-21.38	0	298.346	1.419	2	4	5	CNC(=O)C[C@@H](C)NC(=O)c1cc2ccccc2n1CC#N
178325739	ZINC000237688491	ref	7.78	-50.7	-1	363.389	1.757	1	6	8	Cc1nn(C)c(C)c1CCC(=O)NC[C@H](Oc1ccc(F)cc1)C(=O)[O-]
178325742	ZINC000237682552	ref	8.35	-55.1	-1	361.373	1.944	0	6	4	Cc1cc(C)n(-c2ccc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2F)n1
178325746	ZINC000237704922	ref	10.08	-66.78	-1	353.382	1.414	1	7	6	Cc1cccc(C[C@H](CNC(=O)c2nc3nccc(C)n3n2)C(=O)[O-])c1
178325748	ZINC000237685738	ref	4.76	-61.23	1	368.275	1.964	2	2	4	Cc1cc(N2C[C@@H](C(=O)NCC(C)(C)[NH3+])CC2=O)ccc1Br
178325750	ZINC000237701005	ref	10.12	-56.92	-1	367.405	1.4	1	6	7	Cn1c(=O)n(CC(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])c2ccccc21
178325753	ZINC000237692274	ref	5.96	-39.01	1	351.397	1.685	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2cc(F)cc(F)c2)C1)[C@H]1CCC[NH2+]1
178325757	ZINC000237689775	ref	5.14	-60.55	1	365.499	1.399	1	3	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC[NH2+]CC3)c2)C1
342603121	ZINC000590879607	ref	2.63	-13.04	0	292.335	1.149	2	5	4	COC(=O)c1cncc(C(=O)NC[C@@H]2CCCC[C@H]2O)c1
342603122	ZINC000590879309	ref	6.12	-12.39	0	291.347	1.558	1	4	6	CCC1(CNC(=O)c2cccc(CC(=O)OC)c2)COC1
365650762	ZINC000336563420	ref	4.35	-12.15	0	289.375	2.176	1	3	2	CC1(C)[C@@H](O)CCN1C(=O)c1cccc([C@H]2CCOC2)c1
214201490	ZINC000053825359	ref	10.98	-18.21	0	327.428	2.742	0	4	3	Cc1ccc2ncn(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)c(=O)c2c1
219048755	ZINC000286550078	ref	4.93	-18.05	0	324.381	1.908	0	6	3	Cc1noc([C@@H]2CCCN2C(=O)CN(C)C(=O)OC(C)(C)C)n1
342603123	ZINC000617006635	ref	6.32	-39.69	1	293.415	1.636	2	4	3	CC(C)(C)n1cnc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1
398249974	ZINC000380360203	ref	5.3	-6.49	0	221.197	2.848	1	1	5	FC(F)CN[C@@H](c1ccccc1)C(F)F
342603124	ZINC000617006635	mid	7.58	-39.29	1	293.415	1.636	2	4	3	CC(C)(C)n1cnc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1
342603125	ZINC000617006635	mid	4.79	-13.47	0	293.415	1.636	1	5	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1ncn(C(C)(C)C)n1
197610734	ZINC000163079839	ref	5.28	-16.11	0	308.447	2.283	2	3	8	CC(C)CCSCC(=O)N[C@](C)(C(N)=O)c1ccccc1
197610736	ZINC000163077322	ref	5.49	-23.07	0	307.806	2.196	1	4	3	Cc1cc(C)n(Cc2ccc(C(N)=S)cc2Cl)c(=O)n1
342603126	ZINC000617006308	ref	4.69	-35.44	1	291.395	1.952	3	2	4	CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1
342603127	ZINC000617006308	mid	5.25	-35.78	1	291.395	1.952	3	2	4	CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1
342603128	ZINC000617006308	high	2.39	-14.29	0	291.395	1.952	2	3	4	CCc1c[nH]c(=O)c(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1
306234768	ZINC000557932036	ref	2.45	-8.69	0	347.459	1.976	2	5	4	C[C@H]1CCC[C@@]1(O)CNC(=O)c1cc(N2C[C@@H](C)O[C@H](C)C2)ccn1
219048757	ZINC000097695932	ref	8.11	-43.59	-1	335.4	2.724	0	5	6	COc1cccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2CC(C)C)c1OC
219048758	ZINC000097696253	ref	-0.4	-12.11	0	343.347	-0.34	2	8	3	O=C(c1cn[nH]n1)N1CCN(Cc2cccc3nonc23)C[C@H](O)C1
365650764	ZINC000623090278	high	0.82	-8.86	0	306.328	1.783	1	4	9	CN(CCO)CCN(C)Cc1cccc(F)c1OC(F)F
365650773	ZINC000623091187	ref	7.2	-84.99	2	305.466	1.363	3	2	8	C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N(C)CC[NH+](C)CCO
178325743	ZINC000040835498	ref	2.98	-7.33	0	206.266	3.135	2	3	1	Cc1ccc(-c2ccc(O)c(O)c2)s1
219048761	ZINC000097696253	mid	2.2	-47.46	1	343.347	-0.34	3	7	3	O=C(c1cn[nH]n1)N1CC[N@H+](Cc2cccc3nonc23)C[C@H](O)C1
197610748	ZINC000163076639	ref	4.3	-47.64	1	304.232	2.208	1	3	7	COCCn1ncc(Br)c1CC[C@H]([NH3+])C(C)C
342603129	ZINC000617006582	ref	7.06	-43.99	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1
342603130	ZINC000617006582	mid	5.89	-44.79	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1
342603131	ZINC000617006582	mid	7.06	-36.93	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1
342603132	ZINC000617006582	mid	5.89	-40.3	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1
178325754	ZINC000015441810	ref	9.21	-45.56	-1	200.306	3.951	0	1	1	Cc1ccc(-c2ccc([S-])cc2)cc1
230239759	ZINC000343124325	ref	0.63	-12.01	0	283.328	-1.09	2	4	5	CC(C)C(=O)N[C@H](CO)C(=O)N1CC(=O)N(C2CC2)C1
178325758	ZINC000015441810	mid	8.67	-3.27	0	200.306	3.951	1	1	1	Cc1ccc(-c2ccc(S)cc2)cc1
398249973	ZINC000145631378	ref	2.85	-45.97	1	287.363	1.358	2	4	4	COc1cccc2c(N3CC[NH+](CCO)CC3)ccnc12
342090079	ZINC000600318014	ref	6.13	-13.36	0	268.313	1.415	0	5	4	COC(=O)[C@H](C)N(C)C(=O)[C@H](C)c1c(C)noc1C
398249977	ZINC000145631378	mid	0.51	-10.56	0	287.363	1.358	1	5	4	COc1cccc2c(N3CCN(CCO)CC3)ccnc12
349536132	ZINC000621245253	ref	4.07	-10.97	0	266.316	2.308	2	2	2	C[C@@H]1CCN(C(=O)Nc2cccc(F)c2)C[C@H]1CO
365650767	ZINC000641614960	ref	2.68	-9.01	0	293.392	1.76	1	6	2	CCc1cc2c(N3CCOC[C@H](O)C3)nc(C)nc2s1
365650777	ZINC000641615250	ref	1.61	-6.58	0	268.313	1.633	1	5	1	O[C@H]1COCCN(c2nc3ccc(F)cc3s2)C1
342090080	ZINC000621366664	ref	7.98	-12.26	0	298.35	1.781	0	7	4	COc1nc(C)cc(C)c1CN(C)c1ccc2nncn2n1
365650783	ZINC000641615053	ref	2.68	-10.09	0	284.319	1.823	2	5	4	NC(=O)c1nccnc1Nc1ccc([C@H]2CCOC2)cc1
178325772	ZINC000065343037	ref	6.29	-5.0	0	218.683	4.021	1	1	1	Cc1ccc(-c2ccc(O)c(Cl)c2)cc1
178325775	ZINC000065343037	mid	7.05	-41.46	-1	218.683	4.021	0	1	1	Cc1ccc(-c2ccc([O-])c(Cl)c2)cc1
398249980	ZINC000145631378	low	3.33	-83.9	2	287.363	1.358	2	3	4	COc1cccc2c(N3CC[NH+](CCO)CC3)cc[nH+]c12
178325781	ZINC000029388761	ref	4.04	-12.47	0	235.308	2.394	1	2	2	Cc1ccc(-c2ccc(S(C)(=O)=O)cc2)[nH]1
398249984	ZINC000569677288	ref	6.99	-6.17	0	291.395	1.815	1	4	4	O=C(CCn1cccn1)N1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O
398249987	ZINC000650876106	ref	4.74	-13.79	0	280.372	1.482	1	4	4	CC[C@@H]1COC(C)(C)CN1C(=O)NCCn1cccn1
342090081	ZINC000600318020	ref	7.21	-13.82	0	298.383	1.043	0	4	6	CCC[C@@H](C)N1C[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC)CC1=O
398249990	ZINC000650872971	ref	1.32	-10.88	0	273.308	1.372	3	4	6	Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H](CO)CCF
398249994	ZINC000145634421	ref	3.4	-13.33	0	296.392	1.969	2	3	6	CCC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]2C)cc1
178325813	ZINC000016948397	ref	5.63	-56.42	-1	218.208	2.659	1	4	2	Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)o1
178325818	ZINC000020267835	ref	5.78	-43.1	1	201.269	3.275	1	1	2	Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)cc1
178325823	ZINC000020267835	high	5.44	-5.34	0	201.269	3.275	1	2	2	Cc1ccc(-c2ccc([C@H](C)N)o2)cc1
178325825	ZINC000065341934	ref	7.33	-8.8	0	246.693	3.834	1	2	2	Cc1ccc(-c2ccc(O)c(C=O)c2)cc1Cl
342090082	ZINC000621366609	ref	6.44	-33.12	1	296.455	1.975	2	2	5	C[C@@H]1CC[N@H+](CC(=O)N(C)CC2CCCCC2)C[C@H]1CO
342090083	ZINC000621366609	mid	6.9	-35.78	1	296.455	1.975	2	2	5	C[C@@H]1CC[N@@H+](CC(=O)N(C)CC2CCCCC2)C[C@H]1CO
214201489	ZINC000293807037	mid	2.14	-21.6	0	355.402	0.56	3	6	8	Cn1ncc(CCCNC(=O)CCNC(=O)c2n[nH]c3ccccc23)n1
214201495	ZINC000293801849	ref	4.6	-14.54	0	359.386	0.679	2	7	7	CCOC(=O)c1ccccc1NC(=O)C(=O)NCCCc1cnn(C)n1
342090084	ZINC000621366609	mid	4.71	-9.34	0	296.455	1.975	1	3	5	C[C@@H]1CCN(CC(=O)N(C)CC2CCCCC2)C[C@H]1CO
342090085	ZINC000600318031	ref	8.01	-43.24	1	296.367	1.755	1	4	7	CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC)o1
214201501	ZINC000293806177	ref	1.69	-17.1	0	360.819	0.929	1	5	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
342090086	ZINC000600318031	mid	5.56	-9.07	0	296.367	1.755	0	5	7	CCN(CC)Cc1ccc(C(=O)N(C)[C@@H](C)C(=O)OC)o1
342090087	ZINC000600318019	ref	7.23	-12.82	0	298.383	1.043	0	4	6	CCC[C@@H](C)N1C[C@H](C(=O)N(C)[C@@H](C)C(=O)OC)CC1=O
214201509	ZINC000293794957	ref	4.58	-27.77	0	368.397	0.523	2	6	3	Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@H](c2nc(=O)[nH][nH]2)C1
365650768	ZINC000336563263	ref	7.44	-13.18	0	278.4	2.183	1	3	3	C[C@H]1CCC[C@@H](C)N(C(=O)NCCc2cnn(C)c2)C1
342090088	ZINC000600318021	ref	5.59	-11.93	0	277.324	1.289	1	5	5	COC(=O)[C@H](C)N(C)C(=O)c1ccc(NC2CC2)nc1
342090089	ZINC000600318015	ref	5.96	-13.25	0	268.313	1.415	0	5	4	COC(=O)[C@H](C)N(C)C(=O)[C@@H](C)c1c(C)noc1C
342090090	ZINC000426383815	ref	7.76	-12.07	0	277.368	1.691	0	4	3	C[C@@]1(C(=O)N2CCC(Cn3ccnc3)CC2)CCCO1
342090091	ZINC000426383815	low	8.27	-39.48	1	277.368	1.691	0	3	3	C[C@@]1(C(=O)N2CCC(Cn3cc[nH+]c3)CC2)CCCO1
342090092	ZINC000600318013	ref	6.79	-14.68	0	295.335	1.232	0	5	7	COC(=O)[C@H](C)N(C)C(=O)COCc1ccc(OC)cc1
342090093	ZINC000121856216	ref	5.23	-11.3	0	299.378	1.756	0	6	4	C[C@@]1(c2ccccc2)CN(Cc2nnnn2C2CC2)CCO1
342090094	ZINC000600318030	ref	3.57	-17.17	0	278.264	1.167	1	5	3	COC(=O)[C@H](C)N(C)C(=O)c1ccc2[nH]c(=O)oc2c1
342090095	ZINC000600318016	ref	5.91	-10.81	0	284.743	1.772	1	4	5	COC(=O)[C@H](C)N(C)C(=O)CNc1ccccc1Cl
342090096	ZINC000426383816	ref	7.77	-11.06	0	277.368	1.691	0	4	3	C[C@]1(C(=O)N2CCC(Cn3ccnc3)CC2)CCCO1
342090097	ZINC000426383816	low	8.28	-40.18	1	277.368	1.691	0	3	3	C[C@]1(C(=O)N2CCC(Cn3cc[nH+]c3)CC2)CCCO1
342090098	ZINC000621366680	ref	-1.74	-8.62	0	253.346	1.643	1	5	4	CCc1nnc([C@H](C)N2CC[C@@H](C)[C@H](CO)C2)o1
178325760	ZINC000237689775	mid	3.86	-10.21	0	365.499	1.399	1	4	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCNCC3)c2)C1
398249975	ZINC000286795992	mid	5.97	-26.91	1	237.347	2.574	1	3	6	CCOC(C)(C)CNc1cc(C)[nH+]c(CC)n1
398249978	ZINC000183642724	ref	3.08	-39.92	1	242.363	1.291	2	2	6	CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C(N)=O)C1(C)C
178325766	ZINC000237685827	ref	6.43	-56.82	-1	369.215	1.701	1	4	5	Cc1cc(N2C[C@@H](C(=O)NCCC(=O)[O-])CC2=O)ccc1Br
178325769	ZINC000237704815	ref	6.47	-52.24	-1	352.387	1.873	1	5	6	Cn1cc(S(=O)(=O)NCC2(c3ccc(F)cc3)CC2)cc1C(=O)[O-]
178325771	ZINC000237689899	ref	3.88	-63.21	1	365.499	1.526	1	3	3	C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC[C@H]([NH3+])C3)c2)C1
178325776	ZINC000237693845	ref	5.41	-50.98	1	363.483	1.863	2	3	3	Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1N1CCCS1(=O)=O
178325778	ZINC000237684609	ref	4.84	-56.38	1	356.426	1.577	2	4	5	Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
178325782	ZINC000237701141	ref	2.94	-51.04	1	361.421	1.22	2	5	8	O=C(CCCc1nc(-c2ccc(F)cc2)no1)NCCN1CC[NH2+]CC1
178325784	ZINC000237693676	ref	4.94	-52.92	1	355.442	1.108	2	4	5	Cc1cc(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)nn1-c1ccccc1
178325787	ZINC000237684720	ref	4.27	-40.56	1	350.488	1.48	2	4	4	Cc1nc(C)c(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1
398249981	ZINC000062619183	ref	-1.48	-17.9	0	200.194	-1.046	1	4	1	O=C1N[C@@H](C(=O)N2CCOCC2)CO1
178325791	ZINC000237695153	ref	4.09	-59.36	1	359.451	1.932	1	3	3	CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC[C@H]4C[NH3+])ccc1c23
178325794	ZINC000237694109	ref	4.46	-47.67	1	363.483	1.764	3	3	5	Cc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1S(=O)(=O)NC1CC1
178325796	ZINC000237696179	ref	3.37	-59.7	1	359.451	1.835	2	3	4	CN1C(=O)c2cccc3c(S(=O)(=O)N[C@H]4CCC[C@@H]4C[NH3+])ccc1c23
178325798	ZINC000237704472	ref	4.04	-47.5	1	354.248	1.812	3	2	4	Cc1cc(NC(=O)CNC(=O)C2CC[NH2+]CC2)ccc1Br
178325802	ZINC000237700138	ref	4.98	-45.64	1	364.534	1.297	1	3	3	C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C1
178325804	ZINC000237700138	high	5.38	-12.78	0	364.534	1.297	1	4	3	C[C@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C3(N)CCCCC3)CC2)C1
342090099	ZINC000621366680	mid	0.31	-34.45	1	253.346	1.643	2	4	4	CCc1nnc([C@H](C)[N@@H+]2CC[C@@H](C)[C@H](CO)C2)o1
342090100	ZINC000621366680	mid	0.21	-35.79	1	253.346	1.643	2	4	4	CCc1nnc([C@H](C)[N@H+]2CC[C@@H](C)[C@H](CO)C2)o1
365650770	ZINC000625121638	mid	2.43	-10.65	0	320.437	2.002	1	5	7	CCCCNC(=O)[C@H]1CC[C@H](C)N(Cc2cncc(OC)n2)C1
197610747	ZINC000290143904	ref	4.32	-11.74	0	295.404	1.946	1	3	5	CC[C@]1(CNS(=O)(=O)C2CC2)OCCc2ccccc21
342090101	ZINC000600318017	ref	7.62	-14.15	0	275.304	1.995	0	4	4	COC(=O)[C@H](C)N(C)C(=O)Cc1cc2ccccc2o1
342104047	ZINC000609356473	ref	1.34	-14.12	0	281.312	1.206	2	5	4	COC(=O)C1CCC(NC(=O)NCc2cocn2)CC1
124847475	ZINC000364595695	ref	5.8	-59.25	1	320.458	2.657	1	3	4	COc1ccc(S[C@@H](C)C(=O)N2[C@H]3CC[C@@H]2C[C@@H]([NH3+])C3)cc1
342104676	ZINC000616412935	ref	6.55	-11.28	0	290.338	1.751	1	2	4	CN1C(=O)CC[C@@H]1CC(=O)N[C@H]1C[C@]1(F)c1ccccc1
342104677	ZINC000616413106	ref	3.33	-10.61	0	258.281	1.02	1	5	3	COc1ccc2ncc(C(=O)N[C@H]3CC34CC4)n2n1
214201493	ZINC000053841734	ref	10.68	-23.32	0	349.46	2.628	0	7	7	CCCCc1c(C)nc2nc(SCCN3CCOC3=O)nn2c1C
214201498	ZINC000053836392	ref	10.07	-27.67	0	330.348	0.829	1	7	6	O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@H]1CCN(c2ccccc2)C1
214201503	ZINC000053825719	ref	8.84	-18.41	0	341.411	1.875	0	5	2	Cc1ccc2ncn(CC(=O)N3CCO[C@H]4CCCC[C@H]43)c(=O)c2c1
214201506	ZINC000053844392	ref	7.39	-11.22	0	335.36	1.585	0	6	5	COC(=O)[C@H]1CCCCN1CC(=O)N(C)c1ccc([N+](=O)[O-])cc1
342104678	ZINC000616412840	ref	4.86	-7.22	0	290.338	1.945	1	3	3	O=C(N[C@H]1CC12CC2)c1cc(F)cc(N2CCOCC2)c1
342104679	ZINC000047684891	ref	5.03	-41.72	1	285.432	1.687	3	2	6	CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C(C)C)C1
342104680	ZINC000047684891	mid	4.93	-38.59	1	285.432	1.687	3	2	6	CC(C)C[N@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C(C)C)C1
342104681	ZINC000047684891	mid	3.21	-7.6	0	285.432	1.687	2	3	6	CC(C)CN1CCO[C@H](CNC(=O)N[C@@H](C)C(C)C)C1
342104682	ZINC000619927692	ref	4.28	-8.31	0	253.342	1.583	0	3	1	C[C@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCOC1
342104683	ZINC000616412900	ref	6.8	-14.58	0	299.374	1.812	2	2	4	O=C(CN1CC[C@H](c2ccccc2)NC1=O)N[C@@H]1CC12CC2
342104684	ZINC000616413273	ref	6.88	-13.18	0	256.305	1.244	1	2	3	O=C(CN1C(=O)Cc2ccccc21)N[C@H]1CC12CC2
342104685	ZINC000616413241	ref	6.49	-17.0	0	257.293	1.962	1	4	3	Cn1cc(C(=O)N[C@H]2CC23CC3)c(-c2ccco2)n1
342104686	ZINC000616413181	ref	6.21	-14.76	0	252.358	1.596	2	2	6	CC(=O)N[C@H](CCC(C)C)C(=O)N[C@H]1CC12CC2
342104687	ZINC000616413330	ref	4.72	-6.07	0	293.285	1.639	1	3	4	O=C(N[C@@H]1CC12CC2)[C@@H](C[C@H]1COCCO1)C(F)(F)F
342090102	ZINC000046884580	ref	1.35	-11.96	0	293.367	1.537	2	4	5	COc1cccc(NC(=O)NC[C@@H](C)N2CCOCC2)c1
342090103	ZINC000046884580	low	3.49	-46.78	1	293.367	1.537	3	3	5	COc1cccc(NC(=O)NC[C@@H](C)[NH+]2CCOCC2)c1
342090104	ZINC000600318397	ref	5.44	-11.48	0	257.33	1.211	0	4	4	CC[C@H]1C[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC)CCO1
342090105	ZINC000616318695	ref	2.92	-8.05	0	283.397	1.23	2	5	4	CCNc1nc(C(=O)N2CCC[C@H](CO)[C@H]2C)cs1
342090106	ZINC000616318695	high	1.93	-33.87	-1	283.397	1.23	1	4	3	CCN=c1[n-]c(C(=O)N2CCC[C@H](CO)[C@H]2C)cs1
342090107	ZINC000600318362	ref	8.45	-11.37	0	285.384	1.992	0	4	6	CC[C@H]1CCCC[C@H]1OCC(=O)N(C)[C@@H](C)C(=O)OC
342090108	ZINC000046884588	ref	1.51	-8.8	0	293.367	1.537	2	4	5	COc1ccccc1NC(=O)NC[C@@H](C)N1CCOCC1
342090109	ZINC000046884588	low	3.65	-42.22	1	293.367	1.537	3	3	5	COc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCOCC1
214201500	ZINC000337658456	ref	3.21	-18.3	0	295.408	0.824	2	4	8	C[S@@](=O)CCCNC(=O)c1ccc(NCC2CC2)nc1
365650772	ZINC000124391518	ref	8.41	-8.76	0	298.477	2.422	1	3	4	C#CCN(C(=O)NC[C@@H]1CSCCS1)C1CCCC1
342090110	ZINC000616318551	ref	3.88	-11.04	0	282.771	1.897	1	3	3	C[C@@H]1[C@@H](CO)CCCN1C(=O)Cc1ccncc1Cl
342090111	ZINC000616318572	ref	1.54	-8.32	0	255.343	1.08	1	5	2	Cc1nnc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)s1
342090112	ZINC000600318352	ref	5.36	-8.98	0	256.327	1.393	0	5	3	COC(=O)[C@H](C)N(C)C(=O)c1nc(C)c(C)s1
365650784	ZINC000124398018	ref	5.31	-7.65	0	264.325	2.015	1	5	4	COC(=O)c1ccc(NCC2CCOCC2)nc1C
365650810	ZINC000124431135	ref	6.97	-8.9	0	297.395	2.184	1	4	6	CCOC(=O)[C@@H]1CC[C@H](NC(=O)CC[C@@H]2CCCCO2)C1
342090113	ZINC000600318357	ref	6.51	-9.3	0	271.357	1.602	0	4	5	CC[C@H]1C[C@@H](CC(=O)N(C)[C@@H](C)C(=O)OC)CCO1
342090114	ZINC000600318393	ref	5.39	-14.58	0	288.303	1.574	1	4	3	COC(=O)[C@H](C)N(C)C(=O)c1c[nH]c(=O)c2ccccc12
342090115	ZINC000616318733	ref	4.0	-12.77	0	274.324	1.142	2	4	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ncnc2[nH]ccc12
342090116	ZINC000600318150	ref	5.15	-11.06	0	293.245	1.079	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1ccnn1CC(F)(F)F
342090117	ZINC000616318688	ref	5.44	-18.8	0	294.399	1.754	2	4	4	Cc1nnc(CC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)[nH]1
192340790	ZINC000421455628	ref	6.99	-8.17	0	245.322	3.214	1	2	4	CCOc1cccc(NC(=O)[C@]23CCC[C@H]2C3)c1
342090118	ZINC000616318688	mid	4.89	-13.51	0	294.399	1.754	2	4	4	Cc1nc(CC(=O)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)n[nH]1
365650826	ZINC000124402286	ref	4.7	-10.61	0	279.384	2.245	1	4	3	Cc1cc(C(=O)NC[C@@]2(C)CCCO2)nn1C(C)(C)C
365650774	ZINC000336563322	ref	3.92	-8.49	0	271.426	2.218	0	3	2	CC1(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)CCC1
342090119	ZINC000121890286	ref	6.0	-13.62	0	261.354	1.628	0	6	3	c1nc(C2CC2)sc1CN1CCn2cnnc2C1
342090120	ZINC000616318573	ref	1.54	-9.19	0	255.343	1.08	1	5	2	Cc1nnc(C(=O)N2CCC[C@H](CO)[C@@H]2C)s1
222609630	ZINC000283752406	ref	5.78	-7.25	0	304.39	1.915	1	3	8	C=CCCOCCNC(=O)C(=O)N(C)[C@@H](C)c1ccccc1
342090121	ZINC000616318692	ref	4.25	-13.71	0	277.368	1.134	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2nc[nH]c2C1
342090122	ZINC000616318692	mid	4.23	-13.02	0	277.368	1.134	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2[nH]cnc2C1
342090123	ZINC000616318692	low	4.71	-43.29	1	277.368	1.134	2	2	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1
342090124	ZINC000616318692	low	4.7	-43.4	1	277.368	1.134	2	2	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1
342090125	ZINC000616318523	ref	4.41	-13.16	0	285.347	1.863	1	4	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc2cccnc2n1
342090126	ZINC000616318544	ref	3.93	-11.13	0	262.353	1.552	1	3	3	Cc1ccncc1CC(=O)N1CCC[C@H](CO)[C@H]1C
342090127	ZINC000616318559	ref	4.34	-10.18	0	291.376	1.924	1	5	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ncnc2ccsc12
342090128	ZINC000618612869	ref	4.46	-14.27	0	290.335	1.213	1	3	3	C[C@]1(CNC(=O)[C@]23CCC(=O)N2CCS3)CC1(F)F
342090129	ZINC000616318547	ref	3.93	-11.76	0	262.353	1.552	1	3	3	Cc1ccncc1CC(=O)N1CCC[C@@H](CO)[C@@H]1C
342090130	ZINC000616318574	ref	1.59	-8.38	0	255.343	1.08	1	5	2	Cc1nnc(C(=O)N2CCC[C@H](CO)[C@H]2C)s1
342090131	ZINC000616318560	ref	4.19	-10.67	0	291.376	1.924	1	5	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ncnc2ccsc12
342090132	ZINC000600318380	ref	8.55	-9.92	0	288.347	1.779	0	4	6	COC(=O)[C@H](C)N(C)C(=O)[C@@H](C#N)CCc1ccccc1
342090133	ZINC000600318380	mid	8.55	-9.92	0	288.347	1.779	0	4	6	COC(=O)[C@H](C)N(C)C(=O)C(C#N)CCc1ccccc1
342090134	ZINC000046884578	ref	1.33	-12.22	0	293.367	1.537	2	4	5	COc1cccc(NC(=O)NC[C@H](C)N2CCOCC2)c1
342090135	ZINC000046884578	low	3.51	-46.03	1	293.367	1.537	3	3	5	COc1cccc(NC(=O)NC[C@H](C)[NH+]2CCOCC2)c1
342090136	ZINC000600318358	ref	6.3	-8.89	0	271.357	1.602	0	4	5	CC[C@H]1C[C@H](CC(=O)N(C)[C@@H](C)C(=O)OC)CCO1
342090137	ZINC000600318364	ref	4.64	-27.06	0	283.349	1.058	0	4	4	COC(=O)[C@H](C)N(C)C(=O)c1cccc([S@@](C)=O)c1
342090138	ZINC000616318548	ref	3.84	-12.23	0	282.771	1.897	1	3	3	C[C@H]1[C@@H](CO)CCCN1C(=O)Cc1ccncc1Cl
178325806	ZINC000237685426	ref	10.19	-62.12	-1	353.382	1.414	1	7	6	Cc1cccc(C[C@@H](CNC(=O)c2nc3nccc(C)n3n2)C(=O)[O-])c1
178325808	ZINC000237686409	ref	3.86	-57.89	1	354.248	1.575	2	2	5	Cc1cc(N2C[C@H](C(=O)NCCC[NH3+])CC2=O)ccc1Br
342603133	ZINC000617006582	low	7.53	-85.36	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1
342603134	ZINC000617006582	low	6.36	-84.01	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1
342603135	ZINC000617006582	low	7.52	-85.75	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1
342603136	ZINC000617006582	low	6.36	-84.33	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1
342603137	ZINC000617006582	high	4.29	-10.67	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1
197610766	ZINC000163088477	ref	8.05	-12.07	0	315.442	3.37	1	3	2	O=C(c1ccc[nH]1)N1CCC[C@@H](c2nc3c(s2)CCCC3)C1
342603138	ZINC000617006582	high	4.3	-10.66	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1
342603139	ZINC000617006309	ref	6.72	-35.77	1	287.367	1.512	3	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc12
178325811	ZINC000237704886	ref	10.78	-61.18	-1	367.409	1.723	1	7	6	Cc1cccc(C[C@H](CNC(=O)c2nc3nc(C)cc(C)n3n2)C(=O)[O-])c1
178325815	ZINC000237698326	ref	7.55	-51.86	1	362.499	1.662	2	4	4	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@H]3CSCC[NH2+]3)C2)nc1
342603140	ZINC000617006309	mid	5.22	-38.47	1	287.367	1.512	3	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc12
178325817	ZINC000237698326	high	6.51	-22.1	0	362.499	1.662	2	5	4	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[C@H]3CSCCN3)C2)nc1
178325820	ZINC000237695124	ref	3.89	-59.22	1	359.451	1.932	1	3	3	CN1C(=O)c2cccc3c(S(=O)(=O)N4CCCC[C@@H]4C[NH3+])ccc1c23
178325822	ZINC000237701221	ref	10.2	-57.02	-1	367.405	1.4	1	6	7	Cn1c(=O)n(CC(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])c2ccccc21
282123806	ZINC000248982488	high	3.24	-10.1	0	310.825	1.701	2	3	6	C[C@@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2)[C@H]1CO
342603141	ZINC000617006309	high	3.66	-10.59	0	287.367	1.512	2	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1ncnc2[nH]ccc12
342603142	ZINC000617006908	ref	5.43	-37.93	1	267.398	1.675	2	3	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cc1cscn1
323005606	ZINC000561690080	ref	4.55	-9.31	0	215.268	1.562	1	2	3	O=C(C[C@H]1CCCO1)N[C@@H]1CCC[C@@H]1F
342603143	ZINC000617006908	mid	3.93	-40.45	1	267.398	1.675	2	3	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cc1cscn1
197610781	ZINC000163087059	ref	2.3	-17.86	0	314.345	2.002	2	4	2	Cc1ccc(NC(=O)N2CCNC(=O)[C@@H]2C)cc1-c1ncco1
214201502	ZINC000278510744	mid	7.89	-47.55	1	320.433	1.991	2	3	7	Cc1ccc(OCC(=O)NCCC[N@H+]2CCCO[C@H](C)C2)cc1
214201505	ZINC000278510744	high	5.7	-11.97	0	320.433	1.991	1	4	7	Cc1ccc(OCC(=O)NCCCN2CCCO[C@H](C)C2)cc1
342603144	ZINC000617006908	high	2.37	-10.98	0	267.398	1.675	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)Cc1cscn1
342603145	ZINC000590881543	ref	3.71	-9.43	0	294.307	1.507	1	5	3	COc1cc(C(=O)N2CC[C@@H](O)[C@H]2C)cc([N+](=O)[O-])c1C
342603146	ZINC000617006734	ref	4.48	-40.26	1	266.385	1.566	2	2	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603147	ZINC000617006734	mid	5.6	-39.98	1	266.385	1.566	2	2	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342603148	ZINC000617006734	high	2.59	-8.86	0	266.385	1.566	1	3	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCN1C(C)(C)C
214201507	ZINC000278509834	ref	4.34	-15.76	0	324.446	2.462	1	4	5	CC1(CC(=O)NCc2ncccc2S(C)(=O)=O)CCCCC1
342603149	ZINC000590879312	ref	2.22	-11.23	0	260.293	1.42	2	4	4	CCC1(CNC(=O)c2cc(O)cc(C#N)c2)COC1
342603150	ZINC000590879312	mid	2.97	-36.06	-1	260.293	1.42	1	4	4	CCC1(CNC(=O)c2cc([O-])cc(C#N)c2)COC1
342603151	ZINC000617006307	ref	5.31	-35.57	1	291.395	1.952	3	2	4	CCc1c[nH]c(=O)c(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1
342603152	ZINC000617006307	mid	4.71	-35.32	1	291.395	1.952	3	2	4	CCc1c[nH]c(=O)c(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1
192340137	ZINC000081926993	ref	9.18	-20.83	0	320.422	1.143	1	6	3	CN(CC(=O)N1CCSC(C)(C)C1)c1ncnc2nc[nH]c12
342603153	ZINC000617006307	high	4.0	-23.15	0	291.395	1.952	2	3	4	CCc1c[nH]c(=O)c(C(=O)NC[C@H]2CCN2C(C)(C)C)c1
342603154	ZINC000617006735	ref	5.52	-40.19	1	266.385	1.566	2	2	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
342603155	ZINC000617006735	mid	4.37	-40.03	1	266.385	1.566	2	2	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
192340139	ZINC000081926993	mid	9.52	-16.13	0	320.422	1.143	1	6	3	CN(CC(=O)N1CCSC(C)(C)C1)c1ncnc2[nH]cnc12
192340142	ZINC000081923748	ref	3.41	-14.26	0	303.383	2.062	1	4	3	N[C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)Cc1ccccc1
192340144	ZINC000081923748	mid	3.92	-50.08	1	303.383	2.062	1	3	3	[NH3+][C@@H]1c2ccccc2OC[C@H]1S(=O)(=O)Cc1ccccc1
192340148	ZINC000081923746	ref	3.78	-12.89	0	303.383	2.062	1	4	3	N[C@H]1c2ccccc2OC[C@H]1S(=O)(=O)Cc1ccccc1
342603156	ZINC000617006735	high	2.48	-8.61	0	266.385	1.566	1	3	4	C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCN1C(C)(C)C
178325826	ZINC000237691549	ref	3.0	-15.65	0	360.458	1.344	3	4	4	Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3COCCN3)C2)cc1
178325829	ZINC000237691549	mid	4.24	-45.99	1	360.458	1.344	3	3	4	Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)[C@@H]3COCC[NH2+]3)C2)cc1
178325832	ZINC000237698200	ref	6.48	-55.09	1	360.458	1.336	2	4	6	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C[NH2+]C[C@H]3CCCO3)C2)nc1
178325834	ZINC000237698200	high	5.15	-16.69	0	360.458	1.336	2	5	6	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)CNC[C@H]3CCCO3)C2)nc1
178325838	ZINC000237695912	ref	3.36	-59.4	1	359.451	1.835	2	3	4	CN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H]4CCC[C@H]4C[NH3+])ccc1c23
342603157	ZINC000617006769	ref	5.36	-43.62	1	292.383	1.016	2	4	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCOC2
178325840	ZINC000237692069	ref	5.68	-45.34	1	356.875	1.865	2	4	5	O=C(C[C@H]1CSCC[NH2+]1)NCCc1cc(Cl)c2c(c1)OCCO2
178325842	ZINC000237692069	high	4.62	-14.66	0	356.875	1.865	2	5	5	O=C(C[C@H]1CSCCN1)NCCc1cc(Cl)c2c(c1)OCCO2
178325844	ZINC000237701830	ref	4.51	-53.12	-1	357.457	1.247	1	7	7	Cc1nn(C)c(C)c1CCNS(=O)(=O)c1ccc(CC(=O)[O-])s1
178325847	ZINC000237701830	high	4.12	-101.82	-2	357.457	1.247	0	7	7	Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccc(CC(=O)[O-])s1
178325850	ZINC000237685478	ref	5.4	-53.45	1	358.398	1.858	2	6	6	Cc1noc(CCC(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)n1
178325855	ZINC000237689954	ref	5.67	-64.53	1	366.527	1.928	1	3	7	Cc1ccc(CCC2CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)CC2)cc1
178325858	ZINC000237689954	mid	5.36	-18.55	0	366.527	1.928	1	4	7	Cc1ccc(CCC2CCN(C(=O)[C@@H](N)CCS(C)(=O)=O)CC2)cc1
342603158	ZINC000617006769	mid	3.91	-45.91	1	292.383	1.016	2	4	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cnc2n1CCOC2
178325860	ZINC000237695072	ref	4.08	-61.48	1	359.451	1.789	1	3	3	CN1C(=O)c2cccc3c(S(=O)(=O)N4CCC(C[NH3+])CC4)ccc1c23
178325862	ZINC000237702425	ref	4.65	-53.13	1	356.426	1.577	2	4	5	Cc1ccc(-c2cc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)on2)cc1
178325864	ZINC000237699560	ref	4.09	-14.46	0	359.455	1.796	2	6	4	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3csc(CN)n3)C2)nc1
342603159	ZINC000617006769	high	2.48	-10.08	0	292.383	1.016	1	5	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1cnc2n1CCOC2
349536135	ZINC000621245172	ref	6.34	-38.29	1	267.417	2.206	3	1	5	CC1CC(CNC(=O)NCC[N@@H+]2CCCC[C@H]2C)C1
214201504	ZINC000337660782	ref	5.46	-20.69	0	253.331	0.409	1	6	7	CCSCCCNC(=O)Cn1cnc(C#N)n1
214201508	ZINC000337660940	ref	1.22	-18.76	0	298.355	0.867	2	3	6	CCS(=O)(=O)NCC(=O)NC[C@@H]1CCCC(F)(F)C1
214201512	ZINC000337659775	ref	6.76	-25.81	0	297.322	0.802	2	6	5	Cc1nc(-c2cccc(C(=O)NCCn3cncn3)c2)n[nH]1
214201515	ZINC000337661018	ref	6.7	-24.71	0	274.28	0.495	1	6	5	COC(=O)c1cccc(C(=O)NCCn2cncn2)c1
214201520	ZINC000337659864	ref	5.51	-12.57	0	278.315	2.34	3	2	4	N#Cc1ccc(C(=O)NCCc2cccc3[nH]ccc23)[nH]1
214201523	ZINC000337659150	ref	7.19	-9.14	0	260.328	3.006	1	1	4	CCN(C(=O)NC[C@H]1CCCC(F)(F)C1)C1CC1
214201527	ZINC000337658558	ref	2.32	-20.96	0	258.281	0.647	3	2	3	CC(=O)N[C@@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1
214201531	ZINC000337659097	ref	8.37	-12.29	0	275.396	3.447	1	3	6	CCC[C@@H](C)CC(=O)Nc1ccc(N2CCCC2)cn1
214201534	ZINC000337660619	ref	2.63	-9.15	0	278.343	2.272	3	2	6	CCC[C@@H](O)CNC(=O)NC[C@@H]1CCCC(F)(F)C1
342090139	ZINC000616318690	ref	4.26	-12.56	0	277.368	1.134	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2nc[nH]c2C1
342090140	ZINC000616318690	mid	4.25	-11.85	0	277.368	1.134	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1
282123807	ZINC000151695132	ref	3.19	-22.66	0	318.373	2.182	3	4	5	O=C(NCCC[C@H]1CCCC[C@H]1O)c1cccc2[nH]c(=O)oc12
342090141	ZINC000616318690	low	4.73	-41.89	1	277.368	1.134	2	2	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1
342090142	ZINC000616318690	low	4.72	-42.01	1	277.368	1.134	2	2	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1
342090143	ZINC000616318524	ref	4.47	-12.52	0	285.347	1.863	1	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc2cccnc2n1
342090144	ZINC000046884586	ref	1.51	-8.82	0	293.367	1.537	2	4	5	COc1ccccc1NC(=O)NC[C@H](C)N1CCOCC1
342090145	ZINC000046884586	low	3.66	-42.0	1	293.367	1.537	3	3	5	COc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCOCC1
342090146	ZINC000616318556	ref	2.14	-11.73	0	273.283	1.511	1	4	3	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccnn1C(F)F
342090147	ZINC000616318545	ref	3.9	-12.9	0	262.353	1.552	1	3	3	Cc1ccncc1CC(=O)N1CCC[C@@H](CO)[C@H]1C
342090148	ZINC000089454175	ref	1.22	-11.29	0	276.336	1.013	3	3	4	Cc1ccc(CC(=O)N[C@@H]2CCC[C@@H]2C(N)=O)cc1O
342090149	ZINC000600318376	ref	4.69	-9.13	0	266.297	1.576	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1coc(C2CCC2)n1
178325827	ZINC000065341934	high	8.33	-48.87	-1	246.693	3.834	0	2	2	Cc1ccc(-c2ccc([O-])c(C=O)c2)cc1Cl
178325830	ZINC000028826017	ref	8.78	-14.38	0	234.302	3.914	0	2	1	Cc1ccc(-c2ccc3cccnc3n2)cc1C
178325836	ZINC000065341818	ref	6.94	-9.46	0	230.238	3.319	1	2	2	Cc1ccc(-c2ccc(O)c(C=O)c2)cc1F
178325841	ZINC000065341818	high	7.94	-49.05	-1	230.238	3.319	0	2	2	Cc1ccc(-c2ccc([O-])c(C=O)c2)cc1F
398249976	ZINC000380196429	ref	2.74	-42.42	1	242.363	1.45	2	2	6	CCC(CC)(C[NH2+][C@@H]1CCCNC(=O)C1)OC
398249979	ZINC000380326983	ref	5.41	-48.81	-1	212.224	1.363	1	4	6	O=C([O-])c1ccc(NCCCCF)nc1
398249982	ZINC000380326983	low	5.88	-44.25	0	212.224	1.363	1	3	6	O=C([O-])c1ccc(NCCCCF)[nH+]c1
398249983	ZINC000380282552	ref	3.01	-49.47	1	202.298	0.609	1	2	7	CCO[C@H](CC)C(=O)N(C)CCC[NH3+]
178325856	ZINC000082730144	ref	6.76	-5.2	0	212.296	3.256	1	2	1	Cc1ccc(-c2ccc(N)nc2C)cc1C
214201510	ZINC000053837839	ref	8.27	-17.41	0	344.367	2.745	1	5	8	COCc1ccc(CNC(=O)COc2cccc([N+](=O)[O-])c2C)cc1
178325859	ZINC000082730144	mid	7.18	-28.12	1	212.296	3.256	1	1	1	Cc1ccc(-c2ccc(N)[nH+]c2C)cc1C
214201514	ZINC000053825356	ref	10.48	-17.83	0	327.428	2.742	0	4	3	Cc1ccc2ncn(CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)c(=O)c2c1
349536136	ZINC000621498912	ref	7.74	-9.81	0	272.339	3.029	1	1	5	CN(C[C@H]1CC=CCC1)C(=O)NCC[C@@H]1CC1(F)F
178325861	ZINC000016947251	ref	8.62	-6.64	0	207.276	4.143	1	0	1	Cc1ccc(-c2ccc3[nH]ccc3c2)cc1
342090150	ZINC000600318375	ref	8.42	-41.07	1	284.4	1.661	1	3	6	COC(=O)[C@H](C)N(C)C(=O)CC[N@H+](C)C1CCCCC1
342090151	ZINC000600318375	mid	8.42	-41.22	1	284.4	1.661	1	3	6	COC(=O)[C@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1
342090152	ZINC000616318697	ref	2.9	-9.22	0	283.397	1.23	2	5	4	CCNc1nc(C(=O)N2CCC[C@H](CO)[C@@H]2C)cs1
185095105	ZINC000096090764	ref	10.59	-39.24	1	276.399	3.24	1	1	3	C[NH+](C)C[C@@H]1CCC[C@@H]2CN(c3ccccc3F)C[C@@H]21
178325870	ZINC000016947093	ref	8.97	-4.44	0	211.308	3.728	0	1	2	Cc1ccc(-c2ccc(N(C)C)cc2)cc1
178325872	ZINC000065350080	ref	9.4	-53.27	-1	248.228	3.638	0	2	2	Cc1ccc(-c2ccc(F)cc2C(=O)[O-])cc1F
398249986	ZINC000380357909	ref	3.28	-48.83	1	200.282	0.386	1	2	8	C=CCCOCC(=O)N(C)CCC[NH3+]
178325877	ZINC000038069045	ref	8.82	-5.71	0	233.314	4.397	1	1	1	Cc1ccc(-c2ccc3ccccc3c2)cc1N
178325879	ZINC000096151862	ref	4.9	-9.43	0	236.274	3.311	1	3	1	Cc1ccc(-c2ccc(O)cn2)c2cccnc12
398249988	ZINC000380352443	ref	2.44	-44.07	1	213.321	1.164	2	2	5	OC1CC(C[NH2+]CCC2CCOCC2)C1
342603160	ZINC000617006294	ref	4.64	-38.07	1	296.333	1.943	2	2	5	CO[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F
214201511	ZINC000278511573	ref	5.73	-49.46	-1	312.42	1.967	0	6	5	CCc1ccc(S(=O)(=O)[N-]c2cc(N(C)C)ncn2)s1
290624445	ZINC000352152056	ref	4.35	-9.19	0	269.366	2.48	0	3	2	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3ccoc3)C2)C1
342603161	ZINC000617006294	mid	5.89	-38.07	1	296.333	1.943	2	2	5	CO[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F
342603162	ZINC000617006294	high	2.86	-6.73	0	296.333	1.943	1	3	5	CO[C@@H](CC(=O)NC[C@@H]1CCN1C(C)(C)C)C(F)(F)F
342603163	ZINC000617006533	ref	5.97	-32.47	1	265.332	1.823	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(F)cn1
299072532	ZINC000354604129	low	2.64	-50.9	1	326.347	0.774	3	3	6	NC(=O)c1ccc(CNC(=O)C2CC[NH+](CC(F)F)CC2)cn1
342603164	ZINC000617006533	mid	4.45	-34.93	1	265.332	1.823	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1ccc(F)cn1
342603165	ZINC000617006533	high	2.89	-6.27	0	265.332	1.823	1	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1ccc(F)cn1
342603166	ZINC000617006664	ref	5.34	-41.95	1	284.791	1.676	2	3	3	Cn1ncc(Cl)c1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
197610825	ZINC000163075234	ref	6.2	-18.12	0	305.422	2.214	1	3	3	Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@H](C)C[C@H](C)C1
365650776	ZINC000625121714	ref	1.98	-9.22	0	302.168	2.309	2	3	5	CO[C@H](C)CCNC(=O)c1cc(O)cc(Br)c1
342603167	ZINC000617006664	mid	4.5	-43.84	1	284.791	1.676	2	3	3	Cn1ncc(Cl)c1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603168	ZINC000617006664	high	2.52	-8.05	0	284.791	1.676	1	4	3	Cn1ncc(Cl)c1C(=O)NC[C@H]1CCN1C(C)(C)C
282123808	ZINC000533475293	ref	0.66	-19.04	0	291.351	1.41	3	3	3	C[C@@H](O)[C@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
185091606	ZINC000096081409	ref	11.85	-98.23	2	288.41	2.989	2	0	4	Fc1ccccc1C[N@@H+]1C[C@H]2CC[NH+](CC3CC3)C[C@H]2C1
342603169	ZINC000590879605	ref	5.32	-13.26	0	297.395	1.633	2	4	4	COC(=O)[C@H]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[C@H]1O
342603170	ZINC000590881531	ref	3.87	-17.18	0	281.283	1.208	1	4	2	COC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)c(F)c1
197610839	ZINC000163087524	ref	7.76	-18.36	0	319.773	2.325	1	5	3	NC(=S)c1ccc(Cn2c(=O)oc3cccnc32)c(Cl)c1
197610841	ZINC000163087927	ref	7.03	-9.64	0	307.415	2.681	0	4	5	COc1cc(/C=C/C(=O)N(C)[C@@H]2CCSC2)cc(OC)c1
342603171	ZINC000617006273	ref	3.97	-40.14	1	291.395	1.831	2	3	5	COCc1cncc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1
282123815	ZINC000533475347	ref	1.98	-6.41	0	255.358	1.301	2	3	2	C[C@H](O)[C@H]1CCCN(C(=O)C2(O)CCCCC2)C1
342090153	ZINC000616318697	high	1.91	-34.76	-1	283.397	1.23	1	4	3	CCN=c1[n-]c(C(=O)N2CCC[C@H](CO)[C@@H]2C)cs1
342090154	ZINC000618612870	ref	4.46	-13.42	0	290.335	1.213	1	3	3	C[C@]1(CNC(=O)[C@@]23CCC(=O)N2CCS3)CC1(F)F
342090155	ZINC000616318550	ref	3.83	-11.53	0	282.771	1.897	1	3	3	C[C@@H]1[C@H](CO)CCCN1C(=O)Cc1ccncc1Cl
342090156	ZINC000616318558	ref	4.35	-8.97	0	291.376	1.924	1	5	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1ncnc2ccsc12
342090157	ZINC000616318516	ref	2.97	-7.45	0	283.412	1.937	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@]1(O)CCCC(C)(C)C1
342090158	ZINC000600318381	ref	8.69	-11.9	0	288.347	1.779	0	4	6	COC(=O)[C@H](C)N(C)C(=O)[C@H](C#N)CCc1ccccc1
342090159	ZINC000600318381	mid	8.55	-9.92	0	288.347	1.779	0	4	6	COC(=O)[C@H](C)N(C)C(=O)C(C#N)CCc1ccccc1
178328105	ZINC000237749317	high	7.9	-14.53	0	374.51	1.936	1	6	3	C[C@H]1CN(C(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)[C@@H](C)CN1
168365671	ZINC000368507598	ref	5.72	-46.01	1	333.378	3.196	3	2	5	O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@H+](CC[C@@H](O)c2ccccc2)C1
178328108	ZINC000237757178	ref	3.37	-48.16	1	354.248	1.295	3	2	5	C[C@]1(C(=O)NCCNC(=O)c2cccc(Br)c2)CC[NH2+]C1
178328111	ZINC000237756153	ref	7.9	-61.04	-1	351.366	1.813	0	7	3	Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])nnn1-c1cccc2ncccc12
178328114	ZINC000237747513	ref	5.57	-52.61	1	373.476	1.582	2	4	7	Cc1nn(-c2ccc(F)cc2)c(C)c1CC(=O)NCCCN1CC[NH2+]CC1
178328117	ZINC000237755690	ref	2.21	-63.32	0	365.377	1.724	2	3	6	Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)ccc1[N-]S(=O)(=O)C(F)(F)F
178328120	ZINC000237755235	ref	5.52	-50.35	1	350.426	1.935	1	5	3	Cc1c(C(=O)N2CCC[C@H](C[NH3+])C2)nnn1-c1ccc2ncccc2c1
342090160	ZINC000616318519	ref	3.0	-10.74	0	283.412	1.937	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@]1(O)CCCC(C)(C)C1
178328124	ZINC000237746402	ref	4.55	-11.26	0	373.478	1.483	1	5	2	Cc1c(C(=O)N2CCN(C(=O)[C@H]3COCCN3)CC2)sc2ccccc12
178328126	ZINC000237746402	mid	5.81	-45.24	1	373.478	1.483	1	4	2	Cc1c(C(=O)N2CCN(C(=O)[C@H]3COCC[NH2+]3)CC2)sc2ccccc12
214201513	ZINC000293794957	mid	3.74	-64.67	-1	368.397	0.523	1	6	3	Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1
342090161	ZINC000616318732	ref	4.11	-12.34	0	274.324	1.142	2	4	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ncnc2[nH]ccc12
342090162	ZINC000600318363	ref	4.64	-15.98	0	283.349	1.058	0	4	4	COC(=O)[C@H](C)N(C)C(=O)c1cccc([S@](C)=O)c1
342603172	ZINC000617006273	mid	5.23	-39.13	1	291.395	1.831	2	3	5	COCc1cncc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1
214201517	ZINC000293800827	ref	1.24	-20.19	0	356.423	0.738	3	5	7	CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)NC1=O
168365673	ZINC000368507598	mid	6.47	-47.51	1	333.378	3.196	3	2	5	O[C@H]1C[C@H](c2ccc(F)c(F)c2)[N@@H+](CC[C@@H](O)c2ccccc2)C1
168365676	ZINC000368507598	mid	4.61	-7.77	0	333.378	3.196	2	3	5	O[C@H]1C[C@H](c2ccc(F)c(F)c2)N(CC[C@@H](O)c2ccccc2)C1
168365678	ZINC000368508261	ref	7.49	-22.04	0	343.431	3.407	0	6	6	CC[C@@H](C)CCC(=O)N1CCCC[C@H]1c1nc(-c2ncccn2)no1
342603173	ZINC000617006273	high	2.15	-9.0	0	291.395	1.831	1	4	5	COCc1cncc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c1
214201525	ZINC000293800827	high	-0.59	-54.14	-1	356.423	0.738	2	5	7	CC(C)(CCCNC(=O)OC(C)(C)C)NC(=O)CN1CC(=O)[N-]C1=O
342603174	ZINC000590881538	ref	5.17	-22.04	0	289.291	1.671	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1c[nH]c2cccc([N+](=O)[O-])c12
342603175	ZINC000590881536	ref	4.81	-8.03	0	283.368	1.482	1	4	4	COC(=O)CC1(CC(=O)N2CC[C@@H](O)[C@H]2C)CCCC1
295666996	ZINC000336574084	ref	7.12	-17.3	0	284.425	1.741	0	3	2	CS[C@H]1CCCCN(C(=O)[C@H]2CCCN2C(C)=O)C1
214201529	ZINC000293798687	ref	4.27	-17.39	0	372.469	0.855	1	6	7	Cc1c(CC(=O)N2CCN(C[C@H](O)COc3ccccc3)CC2)cnn1C
214201535	ZINC000293798687	low	6.52	-58.35	1	372.469	0.855	2	5	7	Cc1c(CC(=O)N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)cnn1C
214201540	ZINC000293794026	ref	4.23	-14.19	0	358.416	0.474	1	7	9	CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@H](OC)C2CC2)cn1C
342603176	ZINC000617006580	ref	7.39	-41.72	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1
214201548	ZINC000293804940	ref	6.35	-26.89	0	367.413	0.563	3	6	7	C[C@@H](c1ccccc1)[C@@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)C(N)=O
214201553	ZINC000293804940	mid	6.69	-21.91	0	367.413	0.563	3	6	7	C[C@@H](c1ccccc1)[C@@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)C(N)=O
197610821	ZINC000290144382	ref	7.64	-50.16	1	290.382	2.596	1	1	2	Cc1cc(F)cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c1
214201556	ZINC000293804934	ref	6.35	-23.44	0	367.413	0.563	3	6	7	C[C@H](c1ccccc1)[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)C(N)=O
178325866	ZINC000237699560	mid	4.49	-65.33	1	359.455	1.796	2	5	4	Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)c3csc(C[NH3+])n3)C2)nc1
342090163	ZINC000616318744	ref	3.21	-17.29	0	291.347	1.828	2	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)cc1O
219048763	ZINC000286550693	ref	4.24	-11.25	0	309.435	2.241	3	3	3	CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)NCc1ccsc1
219048767	ZINC000286550124	ref	1.65	-15.43	0	317.349	1.417	1	7	4	CNc1ccc(C(=O)N2C[C@@H](OC)C[C@@H]2c2nc(C)no2)cn1
282123809	ZINC000449156423	mid	2.0	-7.65	0	273.336	2.042	1	5	7	COc1nccnc1CNC[C@@H](C)Oc1ccccc1
282123813	ZINC000449156653	ref	4.17	-12.6	0	292.383	2.239	1	6	8	CCc1ccc([C@H](COC)NCc2c(C)nnn2CC)o1
219048770	ZINC000286548845	ref	2.11	-10.61	0	310.781	1.737	1	4	2	O=C(c1ccncc1Cl)N1CCOC[C@@H]1[C@H]1CCC[C@@H]1O
178325868	ZINC000237694690	ref	5.58	-44.81	1	364.534	1.215	2	3	5	C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1
178325869	ZINC000237684987	ref	9.91	-62.92	-1	353.382	1.933	1	7	5	Cc1cc(C)n2nc(C(=O)N[C@@H](c3ccccc3)[C@@H](C)C(=O)[O-])nc2n1
219048774	ZINC000286548712	ref	3.06	-45.11	1	314.813	1.586	3	3	9	C[C@@H](OC[C@@H](O)C[N@H+](C)CCC(N)=O)c1ccc(Cl)cc1
219048782	ZINC000286548712	mid	3.05	-46.71	1	314.813	1.586	3	3	9	C[C@@H](OC[C@@H](O)C[N@@H+](C)CCC(N)=O)c1ccc(Cl)cc1
219048784	ZINC000286548712	high	0.71	-11.67	0	314.813	1.586	2	4	9	C[C@@H](OC[C@@H](O)CN(C)CCC(N)=O)c1ccc(Cl)cc1
178325871	ZINC000237685230	ref	4.32	-43.15	1	360.502	1.76	2	3	4	Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)c1C
398249985	ZINC000336780048	ref	3.62	-45.56	1	222.332	1.752	2	2	7	CCc1ccc(C[NH2+]C[C@@H](C)CCO)cn1
178325873	ZINC000237685230	high	3.97	-15.12	0	360.502	1.76	2	4	4	Cc1cccc(NC(=O)CN2CCN(C(=O)[C@@H](N)C(C)(C)C)CC2)c1C
214201522	ZINC000278510445	ref	6.8	-14.05	0	311.389	2.617	2	5	6	CN(C)c1ccc(NC(=O)c2ccc(NCC3CC3)nc2)nc1
219048788	ZINC000286550712	ref	8.12	-16.35	0	313.401	2.014	1	3	4	CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)Cn1ccc2ccccc21
214201528	ZINC000278510353	ref	2.21	-7.79	0	310.253	1.152	2	5	3	COC(=O)c1ccsc1NC(=O)C(=O)NCC(F)(F)F
214201532	ZINC000278509901	ref	8.14	-18.69	0	300.402	3.151	1	2	4	CCC(=O)N1CC[C@@H](C(=O)Nc2ccc(C3CCC3)cc2)C1
214201536	ZINC000278510215	ref	3.83	-10.97	0	318.402	2.041	2	5	6	CCn1cc(NC(=O)CSc2ccccc2C)c(C(N)=O)n1
219048791	ZINC000286548853	ref	2.46	-10.01	0	310.781	1.737	1	4	2	O=C(c1ccncc1Cl)N1CCOC[C@@H]1[C@@H]1CCC[C@H]1O
342090164	ZINC000616318744	high	4.23	-50.95	-1	291.347	1.828	1	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)cc1[O-]
214201519	ZINC000053836394	ref	10.09	-26.88	0	330.348	0.829	1	7	6	O=C(Cn1cnc([N+](=O)[O-])n1)NC[C@@H]1CCN(c2ccccc2)C1
398249989	ZINC000286667391	ref	4.19	-3.59	0	226.064	1.929	0	1	4	C#CCCN(C)CC(F)(F)Br
342090165	ZINC000600318366	ref	7.44	-14.97	0	293.319	1.036	0	5	5	COC(=O)Cc1cccc(C(=O)N(C)[C@@H](C)C(=O)OC)c1
214201524	ZINC000053836302	ref	11.23	-24.59	0	349.366	2.619	1	6	6	CC(C)(C)C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc(F)cc1
214201526	ZINC000053825291	ref	8.39	-13.25	0	337.408	2.61	0	7	3	Cc1ccc2ncn(Cc3csc(-c4cnn(C)c4)n3)c(=O)c2c1
214201530	ZINC000053830937	ref	6.97	-46.34	1	326.259	3.632	1	2	5	COc1ccccc1C[C@@H]([NH3+])Cc1ccc(Br)s1
214201533	ZINC000053838878	ref	4.15	-18.86	0	348.424	2.986	2	4	7	CCC(=O)Nc1ccc(CS(=O)(=O)Nc2ccc(OC)cc2)cc1
197610832	ZINC000290145198	ref	2.95	-9.27	0	263.326	1.079	1	6	4	Cn1nccc1CNC(=O)c1snnc1C1CC1
214201537	ZINC000053837941	ref	8.26	-17.17	0	344.367	2.745	1	5	8	COCc1cccc(CNC(=O)COc2cccc([N+](=O)[O-])c2C)c1
214201542	ZINC000053836425	ref	10.25	-24.43	0	333.348	1.682	1	7	9	CCCCOc1cccc(CNC(=O)Cn2cnc([N+](=O)[O-])n2)c1
214201544	ZINC000053828185	ref	9.69	-47.88	1	344.705	4.537	1	1	5	C[NH2+][C@H](Cc1cccc(Br)c1)Cc1ccc(Cl)s1
214201547	ZINC000053824445	ref	10.54	-11.42	0	335.477	2.726	0	6	6	Cc1cc2nnc(SCC(=O)N(C)[C@H](C)CC(C)C)n2c(C)n1
259310648	ZINC000087357054	mid	5.7	-39.68	1	242.363	1.402	2	2	6	CC(C)[N@@H+](C)CCNC(=O)C[C@@H]1CCCCO1
342090166	ZINC000616318517	ref	3.09	-8.91	0	283.412	1.937	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@]1(O)CCCC(C)(C)C1
342090167	ZINC000621367388	ref	4.57	-32.32	1	256.39	1.192	2	2	4	CC(C)N(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342090168	ZINC000621367388	mid	4.34	-34.49	1	256.39	1.192	2	2	4	CC(C)N(C)C(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342090169	ZINC000621367388	high	1.93	-8.58	0	256.39	1.192	1	3	4	CC(C)N(C)C(=O)[C@H](C)N1CC[C@@H](C)[C@@H](CO)C1
342090170	ZINC000083168847	ref	1.37	-15.64	0	292.295	1.304	1	6	6	CCNC(=O)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1
342090171	ZINC000083168847	low	3.39	-53.58	1	292.295	1.304	2	5	6	CCNC(=O)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1
342090172	ZINC000083168847	low	3.63	-53.22	1	292.295	1.304	2	5	6	CCNC(=O)C[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1
342090173	ZINC000616318557	ref	4.38	-9.11	0	291.376	1.924	1	5	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ncnc2ccsc12
342090174	ZINC000616318505	ref	2.95	-16.29	0	297.399	1.108	2	3	3	CN1C[C@H](C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)NC1=O
365650778	ZINC000623091187	mid	6.93	-84.97	2	305.466	1.363	3	2	8	C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N(C)CC[NH+](C)CCO
178325875	ZINC000237684035	ref	5.17	-45.3	1	364.534	1.215	2	3	5	C[C@H]1CCC[C@@H](NC(=O)CN2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C1
365650786	ZINC000623091187	mid	6.69	-82.59	2	305.466	1.363	3	2	8	C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N(C)CC[N@H+](C)CCO
365650790	ZINC000623091187	mid	6.73	-82.49	2	305.466	1.363	3	2	8	C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N(C)CC[N@@H+](C)CCO
365650794	ZINC000623091187	high	4.85	-37.73	1	305.466	1.363	2	3	8	C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N(C)CCN(C)CCO
178325876	ZINC000237695878	ref	3.54	-63.27	1	359.451	1.835	2	3	4	CN1C(=O)c2cccc3c(S(=O)(=O)N[C@@H]4CCC[C@@H]4C[NH3+])ccc1c23
178325878	ZINC000237683658	ref	6.94	-89.18	2	362.522	1.607	3	4	5	Cc1c(C(=O)N[C@@H](C)C[N@@H+]2C[C@@H](C)C[C@@H](C)C2)nnn1C1CC[NH2+]CC1
178325880	ZINC000237683658	mid	7.07	-89.75	2	362.522	1.607	3	4	5	Cc1c(C(=O)N[C@@H](C)C[N@H+]2C[C@@H](C)C[C@@H](C)C2)nnn1C1CC[NH2+]CC1
178325881	ZINC000237683658	high	4.61	-49.99	1	362.522	1.607	2	5	5	Cc1c(C(=O)N[C@@H](C)CN2C[C@@H](C)C[C@@H](C)C2)nnn1C1CC[NH2+]CC1
178325882	ZINC000237703424	ref	4.13	-54.99	1	367.375	1.526	2	4	5	O=C(NCCN1CC[NH2+]CC1)c1cccc(-n2ccc(C(F)(F)F)n2)c1
178325884	ZINC000237695618	ref	4.71	-11.23	0	358.486	1.089	2	2	5	C[C@@H](C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)[C@H]([NH3+])c1ccccc1
178325886	ZINC000237695618	high	5.02	-47.74	1	358.486	1.089	1	3	5	C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H]([NH3+])c1ccccc1
178325887	ZINC000237695618	high	4.71	-11.23	0	358.486	1.089	1	4	5	C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](N)c1ccccc1
178325888	ZINC000237690543	ref	2.97	-15.27	0	360.458	1.344	3	4	4	Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3COCCN3)C2)cc1
178325890	ZINC000237690543	mid	4.28	-45.71	1	360.458	1.344	3	3	4	Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)[C@H]3COCC[NH2+]3)C2)cc1
178325891	ZINC000237684967	ref	5.78	-47.79	1	358.398	1.858	2	6	7	Cc1noc(CCC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)n1
365650800	ZINC000623091187	high	4.58	-37.61	1	305.466	1.363	2	3	8	C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N(C)CCN(C)CCO
365650804	ZINC000623089476	ref	-0.01	-13.94	0	322.39	1.231	1	6	4	CCc1noc(CN2c3ccc(S(N)(=O)=O)cc3C[C@H]2C)n1
342090175	ZINC000616318739	ref	2.28	-16.27	0	281.287	1.187	2	3	4	CCOc1ccc(NC(=O)[C@@H]2CN(C)C(=O)N2)c(F)c1
282123810	ZINC000245547085	ref	2.09	-9.77	0	298.427	1.898	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C
214201543	ZINC000278510444	ref	6.06	-9.82	0	316.239	3.226	1	6	4	Cc1noc(C)c1CNc1cc(C(F)(F)F)ncc1[N+](=O)[O-]
214201546	ZINC000278511830	ref	4.18	-11.5	0	317.292	3.094	1	5	4	CC(=O)Nc1nc(COc2ccnc(C(F)(F)F)c2)cs1
214201550	ZINC000278510700	ref	6.17	-10.55	0	306.793	3.285	2	2	2	Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@H]1CCOC[C@H]1C
214201554	ZINC000278510431	ref	7.11	-18.51	0	313.85	2.642	0	2	5	CC[S@](=O)CC(=O)N1CCC[C@H]1Cc1ccccc1Cl
342090176	ZINC000616318525	ref	4.43	-13.1	0	285.347	1.863	1	4	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc2cccnc2n1
214201563	ZINC000278510277	ref	4.04	-13.38	0	319.34	1.341	0	6	3	Cc1c(C(=O)N2CCC(Oc3ncccc3F)CC2)nnn1C
214201566	ZINC000278510460	ref	7.5	-44.0	1	304.394	2.848	3	4	4	CC(C)[NH+]1CCC(Nc2c([N+](=O)[O-])ccc3c2CCN3)CC1
214201573	ZINC000278511706	ref	5.89	-13.44	0	304.398	1.696	1	7	7	CC[C@@H](COC)Nc1cnn(Cc2nnc3n2CCCC3)c1
214201577	ZINC000278511676	ref	3.76	-48.38	1	312.801	1.654	3	3	3	C[C@H]1C[N@H+](C[C@@H](C)O)CCN1C(=O)Nc1ccnc(Cl)c1
197610847	ZINC000290144708	ref	6.97	-48.14	1	265.422	3.242	2	2	4	Cc1cc(C[NH2+]C[C@H]2CCCSC2)cc(C)c1O
214201580	ZINC000278511676	mid	3.52	-49.34	1	312.801	1.654	3	3	3	C[C@H]1C[N@@H+](C[C@@H](C)O)CCN1C(=O)Nc1ccnc(Cl)c1
214201583	ZINC000278511676	mid	1.3	-9.19	0	312.801	1.654	2	4	3	C[C@H]1CN(C[C@@H](C)O)CCN1C(=O)Nc1ccnc(Cl)c1
214201587	ZINC000278510305	ref	7.02	-21.6	0	301.306	1.659	0	7	5	CN(C(=O)CCc1nc(-c2ccco2)no1)c1nccn1C
342090177	ZINC000600318351	ref	8.14	-13.78	0	294.307	1.718	0	5	5	COC(=O)[C@H](C)N(C)C(=O)[C@H](C)c1cccc([N+](=O)[O-])c1
342090178	ZINC000616318571	ref	1.53	-9.1	0	255.343	1.08	1	5	2	Cc1nnc(C(=O)N2CCC[C@@H](CO)[C@H]2C)s1
342090179	ZINC000600318394	ref	5.67	-8.8	0	256.327	1.339	0	5	4	CCc1cnc(C(=O)N(C)[C@@H](C)C(=O)OC)s1
342090180	ZINC000621367389	ref	4.64	-35.12	1	256.39	1.192	2	2	4	CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1
342090181	ZINC000621367389	mid	4.41	-31.79	1	256.39	1.192	2	2	4	CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@@H](CO)C1
342090182	ZINC000621367389	high	2.06	-11.63	0	256.39	1.192	1	3	4	CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](C)[C@@H](CO)C1
342090183	ZINC000083169463	ref	3.87	-13.2	0	293.279	1.731	0	7	6	CCOC(=O)CN(C)Cc1nc2cc([N+](=O)[O-])ccc2o1
342090184	ZINC000616318691	ref	4.15	-13.19	0	277.368	1.134	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2nc[nH]c2C1
342090185	ZINC000616318691	mid	4.14	-12.38	0	277.368	1.134	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH]cnc2C1
178325885	ZINC000032002923	ref	6.26	-52.85	-1	228.247	3.066	1	3	2	Cc1ccc(-c2ccc(O)cc2)c(C(=O)[O-])c1
178325889	ZINC000065341484	ref	6.59	-9.11	0	243.693	3.893	1	2	1	Cc1ccc(-c2ccc(O)c(C#N)c2)cc1Cl
178325892	ZINC000065341484	high	7.37	-40.96	-1	243.693	3.893	0	2	1	Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1Cl
365650779	ZINC000336563665	ref	8.18	-11.85	0	299.349	2.442	0	3	3	Cc1cc(F)cc2c1CN(C(=O)CCc1ncccn1)CC2
398249991	ZINC000380355623	ref	5.93	-4.32	0	211.28	2.851	1	2	5	C[C@@H](CF)NCc1ccc([C@@H]2C[C@@H]2C)o1
214201541	ZINC000337659479	ref	-0.64	-13.4	0	279.34	0.485	4	3	6	CCc1c(C(=O)NC[C@H](O)C2CC2)[nH]c(C)c1C(N)=O
214201545	ZINC000337659570	ref	3.63	-7.91	0	276.325	0.647	0	8	2	Cc1nc(Cn2nnc3c(cnn3C)c2=O)c(C)s1
178325894	ZINC000111506788	ref	7.7	-7.22	0	203.197	3.163	0	3	2	Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1
178325897	ZINC000049815856	ref	6.31	-43.21	1	215.296	3.583	1	1	2	Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)cc1C
197610843	ZINC000163075352	ref	5.84	-18.73	0	305.422	2.214	1	3	3	Cc1nc(=O)[nH]c(C)c1CCC(=O)N1CC[C@@H](C)C[C@H](C)C1
398249993	ZINC000380355623	mid	7.15	-36.93	1	211.28	2.851	1	1	5	C[C@@H](CF)[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1
303960138	ZINC000563545871	ref	5.47	-47.72	1	303.406	1.726	2	2	4	COCc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1
214201549	ZINC000337659712	ref	4.38	-8.14	0	264.331	3.439	0	6	4	c1csc(-c2noc(COc3ccsc3)n2)c1
214201552	ZINC000337660881	ref	5.73	-14.66	0	263.366	2.436	2	3	6	CCSCCCNC(=O)c1c[nH]c2ncccc12
214201555	ZINC000337660517	ref	1.95	-8.76	0	293.363	2.434	2	4	3	CO[C@]1(C(=O)Nc2ccc(C(C)(C)C)cc2O)CCOC1
214201557	ZINC000337660517	high	2.71	-46.14	-1	293.363	2.434	1	4	3	CO[C@]1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCOC1
214201565	ZINC000337660587	ref	6.08	-6.45	0	294.395	3.123	1	4	9	CCC(CC)[C@@H](CCNC(=O)c1cc(C2CC2)no1)OC
230239764	ZINC000343165684	ref	-5.02	-19.84	0	268.335	-1.559	3	5	10	COCCCS(=O)(=O)NCC(=O)NCCCO
342090186	ZINC000616318691	low	4.62	-43.41	1	277.368	1.134	2	2	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH+]c[nH]c2C1
342090187	ZINC000616318691	low	4.6	-43.43	1	277.368	1.134	2	2	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH]c[nH+]c2C1
342090188	ZINC000600318340	ref	6.39	-12.04	0	277.32	1.279	0	4	4	COC(=O)[C@H](C)N(C)C(=O)Cc1ccc2c(c1)COC2
342090189	ZINC000618612871	ref	4.48	-14.56	0	290.335	1.213	1	3	3	C[C@@]1(CNC(=O)[C@@]23CCC(=O)N2CCS3)CC1(F)F
342090190	ZINC000600318350	ref	8.01	-12.83	0	294.307	1.718	0	5	5	COC(=O)[C@H](C)N(C)C(=O)[C@@H](C)c1cccc([N+](=O)[O-])c1
342090191	ZINC000600318386	ref	6.22	-11.44	0	271.357	1.602	0	4	5	CCC[C@H]1C[C@@H](C(=O)N(C)[C@@H](C)C(=O)OC)CCO1
342090192	ZINC000616318549	ref	3.86	-10.16	0	282.771	1.897	1	3	3	C[C@H]1[C@H](CO)CCCN1C(=O)Cc1ccncc1Cl
365650780	ZINC000625121714	high	2.72	-39.03	-1	302.168	2.309	1	3	5	CO[C@H](C)CCNC(=O)c1cc([O-])cc(Br)c1
342090193	ZINC000146198859	ref	3.14	-47.29	-1	253.254	1.31	0	6	4	CC1(C)OC[C@H](COc2cc(C(=O)[O-])ccn2)O1
282123811	ZINC000248982006	ref	7.48	-13.39	0	324.421	1.293	0	4	3	CCC(=O)N1CCC[C@H](C(=O)N2CC[C@H](C(=O)OC)[C@@H](C)C2)C1
282123819	ZINC000248985859	ref	4.67	-16.54	0	324.377	1.835	1	6	7	CC[C@]1(C)CN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1
303960140	ZINC000412058944	mid	6.36	-46.9	1	330.432	1.358	3	2	3	CNC(=O)NC1CC[NH+](CC(=O)N2c3ccccc3C[C@@H]2C)CC1
342090194	ZINC000609080228	ref	1.13	-10.96	0	285.369	1.591	2	5	8	COCCOc1ncccc1NC(=O)NCCSC
197610864	ZINC000290143776	ref	1.62	-11.76	0	294.355	0.594	2	5	3	Cn1cc([C@@]2(C)NC(=O)N(C[C@H](O)C(C)(C)C)C2=O)cn1
212174216	ZINC000335496257	ref	4.31	-50.87	1	263.341	2.316	2	3	3	Cc1noc(C2CC2)c1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1
342090195	ZINC000600318384	ref	7.63	-10.54	0	269.341	1.258	0	4	4	COC(=O)[C@H](C)N(C)C(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C
342090196	ZINC000616318553	ref	2.07	-12.69	0	273.283	1.511	1	4	3	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccnn1C(F)F
342090197	ZINC000616318546	ref	3.88	-12.49	0	262.353	1.552	1	3	3	Cc1ccncc1CC(=O)N1CCC[C@H](CO)[C@@H]1C
212174226	ZINC000335495235	ref	4.17	-8.4	0	251.717	2.416	1	4	3	CN(Cc1nn(C)cc1Cl)c1cccc(O)c1
342090198	ZINC000200400953	ref	4.33	-38.12	1	258.365	1.996	3	2	1	C[N@@H+]1C[C@@H](CO)C[C@H]2c3cccc4c3[C@@H](CN4)C[C@H]21
342090199	ZINC000200400953	mid	4.3	-38.17	1	258.365	1.996	3	2	1	C[N@H+]1C[C@@H](CO)C[C@H]2c3cccc4c3[C@@H](CN4)C[C@H]21
342090200	ZINC000616318555	ref	2.14	-11.31	0	273.283	1.511	1	4	3	C[C@H]1[C@H](CO)CCCN1C(=O)c1ccnn1C(F)F
342090201	ZINC000621367390	ref	4.62	-35.66	1	256.39	1.192	2	2	4	CC(C)N(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)[C@H](CO)C1
342090202	ZINC000621367390	mid	4.52	-31.58	1	256.39	1.192	2	2	4	CC(C)N(C)C(=O)[C@@H](C)[N@H+]1CC[C@@H](C)[C@H](CO)C1
342090203	ZINC000621367390	high	2.49	-11.93	0	256.39	1.192	1	3	4	CC(C)N(C)C(=O)[C@@H](C)N1CC[C@@H](C)[C@H](CO)C1
342090204	ZINC000618612872	ref	4.47	-13.66	0	290.335	1.213	1	3	3	C[C@@]1(CNC(=O)[C@]23CCC(=O)N2CCS3)CC1(F)F
342090205	ZINC000600318379	ref	3.29	-13.13	0	255.245	1.165	1	4	3	COC(=O)[C@H](C)N(C)C(=O)c1ccc(O)c(F)c1
365650788	ZINC000625119641	ref	6.23	-9.67	0	303.468	2.499	0	3	6	CCO[C@@H](CS(=O)(=O)N1CC[C@@H](C(C)(C)C)C1)C1CC1
365650796	ZINC000625120389	ref	3.32	-40.97	1	305.353	2.389	2	4	4	Cc1nnc([C@H]2CCC[N@H+](Cc3cc(CO)ccc3F)C2)o1
303960141	ZINC000563544450	ref	6.94	-92.3	2	320.481	1.93	3	1	10	CC[NH+](CC)[C@H](CNC(=O)N(C)CCC[NH3+])Cc1ccccc1
365650801	ZINC000625120389	mid	2.19	-41.36	1	305.353	2.389	2	4	4	Cc1nnc([C@H]2CCC[N@@H+](Cc3cc(CO)ccc3F)C2)o1
365650805	ZINC000625120389	mid	-0.08	-10.34	0	305.353	2.389	1	5	4	Cc1nnc([C@H]2CCCN(Cc3cc(CO)ccc3F)C2)o1
365650811	ZINC000625121019	ref	3.97	-12.88	0	316.398	2.016	1	4	8	CCO[C@@H](CS(=O)(=O)N[C@H](C)c1cncc(F)c1)C1CC1
303960144	ZINC000563545906	ref	6.46	-45.89	1	317.433	1.974	2	2	5	CCOCc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1
295666997	ZINC000329575678	ref	5.72	-23.33	0	305.465	1.698	0	4	2	CS[C@H]1CCCCN(C(=O)[C@H]2CCCCS2(=O)=O)C1
290624446	ZINC000408168537	ref	8.61	-13.23	0	264.329	2.345	0	5	2	C[C@H]1CC[C@@]2(CCN(c3c([N+](=O)[O-])ncn3C)C2)C1
290624447	ZINC000368078846	ref	7.87	-9.86	0	287.407	2.941	1	2	1	C[C@H]1CC[C@@]2(CCN(C(=O)c3n[nH]c4c3CCCC4)C2)C1
365650818	ZINC000625118825	ref	8.64	-40.33	1	300.406	2.073	1	4	6	COc1ccccc1C[C@H]1CCC[N@@H+]1CCc1cn(C)nn1
365650824	ZINC000625118825	mid	8.11	-40.66	1	300.406	2.073	1	4	6	COc1ccccc1C[C@H]1CCC[N@H+]1CCc1cn(C)nn1
365650831	ZINC000625121017	ref	3.54	-12.5	0	316.398	2.016	1	4	8	CCO[C@H](CS(=O)(=O)N[C@H](C)c1cncc(F)c1)C1CC1
290624448	ZINC000336363344	ref	5.83	-9.16	0	274.364	3.204	0	3	2	C[C@H]1CC[C@@]2(CCN(C(=O)c3ocnc3C3CC3)C2)C1
290624449	ZINC000336560250	ref	7.0	-7.77	0	287.407	2.8	0	3	2	C[C@H]1CC[C@@]2(CCN(c3ccc(C(=O)N(C)C)cn3)C2)C1
342603177	ZINC000617006580	mid	5.92	-45.29	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1
295666998	ZINC000335317523	ref	5.16	-15.98	0	270.398	1.399	1	3	2	CS[C@H]1CCCCN(C(=O)[C@H]2CCCC(=O)N2)C1
306234769	ZINC000557926148	ref	5.64	-20.28	0	334.807	1.825	2	3	4	CN1C[C@H](NC(=O)NCCn2ccc3cc(Cl)ccc32)CC1=O
342603178	ZINC000617006580	mid	7.39	-37.77	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1
212174231	ZINC000335496378	ref	6.85	-7.73	0	251.37	2.329	1	2	2	C[C@@H](O)[C@H]1CCCCN1C(=O)C1CC2(CCC2)C1
212174233	ZINC000335495252	ref	3.34	-49.08	1	271.386	0.024	2	3	3	CC1(C)C[NH2+]CC[C@H]1NC(=O)CN1CSCC1=O
214201551	ZINC000053827015	ref	9.68	-15.58	0	345.428	1.694	0	8	6	Cn1c(SCCOc2cccc(C#N)c2)nnc1N1CCOCC1
342603179	ZINC000617006580	mid	5.92	-39.65	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1
342603180	ZINC000617006580	low	7.86	-81.99	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1
342603181	ZINC000617006580	low	6.38	-84.83	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1
342603182	ZINC000617006580	low	7.86	-82.25	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1
342603183	ZINC000617006580	low	6.39	-85.27	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1
342603184	ZINC000617006580	high	4.52	-11.9	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1
214201558	ZINC000053845606	ref	2.83	-10.89	0	325.338	1.892	1	5	3	Nc1nc(CN2CCN(CC(F)(F)F)CC2)nc2ccccc12
398249992	ZINC000286677504	ref	8.25	-11.51	0	231.295	1.685	0	2	6	C#CCN(Cc1ccccc1)C(=O)COCC
214201567	ZINC000053843529	ref	6.94	-29.06	0	346.364	2.488	1	7	5	CCOC(=O)c1sc2[nH]c(CC(=O)c3ccco3)nc(=O)c2c1C
214201572	ZINC000053843529	high	6.51	-48.15	-1	346.364	2.488	0	7	5	CCOC(=O)c1sc2[n-]c(CC(=O)c3ccco3)nc(=O)c2c1C
214201576	ZINC000053836099	ref	8.94	-16.99	0	338.367	2.135	1	6	3	C[C@H](NC(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1nnc2ccccn12
214201581	ZINC000053827003	ref	9.35	-41.72	1	328.25	4.461	1	1	4	C[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(C)c(F)c1
214201584	ZINC000053844136	ref	9.57	-42.28	1	343.471	2.738	2	2	5	C[N@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCCC1
214201588	ZINC000053844136	mid	9.58	-42.34	1	343.471	2.738	2	2	5	C[N@@H+](CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCCC1
214201590	ZINC000053844136	high	7.4	-13.7	0	343.471	2.738	1	3	5	CN(CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)C1CCCC1
214201593	ZINC000053841377	ref	9.14	-12.07	0	340.452	3.421	1	6	6	Cc1ccc(-n2c(SCCCO)nnc2-c2ccccn2)c(C)c1
342603185	ZINC000617006580	high	4.53	-10.47	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1
342603186	ZINC000617006630	ref	3.25	-42.47	1	292.383	1.268	2	4	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2
342603187	ZINC000617006630	mid	4.84	-42.13	1	292.383	1.268	2	4	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2
178325893	ZINC000237694598	ref	3.65	-50.87	1	350.507	1.097	2	3	4	C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3([NH3+])CCCC3)CC2)C1
178325895	ZINC000237694598	high	3.84	-12.59	0	350.507	1.097	2	4	4	C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C3(N)CCCC3)CC2)C1
398249995	ZINC000380240215	ref	7.05	-35.99	1	238.375	2.745	2	2	6	Cc1cc([C@@H](C)NC[C@H](C)C[NH+](C)C)c(C)o1
214201560	ZINC000293804934	mid	6.69	-20.07	0	367.413	0.563	3	6	7	C[C@H](c1ccccc1)[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)C(N)=O
214201564	ZINC000293804601	ref	2.08	-12.21	0	356.426	0.925	3	3	1	C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
214201568	ZINC000293804601	mid	4.46	-57.0	1	356.426	0.925	3	3	1	C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
214201570	ZINC000293804601	high	2.08	-12.21	0	356.426	0.925	2	4	1	CN1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
342603188	ZINC000617006630	high	1.93	-14.15	0	292.383	1.268	1	5	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cnn2c1OCCC2
342603189	ZINC000617006641	ref	7.2	-44.84	1	297.443	1.526	3	2	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
214201574	ZINC000293802849	ref	2.14	-20.15	0	371.415	0.54	3	6	9	O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H](CO)CC1CCC1
214201579	ZINC000293802849	high	1.87	-57.91	-1	371.415	0.54	2	6	9	O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H](CO)CC1CCC1
214201585	ZINC000293797725	ref	3.31	-19.51	0	368.401	0.596	3	7	6	Cc1nc(-c2cccc(NC(=O)C(=O)NCCCc3cnn(C)n3)c2)n[nH]1
214201594	ZINC000293798682	ref	4.21	-18.77	0	372.469	0.855	1	6	7	Cc1c(CC(=O)N2CCN(C[C@@H](O)COc3ccccc3)CC2)cnn1C
178325898	ZINC000237686328	ref	7.11	-53.36	1	361.486	1.807	1	3	4	Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1
259310650	ZINC000323063596	ref	3.04	-7.62	0	215.293	1.287	1	3	7	CC[C@](C)(CNC(=O)CCC(C)=O)OC
178325900	ZINC000237686328	high	6.78	-13.84	0	361.486	1.807	1	4	4	Cc1ccccc1O[C@@H](C)C(=O)N1CCN(C(=O)[C@@H](N)C(C)(C)C)CC1
178325903	ZINC000237700263	ref	5.2	-54.54	1	366.465	1.984	2	3	5	Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
214201596	ZINC000293798682	low	6.47	-60.42	1	372.469	0.855	2	5	7	Cc1c(CC(=O)N2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)cnn1C
178325905	ZINC000237686971	ref	7.48	-53.85	1	357.483	1.941	2	3	4	Cc1ccc(C2N=NC(=S)N2CC(=O)NC2C[C@@H]3CC[C@H](C2)[NH2+]3)cc1
342603190	ZINC000617006641	mid	6.09	-44.14	1	297.443	1.526	3	2	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603191	ZINC000617006641	high	4.2	-14.93	0	297.443	1.526	2	3	6	CC[C@H](C)[C@H](NC(C)=O)C(=O)NC[C@H]1CCN1C(C)(C)C
342603192	ZINC000617006899	ref	7.12	-43.67	1	290.411	1.9	2	3	4	Cn1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C2CC2)n1
342603193	ZINC000617006899	mid	5.99	-44.14	1	290.411	1.9	2	3	4	Cn1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(C2CC2)n1
342603194	ZINC000617006899	high	4.06	-12.74	0	290.411	1.9	1	4	4	Cn1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)c(C2CC2)n1
342603195	ZINC000617006873	ref	8.41	-40.35	1	290.411	1.513	2	3	4	Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342603196	ZINC000617006873	mid	7.28	-41.07	1	290.411	1.513	2	3	4	Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
365650789	ZINC000336563617	ref	6.4	-11.4	0	287.359	2.191	1	3	3	CO[C@@H](C(=O)N1Cc2ccc(O)cc2C2(CC2)C1)C1CC1
214201569	ZINC000337660536	ref	3.89	-9.99	0	258.321	3.27	3	2	2	CC(C)(C)c1ccc(NC(=O)c2ccc[nH]2)c(O)c1
342603197	ZINC000617006873	low	8.92	-81.41	2	290.411	1.513	2	2	4	Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
214201571	ZINC000337660536	high	4.66	-47.63	-1	258.321	3.27	2	2	2	CC(C)(C)c1ccc(NC(=O)c2ccc[nH]2)c([O-])c1
214201575	ZINC000337660503	ref	9.99	-12.5	0	295.382	3.002	0	2	4	CN(C[C@H]1OCCc2ccccc21)C(=O)Cc1ccccc1
214201578	ZINC000337657753	ref	10.54	-15.5	0	278.331	2.132	0	5	4	Cn1c(CCc2ccco2)nnc1N1CC[C@@](C)(F)C1
290624450	ZINC000333405783	ref	6.72	-10.78	0	296.436	2.522	0	3	4	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)CC3(CC#N)CC3)C2)C1
290624451	ZINC000359188028	ref	7.74	-7.76	0	334.485	2.802	0	2	2	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)N3CCc4ccccc4C3)C2)C1
349536139	ZINC000621245172	mid	6.03	-38.88	1	267.417	2.206	3	1	5	CC1CC(CNC(=O)NCC[N@H+]2CCCC[C@H]2C)C1
342603198	ZINC000617006873	low	7.8	-80.15	2	290.411	1.513	2	2	4	Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
197610884	ZINC000290144240	ref	5.38	-14.37	0	293.388	2.282	1	3	4	CC[C@@H]1C[C@H]1NS(=O)(=O)c1ccc2c(c1)C(=O)CCC2
190495156	ZINC000269444042	ref	7.12	-11.71	0	265.317	2.085	0	6	2	Fc1cnc(Sc2nnc3n2CCCCC3)nc1
365650795	ZINC000336563529	ref	5.53	-11.61	0	276.327	2.1	1	2	2	C[C@@H]1COCCN(C(=O)NC[C@@H]2CCC(F)(F)C2)C1
214201592	ZINC000337659185	ref	9.77	-12.96	0	280.397	2.092	0	6	7	CCOCc1nnc(N(C)CCc2cccs2)n1C
342603199	ZINC000617006873	high	5.39	-10.75	0	290.411	1.513	1	4	4	Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@H]1CCN1C(C)(C)C
365650791	ZINC000641615713	ref	4.68	-10.08	0	287.367	1.74	0	6	4	COC[C@@]1(C)CCN(c2ccc(-c3ccnn3C)nn2)C1
365650799	ZINC000641614926	ref	0.63	-15.32	0	298.389	1.258	2	6	3	O=S1(=O)CC[C@](O)(CNc2nccc3sccc23)C1
168365674	ZINC000037132328	ref	6.46	-5.13	0	243.35	4.394	2	2	5	CCC(CC)CNc1cccc2c(O)cccc12
342603200	ZINC000617006674	ref	5.79	-40.94	1	288.395	1.957	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1
365650809	ZINC000641614949	ref	0.47	-8.67	0	252.318	1.048	2	5	7	CC[C@H](C)[C@H](CNc1nccnc1C(N)=O)OC
342603201	ZINC000617006674	mid	7.3	-40.35	1	288.395	1.957	2	3	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1
178325899	ZINC000049815856	high	5.97	-5.55	0	215.296	3.583	1	2	2	Cc1ccc(-c2ccc([C@@H](C)N)o2)cc1C
342603202	ZINC000617006674	high	3.51	-9.17	0	288.395	1.957	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cnc(C2CC2)nc1
168365679	ZINC000019966441	ref	3.75	-7.11	0	246.31	2.418	2	3	5	CCC(CC)CNc1ccc2c(c1)C(=O)NC2=O
398249996	ZINC000286669239	ref	5.37	-9.25	0	211.261	1.257	0	3	4	C#CCN(CC)C(=O)OC[C@H]1CCCO1
342603203	ZINC000617006282	ref	4.04	-38.15	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H](O)C1CCC1
398249999	ZINC000336780039	ref	9.13	-41.88	1	239.428	3.298	1	1	3	C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1CCSCC1
178325904	ZINC000095494876	ref	8.97	-44.1	-1	243.262	3.584	0	3	2	Cc1ccc(-c2ccc([O-])c([N+](=O)[O-])c2)c(C)c1
214201591	ZINC000278510056	ref	5.51	-7.76	0	300.406	2.93	2	5	6	OCCn1nc(-c2cccnc2)cc1NCC1CCCCC1
178325906	ZINC000095494876	low	7.96	-9.01	0	243.262	3.584	1	3	2	Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)c(C)c1
365650819	ZINC000641615722	ref	5.76	-37.18	1	276.384	1.035	3	4	6	OCC[N@@H+]1CCCC[C@@H]1CNc1cc(C2CC2)ncn1
214201595	ZINC000278510394	ref	6.52	-17.92	0	317.364	2.894	2	4	5	C=C[C@](C)(O)CC(=O)Nc1ccc(-n2nc(C)cc2C)c(F)c1
133429159	ZINC000306540565	ref	4.67	-4.8	0	178.279	2.187	0	2	2	C=CCN1CCCC(C)(C)[C@@H]1C#N
178325907	ZINC000065337799	ref	5.8	-14.83	0	203.216	2.489	1	1	1	Cc1ccc(-c2ccc[nH]c2=O)cc1F
230239773	ZINC000343170222	ref	-3.56	-22.59	0	261.307	-1.691	2	6	3	NS(=O)(=O)N1CCC[C@@](O)(Cn2ccnn2)C1
230239782	ZINC000343106411	ref	0.69	-16.36	0	271.317	-1.125	2	4	4	CCNC(=O)[C@H](C)NC(=O)[C@H]1COCCN1C(C)=O
230239790	ZINC000343115268	ref	2.08	-30.75	0	291.319	-1.556	1	8	4	Cc1nnc(CN2CCN(C(=O)Cn3cnnn3)CC2)[nH]1
230239797	ZINC000343115268	mid	1.81	-28.31	0	291.319	-1.556	1	8	4	Cc1nc(CN2CCN(C(=O)Cn3cnnn3)CC2)n[nH]1
282123814	ZINC000151702440	ref	6.72	-10.48	0	320.433	2.212	1	3	9	COC[C@H](NC(=O)CCN(Cc1ccccc1)C(C)=O)C(C)C
178325908	ZINC000237704234	ref	6.54	-53.15	-1	367.402	1.373	0	6	4	Cn1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1C(=O)[O-]
178325913	ZINC000237684753	ref	4.29	-40.45	1	350.488	1.48	2	4	4	Cc1nc(C)c(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1
178325914	ZINC000237694723	ref	7.8	-65.3	1	351.45	1.981	1	2	4	Cc1ccc(CC(=O)N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)cc1
178325915	ZINC000237705158	ref	4.02	-53.67	1	374.254	1.378	2	3	7	O=C(COc1ccc(Br)cc1F)NCCCN1CC[NH2+]CC1
178325917	ZINC000237696582	ref	6.14	-57.99	1	362.227	1.801	2	3	2	Cn1cc(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc(Br)c1=O
178325919	ZINC000237696582	mid	4.76	-18.19	0	362.227	1.801	2	4	2	Cn1cc(NC(=O)[C@H]2Cc3ccccc3CN2)cc(Br)c1=O
178325921	ZINC000237704860	ref	5.16	-61.98	1	372.404	1.721	2	5	4	O=C(Nc1ccc(N2CCCC2=O)c(F)c1)c1cn(C2CC[NH2+]CC2)nn1
178325923	ZINC000237700703	ref	4.7	-19.07	0	359.405	1.737	2	6	3	O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)[C@@H]1COCCN1
178325926	ZINC000237700703	low	6.06	-46.28	1	359.405	1.737	2	5	3	O=C(Nc1cc(-c2nnc3n2CCCCC3)ccc1F)[C@@H]1COCC[NH2+]1
342090206	ZINC000600318379	mid	4.06	-47.34	-1	255.245	1.165	0	4	3	COC(=O)[C@H](C)N(C)C(=O)c1ccc([O-])c(F)c1
214201597	ZINC000293802592	ref	0.5	-15.64	0	356.444	0.27	2	5	7	COC[C@@H]1CCN1C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@@H](C)O
214201609	ZINC000293805688	ref	2.2	-16.55	0	362.426	0.7	2	5	7	COc1ccc(CN2C[C@@H](C(=O)NC[C@H]3CC[C@@H](CO)O3)CC2=O)cc1
214201616	ZINC000293797600	ref	6.21	-11.01	0	351.309	0.995	1	5	4	CCOC(=O)[C@@H](F)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1
342090207	ZINC000600318361	ref	8.35	-11.27	0	285.384	1.992	0	4	6	CC[C@H]1CCCC[C@@H]1OCC(=O)N(C)[C@@H](C)C(=O)OC
342090208	ZINC000600318148	ref	5.66	-10.82	0	273.292	1.263	0	5	3	COC(=O)[C@H](C)N(C)C(=O)c1ccc2cnccc2n1
259310653	ZINC000394029463	ref	1.21	-5.38	0	243.225	1.824	2	3	4	CC[C@@H](NC(=O)OCC(F)(F)F)C(C)(C)O
342090209	ZINC000616318689	ref	4.12	-12.3	0	277.368	1.134	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2nc[nH]c2C1
342090210	ZINC000616318689	mid	4.13	-11.91	0	277.368	1.134	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2[nH]cnc2C1
342090211	ZINC000616318689	low	4.59	-41.64	1	277.368	1.134	2	2	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2[nH+]c[nH]c2C1
214201598	ZINC000278511031	ref	6.35	-11.9	0	309.406	2.322	1	4	11	CCOC(COCCNC(=O)[C@@H](C)c1ccccc1)OCC
219048762	ZINC000097696253	mid	2.71	-44.17	1	343.347	-0.34	3	7	3	O=C(c1cn[nH]n1)N1CC[N@@H+](Cc2cccc3nonc23)C[C@H](O)C1
342603204	ZINC000617006282	mid	5.48	-38.76	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H](O)C1CCC1
342603205	ZINC000617006282	high	2.6	-7.47	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H](O)C1CCC1
214201601	ZINC000278509600	ref	3.03	-20.16	0	303.341	1.111	0	5	3	Cc1nc(F)ccc1CN1CCN(c2cnn(C)c2)C(=O)C1
219048766	ZINC000097696127	ref	5.07	-24.83	0	330.363	1.571	2	3	5	O=C1NCCN(C(=O)CCCc2cn[nH]c2)[C@H]1c1cccc(F)c1
219048769	ZINC000097694990	ref	2.89	-32.16	0	328.39	0.322	1	5	6	CCS(=O)(=O)CC(=O)N1CCC[C@@H]1C(=O)NCc1ccco1
214201604	ZINC000278510012	ref	4.71	-65.02	1	317.364	2.057	2	3	7	COc1ccc(C(=O)NCC[NH2+]Cc2ccc(F)nc2C)cc1
219048771	ZINC000097696197	ref	3.7	-15.03	0	328.416	0.966	2	4	4	Cc1ccccc1CC(=O)N1CCN(Cc2ncc[nH]2)C[C@@H](O)C1
365650793	ZINC000576649715	ref	5.16	-35.33	1	241.331	1.175	2	3	2	COC(=O)[C@@]1(C)CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1
365650798	ZINC000576649715	mid	5.2	-31.59	1	241.331	1.175	2	3	2	COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CCCC[C@H]2O)C1
365650803	ZINC000576648435	ref	3.75	-7.13	0	240.347	2.043	2	2	5	COCC1(NC(=O)N[C@H](C)C2CC2)CCCC1
342603206	ZINC000590881523	ref	4.47	-13.69	0	262.284	1.222	1	3	2	C[C@@H]1[C@H](O)CCN1C(=O)Cc1c(F)cccc1C#N
342603207	ZINC000590881532	ref	3.56	-14.73	0	280.324	1.095	2	4	3	CCOC(=O)c1cc(C(=O)N2CC[C@@H](O)[C@H]2C)[nH]c1C
342603208	ZINC000590881535	ref	5.42	-17.35	0	294.307	1.264	1	5	4	Cc1cc(OCC(=O)N2CC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-]
219048773	ZINC000097696197	low	4.42	-44.24	1	328.416	0.966	2	3	4	Cc1ccccc1CC(=O)N1CCN(Cc2[nH]cc[nH+]2)C[C@@H](O)C1
342603209	ZINC000590879313	ref	4.79	-11.81	0	271.357	1.509	1	4	7	CCC1(CNC(=O)CC(C)(C)CC(=O)OC)COC1
219048775	ZINC000097695473	ref	11.61	-20.01	0	349.434	3.085	0	4	6	O=C(Cc1cn2ccccc2n1)N(Cc1ccccc1)C[C@H]1CCCO1
214201610	ZINC000278510012	high	3.31	-14.86	0	317.364	2.057	2	4	7	COc1ccc(C(=O)NCCNCc2ccc(F)nc2C)cc1
342603210	ZINC000617006581	ref	5.92	-45.35	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1
342609869	ZINC000590930458	ref	3.7	-22.12	0	284.425	1.943	2	2	5	C=CCC1(CNC(=O)N[C@H]2CC[S@](=O)C2)CCCC1
342603211	ZINC000617006581	mid	7.5	-44.76	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1
197610888	ZINC000163084546	ref	5.32	-15.88	0	318.42	1.808	1	5	8	CSC[C@H](C)NS(=O)(=O)CCc1ccccc1[N+](=O)[O-]
282123816	ZINC000171559669	ref	5.14	-17.48	0	311.345	1.781	1	6	2	Cc1ccc2oc(C(=O)N[C@@H]3CCc4nc(C)nn4C3)cc2n1
342603212	ZINC000617006581	mid	5.92	-39.51	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1
214201599	ZINC000053837449	ref	6.47	-28.52	0	333.3	1.901	2	6	6	Cc1c(OCC(=O)NC(=O)NCc2ccco2)cccc1[N+](=O)[O-]
214201602	ZINC000053843376	ref	5.38	-29.88	0	331.397	2.307	2	5	5	CCc1c(C)sc2[nH]c(CC(=O)NCc3ccco3)nc(=O)c12
342603213	ZINC000617006581	mid	7.49	-39.81	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1
342603214	ZINC000617006581	low	6.39	-84.93	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1
342603215	ZINC000617006581	low	7.96	-85.2	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH+]c[nH]c2C1
342603216	ZINC000617006581	low	6.39	-85.32	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1
214201606	ZINC000053835772	ref	10.57	-14.37	0	341.407	3.59	0	4	4	C[C@H]1C[C@@H]1c1ccc(CN(C)C(=O)[C@H]2Oc3ccccc3O[C@H]2C)o1
342603217	ZINC000617006581	low	7.96	-85.56	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]c[nH+]c2C1
214201611	ZINC000053830981	ref	6.88	-43.02	1	326.259	3.632	1	2	5	COc1ccccc1C[C@@H]([NH3+])Cc1cc(Br)cs1
214201614	ZINC000053834929	ref	4.57	-21.16	0	341.081	1.64	0	9	4	O=[N+]([O-])c1ncn(Cc2nnc(-c3ccc(Br)o3)o2)n1
398249997	ZINC000380240215	mid	8.19	-101.26	2	238.375	2.745	2	1	6	Cc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)c(C)o1
214201621	ZINC000053837157	ref	10.06	-45.09	1	343.471	3.262	2	2	5	CC1CCC([N@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)CC1
197610906	ZINC000163078495	ref	6.16	-14.94	0	304.39	2.059	1	3	4	C[C@H]1CCN(C(=O)COc2ccc(C(N)=O)cc2)C[C@H](C)C1
214201625	ZINC000053837157	mid	10.06	-44.81	1	343.471	3.262	2	2	5	CC1CCC([N@@H+](C)CC(=O)Nc2ccccc2N2CCCC2=O)CC1
342603218	ZINC000617006581	high	4.59	-12.38	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCc2nc[nH]c2C1
214201628	ZINC000053837157	high	7.69	-12.22	0	343.471	3.262	1	3	5	CC1CCC(N(C)CC(=O)Nc2ccccc2N2CCCC2=O)CC1
398254101	ZINC000290928379	low	7.39	-40.92	1	231.299	1.275	0	2	2	C#CCC(C)(C)C(=O)N1CCn2c[nH+]cc2C1
398249998	ZINC000650876184	ref	3.45	-6.62	0	281.4	1.337	3	2	7	C[C@@H](COCC1CC1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1
178325909	ZINC000065340305	ref	3.02	-7.13	0	218.227	3.212	2	2	1	Cc1ccc(-c2ccc(O)c(F)c2)cc1O
398250000	ZINC000650876184	mid	5.78	-37.9	1	281.4	1.337	3	2	7	C[C@@H](COCC1CC1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1
214201605	ZINC000337659657	ref	10.54	-40.3	1	293.415	0.925	1	5	6	COCC[N@@H+]1CCN(c2nnc(CC3CC3)n2C)C[C@H]1C
178325910	ZINC000065340305	high	3.79	-46.71	-1	218.227	3.212	1	2	1	Cc1ccc(-c2ccc([O-])c(F)c2)cc1O
214201607	ZINC000337659657	mid	10.31	-39.93	1	293.415	0.925	1	5	6	COCC[N@H+]1CCN(c2nnc(CC3CC3)n2C)C[C@H]1C
342603219	ZINC000617006581	high	4.59	-10.61	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCc2[nH]cnc2C1
178325911	ZINC000038069454	ref	7.41	-5.21	0	241.334	4.031	1	2	3	Cc1ccc(-c2ccc(OC(C)C)cc2)cc1N
214201608	ZINC000337659657	mid	8.12	-10.66	0	293.415	0.925	0	6	6	COCCN1CCN(c2nnc(CC3CC3)n2C)C[C@H]1C
178325912	ZINC000066104169	ref	10.08	-10.88	0	236.27	3.768	0	2	1	Cc1ccc(-c2ccc3oc(=O)ccc3c2)cc1
192340143	ZINC000273861981	ref	1.56	-9.21	0	252.314	1.472	1	4	3	CCc1ocnc1C(=O)N1CCC(C)(CO)CC1
214201612	ZINC000337659815	ref	5.15	-8.32	0	285.319	3.368	1	4	4	CCc1n[nH]c(=O)c(-c2nc(C(F)F)cs2)c1CC
214201615	ZINC000337660842	ref	4.13	-13.11	0	299.317	2.011	2	3	8	O=C(CCCOc1ccc(F)cc1F)NC[C@H](O)C1CC1
178325916	ZINC000082292502	ref	7.92	-12.3	0	225.255	1.682	1	5	1	Cc1ccc(-c2ccc3nnc(N)n3n2)cc1
214201617	ZINC000337658124	ref	4.33	-8.98	0	291.351	0.754	1	5	4	COC(=O)[C@@H](C)CC(=O)N1CCN[C@@H](c2ccncc2)C1
214201620	ZINC000337658124	low	5.46	-53.91	1	291.351	0.754	1	4	4	COC(=O)[C@@H](C)CC(=O)N1CC[NH2+][C@@H](c2ccncc2)C1
214201623	ZINC000337658438	ref	9.51	-25.01	1	278.306	2.163	1	3	4	Cc1cc(N(C)C)nc(NCc2c(F)cccc2F)[nH+]1
398250001	ZINC000650876184	high	3.45	-6.62	0	281.4	1.337	2	3	7	C[C@@H](COCC1CC1)NC(=O)N[C@H]1CCN(C2CC2)C1
214201626	ZINC000337658438	mid	9.02	-10.18	0	278.306	2.163	1	4	4	Cc1cc(N(C)C)nc(NCc2c(F)cccc2F)n1
178325920	ZINC000071551356	ref	7.72	-54.13	-1	242.274	3.374	1	3	2	Cc1ccc(-c2ccc(O)c(C(=O)[O-])c2)cc1C
398250003	ZINC000635661263	ref	11.52	-50.05	1	299.378	1.278	2	4	5	Cc1nc(NC(=O)C2(C[NH+](C)C)CC2)n(-c2ccccc2)n1
214201629	ZINC000337658087	ref	8.85	-9.97	0	294.354	3.214	1	3	3	Cc1ccccc1C[C@@H](C)n1c(=O)[nH]c2ccccc2c1=O
398250002	ZINC000192767975	ref	6.4	-13.14	0	238.335	2.557	1	3	6	CCCCN(CC)C(=O)Nc1cnn(CC)c1
178325925	ZINC000096163142	ref	5.96	-14.49	0	226.235	2.492	1	3	1	Cc1ccc(-c2ccc3nc[nH]c(=O)c3c2)o1
178325927	ZINC000038069290	ref	9.04	-4.51	0	237.346	4.123	1	1	1	Cc1ccc(-c2ccc3c(c2)CCCC3)cc1N
214201613	ZINC000278509801	ref	7.13	-14.37	0	302.284	2.61	2	3	3	Cc1[nH]nc(NC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1C#N
178325928	ZINC000065340766	ref	6.03	-7.62	0	220.218	3.646	1	1	1	Cc1ccc(-c2ccc(O)c(F)c2)c(F)c1
342090212	ZINC000616318689	low	4.6	-41.71	1	277.368	1.134	2	2	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2[nH]c[nH+]c2C1
214201627	ZINC000278510543	ref	6.18	-57.14	1	308.447	1.32	2	2	7	CC[S@](=O)CC(=O)NCCC[N@@H+]1CCc2ccccc2C1
219048776	ZINC000097695473	low	11.9	-29.27	1	349.434	3.085	0	3	6	O=C(Cc1cn2ccccc2[nH+]1)N(Cc1ccccc1)C[C@H]1CCCO1
214201630	ZINC000278510543	mid	6.18	-57.33	1	308.447	1.32	2	2	7	CC[S@](=O)CC(=O)NCCC[N@H+]1CCc2ccccc2C1
178325929	ZINC000065340766	high	6.8	-48.12	-1	220.218	3.646	0	1	1	Cc1ccc(-c2ccc([O-])c(F)c2)c(F)c1
214201633	ZINC000278510543	mid	3.61	-19.16	0	308.447	1.32	1	3	7	CC[S@](=O)CC(=O)NCCCN1CCc2ccccc2C1
342090213	ZINC000600318137	ref	4.21	-15.21	0	268.313	1.326	0	5	6	COC(=O)[C@H](C)N(C)C(=O)CCCc1ncc(C)o1
219048777	ZINC000097696334	ref	5.71	-17.1	0	346.39	2.347	2	5	5	O=C(NCc1cccc2ccccc12)c1cnn2cc(CCO)cnc12
219048779	ZINC000097696332	ref	7.31	-10.17	0	335.429	1.649	0	4	5	CSc1cccc(CN(C)C(=O)C[C@@H]2C(=O)N(C)C(=O)N2C)c1
178325930	ZINC000038069357	ref	6.41	-6.1	0	225.291	3.179	1	2	1	Cc1ccc(-c2ccc3c(c2)CCO3)cc1N
398250004	ZINC000183639003	ref	4.75	-40.97	1	234.343	2.239	2	1	6	CC[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1
178325932	ZINC000070458881	ref	5.76	-14.46	0	240.266	1.701	1	4	1	Cc1ccc(-c2ccc3n[nH]c(=O)n3n2)c(C)c1
365650797	ZINC000053299141	mid	6.16	-46.77	1	295.814	1.594	2	2	5	C[N@H+](CCC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
214201640	ZINC000278510157	ref	6.89	-6.09	0	301.171	2.642	0	5	4	CON(C)c1cc(C(F)(F)C(F)(F)F)ncc1[N+](=O)[O-]
178325933	ZINC000085476710	ref	6.11	-5.07	0	218.687	3.293	1	2	1	Cc1ccc(-c2ccc(N)nc2)c(Cl)c1
133429160	ZINC000306577265	ref	2.14	-6.82	0	197.263	1.151	1	4	3	C=C[C@@H](C)NC(=O)c1snnc1C
214201643	ZINC000278509796	ref	7.16	-13.53	0	302.284	2.61	2	3	3	Cc1[nH]nc(NC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1C#N
365650802	ZINC000053299141	mid	6.16	-46.74	1	295.814	1.594	2	2	5	C[N@@H+](CCC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
282123817	ZINC000449156653	low	5.54	-51.53	1	292.383	2.239	1	5	8	CCc1ccc([C@H](COC)[NH2+]Cc2c(C)nnn2CC)o1
214201619	ZINC000293793654	ref	5.18	-18.37	0	353.386	0.704	0	8	5	COCCn1nnc2c1CCN(C(=O)c1cc(-n3cccn3)ccn1)C2
214201624	ZINC000293806171	ref	0.27	-16.32	0	363.233	0.957	1	4	4	COC[C@H]1CCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br
365650808	ZINC000053299141	high	3.81	-7.49	0	295.814	1.594	1	3	5	CN(CCC(=O)N1CCNCC1)Cc1ccc(Cl)cc1
365650816	ZINC000053299085	ref	6.73	-102.91	2	293.436	1.489	2	2	3	C[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CC[NH2+]CC1
214201632	ZINC000293795720	ref	1.48	-15.14	0	362.354	0.869	1	5	5	COC[C@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1
365650822	ZINC000053299085	mid	6.9	-102.02	2	293.436	1.489	2	2	3	C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CC[NH2+]CC1
214201639	ZINC000293802472	ref	2.95	-17.18	0	363.326	0.534	4	7	7	COC(=O)c1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)[nH]1
342090214	ZINC000616318730	ref	4.15	-11.15	0	274.324	1.142	2	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ncnc2[nH]ccc12
230745123	ZINC000414376153	ref	3.96	-12.32	0	315.435	3.031	1	4	6	COC(C)(C)CS(=O)(=O)Nc1ccc(OC(C)(C)C)cc1
230745126	ZINC000414373208	ref	8.67	-13.87	0	317.385	3.074	0	2	3	O=S(=O)([C@@H]1C[C@H]1c1ccccc1)N1CCc2cccc(F)c21
398250005	ZINC000286671533	ref	9.47	-8.22	0	229.323	2.839	0	1	6	C#CCN(Cc1ccccc1)C(=O)CCCC
342090215	ZINC000616318504	ref	2.95	-16.23	0	297.399	1.108	2	3	3	CN1C[C@@H](C(=O)N[C@@H]2C[C@H](OC(C)(C)C)C2(C)C)NC1=O
342090216	ZINC000600318333	ref	4.19	-9.3	0	252.27	1.185	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1coc(C2CC2)n1
398254103	ZINC000381352953	ref	1.0	-43.81	0	237.307	-0.252	1	3	3	C[C@H]([NH3+])[C@@H](C)N=c1ccc(C(=O)N(C)C)n[n-]1
342090217	ZINC000121896175	ref	3.61	-10.57	0	274.349	1.539	2	5	3	Nc1ccnc(CNC(=O)c2cc3c(s2)CCC3)n1
342090218	ZINC000616318745	ref	3.24	-13.2	0	291.347	1.828	2	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@H](CO)[C@@H]2C)cc1O
342090219	ZINC000616318745	high	4.25	-52.39	-1	291.347	1.828	1	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@H](CO)[C@@H]2C)cc1[O-]
342090220	ZINC000600318142	ref	4.81	-9.24	0	293.245	1.072	0	5	3	COC(=O)[C@H](C)N(C)C(=O)c1cc(C(F)(F)F)nn1C
342090221	ZINC000600318387	ref	6.15	-9.34	0	271.357	1.602	0	4	5	CCC[C@H]1C[C@H](C(=O)N(C)[C@@H](C)C(=O)OC)CCO1
342090222	ZINC000600318369	ref	5.5	-10.19	0	257.33	1.211	0	4	4	COC(=O)[C@H](C)N(C)C(=O)C1CCC(OC)CC1
342603220	ZINC000590879604	ref	5.08	-12.94	0	297.395	1.633	2	4	4	COC(=O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O
178325934	ZINC000085476710	low	6.53	-28.56	1	218.687	3.293	1	1	1	Cc1ccc(-c2ccc(N)[nH+]c2)c(Cl)c1
214201631	ZINC000053844459	ref	6.96	-9.95	0	346.427	2.002	0	5	4	COC(=O)[C@H]1CCCCN1CC(=O)N1CCCc2cc(OC)ccc21
214201635	ZINC000053837651	ref	8.07	-30.16	0	329.312	2.63	2	5	5	Cc1c(OCC(=O)NC(=O)Nc2ccccc2)cccc1[N+](=O)[O-]
398250006	ZINC000650872987	ref	3.27	-10.36	0	269.345	1.765	2	4	5	Cc1noc(C)c1[C@H](C)NC(=O)N(C)[C@@H](C)CCO
214201638	ZINC000053829684	ref	9.34	-42.75	1	328.25	4.461	1	1	4	C[NH2+][C@H](Cc1ccc(Br)s1)c1ccc(F)c(C)c1
214201641	ZINC000053844356	ref	4.5	-30.6	0	349.437	2.679	2	6	5	CNC(=O)c1sc2[nH]c(CSCc3ccco3)nc(=O)c2c1C
295666999	ZINC000355061204	ref	6.28	-10.18	0	312.401	2.613	0	3	4	CS[C@H]1CCCCN(C(=O)[C@H](C)N(C)CC(F)(F)F)C1
168365684	ZINC000368508399	ref	5.05	-14.99	0	327.359	3.344	2	3	6	CCc1[nH]ccc1C(=O)NCCc1coc(-c2ccc(F)cc2)n1
214201644	ZINC000053844356	high	4.07	-46.54	-1	349.437	2.679	1	6	5	CNC(=O)c1sc2[n-]c(CSCc3ccco3)nc(=O)c2c1C
214201648	ZINC000053825715	ref	8.56	-17.66	0	341.411	1.875	0	5	2	Cc1ccc2ncn(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)c(=O)c2c1
398250007	ZINC000650873004	ref	1.92	-9.33	0	284.331	1.474	3	3	8	C[C@H](CNC(=O)N[C@H](CO)CCF)Oc1ccccc1
168365687	ZINC000368501546	ref	9.64	-49.81	1	332.423	3.038	1	4	6	COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCCn3c(C)nnc32)cc1F
178325937	ZINC000072416723	ref	5.75	-7.37	0	227.307	3.419	1	2	2	Cc1ccc(-c2ccc([C@@H](C)O)c(C)n2)cc1
230745122	ZINC000450494986	ref	8.1	-9.86	0	313.317	1.648	1	6	4	Cc1nc(NCC(=O)N2Cc3ccccc3C2)ncc1[N+](=O)[O-]
178325938	ZINC000065341928	ref	7.46	-7.92	0	246.693	3.834	1	2	2	Cc1ccc(-c2ccc(O)c(C=O)c2)c(Cl)c1
178325939	ZINC000065341928	high	8.46	-49.7	-1	246.693	3.834	0	2	2	Cc1ccc(-c2ccc([O-])c(C=O)c2)c(Cl)c1
398250009	ZINC000650876187	ref	3.45	-6.62	0	281.4	1.337	3	2	7	C[C@H](COCC1CC1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1
178325941	ZINC000074081177	ref	5.98	-5.47	0	218.687	3.293	1	2	1	Cc1ccc(-c2ccc(N)nc2)cc1Cl
178325942	ZINC000074081177	low	6.46	-32.71	1	218.687	3.293	1	1	1	Cc1ccc(-c2ccc(N)[nH+]c2)cc1Cl
349536140	ZINC000621498537	ref	7.92	-10.34	0	286.366	3.253	1	1	3	C[C@@H]1CC[C@@]2(CCN(C(=O)NCC[C@@H]3CC3(F)F)C2)C1
178325943	ZINC000065355691	ref	4.22	-6.17	0	203.216	2.902	1	2	1	Cc1ccc(-c2ccc(O)cn2)cc1F
168365683	ZINC000019966441	high	1.94	-44.84	-1	246.31	2.418	1	3	5	CCC(CC)CNc1ccc2c(c1)C(=O)[N-]C2=O
168365686	ZINC000127998807	ref	7.53	-9.35	0	219.292	1.972	1	5	5	CCC(CC)CNc1nccn2cnnc12
365650806	ZINC000336563769	ref	0.78	-10.11	0	285.097	2.269	1	4	3	Cc1cnc(CNC(=O)c2occc2Br)o1
365650815	ZINC000336563450	ref	6.36	-34.95	1	259.397	2.306	1	2	2	Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1
365650820	ZINC000336563450	mid	6.76	-34.39	1	259.397	2.306	1	2	2	Cc1ccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1
230745135	ZINC000450493513	ref	4.83	-47.57	-1	301.726	1.952	1	5	7	COc1cc(Cl)c(C(=O)NCCCC(=O)[O-])cc1OC
342603221	ZINC000617006795	ref	4.94	-43.53	1	278.4	1.26	2	3	4	Cc1c(CC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cnn1C
342603222	ZINC000617006795	mid	6.18	-43.87	1	278.4	1.26	2	3	4	Cc1c(CC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cnn1C
197610915	ZINC000163090360	ref	2.24	-8.2	0	316.467	1.747	3	4	5	CC(C)C[C@H](CO)NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1
214201634	ZINC000337658559	ref	2.28	-20.88	0	258.281	0.647	3	2	3	CC(=O)N[C@H](C(=O)N=c1cc[nH][nH]1)c1ccccc1
214201637	ZINC000337657476	ref	3.86	-6.22	0	281.4	3.145	0	5	6	CCCC[C@@H](C)c1nc([C@H]2CN(C(C)C)CCO2)no1
342603223	ZINC000617006795	high	3.16	-12.58	0	278.4	1.26	1	4	4	Cc1c(CC(=O)NC[C@@H]2CCN2C(C)(C)C)cnn1C
214201642	ZINC000337657476	low	6.1	-34.9	1	281.4	3.145	1	4	6	CCCC[C@@H](C)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1
214201646	ZINC000337657476	low	5.67	-35.12	1	281.4	3.145	1	4	6	CCCC[C@@H](C)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1
214201647	ZINC000337658129	ref	4.17	-9.88	0	291.351	0.754	1	5	4	COC(=O)[C@H](C)CC(=O)N1CCN[C@H](c2ccncc2)C1
349536142	ZINC000621245172	high	4.02	-7.64	0	267.417	2.206	2	2	5	CC1CC(CNC(=O)NCCN2CCCC[C@H]2C)C1
342603224	ZINC000617006274	ref	5.21	-39.33	1	291.395	1.831	2	3	5	COCc1cncc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1
398250008	ZINC000286803975	ref	7.64	-32.89	1	244.382	2.745	1	1	3	C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1Cc1ccccc1
342603225	ZINC000617006274	mid	3.97	-40.08	1	291.395	1.831	2	3	5	COCc1cncc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1
197610926	ZINC000163087679	ref	5.5	-10.94	0	320.433	2.88	2	3	9	CCOCCCNC(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1
398250012	ZINC000286803975	mid	7.53	-32.0	1	244.382	2.745	1	1	3	C[C@@H]1[C@@H](N2CCCC2)CC[N@@H+]1Cc1ccccc1
259310655	ZINC000229706744	ref	0.92	-45.36	1	224.308	0.96	3	2	5	CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1cn[nH]c1
342603226	ZINC000617006274	high	2.15	-8.93	0	291.395	1.831	1	4	5	COCc1cncc(C(=O)NC[C@H]2CCN2C(C)(C)C)c1
168365689	ZINC000368501546	high	8.26	-13.47	0	332.423	3.038	1	5	6	COc1ccc(C[C@H](C)CN[C@@H]2CCCn3c(C)nnc32)cc1F
178325944	ZINC000086005643	ref	7.04	-4.1	0	217.699	3.898	1	1	1	Cc1ccc(-c2ccc(N)c(Cl)c2)cc1
178325945	ZINC000065340694	ref	5.96	-5.66	0	202.228	3.507	1	1	1	Cc1ccc(-c2ccc(O)cc2F)cc1
178325946	ZINC000065340694	high	6.73	-42.48	-1	202.228	3.507	0	1	1	Cc1ccc(-c2ccc([O-])cc2F)cc1
342090223	ZINC000600318396	ref	5.38	-9.4	0	257.33	1.211	0	4	4	CC[C@H]1C[C@H](C(=O)N(C)[C@@H](C)C(=O)OC)CCO1
398250010	ZINC000650876187	mid	5.78	-37.98	1	281.4	1.337	3	2	7	C[C@H](COCC1CC1)NC(=O)N[C@H]1CC[N@H+](C2CC2)C1
219048780	ZINC000350702768	low	7.06	-40.97	1	273.327	2.147	1	3	5	CC[C@H]1C[N@@H+](Cc2cnn(CC(F)F)c2)C[C@H](C)O1
219048783	ZINC000350699044	ref	6.29	-10.56	0	270.254	3.068	1	3	6	Fc1ccc2ccnc(NCCOCC(F)F)c2c1
214201645	ZINC000293794666	ref	2.41	-24.2	0	351.432	0.681	1	5	3	Cc1cc(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c2c(C)[nH]nc2n1
214201651	ZINC000293794018	ref	2.41	-17.14	0	366.439	0.89	1	5	2	O=C1NCCc2ccc(S(=O)(=O)N3CCC4(CC3)OCCCO4)cc21
214201655	ZINC000293793576	ref	4.78	-17.66	0	371.357	0.907	1	8	5	COCCn1nnc2c1CCN(C(=O)c1n[nH]c3ccc([N+](=O)[O-])cc13)C2
365650812	ZINC000623091066	ref	5.6	-42.41	1	302.422	1.741	3	3	8	Cc1cccc(-c2n[nH]cc2CN(C)CC[N@H+](C)CCO)c1
178325949	ZINC000004227455	ref	6.28	-45.03	1	227.307	3.0	1	1	4	Cc1ccc(-c2ccc(OCC[NH3+])cc2)cc1
178325950	ZINC000041243238	ref	8.43	-4.15	0	223.319	3.938	1	1	1	Cc1ccc(-c2ccc3c(c2)CCN3)c(C)c1
178325951	ZINC000065340433	ref	8.07	-6.39	0	234.298	4.521	1	1	1	Cc1ccc(-c2ccc3ccccc3c2)cc1O
178325952	ZINC000041048892	ref	5.45	-6.57	0	207.66	3.491	1	2	1	Cc1ccc(-c2ccc(N)cc2Cl)o1
214201659	ZINC000293793576	mid	4.32	-14.86	0	371.357	0.907	1	8	5	COCCn1nnc2c1CCN(C(=O)c1[nH]nc3ccc([N+](=O)[O-])cc13)C2
219048786	ZINC000350699044	low	6.66	-34.32	1	270.254	3.068	1	2	6	Fc1ccc2cc[nH+]c(NCCOCC(F)F)c2c1
178325953	ZINC000065343155	ref	6.33	-6.5	0	236.673	4.16	1	1	1	Cc1ccc(-c2ccc(O)c(Cl)c2)cc1F
219048789	ZINC000350701754	ref	-0.01	-16.61	0	283.287	2.276	2	5	3	Cc1nc2ccc(C(=O)Nc3cnccc3CO)cc2o1
219048792	ZINC000350700243	ref	5.46	-11.5	0	295.354	2.31	1	3	6	COc1cccc(CCC(=O)NC[C@@H]2CCCOC2)c1F
178325954	ZINC000065343155	mid	7.09	-40.95	-1	236.673	4.16	0	1	1	Cc1ccc(-c2ccc([O-])c(Cl)c2)cc1F
214201649	ZINC000278510914	ref	1.17	-8.96	0	309.753	2.614	1	5	6	CCOc1ncc(C(=O)NCc2ncc(CC)o2)cc1Cl
214201652	ZINC000278510081	ref	9.84	-41.24	1	310.445	2.912	1	3	3	C[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1CCCN(c2ccnn2C)C1
214201657	ZINC000278510614	ref	4.63	-25.62	0	303.387	2.159	1	4	5	CC[S@](=O)CC(=O)Nc1cccc(-c2ccnc(C)n2)c1
342603227	ZINC000003396916	ref	5.56	-12.08	0	270.716	1.806	1	4	5	CC[C@@H](C)NC(=O)COC(=O)c1cccnc1Cl
342603228	ZINC000617006768	ref	3.92	-45.24	1	292.383	1.016	2	4	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2
136230316	ZINC000295626189	ref	5.56	-8.14	0	231.295	1.711	1	2	6	C#Cc1ccc(CNC(=O)CCOCC)cc1
342603229	ZINC000617006768	mid	5.39	-43.32	1	292.383	1.016	2	4	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2
290624452	ZINC000408217117	ref	7.11	-11.79	0	324.402	2.796	0	4	3	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)C2)C1
214201661	ZINC000278510631	ref	9.17	-14.57	0	311.32	1.45	0	5	2	N#Cc1cc(C(=O)N2CCN(c3ncccn3)CC2)ccc1F
365650813	ZINC000576649227	ref	4.26	-8.88	0	230.271	0.75	1	5	2	N#Cc1nccc(N[C@@H]2C[C@@H]3OCCC[C@@H]32)n1
178325955	ZINC000020390945	ref	7.34	-45.53	1	211.308	3.682	1	0	2	Cc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1
168365690	ZINC000368507486	ref	10.11	-37.2	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@@H+]1C[C@H]2CCCCCC[C@@H]21
398250011	ZINC000650876187	high	3.45	-6.62	0	281.4	1.337	2	3	7	C[C@H](COCC1CC1)NC(=O)N[C@H]1CCN(C2CC2)C1
342603230	ZINC000617006768	high	2.42	-10.1	0	292.383	1.016	1	5	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cnc2n1CCOC2
342603231	ZINC000590881500	ref	5.44	-13.94	0	291.347	1.387	1	4	4	COC(=O)c1ccccc1CCC(=O)N1CC[C@@H](O)[C@H]1C
214201665	ZINC000278509883	ref	4.43	-42.03	1	316.445	2.152	2	3	6	OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC=CO1
214201668	ZINC000278509883	mid	6.82	-110.0	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC=CO1
342603232	ZINC000590879295	ref	5.17	-19.22	0	298.346	1.419	2	4	5	CNC(=O)C[C@H](C)NC(=O)c1cc2ccccc2n1CC#N
342603233	ZINC000617006665	ref	4.49	-43.82	1	284.791	1.676	2	3	3	Cn1ncc(Cl)c1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214201671	ZINC000278509883	mid	6.23	-112.48	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCC=CO1
136230317	ZINC000233261580	ref	0.93	-49.7	1	220.338	0.456	2	2	4	CCCS(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1
214201650	ZINC000337658129	low	5.42	-53.87	1	291.351	0.754	1	4	4	COC(=O)[C@H](C)CC(=O)N1CC[NH2+][C@H](c2ccncc2)C1
178325957	ZINC000065355850	ref	4.83	-7.26	0	219.671	3.416	1	2	1	Cc1ccc(-c2ccc(O)cn2)c(Cl)c1
398250013	ZINC000635661200	ref	7.39	-38.77	1	256.415	1.823	1	2	2	C[C@H](C(=O)N1CCS[C@@H]2CCCC[C@@H]21)[NH+](C)C
342603234	ZINC000617006665	mid	5.59	-42.2	1	284.791	1.676	2	3	3	Cn1ncc(Cl)c1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214201654	ZINC000337660843	ref	3.59	-31.42	0	264.325	0.248	2	4	5	C[N@H+](CC(=O)[O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1O
178325960	ZINC000065341349	ref	6.38	-9.33	0	227.238	3.378	1	2	1	Cc1ccc(-c2ccc(O)c(C#N)c2)c(F)c1
178325961	ZINC000065341349	mid	7.15	-43.25	-1	227.238	3.378	0	2	1	Cc1ccc(-c2ccc([O-])c(C#N)c2)c(F)c1
214201656	ZINC000337660843	mid	3.62	-32.4	0	264.325	0.248	2	4	5	C[N@@H+](CC(=O)[O-])[C@H]1CN(Cc2ccccc2)C[C@@H]1O
178325962	ZINC000215772628	ref	6.7	-51.44	-1	244.25	1.915	0	5	4	Cc1ccc(-c2ccc(OCC(=O)[O-])cc2)nn1
398250015	ZINC000635661200	mid	4.73	-4.73	0	256.415	1.823	0	3	2	C[C@H](C(=O)N1CCS[C@@H]2CCCC[C@@H]21)N(C)C
178325964	ZINC000085476935	ref	6.49	-5.05	0	201.244	3.383	1	1	1	Cc1ccc(-c2ccc(N)cc2)cc1F
178325965	ZINC000016947262	ref	7.74	-6.45	0	226.275	3.433	0	2	1	Cc1ccc(-c2ccc3c(c2)OCCO3)cc1
398250017	ZINC000132844386	ref	5.4	-48.68	1	283.303	1.981	2	3	7	CCCC[C@@H](C[NH3+])NC(=O)c1cc(F)cc([N+](=O)[O-])c1
178325966	ZINC000016945909	ref	6.56	-4.76	0	201.244	3.383	1	1	1	Cc1ccc(-c2ccc(N)c(F)c2)cc1
342603235	ZINC000617006665	high	2.17	-10.91	0	284.791	1.676	1	4	3	Cn1ncc(Cl)c1C(=O)NC[C@@H]1CCN1C(C)(C)C
365650817	ZINC000623091066	mid	5.59	-42.8	1	302.422	1.741	3	3	8	Cc1cccc(-c2n[nH]cc2CN(C)CC[N@@H+](C)CCO)c1
178325967	ZINC000065341281	ref	6.17	-7.78	0	209.248	3.239	1	2	1	Cc1ccc(-c2ccc(O)c(C#N)c2)cc1
214201660	ZINC000337658631	ref	1.64	-16.66	0	294.355	0.394	2	6	6	CC(C)(C)C(=O)Cn1cc(C(=O)NC[C@@H](O)C2CC2)nn1
178325968	ZINC000065341281	high	6.94	-41.29	-1	209.248	3.239	0	2	1	Cc1ccc(-c2ccc([O-])c(C#N)c2)cc1
398250019	ZINC000569677894	ref	1.99	-29.82	1	292.383	1.009	3	6	4	C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3C[C@](C)(O)C3)ncn2)C1
178325970	ZINC000066105091	ref	10.07	-12.38	0	236.27	3.768	0	2	1	Cc1ccc(-c2ccc3ccc(=O)oc3c2)cc1
398250021	ZINC000569677894	low	2.34	-30.77	1	292.383	1.009	3	5	4	C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3C[C@](C)(O)C3)[nH+]cn2)C1
342603236	ZINC000590881513	ref	4.51	-18.7	0	280.28	1.199	1	5	3	COc1c(C(=O)N2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-]
214201653	ZINC000053845128	ref	3.52	-8.62	0	337.292	2.083	1	3	4	O=C(CN1CCN(CC(F)(F)F)CC1)Nc1cc(F)ccc1F
342603237	ZINC000617006907	ref	3.93	-40.62	1	267.398	1.675	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cc1cscn1
342603238	ZINC000617006907	mid	5.5	-40.17	1	267.398	1.675	2	3	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cc1cscn1
342603239	ZINC000617006907	high	2.59	-12.04	0	267.398	1.675	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)Cc1cscn1
214201658	ZINC000053845038	ref	3.86	-8.89	0	335.757	2.458	1	3	4	O=C(CN1CCN(CC(F)(F)F)CC1)Nc1ccc(Cl)cc1
342603240	ZINC000617006875	ref	7.29	-40.97	1	290.411	1.513	2	3	4	Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
342603241	ZINC000617006875	mid	8.53	-40.92	1	290.411	1.513	2	3	4	Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214201662	ZINC000053844333	ref	5.13	-33.57	0	337.401	1.538	2	6	6	CCCCOC(=O)Cc1nc(=O)c2c(C)c(C(=O)NC)sc2[nH]1
222609652	ZINC000125796912	ref	10.23	-9.67	0	340.427	2.345	0	5	6	CCn1cc(C(=O)C(=O)N(C)Cc2ccccc2N2CCCC2)cn1
342603242	ZINC000617006875	low	7.8	-80.27	2	290.411	1.513	2	2	4	Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
222609662	ZINC000125792189	ref	5.91	-12.84	0	334.376	1.525	1	5	2	O=C(Nc1cnn(-c2ccccc2F)c1)C(=O)N1CCSCC1
214201667	ZINC000053844333	high	4.7	-48.51	-1	337.401	1.538	1	6	6	CCCCOC(=O)Cc1nc(=O)c2c(C)c(C(=O)NC)sc2[n-]1
214201672	ZINC000053824354	ref	10.79	-12.0	0	347.488	2.872	0	6	5	Cc1cc2nnc(SCC(=O)N(C)CC3CCCCC3)n2c(C)n1
214201675	ZINC000053845155	ref	7.99	-33.62	0	340.36	3.571	1	6	4	Cc1occc1C(=O)Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1
214201676	ZINC000053845155	high	7.57	-54.64	-1	340.36	3.571	0	6	4	Cc1occc1C(=O)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1
214201682	ZINC000053835770	ref	10.56	-14.38	0	341.407	3.59	0	4	4	C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1
214201686	ZINC000053837594	ref	8.2	-27.51	0	347.302	2.769	2	5	5	Cc1c(OCC(=O)NC(=O)Nc2ccccc2F)cccc1[N+](=O)[O-]
214201690	ZINC000053826470	ref	9.8	-10.49	0	326.372	2.222	0	6	4	Cn1c(SCc2cc(F)ccc2F)nnc1N1CCOCC1
342603243	ZINC000617006875	low	9.04	-80.67	2	290.411	1.513	2	2	4	Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
133429163	ZINC000306550114	ref	-0.02	-6.36	0	154.213	0.357	1	3	2	CC[C@]1(O)CCN(CC#N)C1
342603244	ZINC000617006875	high	5.5	-10.41	0	290.411	1.513	1	4	4	Cn1cncc1[C@@H]1C[C@H]1C(=O)NC[C@@H]1CCN1C(C)(C)C
178325972	ZINC000020267833	ref	5.78	-43.09	1	201.269	3.275	1	1	2	Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)cc1
178325973	ZINC000020267833	high	5.44	-4.27	0	201.269	3.275	1	2	2	Cc1ccc(-c2ccc([C@@H](C)N)o2)cc1
178325974	ZINC000083826712	ref	6.68	-5.3	0	201.244	3.383	1	1	1	Cc1ccc(-c2ccc(N)cc2F)cc1
178325975	ZINC000049815853	ref	6.45	-42.74	1	215.296	3.583	1	1	2	Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)c(C)c1
178325976	ZINC000049815853	high	6.1	-4.9	0	215.296	3.583	1	2	2	Cc1ccc(-c2ccc([C@H](C)N)o2)c(C)c1
342090224	ZINC000616318696	ref	2.91	-8.08	0	283.397	1.23	2	5	4	CCNc1nc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)cs1
178325979	ZINC000065340225	ref	2.96	-6.53	0	200.237	3.073	2	2	1	Cc1ccc(-c2ccc(O)cc2)cc1O
290624453	ZINC000336615243	ref	6.57	-8.6	0	274.364	3.204	0	3	2	C[C@H]1CC[C@@]2(CCN(C(=O)c3ncoc3C3CC3)C2)C1
214201666	ZINC000337658612	ref	4.85	-6.9	0	264.35	3.208	0	5	3	C[C@H]1C[C@@H](C)O[C@H]1c1nc(Cc2cccs2)no1
214201669	ZINC000337657448	ref	5.94	-15.13	0	279.384	2.25	1	3	6	COCCn1ccc(=NC(=O)CCC2CCCCC2)[nH]1
214201673	ZINC000337657752	ref	10.52	-14.59	0	278.331	2.132	0	5	4	Cn1c(CCc2ccco2)nnc1N1CC[C@](C)(F)C1
214201678	ZINC000337660299	ref	7.17	-16.97	0	291.395	2.257	1	2	6	CCCNC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1
214201680	ZINC000337658488	ref	1.29	-19.68	0	260.359	0.326	1	3	1	C[C@H]1[C@@H](C)N(C(=O)N[C@@H]2CCOC2)CC[S@@]1=O
214201684	ZINC000337658123	ref	3.98	-13.17	0	284.241	2.096	1	3	3	CN(Cc1cc[nH]n1)C(=O)c1ccncc1C(F)(F)F
214201688	ZINC000337658610	ref	5.16	-6.27	0	264.35	3.208	0	5	3	C[C@H]1C[C@@H](C)O[C@@H]1c1nc(Cc2cccs2)no1
398250014	ZINC000286803975	mid	7.81	-30.85	1	244.382	2.745	1	1	3	C[C@@H]1[C@@H](N2CCCC2)CC[N@H+]1Cc1ccccc1
214201694	ZINC000337657975	ref	5.59	-45.44	-1	293.363	3.129	2	4	4	CC(C)(CC(=O)Nc1ccc(C(C)(C)C)cc1O)C(=O)[O-]
214201697	ZINC000337657975	high	6.35	-97.71	-2	293.363	3.129	1	4	4	CC(C)(CC(=O)Nc1ccc(C(C)(C)C)cc1[O-])C(=O)[O-]
214201700	ZINC000337659770	ref	7.38	-8.2	0	291.42	3.325	1	5	5	COCC[C@H](C)Nc1nc(C)nc2sc3c(c12)CCC3
178325981	ZINC000041602859	ref	3.58	-8.62	0	200.241	1.933	2	2	1	Cc1ccc(-c2ccc(N)c(=O)[nH]2)cc1
398250016	ZINC000183638053	ref	1.3	-43.0	1	236.315	1.554	3	2	5	C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1O
398250018	ZINC000183638053	high	2.06	-47.74	0	236.315	1.554	2	2	5	C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1[O-]
214201703	ZINC000337658997	ref	8.19	-12.23	0	275.396	3.447	1	3	6	CCC(CC)CC(=O)Nc1ccc(N2CCCC2)cn1
398250020	ZINC000062533340	ref	1.33	-6.57	0	241.088	2.789	1	3	0	Cc1c(Br)cc(C)c2oc(N)nc12
214201664	ZINC000293793889	ref	3.02	-13.76	0	365.415	0.659	2	8	6	COC(=O)c1c(C)csc1NC(=O)C(=O)NCCCc1cnn(C)n1
398250022	ZINC000308860806	ref	6.77	-42.95	1	207.321	1.946	1	2	4	Cn1ccnc1C[NH2+]CC1CC(C)(C)C1
214201670	ZINC000293803849	ref	2.68	-22.29	0	369.399	0.405	2	6	5	C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)[C@H]1C
214201677	ZINC000293793668	ref	4.54	-11.54	0	362.43	0.881	1	6	4	COC[C@H]1CCN1C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1
219048785	ZINC000097696356	ref	6.79	-19.43	0	326.4	2.18	2	4	4	NC(=O)C1(NC(=O)c2ccc(-n3ccnc3)cc2)CCCCCC1
219048787	ZINC000097696356	low	7.3	-49.99	1	326.4	2.18	2	3	4	NC(=O)C1(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)CCCCCC1
219048790	ZINC000097696263	ref	8.72	-12.53	0	343.471	3.718	2	2	6	C[C@@H](NC(=O)Nc1ccccc1CCC(=O)N(C)C)C1=CCCCC1
219048793	ZINC000097696328	ref	7.76	-16.64	0	327.388	0.936	1	6	3	O=C(c1cccn1C1CC1)N1CCN(c2ncccn2)C[C@H](O)C1
219048796	ZINC000097696287	ref	1.44	-19.03	0	347.371	0.88	3	5	5	COc1cc(CN(C(=O)[C@@H]2CCC(=O)NC(=O)N2)C2CC2)ccc1O
219048798	ZINC000097694961	ref	3.08	-16.31	0	338.717	1.491	2	4	2	Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N[C@@H]1CCCCNC1=O
219048800	ZINC000097696154	ref	3.45	-12.25	0	343.427	0.99	1	5	3	N#Cc1ccccc1CN1CCN(C(=O)C2CCOCC2)C[C@H](O)C1
219048802	ZINC000097696154	low	6.38	-42.0	1	343.427	0.99	2	4	3	N#Cc1ccccc1C[N@H+]1CCN(C(=O)C2CCOCC2)C[C@H](O)C1
219048805	ZINC000097696154	low	5.84	-41.1	1	343.427	0.99	2	4	3	N#Cc1ccccc1C[N@@H+]1CCN(C(=O)C2CCOCC2)C[C@H](O)C1
342603245	ZINC000590881524	ref	5.29	-16.94	0	296.33	1.339	1	5	2	C[C@@H]1[C@H](O)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1
342603246	ZINC000617008075	ref	3.24	-37.3	1	297.443	1.086	2	3	4	CC(C)(C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)N1CCOCC1
219048808	ZINC000097696236	ref	12.34	-11.81	0	333.439	3.152	0	5	5	Cn1cc(CCc2nc(C3CC3)nn2-c2ccc3c(c2)CCC3)cn1
219048811	ZINC000097695494	ref	8.68	-12.71	0	325.412	2.72	1	3	5	O=C(c1n[nH]c2c1CCC2)N(Cc1ccccc1)C[C@@H]1CCCO1
219048813	ZINC000097694829	ref	10.5	-49.08	-1	338.342	3.108	0	6	5	O=C([O-])Cn1nc(C2CC2)nc1-c1ccc(-c2cccc(F)c2)nc1
219048815	ZINC000097696210	ref	6.73	-25.48	0	349.416	1.551	1	6	3	CS(=O)(=O)c1ccc(NC(=O)N2CCC(n3cnnc3)CC2)cc1
214201674	ZINC000278511751	ref	4.11	-20.82	0	312.341	2.581	3	4	6	CC(C)(O)CONC(=O)Nc1ccc(OC2CCC2)c(F)c1
230745136	ZINC000425619131	ref	6.39	-11.14	0	321.421	2.24	1	4	5	COc1ccnc(N(C)C(=O)[C@H](NC(=O)C(C)(C)C)C(C)C)c1
365650821	ZINC000623091066	mid	3.89	-45.91	1	302.422	1.741	3	3	8	Cc1cccc(-c2n[nH]cc2C[N@@H+](C)CCN(C)CCO)c1
365650827	ZINC000623091066	mid	3.98	-40.03	1	302.422	1.741	3	3	8	Cc1cccc(-c2n[nH]cc2C[N@H+](C)CCN(C)CCO)c1
365650832	ZINC000623091066	high	3.27	-8.9	0	302.422	1.741	2	4	8	Cc1cccc(-c2n[nH]cc2CN(C)CCN(C)CCO)c1
214201679	ZINC000278511751	high	2.62	-55.93	-1	312.341	2.581	2	5	6	CC(C)(O)CON=C([O-])Nc1ccc(OC2CCC2)c(F)c1
214201681	ZINC000278511751	high	3.29	-52.9	-1	312.341	2.581	2	4	6	CC(C)(O)CO[N-]C(=O)Nc1ccc(OC2CCC2)c(F)c1
342603247	ZINC000617008075	mid	4.8	-37.25	1	297.443	1.086	2	3	4	CC(C)(C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1CCOCC1
342603248	ZINC000617008075	high	1.89	-7.06	0	297.443	1.086	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)C(C)(C)N1CCOCC1
214201685	ZINC000278510216	ref	8.16	-42.77	1	316.445	1.971	3	2	7	O=C(NCC1CC[NH+](C2CC2)CC1)[C@@H](O)CCc1ccccc1
214201691	ZINC000278510608	ref	7.11	-10.0	0	304.398	1.949	2	7	4	CC(C)O[C@H]1C[C@H](Nc2nc(N)c3cnn(C)c3n2)C1(C)C
342603249	ZINC000617006668	ref	6.93	-45.43	1	290.411	1.434	2	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1
342603250	ZINC000617006668	mid	8.51	-44.94	1	290.411	1.434	2	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1
230745149	ZINC000425618987	ref	4.15	-11.77	0	304.39	2.458	2	3	3	COCc1cccc(NC(=O)N2C[C@@H]3CC[C@H](O)C[C@H]3C2)c1
365650841	ZINC000623089835	ref	-0.72	-15.29	0	320.779	1.572	2	5	4	NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)o2)cs1
365650854	ZINC000623090479	ref	5.03	-41.1	1	317.437	1.24	2	5	8	Cc1nn(-c2ccccn2)c(C)c1CN(C)CC[N@H+](C)CCO
365650859	ZINC000623090479	mid	5.02	-40.83	1	317.437	1.24	2	5	8	Cc1nn(-c2ccccn2)c(C)c1CN(C)CC[N@@H+](C)CCO
365650860	ZINC000623090479	high	2.7	-10.75	0	317.437	1.24	1	6	8	Cc1nn(-c2ccccn2)c(C)c1CN(C)CCN(C)CCO
365650868	ZINC000623090673	ref	2.56	-37.43	1	302.321	1.364	2	4	7	CN(CC[N@H+](C)CCO)Cc1cccc2c1OC(F)(F)O2
342603251	ZINC000617006668	low	7.44	-87.09	2	290.411	1.434	2	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1
349539041	ZINC000602466018	ref	5.04	-17.28	0	247.342	2.549	1	3	7	CC(C)CCN(CCC#N)Cc1ccc(=O)[nH]c1
214201683	ZINC000293797706	ref	4.81	-20.65	0	373.413	0.451	0	7	6	COCCn1nnc2c1CCN(C(=O)[C@H]1CC(=O)N(Cc3ccco3)C1)C2
214201687	ZINC000293796479	ref	1.19	-18.35	0	354.428	0.978	2	5	6	COc1cc(NC(=O)C(=O)NCC2([S@](C)=O)CC2)cc(OC)c1C
214201692	ZINC000293802100	ref	1.99	-13.87	0	351.378	0.719	3	4	6	C[C@@H](NC(=O)C(=O)Nc1ccc([C@H]2CCOC2)cc1)C(=O)NCCF
214201696	ZINC000293802484	ref	2.96	-17.11	0	363.326	0.534	4	7	7	COC(=O)c1ccc(C(=O)N[C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)[nH]1
214201701	ZINC000293806408	ref	5.53	-28.53	0	360.366	0.554	2	6	4	C[C@@H]1C[C@H](NC(=O)c2ccc(C(=O)N[C@@H]3C[C@@H](C)OC3=O)cc2)C(=O)O1
214201705	ZINC000293798225	ref	0.62	-17.12	0	372.487	0.812	3	5	9	COCC(C)(C)CNC(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O
214201709	ZINC000293796720	ref	6.42	-14.92	0	358.402	0.835	1	7	3	Cc1ccnc(OC2CCN(C(=O)C(=O)Nc3nc(C)n(C)n3)CC2)c1
214201714	ZINC000293793698	ref	0.33	-17.89	0	357.461	0.292	2	7	8	C[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCc1cnn(C)n1
342090225	ZINC000616318696	high	1.83	-35.25	-1	283.397	1.23	1	4	3	CCN=c1[n-]c(C(=O)N2CCC[C@@H](CO)[C@@H]2C)cs1
342090226	ZINC000616318731	ref	4.13	-11.09	0	274.324	1.142	2	4	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1ncnc2[nH]ccc12
214201719	ZINC000293793698	high	0.2	-51.57	-1	357.461	0.292	1	7	8	C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCCCc1cnn(C)n1
342090227	ZINC000616318554	ref	2.12	-12.84	0	273.283	1.511	1	4	3	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccnn1C(F)F
342090228	ZINC000046884592	ref	2.26	-6.44	0	299.321	1.807	2	3	4	C[C@H](CNC(=O)Nc1ccc(F)cc1F)N1CCOCC1
214201723	ZINC000293794556	ref	0.48	-14.36	0	363.37	0.361	2	6	2	CNC(=O)Oc1cccc(NC(=O)C(=O)N2CCO[C@@]3(CCOC3)C2)c1
342090229	ZINC000046884592	low	4.4	-42.81	1	299.321	1.807	3	2	4	C[C@H](CNC(=O)Nc1ccc(F)cc1F)[NH+]1CCOCC1
214201729	ZINC000293802804	ref	5.6	-60.05	1	371.441	0.705	2	5	4	O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
342090230	ZINC000146199972	ref	2.57	-53.11	-1	278.308	1.404	0	6	6	COC1CN(c2ccc(C(=O)[O-])nc2OCC2CC2)C1
342090231	ZINC000616318526	ref	4.39	-13.32	0	285.347	1.863	1	4	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc2cccnc2n1
342090232	ZINC000600318334	ref	5.13	-13.95	0	293.245	1.079	0	5	4	COC(=O)[C@H](C)N(C)C(=O)c1cnn(CC(F)(F)F)c1
342090233	ZINC000616318738	ref	2.29	-16.53	0	281.287	1.187	2	3	4	CCOc1ccc(NC(=O)[C@H]2CN(C)C(=O)N2)c(F)c1
178325987	ZINC000049830961	ref	6.27	-6.96	0	242.318	3.423	1	2	5	Cc1ccc(-c2ccc(OCCCO)cc2)cc1
398250023	ZINC000569677894	low	1.99	-29.82	1	292.383	1.009	3	5	4	C[C@@H](O)[C@@H]1CCN(c2cc(N[C@@H]3C[C@](C)(O)C3)nc[nH+]2)C1
178325993	ZINC000065340778	ref	5.83	-7.6	0	220.218	3.646	1	1	1	Cc1ccc(-c2ccc(O)c(F)c2)cc1F
230745138	ZINC000450493531	ref	6.27	-10.46	0	308.336	1.567	0	6	7	CN(CCN(C)c1nccc(-c2cnccn2)n1)CC(F)F
365650823	ZINC000576649229	ref	4.08	-7.23	0	230.271	0.75	1	5	2	N#Cc1nccc(N[C@@H]2C[C@H]3OCCC[C@@H]23)n1
365650833	ZINC000576649420	ref	6.54	-36.41	1	233.359	2.927	1	2	4	CC1(C[NH2+]Cc2ncccn2)CCCCCC1
230745147	ZINC000450492610	ref	3.75	-6.84	0	312.167	1.668	2	5	4	N#Cc1cc(Br)cnc1N[C@H](CO)[C@@H]1CCCO1
365650840	ZINC000576649420	mid	5.29	-4.95	0	233.359	2.927	1	3	4	CC1(CNCc2ncccn2)CCCCCC1
365650847	ZINC000176027388	ref	-2.03	-13.79	0	232.243	1.79	2	4	3	CCc1nnc(-c2ccc(NC(N)=O)cc2)o1
365650861	ZINC000576649256	ref	-1.57	-7.07	0	210.237	-0.504	2	6	3	COc1c(N)ncnc1N1CC(CO)C1
365650872	ZINC000576649256	low	-1.09	-35.15	1	210.237	-0.504	2	5	3	COc1c(N2CC(CO)C2)nc[nH+]c1N
365650876	ZINC000576649256	low	-1.24	-33.29	1	210.237	-0.504	2	5	3	COc1c(N)nc[nH+]c1N1CC(CO)C1
178325995	ZINC000065340778	high	6.6	-45.78	-1	220.218	3.646	0	1	1	Cc1ccc(-c2ccc([O-])c(F)c2)cc1F
365650882	ZINC000576652574	ref	3.72	-11.23	0	243.266	1.045	2	3	3	N#CC1(CNC(=O)C(=O)Nc2ccccc2)CC1
178325996	ZINC000065339948	ref	5.77	-5.79	0	202.228	3.507	1	1	1	Cc1ccc(-c2ccc(O)cc2)cc1F
365650894	ZINC000576648308	ref	3.73	-48.66	1	237.347	1.194	2	3	5	CCn1nccc1CC[NH2+][C@@H]1C[C@@H](O)C1(C)C
365650898	ZINC000576648878	ref	4.43	-6.82	0	220.251	1.474	1	4	1	N#Cc1ccc(N2CCC[C@H](F)C2)nc1N
365650904	ZINC000576648299	ref	8.09	-12.73	0	249.358	2.264	1	4	3	C[C@@H]1[C@@H](CNc2cc(=O)n(C)cn2)CCC[C@H]1C
178325997	ZINC000028712009	ref	4.66	-10.79	0	226.279	3.153	2	1	2	Cc1ccc(-c2ccc(NC(N)=O)cc2)cc1
398250025	ZINC000650876240	ref	5.85	-16.96	0	284.31	1.714	1	3	3	O=C(NCCn1cccn1)N1CCC2(CC1)CC2(F)F
432002791	ZINC000103076333	ref	9.68	-41.29	1	320.452	3.34	2	1	5	CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc(F)cc2)C1
365650919	ZINC000576648161	ref	-0.46	-14.12	0	226.276	-0.207	2	3	3	CC1(C)C[C@@H]1C(=O)N[C@]1(C(N)=O)CCOC1
365650929	ZINC000576648189	ref	-1.38	-18.08	0	230.308	0.119	2	3	7	CCC(CC)(CO)C(=O)N(C)CCC(N)=O
365650935	ZINC000576649300	ref	-3.3	-12.43	0	221.278	-0.782	2	4	3	CC1(S(=O)(=O)N[C@@H]2COC[C@H]2O)CC1
342090234	ZINC000616318518	ref	2.91	-6.77	0	283.412	1.937	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@]1(O)CCCC(C)(C)C1
214201693	ZINC000278510608	low	7.46	-31.2	1	304.398	1.949	2	6	4	CC(C)O[C@H]1C[C@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1(C)C
197610939	ZINC000290143907	ref	4.7	-9.97	0	299.374	2.149	2	4	5	C[C@H](NC(=O)c1cnn(C)c1C1CC1)[C@H](O)c1ccccc1
214201698	ZINC000278511903	ref	4.77	-13.84	0	324.409	2.895	1	5	3	O=C(NCc1ccc2c(n1)CCCC2)c1nc2cccnc2s1
349536145	ZINC000621500402	ref	8.77	-9.81	0	294.345	3.361	1	1	3	C[C@@H]1c2ccccc2CCN1C(=O)NCC[C@H]1CC1(F)F
214201702	ZINC000278510330	ref	6.31	-12.18	0	312.41	2.732	0	4	5	CC[C@@H](SC)C(=O)N1CCC(Oc2ncccc2F)CC1
214201711	ZINC000278510545	ref	6.18	-57.33	1	308.447	1.32	2	2	7	CC[S@@](=O)CC(=O)NCCC[N@@H+]1CCc2ccccc2C1
214201715	ZINC000278510545	mid	6.18	-57.15	1	308.447	1.32	2	2	7	CC[S@@](=O)CC(=O)NCCC[N@H+]1CCc2ccccc2C1
214201716	ZINC000278510545	mid	3.61	-19.27	0	308.447	1.32	1	3	7	CC[S@@](=O)CC(=O)NCCCN1CCc2ccccc2C1
214201720	ZINC000278509889	ref	6.52	-5.94	0	303.406	2.8	1	5	4	C[C@@H]1CN(c2ccc(NC[C@@H]3CCC=CO3)cn2)C[C@@H](C)O1
214201724	ZINC000278509889	low	6.85	-29.81	1	303.406	2.8	1	4	4	C[C@@H]1CN(c2ccc(NC[C@@H]3CCC=CO3)c[nH+]2)C[C@@H](C)O1
214201727	ZINC000278511747	ref	7.22	-18.11	0	304.35	1.43	1	5	5	CC(C)[C@H](NC(=O)c1ccco1)C(=O)N(C)c1nccn1C
214201731	ZINC000278512024	ref	5.62	-12.39	0	320.437	1.264	1	5	6	C=C[C@@](C)(O)CC(=O)N1CCCN(Cc2cnn(CC)c2)CC1
214201735	ZINC000278512024	mid	7.49	-46.33	1	320.437	1.264	2	4	6	C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](Cc2cnn(CC)c2)CC1
214201738	ZINC000278512024	mid	7.51	-47.94	1	320.437	1.264	2	4	6	C=C[C@@](C)(O)CC(=O)N1CCC[N@H+](Cc2cnn(CC)c2)CC1
214201739	ZINC000278510651	ref	5.66	-51.47	-1	309.406	2.57	1	4	6	C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OCC(C)(C)O
214201744	ZINC000278510685	ref	4.56	-10.25	0	315.373	2.893	2	5	5	CC(C)Oc1cc(O)ccc1NC(=O)c1ccc(N(C)C)nc1
214201748	ZINC000278511006	ref	5.26	-16.17	0	319.327	2.417	1	3	4	COC[C@H](C)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
214201750	ZINC000278511006	mid	5.18	-11.22	0	319.327	2.417	1	3	4	COC[C@H](C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
214201754	ZINC000278511320	ref	3.91	-49.56	1	304.371	3.128	2	5	6	Cc1ccc([C@H](O)C[NH2+]Cc2cnc(-c3ccco3)s2)o1
342090235	ZINC000616318698	ref	2.9	-9.18	0	283.397	1.23	2	5	4	CCNc1nc(C(=O)N2CCC[C@@H](CO)[C@H]2C)cs1
214201695	ZINC000053833213	ref	2.83	-14.72	0	325.332	1.649	4	5	4	Cc1cc(NC(=O)c2cccc(C(=O)Nc3cc(C)[nH]n3)n2)n[nH]1
342090236	ZINC000616318698	high	1.81	-36.3	-1	283.397	1.23	1	4	3	CCN=c1[n-]c(C(=O)N2CCC[C@@H](CO)[C@H]2C)cs1
214201699	ZINC000053837345	ref	5.45	-7.04	0	347.189	3.375	0	3	2	O=C(c1cc(Cl)sc1Cl)N1CCN(CC(F)(F)F)CC1
342104048	ZINC000609362358	ref	5.46	-27.2	0	282.344	1.92	0	5	6	CCCCn1nnnc1C[S@@](=O)c1ccc(F)cc1
342104049	ZINC000609359460	ref	5.39	-26.15	0	264.354	1.781	0	5	6	CCCCn1nnnc1C[S@@](=O)c1ccccc1
342104050	ZINC000151833120	ref	4.59	-47.33	1	266.389	1.661	2	3	7	CC(C)[NH2+]CCCNC(=O)c1cc(C(C)C)nn1C
342104051	ZINC000609360322	ref	3.73	-17.72	0	265.29	1.754	0	5	3	O=[S@@](Cc1ccno1)c1ccc2c(c1)OCCO2
214201704	ZINC000053827004	ref	9.31	-46.16	1	328.25	4.461	1	1	4	C[NH2+][C@@H](Cc1ccc(Br)s1)c1ccc(C)c(F)c1
342104052	ZINC000041784986	ref	5.84	-23.26	0	253.352	1.827	1	5	4	N#CCSCC(=O)Nc1nc2c(s1)CCC2
168365692	ZINC000368507486	mid	10.22	-39.53	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@H+]1C[C@H]2CCCCCC[C@@H]21
342104053	ZINC000609361023	ref	5.39	-19.72	0	282.344	1.92	0	5	6	CCCCn1nnnc1C[S@](=O)c1ccccc1F
342104054	ZINC000621393796	ref	2.37	-19.54	0	261.325	1.953	3	2	4	CC1CC(CNC(=O)Nc2cccc(C(N)=O)c2)C1
214201707	ZINC000053837512	ref	8.19	-19.85	0	344.374	3.25	2	4	3	Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)nc12
214201708	ZINC000053837512	low	8.64	-39.14	1	344.374	3.25	2	3	3	Cc1cccn2cc(-c3ccc(NC(=O)c4ccc(=O)[nH]c4)cc3)[nH+]c12
342104055	ZINC000609361152	ref	3.48	-16.64	0	264.306	1.941	1	4	4	CC(=O)Nc1ccc([S@@](=O)Cc2ccno2)cc1
342104056	ZINC000619158861	ref	3.49	-8.1	0	262.7	1.744	2	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cn[nH]n1
214201712	ZINC000053837628	ref	2.6	-16.96	0	345.321	0.871	1	4	5	NC(=O)COc1ccc(C(=O)N2CCN(CC(F)(F)F)CC2)cc1
342104057	ZINC000619158861	mid	3.56	-10.36	0	262.7	1.744	2	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cnn[nH]1
342104058	ZINC000619158861	high	3.31	-37.84	-1	262.7	1.744	1	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1c[n-]nn1
342104059	ZINC000619158861	high	3.38	-37.98	-1	262.7	1.744	1	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cnn[n-]1
342104060	ZINC000619158861	high	3.47	-38.21	-1	262.7	1.744	1	3	3	O=C(N[C@@H]1C[C@H]1c1ccccc1Cl)c1cn[n-]n1
342609870	ZINC000590928873	ref	5.45	-43.06	1	266.389	1.566	3	2	5	CC[N@@H+]1C[C@H](C)[C@@H](NC(=O)NCC(C)(C)CC#N)C1
214201706	ZINC000337660853	ref	12.38	-12.93	0	290.386	3.413	0	4	5	CC[C@H](C)c1nnc(N(C)Cc2ccc(F)c(C)c2)n1C
214201710	ZINC000337658091	ref	8.9	-10.05	0	294.354	3.214	1	3	3	Cc1ccccc1C[C@H](C)n1c(=O)[nH]c2ccccc2c1=O
398250024	ZINC000390817360	ref	1.63	-92.51	2	211.309	-0.147	3	1	2	C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1
342603252	ZINC000617006668	low	9.02	-87.07	2	290.411	1.434	2	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCc2c[nH+]cn2C1
342603253	ZINC000617006668	high	5.6	-11.26	0	290.411	1.434	1	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCc2cncn2C1
214201713	ZINC000337660990	ref	4.98	-22.47	0	256.306	-0.164	1	6	9	CCOCCO[C@H](C)C(=O)NCCn1cncn1
365650828	ZINC000336563450	low	8.59	-102.36	2	259.397	2.306	2	1	2	Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cn1
342603254	ZINC000617006556	ref	4.52	-35.81	1	298.427	1.419	2	3	5	COCC1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOCC1
342603255	ZINC000617006556	mid	4.01	-35.42	1	298.427	1.419	2	3	5	COCC1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOCC1
342603256	ZINC000617006556	high	2.04	-5.0	0	298.427	1.419	1	4	5	COCC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOCC1
342603257	ZINC000590881572	ref	3.86	-13.26	0	273.336	1.22	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1cc(C#N)cc(N(C)C)c1
214201718	ZINC000337660394	ref	2.83	-10.42	0	275.352	0.981	1	4	2	O=C([C@@H]1CCCOC1)N1CCN[C@H](c2ccncc2)C1
185091609	ZINC000096081409	mid	11.82	-101.34	2	288.41	2.989	2	0	4	Fc1ccccc1C[N@H+]1C[C@H]2CC[NH+](CC3CC3)C[C@H]2C1
185091611	ZINC000096081409	mid	11.86	-101.31	2	288.41	2.989	2	0	4	Fc1ccccc1C[NH+]1C[C@H]2CC[N@H+](CC3CC3)C[C@H]2C1
185091612	ZINC000096081409	mid	11.73	-104.25	2	288.41	2.989	2	0	4	Fc1ccccc1C[NH+]1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]2C1
185091614	ZINC000096081409	mid	9.33	-39.84	1	288.41	2.989	1	1	4	Fc1ccccc1CN1C[C@H]2CC[N@H+](CC3CC3)C[C@H]2C1
214201722	ZINC000337660394	low	4.08	-56.21	1	275.352	0.981	1	3	2	O=C([C@@H]1CCCOC1)N1CC[NH2+][C@H](c2ccncc2)C1
214201725	ZINC000337660504	ref	9.63	-9.68	0	295.382	3.002	0	2	4	CN(C[C@@H]1OCCc2ccccc21)C(=O)Cc1ccccc1
214201728	ZINC000337658043	ref	3.35	-20.26	0	277.284	-0.194	2	6	6	C[C@@H](NC(=O)c1ccoc1)C(=O)NCCn1cncn1
342603258	ZINC000617006310	ref	5.23	-38.37	1	287.367	1.512	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc12
342603259	ZINC000617006310	mid	6.8	-38.19	1	287.367	1.512	3	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc12
398250026	ZINC000308860806	high	5.41	-5.75	0	207.321	1.946	1	3	4	Cn1ccnc1CNCC1CC(C)(C)C1
259310659	ZINC000229706744	high	0.62	-7.73	0	224.308	0.96	3	3	5	CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)c1cn[nH]c1
178326003	ZINC000065340331	ref	6.1	-5.26	0	220.218	3.646	1	1	1	Cc1ccc(-c2ccc(F)cc2F)cc1O
342090237	ZINC000112464649	ref	7.63	-91.32	2	296.459	1.502	4	1	9	CCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1
398250029	ZINC000192775732	ref	-1.2	-7.69	0	216.281	-0.842	1	4	5	COCCN1CCN(C[C@@H](C)O)CC1=O
398250032	ZINC000192775732	low	1.03	-43.35	1	216.281	-0.842	2	3	5	COCCN1CC[N@H+](C[C@@H](C)O)CC1=O
342090238	ZINC000112464649	mid	7.62	-91.34	2	296.459	1.502	4	1	9	CCCC[N@@H+](C)CCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1
398250034	ZINC000192775732	low	1.1	-41.49	1	216.281	-0.842	2	3	5	COCCN1CC[N@@H+](C[C@@H](C)O)CC1=O
178326014	ZINC000041631084	ref	7.82	-57.13	-1	242.307	2.388	0	4	1	Cc1ccc(-c2ccc3n[n-]c(=S)n3n2)cc1
178326016	ZINC000041631084	mid	7.98	-19.09	0	242.307	2.388	1	4	1	Cc1ccc(-c2ccc3n[nH]c(=S)n3n2)cc1
178326018	ZINC000020391415	ref	7.87	-45.65	1	225.335	3.99	1	0	2	Cc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1C
342090239	ZINC000112464649	mid	7.46	-90.26	2	296.459	1.502	4	1	9	CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1
342090240	ZINC000112464649	mid	7.62	-91.34	2	296.459	1.502	4	1	9	CCCC[NH+](C)CCNC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1
342090241	ZINC000616318888	ref	1.63	-17.49	0	291.307	1.563	1	6	3	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ncoc1-c1ccon1
342090242	ZINC000616318644	ref	0.0	-39.47	-1	291.307	1.161	1	5	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1
342090243	ZINC000616318641	ref	-0.12	-40.15	-1	291.307	1.161	1	5	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1
342090244	ZINC000057400109	ref	4.89	-14.94	0	276.336	1.021	2	3	6	COc1cccc(C[C@H](NC(C)=O)C(=O)NC2CC2)c1
342090245	ZINC000616318780	ref	3.74	-6.05	0	255.358	1.565	1	3	4	CCOC1(C(=O)N2CCC[C@@H](CO)[C@@H]2C)CCC1
342090246	ZINC000616318777	ref	4.0	-11.79	0	255.358	1.421	1	3	4	CO[C@H](C(=O)N1CCC[C@@H](CO)[C@H]1C)C1CCC1
342090247	ZINC000616318836	ref	1.6	-10.98	0	282.34	1.235	1	5	5	COc1cc(CCC(=O)N2CCC[C@@H](CO)[C@H]2C)on1
192340146	ZINC000273863719	ref	1.82	-15.32	0	284.385	0.884	2	6	5	CNc1nnc(CC(=O)N2CCC[C@@H]2C[C@H](C)O)s1
192340150	ZINC000273864802	ref	5.24	-7.58	0	296.33	2.743	0	6	4	COc1ccccc1Cc1noc(-c2cnc(C)nc2C)n1
192340153	ZINC000273861367	ref	7.35	-12.1	0	274.324	1.992	1	6	5	CC(C)OC(=O)c1cccnc1NCc1nccn1C
342603260	ZINC000617006310	high	3.88	-10.47	0	287.367	1.512	2	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1ncnc2[nH]ccc12
342603261	ZINC000617006281	ref	4.39	-39.04	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H](O)C1CCC1
342603262	ZINC000617006281	mid	3.74	-38.53	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H](O)C1CCC1
342603263	ZINC000617006281	high	1.52	-8.4	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H](O)C1CCC1
214201717	ZINC000053845029	ref	4.9	-9.18	0	329.366	2.422	1	3	4	Cc1ccc(C)c(NC(=O)CN2CCN(CC(F)(F)F)CC2)c1
398250027	ZINC000635661253	ref	1.33	-12.22	0	253.298	1.315	2	4	4	CO[C@H]1C[C@@H](NC(=O)c2coc(CO)c2)C1(C)C
214201726	ZINC000053836094	ref	8.82	-17.21	0	338.367	2.135	1	6	3	C[C@H](NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)c1nnc2ccccn12
214201730	ZINC000053841328	ref	12.2	-15.63	0	335.436	3.952	0	6	5	Cc1ccc(-n2c(SCCC#N)nnc2-c2ccccn2)c(C)c1
214201736	ZINC000053825361	ref	10.32	-16.76	0	327.428	2.742	0	4	3	Cc1ccc2ncn(CC(=O)N(C)[C@H]3CCCC[C@H]3C)c(=O)c2c1
214201742	ZINC000053836610	ref	8.29	-24.16	0	325.712	1.165	1	7	6	COc1ccc(Cl)cc1CNC(=O)Cn1cnc([N+](=O)[O-])n1
214201746	ZINC000053844906	ref	3.48	-9.01	0	345.365	2.122	1	4	5	COc1ccc(C)cc1NC(=O)CN1CCN(CC(F)(F)F)CC1
214201752	ZINC000053843345	ref	8.1	-39.41	0	337.404	3.508	2	4	3	Cc1sc2[nH]c(CC(=O)c3c[nH]c4ccccc34)nc(=O)c2c1C
197617130	ZINC000163214928	ref	5.27	-19.7	0	306.362	1.434	1	4	6	C=CC(=O)NCCC(=O)N1CCOC[C@@H]1c1ccc(CC)o1
168365693	ZINC000135266982	ref	7.79	-6.7	0	237.303	3.146	1	4	6	CCC(CC)CNc1ncc(C)cc1[N+](=O)[O-]
342603264	ZINC000617008076	ref	4.1	-37.69	1	297.443	1.086	2	3	4	CC(C)(C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)N1CCOCC1
214201756	ZINC000053829576	ref	8.3	-49.77	1	326.184	4.278	1	0	3	Cc1cc([C@H]([NH3+])Cc2cc(F)ccc2Br)ccc1F
214201759	ZINC000053829762	ref	9.15	-39.97	1	328.25	4.461	1	1	4	C[NH2+][C@H](Cc1sccc1Br)c1ccc(F)c(C)c1
214201764	ZINC000053844270	ref	5.98	-18.86	0	344.415	2.615	2	5	7	Cc1cc(NC(=O)CN(C)CC(=O)Nc2cccc(C(C)C)c2)no1
214201767	ZINC000053843392	ref	8.27	-19.76	0	336.42	3.513	1	5	3	Cc1sc2[nH]c(-c3ccc(Cn4cccn4)cc3)nc(=O)c2c1C
342603265	ZINC000617008076	mid	2.97	-37.26	1	297.443	1.086	2	3	4	CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)N1CCOCC1
168365701	ZINC000309709794	ref	6.69	-3.87	0	225.311	3.081	1	3	5	CCC(CC)CNc1nc(C)nc(C)c1F
210255878	ZINC000272862502	ref	6.28	-13.22	0	311.381	3.322	1	3	4	C[C@@H](O)[C@@H]1CCN(C(=O)c2cccc(Oc3ccccc3)c2)C1
178326021	ZINC000237713239	ref	9.06	-47.69	1	355.482	1.598	1	2	3	Cc1ccccc1CC(=O)N1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1
178326025	ZINC000237716144	ref	6.54	-55.58	1	365.424	1.933	2	2	4	O=C(NC[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
178326028	ZINC000237718647	ref	6.03	-43.94	1	369.387	1.824	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1)[C@H]1CCC[NH2+]1
178326032	ZINC000237707291	ref	7.57	-51.94	1	362.499	1.662	2	4	4	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)nc1
178326035	ZINC000237707291	high	6.34	-20.07	0	362.499	1.662	2	5	4	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@@H]3CSCCN3)C2)nc1
178326037	ZINC000237719667	ref	6.07	-58.29	1	367.396	1.018	1	3	5	O=C(C[NH2+]C[C@H]1CCCO1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
178326040	ZINC000237719667	high	4.73	-18.65	0	367.396	1.018	1	4	5	O=C(CNC[C@H]1CCCO1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
178326043	ZINC000237724674	ref	4.18	-59.3	1	358.211	1.14	2	2	4	O=C(NCCC(=O)N1CC[NH2+]CC1)c1cc(F)ccc1Br
178326046	ZINC000237724674	mid	2.88	-16.02	0	358.211	1.14	2	3	4	O=C(NCCC(=O)N1CCNCC1)c1cc(F)ccc1Br
178326050	ZINC000237720391	ref	5.3	-53.1	1	369.469	1.579	3	4	7	Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC[C@@H]1CCC[NH2+]C1
178326054	ZINC000237720391	mid	4.33	-76.15	0	369.469	1.579	2	4	7	Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@@H]1CCC[NH2+]C1
214201732	ZINC000337657688	ref	2.11	-13.51	0	267.329	0.084	2	3	3	C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)N[C@H]2CCOC2)CC1=O
214201734	ZINC000337661114	ref	6.74	-13.55	0	299.349	3.306	3	1	5	Cc1[nH]ccc1C(=O)NCCCc1c[nH]c2ccc(F)cc12
178326056	ZINC000237722935	ref	4.4	-54.27	1	355.891	1.277	2	4	8	O=C(CSCC(=O)c1ccc(Cl)cc1)NCCN1CC[NH2+]CC1
178326060	ZINC000237717364	ref	6.87	-47.22	1	353.825	1.906	1	2	2	O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1
178326063	ZINC000237717364	high	5.63	-12.82	0	353.825	1.906	1	3	2	O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)[C@@H]2CCCCN2)CC1
178326066	ZINC000237719553	ref	3.83	-45.18	1	356.239	1.623	2	2	5	O=C(/C=C/c1cc(Br)ccc1F)NCCN1CC[NH2+]CC1
178326071	ZINC000237719472	ref	7.79	-76.69	-1	358.398	1.118	1	6	3	Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21
342603266	ZINC000617008076	high	2.39	-6.56	0	297.443	1.086	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)C(C)(C)N1CCOCC1
214201733	ZINC000293802804	low	2.45	-59.82	-1	371.441	0.705	3	4	4	O=C([C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
342603267	ZINC000617006794	ref	6.06	-43.04	1	278.4	1.26	2	3	4	Cc1c(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cnn1C
214201737	ZINC000293802804	low	5.6	-60.05	1	371.441	0.705	3	4	4	O=C([C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
398250028	ZINC000076956604	ref	8.43	-11.28	0	247.338	2.981	1	2	5	CCONC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1
398250031	ZINC000076956604	high	7.85	-45.59	-1	247.338	2.981	0	2	5	CCO[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1
214201740	ZINC000293802804	high	2.45	-59.82	-1	371.441	0.705	1	5	4	O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1
214201745	ZINC000293793545	ref	4.04	-49.5	-1	367.471	0.759	0	5	7	Cc1ccc(S(=O)(=O)N2CCN(CC(=O)[N-]OCC3CC3)CC2)cc1
342603268	ZINC000617006794	mid	4.94	-43.75	1	278.4	1.26	2	3	4	Cc1c(CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cnn1C
192340793	ZINC000421454782	ref	5.56	-12.72	0	237.347	1.966	1	3	6	CCC[C@@H](CC)NC(=O)Cc1cc(C)nn1C
214201751	ZINC000293793545	low	4.63	-18.11	0	367.471	0.759	1	5	7	Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NOCC3CC3)CC2)cc1
342603269	ZINC000617006794	high	3.04	-13.15	0	278.4	1.26	1	4	4	Cc1c(CC(=O)NC[C@H]2CCN2C(C)(C)C)cnn1C
214201755	ZINC000293793547	ref	2.48	-20.92	0	366.439	0.106	1	5	4	C[C@H]1[C@@H](NC(=O)[C@H]2COCC(=O)N2Cc2ccccc2)CCS1(=O)=O
214201760	ZINC000293804597	ref	2.15	-14.07	0	356.426	0.925	3	3	1	C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
342603270	ZINC000617006802	ref	5.46	-40.6	1	253.321	1.756	3	1	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(F)c[nH]1
342603271	ZINC000617006802	mid	3.95	-43.82	1	253.321	1.756	3	1	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c[nH]1
214201763	ZINC000293804597	mid	4.52	-46.36	1	356.426	0.925	3	3	1	C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
342603272	ZINC000617006802	high	1.96	-11.36	0	253.321	1.756	2	2	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(F)c[nH]1
342603273	ZINC000590879589	ref	5.15	-19.14	0	298.383	1.7	2	3	7	CNC(=O)C[C@@H](C)NC(=O)CSCc1ccc(F)cc1
398250036	ZINC000076959343	ref	6.81	-13.68	0	220.276	0.749	1	4	4	C[C@@H](Cn1cncn1)NC(=O)C1CC=CC1
197610962	ZINC000290143633	ref	11.47	-13.02	0	256.353	2.117	0	4	2	Cc1nnc(N(C)[C@@H]2CCc3ccccc3C2)n1C
168367891	ZINC000083269435	low	2.02	-95.38	2	161.208	1.583	2	0	1	C[C@@H]([NH3+])c1c[nH]c2cc[nH+]cc12
214201741	ZINC000337657811	ref	8.28	-18.25	0	290.363	2.488	0	4	5	CC(C)CN(C(=O)Cn1c(=O)oc2ccccc21)C(C)C
295667000	ZINC000334270377	ref	6.35	-7.59	0	294.317	3.092	1	2	2	O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCCO1
214201743	ZINC000337661186	ref	7.19	-8.53	0	299.252	3.08	2	3	4	CCOc1ccc(C(=O)Nc2nc(C(F)(F)F)c[nH]2)cc1
210255886	ZINC000272861908	ref	1.42	-8.46	0	308.338	0.309	1	6	5	CCOC[C@H]1CCN(C(=O)C(=O)Nc2cncnc2OC)C1
365650829	ZINC000053299085	mid	5.44	-42.32	1	293.436	1.489	2	3	3	C[C@H]1c2ccsc2CC[N@H+]1CCC(=O)N1CCNCC1
295667004	ZINC000419143969	ref	3.34	-46.64	1	335.37	1.339	3	2	3	O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N[C@H]1CCC[NH2+]C1
295667010	ZINC000333998991	ref	3.4	-14.55	0	347.337	1.269	2	3	2	O=C1NC(=O)[C@H]2CN(C(=O)NC[C@@H]3CCC[C@@H](C(F)(F)F)C3)C[C@@H]12
342090248	ZINC000616318647	ref	3.3	-9.68	0	252.314	1.227	1	4	4	C[C@H]1[C@H](CO)CCCN1C(=O)CCc1ccon1
349536146	ZINC000621244706	ref	4.59	-9.18	0	266.316	2.432	2	2	5	COc1ccc(F)c(CNC(=O)N[C@@H](C)C2CC2)c1
365650836	ZINC000053299085	mid	5.61	-42.03	1	293.436	1.489	2	3	3	C[C@H]1c2ccsc2CC[N@@H+]1CCC(=O)N1CCNCC1
210255891	ZINC000272863598	ref	3.69	-10.32	0	318.776	2.501	2	3	7	COC[C@H](CNC(=O)N[C@@H](C)c1ccc(F)c(Cl)c1)OC
365650842	ZINC000053299085	high	3.21	-7.66	0	293.436	1.489	1	4	3	C[C@H]1c2ccsc2CCN1CCC(=O)N1CCNCC1
365650848	ZINC000173002304	ref	4.84	-15.1	0	290.363	1.811	1	3	4	C[C@H]1CCCN(C(=O)c2ccc(OCC(N)=O)cc2)[C@@H]1C
365650856	ZINC000565417671	ref	7.27	-15.05	0	273.34	1.263	1	5	5	C[C@H](C(=O)NC[C@@H]1C[C@H]1C1CCC1)n1cnc(C#N)n1
214201747	ZINC000337661186	mid	7.12	-7.33	0	299.252	3.08	2	3	4	CCOc1ccc(C(=O)Nc2ncc(C(F)(F)F)[nH]2)cc1
342090249	ZINC000616318788	ref	2.81	-9.18	0	291.376	1.924	1	5	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1nc2cnccc2s1
365650863	ZINC000053299169	ref	7.6	-100.64	2	275.396	1.249	2	1	5	Cc1cccc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)c1
365650870	ZINC000053299169	mid	7.62	-100.77	2	275.396	1.249	2	1	5	Cc1cccc(C[N@@H+](C)CCC(=O)N2CC[NH2+]CC2)c1
214201749	ZINC000337658955	ref	5.27	-9.33	0	268.401	2.369	2	2	4	C[C@H]1CCC[C@H]1NC(=O)N1CCC(CCCO)CC1
342090250	ZINC000121899237	ref	6.04	-11.04	0	289.331	1.442	0	4	3	CC(=O)C[C@@H]1COCCN1C(=O)c1ccc2c(c1)CCO2
342090251	ZINC000121885494	ref	8.8	-20.7	0	268.28	1.388	1	6	2	Cc1ccn2c(NC(=O)c3cncnc3C)nnc2c1
342090252	ZINC000616318838	ref	1.58	-11.25	0	282.34	1.235	1	5	5	COc1cc(CCC(=O)N2CCC[C@H](CO)[C@@H]2C)on1
398250030	ZINC000569677292	ref	3.69	-46.05	1	285.432	1.879	3	2	8	CC(C)[NH2+]CCCNC(=O)NCC[C@@H]1CCO[C@H](C)C1
214201753	ZINC000337659887	ref	3.1	-16.64	0	297.399	0.941	2	3	4	CC(C)N1C[C@@H](NC(=O)N2CCC[C@@H]2C[C@H](C)O)CC1=O
349539045	ZINC000602466018	mid	7.08	-70.53	1	247.342	2.549	2	2	7	CC(C)CC[N@H+](CCC#N)Cc1ccc(=O)[nH]c1
214201757	ZINC000337661193	ref	-0.06	-21.79	0	275.349	-0.447	3	4	10	CCN(CCOCCO)C(=O)NCCCNC(C)=O
214201762	ZINC000337657667	ref	-2.75	-12.7	0	298.343	0.371	4	5	8	CC(C)(CO)CCCNC(=O)NCc1cc(C(N)=O)no1
214201769	ZINC000337657847	ref	3.63	-6.01	0	281.4	3.145	0	5	6	CCCC[C@H](C)c1nc([C@@H]2CN(C(C)C)CCO2)no1
214201773	ZINC000337657847	low	5.66	-35.08	1	281.4	3.145	1	4	6	CCCC[C@H](C)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1
342090253	ZINC000616318854	ref	4.15	-9.78	0	291.376	1.924	1	5	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ncnc2sccc12
214201774	ZINC000337657847	low	6.11	-34.92	1	281.4	3.145	1	4	6	CCCC[C@H](C)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1
214201776	ZINC000337657478	ref	3.62	-6.01	0	281.4	3.145	0	5	6	CCCC[C@@H](C)c1nc([C@@H]2CN(C(C)C)CCO2)no1
192340796	ZINC000421451901	ref	7.08	-5.69	0	223.36	3.118	1	1	4	CCCC(C)(C)NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1
214201778	ZINC000337657478	low	5.67	-35.07	1	281.4	3.145	1	4	6	CCCC[C@@H](C)c1nc([C@@H]2C[N@@H+](C(C)C)CCO2)no1
214201780	ZINC000337657478	low	6.11	-34.84	1	281.4	3.145	1	4	6	CCCC[C@@H](C)c1nc([C@@H]2C[N@H+](C(C)C)CCO2)no1
214201787	ZINC000337659286	ref	6.76	-8.76	0	290.407	2.43	2	2	9	CCCCCNC(=O)[C@@H](C)NC(=O)CCc1ccccc1
214201791	ZINC000337660003	ref	9.44	-13.34	0	292.408	2.083	0	6	4	COC1CCN(c2nnc(Cc3ccsc3)n2C)CC1
214201794	ZINC000337659123	ref	-1.1	-12.55	0	289.295	0.476	3	5	5	Cc1cccnc1CNC(=O)NCc1cc(C(N)=O)no1
342090254	ZINC000616318781	ref	3.55	-6.33	0	255.358	1.565	1	3	4	CCOC1(C(=O)N2CCC[C@H](CO)[C@H]2C)CCC1
214201798	ZINC000337657689	ref	2.09	-14.55	0	267.329	0.084	2	3	3	C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)N[C@H]2CCOC2)CC1=O
133429167	ZINC000306544756	ref	4.61	-14.64	0	164.208	0.768	0	2	1	CC1(C#N)CN(C(=O)C2CC2)C1
214201802	ZINC000337660171	ref	0.11	-9.79	0	288.388	0.888	3	4	7	CC(C)[C@@H](C)NC(=O)NCC1(OCCO)CCOCC1
342090255	ZINC000312566687	ref	2.61	-16.49	0	275.268	1.588	2	7	5	COc1ncccc1CNc1ccc(N)c([N+](=O)[O-])n1
342090256	ZINC000600318460	ref	7.71	-11.41	0	297.351	1.13	0	5	3	COC(=O)[C@H]1CC[C@@H](C(=O)OC)N(C(=O)C2CCCC2)C1
210255895	ZINC000272862007	ref	6.6	-20.35	0	315.377	2.196	1	6	5	CC[C@H]1C[C@H](CC(=O)Nc2cccc(-n3cnnn3)c2)CCO1
342090257	ZINC000616318752	ref	5.16	-8.71	0	274.364	1.731	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2cccnc21
214201758	ZINC000278511320	high	2.55	-9.01	0	304.371	3.128	2	6	6	Cc1ccc([C@H](O)CNCc2cnc(-c3ccco3)s2)o1
342090258	ZINC000312566457	ref	6.1	-49.04	-1	281.268	1.302	0	7	3	C[C@H]1CN(c2nccc(C(=O)[O-])c2[N+](=O)[O-])C[C@@H](C)O1
210255900	ZINC000272862608	ref	2.5	-17.46	0	317.311	1.71	2	3	5	CNC(=O)CN(C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
342090259	ZINC000616318868	ref	2.14	-8.66	0	273.373	1.049	1	4	8	COCCCOCCC(=O)N1CCC[C@H](CO)[C@H]1C
342090260	ZINC000616318779	ref	3.57	-7.25	0	255.358	1.565	1	3	4	CCOC1(C(=O)N2CCC[C@H](CO)[C@@H]2C)CCC1
210255903	ZINC000272862608	low	4.75	-45.68	1	317.311	1.71	3	2	5	CNC(=O)C[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
210255907	ZINC000272862608	low	4.71	-50.16	1	317.311	1.71	3	2	5	CNC(=O)C[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
342090261	ZINC000616318638	ref	3.13	-12.21	0	252.314	1.47	1	4	3	CCc1nocc1C(=O)N1CCC[C@H](CO)[C@@H]1C
214201761	ZINC000278510280	ref	8.2	-6.43	0	318.417	2.899	1	3	6	CCCN(CC1CC1)C(=O)C(=O)Nc1cc(C)c(OC)cc1C
342090262	ZINC000625368883	ref	6.76	-35.94	1	258.431	1.976	2	2	3	C[C@H]1CCSCC[N@@H+]1CC(=O)NCC(C)(C)C
342090263	ZINC000625368883	mid	6.64	-37.76	1	258.431	1.976	2	2	3	C[C@H]1CCSCC[N@H+]1CC(=O)NCC(C)(C)C
210255910	ZINC000272863783	ref	5.05	-47.16	1	320.433	1.801	3	3	9	O=C(NCCCOCCO)c1ccc(C[NH+]2CCCCC2)cc1
210255914	ZINC000272863783	high	2.65	-10.81	0	320.433	1.801	2	4	9	O=C(NCCCOCCO)c1ccc(CN2CCCCC2)cc1
214201765	ZINC000278510506	ref	3.06	-21.29	0	316.357	1.157	3	4	6	C=C[C@@](C)(O)CC(=O)Nc1ccc(C[C@@H]2CC(=O)NC2=O)cc1
210255918	ZINC000272862008	ref	6.81	-20.37	0	315.377	2.196	1	6	5	CC[C@@H]1C[C@H](CC(=O)Nc2cccc(-n3cnnn3)c2)CCO1
349536147	ZINC000594973592	ref	9.76	-48.99	1	286.375	2.718	1	3	5	COC(=O)c1cc(C[NH2+]Cc2cc(C)cc(C)c2)cn1C
342090264	ZINC000625368883	mid	4.98	-7.84	0	258.431	1.976	1	3	3	C[C@H]1CCSCCN1CC(=O)NCC(C)(C)C
210255922	ZINC000272863343	ref	5.86	-46.16	1	315.413	3.396	2	3	7	COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)c1
342090265	ZINC000187397288	ref	8.11	-43.92	1	275.327	1.823	1	3	5	Cc1ccc(=O)n(CC[N@@H+](C)Cc2ccc(F)cc2)n1
342090266	ZINC000187397288	mid	8.11	-44.14	1	275.327	1.823	1	3	5	Cc1ccc(=O)n(CC[N@H+](C)Cc2ccc(F)cc2)n1
290624454	ZINC000354617203	ref	8.8	-9.08	0	273.376	3.421	0	2	1	C[C@H]1CC[C@@]2(CCN(C(=O)c3occ4c3CCC4)C2)C1
365650830	ZINC000641615722	mid	5.87	-39.71	1	276.384	1.035	3	4	6	OCC[N@H+]1CCCC[C@@H]1CNc1cc(C2CC2)ncn1
282123818	ZINC000151692825	ref	5.41	-23.6	0	300.289	2.233	2	3	4	O=C(NCCc1ccccc1F)c1cccc2[nH]c(=O)oc12
365650837	ZINC000641615722	high	3.85	-6.95	0	276.384	1.035	2	5	6	OCCN1CCCC[C@@H]1CNc1cc(C2CC2)ncn1
365650846	ZINC000641615723	ref	6.19	-37.24	1	276.384	1.035	3	4	6	OCC[N@@H+]1CCCC[C@H]1CNc1cc(C2CC2)ncn1
342603274	ZINC000617006670	ref	8.41	-42.46	1	290.411	1.434	2	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1
342603275	ZINC000617006670	mid	6.93	-45.35	1	290.411	1.434	2	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1
365650853	ZINC000641615723	mid	5.18	-41.23	1	276.384	1.035	3	4	6	OCC[N@H+]1CCCC[C@H]1CNc1cc(C2CC2)ncn1
342603276	ZINC000617006670	low	8.92	-83.44	2	290.411	1.434	2	2	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1
342603277	ZINC000617006670	low	7.44	-86.99	2	290.411	1.434	2	2	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCc2c[nH+]cn2C1
214201766	ZINC000293804597	high	2.15	-14.07	0	356.426	0.925	2	4	1	CN1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
365650857	ZINC000641615723	high	3.85	-5.57	0	276.384	1.035	2	5	6	OCCN1CCCC[C@H]1CNc1cc(C2CC2)ncn1
230745171	ZINC000414374933	ref	5.42	-10.13	0	317.476	3.106	1	4	8	CCSCc1cccc(NS(=O)(=O)CC(C)(C)OC)c1
230745174	ZINC000414374933	high	5.47	-48.44	-1	317.476	3.106	0	4	8	CCSCc1cccc([N-]S(=O)(=O)CC(C)(C)OC)c1
365650866	ZINC000641615683	ref	4.87	-9.85	0	273.398	1.617	0	3	4	O=S(=O)(CC[C@@H]1CCCCO1)N1CC[C@@H]2C[C@@H]2C1
342603278	ZINC000617006670	high	5.56	-10.9	0	290.411	1.434	1	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCc2cncn2C1
342603279	ZINC000617006583	ref	5.89	-44.21	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1
214201770	ZINC000293801218	ref	3.14	-19.83	0	352.394	0.754	2	5	3	O=C1CN(c2ccnc(C(=O)N3C[C@@H](CO)c4ccccc43)c2)CCN1
342603280	ZINC000617006583	mid	7.4	-45.33	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1
365650873	ZINC000641615675	ref	0.07	-15.75	0	296.295	1.148	1	5	6	COc1cc(CNS(=O)(=O)C[C@@]2(C)CC2(F)F)on1
342603281	ZINC000617006583	mid	5.89	-40.5	1	290.411	1.504	3	2	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1
342090267	ZINC000187397288	mid	5.8	-10.29	0	275.327	1.823	0	4	5	Cc1ccc(=O)n(CCN(C)Cc2ccc(F)cc2)n1
214201768	ZINC000278511023	ref	5.09	-16.73	0	319.405	2.399	2	4	9	CC[C@@H](NC(=O)CCCc1nc2ccccc2[nH]1)C(OC)OC
342090268	ZINC000046885632	ref	3.33	-20.7	0	288.307	1.822	2	5	4	C[C@H](Cn1cccn1)NC(=O)Nc1ccc2c(c1)OCO2
349536149	ZINC000621500766	ref	7.17	-10.14	0	274.355	3.253	1	1	5	CCC1(CC)CCN(C(=O)NCC[C@@H]2CC2(F)F)C1
342090269	ZINC000616318648	ref	3.3	-11.35	0	252.314	1.227	1	4	4	C[C@H]1[C@@H](CO)CCCN1C(=O)CCc1ccon1
342090270	ZINC000616318815	ref	4.8	-12.86	0	292.314	1.924	1	5	6	CCOc1ccc(NC(=O)CCc2cn(C)nn2)c(F)c1
342090271	ZINC000616318870	ref	2.11	-9.84	0	273.373	1.049	1	4	8	COCCCOCCC(=O)N1CCC[C@H](CO)[C@@H]1C
342090272	ZINC000046887135	ref	4.62	-11.56	0	292.379	1.536	1	4	6	CCOc1ccccc1C(=O)N[C@H](C)CN1CCOCC1
214201771	ZINC000278510217	ref	9.19	-9.78	0	318.446	3.41	0	6	7	CCCn1c(SC2CC(OCC)C2)nnc1-c1ccncc1
342090273	ZINC000046887135	low	6.95	-45.83	1	292.379	1.536	2	3	6	CCOc1ccccc1C(=O)N[C@H](C)C[NH+]1CCOCC1
342090274	ZINC000057400110	ref	4.88	-16.87	0	276.336	1.021	2	3	6	COc1cccc(C[C@@H](NC(C)=O)C(=O)NC2CC2)c1
342090275	ZINC000616318802	ref	4.4	-16.24	0	298.427	1.547	2	3	6	CC(=O)N[C@H](CCC(C)C)C(=O)N1CCC[C@@H](CO)[C@@H]1C
342090276	ZINC000146273131	ref	-1.57	-17.53	0	287.385	1.507	1	5	4	Cc1nnc([C@@H](N[S@@](=O)C(C)(C)C)C2(C)COC2)o1
342090277	ZINC000616318879	ref	4.01	-7.27	0	269.385	1.809	1	3	3	C[C@H]1[C@H](CO)CCCN1C(=O)[C@@H]1C[C@H]1OC(C)(C)C
214201775	ZINC000278511355	ref	3.06	-16.36	0	307.375	1.062	1	5	4	Cc1ccc(C(=O)NCc2ncccc2S(C)(=O)=O)n1C
214201777	ZINC000278509622	ref	2.17	-20.78	0	311.769	2.283	3	3	7	CCC(=O)Nc1ccc(Cl)c(NC(=O)CCCC(N)=O)c1
214201781	ZINC000278511930	ref	3.56	-17.52	0	321.358	1.095	0	7	3	COC(=O)C[C@H]1CN(C(=O)c2nc3cccnc3s2)CCO1
342090278	ZINC000616318642	ref	-0.14	-39.75	-1	291.307	1.161	1	5	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1
342090279	ZINC000625368885	ref	1.26	-14.09	0	285.225	1.947	1	4	4	O=C(Cc1cc(C(F)(F)F)ccn1)NCc1cocn1
342090280	ZINC000146231527	ref	7.27	-18.09	0	254.242	1.665	0	6	5	CCOC(=O)[C@H](C)c1cnc([N+](=O)[O-])c(OC)c1
342090281	ZINC000616318851	ref	4.34	-8.31	0	291.376	1.924	1	5	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ncnc2sccc12
342090282	ZINC000046885729	ref	4.12	-7.02	0	268.401	1.794	1	3	5	C[C@@H](CN1CCOCC1)NC(=O)CC1CCCCC1
342603282	ZINC000617006583	mid	7.41	-39.05	1	290.411	1.504	3	2	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1
342603283	ZINC000617006583	low	6.36	-83.24	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1
214201772	ZINC000053825662	ref	8.17	-35.38	1	325.275	3.669	1	2	6	CC[NH2+][C@@H](Cc1ccccn1)Cc1ccc(Br)s1
342603284	ZINC000617006583	low	7.87	-86.27	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH+]c[nH]c2C1
342603285	ZINC000617006583	low	6.35	-83.51	2	290.411	1.504	3	1	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1
214201782	ZINC000053825665	ref	8.93	-35.74	1	325.275	3.669	1	2	6	CC[NH2+][C@H](Cc1ccccn1)Cc1ccc(Br)s1
214201785	ZINC000053837757	ref	8.26	-17.67	0	337.379	2.664	1	5	3	Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4COCCO4)cc3)nc12
214201790	ZINC000053837757	low	8.71	-35.99	1	337.379	2.664	1	4	3	Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4COCCO4)cc3)[nH+]c12
214201793	ZINC000053837633	ref	9.01	-17.54	0	331.379	3.296	1	5	3	Cc1cccn2cc(-c3ccc(NC(=O)c4cnn(C)c4)cc3)nc12
214201797	ZINC000053837633	low	9.46	-35.23	1	331.379	3.296	1	4	3	Cc1cccn2cc(-c3ccc(NC(=O)c4cnn(C)c4)cc3)[nH+]c12
214201800	ZINC000053832656	ref	8.83	-38.55	1	342.174	4.451	1	0	6	CCC[NH2+][C@H](Cc1cc(F)ccc1Br)CC(F)(F)F
214201805	ZINC000053845564	ref	6.77	-30.54	0	346.364	2.406	1	7	4	COC(=O)c1sc2[nH]c(CC(=O)c3ccoc3C)nc(=O)c2c1C
342603286	ZINC000617006583	low	7.87	-86.75	2	290.411	1.504	3	1	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]c[nH+]c2C1
342603287	ZINC000617006583	high	4.52	-11.9	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCc2nc[nH]c2C1
342603288	ZINC000617006583	high	4.52	-10.99	0	290.411	1.504	2	3	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCc2[nH]cnc2C1
342603289	ZINC000617006557	ref	3.95	-35.56	1	298.427	1.419	2	3	5	COCC1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOCC1
214201810	ZINC000053845564	high	6.35	-47.39	-1	346.364	2.406	0	7	4	COC(=O)c1sc2[n-]c(CC(=O)c3ccoc3C)nc(=O)c2c1C
214201814	ZINC000053825513	ref	10.7	-15.47	0	325.412	2.494	0	4	5	Cc1ccc2ncn(CC(=O)N(C3CC3)[C@H](C)C3CC3)c(=O)c2c1
361824067	ZINC000612426633	ref	5.33	-14.47	0	321.421	2.128	2	4	7	CCc1n[nH]c(=O)c(CNC(=O)[C@H](OC)C2CCCC2)c1CC
168365694	ZINC000368504148	ref	6.93	-40.25	1	328.497	3.019	2	3	5	C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC[C@@H]1C
365650834	ZINC000336563450	low	8.99	-101.69	2	259.397	2.306	2	1	2	Cc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cn1
365650839	ZINC000336563450	low	8.51	-105.78	2	259.397	2.306	2	1	2	Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1
342603290	ZINC000617006557	mid	4.57	-35.82	1	298.427	1.419	2	3	5	COCC1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOCC1
342603291	ZINC000617006557	high	2.03	-7.14	0	298.427	1.419	1	4	5	COCC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOCC1
342603292	ZINC000617006931	ref	6.05	-44.23	1	265.357	1.515	2	3	4	Cc1cc(CC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)on1
214201779	ZINC000293801051	ref	2.85	-18.38	0	360.407	0.949	0	5	5	COc1ccc(F)c(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c1OC
199273364	ZINC000181262464	mid	1.9	-15.34	0	320.437	1.276	2	4	5	CC(C)c1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cc(=O)[nH]1
342603293	ZINC000617006931	mid	4.93	-45.07	1	265.357	1.515	2	3	4	Cc1cc(CC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)on1
342603294	ZINC000617006931	high	3.03	-13.31	0	265.357	1.515	1	4	4	Cc1cc(CC(=O)NC[C@H]2CCN2C(C)(C)C)on1
214201784	ZINC000293802858	ref	5.47	-25.99	0	371.415	0.774	0	6	6	Cc1cc(OCC(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-]
342603295	ZINC000590879603	ref	5.32	-12.47	0	297.395	1.633	2	4	4	COC(=O)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[C@H]1O
214201788	ZINC000293806175	ref	0.26	-15.25	0	363.233	0.957	1	4	4	COC[C@@H]1CCN1C(=O)c1cc(S(N)(=O)=O)ccc1Br
342603296	ZINC000617006293	ref	5.76	-37.98	1	296.333	1.943	2	2	5	CO[C@H](CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C(F)(F)F
214201795	ZINC000293804433	ref	2.18	-12.15	0	354.403	0.808	2	6	9	CCN(CCOCCO)C(=O)C(=O)Nc1cc(OC)c(C)c(OC)c1
282123820	ZINC000245419061	high	4.1	-9.87	0	335.452	1.339	1	5	4	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2n2cccn2)CCO1
197610990	ZINC000290145474	ref	4.04	-16.5	0	295.316	1.908	0	6	4	O=S(=O)(Cc1ccon1)Oc1ccc2c(c1)CCCO2
342603297	ZINC000617006293	mid	4.64	-38.14	1	296.333	1.943	2	2	5	CO[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C(F)(F)F
197610991	ZINC000290144138	ref	3.49	-15.1	0	265.309	1.598	2	4	6	COC(=O)C[C@H](C)CC(=O)NCc1ccc(O)cc1
342603298	ZINC000617006293	high	2.74	-6.78	0	296.333	1.943	1	3	5	CO[C@H](CC(=O)NC[C@H]1CCN1C(C)(C)C)C(F)(F)F
342603299	ZINC000590881498	ref	3.02	-13.97	0	257.277	1.264	1	3	3	C[C@@H]1[C@H](O)CCN1C(=O)CSCC(F)(F)F
342609871	ZINC000590928873	mid	3.13	-11.3	0	266.389	1.566	3	2	5	CC[N@H+]1C[C@H](C)[C@@H](NC(=O)NCC(C)(C)CC#N)C1
342609872	ZINC000590928873	high	3.13	-11.3	0	266.389	1.566	2	3	5	CCN1C[C@H](C)[C@@H](NC(=O)NCC(C)(C)CC#N)C1
342090283	ZINC000046885729	low	6.52	-42.78	1	268.401	1.794	2	2	5	C[C@@H](C[NH+]1CCOCC1)NC(=O)CC1CCCCC1
349536150	ZINC000621244525	ref	4.46	-12.84	0	292.314	2.198	2	4	4	COc1ccc(F)c(CNC(=O)Nc2cc(C)nn2C)c1
222609665	ZINC000222509624	ref	4.29	-22.45	0	398.868	3.005	1	5	6	COc1ccc(NC(=O)c2ccc(N(C)S(C)(=O)=O)cc2Cl)cc1OC
342090284	ZINC000616318880	ref	3.99	-8.57	0	269.385	1.809	1	3	3	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1C[C@H]1OC(C)(C)C
342090285	ZINC000112464650	ref	7.63	-91.39	2	296.459	1.502	4	1	9	CCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1
342090286	ZINC000112464650	mid	7.62	-91.3	2	296.459	1.502	4	1	9	CCCC[N@@H+](C)CCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1
342090287	ZINC000112464650	mid	7.47	-90.58	2	296.459	1.502	4	1	9	CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1
342090288	ZINC000112464650	mid	7.62	-91.3	2	296.459	1.502	4	1	9	CCCC[NH+](C)CCNC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1
214201783	ZINC000278511145	ref	5.85	-15.98	0	309.373	2.063	1	5	3	Cc1cccn2c(=O)cc(CN3CCC[C@H]3c3cc[nH]n3)nc12
342090289	ZINC000600318649	ref	6.58	-10.24	0	264.325	1.595	0	4	5	COC(=O)[C@H](C)N(C)C(=O)C[C@H](C)c1ccncc1
210255924	ZINC000272863343	high	4.79	-7.76	0	315.413	3.396	2	4	7	COc1cccc([C@H](O)CN[C@@H](C)c2ccc(OC)c(C)c2)c1
342090290	ZINC000121899598	ref	5.45	-45.18	1	262.353	1.37	2	2	4	CNC(=O)CC[N@@H+]1CCO[C@](C)(c2ccccc2)C1
342090291	ZINC000121899598	mid	5.21	-47.51	1	262.353	1.37	2	2	4	CNC(=O)CC[N@H+]1CCO[C@](C)(c2ccccc2)C1
342090292	ZINC000121899598	mid	3.35	-10.08	0	262.353	1.37	1	3	4	CNC(=O)CCN1CCO[C@](C)(c2ccccc2)C1
342090293	ZINC000187396205	ref	7.61	-56.5	1	296.371	1.472	2	4	6	Cn1c(SCC[N@H+](C)Cc2ccc(F)cc2)n[nH]c1=O
342090294	ZINC000187396205	mid	7.61	-56.48	1	296.371	1.472	2	4	6	Cn1c(SCC[N@@H+](C)Cc2ccc(F)cc2)n[nH]c1=O
342090295	ZINC000187396205	high	5.3	-10.28	0	296.371	1.472	1	5	6	CN(CCSc1n[nH]c(=O)n1C)Cc1ccc(F)cc1
210255930	ZINC000272863012	ref	3.27	-12.03	0	319.361	0.215	2	4	2	CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(C)c2C)CCO1
342090296	ZINC000616318805	ref	4.59	-17.84	0	298.427	1.547	2	3	6	CC(=O)N[C@H](CCC(C)C)C(=O)N1CCC[C@@H](CO)[C@H]1C
342090297	ZINC000616318877	ref	4.02	-7.17	0	269.385	1.809	1	3	3	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1C[C@H]1OC(C)(C)C
342090298	ZINC000146231322	ref	7.27	-18.1	0	254.242	1.665	0	6	5	CCOC(=O)[C@@H](C)c1cnc([N+](=O)[O-])c(OC)c1
342090299	ZINC000616318765	ref	1.45	-11.63	0	263.337	1.412	2	3	3	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc(CO)cc1
178326072	ZINC000237720957	ref	4.33	-42.97	1	368.572	1.875	2	5	6	Cc1nc(CN2CCC(CNC(=O)C[C@H]3CSCC[NH2+]3)CC2)cs1
178326075	ZINC000237720957	mid	7.08	-87.41	2	368.572	1.875	3	4	6	Cc1nc(C[NH+]2CCC(CNC(=O)C[C@H]3CSCC[NH2+]3)CC2)cs1
178326077	ZINC000237720957	high	3.27	-12.77	0	368.572	1.875	2	6	6	Cc1nc(CN2CCC(CNC(=O)C[C@H]3CSCCN3)CC2)cs1
178326080	ZINC000237724177	ref	3.87	-60.79	1	365.499	1.78	2	3	4	CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])cc2C[C@@H]1C
214201786	ZINC000278511145	low	8.42	-36.92	1	309.373	2.063	2	4	3	Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]3c3cc[nH]n3)nc12
178326082	ZINC000237713503	ref	9.07	-47.52	1	355.482	1.598	1	2	3	Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1
178326086	ZINC000237721436	ref	8.9	-59.6	1	356.474	1.554	2	5	5	Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC[C@H]3CCC[NH2+]C3)c2C)n1
214201789	ZINC000278511145	low	8.36	-37.25	1	309.373	2.063	2	4	3	Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@H]3c3cc[nH]n3)nc12
178326089	ZINC000237714831	ref	3.27	-52.89	1	362.455	1.639	2	5	5	Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
178326092	ZINC000237725054	ref	3.21	-50.05	1	366.893	1.262	3	3	9	O=C(CCCNC(=O)c1ccc(Cl)cc1)NCCCN1CC[NH2+]CC1
178326095	ZINC000237719417	ref	7.83	-78.55	-1	358.398	1.118	1	6	3	Cc1[nH]c2ccnn2c(=O)c1CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21
178326097	ZINC000237722018	ref	7.92	-68.3	1	356.474	1.682	2	5	5	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@@H]3CCC[C@H]3C[NH3+])c2C)n1
178326101	ZINC000237717900	ref	6.05	-44.08	1	369.387	1.824	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1)[C@H]1CCC[NH2+]1
214201792	ZINC000278510910	ref	2.43	-11.76	0	306.362	1.404	1	5	4	C[C@@H]1COCC[C@@H]1NC(=O)c1ccnc(O[C@@H]2CCOC2)c1
178326104	ZINC000237720241	ref	11.31	-73.81	-1	357.414	1.514	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC[C@@H]3C(=O)[O-])c2C)n1
178326107	ZINC000237710456	ref	5.1	-50.61	1	354.476	1.679	3	5	8	Cc1cc(NC(=O)CSCC(=O)N[C@@H](C[NH3+])C2CCCCC2)no1
178326110	ZINC000237712225	ref	1.95	-56.14	1	360.365	1.608	2	6	4	O=C(NCc1nc(C(F)(F)F)cs1)c1cn(C2CC[NH2+]CC2)nn1
178326115	ZINC000237719832	ref	11.55	-61.15	-1	371.441	1.762	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC(C(=O)[O-])CC3)c2C)n1
185091616	ZINC000096081409	mid	9.2	-40.02	1	288.41	2.989	1	1	4	Fc1ccccc1CN1C[C@H]2CC[N@@H+](CC3CC3)C[C@H]2C1
214201796	ZINC000278510650	ref	5.66	-51.42	-1	309.406	2.57	1	4	6	C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)[N-]OCC(C)(C)O
342090300	ZINC000616319036	ref	2.45	-15.86	0	293.363	1.177	2	4	5	C[C@H]1[C@@H](CO)CCCN1C(=O)COc1ccc(CO)cc1
365650838	ZINC000625121173	ref	0.74	-7.37	0	317.393	2.371	0	7	5	COc1cncc(CN2CCC[C@H](c3noc(C(C)C)n3)C2)n1
214201799	ZINC000278510981	ref	8.28	-42.17	1	313.449	2.425	2	3	6	Cc1nc([C@H]2CCCN(CC[N@@H+](C)Cc3ccccc3)C2)n[nH]1
365650844	ZINC000625121173	low	3.19	-40.13	1	317.393	2.371	1	6	5	COc1cncc(C[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1
214201803	ZINC000278510981	mid	8.26	-42.26	1	313.449	2.425	2	3	6	Cc1nc([C@H]2CCCN(CC[N@H+](C)Cc3ccccc3)C2)n[nH]1
365650849	ZINC000625121173	low	3.35	-40.32	1	317.393	2.371	1	6	5	COc1cncc(C[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1
230745178	ZINC000425622810	ref	5.34	-16.6	0	317.311	2.08	0	4	4	COc1ccnc(N(C)C(=O)[C@H]2CCCN2CC(F)(F)F)c1
365654363	ZINC000274405960	low	6.0	-41.05	1	293.415	1.734	3	2	5	Cc1[nH]ncc1CNC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C
365654366	ZINC000274405960	low	5.82	-42.56	1	293.415	1.734	3	2	5	Cc1[nH]ncc1CNC(=O)N(C)CC[C@H]1CCCC[N@H+]1C
214201806	ZINC000278510981	mid	8.37	-43.32	1	313.449	2.425	2	3	6	Cc1n[nH]c([C@H]2CCCN(CC[N@@H+](C)Cc3ccccc3)C2)n1
214201809	ZINC000278510981	mid	8.35	-43.47	1	313.449	2.425	2	3	6	Cc1n[nH]c([C@H]2CCCN(CC[N@H+](C)Cc3ccccc3)C2)n1
398254105	ZINC000381352953	mid	1.16	-48.91	1	237.307	-0.252	2	3	3	C[C@H]([NH3+])[C@@H](C)N=c1ccc(C(=O)N(C)C)n[nH]1
230745188	ZINC000425618586	ref	5.92	-13.62	0	304.375	2.269	0	6	5	CCSc1nccnc1C(=O)N(C)c1cc(OC)ccn1
214201812	ZINC000278511924	ref	3.36	-14.73	0	315.373	1.769	2	5	6	COc1ccc(C(=O)NC[C@@H](O)c2cnn(C)c2)cc1C1CC1
214201816	ZINC000278510811	ref	8.68	-41.22	1	314.433	2.577	1	4	6	CCOc1ccccc1C[NH2+][C@@H]1CCCN(c2ccnn2C)C1
214201820	ZINC000278510811	high	7.45	-6.01	0	314.433	2.577	1	5	6	CCOc1ccccc1CN[C@@H]1CCCN(c2ccnn2C)C1
342090301	ZINC000616318753	ref	4.34	-10.71	0	274.364	1.731	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2cccnc21
342090302	ZINC000046885848	ref	4.82	-12.6	0	287.319	1.53	1	3	1	CNC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1
342090303	ZINC000600318613	ref	5.5	-11.43	0	278.333	1.93	0	5	3	COC(=O)[C@H](C)N(C)C(=O)c1cnc2ccsc2c1
342090304	ZINC000600318637	ref	6.84	-10.9	0	271.263	1.907	0	3	3	COC(=O)[C@H](C)N(C)C(=O)c1cc(F)c(C)cc1F
342603300	ZINC000590880956	ref	5.29	-43.3	1	274.43	1.043	2	3	7	CC[NH+](CC)CCSCC(=O)N1CC[C@@H](O)[C@H]1C
342603301	ZINC000590880873	ref	3.6	-10.13	0	274.32	1.807	2	4	5	CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cc(O)cc(C#N)c1
214201801	ZINC000293795134	ref	1.6	-21.58	0	368.455	0.496	2	5	6	O=C(NC[C@H]1CC[C@@H](CO)O1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1
342603302	ZINC000590880873	mid	4.36	-37.58	-1	274.32	1.807	1	4	5	CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1
295667001	ZINC000412997204	ref	6.85	-11.6	0	309.822	2.845	1	4	3	Cn1c(SC[C@H]2CCCNC2=O)nc2cc(Cl)ccc21
342603303	ZINC000590880314	ref	2.14	-12.55	0	260.293	1.419	2	4	2	CC1(C)COC[C@@H]1NC(=O)c1cc(O)cc(C#N)c1
210255935	ZINC000272862817	ref	7.74	-40.76	1	318.461	2.518	2	2	7	C[C@@H](C(=O)N1CCC(CCCO)CC1)[N@H+](C)Cc1ccccc1
342603304	ZINC000590880314	mid	2.89	-35.19	-1	260.293	1.419	1	4	2	CC1(C)COC[C@@H]1NC(=O)c1cc([O-])cc(C#N)c1
214201807	ZINC000293796673	ref	2.68	-18.66	0	358.416	0.84	1	6	8	COCc1cc(NC(=O)CCS(=O)(=O)N(C)C)cc(C(=O)OC)c1
210255937	ZINC000272862817	mid	7.74	-39.52	1	318.461	2.518	2	2	7	C[C@@H](C(=O)N1CCC(CCCO)CC1)[N@@H+](C)Cc1ccccc1
210255942	ZINC000272862817	mid	5.26	-10.7	0	318.461	2.518	1	3	7	C[C@@H](C(=O)N1CCC(CCCO)CC1)N(C)Cc1ccccc1
210255947	ZINC000272862062	ref	1.21	-9.35	0	301.412	1.863	2	5	8	CC[C@@H](NC(=O)NC[C@@H](COC)OC)c1nc(C)cs1
210255949	ZINC000272862998	ref	6.37	-22.36	0	319.321	1.065	2	7	5	C[C@@H](O)C(C)(C)NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1
210255955	ZINC000272863277	ref	4.46	-13.59	0	322.317	0.337	2	6	5	COC(=O)c1ccccc1NC(=O)C(=O)NC[C@H](C)C(=O)OC
214201813	ZINC000293793665	ref	4.58	-11.31	0	362.43	0.881	1	6	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1
342603305	ZINC000590880971	ref	4.13	-15.52	0	294.351	1.267	2	4	3	CCc1[nH]c(C(=O)N2CC[C@@H](O)[C@H]2C)c(C)c1C(=O)OC
342603306	ZINC000590880612	ref	5.5	-46.77	1	287.363	1.82	2	3	3	CC[C@H](C)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1
214201817	ZINC000293800587	ref	5.44	-10.25	0	373.324	0.803	2	9	4	Cc1nnsc1CNC(=O)c1nc(C)n(-c2nc(C(F)(F)F)n[nH]2)n1
168367893	ZINC000036863399	ref	4.33	-10.67	0	209.293	1.857	2	2	4	CCC(CC)N(C)C(=O)c1cc(N)c[nH]1
342603307	ZINC000590880612	high	4.41	-35.58	-1	287.363	1.82	0	4	3	CC[C@H](C)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1
342603308	ZINC000590880102	ref	5.3	-14.57	0	299.411	1.975	1	4	4	COC(=O)CC(C)(C)CC(=O)N1CC[C@H](O)CC(C)(C)C1
342090305	ZINC000616318835	ref	1.6	-10.22	0	282.34	1.235	1	5	5	COc1cc(CCC(=O)N2CCC[C@H](CO)[C@H]2C)on1
214201804	ZINC000337659481	ref	-0.94	-13.54	0	279.34	0.485	4	3	6	CCc1c(C(=O)NC[C@@H](O)C2CC2)[nH]c(C)c1C(N)=O
342090306	ZINC000616318803	ref	4.39	-14.78	0	298.427	1.547	2	3	6	CC(=O)N[C@H](CCC(C)C)C(=O)N1CCC[C@H](CO)[C@H]1C
342090307	ZINC000050953541	ref	8.56	-13.94	0	274.353	1.798	1	7	5	CCc1cc(NCCc2nccs2)n2ncnc2n1
214201808	ZINC000337658362	ref	6.32	-12.48	0	257.692	2.384	1	2	5	O=C(COc1cc(Cl)ccc1F)NCC1CC1
214201811	ZINC000337659650	ref	6.8	-13.96	0	273.332	3.456	0	3	2	COc1ccc2occ(C(=O)N3CCCC[C@H]3C)c2c1
342090308	ZINC000616318639	ref	3.19	-11.71	0	252.314	1.47	1	4	3	CCc1nocc1C(=O)N1CCC[C@@H](CO)[C@H]1C
342090309	ZINC000616318636	ref	3.12	-11.07	0	252.314	1.47	1	4	3	CCc1nocc1C(=O)N1CCC[C@H](CO)[C@H]1C
214201815	ZINC000337658017	ref	1.36	-19.14	0	259.331	0.237	1	6	4	C[C@H](O)CS(=O)(=O)c1nnc(C2CCC2)n1C
342090310	ZINC000625368882	ref	6.64	-37.77	1	258.431	1.976	2	2	3	C[C@@H]1CCSCC[N@@H+]1CC(=O)NCC(C)(C)C
342090311	ZINC000625368882	mid	6.76	-35.96	1	258.431	1.976	2	2	3	C[C@@H]1CCSCC[N@H+]1CC(=O)NCC(C)(C)C
342090312	ZINC000625368882	mid	5.13	-7.21	0	258.431	1.976	1	3	3	C[C@@H]1CCSCCN1CC(=O)NCC(C)(C)C
342090313	ZINC000616318746	ref	3.29	-17.49	0	291.347	1.828	2	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@@H](CO)[C@H]2C)cc1O
342090314	ZINC000616318746	high	4.3	-64.49	-1	291.347	1.828	1	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@@H](CO)[C@H]2C)cc1[O-]
342090315	ZINC000616318754	ref	4.73	-7.58	0	274.364	1.731	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2cccnc21
342090316	ZINC000600318648	ref	6.58	-9.79	0	264.325	1.595	0	4	5	COC(=O)[C@H](C)N(C)C(=O)C[C@@H](C)c1ccncc1
342090317	ZINC000616318887	ref	1.64	-15.7	0	291.307	1.563	1	6	3	C[C@H]1[C@H](CO)CCCN1C(=O)c1ncoc1-c1ccon1
349536151	ZINC000594973592	high	8.41	-8.6	0	286.375	2.718	1	4	5	COC(=O)c1cc(CNCc2cc(C)cc(C)c2)cn1C
342090318	ZINC000035203721	ref	3.17	-12.59	0	257.33	1.556	2	3	6	C[C@H](O)CNC(=O)CSCc1ccc(F)cc1
342090319	ZINC000616318645	ref	3.32	-10.26	0	252.314	1.227	1	4	4	C[C@@H]1[C@@H](CO)CCCN1C(=O)CCc1ccon1
342090320	ZINC000146273319	ref	-1.32	-13.11	0	287.385	1.507	1	5	4	Cc1nnc([C@H](N[S@@](=O)C(C)(C)C)C2(C)COC2)o1
398250033	ZINC000650873337	ref	2.99	-11.91	0	297.355	1.144	2	5	4	COC[C@H]1C[C@@H](O)CN1C(=O)N[C@H](C)c1c(C)noc1C
342090321	ZINC000046886200	ref	4.39	-11.7	0	292.379	1.211	1	4	6	Cc1ccc(OCC(=O)N[C@H](C)CN2CCOCC2)cc1
214201818	ZINC000053832718	ref	8.21	-35.29	1	330.213	4.374	1	1	6	CCC[NH2+][C@@H](Cc1sccc1Br)CC(F)(F)F
398250035	ZINC000145635016	ref	3.39	-13.25	0	296.392	1.969	2	3	6	CCC(=O)Nc1ccc(S(=O)(=O)NC[C@H]2C[C@H]2C)cc1
342603309	ZINC000590880917	ref	4.84	-12.73	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cccc([S@](C)=O)c1
214201825	ZINC000053835636	ref	11.78	-24.45	0	329.36	1.943	1	6	5	C[C@@H](NC(=O)Cn1cnc([N+](=O)[O-])n1)c1ccc2c(c1)CCCC2
398250038	ZINC000360090483	ref	5.22	-45.9	1	281.4	1.231	2	3	7	C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(CCCO)CC1
214201832	ZINC000053843777	ref	8.77	-27.49	0	342.42	3.436	1	5	3	Cc1occc1C(=O)Cc1nc(=O)c2c3c(sc2[nH]1)C[C@@H](C)CC3
214201836	ZINC000053831346	ref	8.28	-41.24	1	340.286	3.892	1	2	6	C[NH2+][C@@H](Cc1cccc(OC)c1)Cc1sccc1Br
214201840	ZINC000053841491	ref	9.67	-16.66	0	335.477	2.702	1	6	8	CCCCc1c(C)nc2nc(SCC(=O)NCCC)nn2c1C
214201848	ZINC000053842073	ref	8.61	-23.25	0	349.394	2.215	2	5	6	CC(=O)Nc1cccc(C(=O)NCc2cccc(Cn3cncn3)c2)c1
365650845	ZINC000336563450	low	8.99	-101.69	2	259.397	2.306	2	1	2	Cc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cn1
282123821	ZINC000533474852	ref	3.41	-6.07	0	290.363	1.553	2	3	2	Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@H](C)O)C2)cc1
342603310	ZINC000590880389	ref	5.22	-14.02	0	294.311	1.493	1	5	2	O=C(c1n[nH]cc1[N+](=O)[O-])N1CCOCC12CCCCC2
342603311	ZINC000590880352	ref	3.2	-25.91	0	281.377	1.579	1	3	3	C[S@](=O)c1cccc(C(=O)N[C@@H]2COCC2(C)C)c1
342603312	ZINC000590880881	ref	3.98	-8.47	0	282.296	1.004	1	6	6	COC(=O)c1cc(C(=O)N[C@H](C)[C@@H](OC)C2CC2)on1
222609676	ZINC000283803322	ref	4.46	-12.21	0	307.375	1.601	1	5	5	C=CCn1c(S(=O)(=O)[C@H](C)c2cccc(C)c2)n[nH]c1=O
185386290	ZINC000096748142	ref	5.17	-16.79	0	314.386	2.032	3	4	4	CC(C)(C)OC(=O)NCCNC(=S)Nc1ccc(F)cn1
210255961	ZINC000272863345	ref	5.95	-46.0	1	315.413	3.396	2	3	7	COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)c(C)c2)c1
214201854	ZINC000053837429	ref	9.49	-16.24	0	328.375	3.957	1	4	3	Cc1cccn2cc(-c3ccc(NC(=O)c4ccncc4)cc3)nc12
282123826	ZINC000533474865	ref	4.33	-7.99	0	267.285	1.156	2	4	3	C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])[nH]2)C1
192340799	ZINC000421453478	ref	4.78	-11.86	0	223.32	1.684	1	3	4	CC(C)[C@@H](C)NC(=O)[C@@H](C)c1ccnn1C
365650852	ZINC000336563328	ref	6.86	-10.35	0	276.336	2.429	0	3	3	COc1ccc([C@@H](C)N2C(=O)N(C)C(C)(C)C2=O)cc1
349536152	ZINC000621500067	ref	8.68	-11.57	0	294.345	3.434	1	1	4	C[C@@H]1CN(C(=O)NCC[C@H]2CC2(F)F)[C@@H]1c1ccccc1
214201822	ZINC000293800587	mid	5.63	-10.87	0	373.324	0.803	2	9	4	Cc1nnsc1CNC(=O)c1nc(C)n(-c2nnc(C(F)(F)F)[nH]2)n1
214201827	ZINC000293797062	ref	4.97	-21.17	0	365.455	0.458	0	4	4	CN(C(=O)CN1C(=O)CCc2ccccc21)[C@@H]1CCN(S(C)(=O)=O)C1
214201834	ZINC000293795717	ref	1.48	-15.1	0	362.354	0.869	1	5	5	COC[C@@H]1CCN1C(=O)C(=O)Nc1cccc(S(=O)(=O)C(F)F)c1
342090322	ZINC000046886200	low	6.74	-48.76	1	292.379	1.211	2	3	6	Cc1ccc(OCC(=O)N[C@H](C)C[NH+]2CCOCC2)cc1
342090323	ZINC000616318747	ref	3.2	-17.32	0	291.347	1.828	2	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@H](CO)[C@H]2C)cc1O
214201839	ZINC000293802845	ref	2.11	-20.22	0	371.415	0.54	3	6	9	O=C(CNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H](CO)CC1CCC1
342090324	ZINC000616318747	high	4.21	-51.31	-1	291.347	1.828	1	4	3	CC(=O)c1ccc(C(=O)N2CCC[C@H](CO)[C@H]2C)cc1[O-]
214201843	ZINC000293802845	high	1.84	-57.83	-1	371.415	0.54	2	6	9	O=C(C[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H](CO)CC1CCC1
214201846	ZINC000293803855	ref	2.67	-22.51	0	369.399	0.405	2	6	5	C[C@H]1[C@@H](NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)CCS1(=O)=O
210255893	ZINC000004713380	ref	11.09	-3.23	0	340.264	5.584	1	1	1	Cc1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2
197611010	ZINC000290145139	ref	2.89	-10.88	0	269.37	1.841	1	4	4	COCc1nc(CNC(=O)N2CC[C@@H](C)C2)cs1
282123822	ZINC000449156369	ref	3.78	-47.7	1	280.416	2.027	2	4	6	CCn1nnc(C)c1C[NH2+][C@](C)(CO)C1CCCCC1
282123832	ZINC000449156369	high	2.53	-10.09	0	280.416	2.027	2	5	6	CCn1nnc(C)c1CN[C@](C)(CO)C1CCCCC1
342090325	ZINC000121899422	ref	6.1	-12.49	0	289.331	1.442	0	4	3	CC(=O)C[C@H]1COCCN1C(=O)c1ccc2c(c1)CCO2
342090326	ZINC000616318755	ref	4.83	-9.73	0	274.364	1.731	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@H]1CCc2cccnc21
342090327	ZINC000616318852	ref	4.31	-8.17	0	291.376	1.924	1	5	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1ncnc2sccc12
342090328	ZINC000600318459	ref	8.4	-13.1	0	297.351	1.13	0	5	3	COC(=O)[C@H]1CC[C@H](C(=O)OC)N(C(=O)C2CCCC2)C1
342090329	ZINC000616318768	ref	1.52	-12.47	0	263.337	1.412	2	3	3	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc(CO)cc1
342090330	ZINC000616318646	ref	3.29	-10.97	0	252.314	1.227	1	4	4	C[C@@H]1[C@H](CO)CCCN1C(=O)CCc1ccon1
342090331	ZINC000616318853	ref	4.31	-9.33	0	291.376	1.924	1	5	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ncnc2sccc12
342090332	ZINC000616318804	ref	4.57	-16.78	0	298.427	1.547	2	3	6	CC(=O)N[C@H](CCC(C)C)C(=O)N1CCC[C@H](CO)[C@@H]1C
210255901	ZINC000004714368	ref	6.21	-13.38	0	337.427	3.635	1	6	5	COc1ccccc1NC(C)(C)c1nnnn1-c1c(C)cccc1C
342090333	ZINC000310112864	ref	0.31	-6.37	0	261.665	1.062	2	6	6	COC[C@H](O)CNc1c(Cl)cncc1[N+](=O)[O-]
342090334	ZINC000600318461	ref	7.57	-11.6	0	297.351	1.13	0	5	3	COC(=O)[C@@H]1CC[C@H](C(=O)OC)N(C(=O)C2CCCC2)C1
342090335	ZINC000616318774	ref	3.81	-10.32	0	255.358	1.421	1	3	4	CO[C@H](C(=O)N1CCC[C@@H](CO)[C@@H]1C)C1CCC1
342090336	ZINC000616318775	ref	3.8	-10.55	0	255.358	1.421	1	3	4	CO[C@H](C(=O)N1CCC[C@H](CO)[C@H]1C)C1CCC1
342090337	ZINC000616318776	ref	3.91	-12.05	0	255.358	1.421	1	3	4	CO[C@H](C(=O)N1CCC[C@H](CO)[C@@H]1C)C1CCC1
342090338	ZINC000616318643	ref	-0.14	-41.87	-1	291.307	1.161	1	5	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc2oc(=O)nc-2[n-]1
365650850	ZINC000124409817	ref	7.31	-11.8	0	298.375	2.442	0	7	5	CCn1c(SCc2ccncc2)nnc1-c1cnccn1
365650865	ZINC000124391011	ref	1.82	-13.77	0	290.344	2.342	3	4	4	CC(=O)NCc1ccc(C(=O)Nc2ccc(O)cc2)s1
342090339	ZINC000616318766	ref	1.45	-10.84	0	263.337	1.412	2	3	3	C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc(CO)cc1
365650877	ZINC000124434094	ref	6.01	-9.18	0	297.358	2.443	1	4	4	C[C@@]1(CNC(=O)c2cnc(-c3ccccc3)nc2)CCCO1
342090340	ZINC000616318837	ref	1.62	-10.15	0	282.34	1.235	1	5	5	COc1cc(CCC(=O)N2CCC[C@@H](CO)[C@@H]2C)on1
343995687	ZINC000599277671	high	4.31	-12.62	0	270.373	1.32	1	4	7	CCC(=O)N[C@@H]1CCCN(CCCCC(=O)OC)C1
365650891	ZINC000124447341	ref	6.23	-12.99	0	288.347	2.011	1	4	5	C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCCO1
342090341	ZINC000600318458	ref	8.26	-12.84	0	297.351	1.13	0	5	3	COC(=O)[C@@H]1CC[C@@H](C(=O)OC)CN1C(=O)C1CCCC1
342090342	ZINC000616318869	ref	2.14	-9.88	0	273.373	1.049	1	4	8	COCCCOCCC(=O)N1CCC[C@@H](CO)[C@H]1C
342090343	ZINC000616318786	ref	2.81	-8.2	0	291.376	1.924	1	5	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1nc2cnccc2s1
342090344	ZINC000616318778	ref	3.7	-7.41	0	255.358	1.565	1	3	4	CCOC1(C(=O)N2CCC[C@@H](CO)[C@H]2C)CCC1
342090345	ZINC000616318789	ref	2.77	-9.09	0	291.376	1.924	1	5	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1nc2cnccc2s1
342090346	ZINC000616318637	ref	3.19	-10.74	0	252.314	1.47	1	4	3	CCc1nocc1C(=O)N1CCC[C@@H](CO)[C@@H]1C
342090347	ZINC000616318878	ref	4.01	-8.32	0	269.385	1.809	1	3	3	C[C@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1C[C@H]1OC(C)(C)C
343995688	ZINC000079977030	ref	2.12	-11.66	0	292.408	2.194	1	6	8	CCCCN(CCO)Cc1csc(-c2ncccn2)n1
282123823	ZINC000133193502	ref	3.03	-7.01	0	298.427	1.898	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
398250037	ZINC000183638069	ref	1.27	-41.78	1	236.315	1.554	3	2	5	C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1O
197611017	ZINC000290143324	ref	1.22	-16.61	0	256.277	1.033	3	3	5	C[C@H](O)CN(CCO)C(=O)Nc1cccc(F)c1
197611020	ZINC000290144036	ref	2.84	-9.14	0	250.298	1.803	0	4	3	CC[C@@H]1CN(C(=O)c2ocnc2C2CC2)CCO1
214201824	ZINC000337659203	ref	11.22	-13.83	0	282.347	3.02	0	5	4	Cc1ccccc1CN(C)c1nnc(-c2ccoc2)n1C
342090348	ZINC000046885630	ref	3.86	-16.79	0	288.307	1.822	2	5	4	C[C@@H](Cn1cccn1)NC(=O)Nc1ccc2c(c1)OCO2
214201828	ZINC000337660123	ref	4.94	-17.89	0	285.384	2.204	1	2	7	C[C@@H](CC(=O)NCCC[S@](C)=O)c1ccc(F)cc1
214201831	ZINC000337658305	ref	4.43	-6.37	0	253.386	2.48	2	2	5	CC1(C)CCC(CC(=O)NC[C@@H](O)C2CC2)CC1
282123842	ZINC000338128229	ref	4.09	-12.65	0	334.46	3.038	3	3	7	CCC(CC)(CO)CNC(=O)N[C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C
282123859	ZINC000271717872	ref	4.27	-19.1	0	323.393	2.754	3	4	8	CCC(CC)(CO)CNC(=O)N[C@H](C)c1ccccc1[N+](=O)[O-]
214201837	ZINC000337659131	ref	-0.72	-13.43	0	290.339	-0.325	4	3	6	C[C@@H](NC(=O)NCC(=O)NC(C)(C)C)C(=O)NCCF
282123869	ZINC000416017720	ref	-0.66	-57.01	1	299.337	1.364	4	2	8	CCC(CC)(CO)CNC(=O)N[C@H](CC[NH3+])C(F)(F)F
197611030	ZINC000290143878	ref	4.64	-9.94	0	299.374	2.149	2	4	5	C[C@@H](NC(=O)c1cnn(C)c1C1CC1)[C@@H](O)c1ccccc1
214201841	ZINC000337657734	ref	7.08	-42.97	1	297.349	2.421	3	1	6	CC[C@H](NC(=O)NCC[NH+]1CCC1)c1cc(F)ccc1F
342090349	ZINC000616318787	ref	2.78	-8.11	0	291.376	1.924	1	5	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1nc2cnccc2s1
342090350	ZINC000046885731	ref	4.1	-6.78	0	268.401	1.794	1	3	5	C[C@H](CN1CCOCC1)NC(=O)CC1CCCCC1
342090351	ZINC000046885731	low	6.43	-42.6	1	268.401	1.794	2	2	5	C[C@H](C[NH+]1CCOCC1)NC(=O)CC1CCCCC1
342090352	ZINC000616318889	ref	1.63	-17.46	0	291.307	1.563	1	6	3	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ncoc1-c1ccon1
342090353	ZINC000121899446	ref	5.21	-47.49	1	262.353	1.37	2	2	4	CNC(=O)CC[N@@H+]1CCO[C@@](C)(c2ccccc2)C1
342090354	ZINC000121899446	mid	5.45	-45.19	1	262.353	1.37	2	2	4	CNC(=O)CC[N@H+]1CCO[C@@](C)(c2ccccc2)C1
342090355	ZINC000121899446	mid	3.51	-9.89	0	262.353	1.37	1	3	4	CNC(=O)CCN1CCO[C@@](C)(c2ccccc2)C1
178326118	ZINC000237711469	ref	5.39	-62.6	1	361.486	1.776	2	3	8	Cc1ccc(OCCCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C
178326123	ZINC000237720378	ref	10.82	-62.78	-1	357.414	1.372	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CC[C@@H](C(=O)[O-])C3)c2C)n1
178326125	ZINC000237720421	ref	5.3	-52.59	1	369.469	1.579	3	4	7	Cc1nc(-c2cccnc2)[nH]c(=O)c1CCC(=O)NCC[C@H]1CCC[NH2+]C1
178326127	ZINC000237720421	mid	4.33	-75.53	0	369.469	1.579	2	4	7	Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCC[C@H]1CCC[NH2+]C1
342603313	ZINC000590880367	ref	5.31	-10.75	0	295.31	1.767	1	4	3	COC(=O)c1ccc(C(=O)N[C@@H]2COCC2(C)C)cc1F
185091618	ZINC000096080685	ref	6.34	-12.98	0	287.363	1.699	1	2	2	CC(C)NC(=O)N1C[C@@H]2CN(c3ccccc3)C(=O)[C@@H]2C1
178326130	ZINC000237710036	ref	4.41	-65.95	1	354.476	1.823	3	5	7	Cc1cc(NC(=O)CSCC(=O)NCC2([NH3+])CCCCCC2)no1
282123824	ZINC000248985859	mid	6.73	-51.67	1	324.377	1.835	2	5	7	CC[C@]1(C)C[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1
178326132	ZINC000237724010	ref	4.42	-60.46	1	373.478	1.962	2	3	5	CC(=O)N1c2ccc(S(=O)(=O)NC[C@H]([NH3+])c3ccccc3)cc2C[C@@H]1C
178326135	ZINC000237724010	high	4.06	-14.13	0	373.478	1.962	2	4	5	CC(=O)N1c2ccc(S(=O)(=O)NC[C@H](N)c3ccccc3)cc2C[C@@H]1C
178326137	ZINC000237720755	ref	6.89	-50.64	1	362.543	1.676	3	4	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CSCN3)CC2)c1
178326141	ZINC000237720755	mid	8.11	-95.75	2	362.543	1.676	3	3	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CSC[NH2+]3)CC2)c1
178326143	ZINC000237720755	high	4.69	-11.96	0	362.543	1.676	2	5	7	Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CSCN3)CC2)c1
178326146	ZINC000237710666	ref	3.88	-61.38	1	365.499	1.526	1	3	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)C1
178326150	ZINC000237720513	ref	11.3	-68.89	-1	371.441	1.762	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CC[C@](C)(C(=O)[O-])C3)c2C)n1
178326152	ZINC000237708932	ref	10.05	-65.61	-1	353.382	1.414	1	7	6	Cc1cc(C)n2nc(C(=O)NC[C@H](Cc3ccccc3)C(=O)[O-])nc2n1
342603314	ZINC000590880918	ref	4.84	-23.39	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cccc([S@@](C)=O)c1
199273365	ZINC000181262464	mid	4.33	-56.77	1	320.437	1.276	3	3	5	CC(C)c1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc(=O)[nH]1
342603315	ZINC000590880977	ref	2.78	-18.65	0	279.296	1.232	2	5	3	CNc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
214201826	ZINC000278509746	ref	7.64	-43.81	1	309.369	1.9	1	3	7	O=C1c2ccccc2C(=O)N1CC[NH2+]CCCc1ccccn1
365650851	ZINC000274397779	low	6.62	-36.81	1	295.383	1.442	1	4	6	CCCC[N@@H+]1CCOC[C@H]1C(=O)N(C)Cc1cc(C)on1
365650858	ZINC000274397779	low	6.31	-40.07	1	295.383	1.442	1	4	6	CCCC[N@H+]1CCOC[C@H]1C(=O)N(C)Cc1cc(C)on1
342090356	ZINC000616318767	ref	1.49	-12.7	0	263.337	1.412	2	3	3	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc(CO)cc1
214201830	ZINC000278510063	ref	4.65	-47.66	1	312.215	1.935	2	3	5	Cc1cc(C[C@H](C)[NH2+]Cc2c(Br)cnn2C)[nH]n1
365650862	ZINC000274397993	ref	2.76	-58.9	1	278.352	1.321	2	3	6	C[C@H](C[NH3+])NC(=O)c1cccc(OC[C@H]2CCCO2)c1
365650869	ZINC000274399149	ref	2.83	-10.94	0	294.376	1.088	2	4	3	O=C(NCC(=O)N1CCCSCC1)c1cccc(O)c1
197611026	ZINC000163095811	ref	4.32	-6.02	0	308.353	1.692	2	3	3	Cc1c(F)cccc1NC(=O)C(=O)N(C)C[C@H]1CCC[C@H]1O
214201833	ZINC000278510063	mid	5.04	-38.06	1	312.215	1.935	2	3	5	Cc1cc(C[C@H](C)[NH2+]Cc2c(Br)cnn2C)n[nH]1
214201835	ZINC000278510063	high	3.83	-7.38	0	312.215	1.935	2	4	5	Cc1cc(C[C@H](C)NCc2c(Br)cnn2C)n[nH]1
214201838	ZINC000278510063	high	3.47	-7.95	0	312.215	1.935	2	4	5	Cc1cc(C[C@H](C)NCc2c(Br)cnn2C)[nH]n1
214201842	ZINC000278510908	ref	4.59	-36.73	1	310.413	2.113	2	3	7	CCOc1ccc(CN2CC[NH+]([C@H](CC)CO)CC2)cc1F
214201845	ZINC000278510908	high	2.99	-6.06	0	310.413	2.113	1	4	7	CCOc1ccc(CN2CCN([C@H](CC)CO)CC2)cc1F
214201849	ZINC000278510615	ref	4.63	-27.55	0	303.387	2.159	1	4	5	CC[S@@](=O)CC(=O)Nc1cccc(-c2ccnc(C)n2)c1
342090357	ZINC000616318871	ref	2.17	-8.8	0	273.373	1.049	1	4	8	COCCCOCCC(=O)N1CCC[C@@H](CO)[C@@H]1C
342090358	ZINC000616318886	ref	1.65	-15.8	0	291.307	1.563	1	6	3	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ncoc1-c1ccon1
342104061	ZINC000609359276	ref	3.41	-12.38	0	294.399	1.042	1	4	4	CN(C[C@@H]1CCCOC1)C(=O)NC1CCN(CC#N)CC1
342104062	ZINC000063535738	ref	8.89	-15.69	0	266.37	1.718	0	5	6	O=C1CCCN1CCCSc1nncn1C1CC1
342104063	ZINC000609360202	ref	1.75	-16.46	0	280.305	1.457	0	6	3	Cc1noc(C[S@@](=O)c2ccc3c(c2)OCCO3)n1
342104064	ZINC000609359242	ref	2.03	-18.05	0	290.279	1.625	2	5	6	O=C(NCCc1ccc([N+](=O)[O-])cc1)NCc1cocn1
342104065	ZINC000123381744	ref	6.14	-24.59	0	257.265	1.401	0	4	3	Cn1cnnc1C[S@](=O)c1cc(F)ccc1F
342104066	ZINC000041775303	ref	7.97	-19.11	0	273.336	1.605	1	4	7	C[C@@H](OCc1ccccc1)C(=O)NCCn1ccnc1
306234770	ZINC000557926249	ref	7.27	-14.66	0	345.447	1.898	1	5	2	C[C@@H]1c2nnc(C3CCCC3)n2CCN1C(=O)[C@H]1CCCCC(=O)N1
342090359	ZINC000616318919	ref	1.96	-16.55	0	269.37	1.008	1	5	3	Cc1nnc(CC(=O)N2CCC[C@H](CO)[C@@H]2C)s1
365650855	ZINC000336563689	ref	7.17	-7.66	0	263.381	2.452	0	2	2	O=C(N1C[C@@H]2CCC[C@H]2C1)C1(C2CC2)CCOCC1
365650864	ZINC000336563414	ref	3.59	-10.52	0	283.755	2.334	1	3	2	COc1cc(C(=O)N2CC[C@H](O)C2(C)C)ccc1Cl
365650867	ZINC000336563545	ref	4.77	-48.13	1	287.407	2.007	2	2	3	Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1
365650871	ZINC000336563545	low	7.2	-98.54	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC[NH2+]C2)C1
214201844	ZINC000337657734	mid	3.9	-10.81	0	297.349	2.421	2	2	6	CC[C@H](NC(=O)NCCN1CCC1)c1cc(F)ccc1F
210255913	ZINC000004712915	ref	9.25	-7.31	0	329.183	4.125	1	3	4	CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ccccc1[N+](=O)[O-]
342090360	ZINC000046886642	ref	3.67	-10.37	0	282.771	1.79	1	3	4	C[C@@H](CN1CCOCC1)NC(=O)c1ccccc1Cl
342090361	ZINC000046886642	low	6.08	-46.79	1	282.771	1.79	2	2	4	C[C@@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1Cl
342090362	ZINC000046887766	ref	3.39	-7.69	0	252.358	1.18	1	3	5	C[C@@H](CN1CCOCC1)NC(=O)C[C@H]1C=CCC1
398250039	ZINC000183638069	high	2.03	-47.53	0	236.315	1.554	2	2	5	C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1[O-]
342090363	ZINC000046887766	low	5.78	-42.79	1	252.358	1.18	2	2	5	C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1C=CCC1
214201850	ZINC000337659888	ref	3.34	-14.27	0	297.399	0.941	2	3	4	CC(C)N1C[C@H](NC(=O)N2CCC[C@H]2C[C@H](C)O)CC1=O
342090364	ZINC000621368319	ref	4.08	-49.34	1	295.452	1.612	2	3	8	CCCc1ccc(C[NH2+]CCCN2CCNC(=O)C2)s1
342090365	ZINC000616319094	ref	2.91	-12.12	0	255.358	1.421	1	3	3	CO[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CO)[C@H]2C)C1
210255919	ZINC000004713213	ref	8.18	-8.41	0	342.826	4.106	1	3	3	CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(c2ccc(C)cc2)C1
210255926	ZINC000004714838	ref	3.4	-15.18	0	332.425	2.144	2	3	7	C[C@@H](NS(=O)(=O)c1ccc(CCC(N)=O)cc1)c1ccccc1
210255934	ZINC000004713891	ref	13.37	-11.85	0	348.398	4.578	0	4	4	COC(=O)c1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1
342090366	ZINC000046887611	ref	3.32	-8.36	0	280.393	1.598	1	4	5	C[C@@H](CN1CCOCC1)NC(=O)/C=C/c1ccsc1
214201853	ZINC000337659787	ref	5.47	-12.23	0	295.346	2.085	1	5	4	CCn1ncc2cc(C(=O)NCc3ccccn3)c(C)nc21
398250041	ZINC000336780060	ref	5.92	-4.95	0	229.274	2.605	1	3	4	C[C@H]1[C@H](C)C[C@H]1Nc1cnn(CC(F)F)c1
214201851	ZINC000293804930	ref	6.28	-23.12	0	367.413	0.563	3	6	7	C[C@@H](c1ccccc1)[C@H](NC(=O)CN(C)c1ncnc2nc[nH]c12)C(N)=O
343995689	ZINC000599275796	ref	3.95	-31.89	0	257.253	1.815	1	4	2	Cc1[nH+][n-]c2nnc(NC(=O)c3ccco3)c-2c1C
214201855	ZINC000293804930	mid	6.51	-19.17	0	367.413	0.563	3	6	7	C[C@@H](c1ccccc1)[C@H](NC(=O)CN(C)c1ncnc2[nH]cnc12)C(N)=O
214201859	ZINC000293802824	ref	5.77	-72.51	1	371.441	0.705	2	5	4	O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
214201862	ZINC000293802824	low	2.65	-60.51	-1	371.441	0.705	3	4	4	O=C([C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
214201866	ZINC000293802824	low	5.77	-72.51	1	371.441	0.705	3	4	4	O=C([C@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
214201870	ZINC000293802824	high	2.65	-60.51	-1	371.441	0.705	1	5	4	O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1
197611034	ZINC000290143048	ref	5.29	-9.25	0	272.348	2.785	1	4	4	CC(C)[C@@H](O)Cc1nc(-c2ccc3c(c2)CCC3)no1
214201874	ZINC000293794950	ref	4.59	-30.93	0	368.397	0.523	2	6	3	Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
214201877	ZINC000293794950	mid	3.75	-66.9	-1	368.397	0.523	1	6	3	Cc1nc2ccccc2c(=O)n1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1
214201880	ZINC000293797699	ref	4.68	-18.3	0	373.413	0.451	0	7	6	COCCn1nnc2c1CCN(C(=O)[C@@H]1CC(=O)N(Cc3ccco3)C1)C2
214201884	ZINC000293804607	ref	2.17	-14.06	0	356.426	0.925	3	3	1	C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
168365696	ZINC000368507485	ref	10.09	-39.0	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@@H+]1C[C@@H]2CCCCCC[C@@H]21
214201888	ZINC000293804607	mid	4.09	-47.27	1	356.426	0.925	3	3	1	C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
342090367	ZINC000046887611	low	5.73	-43.23	1	280.393	1.598	2	3	5	C[C@@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccsc1
342090368	ZINC000616319097	ref	2.9	-10.71	0	255.358	1.421	1	3	3	CO[C@@H]1CC[C@H](C(=O)N2CCC[C@@H](CO)[C@@H]2C)C1
342090369	ZINC000046887071	ref	4.37	-12.19	0	292.379	1.211	1	4	6	Cc1cccc(OCC(=O)N[C@@H](C)CN2CCOCC2)c1
342090370	ZINC000046887071	low	6.8	-49.32	1	292.379	1.211	2	3	6	Cc1cccc(OCC(=O)N[C@@H](C)C[NH+]2CCOCC2)c1
178328128	ZINC000049830265	low	10.52	-25.82	1	240.35	4.064	0	1	1	Cc1ccc(-c2cn3c([nH+]2)CCC[C@@H]3C)cc1C
342090371	ZINC000046886774	ref	2.46	-11.2	0	278.352	1.146	1	4	5	COc1cccc(C(=O)N[C@H](C)CN2CCOCC2)c1
342090372	ZINC000046886774	low	4.8	-47.82	1	278.352	1.146	2	3	5	COc1cccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)c1
342090373	ZINC000616319136	ref	3.54	-10.22	0	265.357	1.526	1	4	4	CCCn1nccc1C(=O)N1CCC[C@H](CO)[C@@H]1C
342090374	ZINC000083170859	ref	2.8	-43.16	1	277.28	1.693	1	6	4	O=[N+]([O-])c1ccc2oc(CN3CCC[C@H]3CO)nc2c1
342090375	ZINC000083170859	mid	2.27	-44.22	1	277.28	1.693	2	5	4	O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC[C@H]3CO)nc2c1
214201861	ZINC000278511277	ref	7.69	-61.58	1	308.397	2.573	1	2	6	CCOc1ccc(C[NH2+]CC2CCN(C(C)=O)CC2)cc1F
214201865	ZINC000278510904	ref	4.56	-36.71	1	310.413	2.113	2	3	7	CCOc1ccc(CN2CC[NH+]([C@@H](CC)CO)CC2)cc1F
342090376	ZINC000083170859	mid	2.8	-43.16	1	277.28	1.693	2	5	4	O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3CO)nc2c1
342090377	ZINC000046886772	ref	2.43	-11.64	0	278.352	1.146	1	4	5	COc1cccc(C(=O)N[C@@H](C)CN2CCOCC2)c1
342090378	ZINC000046886772	low	4.86	-48.22	1	278.352	1.146	2	3	5	COc1cccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)c1
214201869	ZINC000278510904	high	3.06	-6.29	0	310.413	2.113	1	4	7	CCOc1ccc(CN2CCN([C@@H](CC)CO)CC2)cc1F
214201873	ZINC000278511315	ref	6.83	-53.9	1	307.394	3.279	1	4	5	C[C@H]([NH2+]C[C@@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201875	ZINC000278511315	mid	5.69	-8.21	0	307.394	3.279	1	5	5	C[C@H](NC[C@@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201881	ZINC000278509686	ref	7.97	-48.65	1	308.447	2.535	2	3	4	Cc1occc1C(=O)NC1CC[NH+](C[C@H]2CCSC2)CC1
342090379	ZINC000121916888	ref	8.65	-42.65	1	268.401	1.696	2	2	7	CC[NH+](CC)CCNC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C
214201883	ZINC000278510806	ref	8.68	-41.16	1	314.433	2.577	1	4	6	CCOc1ccccc1C[NH2+][C@H]1CCCN(c2ccnn2C)C1
342090380	ZINC000121916888	high	6.48	-13.88	0	268.401	1.696	1	3	7	CCN(CC)CCNC(=O)[C@H]1C[C@@H](C(C)=O)C1(C)C
342090381	ZINC000621368317	ref	2.64	-11.84	0	293.392	1.206	2	5	3	C[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1CO
214201887	ZINC000278510806	high	7.48	-5.9	0	314.433	2.577	1	5	6	CCOc1ccccc1CN[C@H]1CCCN(c2ccnn2C)C1
168367895	ZINC000039167995	ref	1.26	-53.15	1	129.159	-0.103	1	2	1	C[C@@H]([NH3+])[C@@H]1CCOC1=O
342090382	ZINC000621368317	mid	4.92	-39.91	1	293.392	1.206	2	5	3	C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@H]1CO
342090383	ZINC000621368317	mid	2.64	-11.84	0	293.392	1.206	1	6	3	C[C@H]1CCN(Cc2cc(=O)n3ccsc3n2)C[C@H]1CO
342090384	ZINC000046886644	ref	3.67	-9.84	0	282.771	1.79	1	3	4	C[C@H](CN1CCOCC1)NC(=O)c1ccccc1Cl
365650874	ZINC000336563545	low	7.18	-106.35	2	287.407	2.007	3	1	3	Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@]2(CC[NH2+]C2)C1
365650883	ZINC000336563771	ref	7.09	-58.81	1	293.432	2.085	1	2	3	C[C@@]1(c2ccccc2)CC[N@H+](C[C@H]2CCS(=O)(=O)C2)C1
342090385	ZINC000046886644	low	6.0	-46.8	1	282.771	1.79	2	2	4	C[C@H](C[NH+]1CCOCC1)NC(=O)c1ccccc1Cl
365650887	ZINC000336563771	mid	7.1	-58.7	1	293.432	2.085	1	2	3	C[C@@]1(c2ccccc2)CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1
342090386	ZINC000616318992	ref	3.96	-13.31	0	251.326	1.75	1	3	3	Cc1ccoc1CC(=O)N1CCC[C@@H](CO)[C@H]1C
168365698	ZINC000368507485	mid	10.14	-39.27	1	331.485	3.262	1	4	3	Cc1nc2sccn2c(=O)c1CC[N@H+]1C[C@@H]2CCCCCC[C@@H]21
398250040	ZINC000076962891	ref	8.48	-45.05	1	249.358	1.647	1	2	7	C[NH+](C)CCCN(CCC#N)C(=O)C1CC=CC1
398250043	ZINC000076956077	ref	9.41	-9.48	0	241.334	3.316	0	1	2	O=C(C1CC=CC1)N1CCC[C@H]1c1ccccc1
342090387	ZINC000046887633	ref	2.55	-8.88	0	296.342	1.285	1	4	5	COc1ccc(C(=O)N[C@H](C)CN2CCOCC2)cc1F
365650892	ZINC000336563771	mid	4.79	-10.81	0	293.432	2.085	0	3	3	C[C@@]1(c2ccccc2)CCN(C[C@H]2CCS(=O)(=O)C2)C1
168365700	ZINC000368509060	ref	6.41	-7.29	0	331.456	3.194	0	4	4	CC(=O)c1c(C)cc(C)c(CN2CCOC[C@H]2[C@@H]2CCCO2)c1C
168365702	ZINC000368509060	low	8.37	-40.73	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1C
365650899	ZINC000336563348	ref	3.33	-11.35	0	273.336	2.191	1	4	3	Cc1oc(NC(=O)CN2C[C@H]3CCC[C@@H]32)c(C#N)c1C
342090388	ZINC000046887633	low	4.89	-45.16	1	296.342	1.285	2	3	5	COc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1F
342090389	ZINC000046887772	ref	3.37	-7.37	0	252.358	1.18	1	3	5	C[C@H](CN1CCOCC1)NC(=O)C[C@@H]1C=CCC1
342090390	ZINC000046887772	low	5.71	-42.81	1	252.358	1.18	2	2	5	C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1C=CCC1
365650907	ZINC000336563348	low	6.8	-41.58	1	273.336	2.191	2	3	3	Cc1oc(NC(=O)C[N@@H+]2C[C@H]3CCC[C@@H]32)c(C#N)c1C
365650909	ZINC000336563348	low	7.46	-43.42	1	273.336	2.191	2	3	3	Cc1oc(NC(=O)C[N@H+]2C[C@H]3CCC[C@@H]32)c(C#N)c1C
342090391	ZINC000616319039	ref	2.31	-14.54	0	293.363	1.177	2	4	5	C[C@@H]1[C@@H](CO)CCCN1C(=O)COc1ccc(CO)cc1
342090392	ZINC000616319137	ref	3.54	-8.85	0	265.357	1.526	1	4	4	CCCn1nccc1C(=O)N1CCC[C@@H](CO)[C@@H]1C
398250048	ZINC000076957427	ref	7.71	-11.29	0	230.311	2.358	0	2	1	C[C@H]1c2cccn2CCN1C(=O)C1CC=CC1
398250042	ZINC000360090483	high	3.06	-13.03	0	281.4	1.231	1	4	7	C[C@@H](C(=O)N(C)CCC#N)N1CCC(CCCO)CC1
178326160	ZINC000237712823	ref	5.77	-52.04	1	366.55	1.544	1	3	8	C[C@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)CCCCCC[NH3+])CC2)C1
210255939	ZINC000004713949	ref	9.38	-8.46	0	333.453	3.788	1	4	3	COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2
168367896	ZINC000309833023	ref	0.77	-48.35	1	236.381	1.079	2	2	8	CCC(CC)CS(=O)(=O)N[C@H](C)CC[NH3+]
178326163	ZINC000237722698	ref	4.94	-54.01	1	351.472	1.357	1	3	3	CC(=O)N1c2ccc(S(=O)(=O)N(C)C3CC[NH2+]CC3)cc2C[C@@H]1C
178326166	ZINC000237710720	ref	5.01	-51.01	1	354.476	1.679	3	5	8	Cc1cc(NC(=O)CSCC(=O)N[C@H](C[NH3+])C2CCCCC2)no1
210255944	ZINC000004710426	ref	9.18	-14.63	0	333.778	4.101	0	4	2	O=c1c2ccccc2nc(-c2ccccc2Cl)n1-c1cccnc1
210255952	ZINC000004713006	ref	10.01	-10.99	0	334.427	4.205	1	5	3	CC1=CC[C@H](CN=Nc2nnc3c(n2)[nH]c2ccc(C)cc23)[C@@H](C)C1
342603316	ZINC000590880961	ref	3.79	-24.08	0	289.291	1.671	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12
342603317	ZINC000590880884	ref	6.32	-13.22	0	285.384	1.895	1	4	8	COC(=O)CC(C)(C)CC(=O)N[C@@H](C)[C@H](OC)C1CC1
178326168	ZINC000237723452	ref	3.08	-56.89	1	351.472	1.532	2	3	3	CC(=O)N1c2ccc(S(=O)(=O)NC3CCC([NH3+])CC3)cc2C[C@@H]1C
178326171	ZINC000237711544	ref	5.14	-60.7	1	365.499	1.399	1	3	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC[NH2+]CC3)c2)C1
178326174	ZINC000237711544	mid	3.85	-10.19	0	365.499	1.399	1	4	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CCNCC3)c2)C1
349536154	ZINC000594971191	ref	7.52	-40.2	1	271.401	2.513	1	3	8	COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C[C@H](C)OC)C1
349536158	ZINC000594973437	ref	7.7	-44.47	1	285.428	2.759	1	3	7	COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCOC(C)(C)C)[C@@H]1C
210255958	ZINC000004713546	ref	8.63	-9.27	0	334.4	4.478	1	4	3	O=C1S[C@H](Nc2ccc3ccccc3c2)C(=O)N1c1ccccc1
178326178	ZINC000237721964	ref	8.34	-71.99	1	356.474	1.682	2	5	5	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])c2C)n1
178326180	ZINC000237716235	ref	5.86	-56.41	1	351.397	1.685	2	2	3	O=C(N[C@@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
365650875	ZINC000623090673	mid	2.55	-36.31	1	302.321	1.364	2	4	7	CN(CC[N@@H+](C)CCO)Cc1cccc2c1OC(F)(F)O2
230239995	ZINC000343143088	ref	-2.4	-12.84	0	282.362	-1.109	1	5	7	COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@H]1CO
398254106	ZINC000194594530	ref	-0.19	-15.75	0	214.265	-0.336	2	3	5	COC[C@H](C)CNC(=O)[C@@H]1CCC(=O)N1
214201856	ZINC000053837429	low	9.94	-35.23	1	328.375	3.957	1	3	3	Cc1cccn2cc(-c3ccc(NC(=O)c4ccncc4)cc3)[nH+]c12
214201860	ZINC000053845584	ref	6.01	-29.49	0	332.337	2.098	1	7	4	COC(=O)c1sc2[nH]c(CC(=O)c3ccco3)nc(=O)c2c1C
214201864	ZINC000053845584	high	5.58	-48.12	-1	332.337	2.098	0	7	4	COC(=O)c1sc2[n-]c(CC(=O)c3ccco3)nc(=O)c2c1C
197611046	ZINC000290143625	ref	11.44	-12.95	0	256.353	2.117	0	4	2	Cc1nnc(N(C)[C@H]2CCc3ccccc3C2)n1C
342090393	ZINC000616319037	ref	2.29	-14.38	0	293.363	1.177	2	4	5	C[C@H]1[C@H](CO)CCCN1C(=O)COc1ccc(CO)cc1
342090394	ZINC000616318918	ref	1.99	-15.65	0	269.37	1.008	1	5	3	Cc1nnc(CC(=O)N2CCC[C@@H](CO)[C@H]2C)s1
342090395	ZINC000121931745	ref	4.43	-13.58	0	253.342	1.533	1	3	4	CC(=O)[C@@H]1C[C@H](C(=O)NC[C@@H]2CCCO2)C1(C)C
342090396	ZINC000046887710	ref	3.56	-7.22	0	282.409	1.518	1	4	6	C[C@H](CN1CCOCC1)NC(=O)CCc1ccsc1
342090397	ZINC000046887710	low	5.89	-43.5	1	282.409	1.518	2	3	6	C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1ccsc1
342090398	ZINC000616319096	ref	2.89	-10.4	0	255.358	1.421	1	3	3	CO[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CO)[C@H]2C)C1
342090399	ZINC000616318932	ref	2.18	-6.18	0	285.384	1.191	1	4	4	CCOC1(C(=O)N2CCC[C@@H](CO)[C@@H]2C)CCOCC1
342090400	ZINC000616319082	ref	3.87	-7.19	0	269.385	1.811	1	3	4	C[C@H](CC(=O)N1CCC[C@H](CO)[C@H]1C)[C@@H]1CCCO1
342090401	ZINC000121931905	ref	4.47	-12.82	0	253.342	1.533	1	3	4	CC(=O)[C@@H]1C[C@H](C(=O)NC[C@H]2CCCO2)C1(C)C
342090402	ZINC000121912870	ref	7.37	-24.5	0	264.354	1.813	0	6	5	CC(C)n1ccc(=O)nc1SCCn1ccnc1
342090403	ZINC000121912870	low	7.88	-46.92	1	264.354	1.813	0	5	5	CC(C)n1ccc(=O)nc1SCCn1cc[nH+]c1
342090404	ZINC000046886867	ref	3.41	-7.39	0	254.374	1.404	1	3	4	C[C@@H](CN1CCOCC1)NC(=O)C1CCCCC1
342090405	ZINC000046886867	low	5.81	-43.66	1	254.374	1.404	2	2	4	C[C@@H](C[NH+]1CCOCC1)NC(=O)C1CCCCC1
342090406	ZINC000616318995	ref	3.96	-11.43	0	251.326	1.75	1	3	3	Cc1ccoc1CC(=O)N1CCC[C@H](CO)[C@H]1C
342090407	ZINC000616318927	ref	2.1	-12.2	0	278.352	1.461	1	4	4	COCc1cncc(C(=O)N2CCC[C@H](CO)[C@@H]2C)c1
342090408	ZINC000046887037	ref	3.45	-8.54	0	292.379	1.292	1	4	7	C[C@H](CN1CCOCC1)NC(=O)CCOc1ccccc1
342090409	ZINC000046887037	low	5.79	-45.05	1	292.379	1.292	2	3	7	C[C@H](C[NH+]1CCOCC1)NC(=O)CCOc1ccccc1
342090410	ZINC000618613014	ref	5.95	-12.29	0	283.274	1.988	1	3	3	C[C@]1(CNC(=O)[C@@H]2COc3ccccc3O2)CC1(F)F
230745201	ZINC000425622768	ref	4.55	-9.62	0	309.391	2.088	2	5	4	COC(=O)c1cnc([C@H](C)NC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)s1
230745204	ZINC000425615433	ref	7.09	-16.55	0	317.389	2.408	1	4	6	COc1ccc(OCCN(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)cc1
214201858	ZINC000337661107	ref	5.69	-19.24	0	295.387	0.908	1	5	6	CN(C)C(=O)CCCC(=O)NCc1ncnn1C(C)(C)C
214201863	ZINC000337659084	ref	-0.98	-13.14	0	253.306	0.389	1	5	3	CCc1noc([C@H](C)N2CCN(C(N)=O)CC2)n1
342090411	ZINC000046887603	ref	3.3	-10.07	0	284.306	1.415	1	3	4	C[C@@H](CN1CCOCC1)NC(=O)c1cc(F)ccc1F
168365704	ZINC000368509060	low	8.69	-38.11	1	331.456	3.194	1	3	4	CC(=O)c1c(C)cc(C)c(C[N@H+]2CCOC[C@H]2[C@@H]2CCCO2)c1C
168365706	ZINC000368501488	ref	7.25	-11.57	0	337.366	3.33	0	3	4	O=C(/C=C/c1ccc(OC(F)F)cc1)N1CC[C@@]2(CCCOC2)C1
342090412	ZINC000046887603	low	5.71	-46.52	1	284.306	1.415	2	2	4	C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)ccc1F
342090413	ZINC000621368318	ref	3.11	-11.66	0	293.392	1.206	2	5	3	C[C@H]1CC[N@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1CO
342090414	ZINC000621368318	mid	4.65	-39.13	1	293.392	1.206	2	5	3	C[C@H]1CC[N@@H+](Cc2cc(=O)n3ccsc3n2)C[C@@H]1CO
342090415	ZINC000621368318	mid	3.11	-11.66	0	293.392	1.206	1	6	3	C[C@H]1CCN(Cc2cc(=O)n3ccsc3n2)C[C@@H]1CO
214201867	ZINC000337658452	ref	3.21	-18.29	0	295.408	0.824	2	4	8	C[S@](=O)CCCNC(=O)c1ccc(NCC2CC2)nc1
365650878	ZINC000274399149	high	3.59	-51.19	-1	294.376	1.088	1	4	3	O=C(NCC(=O)N1CCCSCC1)c1cccc([O-])c1
342090416	ZINC000616318930	ref	2.19	-7.3	0	285.384	1.191	1	4	4	CCOC1(C(=O)N2CCC[C@@H](CO)[C@H]2C)CCOCC1
342090417	ZINC000616318994	ref	3.98	-11.97	0	251.326	1.75	1	3	3	Cc1ccoc1CC(=O)N1CCC[C@@H](CO)[C@@H]1C
342090418	ZINC000046887770	ref	3.39	-7.64	0	252.358	1.18	1	3	5	C[C@@H](CN1CCOCC1)NC(=O)C[C@@H]1C=CCC1
365650884	ZINC000274400587	ref	8.42	-21.11	0	262.313	1.723	1	5	6	CCCCOCC(=O)Nc1nc2cccnc2n1C
222609692	ZINC000283785844	ref	6.86	-23.8	0	306.312	1.595	1	2	3	CC#CC(=O)N[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O
342090419	ZINC000046887770	low	5.78	-43.3	1	252.358	1.18	2	2	5	C[C@@H](C[NH+]1CCOCC1)NC(=O)C[C@@H]1C=CCC1
214201872	ZINC000337658746	ref	4.77	-14.72	0	274.364	2.234	3	2	6	CC(C)[C@H](O)CC(=O)NCCc1cccc2[nH]ccc12
342090420	ZINC000046887613	ref	3.33	-7.94	0	280.393	1.598	1	4	5	C[C@H](CN1CCOCC1)NC(=O)/C=C/c1ccsc1
342090421	ZINC000046887613	low	5.65	-43.2	1	280.393	1.598	2	3	5	C[C@H](C[NH+]1CCOCC1)NC(=O)/C=C/c1ccsc1
365650879	ZINC000053299169	mid	6.3	-42.44	1	275.396	1.249	2	2	5	Cc1cccc(C[N@H+](C)CCC(=O)N2CCNCC2)c1
168365707	ZINC000368506033	ref	7.08	-46.62	1	343.427	3.138	1	5	5	CCOc1ccc(-c2noc(C[N@@H+]3CC[C@@]4(CCCOC4)C3)n2)cc1
342603318	ZINC000590880903	ref	4.83	-8.9	0	259.309	1.497	1	4	5	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cccc(C#N)n1
365650885	ZINC000053299169	mid	6.31	-42.42	1	275.396	1.249	2	2	5	Cc1cccc(C[N@@H+](C)CCC(=O)N2CCNCC2)c1
214201868	ZINC000053830820	ref	10.1	-47.47	1	342.277	4.413	1	1	6	CC[NH2+][C@H](Cc1cccc(F)c1)Cc1ccc(Br)s1
342603319	ZINC000590880304	ref	2.13	-12.65	0	260.293	1.419	2	4	2	CC1(C)COC[C@H]1NC(=O)c1cc(O)cc(C#N)c1
342603320	ZINC000590880304	mid	2.89	-35.17	-1	260.293	1.419	1	4	2	CC1(C)COC[C@H]1NC(=O)c1cc([O-])cc(C#N)c1
168365709	ZINC000368506033	mid	7.06	-46.38	1	343.427	3.138	1	5	5	CCOc1ccc(-c2noc(C[N@H+]3CC[C@@]4(CCCOC4)C3)n2)cc1
365650889	ZINC000053299198	ref	7.63	-98.45	2	279.428	1.463	2	1	4	O=C(CC[N@@H+]1CCC[C@@H]1C1CCCC1)N1CC[NH2+]CC1
342603321	ZINC000590880268	ref	6.57	-12.04	0	269.341	1.501	0	4	3	CCOC(=O)CC(=O)N1CCOCC12CCCCC2
398250044	ZINC000569677280	ref	4.89	-8.79	0	291.395	1.815	1	4	4	O=C(CCn1cccn1)N1CCCC[C@@H]1[C@H]1CCC[C@@H]1O
214201876	ZINC000053837335	ref	2.41	-12.58	0	343.305	1.338	1	4	2	O=C1COc2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)cc2N1
342603322	ZINC000590880970	ref	4.29	-15.76	0	264.281	1.499	1	4	2	Cc1c(C(=O)N2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-]
168365711	ZINC000368506033	mid	4.71	-7.83	0	343.427	3.138	0	6	5	CCOc1ccc(-c2noc(CN3CC[C@@]4(CCCOC4)C3)n2)cc1
342603323	ZINC000590880895	ref	6.35	-6.95	0	285.384	1.895	1	4	8	CCOC(=O)C(C)(C)CC(=O)N[C@H](C)[C@@H](OC)C1CC1
168365712	ZINC000368509336	ref	3.57	-7.27	0	348.83	3.375	0	5	4	Clc1cccc(-c2nc(CN3CCOC[C@H]3[C@@H]3CCCO3)co2)c1
168365716	ZINC000368503981	ref	8.72	-13.64	0	345.443	3.446	0	4	5	O=C(CCSc1ccccn1)N1CCC(F)(c2cccnc2)CC1
342603324	ZINC000590880874	ref	3.79	-9.96	0	274.32	1.807	2	4	5	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cc(O)cc(C#N)c1
342603325	ZINC000590880874	mid	4.54	-36.98	-1	274.32	1.807	1	4	5	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1
259310661	ZINC000229551234	ref	8.34	-44.16	1	222.376	3.196	1	1	5	CC(C)C(C[NH2+][C@H]1CCC[C@@H]1C#N)C(C)C
342603326	ZINC000590880658	ref	7.06	-44.69	1	275.396	1.861	2	2	5	C[C@@H](NC(=O)CCc1cccnc1)C1CC[NH+](C)CC1
168365708	ZINC000001697041	ref	6.56	-6.0	0	228.332	2.517	1	3	5	CCC(CC)COC(=O)[C@H]1CCCC[C@@H]1O
342090422	ZINC000046886869	ref	3.41	-6.96	0	254.374	1.404	1	3	4	C[C@H](CN1CCOCC1)NC(=O)C1CCCCC1
168365718	ZINC000124339926	ref	5.79	-5.01	0	223.32	2.642	1	4	6	CCC(CC)CNc1nc(C)cc(OC)n1
342090423	ZINC000046886869	low	5.74	-43.8	1	254.374	1.404	2	2	4	C[C@H](C[NH+]1CCOCC1)NC(=O)C1CCCCC1
178326182	ZINC000237718399	ref	5.95	-40.95	1	351.397	1.685	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1
214201878	ZINC000337660564	ref	5.65	-43.5	1	270.332	2.315	2	2	4	O=C1NCCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1
349536155	ZINC000621246500	ref	6.61	-10.43	0	299.374	2.418	1	4	5	O=C(NCCOc1ccccc1)c1cnc2n1CCCCC2
178326185	ZINC000237721006	ref	9.45	-60.14	1	370.501	1.944	2	5	6	Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC[C@H]3CCC[NH2+]C3)c2C)n1
214201882	ZINC000337660564	mid	4.42	-10.9	0	270.332	2.315	2	3	4	O=C1NCCC[C@@H]1NCc1ccc(-c2ccccc2)o1
365650880	ZINC000623090673	high	0.19	-7.6	0	302.321	1.364	1	5	7	CN(CCO)CCN(C)Cc1cccc2c1OC(F)(F)O2
178326188	ZINC000237720979	ref	9.44	-60.06	1	370.501	1.944	2	5	6	Cc1cc(C)nc(-n2nc(C)c(CC(=O)NCC[C@@H]3CCC[NH2+]C3)c2C)n1
178326192	ZINC000237709904	ref	4.33	-45.77	1	357.311	1.907	2	4	3	O=C(N[C@H]1CCC[NH2+]C1)c1nnn(-c2ccc(F)cc2)c1C(F)(F)F
178326195	ZINC000237720549	ref	6.77	-44.57	1	353.825	1.906	1	2	2	O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1
282123827	ZINC000181740442	ref	4.09	-38.85	1	285.388	0.528	2	3	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCO1
178326199	ZINC000237720549	high	5.55	-11.16	0	353.825	1.906	1	3	2	O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@H]2CCCCN2)CC1
365650886	ZINC000623090034	ref	8.73	-18.39	0	321.425	1.212	1	5	6	CC(C)(C)CC(=O)N1CCC[C@@H]1C(=O)NCCCn1cncn1
282123844	ZINC000181740442	high	1.54	-9.03	0	285.388	0.528	1	4	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CCCOCC2)CCO1
178326201	ZINC000237722844	ref	5.51	-57.17	1	365.499	1.049	1	3	4	C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC[NH2+]1
214201885	ZINC000337660194	ref	4.44	-7.57	0	250.323	3.284	0	5	2	C[C@@H]1C[C@@H](C)[C@H](c2nc(-c3cccs3)no2)O1
349536160	ZINC000621246981	ref	6.97	-47.25	-1	293.392	2.35	1	6	7	CCCc1ccc(CN[C@@H](C(=O)[O-])c2cnn(C)c2)s1
398250045	ZINC000336780035	ref	4.53	-46.62	1	227.348	1.818	1	2	5	C[C@@H]1C[C@H](CC[NH2+]CC2(C)COC2)CCO1
365650881	ZINC000641615675	high	-0.31	-36.49	-1	296.295	1.148	0	5	6	COc1cc(C[N-]S(=O)(=O)C[C@@]2(C)CC2(F)F)on1
342090424	ZINC000618613013	ref	5.95	-11.72	0	283.274	1.988	1	3	3	C[C@]1(CNC(=O)[C@H]2COc3ccccc3O2)CC1(F)F
342090425	ZINC000616318917	ref	1.99	-15.24	0	269.37	1.008	1	5	3	Cc1nnc(CC(=O)N2CCC[C@H](CO)[C@H]2C)s1
214201879	ZINC000053835079	ref	13.69	-24.91	0	328.328	2.773	0	7	4	Cc1cc2oc(=O)cc(Cn3cnc([N+](=O)[O-])n3)c2cc1C(C)C
214201886	ZINC000053830979	ref	7.33	-37.3	1	326.259	3.632	1	2	5	COc1ccccc1C[C@H]([NH3+])Cc1cc(Br)cs1
342090426	ZINC000616318925	ref	1.97	-10.14	0	278.352	1.461	1	4	4	COCc1cncc(C(=O)N2CCC[C@@H](CO)[C@@H]2C)c1
185091621	ZINC000096080554	ref	3.57	-15.94	0	294.358	1.433	0	4	3	O=C(c1ccncc1)N1C[C@H]2CN(Cc3ccncc3)[C@H]2C1
185091623	ZINC000096080554	low	6.16	-57.84	1	294.358	1.433	1	3	3	O=C(c1ccncc1)N1C[C@H]2C[N@H+](Cc3ccncc3)[C@H]2C1
342090427	ZINC000121914991	ref	4.19	-9.67	0	254.355	1.804	2	3	3	C[C@]1(CO)CCCN1C(=O)NCc1cccs1
214201889	ZINC000053836879	ref	12.72	-29.77	0	328.332	1.75	0	7	6	Cc1cccc(N(CCC#N)C(=O)Cn2cnc([N+](=O)[O-])n2)c1C
214201893	ZINC000053841382	ref	8.35	-12.98	0	326.425	3.031	1	6	5	Cc1ccc(-n2c(SCCO)nnc2-c2ccccn2)c(C)c1
214201897	ZINC000053837758	ref	8.24	-17.54	0	337.379	2.664	1	5	3	Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4COCCO4)cc3)nc12
342090428	ZINC000046887629	ref	4.7	-8.26	0	294.37	1.595	1	3	6	C[C@H](CN1CCOCC1)NC(=O)CCc1ccc(F)cc1
365650888	ZINC000641615596	ref	4.71	-10.73	0	273.34	1.278	1	6	3	Cn1nccc1-c1ccc(N[C@H]2CCOC2(C)C)nn1
295667002	ZINC000336528183	ref	6.12	-16.19	0	270.398	1.209	0	3	2	CS[C@H]1CCCCN(C(=O)[C@H]2CC(=O)N(C)C2)C1
342090429	ZINC000046887629	low	7.03	-45.62	1	294.37	1.595	2	2	6	C[C@H](C[NH+]1CCOCC1)NC(=O)CCc1ccc(F)cc1
342090430	ZINC000616318928	ref	2.01	-12.16	0	278.352	1.461	1	4	4	COCc1cncc(C(=O)N2CCC[C@@H](CO)[C@H]2C)c1
398254109	ZINC000381352953	high	0.67	-32.95	-1	237.307	-0.252	1	4	3	C[C@H](N)[C@@H](C)N=c1ccc(C(=O)N(C)C)n[n-]1
295667007	ZINC000450179826	ref	5.71	-8.78	0	301.452	2.315	0	4	4	CS[C@H]1CCCCN(C(=O)[C@@]2(OC(C)C)CCOC2)C1
124847276	ZINC000054188560	ref	5.47	-59.89	1	280.318	2.083	2	1	2	O=C(N[C@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1F
342090431	ZINC000616319083	ref	3.85	-8.49	0	269.385	1.811	1	3	4	C[C@H]1[C@@H](CO)CCCN1C(=O)C[C@@H](C)[C@H]1CCCO1
342090432	ZINC000616319080	ref	3.88	-7.21	0	269.385	1.811	1	3	4	C[C@H](CC(=O)N1CCC[C@H](CO)[C@H]1C)[C@H]1CCCO1
214201890	ZINC000337659407	ref	4.13	-12.0	0	278.343	2.226	2	2	6	CN(CCCCO)C(=O)NC[C@@H]1CCCC(F)(F)C1
342603327	ZINC000590880578	ref	4.62	-20.81	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@H](C)NC(=O)c1ccc([S@@](C)=O)cc1
214201896	ZINC000337658860	ref	7.38	-18.64	0	297.738	2.032	1	4	6	COC(=O)c1cc(Cl)ccc1OCC(=O)NCC1CC1
214201899	ZINC000337660728	ref	4.79	-9.08	0	279.361	3.356	0	5	5	COc1cc(OC)cc(OCc2nc(C)sc2C)c1
214201904	ZINC000337659187	ref	1.18	-20.01	0	285.325	0.538	1	7	4	Cc1occc1-c1nnc(S(=O)(=O)C[C@H](C)O)n1C
214201907	ZINC000337657961	ref	6.16	-41.93	1	291.386	2.453	3	1	7	CC[NH+](CC)CCNC(=O)NC[C@H]1CCCC(F)(F)C1
168365717	ZINC000368502901	ref	4.16	-13.66	0	330.347	3.215	1	5	4	O=C(NCc1ncc(-c2ccccc2)cn1)c1ccc2ncoc2c1
342603328	ZINC000590880285	ref	4.71	-13.24	0	271.357	1.507	1	4	5	COC(=O)CC(C)(C)CC(=O)N[C@H]1COCC1(C)C
342603329	ZINC000590881607	ref	5.16	-12.0	0	296.298	1.819	1	4	3	C[C@H](C(=O)N1CC[C@@H](O)[C@H]1C)c1ccc([N+](=O)[O-])cc1F
214201917	ZINC000337660509	ref	3.72	-7.74	0	263.328	2.335	2	2	4	CC(C)[C@@](C)(O)C(=O)NCC1CCC(F)(F)CC1
342603330	ZINC000590880199	ref	2.3	-11.46	0	270.292	1.824	1	5	5	CCCc1ncc(CNC(=O)c2cccc(C#N)n2)o1
398250046	ZINC000650876472	ref	5.03	-18.33	0	297.399	1.205	1	3	3	CC[C@@H]1CN(C(=O)N[C@H]2CCN(C(C)C)C2=O)[C@H](C)CO1
178326191	ZINC000095728303	ref	9.74	-48.95	-1	214.333	4.259	0	1	1	Cc1ccc(-c2cccc([S-])c2)cc1C
178326194	ZINC000095728303	mid	9.2	-3.69	0	214.333	4.259	1	1	1	Cc1ccc(-c2cccc(S)c2)cc1C
342603331	ZINC000590880606	ref	8.44	-47.21	1	298.427	1.908	1	3	6	CC[C@@H](C)[NH+]1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1
342603332	ZINC000590880606	mid	6.65	-11.61	0	298.427	1.908	0	4	6	CC[C@@H](C)N1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1
342603333	ZINC000590881615	ref	5.72	-12.76	0	272.348	1.741	1	3	4	C[C@@H]1[C@H](O)CCN1C(=O)[C@H](C#N)CCc1ccccc1
342603334	ZINC000590881615	high	5.66	-10.65	0	272.348	1.741	1	3	4	C[C@@H]1[C@H](O)CCN1C(=O)C(C#N)CCc1ccccc1
290624460	ZINC000365244130	ref	6.41	-6.84	0	250.367	2.795	0	3	1	C[C@H]1CC[C@@]2(CCN(C(=O)c3nccs3)C2)C1
168367898	ZINC000354598298	ref	4.09	-8.7	0	235.393	2.388	1	2	8	CCC(CC)CS(=O)(=O)NCCC(C)C
214201928	ZINC000337658255	ref	7.09	-8.68	0	278.421	3.409	2	2	6	CC[C@H](CSc1ccccc1)NC(=O)NC1CCC1
342603335	ZINC000590880623	ref	4.36	-6.59	0	295.339	1.018	0	6	4	CC[C@@H](C)N1CCN(C(=O)c2cc(C(=O)OC)no2)CC1
342603336	ZINC000590880623	mid	6.09	-44.35	1	295.339	1.018	1	5	4	CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(C(=O)OC)no2)CC1
342603337	ZINC000590880902	ref	4.15	-8.92	0	259.309	1.497	1	4	5	CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cccc(C#N)n1
168367608	ZINC000368523506	ref	8.94	-13.34	0	338.521	3.38	1	4	7	CSCCCCCNC(=O)N1CCC[C@@H](n2nc(C)cc2C)C1
342603338	ZINC000589821524	ref	7.1	-64.33	1	289.383	1.363	1	4	6	Cc1cc(N2CC[C@@H]([NH2+]C[C@@H](C)CCC#N)C2=O)n(C)n1
342603339	ZINC000589821524	high	5.98	-20.79	0	289.383	1.363	1	5	6	Cc1cc(N2CC[C@@H](NC[C@@H](C)CCC#N)C2=O)n(C)n1
197611077	ZINC000163103666	ref	4.26	-14.83	0	306.284	2.506	3	3	6	C[C@@H](Cc1ccc(O)cc1)NC(=O)NOCCC(F)(F)F
342603340	ZINC000590880885	ref	6.15	-10.49	0	285.384	1.895	1	4	8	COC(=O)CC(C)(C)CC(=O)N[C@@H](C)[C@@H](OC)C1CC1
214201891	ZINC000293804607	high	2.17	-14.06	0	356.426	0.925	2	4	1	CN1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
214201894	ZINC000293801863	ref	-1.37	-14.64	0	367.427	0.178	3	5	2	NS(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@H](O)C23CCCC3)cc1
342603341	ZINC000590880865	ref	2.8	-10.66	0	255.321	1.706	2	3	5	Cc1ncccc1CN[C@H](C(N)=O)c1ccccc1
214201898	ZINC000293806079	ref	7.02	-21.1	0	364.446	0.041	0	6	2	C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)N1C(=O)Cn1ccc(=O)n(C)c1=O
214201903	ZINC000293794025	ref	3.95	-13.38	0	358.416	0.474	1	7	9	CCOC(=O)C(=O)c1cc(S(=O)(=O)NC[C@@H](OC)C2CC2)cn1C
342603342	ZINC000590880865	low	3.88	-41.53	1	255.321	1.706	2	2	5	Cc1ncccc1C[NH2+][C@H](C(N)=O)c1ccccc1
214201909	ZINC000293801048	ref	2.78	-20.28	0	360.407	0.949	0	5	5	COc1ccc(F)c(C(=O)N(C)[C@H]2CCN(S(C)(=O)=O)C2)c1OC
306234771	ZINC000557930224	ref	4.82	-16.5	0	342.461	1.614	1	4	8	CC(C)CO[C@H](C)C(=O)NCc1cccc(S(=O)(=O)N(C)C)c1
214201913	ZINC000293799651	ref	0.78	-25.89	0	363.233	0.784	2	4	3	C[C@H]1[C@@H](NC(=O)Cc2cc[nH]c(=O)c2Br)CCS1(=O)=O
214201920	ZINC000293794972	ref	5.28	-71.03	2	372.473	0.723	3	5	4	Cc1cc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn2ccnc12
214201925	ZINC000293794972	mid	5.43	-71.34	2	372.473	0.723	3	5	4	Cc1cc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn2ccnc12
214201927	ZINC000293794972	mid	2.7	-10.51	0	372.473	0.723	3	4	4	Cc1cc(NC(=O)C(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn2cc[nH+]c12
214201930	ZINC000293794972	mid	5.43	-71.34	2	372.473	0.723	3	4	4	Cc1cc(NC(=O)C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cn2cc[nH+]c12
398254110	ZINC000381601963	ref	2.99	-36.89	1	229.364	1.944	2	2	8	CC[C@](C)(CCO)[NH2+]CC1(COC)CCC1
168367901	ZINC000043334518	ref	1.18	-35.33	1	168.24	1.23	1	2	3	C[C@@H]([NH3+])[C@H](c1ccco1)N(C)C
185091625	ZINC000096080554	low	5.99	-55.17	1	294.358	1.433	1	3	3	O=C(c1ccncc1)N1C[C@H]2C[N@@H+](Cc3ccncc3)[C@H]2C1
214201892	ZINC000278510433	ref	7.11	-17.71	0	313.85	2.642	0	2	5	CC[S@@](=O)CC(=O)N1CCC[C@H]1Cc1ccccc1Cl
210255968	ZINC000004712188	ref	6.33	-12.2	0	346.537	2.771	1	3	10	CCCC[C@H](CC)CNC(=O)[C@H]1CCCN(S(=O)(=O)CCC)C1
214201895	ZINC000278511150	ref	7.06	-53.77	1	324.465	2.542	1	3	6	Fc1cccc([C@@H](C[NH2+]C[C@@H]2CCSC2)N2CCOCC2)c1
365650890	ZINC000623091190	ref	6.33	-85.58	2	305.466	1.363	3	2	8	C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N(C)CC[NH+](C)CCO
282123828	ZINC000248985859	mid	6.64	-51.97	1	324.377	1.835	2	5	7	CC[C@]1(C)C[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CCO1
210255974	ZINC000004710409	ref	6.35	-11.72	0	348.399	3.286	1	5	8	COCCN(Cc1ccc(C)o1)C(=O)Nc1ccc(OC)cc1OC
210255979	ZINC000004712914	ref	12.88	-11.71	0	349.389	5.338	0	3	2	O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc2ccccc2c1
210255989	ZINC000004713131	ref	9.69	-13.52	0	337.343	2.633	0	8	5	Cc1cc(C)n(-c2cc(N=NCc3ccc([N+](=O)[O-])cc3)ncn2)n1
230745215	ZINC000414375283	ref	8.34	-10.44	0	322.43	3.374	0	4	6	CCCN1C(=O)N(c2ccc(OC)c(SC)c2)C(=O)[C@H]1CC
365650896	ZINC000623091190	mid	6.05	-88.72	2	305.466	1.363	3	2	8	C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N(C)CC[NH+](C)CCO
168365721	ZINC000368507597	ref	6.46	-47.58	1	333.378	3.196	3	2	5	O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@H+](CC[C@@H](O)c2ccccc2)C1
342090433	ZINC000046887768	ref	3.37	-7.41	0	252.358	1.18	1	3	5	C[C@H](CN1CCOCC1)NC(=O)C[C@H]1C=CCC1
342090434	ZINC000046887768	low	5.71	-43.27	1	252.358	1.18	2	2	5	C[C@H](C[NH+]1CCOCC1)NC(=O)C[C@H]1C=CCC1
210255997	ZINC000004713131	mid	11.01	-15.4	0	337.343	2.633	1	8	5	Cc1cc(C)n(-c2cc(NN=Cc3ccc([N+](=O)[O-])cc3)ncn2)n1
222609699	ZINC000125795510	ref	0.95	-12.1	0	326.303	1.288	2	6	6	Cc1c(C(=O)N[C@@H](C)CO)nnn1-c1ccc(OC(F)F)cc1
168365722	ZINC000368507597	mid	5.68	-45.29	1	333.378	3.196	3	2	5	O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)[N@@H+](CC[C@@H](O)c2ccccc2)C1
259310074	ZINC000526045438	high	3.51	-8.87	0	245.29	-0.196	0	7	1	c1cn2nnnc2c(N2CCN3CCC2CC3)n1
342090435	ZINC000616318920	ref	2.02	-14.48	0	269.37	1.008	1	5	3	Cc1nnc(CC(=O)N2CCC[C@@H](CO)[C@@H]2C)s1
342090436	ZINC000046886618	ref	3.57	-8.17	0	288.347	1.883	1	4	4	C[C@H](CN1CCOCC1)NC(=O)c1cc2ccccc2o1
365650893	ZINC000274400795	ref	4.37	-18.0	0	283.397	1.054	2	5	6	CC[C@H](C)[C@H](O)C(=O)NCCc1cn2c(n1)SCC2
365650903	ZINC000274398773	ref	4.13	-11.29	0	276.34	1.502	2	4	6	O=C(CCC1CCCC1)NCC(=O)Nc1cncnc1
365650915	ZINC000274399543	ref	4.27	-49.07	1	267.76	1.891	3	1	3	Cc1cc(Cl)ccc1C[N@@H+]1CC[C@@H](NC(N)=O)C1
365650920	ZINC000274399543	mid	4.43	-50.03	1	267.76	1.891	3	1	3	Cc1cc(Cl)ccc1C[N@H+]1CC[C@@H](NC(N)=O)C1
365650926	ZINC000274399543	mid	1.67	-9.16	0	267.76	1.891	2	2	3	Cc1cc(Cl)ccc1CN1CC[C@@H](NC(N)=O)C1
342090437	ZINC000046886618	low	5.9	-41.75	1	288.347	1.883	2	3	4	C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2o1
342090438	ZINC000618613015	ref	5.95	-12.59	0	283.274	1.988	1	3	3	C[C@@]1(CNC(=O)[C@H]2COc3ccccc3O2)CC1(F)F
342090439	ZINC000046887035	ref	3.48	-8.86	0	292.379	1.292	1	4	7	C[C@@H](CN1CCOCC1)NC(=O)CCOc1ccccc1
178326198	ZINC000067673367	ref	9.71	-9.7	0	246.313	4.119	0	2	2	Cc1ccc(-c2ccccc2-c2ccccc2)nn1
342090440	ZINC000046887035	low	5.87	-45.14	1	292.379	1.292	2	3	7	C[C@@H](C[NH+]1CCOCC1)NC(=O)CCOc1ccccc1
398250047	ZINC000192765311	ref	1.02	-16.27	0	235.243	0.204	2	4	2	CN1C[C@H](C(=O)Nc2ncccc2O)CC1=O
178326207	ZINC000095727252	ref	6.7	-5.98	0	230.282	3.336	1	1	3	Cc1ccc(-c2cccc(CCO)c2)cc1F
178326211	ZINC000084005916	ref	7.64	-6.26	0	202.278	3.536	0	2	2	Cc1ccc(-c2cccc(C=O)c2)s1
398250051	ZINC000192765311	high	1.78	-43.76	-1	235.243	0.204	1	4	2	CN1C[C@H](C(=O)Nc2ncccc2[O-])CC1=O
178326220	ZINC000215312993	ref	8.57	-67.53	-1	227.263	3.064	0	3	2	Cc1ccc(-c2ccccc2C(=O)[O-])nc1C
178326228	ZINC000065340246	ref	5.52	-7.27	0	212.248	3.18	1	2	2	Cc1ccc(-c2ccccc2C=O)cc1O
168365724	ZINC000368507597	mid	4.41	-7.7	0	333.378	3.196	2	3	5	O[C@@H]1C[C@@H](c2ccc(F)c(F)c2)N(CC[C@@H](O)c2ccccc2)C1
168367609	ZINC000354619221	ref	3.58	-46.85	1	248.392	1.046	2	2	6	CCC(CC)CS(=O)(=O)N[C@H]1CC[N@H+](C)C1
178326232	ZINC000035653888	ref	6.0	-6.54	0	249.111	3.215	0	2	1	Cc1ccc(-c2cccc(Br)n2)nc1
230240000	ZINC000343140283	ref	-2.65	-20.56	0	276.318	-1.304	3	5	7	CNS(=O)(=O)NCC(=O)NCCc1cc(C)no1
230240009	ZINC000343175354	ref	-1.94	-20.6	0	295.361	-1.616	1	5	7	COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@H]1C(N)=O
230240015	ZINC000343165662	ref	-3.91	-17.83	0	282.362	-1.171	3	5	10	CC[C@H](CO)NC(=O)CNS(=O)(=O)CCCOC
230240021	ZINC000343203755	ref	-1.15	-13.58	0	265.273	-2.005	2	5	2	Cn1cc(CNC(=O)C(=O)N2CCNC(=O)C2)cn1
168365726	ZINC000368505754	ref	9.81	-9.75	0	344.846	3.448	1	4	4	Cc1ccc(CNC(=O)[C@@H]2CC=CC[C@H]2C)c(-n2cc(Cl)cn2)n1
365650895	ZINC000641615365	ref	0.05	-10.29	0	284.381	1.168	3	4	5	CNS(=O)(=O)c1ccccc1N[C@H]1CC[C@@H](CO)C1
365650902	ZINC000641612376	ref	2.48	-15.17	0	279.427	1.086	1	4	7	O=S(=O)(CCC[C@@H]1CCOC1)NCC1CSC1
349536157	ZINC000621500106	ref	7.94	-7.19	0	292.345	3.344	1	1	3	O=C(N[C@H](C(F)F)C1CCCCC1)N1CCC[C@@H](F)C1
365650910	ZINC000641615763	ref	-1.21	-39.28	0	296.415	1.438	2	4	7	CCC(C)(C)c1n[n-]c(=NC[C@@H]2CCC[N@@H+]2CCCO)o1
214201901	ZINC000053837758	low	8.69	-35.78	1	337.379	2.664	1	4	3	Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4COCCO4)cc3)[nH+]c12
365650917	ZINC000641615763	mid	-0.57	-33.63	0	296.415	1.438	2	4	7	CCC(C)(C)c1n[n-]c(=NC[C@@H]2CCC[N@H+]2CCCO)o1
365650921	ZINC000641615763	high	-2.37	-43.36	-1	296.415	1.438	1	5	7	CCC(C)(C)c1n[n-]c(=NC[C@@H]2CCCN2CCCO)o1
365650930	ZINC000641615677	ref	0.06	-15.34	0	296.295	1.148	1	5	6	COc1cc(CNS(=O)(=O)C[C@]2(C)CC2(F)F)on1
398250049	ZINC000650876753	ref	6.52	-40.29	1	281.4	1.432	2	2	3	CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@@H](C)CO1
398254111	ZINC000250510494	ref	8.56	-32.06	1	237.387	3.112	1	1	4	CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)C12CCCCC2
214201906	ZINC000053844368	ref	3.72	-33.68	0	331.353	1.671	2	6	4	CNC(=O)c1sc2[nH]c(CC(=O)c3ccco3)nc(=O)c2c1C
214201911	ZINC000053844368	high	3.28	-52.22	-1	331.353	1.671	1	6	4	CNC(=O)c1sc2[n-]c(CC(=O)c3ccco3)nc(=O)c2c1C
342090441	ZINC000046887073	ref	4.39	-11.95	0	292.379	1.211	1	4	6	Cc1cccc(OCC(=O)N[C@H](C)CN2CCOCC2)c1
342090442	ZINC000046887073	low	6.74	-48.94	1	292.379	1.211	2	3	6	Cc1cccc(OCC(=O)N[C@H](C)C[NH+]2CCOCC2)c1
342090443	ZINC000046887605	ref	3.3	-9.65	0	284.306	1.415	1	3	4	C[C@H](CN1CCOCC1)NC(=O)c1cc(F)ccc1F
342090444	ZINC000046887605	low	5.63	-46.49	1	284.306	1.415	2	2	4	C[C@H](C[NH+]1CCOCC1)NC(=O)c1cc(F)ccc1F
342090445	ZINC000121920026	ref	6.2	-13.81	0	267.369	1.873	0	3	2	CC(=O)[C@@H]1C[C@H](C(=O)N2C[C@H](C)O[C@H](C)C2)C1(C)C
342090446	ZINC000616319138	ref	3.58	-9.01	0	265.357	1.526	1	4	4	CCCn1nccc1C(=O)N1CCC[C@H](CO)[C@H]1C
342090447	ZINC000046887133	ref	4.59	-11.97	0	292.379	1.536	1	4	6	CCOc1ccccc1C(=O)N[C@@H](C)CN1CCOCC1
342090448	ZINC000046887133	low	7.02	-46.32	1	292.379	1.536	2	3	6	CCOc1ccccc1C(=O)N[C@@H](C)C[NH+]1CCOCC1
342090449	ZINC000616318993	ref	3.93	-12.94	0	251.326	1.75	1	3	3	Cc1ccoc1CC(=O)N1CCC[C@H](CO)[C@@H]1C
290624461	ZINC000359208248	ref	7.18	-10.56	0	293.432	3.029	0	2	3	C[C@H]1CC[C@@]2(CCN(S(=O)(=O)Cc3ccccc3)C2)C1
290624462	ZINC000302071567	ref	6.14	-18.12	0	304.415	2.648	0	3	0	C[C@H]1CC[C@@]2(CCN(C3=NS(=O)(=O)c4ccccc43)C2)C1
342090450	ZINC000046887627	ref	4.72	-8.5	0	294.37	1.595	1	3	6	C[C@@H](CN1CCOCC1)NC(=O)CCc1ccc(F)cc1
342090451	ZINC000046887627	low	7.11	-45.65	1	294.37	1.595	2	2	6	C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1ccc(F)cc1
214201902	ZINC000278510986	ref	7.94	-40.79	1	313.449	2.425	2	3	6	Cc1nc([C@@H]2CCCN(CC[N@@H+](C)Cc3ccccc3)C2)n[nH]1
214201905	ZINC000278510986	mid	7.93	-40.77	1	313.449	2.425	2	3	6	Cc1nc([C@@H]2CCCN(CC[N@H+](C)Cc3ccccc3)C2)n[nH]1
365650897	ZINC000053299198	mid	5.68	-40.52	1	279.428	1.463	2	1	4	O=C(CC[N@H+]1CCC[C@@H]1C1CCCC1)N1CC[NH2+]CC1
214201908	ZINC000278510986	mid	8.01	-43.56	1	313.449	2.425	2	3	6	Cc1n[nH]c([C@@H]2CCCN(CC[N@@H+](C)Cc3ccccc3)C2)n1
214201910	ZINC000278510986	mid	8.02	-43.62	1	313.449	2.425	2	3	6	Cc1n[nH]c([C@@H]2CCCN(CC[N@H+](C)Cc3ccccc3)C2)n1
282123829	ZINC000533475515	ref	3.66	-13.98	0	273.336	1.796	2	3	2	C[C@@H](O)[C@@H]1CCCN(C(=O)c2c[nH]c3ncccc23)C1
342090452	ZINC000616319081	ref	3.85	-8.6	0	269.385	1.811	1	3	4	C[C@H]1[C@@H](CO)CCCN1C(=O)C[C@@H](C)[C@@H]1CCCO1
342090453	ZINC000616318931	ref	1.91	-7.41	0	285.384	1.191	1	4	4	CCOC1(C(=O)N2CCC[C@H](CO)[C@@H]2C)CCOCC1
365650900	ZINC000053299198	mid	6.34	-39.5	1	279.428	1.463	2	2	4	O=C(CC[N@@H+]1CCC[C@@H]1C1CCCC1)N1CCNCC1
365650905	ZINC000053299198	mid	6.34	-39.5	1	279.428	1.463	2	2	4	O=C(CC[N@H+]1CCC[C@@H]1C1CCCC1)N1CCNCC1
259310075	ZINC000323046646	ref	4.24	-7.82	0	231.299	1.996	1	4	3	CON1CCC(Nc2ccc(C#N)cc2)CC1
214201916	ZINC000278510129	ref	4.85	-8.18	0	322.386	2.87	0	7	7	COC[C@@H](OC(=O)c1ccc(OC(C)C)nc1)c1nccs1
214201918	ZINC000278510606	ref	7.5	-10.26	0	304.398	1.949	2	7	4	CC(C)O[C@H]1C[C@@H](Nc2nc(N)c3cnn(C)c3n2)C1(C)C
214201922	ZINC000278510606	low	7.85	-32.87	1	304.398	1.949	2	6	4	CC(C)O[C@H]1C[C@@H](Nc2nc3c(cnn3C)c(N)[nH+]2)C1(C)C
214201926	ZINC000278510706	ref	8.67	-42.84	1	316.445	2.707	2	2	6	C/C(=C\C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)c1ccccc1
342090454	ZINC000616319038	ref	2.43	-15.93	0	293.363	1.177	2	4	5	C[C@@H]1[C@H](CO)CCCN1C(=O)COc1ccc(CO)cc1
342090455	ZINC000616318929	ref	1.92	-6.27	0	285.384	1.191	1	4	4	CCOC1(C(=O)N2CCC[C@H](CO)[C@H]2C)CCOCC1
214201915	ZINC000053833228	ref	2.97	-14.45	0	336.417	1.905	3	4	6	Cc1cc(NC(=O)c2ccc(S(=O)(=O)NCC(C)C)cc2)n[nH]1
214201919	ZINC000053843365	ref	7.18	-28.37	0	338.392	2.429	2	5	2	Cc1sc2[nH]c(Cc3nc4ccccc4c(=O)[nH]3)nc(=O)c2c1C
214201923	ZINC000053837441	ref	8.03	-29.08	0	335.36	2.441	2	5	5	Cc1c(OCC(=O)NC(=O)NC2CCCCC2)cccc1[N+](=O)[O-]
197611091	ZINC000290145426	ref	0.73	-12.8	0	295.307	0.329	2	4	6	C[C@H](O)CN(CCO)S(=O)(=O)c1cccc(F)c1F
214202816	ZINC000278512398	ref	5.08	-7.17	0	300.406	3.04	0	5	4	Cc1nc([C@H](C)N2CCC(N(C)c3ccccc3)CC2)no1
214202819	ZINC000278512398	low	7.23	-36.44	1	300.406	3.04	1	4	4	Cc1nc([C@H](C)[NH+]2CCC(N(C)c3ccccc3)CC2)no1
342090456	ZINC000046887708	ref	3.58	-7.55	0	282.409	1.518	1	4	6	C[C@@H](CN1CCOCC1)NC(=O)CCc1ccsc1
197611097	ZINC000290143186	ref	7.06	-52.51	1	286.379	1.236	2	4	7	CN(C)c1ncc(C[NH2+]C[C@H](O)Cc2ccccc2)cn1
197611099	ZINC000290143186	high	5.8	-9.29	0	286.379	1.236	2	5	7	CN(C)c1ncc(CNC[C@H](O)Cc2ccccc2)cn1
214202822	ZINC000278513318	ref	7.01	-42.47	1	322.424	2.63	2	2	6	C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H](O)c1ccc(F)cc1
197611105	ZINC000290145796	ref	2.87	-15.19	0	292.364	2.219	2	5	5	COc1ccccc1NC(=O)NCCc1nnc(C)s1
342090457	ZINC000046887708	low	5.97	-43.3	1	282.409	1.518	2	3	6	C[C@@H](C[NH+]1CCOCC1)NC(=O)CCc1ccsc1
342090458	ZINC000046887631	ref	2.52	-9.12	0	296.342	1.285	1	4	5	COc1ccc(C(=O)N[C@@H](C)CN2CCOCC2)cc1F
342090459	ZINC000046887631	low	4.95	-45.49	1	296.342	1.285	2	3	5	COc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1F
342090460	ZINC000121915068	ref	4.19	-9.74	0	254.355	1.804	2	3	3	C[C@@]1(CO)CCCN1C(=O)NCc1cccs1
342090461	ZINC000616319095	ref	2.9	-11.98	0	255.358	1.421	1	3	3	CO[C@@H]1CC[C@H](C(=O)N2CCC[C@H](CO)[C@@H]2C)C1
342090462	ZINC000046886616	ref	3.57	-8.47	0	288.347	1.883	1	4	4	C[C@@H](CN1CCOCC1)NC(=O)c1cc2ccccc2o1
342090463	ZINC000046886616	low	5.97	-41.81	1	288.347	1.883	2	3	4	C[C@@H](C[NH+]1CCOCC1)NC(=O)c1cc2ccccc2o1
342090464	ZINC000616318926	ref	1.96	-9.86	0	278.352	1.461	1	4	4	COCc1cncc(C(=O)N2CCC[C@H](CO)[C@H]2C)c1
342104067	ZINC000041775303	low	8.48	-44.63	1	273.336	1.605	1	3	7	C[C@@H](OCc1ccccc1)C(=O)NCCn1cc[nH+]c1
342104068	ZINC000202352637	ref	3.32	-10.0	0	297.152	1.98	2	2	3	C[C@]1(CCc2ccc(Br)cc2)NC(=O)NC1=O
178326204	ZINC000237722844	mid	4.27	-15.03	0	365.499	1.049	1	4	4	C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CCN1
178326206	ZINC000237723582	ref	5.52	-52.82	1	350.587	1.99	1	1	1	O=C(c1ccc(Cl)c(I)c1)N1CC[NH2+]CC1
210255902	ZINC000428330193	ref	-1.02	-13.26	0	349.412	0.771	3	5	3	CC1(C)[C@@H](NC(=O)c2nccc3c(S(N)(=O)=O)cccc23)C[C@H]1O
178326210	ZINC000237723582	mid	4.23	-7.8	0	350.587	1.99	1	2	1	O=C(c1ccc(Cl)c(I)c1)N1CCNCC1
299072534	ZINC000459277780	ref	4.71	-12.27	0	318.373	2.537	2	4	3	CO[C@H]1C[C@@H](NC(=O)Nc2ccc3c(c2)OCCO3)C12CCC2
210255911	ZINC000428371904	ref	2.01	-24.39	0	337.405	0.785	2	6	5	Cc1ccnc(-c2n[nH]c([C@H](C)NC(=O)[C@@H](C)S(C)(=O)=O)n2)c1
178326213	ZINC000237717971	ref	2.03	-9.03	0	368.121	1.496	2	3	2	O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1COCCN1
222609698	ZINC000283752408	ref	5.77	-7.02	0	304.39	1.915	1	3	8	C=CCCOCCNC(=O)C(=O)N(C)[C@H](C)c1ccccc1
178326217	ZINC000237717971	low	3.39	-46.64	1	368.121	1.496	2	2	2	O=C(Nc1cc(F)c(I)c(F)c1)[C@@H]1COCC[NH2+]1
210255915	ZINC000428371245	ref	0.18	-16.75	0	340.392	0.323	2	4	7	O=C(C1CCCC1)N1CC(S(=O)(=O)N[C@@H](CO)CC(F)F)C1
210255920	ZINC000428342188	ref	2.28	-12.04	0	342.417	0.547	1	6	7	COC(=O)[C@@H]1CCC[C@H]1S(=O)(=O)N(CCO)Cc1cccnc1
178326219	ZINC000237723488	ref	5.45	-55.09	1	365.499	1.216	1	3	3	Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CC[NH2+][C@@H](C)C3)CC2)cc1
197611093	ZINC000163096595	ref	8.5	-10.39	0	312.413	2.984	1	2	4	O=C(NC1CC1)c1ccc(C(=O)N2CCC[C@H]2C2CCC2)cc1
178326223	ZINC000237723488	mid	4.19	-13.81	0	365.499	1.216	1	4	3	Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN[C@@H](C)C3)CC2)cc1
178326225	ZINC000237723518	ref	7.41	-60.74	1	355.394	1.546	2	5	4	Cn1ccc(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)cc1=O
178326230	ZINC000237716773	ref	7.2	-61.04	1	363.433	1.269	1	3	5	O=C(C[NH2+]C[C@@H]1CCCO1)N1CCCN(C(=O)c2ccc(F)cc2)CC1
178326234	ZINC000237716773	high	5.77	-18.32	0	363.433	1.269	1	4	5	O=C(CNC[C@@H]1CCCO1)N1CCCN(C(=O)c2ccc(F)cc2)CC1
342603343	ZINC000590881594	ref	4.7	-11.97	0	277.32	1.459	1	4	3	CCOC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1
342603344	ZINC000590880920	ref	4.88	-26.34	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@H](C)NC(=O)c1cccc([S@@](C)=O)c1
398250050	ZINC000390815616	ref	5.55	-4.72	0	233.237	2.438	1	3	4	CCCCNc1cc(C(F)(F)F)nc(C)n1
349536161	ZINC000621498913	ref	7.74	-9.72	0	272.339	3.029	1	1	5	CN(C[C@H]1CC=CCC1)C(=O)NCC[C@H]1CC1(F)F
342603345	ZINC000590881001	ref	3.85	-14.91	0	280.28	1.199	1	5	3	COc1cc(C(=O)N2CC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-]
282123830	ZINC000151696514	ref	5.95	-14.44	0	322.38	2.353	1	3	6	COC[C@@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(C)C
282123838	ZINC000151696607	ref	5.95	-14.38	0	322.38	2.353	1	3	6	COC[C@H](NC(=O)c1cc(N2CCCC2=O)ccc1F)C(C)C
342603346	ZINC000590880576	ref	4.86	-19.66	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1ccc([S@@](C)=O)cc1
214201929	ZINC000278510706	mid	8.68	-41.01	1	316.445	2.707	2	2	6	C/C(=C\C(=O)NCCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1
342603347	ZINC000590880101	ref	5.28	-14.61	0	299.411	1.975	1	4	4	COC(=O)CC(C)(C)CC(=O)N1CC[C@@H](O)CC(C)(C)C1
222609700	ZINC000291778115	ref	8.45	-13.0	0	320.364	1.864	1	4	4	COC(=O)C1(NC(=O)[C@H]2CCN(c3ccccc3F)C2)CCC1
342603348	ZINC000590881074	ref	3.5	-16.79	0	270.31	1.56	1	5	2	Cc1sc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
282123846	ZINC000151695867	ref	5.94	-8.58	0	313.438	2.378	0	4	5	CC(C)(C)OC1CCN(C(=O)CCOC2CCOCC2)CC1
365650901	ZINC000623091190	mid	5.85	-81.81	2	305.466	1.363	3	2	8	C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1N(C)CC[N@H+](C)CCO
214201932	ZINC000278510706	high	6.46	-6.97	0	316.445	2.707	1	3	6	C/C(=C\C(=O)NCCCN1CCCO[C@H](C)C1)c1ccccc1
197611104	ZINC000163097350	ref	7.63	-12.08	0	315.442	3.37	1	3	2	O=C(c1cc[nH]c1)N1CCC[C@H](c2nc3c(s2)CCCC3)C1
365650906	ZINC000623091190	mid	5.87	-82.19	2	305.466	1.363	3	2	8	C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1N(C)CC[N@@H+](C)CCO
365650912	ZINC000623091190	high	3.99	-37.61	1	305.466	1.363	2	3	8	C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N(C)CCN(C)CCO
342603349	ZINC000590880600	ref	7.39	-37.0	1	272.352	1.51	1	3	3	CC[C@@H](C)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1
342603350	ZINC000590880600	mid	5.58	-8.68	0	272.352	1.51	0	4	3	CC[C@@H](C)N1CCN(C(=O)c2cccc(C#N)n2)CC1
342603351	ZINC000590880601	ref	7.43	-37.06	1	272.352	1.51	1	3	3	CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(C#N)n2)CC1
365650916	ZINC000623091190	high	3.72	-36.79	1	305.466	1.363	2	3	8	C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N(C)CCN(C)CCO
342603352	ZINC000590880601	mid	5.72	-8.51	0	272.352	1.51	0	4	3	CC[C@H](C)N1CCN(C(=O)c2cccc(C#N)n2)CC1
197611112	ZINC000163106263	ref	1.67	-16.38	0	318.402	2.462	3	4	3	NC(=O)[C@@H]1CCC[C@H](NC(=O)Nc2ccc3ncsc3c2)C1
230745251	ZINC000450495881	ref	8.67	-48.73	1	319.449	1.887	1	3	5	C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1
342090465	ZINC000310122646	ref	5.46	-10.93	0	254.311	1.534	1	5	4	COC(=O)[C@H](Sc1ncc(C)c(=O)[nH]1)C1CC1
342090466	ZINC000310122646	mid	4.33	-47.19	-1	254.311	1.534	0	5	4	COC(=O)[C@H](Sc1ncc(C)c(=O)[n-]1)C1CC1
343995690	ZINC000599276979	ref	2.04	-10.33	0	297.355	1.083	1	7	7	CCOC(=O)C[C@H](O)CN1CCC[C@@H]1c1noc(CC)n1
214201934	ZINC000337657701	ref	3.05	-46.1	1	273.402	0.512	3	3	4	C[NH+](C)[C@]1(CNC(=O)N[C@H]2CCOC2)CCSC1
214201936	ZINC000337657701	high	0.89	-8.26	0	273.402	0.512	2	4	4	CN(C)[C@]1(CNC(=O)N[C@H]2CCOC2)CCSC1
214201938	ZINC000337657700	ref	2.82	-48.13	1	273.402	0.512	3	3	4	C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CCOC2)CCSC1
214201940	ZINC000337657700	high	0.95	-8.51	0	273.402	0.512	2	4	4	CN(C)[C@@]1(CNC(=O)N[C@H]2CCOC2)CCSC1
214201943	ZINC000337658966	ref	5.23	-10.18	0	268.401	2.369	2	2	4	C[C@@H]1CCC[C@@H]1NC(=O)N1CCC(CCCO)CC1
214201946	ZINC000337658756	ref	8.25	-11.3	0	289.423	3.09	1	2	3	C[C@@H]1CCN(C(=O)N[C@H](C)Cc2ccncc2)C[C@@H](C)C1
214201948	ZINC000337660565	ref	5.64	-42.62	1	270.332	2.315	2	2	4	O=C1NCCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1
214201951	ZINC000337660565	mid	4.42	-10.14	0	270.332	2.315	2	3	4	O=C1NCCC[C@H]1NCc1ccc(-c2ccccc2)o1
214201953	ZINC000337659137	ref	7.98	-50.6	1	265.361	0.614	2	4	8	CC[NH+](CC)CC(=O)NCCn1cnnc1C1CC1
342090467	ZINC000609091818	ref	6.78	-45.37	1	257.337	1.636	2	2	4	C[N@H+](CC(=O)NCC#N)[C@@H]1CCCc2ccccc21
398250052	ZINC000650876753	mid	6.39	-40.04	1	281.4	1.432	2	2	3	CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@@H](C)CO1
214201956	ZINC000337659137	high	5.91	-18.62	0	265.361	0.614	1	5	8	CCN(CC)CC(=O)NCCn1cnnc1C1CC1
343995693	ZINC000599276827	ref	3.98	-27.56	0	272.268	1.518	1	5	2	Cc1cc(C(=O)Nc2nnc3[n-][nH+]c(C)c(C)c2-3)on1
343995695	ZINC000599276827	high	2.85	-68.38	-1	272.268	1.518	0	5	2	Cc1cc(C(=O)[N-]c2nnc3[n-][nH+]c(C)c(C)c2-3)on1
343995697	ZINC000599276614	ref	3.81	-10.76	0	262.313	1.245	0	6	6	CCN(Cc1cnc(C(=O)OC)cn1)C[C@H](C)C#N
343995699	ZINC000599276808	ref	3.91	-36.88	0	257.253	1.815	1	4	2	Cc1[nH+][n-]c2nnc(NC(=O)c3ccoc3)c-2c1C
214201967	ZINC000337658579	ref	6.42	-15.3	0	297.322	0.597	1	7	5	Cc1ccc(-n2cc(C(=O)NCCn3cncn3)nn2)cc1
299072536	ZINC000354605331	ref	3.95	-22.75	0	347.331	0.353	1	7	7	COC[C@@H](C(N)=O)N(C)C(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1
346818992	ZINC000067761015	ref	6.19	-9.62	0	286.331	2.786	1	4	6	C=CCOc1ccc(C(=O)NCc2c(C)noc2C)cc1
210255928	ZINC000428371565	ref	-0.57	-14.04	0	348.327	0.207	2	5	6	CN1C(=O)c2ccc(S(=O)(=O)N[C@@H](CO)CC(F)F)cc2C1=O
214201933	ZINC000293794972	high	2.7	-10.51	0	372.473	0.723	2	6	4	Cc1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cn2ccnc12
214201937	ZINC000293807261	ref	6.76	-13.85	0	366.422	0.53	1	7	1	Cc1nc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)nn1C
214201942	ZINC000293803567	ref	1.17	-23.85	0	366.399	0.481	3	6	8	CCOC(=O)c1c[nH]nc1S(=O)(=O)N[C@H](CC(N)=O)c1ccccc1
214201945	ZINC000293803567	mid	0.43	-68.8	-1	366.399	0.481	2	6	8	CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-][C@H](CC(N)=O)c1ccccc1
214201950	ZINC000293805743	ref	4.17	-52.08	1	357.501	0.971	2	4	4	C[N@@H+]1CCC[C@@]2(CCN(C(=O)CNS(=O)(=O)c3cccs3)C2)C1
214201954	ZINC000293805743	mid	4.06	-49.26	1	357.501	0.971	2	4	4	C[N@H+]1CCC[C@@]2(CCN(C(=O)CNS(=O)(=O)c3cccs3)C2)C1
282123831	ZINC000114261329	ref	7.53	-20.23	0	295.346	1.584	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3ccccn3c1)CC2
282123835	ZINC000171332792	ref	5.89	-16.58	0	295.346	1.813	2	4	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3ccccc3[nH]1)CC2
210255945	ZINC000428355139	ref	1.33	-21.85	0	334.405	0.571	3	6	7	Cc1ccnc(-c2n[nH]c([C@@H](C)NC(=O)CSCC(N)=O)n2)c1
210255951	ZINC000428334307	ref	1.51	-14.33	0	332.426	0.461	1	7	8	COCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)C[C@@H](C)COC
210255956	ZINC000428342599	ref	0.62	-21.45	0	344.4	0.981	2	7	6	NS(=O)(=O)c1ccc(NCc2cn(Cc3cccnc3)nn2)cc1
210255964	ZINC000428350804	ref	3.15	-11.01	0	349.362	0.577	1	6	6	CCOC(=O)CNC(=O)[C@H]1COCCN1Cc1cccc(F)c1C#N
214201958	ZINC000293805743	high	3.77	-73.5	0	357.501	0.971	1	4	4	C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)C1
210255969	ZINC000428339076	ref	2.66	-29.02	0	329.466	0.986	2	3	4	CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCCN(C)C2=O)C1
210255975	ZINC000428346692	ref	2.36	-16.22	0	327.454	0.94	2	5	5	Cc1nnc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)[nH]1
210255980	ZINC000428346692	mid	1.91	-14.08	0	327.454	0.94	2	5	5	Cc1nc(CN2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n[nH]1
214201961	ZINC000293805743	high	3.66	-70.82	0	357.501	0.971	1	4	4	C[N@H+]1CCC[C@@]2(CCN(C(=O)C[N-]S(=O)(=O)c3cccs3)C2)C1
210255983	ZINC000428371978	ref	-0.01	-16.88	0	348.371	0.873	3	4	8	O=C(NC1CC1)c1cccc(S(=O)(=O)N[C@@H](CO)CC(F)F)c1
210255985	ZINC000428371722	ref	1.56	-19.87	0	337.344	0.909	2	5	8	COC(=O)c1ccc(CS(=O)(=O)N[C@@H](CO)CC(F)F)cc1
214201935	ZINC000278511811	ref	4.48	-44.96	1	318.417	1.973	1	4	5	C[C@H]([NH2+]CC1(N2CCOCC2)CC1)c1ccc2c(c1)OCCO2
214201939	ZINC000278510849	ref	4.6	-42.64	1	306.406	2.427	2	3	6	COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCOC[C@H]2C)cc1
214201941	ZINC000278511788	ref	6.87	-37.58	1	302.462	2.807	1	2	6	C[C@@H]([NH2+]CC1(N2CCOCC2)CC1)C(C)(C)c1ccccc1
214201944	ZINC000278510042	ref	8.72	-15.5	0	303.362	1.883	1	5	3	CC1(C)CCc2nc(NC(=O)C[C@@H]3COC(=O)C3)ncc2C1
342603353	ZINC000590881614	ref	5.66	-10.65	0	272.348	1.741	1	3	4	C[C@@H]1[C@H](O)CCN1C(=O)[C@@H](C#N)CCc1ccccc1
214201947	ZINC000278510521	ref	5.78	-8.81	0	319.434	2.361	1	6	4	C[C@@H]1CCCN(Cc2csc(NC(=O)c3cncn3C)n2)C1
214201949	ZINC000278510521	low	8.42	-38.59	1	319.434	2.361	2	5	4	C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3cncn3C)n2)C1
214201952	ZINC000278510521	low	8.12	-38.27	1	319.434	2.361	2	5	4	C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cncn3C)n2)C1
214201955	ZINC000278509690	ref	7.94	-49.47	1	308.447	2.535	2	3	4	Cc1occc1C(=O)NC1CC[NH+](C[C@@H]2CCSC2)CC1
214201959	ZINC000278511310	ref	6.84	-55.29	1	307.394	3.279	1	4	5	C[C@@H]([NH2+]C[C@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201962	ZINC000278511310	mid	5.66	-9.47	0	307.394	3.279	1	5	5	C[C@@H](NC[C@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201966	ZINC000278511154	ref	6.8	-54.39	1	324.465	2.542	1	3	6	Fc1cccc([C@H](C[NH2+]C[C@@H]2CCSC2)N2CCOCC2)c1
365650908	ZINC000124439613	ref	7.06	-12.96	0	285.347	2.171	1	4	4	C[C@]1(CNC(=O)c2cccc(-n3ccnc3)c2)CCCO1
365650918	ZINC000124439613	low	7.57	-38.92	1	285.347	2.171	1	3	4	C[C@]1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCO1
214201968	ZINC000278511312	ref	6.83	-53.99	1	307.394	3.279	1	4	5	C[C@@H]([NH2+]C[C@@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
259310664	ZINC000229551234	high	8.02	-5.28	0	222.376	3.196	1	2	5	CC(C)C(CN[C@H]1CCC[C@@H]1C#N)C(C)C
365650927	ZINC000124437038	ref	5.12	-9.49	0	283.759	2.386	1	4	4	C=C(Cl)CN1CCC(C(=O)Nc2cc(C)on2)CC1
214201969	ZINC000278511312	mid	5.73	-10.03	0	307.394	3.279	1	5	5	C[C@@H](NC[C@@H]1CCSC1)c1nc(-c2cccc(F)c2)no1
214201970	ZINC000278511703	ref	5.88	-12.82	0	304.398	1.696	1	7	7	CC[C@H](COC)Nc1cnn(Cc2nnc3n2CCCC3)c1
214201971	ZINC000278510552	ref	10.25	-12.39	0	319.372	1.986	1	7	4	Cn1ncc2c(N)nc(N(Cc3ccc(C#N)cc3)C3CC3)nc21
214201972	ZINC000278510552	low	10.47	-42.96	1	319.372	1.986	1	6	4	Cn1ncc2c(N)[nH+]c(N(Cc3ccc(C#N)cc3)C3CC3)nc21
365650913	ZINC000173003248	ref	3.83	-14.18	0	283.328	1.015	1	6	7	Cc1noc(CCC(=O)NC[C@H](C)C(=O)OC(C)C)n1
365650924	ZINC000173010362	ref	9.11	-51.61	1	288.391	1.771	0	3	2	CCN1CCN(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)CC1
365650934	ZINC000173010362	mid	9.11	-51.61	1	288.391	1.771	1	2	2	CC[NH+]1CCN(C(=O)[C@H]2Cc3cc(C)c(C)cc3O2)CC1
365650939	ZINC000173011831	ref	7.23	-13.46	0	294.399	1.812	0	4	8	CCCN(CCC)C(=O)CCC(=O)N(C)c1cnn(C)c1
365650948	ZINC000173002369	ref	6.47	-14.16	0	278.352	1.718	1	4	7	CC(C)OC(=O)[C@@H](C)CNC(=O)CCc1ccncc1
365650955	ZINC000173007555	ref	3.88	-9.97	0	294.42	1.905	2	2	6	O=S(=O)(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1CC1
365650965	ZINC000173007555	mid	3.88	-9.97	0	294.42	1.905	1	3	6	O=S(=O)(N[C@H](CN1CCCC1)c1ccccc1)C1CC1
365650970	ZINC000173006687	ref	8.73	-12.63	0	258.325	1.855	1	4	5	CC[C@@H](C)NC(=O)c1ccccc1Cn1cncn1
365650977	ZINC000173008489	ref	3.8	-8.92	0	293.367	1.726	2	3	4	C[C@H]1CCCN(C(=O)CNC(=O)NCc2ccco2)[C@@H]1C
365650985	ZINC000173007542	ref	2.98	-10.6	0	282.409	1.763	2	2	6	CCS(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1
365650992	ZINC000173007542	mid	2.98	-10.6	0	282.409	1.763	1	3	6	CCS(=O)(=O)N[C@H](CN1CCCC1)c1ccccc1
365650997	ZINC000173010565	ref	5.18	-14.85	0	261.329	1.648	0	5	2	CN(C(=O)c1cnn(C(C)(C)C)c1)c1cnn(C)c1
365651005	ZINC000173006415	ref	4.66	-8.84	0	264.354	1.916	1	5	5	CC[C@H](C)NC(=O)c1cn(Cc2cccs2)nn1
365651012	ZINC000173009534	ref	3.61	-14.21	0	291.419	1.308	0	5	2	CS(=O)(=O)[C@@H]1CSCCN1C(=O)c1ccsc1
365651022	ZINC000173007533	ref	7.01	-41.66	1	270.323	1.965	2	1	7	CC[NH+](CC)CCNC(=O)Cc1cc(F)ccc1F
365651029	ZINC000173008858	ref	5.23	-14.16	0	299.417	1.555	0	4	2	Cc1cccc(C(=O)N2CCSC[C@@H]2S(C)(=O)=O)c1
365651035	ZINC000173001270	ref	2.29	-15.23	0	255.295	1.3	1	4	3	CCS(=O)(=O)Oc1ccc2c(c1)CCC(=O)N2
192340803	ZINC000421451567	ref	8.19	-8.19	0	245.313	2.926	0	1	5	CCCN(CC(F)F)C(=O)[C@@H]1CC[C@H]2C[C@H]2C1
365651039	ZINC000173007888	ref	4.71	-15.14	0	291.376	1.513	1	4	6	O=S(=O)(NCc1ccc(Cn2cccn2)cc1)C1CC1
230745293	ZINC000414377474	ref	6.44	-51.61	1	315.504	3.458	1	3	7	CC(C)CC1(C[NH2+]Cc2ccc(S(C)(=O)=O)s2)CCC1
365651053	ZINC000565458041	ref	1.74	-6.61	0	267.285	1.127	2	5	5	CC(C)[C@](C)(CO)NC(=O)c1ccc([N+](=O)[O-])cn1
365651066	ZINC000173012334	ref	2.47	-19.14	0	286.335	1.094	2	4	5	Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCC(N)=O
398250053	ZINC000095483757	ref	2.34	-45.8	-1	212.604	2.199	0	2	1	O=[S@]([O-])c1cc(F)c(Cl)cc1F
214201965	ZINC000293803630	ref	1.61	-21.83	0	374.484	0.93	1	5	7	CO[C@@H](CNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1)C1CC1
214201975	ZINC000293802988	ref	2.31	-17.18	0	369.468	0.837	1	5	3	CN(C(=O)c1ccc2c(c1)SCC(=O)N2)[C@@H]1CCN(S(C)(=O)=O)C1
214201978	ZINC000293804611	ref	2.49	-12.83	0	356.426	0.925	3	3	1	C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
214201981	ZINC000293804611	mid	4.54	-43.54	1	356.426	0.925	3	3	1	C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
214201984	ZINC000293804611	high	2.49	-12.83	0	356.426	0.925	2	4	1	CN1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)NC(=O)CNC3=O)C1
214201986	ZINC000293794134	ref	5.54	-8.74	0	360.414	0.569	1	7	6	COCC1(CCNC(=O)c2ccc3c(=O)n(C)c(=O)n(C)c3n2)CCC1
214201991	ZINC000293794663	ref	2.47	-22.0	0	351.432	0.681	1	5	3	Cc1cc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)c2c(C)[nH]nc2n1
214201994	ZINC000293801214	ref	3.14	-19.83	0	352.394	0.754	2	5	3	O=C1CN(c2ccnc(C(=O)N3C[C@H](CO)c4ccccc43)c2)CCN1
214201997	ZINC000293801782	ref	3.83	-17.28	0	351.407	0.517	0	7	3	CC(C)(C)OC(=O)N1CC2(CN(C(=O)CCn3ccnn3)CCO2)C1
214202002	ZINC000293800967	ref	4.03	-17.33	0	363.342	0.979	0	5	4	CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@@H]1CCN(S(C)(=O)=O)C1
214202005	ZINC000293803741	ref	5.72	-15.85	0	371.437	0.913	1	4	3	CC[N@@H+]1CC[C@H]2OCCN(C(=O)CN3C(=O)c4ccc(C)cc4C3=O)[C@H]2C1
214202010	ZINC000293803741	mid	7.98	-41.65	1	371.437	0.913	1	4	3	CC[N@H+]1CC[C@H]2OCCN(C(=O)CN3C(=O)c4ccc(C)cc4C3=O)[C@H]2C1
214202012	ZINC000293803741	high	5.72	-15.85	0	371.437	0.913	0	5	3	CCN1CC[C@H]2OCCN(C(=O)CN3C(=O)c4ccc(C)cc4C3=O)[C@H]2C1
214202014	ZINC000293797867	ref	2.18	-11.11	0	355.431	0.783	2	7	12	COCCc1ccc(OC[C@@H](O)CN[C@@](C)(COC)C(=O)OC)cc1
214202020	ZINC000293798945	ref	3.47	-20.11	0	353.444	0.775	0	4	4	CC(=O)N(C)c1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1
214202025	ZINC000293804104	ref	3.53	-21.33	0	360.414	0.77	1	6	2	CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)[C@H]2C1
214202029	ZINC000293804104	mid	5.79	-49.48	1	360.414	0.77	1	6	2	CC[N@H+]1CC[C@H]2OCCN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)[C@H]2C1
168365727	ZINC000368502504	ref	9.56	-48.4	1	333.472	3.311	1	3	6	COc1cc2c(cc1OC)CC[NH+](CCCC1CCOCC1)CC2
365650914	ZINC000336563248	ref	3.98	-16.45	0	291.351	2.064	2	3	3	Cc1ccc(NC(=O)N(C)C)cc1NC(=O)C1(C)COC1
365650922	ZINC000336563593	ref	7.98	-11.29	0	297.358	2.47	0	4	3	O=C(c1ccc(OC2CCC2)cc1)N1CCn2ccnc2C1
365650925	ZINC000336563593	low	8.44	-39.15	1	297.358	2.47	0	3	3	O=C(c1ccc(OC2CCC2)cc1)N1CCn2cc[nH+]c2C1
365650933	ZINC000336563288	ref	3.61	-9.2	0	298.412	2.178	1	5	2	COc1nn(C)cc1NC(=O)N1CCSC(C)(C)CC1
230745258	ZINC000425616529	ref	2.21	-19.44	0	324.324	2.05	2	3	6	CS(=O)(=O)CCCCNC(=O)Nc1ccc(F)c(F)c1F
306234772	ZINC000557929928	ref	2.2	-14.16	0	343.141	1.296	3	5	5	CCc1n[nH]c(C(=O)NCc2n[nH]cc2Br)c1[N+](=O)[O-]
365650940	ZINC000336563612	ref	4.68	-7.7	0	273.323	2.353	1	2	2	O=C(C1=CCCCCC1)N1CCC(F)(F)[C@@H](CO)C1
365650945	ZINC000336563169	ref	6.16	-11.83	0	295.293	2.318	1	4	3	C[C@@H](c1cc(F)ccc1F)N(C)C(=O)Nc1cn(C)nn1
306234773	ZINC000557934988	ref	4.72	-10.65	0	333.436	1.162	2	5	6	CC(=O)N[C@@H](C(=O)NCc1cc(C)nc(N2CCCC2)n1)C(C)C
365650951	ZINC000336563155	ref	7.47	-12.63	0	259.353	2.237	0	3	2	O=C([C@H]1CC12CCCC2)N1CC[C@H](n2cccn2)C1
365654365	ZINC000617489674	ref	-2.24	-14.73	0	291.311	0.56	2	6	5	CC(C)c1nn(C)cc1C(=O)NCc1nc(C(N)=O)co1
230745281	ZINC000425622183	ref	7.87	-12.2	0	301.346	2.48	0	5	3	COc1ccnc(N(C)C(=O)c2noc3c2C[C@H](C)CC3)c1
349536162	ZINC000621246981	mid	8.1	-31.78	0	293.392	2.35	1	5	7	CCCc1ccc(C[NH2+][C@@H](C(=O)[O-])c2cnn(C)c2)s1
432002792	ZINC000062245035	mid	9.25	-41.61	1	318.461	3.002	2	2	9	CC[N@H+]1CC[C@H](CNC(=O)CCCCOc2cccc(C)c2)C1
365654370	ZINC000617489248	ref	-4.28	-11.98	0	263.257	0.043	3	5	4	Cc1[nH]nc(C(=O)NCc2nc(C(N)=O)co2)c1C
365654374	ZINC000617489248	mid	-4.23	-11.51	0	263.257	0.043	3	5	4	Cc1n[nH]c(C(=O)NCc2nc(C(N)=O)co2)c1C
365654377	ZINC000617489380	ref	-1.17	-37.28	1	282.344	0.51	3	4	8	CC[C@@H](C(=O)NCc1nc(C(N)=O)co1)[NH+](CC)CC
365654381	ZINC000617489380	high	-3.18	-10.39	0	282.344	0.51	2	5	8	CC[C@@H](C(=O)NCc1nc(C(N)=O)co1)N(CC)CC
365654384	ZINC000617493137	ref	2.7	-13.19	0	274.32	0.627	2	3	3	C=C[C@](C)(O)C(=O)N[C@@H]1Cc2ccccc2N(C)C1=O
365654388	ZINC000617493059	ref	3.84	-24.44	0	299.334	0.061	1	5	3	CN1C(=O)[C@H](NC(=O)Cc2cnnn2C)Cc2ccccc21
365654391	ZINC000617490459	ref	-1.57	-10.12	0	251.286	0.97	2	4	5	NC(=O)c1coc(CNC(=O)CC2CCCC2)n1
398254286	ZINC000381603459	mid	5.41	-100.81	2	212.337	0.954	2	1	5	CCOC[C@H]1CC[N@@H+](C[C@@H]2CC[NH2+]C2)C1
349536164	ZINC000594973266	ref	9.16	-33.62	1	261.365	2.591	1	2	5	COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1
214201973	ZINC000278510627	ref	8.06	-13.77	0	324.359	2.623	1	4	4	N#Cc1cc(C(=O)NCc2ccnc(N3CCCC3)c2)ccc1F
214201974	ZINC000278510627	low	8.5	-44.49	1	324.359	2.623	1	3	4	N#Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)ccc1F
214201977	ZINC000278509817	ref	1.31	-43.62	1	311.378	1.344	2	5	8	COc1ccc(C[NH2+][C@]2(CCO)CCOC2)c(OC)c1OC
210255992	ZINC000428328087	ref	5.9	-12.72	0	334.372	0.979	1	5	5	COC(=O)[C@@]1(C)CCCN1C(=O)CNC(=O)c1ccc(OC)cc1
214201980	ZINC000278509817	mid	0.42	-8.9	0	311.378	1.344	2	6	8	COc1ccc(CN[C@]2(CCO)CCOC2)c(OC)c1OC
342090468	ZINC000609091818	mid	6.78	-41.55	1	257.337	1.636	2	2	4	C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCc2ccccc21
342090469	ZINC000609091818	mid	5.2	-8.45	0	257.337	1.636	1	3	4	CN(CC(=O)NCC#N)[C@@H]1CCCc2ccccc21
214201982	ZINC000278510969	ref	4.0	-11.36	0	319.401	2.091	2	4	6	COc1ccc(C(=O)NCC2(CO)CCOCC2)cc1C1CC1
214201987	ZINC000278511388	ref	6.68	-13.13	0	304.39	2.589	1	3	5	CCN1C[C@@H](C(=O)Nc2ccc(C)c(OC(C)C)c2)CC1=O
168365729	ZINC000368506369	ref	10.09	-43.92	1	331.456	3.08	1	3	5	COC(=O)C(C)(C)CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21
342090470	ZINC000609094896	ref	4.11	-7.57	0	287.363	1.678	1	4	5	COC[C@@H](C)NC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1
210255954	ZINC000019524057	ref	8.95	-14.29	0	392.463	4.129	1	7	5	CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)nc(C(C)C)n4C)no2)c1C
197611114	ZINC000290145974	ref	7.5	-10.16	0	295.382	2.64	2	2	4	C[C@H](NC(=O)C1Cc2ccccc2C1)[C@@H](O)c1ccccc1
342090471	ZINC000046893756	ref	7.14	-15.44	0	292.379	1.83	1	3	9	CCN(CC)C(=O)CCCNC(=O)COc1ccccc1
342090472	ZINC000121945948	ref	6.14	-36.84	1	283.412	1.665	2	3	10	O[C@H](COC[C@@H]1CCCO1)C[NH+](CC1CC1)CC1CC1
342090473	ZINC000621369015	ref	2.63	-42.36	1	265.357	1.316	1	4	6	COC[C@@H]([NH2+]Cc1nccnc1C)C1CCOCC1
342090474	ZINC000621369015	high	1.63	-6.36	0	265.357	1.316	1	5	6	COC[C@@H](NCc1nccnc1C)C1CCOCC1
342090475	ZINC000146409748	ref	2.81	-46.77	-1	284.337	1.391	1	5	4	O=C([O-])c1cncc(S(=O)(=O)NC2CCCCC2)c1
342090476	ZINC000618613251	ref	4.11	-14.83	0	271.263	1.932	2	3	5	C[C@@]1(CNC(=O)COc2ccccc2O)CC1(F)F
342090477	ZINC000618613256	ref	3.35	-10.13	0	288.319	1.639	2	3	5	C[C@]1(CNC(=O)CNC(=O)c2cccs2)CC1(F)F
230745253	ZINC000450495881	mid	6.26	-10.44	0	319.449	1.887	0	4	5	C[C@@H]1C[C@]1(C#N)C(=O)N1CCC(CCCN2CCOCC2)CC1
230745257	ZINC000450495731	ref	5.62	-11.18	0	305.338	1.202	0	7	6	CCOc1cc(C(=O)N(C)Cc2cnc(N(C)C)nc2)on1
282123834	ZINC000533475182	ref	5.36	-21.93	0	296.411	1.397	1	3	4	CCCC(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]([C@@H](C)O)C1
214201979	ZINC000337658984	ref	8.47	-9.84	0	285.334	3.237	0	2	6	CC(C)CN(C(=O)COc1cc(F)cc(F)c1)C(C)C
342090478	ZINC000609093725	ref	7.52	-15.53	0	293.33	1.956	1	5	3	N#Cc1ccc(N2CCC[C@H]2C(=O)Nc2ncccn2)cc1
342090479	ZINC000046888212	ref	3.84	-7.47	0	280.343	1.585	1	3	4	Cc1ccc(C(=O)N[C@@H](C)CN2CCOCC2)cc1F
342090480	ZINC000046888212	low	6.28	-43.25	1	280.343	1.585	2	2	4	Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCOCC2)cc1F
214201983	ZINC000337660516	ref	3.1	-10.71	0	293.363	2.434	2	4	3	CO[C@@]1(C(=O)Nc2ccc(C(C)(C)C)cc2O)CCOC1
342090481	ZINC000121985332	ref	5.38	-13.73	0	260.337	1.949	1	3	4	CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccncc2)C1(C)C
342090482	ZINC000616319265	ref	4.29	-11.79	0	289.375	1.992	1	3	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1ccc2c(c1)CCOC2
282123841	ZINC000533475174	ref	2.82	-13.14	0	285.347	1.863	1	4	2	C[C@@H](O)[C@@H]1CCCN(C(=O)c2ccc3nccnc3c2)C1
342090483	ZINC000621369690	ref	3.42	-47.16	1	280.368	1.621	1	4	8	CCOc1cncc(C[NH2+]C[C@H](OC)[C@H]2CCOC2)c1
342090484	ZINC000621369690	high	2.05	-6.0	0	280.368	1.621	1	5	8	CCOc1cncc(CNC[C@H](OC)[C@H]2CCOC2)c1
342090485	ZINC000616319330	ref	0.89	-14.65	0	252.245	1.051	2	3	4	CCOc1ccc(NC(=O)[C@H]2CC(=O)N2)c(F)c1
432002794	ZINC000103076333	mid	9.65	-38.93	1	320.452	3.34	2	1	5	CC(C)[N@H+]1CCC[C@H](CNC(=O)C(C)(C)c2ccc(F)cc2)C1
214201985	ZINC000337660516	high	3.86	-44.93	-1	293.363	2.434	1	4	3	CO[C@@]1(C(=O)Nc2ccc(C(C)(C)C)cc2[O-])CCOC1
342090486	ZINC000609091318	ref	4.71	-11.86	0	275.308	1.634	2	4	4	CC[C@@](C)(NC(=O)c1ccc2n[nH]cc2c1)C(=O)OC
342090487	ZINC000046896402	ref	5.16	-16.43	0	280.372	1.209	1	4	8	CCN(CC)C(=O)CCCNC(=O)[C@H](C)n1cccn1
342090488	ZINC000046894132	ref	6.14	-11.0	0	254.374	1.941	1	2	7	CCN(CC)C(=O)CCCNC(=O)C1CCCC1
361824069	ZINC000629975019	mid	0.58	-6.61	0	228.336	0.604	2	3	6	CC(C)[C@H](O)CNC(=O)CN(C)C1CCC1
361824073	ZINC000629974760	ref	0.98	-12.05	0	237.303	0.762	3	3	4	O=C(CCc1cn[nH]c1)N[C@@H]1CCCC[C@H]1O
361824075	ZINC000629974762	ref	0.98	-11.78	0	237.303	0.762	3	3	4	O=C(CCc1cn[nH]c1)N[C@H]1CCCC[C@@H]1O
342603354	ZINC000590881614	high	5.66	-10.65	0	272.348	1.741	1	3	4	C[C@@H]1[C@H](O)CCN1C(=O)C(C#N)CCc1ccccc1
342603355	ZINC000590880094	ref	4.82	-8.7	0	283.368	1.339	1	4	3	CCOC(=O)C1(C(=O)N2CC[C@H](O)CC(C)(C)C2)CC1
214201988	ZINC000337659107	ref	5.95	-19.6	0	295.342	2.137	3	2	4	Cc1cc(=O)c(C(=O)NCCc2cccc3[nH]ccc23)c[nH]1
342603356	ZINC000590880866	ref	2.72	-9.73	0	255.321	1.706	2	3	5	Cc1ncccc1CN[C@@H](C(N)=O)c1ccccc1
342603357	ZINC000590880866	low	3.84	-42.77	1	255.321	1.706	2	2	5	Cc1ncccc1C[NH2+][C@@H](C(N)=O)c1ccccc1
197611123	ZINC000163101514	ref	5.38	-10.79	0	321.446	1.864	1	4	3	CC(=O)NCC(=O)N1CCC[C@H](c2nc3c(s2)CCCC3)C1
342603358	ZINC000590880919	ref	4.88	-14.78	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@H](C)NC(=O)c1cccc([S@](C)=O)c1
342603359	ZINC000590880093	ref	4.79	-9.95	0	283.368	1.339	1	4	3	CCOC(=O)C1(C(=O)N2CC[C@@H](O)CC(C)(C)C2)CC1
365650923	ZINC000623091033	ref	4.38	-42.7	1	310.829	1.583	2	4	7	CN(CC[N@H+](C)CCO)Cc1nc2cc(Cl)ccc2n1C
214201990	ZINC000337659209	ref	7.77	-7.49	0	285.391	2.244	2	3	7	O=C(NC(C1CC1)C1CC1)c1ccc(NCC2CC2)nc1
214201995	ZINC000337657762	ref	6.03	-15.33	0	290.388	3.041	0	4	4	Cc1nc(COc2cccc(C(=O)N(C)C)c2)c(C)s1
214201998	ZINC000337660249	ref	6.45	-16.14	0	294.403	0.911	2	5	3	CNC(=O)N[C@@H]1CCN(c2nnc(CC(C)(C)C)n2C)C1
214202001	ZINC000337660397	ref	2.98	-9.55	0	275.352	0.981	1	4	2	O=C([C@H]1CCCOC1)N1CCN[C@@H](c2ccncc2)C1
214202003	ZINC000337660397	low	4.11	-56.98	1	275.352	0.981	1	3	2	O=C([C@H]1CCCOC1)N1CC[NH2+][C@@H](c2ccncc2)C1
214202006	ZINC000337657950	ref	-0.61	-12.66	0	265.36	0.263	1	6	6	CCN(CCOC)c1ncc(S(N)(=O)=O)s1
214202008	ZINC000337660623	ref	10.86	-9.18	0	294.38	3.321	0	6	3	CCC1(C)CCN(c2nc3sccn3c2[N+](=O)[O-])CC1
342603360	ZINC000590881017	ref	4.89	-15.21	0	264.281	1.119	1	4	3	C[C@@H]1[C@H](O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1
342603361	ZINC000590880876	ref	3.11	-11.05	0	274.32	1.807	2	4	5	CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cc(O)cc(C#N)c1
342603362	ZINC000590880876	mid	3.87	-35.73	-1	274.32	1.807	1	4	5	CO[C@@H](C1CC1)[C@@H](C)NC(=O)c1cc([O-])cc(C#N)c1
342603363	ZINC000590880354	ref	3.2	-26.0	0	281.377	1.579	1	3	3	C[S@](=O)c1cccc(C(=O)N[C@H]2COCC2(C)C)c1
349536165	ZINC000621501023	ref	6.71	-8.36	0	272.339	3.052	2	1	4	O=C(N[C@@H](C(F)F)C1CCCCC1)N[C@@H]1CC12CC2
365650928	ZINC000623091033	mid	4.37	-43.32	1	310.829	1.583	2	4	7	CN(CC[N@@H+](C)CCO)Cc1nc2cc(Cl)ccc2n1C
222609704	ZINC000291778100	ref	4.72	-11.77	0	306.406	2.266	2	3	7	CC[C@@H](NC(=O)[C@H](C)Oc1ccc(C(C)C)c(C)c1)C(N)=O
365650931	ZINC000623091033	high	1.78	-10.73	0	310.829	1.583	1	5	7	CN(CCO)CCN(C)Cc1nc2cc(Cl)ccc2n1C
365650936	ZINC000623090603	ref	4.11	-36.21	1	319.218	1.944	2	2	7	CN(CC[N@H+](C)CCO)Cc1cc(F)cc(Br)c1
365650942	ZINC000623090603	mid	4.1	-36.1	1	319.218	1.944	2	2	7	CN(CC[N@@H+](C)CCO)Cc1cc(F)cc(Br)c1
365650947	ZINC000623090603	high	1.73	-4.09	0	319.218	1.944	1	3	7	CN(CCO)CCN(C)Cc1cc(F)cc(Br)c1
178326236	ZINC000000403118	ref	9.31	-54.94	-1	212.248	3.36	0	2	2	Cc1ccc(-c2ccccc2C(=O)[O-])cc1
210255959	ZINC000019524057	low	9.54	-32.21	1	392.463	4.129	1	6	5	CCn1ncc(-c2cc(C(=O)Nc3ccc4c(c3)[nH+]c(C(C)C)n4C)no2)c1C
210255963	ZINC000019524351	ref	8.59	-16.16	0	396.491	2.484	1	5	5	CCn1c(CNC(=O)CN2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)nc2ccccc21
222609708	ZINC000291778479	ref	7.64	-8.95	0	306.381	3.022	1	2	3	C[C@H]1CN(C(=O)NCc2ccc(C3CC3)cc2F)C[C@@H](C)O1
342603364	ZINC000590880904	ref	4.66	-9.38	0	259.309	1.497	1	4	5	CO[C@@H](C1CC1)[C@H](C)NC(=O)c1cccc(C#N)n1
178326242	ZINC000084689038	ref	6.97	-7.51	0	236.278	2.842	1	3	2	Cc1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1
365650950	ZINC000623091206	ref	3.11	-33.6	1	307.257	1.866	2	3	7	CN(CC[N@H+](C)CCO)Cc1sccc1Br
178326249	ZINC000084689038	high	6.97	-43.22	-1	236.278	2.842	0	3	2	Cc1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1
178326252	ZINC000084689038	high	6.98	-43.22	-1	236.278	2.842	0	3	2	Cc1ccc(-c2cccc(-c3nn[n-]n3)c2)cc1
230745295	ZINC000450493983	ref	4.28	-15.11	0	300.38	1.846	1	4	3	CS(=O)(=O)C1(CN=c2[nH]c3cccc(F)c3s2)CC1
342603365	ZINC000590880286	ref	4.71	-13.23	0	271.357	1.507	1	4	5	COC(=O)CC(C)(C)CC(=O)N[C@@H]1COCC1(C)C
178326257	ZINC000002570854	ref	7.32	-7.22	0	236.278	2.842	1	3	2	Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
342603366	ZINC000589821521	ref	7.05	-65.28	1	289.383	1.363	1	4	6	Cc1cc(N2CC[C@H]([NH2+]C[C@@H](C)CCC#N)C2=O)n(C)n1
178326263	ZINC000002570854	high	7.32	-43.37	-1	236.278	2.842	0	3	2	Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1
365650957	ZINC000623091206	mid	3.09	-33.0	1	307.257	1.866	2	3	7	CN(CC[N@@H+](C)CCO)Cc1sccc1Br
349536167	ZINC000621244804	ref	4.74	-12.98	0	273.336	2.008	2	3	5	COc1ccccc1CCNC(=O)c1[nH]c(C)nc1C
365650960	ZINC000623091206	high	0.53	-3.88	0	307.257	1.866	1	4	7	CN(CCO)CCN(C)Cc1sccc1Br
342090489	ZINC000609094897	ref	4.89	-10.75	0	287.363	1.678	1	4	5	COC[C@@H](C)NC(=O)[C@H]1CCCN1c1ccc(C#N)cc1
349536168	ZINC000621498606	ref	9.44	-11.63	0	296.361	3.306	1	1	7	CN(CCCc1ccccc1)C(=O)NCC[C@H]1CC1(F)F
282123837	ZINC000449156652	ref	4.31	-12.79	0	292.383	2.239	1	6	8	CCc1ccc([C@@H](COC)NCc2c(C)nnn2CC)o1
282123840	ZINC000449156652	low	5.54	-52.06	1	292.383	2.239	1	5	8	CCc1ccc([C@@H](COC)[NH2+]Cc2c(C)nnn2CC)o1
214201996	ZINC000278510504	ref	3.26	-14.4	0	316.357	1.157	3	4	6	C=C[C@](C)(O)CC(=O)Nc1ccc(C[C@H]2CC(=O)NC2=O)cc1
282123845	ZINC000449156592	ref	7.55	-9.96	0	270.376	2.456	1	2	2	O=C(Cc1ccc2c(c1)NCC2)N1C[C@H]2CCC[C@@H]2C1
197611130	ZINC000290144924	ref	8.51	-8.65	0	291.391	3.458	0	3	3	Cc1ccc([C@@H]2COCCN2C(=O)CC2(C)CCCC2)o1
197617136	ZINC000290166805	ref	7.51	-47.25	1	290.342	2.111	2	2	2	C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)C[C@@H]1[NH+](C)C
282123850	ZINC000449156242	ref	7.42	-38.37	1	259.39	2.369	1	3	8	COC(=O)COC[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C
282123852	ZINC000449157170	ref	0.68	-10.78	0	287.363	2.089	2	5	8	COc1nccc(CN[C@H](CCCO)c2ccccc2)n1
282123860	ZINC000449157170	mid	1.68	-44.69	1	287.363	2.089	2	4	8	COc1nccc(C[NH2+][C@H](CCCO)c2ccccc2)n1
342090490	ZINC000609091636	ref	6.54	-12.11	0	289.397	1.168	0	5	8	CCN(C[C@@H]1CCOC1)C(=O)CCSCC(=O)OC
342090491	ZINC000616319130	ref	3.28	-12.67	0	287.4	1.439	1	4	9	CCOCCOCCCC(=O)N1CCC[C@H](CO)[C@H]1C
342090492	ZINC000609091716	ref	4.85	-9.4	0	296.327	1.379	1	5	6	CCc1n[nH]c(C(=O)N(CC)C[C@@H]2CCOC2)c1[N+](=O)[O-]
342090493	ZINC000609091716	mid	5.59	-15.76	0	296.327	1.379	1	5	6	CCc1[nH]nc(C(=O)N(CC)C[C@@H]2CCOC2)c1[N+](=O)[O-]
342090494	ZINC000616319270	ref	3.58	-9.87	0	298.427	1.659	1	4	5	CCON1CCC(CC(=O)N2CCC[C@@H](CO)[C@@H]2C)CC1
342090495	ZINC000609090431	ref	6.95	-15.26	0	289.291	1.617	2	5	5	CCOC(=O)CCC(=O)Nc1nc2ccccc2c(=O)[nH]1
342090496	ZINC000616319259	ref	3.82	-14.92	0	291.326	1.935	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc2nc[nH]c2cc1F
342090497	ZINC000616319259	mid	3.84	-18.31	0	291.326	1.935	2	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1cc2[nH]cnc2cc1F
342090498	ZINC000616319181	ref	2.25	-11.02	0	266.272	1.299	2	3	4	CCOc1ccc(NC(=O)[C@H]2CCNC2=O)c(F)c1
342090499	ZINC000616319135	ref	3.54	-10.02	0	265.357	1.526	1	4	4	CCCn1nccc1C(=O)N1CCC[C@@H](CO)[C@H]1C
342090500	ZINC000121980681	ref	5.22	-45.14	1	267.373	1.804	2	3	8	CCc1noc(CC)c1CNC(=O)CC[NH2+]C(C)C
214201999	ZINC000278509732	ref	5.48	-9.59	0	323.462	3.025	1	5	4	CC1(C)CC[C@H](C(=O)Nc2nc(CN3CCCCC3)cs2)O1
214202000	ZINC000278509732	low	8.22	-39.42	1	323.462	3.025	2	4	4	CC1(C)CC[C@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)O1
214202004	ZINC000278510947	ref	8.91	-45.24	1	322.815	2.971	1	3	4	Cn1nccc1N1CCC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1
214202007	ZINC000278510947	high	7.71	-5.41	0	322.815	2.971	1	4	4	Cn1nccc1N1CCC[C@H](NCc2cc(Cl)ccc2F)C1
178326237	ZINC000237717641	ref	6.04	-44.05	1	369.387	1.824	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1)[C@@H]1CCC[NH2+]1
178326240	ZINC000237716892	ref	8.28	-55.82	1	365.474	1.595	1	3	3	O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2ccc(F)cc2)CC1
230745296	ZINC000414377474	high	5.42	-9.66	0	315.504	3.458	1	4	7	CC(C)CC1(CNCc2ccc(S(C)(=O)=O)s2)CCC1
342090501	ZINC000046896399	ref	5.17	-16.48	0	280.372	1.209	1	4	8	CCN(CC)C(=O)CCCNC(=O)[C@@H](C)n1cccn1
214202013	ZINC000278510435	ref	7.26	-21.13	0	313.85	2.642	0	2	5	CC[S@](=O)CC(=O)N1CCC[C@@H]1Cc1ccccc1Cl
214202016	ZINC000278509886	ref	4.62	-41.22	1	316.445	2.152	2	3	6	OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC=CO1
230745299	ZINC000414377515	ref	6.79	-12.01	0	309.435	3.084	1	4	3	CCc1nc(N2C(=O)N[C@@H](C(C)C)C2=O)sc1C(C)(C)C
365650932	ZINC000274398154	ref	3.91	-56.06	1	276.315	1.397	2	3	4	Cc1c(C(=O)N[C@H](C)C[NH3+])cnn1-c1ccccc1F
178326243	ZINC000237716892	high	7.05	-16.59	0	365.474	1.595	1	4	3	O=C(C[C@@H]1CSCCN1)N1CCCN(C(=O)c2ccc(F)cc2)CC1
214202017	ZINC000278509886	mid	7.04	-115.25	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC=CO1
214202019	ZINC000278509886	mid	6.93	-109.94	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCC=CO1
214202022	ZINC000278511323	ref	9.27	-42.98	1	309.475	3.254	1	3	9	COCCSCCC[N@@H+]1CC[C@@H](c2ccc(OC)cc2)C1
214202023	ZINC000278511323	mid	9.32	-42.87	1	309.475	3.254	1	3	9	COCCSCCC[N@H+]1CC[C@@H](c2ccc(OC)cc2)C1
214202027	ZINC000278511725	ref	5.4	-14.15	0	312.435	1.681	0	4	2	Cc1cc(C(=O)N2CCCC[C@@H](S(C)(=O)=O)C2)c(C)n1C
342090502	ZINC000621369523	ref	1.76	-39.78	1	279.384	1.441	2	4	6	CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]Cc2nccnc2C)C1
178326246	ZINC000237708711	ref	10.07	-62.54	-1	353.382	1.414	1	7	6	Cc1cc(C)n2nc(C(=O)NC[C@@H](Cc3ccccc3)C(=O)[O-])nc2n1
398254287	ZINC000381603459	high	2.95	-38.41	1	212.337	0.954	1	2	5	CCOC[C@H]1CCN(C[C@@H]2CC[NH2+]C2)C1
210255972	ZINC000019527068	ref	9.95	-40.25	1	381.52	3.672	2	2	3	CC[NH+]1CCC2(CC1)c1[nH]c3ccc(OC)cc3c1CCN2C(=O)C1CCC1
214202011	ZINC000337660098	ref	9.78	-10.0	0	266.389	2.019	0	5	5	CC[C@H]1CN(c2nnc(CCC(C)C)n2C)CCO1
214202015	ZINC000337660421	ref	6.85	-19.67	0	298.306	0.024	1	7	4	Cc1ccc2ncc(C(=O)NCCn3cncn3)c(=O)n2c1
214202018	ZINC000337657427	ref	7.69	-6.07	0	256.305	3.367	1	3	4	CCc1ccccc1NC(=O)c1cc(C2CC2)no1
214202021	ZINC000337659666	ref	7.45	-15.82	0	273.332	3.314	0	3	5	COc1ccc2occ(C(=O)N(C)CCC3CC3)c2c1
343995691	ZINC000079977030	mid	4.54	-37.57	1	292.408	2.194	2	5	8	CCCC[N@H+](CCO)Cc1csc(-c2ncccn2)n1
342090503	ZINC000621369523	high	0.44	-8.12	0	279.384	1.441	2	5	6	CO[C@@H]1CCC[C@@H]([C@H](CO)NCc2nccnc2C)C1
210255973	ZINC000019527068	high	7.71	-9.28	0	381.52	3.672	1	3	3	CCN1CCC2(CC1)c1[nH]c3ccc(OC)cc3c1CCN2C(=O)C1CCC1
210255978	ZINC000019523856	ref	8.24	-15.28	0	384.524	3.558	1	5	7	CCn1nc(C)c(NC(=O)CN2CCC[C@H](COc3cccc(C)c3)C2)c1C
210255990	ZINC000019523856	low	10.41	-51.65	1	384.524	3.558	2	4	7	CCn1nc(C)c(NC(=O)C[N@@H+]2CCC[C@H](COc3cccc(C)c3)C2)c1C
210255994	ZINC000019523856	low	10.4	-52.04	1	384.524	3.558	2	4	7	CCn1nc(C)c(NC(=O)C[N@H+]2CCC[C@H](COc3cccc(C)c3)C2)c1C
197611138	ZINC000163097801	ref	8.22	-11.43	0	324.392	1.591	1	8	3	Cc1cnn([C@H]2CCCN(c3ncnc(-n4cccn4)c3N)C2)c1
197611140	ZINC000163096866	ref	1.51	-20.88	0	304.325	1.167	4	2	5	NC(=O)NC1(C(=O)NCCc2c[nH]c3cc(F)ccc23)CC1
192340806	ZINC000421451843	ref	6.89	-7.59	0	237.318	3.443	1	1	4	CCCC(C)(C)NC(=O)c1cccc(F)c1C
342090504	ZINC000609091315	ref	4.75	-12.04	0	275.308	1.634	2	4	4	CC[C@](C)(NC(=O)c1ccc2n[nH]cc2c1)C(=O)OC
342090505	ZINC000609091635	ref	6.48	-10.75	0	289.397	1.168	0	5	8	CCN(C[C@H]1CCOC1)C(=O)CCSCC(=O)OC
342090506	ZINC000609093499	ref	6.36	-16.68	0	297.343	1.192	1	7	4	N#Cc1cc(C#N)c(SCCn2ccccc2=O)nc1N
342090507	ZINC000046888214	ref	3.86	-7.22	0	280.343	1.585	1	3	4	Cc1ccc(C(=O)N[C@H](C)CN2CCOCC2)cc1F
342090508	ZINC000046888214	low	6.21	-42.93	1	280.343	1.585	2	2	4	Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCOCC2)cc1F
342090509	ZINC000609091817	ref	6.78	-41.53	1	257.337	1.636	2	2	4	C[N@H+](CC(=O)NCC#N)[C@H]1CCCc2ccccc21
365650937	ZINC000124437038	mid	7.5	-46.4	1	283.759	2.386	2	3	4	C=C(Cl)C[NH+]1CCC(C(=O)Nc2cc(C)on2)CC1
343995692	ZINC000079977030	mid	4.5	-37.02	1	292.408	2.194	2	5	8	CCCC[N@@H+](CCO)Cc1csc(-c2ncccn2)n1
365650943	ZINC000124421816	ref	7.72	-40.98	1	298.39	2.196	1	4	4	COc1cc(N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ncn1
365650954	ZINC000124421816	mid	7.17	-40.82	1	298.39	2.196	1	4	4	COc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ncn1
342090510	ZINC000609091817	mid	6.76	-45.31	1	257.337	1.636	2	2	4	C[N@@H+](CC(=O)NCC#N)[C@H]1CCCc2ccccc21
342090511	ZINC000609091817	mid	5.18	-9.94	0	257.337	1.636	1	3	4	CN(CC(=O)NCC#N)[C@H]1CCCc2ccccc21
342090512	ZINC000616319261	ref	3.87	-15.9	0	291.326	1.935	2	3	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc2nc[nH]c2cc1F
342090513	ZINC000616319261	mid	3.89	-18.51	0	291.326	1.935	2	3	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1cc2[nH]cnc2cc1F
342090514	ZINC000621369689	ref	3.69	-47.31	1	280.368	1.621	1	4	8	CCOc1cncc(C[NH2+]C[C@@H](OC)[C@@H]2CCOC2)c1
342090515	ZINC000621369689	high	2.86	-6.16	0	280.368	1.621	1	5	8	CCOc1cncc(CNC[C@@H](OC)[C@@H]2CCOC2)c1
230745310	ZINC000450495269	ref	5.79	-12.14	0	312.373	1.676	1	5	6	Cc1cc(OCc2ccccc2)nc(N2CC(CC(N)=O)C2)n1
365650959	ZINC000124421816	mid	4.93	-5.13	0	298.39	2.196	0	5	4	COc1cc(N2CCN(Cc3ccccc3)C[C@H]2C)ncn1
342090516	ZINC000609091715	ref	4.98	-11.79	0	296.327	1.379	1	5	6	CCc1n[nH]c(C(=O)N(CC)C[C@H]2CCOC2)c1[N+](=O)[O-]
342090517	ZINC000609091715	mid	5.67	-18.39	0	296.327	1.379	1	5	6	CCc1[nH]nc(C(=O)N(CC)C[C@H]2CCOC2)c1[N+](=O)[O-]
342090518	ZINC000621368055	ref	1.45	-12.96	0	292.379	1.584	2	4	5	COc1ccc(NC(=O)CN2CC[C@H](C)[C@H](CO)C2)cc1
365650963	ZINC000124438150	ref	5.99	-20.65	0	297.42	2.07	0	3	5	C[C@@H](C(=O)N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)c1ccccc1
365650972	ZINC000124384723	ref	7.83	-15.34	0	299.411	2.43	1	4	6	C[C@H]1CCCC[C@H]1OCC(=O)NCCC(=O)OC(C)(C)C
342090519	ZINC000621368055	mid	3.64	-40.34	1	292.379	1.584	3	3	5	COc1ccc(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](CO)C2)cc1
282123843	ZINC000248984005	ref	2.36	-12.5	0	314.426	1.095	2	4	8	CO[C@@H](C)CNC(=O)[C@@H]1CCC[C@@H](C(=O)NC[C@@H](C)OC)C1
282123849	ZINC000248985027	ref	3.46	-15.59	0	313.419	1.859	1	4	6	Cc1cccc(O[C@H](C)CNS(=O)(=O)[C@H]2CCO[C@H]2C)c1
282123853	ZINC000248986563	ref	5.88	-29.73	1	322.449	1.487	3	3	9	CC(C)N(Cc1ccccc1)C(=O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO
342603367	ZINC000589821521	high	5.99	-17.72	0	289.383	1.363	1	5	6	Cc1cc(N2CC[C@H](NC[C@@H](C)CCC#N)C2=O)n(C)n1
342603368	ZINC000590880905	ref	4.59	-8.7	0	259.309	1.497	1	4	5	CO[C@H](C1CC1)[C@H](C)NC(=O)c1cccc(C#N)n1
398250054	ZINC000650876753	high	4.07	-6.62	0	281.4	1.432	1	3	3	CC[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)[C@@H](C)CO1
342603369	ZINC000589821522	ref	7.1	-62.82	1	289.383	1.363	1	4	6	Cc1cc(N2CC[C@@H]([NH2+]C[C@H](C)CCC#N)C2=O)n(C)n1
214202031	ZINC000337660734	ref	-0.7	-9.66	0	274.361	0.5	3	4	7	CC(C)CNC(=O)NCC1(OCCO)CCOCC1
214202034	ZINC000337657717	ref	7.04	-16.01	0	294.399	2.045	1	5	6	CC(=O)CCC(C)(C)C(=O)NCc1ncnn1C(C)(C)C
342603370	ZINC000589821522	high	5.86	-19.97	0	289.383	1.363	1	5	6	Cc1cc(N2CC[C@@H](NC[C@H](C)CCC#N)C2=O)n(C)n1
199273952	ZINC000294966384	high	4.29	-8.83	0	296.798	2.284	2	3	7	CO[C@H](CNC(=O)[C@H](C)NC1CC1)c1ccc(Cl)cc1
398250056	ZINC000650876751	ref	6.69	-41.2	1	281.4	1.432	2	2	3	CC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)[C@H](C)CO1
342603371	ZINC000589822104	ref	0.79	-18.89	0	285.344	1.255	2	4	6	CC[C@H](CC#N)NCc1ccc(F)c(S(N)(=O)=O)c1
214202036	ZINC000337659002	ref	6.26	-10.69	0	281.355	2.439	2	2	4	O=C(NC[C@H](O)C1CC1)c1ccc2c3c(cccc13)CC2
214202039	ZINC000337660639	ref	2.93	-53.58	-1	274.346	0.973	1	5	6	CCCC[C@@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1
214202041	ZINC000337660639	mid	2.93	-53.55	-1	274.346	0.973	1	5	6	CCCC[C@@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1
214202043	ZINC000337660639	mid	3.03	-52.58	-1	274.346	0.973	1	5	6	CCCC[C@@H](C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1
214202045	ZINC000337658766	ref	0.81	-7.31	0	256.346	0.873	3	3	8	COC[C@@H](CCO)NC(=O)NCC1(C2CC2)CC1
342603372	ZINC000589822104	low	1.85	-63.95	1	285.344	1.255	2	3	6	CC[C@H](CC#N)[NH2+]Cc1ccc(F)c(S(N)(=O)=O)c1
342603373	ZINC000590880111	ref	3.22	-22.64	0	281.377	1.579	1	3	3	C[S@@](=O)c1ccc(C(=O)N[C@@H]2COCC2(C)C)cc1
398250058	ZINC000650876751	mid	6.56	-40.9	1	281.4	1.432	2	2	3	CC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)[C@H](C)CO1
214202047	ZINC000337657741	ref	-0.6	-20.43	0	276.358	-0.101	2	4	5	CS(=O)(=O)CC1(CNC(=O)N[C@@H]2CCOC2)CC1
214202050	ZINC000337660884	ref	3.14	-7.65	0	271.401	2.106	2	3	7	CCOC[C@H](O)CNC(=O)CC1CCC(C)(C)CC1
178326250	ZINC000237723097	ref	3.66	-57.03	1	369.462	1.34	2	3	5	O=C(c1ccc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)cc1F)N1CCCC1
342603374	ZINC000590881608	ref	5.33	-9.38	0	296.298	1.819	1	4	3	C[C@@H](C(=O)N1CC[C@@H](O)[C@H]1C)c1ccc([N+](=O)[O-])cc1F
342603375	ZINC000590880892	ref	6.73	-6.54	0	285.384	1.895	1	4	8	CCOC(=O)C(C)(C)CC(=O)N[C@@H](C)[C@H](OC)C1CC1
214202032	ZINC000293804104	mid	3.53	-21.33	0	360.414	0.77	0	7	2	CCN1CC[C@H]2OCCN(C(=O)c3c(C)oc4ncn(C)c(=O)c34)[C@H]2C1
342603376	ZINC000590880217	ref	1.74	-9.45	0	293.279	1.332	1	7	6	CCCc1ncc(CNC(=O)c2cc(C(=O)OC)no2)o1
214202035	ZINC000293798234	ref	0.81	-13.2	0	372.487	0.812	3	5	9	COCC(C)(C)CNC(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O
214202038	ZINC000293801776	ref	4.35	-15.56	0	358.402	0.46	1	7	4	COCCn1nnc2c1CCN(C(=O)C(=O)Nc1cc(C)cc(C)n1)C2
342603377	ZINC000590880109	ref	3.23	-16.34	0	281.377	1.579	1	3	3	C[S@](=O)c1ccc(C(=O)N[C@@H]2COCC2(C)C)cc1
210256001	ZINC000019522531	ref	8.47	-20.59	0	382.42	1.994	1	6	5	CCc1cc(=O)[nH]c([C@H]2CCCN2C(=O)CCn2c(=O)oc3ccccc32)n1
342603378	ZINC000590880875	ref	3.54	-10.79	0	274.32	1.807	2	4	5	CO[C@H](C1CC1)[C@H](C)NC(=O)c1cc(O)cc(C#N)c1
214202042	ZINC000293798010	ref	3.55	-16.84	0	359.426	0.782	3	4	7	CCNC(=O)[C@@H](NC(=O)c1ccc(C[C@H]2CC(=O)NC2=O)cc1)C(C)C
214202048	ZINC000293801700	ref	3.76	-27.43	0	355.46	0.843	2	4	7	CC(=O)N[C@@H](CC(C)C)C(=O)N(C)Cc1ccccc1S(N)(=O)=O
342603379	ZINC000590880875	mid	4.3	-35.25	-1	274.32	1.807	1	4	5	CO[C@H](C1CC1)[C@H](C)NC(=O)c1cc([O-])cc(C#N)c1
214202052	ZINC000293805082	ref	0.84	-23.85	0	357.407	0.355	2	4	8	CCS(=O)(=O)NCC(=O)N(Cc1ccc(C(N)=O)cc1F)C1CC1
197611153	ZINC000163105917	ref	1.68	-16.46	0	318.402	2.462	3	4	3	NC(=O)[C@H]1CCC[C@@H](NC(=O)Nc2ccc3ncsc3c2)C1
342603380	ZINC000590880575	ref	4.86	-15.19	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@@H](C)NC(=O)c1ccc([S@](C)=O)cc1
342603381	ZINC000590880350	ref	6.05	-13.68	0	291.347	1.557	1	4	4	COC(=O)Cc1cccc(C(=O)N[C@H]2COCC2(C)C)c1
342603382	ZINC000590881022	ref	4.97	-19.7	0	294.307	1.128	1	5	4	COc1ccc(CC(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
197611157	ZINC000163092226	ref	6.65	-11.63	0	323.43	2.868	0	3	7	CSCC[C@H](C)N(C)S(=O)(=O)Cc1c(F)cccc1F
342603383	ZINC000590881015	ref	3.76	-16.66	0	250.254	1.19	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1cccc([N+](=O)[O-])c1
342603384	ZINC000590880577	ref	4.62	-15.34	0	295.404	1.967	1	3	6	CO[C@H](C1CC1)[C@H](C)NC(=O)c1ccc([S@](C)=O)cc1
197611159	ZINC000163095126	ref	5.89	-9.28	0	319.401	3.142	1	4	6	O=C(CC[C@@H]1CCCCO1)Nc1ccccc1O[C@@H]1CCOC1
342603385	ZINC000590881069	ref	4.31	-15.73	0	294.351	1.404	2	4	3	CCOC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](O)[C@H]2C)c1C
398254290	ZINC000381590220	ref	6.36	-102.59	2	246.345	2.481	2	0	3	C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1C[C@@H]1CCCCC1(F)F
342603386	ZINC000590881606	ref	5.13	-13.35	0	278.308	1.68	1	4	3	C[C@H](C(=O)N1CC[C@@H](O)[C@H]1C)c1cccc([N+](=O)[O-])c1
290624471	ZINC000492540561	ref	7.55	-11.12	0	274.364	2.429	0	3	2	Cc1ccc(/C=C\C(=O)N2C[C@H](C)OC(C)(C)C2)nc1
178326254	ZINC000237720982	ref	3.41	-54.81	1	356.426	1.577	2	4	5	Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1
210256010	ZINC000019522531	high	7.05	-55.52	-1	382.42	1.994	0	6	5	CCc1cc(=O)[n-]c([C@H]2CCCN2C(=O)CCn2c(=O)oc3ccccc32)n1
210256015	ZINC000019526306	ref	12.43	-43.65	1	390.531	4.352	2	2	6	CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)c1ccccc1
178326258	ZINC000237723388	ref	3.07	-57.42	1	351.472	1.534	2	3	4	CC(=O)N1c2ccc(S(=O)(=O)NC3(C[NH3+])CCCC3)cc2C[C@@H]1C
178326261	ZINC000237723156	ref	2.76	-58.25	1	355.435	1.092	2	3	4	O=C(c1ccc(S(=O)(=O)N[C@@H]2CCC[NH2+]C2)cc1F)N1CCCC1
342603387	ZINC000590880110	ref	3.23	-16.32	0	281.377	1.579	1	3	3	C[S@](=O)c1ccc(C(=O)N[C@H]2COCC2(C)C)cc1
178326265	ZINC000237719563	ref	6.06	-57.57	1	367.396	1.018	1	3	5	O=C(C[NH2+]C[C@@H]1CCCO1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
178326269	ZINC000237719563	high	4.62	-18.92	0	367.396	1.018	1	4	5	O=C(CNC[C@@H]1CCCO1)N1CCN(C(=O)c2ccc(F)cc2F)CC1
342603388	ZINC000590881008	ref	6.01	-15.83	0	290.388	1.773	1	4	4	C[C@@H]1[C@H](O)CCN1C(=O)CSCc1ccc(C#N)cc1
178326272	ZINC000237707201	ref	6.48	-55.03	1	360.458	1.336	2	4	6	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[NH2+]C[C@@H]3CCCO3)C2)nc1
178326276	ZINC000237707201	high	5.05	-17.04	0	360.458	1.336	2	5	6	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)CNC[C@@H]3CCCO3)C2)nc1
192340810	ZINC000421452296	ref	6.19	-9.97	0	231.286	2.727	1	1	2	C[C@@H]1CC[C@@H](NC(=O)[C@]2(C)CC2(F)F)CC1
342603389	ZINC000590880894	ref	6.7	-4.96	0	285.384	1.895	1	4	8	CCOC(=O)C(C)(C)CC(=O)N[C@H](C)[C@H](OC)C1CC1
214202033	ZINC000278510762	ref	5.73	-18.65	0	300.358	2.155	1	4	4	C[C@H]1COCC[C@@H]1NC(=O)COc1cccc2cccnc12
342603390	ZINC000590881010	ref	4.65	-16.76	0	289.397	1.043	1	5	4	C[C@@H]1[C@H](O)CCN1C(=O)CSCC(=O)OC(C)(C)C
342603391	ZINC000590880112	ref	3.22	-22.61	0	281.377	1.579	1	3	3	C[S@@](=O)c1ccc(C(=O)N[C@H]2COCC2(C)C)cc1
365650938	ZINC000641615677	high	-0.31	-36.35	-1	296.295	1.148	0	5	6	COc1cc(C[N-]S(=O)(=O)C[C@]2(C)CC2(F)F)on1
342603392	ZINC000589821526	ref	7.06	-66.69	1	289.383	1.363	1	4	6	Cc1cc(N2CC[C@H]([NH2+]C[C@H](C)CCC#N)C2=O)n(C)n1
342090520	ZINC000621368055	mid	3.85	-40.93	1	292.379	1.584	3	3	5	COc1ccc(NC(=O)C[N@H+]2CC[C@H](C)[C@H](CO)C2)cc1
342090521	ZINC000076515866	ref	6.01	-38.34	1	279.38	1.914	2	3	9	COc1ccccc1COC[C@H](O)C[N@H+](C)CC1CC1
342090522	ZINC000076515866	mid	6.03	-38.18	1	279.38	1.914	2	3	9	COc1ccccc1COC[C@H](O)C[N@@H+](C)CC1CC1
214202037	ZINC000278510987	ref	5.3	-15.95	0	319.327	2.417	1	3	4	COC[C@@H](C)C(=O)N1CCC[C@@H](c2nc(C(F)(F)F)c[nH]2)C1
214202040	ZINC000278510987	mid	5.22	-11.17	0	319.327	2.417	1	3	4	COC[C@@H](C)C(=O)N1CCC[C@@H](c2ncc(C(F)(F)F)[nH]2)C1
342090523	ZINC000618613250	ref	4.11	-14.35	0	271.263	1.932	2	3	5	C[C@]1(CNC(=O)COc2ccccc2O)CC1(F)F
342090524	ZINC000621368606	ref	4.46	-46.77	1	274.368	1.419	2	4	3	C[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1CO
365650941	ZINC000274399760	ref	5.51	-10.87	0	299.334	1.117	1	5	2	Cn1cccc1[C@H]1CCCN1C(=O)C(=O)Nc1cncnc1
342090525	ZINC000621368606	mid	3.86	-44.51	1	274.368	1.419	2	4	3	C[C@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1CO
365650949	ZINC000637721775	ref	3.58	-46.61	1	291.395	1.251	4	2	6	Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCCO)C2)cc1
365650958	ZINC000637721775	mid	3.59	-46.5	1	291.395	1.251	4	2	6	Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NCCCO)C2)cc1
365650962	ZINC000637721775	high	1.15	-9.57	0	291.395	1.251	3	3	6	Cc1ccc(CN2CC[C@H](NC(=O)NCCCO)C2)cc1
343995694	ZINC000079963256	ref	5.67	-11.98	0	290.285	2.255	0	3	6	COCCN(Cc1cccnc1)C(=O)[C@@H](C)C(F)(F)F
343995696	ZINC000079981413	ref	7.16	-17.27	0	295.427	2.363	1	2	5	CCN(C(=O)NCCC(=O)N1CCCCC1)C1CCCC1
365650967	ZINC000274399814	ref	5.67	-7.74	0	296.33	1.431	1	4	2	O=C(Nc1cncnc1)C(=O)N1CC[C@H](c2ccccc2)C1
214202044	ZINC000278511462	ref	7.5	-11.76	0	313.361	1.546	1	6	3	Cn1cc(C(=O)C(=O)Nc2ncc3c(n2)CCC(C)(C)C3)cn1
365650975	ZINC000274397943	ref	2.46	-51.8	1	255.387	1.826	2	3	3	Cc1nc(C(C)(C)C)sc1C(=O)N[C@H](C)C[NH3+]
214202046	ZINC000278511785	ref	6.79	-37.72	1	302.462	2.807	1	2	6	C[C@H]([NH2+]CC1(N2CCOCC2)CC1)C(C)(C)c1ccccc1
342090526	ZINC000621368606	high	1.83	-9.75	0	274.368	1.419	1	5	3	C[C@H]1CCN(Cc2ccc3c(c2)nnn3C)C[C@@H]1CO
259310667	ZINC000229578038	ref	5.85	-33.7	1	243.435	3.588	2	1	8	CC[C@H](C)C[C@@H](CC)[NH2+][C@@H](CCO)C(C)(C)C
214202049	ZINC000278510871	ref	3.03	-14.64	0	302.758	2.563	3	4	6	CCOc1ccc(NC(=O)NOCC(C)(C)O)cc1Cl
365650980	ZINC000274400117	ref	7.38	-18.44	0	276.336	1.739	0	4	4	CCOC(=O)[C@H]1CCCN1C(=O)[C@@H](C)c1cccnc1
210256021	ZINC000019526306	mid	10.15	-10.95	0	390.531	4.352	1	3	6	CCN(CC)[C@@H](C(=O)N1CCC[C@@H](c2cc3cccnc3[nH]2)C1)c1ccccc1
342603393	ZINC000589821526	high	5.86	-18.11	0	289.383	1.363	1	5	6	Cc1cc(N2CC[C@H](NC[C@H](C)CCC#N)C2=O)n(C)n1
210256026	ZINC000019526305	ref	9.82	-52.51	1	390.491	3.557	1	6	9	CCN(CC)[C@H](C[NH2+]Cc1cc(-c2ccccc2)cn2nnnc12)c1ccco1
342603394	ZINC000590880893	ref	6.57	-5.3	0	285.384	1.895	1	4	8	CCOC(=O)C(C)(C)CC(=O)N[C@@H](C)[C@@H](OC)C1CC1
197611162	ZINC000163096049	ref	3.53	-9.58	0	310.781	2.468	2	3	4	COc1ccc(CNC(=O)N[C@@H]2C[C@H]3CC[C@@H]2O3)cc1Cl
197611163	ZINC000163100522	ref	5.61	-10.73	0	323.824	3.241	2	3	3	C[C@@]1(NC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)CCOC1
197611164	ZINC000163101604	ref	6.74	-39.93	1	307.438	2.13	2	2	4	NC(=S)c1cc(F)cc(CN2CC[C@H]([NH+]3CCCC3)C2)c1
259310076	ZINC000323045100	ref	6.1	-34.21	1	248.37	2.479	2	1	5	CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C
342603395	ZINC000590880368	ref	5.31	-10.75	0	295.31	1.767	1	4	3	COC(=O)c1ccc(C(=O)N[C@H]2COCC2(C)C)cc1F
342603396	ZINC000590880348	ref	6.05	-13.77	0	291.347	1.557	1	4	4	COC(=O)Cc1cccc(C(=O)N[C@@H]2COCC2(C)C)c1
342603397	ZINC000590881057	ref	4.29	-11.45	0	284.699	1.843	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1Cl
214202051	ZINC000278510871	high	1.72	-53.47	-1	302.758	2.563	2	5	6	CCOc1ccc(NC([O-])=NOCC(C)(C)O)cc1Cl
342603398	ZINC000590880955	ref	5.1	-14.25	0	276.361	1.632	1	4	3	C[C@@H]1[C@H](O)CCN1C(=O)CSc1ccc(C#N)cc1
342603399	ZINC000590880879	ref	3.92	-6.94	0	282.296	1.004	1	6	6	COC(=O)c1cc(C(=O)N[C@@H](C)[C@H](OC)C2CC2)on1
342603400	ZINC000590880992	ref	2.93	-11.96	0	269.322	1.13	1	5	2	COC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)s1
342603401	ZINC000590880882	ref	4.09	-6.93	0	282.296	1.004	1	6	6	COC(=O)c1cc(C(=O)N[C@@H](C)[C@@H](OC)C2CC2)on1
210256030	ZINC000019526305	high	8.45	-10.14	0	390.491	3.557	1	7	9	CCN(CC)[C@H](CNCc1cc(-c2ccccc2)cn2nnnc12)c1ccco1
342603402	ZINC000590880356	ref	3.2	-14.74	0	281.377	1.579	1	3	3	C[S@@](=O)c1cccc(C(=O)N[C@H]2COCC2(C)C)c1
342603403	ZINC000590880659	ref	7.33	-43.88	1	275.396	1.861	2	2	5	C[C@H](NC(=O)CCc1cccnc1)C1CC[NH+](C)CC1
342603404	ZINC000590881583	ref	3.55	-9.42	0	292.335	1.162	1	5	3	CCOC(=O)c1cnc(C)c(C(=O)N2CC[C@@H](O)[C@H]2C)c1
214202053	ZINC000278510871	high	2.38	-46.07	-1	302.758	2.563	2	4	6	CCOc1ccc(NC(=O)[N-]OCC(C)(C)O)cc1Cl
185091627	ZINC000096080982	ref	7.35	-38.56	1	293.436	2.193	1	3	2	CC(C)(C)C[N@@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
199273367	ZINC000181265414	ref	6.17	-13.61	0	316.405	2.043	2	3	5	CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2c[nH]c(C#N)c2)C1
230745308	ZINC000414374756	ref	7.31	-11.06	0	321.446	3.394	1	4	4	CC=CC[C@H]1NC(=O)N(c2nc(CC)c(C(C)(C)C)s2)C1=O
178326267	ZINC000002570854	high	7.33	-43.4	-1	236.278	2.842	0	3	2	Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1
342090527	ZINC000616319268	ref	3.58	-11.08	0	298.427	1.659	1	4	5	CCON1CCC(CC(=O)N2CCC[C@@H](CO)[C@H]2C)CC1
365650944	ZINC000641615226	ref	5.56	-45.9	1	276.384	1.613	3	4	6	OCCC[N@@H+]1CCC[C@H](Nc2cc(C3CC3)ncn2)C1
398250055	ZINC000157383212	ref	5.08	-8.82	0	238.294	2.577	1	4	3	Cc1cc(NCc2ccncc2)c(C#N)c(C)n1
178326279	ZINC000004204262	ref	9.17	-55.16	-1	230.238	3.499	0	2	2	Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1F
178326284	ZINC000004204243	ref	6.43	-6.21	0	212.292	3.463	1	1	2	Cc1ccc(-c2cccc(CO)c2)cc1C
178326286	ZINC000065349480	ref	9.93	-56.39	-1	226.275	3.669	0	2	2	Cc1ccc(-c2cccc(C)c2C(=O)[O-])cc1
398250059	ZINC000157383212	low	5.44	-39.41	1	238.294	2.577	1	3	3	Cc1cc(NCc2ccncc2)c(C#N)c(C)[nH+]1
178326291	ZINC000065340228	ref	6.03	-6.09	0	202.228	3.507	1	1	1	Cc1ccc(-c2ccccc2F)cc1O
365650952	ZINC000641615226	mid	6.0	-45.04	1	276.384	1.613	3	4	6	OCCC[N@H+]1CCC[C@H](Nc2cc(C3CC3)ncn2)C1
365650956	ZINC000641615226	high	3.18	-6.66	0	276.384	1.613	2	5	6	OCCCN1CCC[C@H](Nc2cc(C3CC3)ncn2)C1
178326296	ZINC000113799109	ref	7.27	-5.73	0	203.672	3.71	0	1	1	Cc1ccc(-c2cccc(Cl)c2)cn1
178326302	ZINC000065350073	ref	9.74	-50.5	-1	244.265	3.808	0	2	2	Cc1ccc(-c2cccc(C(=O)[O-])c2C)cc1F
365650964	ZINC000641614983	ref	5.18	-42.1	1	291.399	1.498	3	4	7	CC(C)C[C@@H](C[NH+]1CCCC1)Nc1cc(C(N)=O)ncn1
259310670	ZINC000517247738	ref	5.92	-13.37	0	212.318	1.939	0	4	4	CC(=O)[C@@H](C)SCc1cc(C)nn1C
214202054	ZINC000337661164	ref	4.38	-8.51	0	252.236	2.049	1	2	5	CC[C@@H]1NC(=O)N(CCCCC(F)(F)F)C1=O
178326307	ZINC000038068936	ref	8.8	-5.42	0	233.314	4.397	1	1	1	Cc1ccc(-c2cccc3ccccc23)cc1N
178326310	ZINC000065337781	ref	5.72	-11.54	0	203.216	2.489	1	1	1	Cc1ccc(-c2cccc(=O)[nH]2)c(F)c1
185091628	ZINC000096080982	mid	7.17	-40.6	1	293.436	2.193	1	3	2	CC(C)(C)C[N@H+]1C[C@@H]2CN(C(=O)c3cscn3)C[C@@H]2C1
342090528	ZINC000131955798	ref	7.18	-13.01	0	267.398	1.912	0	4	4	CN(Cc1cnn(C)c1)C(=O)CC1CCSCC1
282123847	ZINC000171330252	ref	6.36	-14.22	0	296.33	2.078	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3ccccc3o1)CC2
197611167	ZINC000290146750	ref	7.09	-14.06	0	258.325	1.923	1	4	3	Cc1ccc([C@H](C)NC(=O)c2ncn(C)n2)cc1C
214202057	ZINC000278509762	ref	8.12	-15.97	0	312.373	3.119	2	4	5	Cc1[nH]nc(NC(=O)[C@H](C)Oc2cccc(C(C)C)c2)c1C#N
214202059	ZINC000278511148	ref	5.61	-15.83	0	309.373	2.063	1	5	3	Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3cc[nH]n3)nc12
214202061	ZINC000278511148	low	8.05	-37.03	1	309.373	2.063	2	4	3	Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]3c3cc[nH]n3)nc12
214202063	ZINC000278511148	low	8.9	-38.68	1	309.373	2.063	2	4	3	Cc1cccn2c(=O)cc(C[N@H+]3CCC[C@@H]3c3cc[nH]n3)nc12
342603405	ZINC000590880355	ref	3.2	-14.67	0	281.377	1.579	1	3	3	C[S@@](=O)c1cccc(C(=O)N[C@@H]2COCC2(C)C)c1
197611172	ZINC000290146190	ref	4.33	-6.93	0	283.681	2.545	1	3	3	CCn1nc(C)c(C(=O)N[C@H](C)C(F)(F)F)c1Cl
342603406	ZINC000590881082	ref	3.38	-15.9	0	280.324	1.013	2	4	2	COC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](O)[C@H]2C)c1C
342603407	ZINC000590881058	ref	5.0	-18.61	0	293.323	1.013	1	5	4	C[C@@H]1[C@H](O)CCN1C(=O)CN(C)c1ccccc1[N+](=O)[O-]
342603408	ZINC000589822097	ref	0.63	-13.73	0	285.344	1.255	2	4	6	CC[C@@H](CC#N)NCc1ccc(F)c(S(N)(=O)=O)c1
342603409	ZINC000589822097	low	1.85	-60.68	1	285.344	1.255	2	3	6	CC[C@@H](CC#N)[NH2+]Cc1ccc(F)c(S(N)(=O)=O)c1
342603410	ZINC000590881042	ref	4.91	-18.73	0	278.308	1.752	1	4	3	CCc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
282123856	ZINC000171498533	ref	8.98	-20.08	0	339.374	2.261	1	5	3	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(-n3cccc3)c(F)c1)CC2
282126059	ZINC000249000344	ref	2.19	-33.76	1	314.813	1.02	4	3	8	C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(Cl)cc1)[C@H](C)CO
214202071	ZINC000278510699	ref	7.51	-13.12	0	310.401	2.783	1	3	4	C[C@@]1(Cc2ccccc2)CCCN1C(=O)NCc1cccnn1
214202073	ZINC000278511091	ref	3.75	-15.81	0	324.377	1.911	3	5	9	CCOC(=O)COc1ccc(NC(=O)NCC[C@@H](O)CC)cc1
214202077	ZINC000278510670	ref	8.01	-18.7	0	321.384	2.502	1	4	4	O=C(Cc1ccc(-n2cccn2)cc1)N1CCC[C@@H]1c1cc[nH]n1
342603411	ZINC000590880887	ref	6.28	-10.17	0	285.384	1.895	1	4	8	COC(=O)CC(C)(C)CC(=O)N[C@H](C)[C@H](OC)C1CC1
342603412	ZINC000590881605	ref	5.29	-11.06	0	278.308	1.68	1	4	3	C[C@@H](C(=O)N1CC[C@@H](O)[C@H]1C)c1cccc([N+](=O)[O-])c1
342603413	ZINC000590880880	ref	4.19	-6.55	0	282.296	1.004	1	6	6	COC(=O)c1cc(C(=O)N[C@H](C)[C@H](OC)C2CC2)on1
219048794	ZINC000286549179	ref	6.12	-19.28	0	317.324	1.623	2	5	4	Cc1nnc([C@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)[nH]1
219048795	ZINC000286549179	mid	5.63	-20.08	0	317.324	1.623	2	5	4	Cc1nc([C@H](C)NC(=O)[C@@H]2CC(c3cccc(F)c3)=NO2)n[nH]1
219048799	ZINC000286549219	ref	6.15	-13.48	0	301.321	2.324	2	2	4	O=C1NC2(CC2)C(=O)N1CCCc1c[nH]c2ccc(F)cc12
219048803	ZINC000286549552	ref	5.07	-13.27	0	321.417	2.637	1	4	5	CC[C@]1(CO)CCCN(C(=O)c2ccc(OC)c(OC)c2C)C1
214202056	ZINC000293807167	ref	2.4	-14.21	0	368.455	0.862	1	5	7	CO[C@@H](CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CC1
290624472	ZINC000492540226	ref	7.31	-15.32	0	284.319	2.152	1	5	5	CCn1ccnc1C=CC(=O)Nc1ccc(C(C)=O)cn1
214202058	ZINC000293800598	ref	-0.21	-14.69	0	370.471	0.891	3	5	8	CC(C)CNS(=O)(=O)c1ccc(C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1
365650946	ZINC000576648906	ref	9.85	-104.86	2	244.382	2.472	2	0	5	C[NH+](C)C1CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1
214202064	ZINC000293804455	ref	6.3	-25.69	0	363.458	0.984	0	5	7	COC[C@@H]1CCN1C(=O)c1c(C)cn(C)c1CC(=O)N1CC[C@@H]1COC
219048810	ZINC000286548714	ref	5.37	-12.15	0	306.337	2.029	1	3	5	COCC[C@H]1NC(=O)N([C@@H]2C[C@@H](c3ccccc3F)C2)C1=O
219048814	ZINC000286550508	ref	8.75	-12.33	0	302.374	2.852	1	4	5	C[C@@H](Cn1ccc2ccccc21)C(=O)NO[C@H]1CCCCO1
214202068	ZINC000293801331	ref	4.76	-15.72	0	361.442	0.95	1	4	4	CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)[C@H]2C1
214202072	ZINC000293801331	mid	7.01	-45.69	1	361.442	0.95	1	4	4	CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)[C@H]2C1
214202075	ZINC000293801331	high	4.76	-15.72	0	361.442	0.95	0	5	4	CCN1CC[C@H]2OCCN(C(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)[C@H]2C1
214202078	ZINC000293795681	ref	2.39	-32.43	0	364.427	0.166	1	6	5	Cc1cc(C)n(CC(=O)N(C)Cc2ccccc2S(N)(=O)=O)c(=O)n1
259310077	ZINC000525446850	ref	0.21	-8.97	0	246.351	1.118	3	3	6	C[C@H](NC(=O)NCCOC(C)(C)C)[C@@H](C)CO
342603414	ZINC000590880685	ref	5.36	-50.73	1	293.758	1.212	2	4	5	C[NH+](C)CCNC(=O)c1cnnn1-c1ccccc1Cl
342603415	ZINC000590880685	high	2.89	-11.95	0	293.758	1.212	1	5	5	CN(C)CCNC(=O)c1cnnn1-c1ccccc1Cl
219048817	ZINC000286550508	mid	8.19	-47.9	-1	302.374	2.852	0	4	5	C[C@@H](Cn1ccc2ccccc21)C(=O)[N-]O[C@H]1CCCCO1
133429180	ZINC000306540404	ref	0.2	-10.09	0	188.252	0.228	1	3	2	CC1(C)C[C@]1(C#N)NS(C)(=O)=O
342090529	ZINC000121983329	ref	5.3	-14.11	0	260.337	1.949	1	3	4	CC(=O)[C@@H]1C[C@H](C(=O)NCc2ccccn2)C1(C)C
365650953	ZINC000576648906	mid	7.43	-40.29	1	244.382	2.472	1	1	5	CN(C)C1CC([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1
282123848	ZINC000533474949	ref	4.47	-10.15	0	277.368	1.381	1	4	3	C[C@@H](O)[C@H]1CCCN(C(=O)c2ccc(N(C)C)nc2)C1
342090530	ZINC000139289239	ref	3.24	-6.42	0	259.143	1.982	2	2	5	OCC(CO)CCc1ccc(Br)cc1
342090531	ZINC000121945641	ref	5.78	-37.21	1	283.412	1.665	2	3	10	O[C@@H](COC[C@@H]1CCCO1)C[NH+](CC1CC1)CC1CC1
365650961	ZINC000576649539	ref	1.31	-54.44	1	212.297	0.467	2	4	6	CCn1nnc(C)c1C[NH2+]CC[C@H](C)O
342090532	ZINC000046904903	ref	3.12	-19.5	0	294.355	1.356	2	4	5	CC(=O)NCCCNC(=O)N1CCC[C@H]1c1cc(C)on1
342090533	ZINC000616319269	ref	3.58	-9.85	0	298.427	1.659	1	4	5	CCON1CCC(CC(=O)N2CCC[C@H](CO)[C@H]2C)CC1
342090534	ZINC000621368605	ref	4.25	-45.8	1	274.368	1.419	2	4	3	C[C@@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1CO
342090535	ZINC000621368605	mid	4.48	-44.92	1	274.368	1.419	2	4	3	C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@@H]1CO
342090536	ZINC000621368605	high	1.64	-9.66	0	274.368	1.419	1	5	3	C[C@@H]1CCN(Cc2ccc3c(c2)nnn3C)C[C@@H]1CO
365650968	ZINC000576649539	high	-0.05	-9.23	0	212.297	0.467	2	5	6	CCn1nnc(C)c1CNCC[C@H](C)O
342090537	ZINC000146366792	ref	8.78	-60.29	0	298.383	1.794	1	4	3	CCOC(=O)N1CCC[C@H]([NH+]2CCC(C(=O)[O-])CC2)CC1
342090538	ZINC000200515751	ref	8.56	-15.96	0	279.248	1.958	0	6	5	CCOC(=O)/C=C/c1ccc(C(=O)OC)cc1[N+](=O)[O-]
342090539	ZINC000621369521	ref	1.62	-41.35	1	279.384	1.441	2	4	6	CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]Cc2nccnc2C)C1
342090540	ZINC000621369521	high	0.33	-7.15	0	279.384	1.441	2	5	6	CO[C@@H]1CCC[C@H]([C@H](CO)NCc2nccnc2C)C1
365650974	ZINC000576647970	ref	7.53	-4.77	0	215.387	3.649	0	3	4	Cc1nsc(C)c1CSCC(C)C
365650979	ZINC000576648307	ref	3.73	-48.89	1	237.347	1.194	2	3	5	CCn1nccc1CC[NH2+][C@H]1C[C@H](O)C1(C)C
222609753	ZINC000170634247	ref	6.8	-9.17	0	364.327	3.664	0	5	4	N#CCN(C(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1)C1CCCC1
342090541	ZINC000616319329	ref	0.89	-14.53	0	252.245	1.051	2	3	4	CCOc1ccc(NC(=O)[C@@H]2CC(=O)N2)c(F)c1
342090542	ZINC000121969028	ref	5.24	-48.09	1	293.415	1.741	2	4	6	CC(C)[NH2+]CCC(=O)N[C@H]1CCCn2nc(C(C)C)nc21
342090543	ZINC000121945787	ref	6.06	-37.43	1	283.412	1.665	2	3	10	O[C@H](COC[C@H]1CCCO1)C[NH+](CC1CC1)CC1CC1
342090544	ZINC000621368604	ref	4.48	-46.36	1	274.368	1.419	2	4	3	C[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1CO
342603416	ZINC000590881055	ref	3.78	-18.1	0	289.291	1.671	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12
214202060	ZINC000337658404	ref	3.27	-15.7	0	288.307	0.573	2	5	6	COCC(=O)NCC(=O)Nc1ccc(-n2cccn2)cc1
136230318	ZINC000295466528	ref	1.13	-10.38	0	229.32	1.102	2	3	7	C=CC(C)(C)C(=O)NCC(C)(C)OCCO
136230319	ZINC000295623214	ref	4.21	-9.91	0	245.322	1.973	2	2	3	C=CC(C)(C)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O
342603417	ZINC000590880622	ref	4.31	-6.56	0	295.339	1.018	0	6	4	CC[C@H](C)N1CCN(C(=O)c2cc(C(=O)OC)no2)CC1
342603418	ZINC000590880622	mid	6.09	-44.51	1	295.339	1.018	1	5	4	CC[C@H](C)[NH+]1CCN(C(=O)c2cc(C(=O)OC)no2)CC1
342603419	ZINC000589822628	ref	5.33	-9.82	0	273.336	1.753	1	5	6	COC(=O)C[C@](C)(NCC1(C#N)CC1)c1ccncc1
136230320	ZINC000233223645	ref	7.4	-69.39	-1	243.303	1.125	0	4	5	CCCOCC(=O)N1CC[C@H](C)C[C@@H]1C(=O)[O-]
342603420	ZINC000589822628	low	6.5	-50.09	1	273.336	1.753	1	4	6	COC(=O)C[C@](C)([NH2+]CC1(C#N)CC1)c1ccncc1
214202062	ZINC000337657496	ref	1.31	-12.7	0	282.319	0.663	3	3	6	Cc1ccc(CNC(=O)N[C@H](C)C(=O)NCCF)cn1
230745330	ZINC000425616850	ref	5.89	-14.14	0	302.321	2.361	0	4	7	COc1ccnc(N(C)C(=O)C(C)(C)COCC(F)F)c1
342603421	ZINC000590880886	ref	5.94	-13.76	0	285.384	1.895	1	4	8	COC(=O)CC(C)(C)CC(=O)N[C@H](C)[C@@H](OC)C1CC1
342603422	ZINC000590880611	ref	5.49	-46.48	1	287.363	1.82	2	3	3	CC[C@@H](C)[NH+]1CCN(C(=O)c2cc(O)cc(C#N)c2)CC1
214202065	ZINC000337660246	ref	7.23	-16.93	0	291.395	2.256	1	2	5	CC(C)NC(=O)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1
342603423	ZINC000590880611	high	4.47	-35.33	-1	287.363	1.82	0	4	3	CC[C@@H](C)N1CCN(C(=O)c2cc([O-])cc(C#N)c2)CC1
342603424	ZINC000590880607	ref	8.44	-46.59	1	298.427	1.908	1	3	6	CC[C@H](C)[NH+]1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1
214202067	ZINC000337659934	ref	11.23	-8.98	0	282.457	3.051	0	5	4	CCC1(CC)CN(c2nnc(C(C)C)n2C)CCS1
342603425	ZINC000590880607	mid	6.58	-11.56	0	298.427	1.908	0	4	6	CC[C@H](C)N1CCN(C(=O)CC(C)(C)CC(=O)OC)CC1
342609873	ZINC000617021768	ref	4.76	-15.76	0	282.384	1.389	2	3	8	C=C(C)C[C@H](NC(C)=O)C(=O)NCCC1CC(OC)C1
398250057	ZINC000651471242	ref	4.82	-36.99	1	298.308	3.461	1	2	4	C[C@@H](CCO)N(C)c1cc[nH+]c2cc(C(F)(F)F)ccc12
136230321	ZINC000295633496	ref	6.78	-8.07	0	213.28	2.084	1	1	3	C#Cc1ccc(CNC(=O)C2CCC2)cc1
166173306	ZINC000034545883	ref	6.67	-36.52	1	183.251	1.224	1	2	7	C=CC[NH+](CC=C)CCC(=O)OC
230240040	ZINC000343104570	ref	-2.7	-16.63	0	256.218	-1.239	4	5	6	O=C(CNC(=O)c1cc([N+](=O)[O-])c[nH]1)NCCO
197611187	ZINC000290147670	ref	5.75	-8.1	0	273.376	2.993	2	2	8	C=CCC(CC=C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
282123851	ZINC000533475362	ref	5.26	-31.88	1	270.417	1.726	2	2	6	CC[C@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)[NH+](CC)CC
136230322	ZINC000295462053	ref	4.69	-10.3	0	248.33	1.384	1	4	3	C#C[C@H](NC(=O)c1c(C)nnn1CC)C(C)(C)C
282123857	ZINC000533475362	high	3.44	-9.27	0	270.417	1.726	1	3	6	CC[C@H](C(=O)N1CCC[C@@H]([C@H](C)O)C1)N(CC)CC
282123863	ZINC000533474850	ref	3.6	-5.96	0	290.363	1.553	2	3	2	Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([C@@H](C)O)C2)cc1
342090545	ZINC000621368604	mid	4.25	-44.66	1	274.368	1.419	2	4	3	C[C@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1CO
290624473	ZINC000492540226	low	7.79	-43.83	1	284.319	2.152	1	4	5	CCn1cc[nH+]c1C=CC(=O)Nc1ccc(C(C)=O)cn1
290624474	ZINC000492541099	ref	5.22	-11.87	0	296.326	2.448	1	4	4	Cc1ccncc1/C=C/C(=O)NCc1cccc2c1OCO2
290624475	ZINC000492541970	ref	4.76	-11.12	0	282.384	2.374	2	3	7	CC(C)(C)OC(=O)NCCCCNC(=O)/C=C\C1CC1
282123870	ZINC000533475294	ref	0.4	-14.08	0	291.351	1.41	3	3	3	C[C@@H](O)[C@@H]1CCCN(C(=O)c2cccc(NC(N)=O)c2)C1
197611216	ZINC000290147399	ref	5.99	-15.82	0	259.371	1.611	1	4	9	C=CCSCCNC(=O)C[C@@H](C)CC(=O)OC
166173308	ZINC000034545883	high	4.61	-4.35	0	183.251	1.224	0	3	7	C=CCN(CC=C)CCC(=O)OC
342090546	ZINC000621368604	high	2.0	-9.79	0	274.368	1.419	1	5	3	C[C@H]1CCN(Cc2ccc3c(c2)nnn3C)C[C@H]1CO
342090547	ZINC000121989859	ref	4.49	-10.8	0	290.71	1.89	1	5	4	Cn1ncc(Cl)c1/C=C(/C#N)C(=O)NCc1ccco1
342090548	ZINC000609093534	ref	6.66	-12.86	0	260.253	1.605	0	5	3	CN(C(=O)c1ccn(C)n1)c1ccc([N+](=O)[O-])cc1
342090549	ZINC000146378716	ref	5.31	-5.76	0	263.078	1.395	0	1	0	O=C(C#CI)N1CCCCC1
342090550	ZINC000609092859	ref	0.89	-19.32	0	289.291	1.024	1	6	5	COC(=O)c1ccc(CNC(=O)Cc2nnc(C)o2)cc1
342090551	ZINC000609090448	ref	6.17	-14.75	0	277.353	1.222	1	6	6	N#CCNC(=O)CSc1nnc(C2CC2)n1C1CC1
342090552	ZINC000616319260	ref	3.8	-14.21	0	291.326	1.935	2	3	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1cc2nc[nH]c2cc1F
342090553	ZINC000616319260	mid	3.83	-16.39	0	291.326	1.935	2	3	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1cc2[nH]cnc2cc1F
342090554	ZINC000609093995	ref	5.57	-18.47	0	295.346	1.321	1	4	2	Cn1ccc(=NC(=O)[C@H]2CCCN2c2ccc(C#N)cc2)[nH]1
342090555	ZINC000046904905	ref	3.42	-19.53	0	294.355	1.356	2	4	5	CC(=O)NCCCNC(=O)N1CCC[C@@H]1c1cc(C)on1
342603426	ZINC000590881138	ref	6.63	-9.06	0	285.347	1.983	0	4	3	CO[C@@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)n2)C12CCC2
290624476	ZINC000492541088	ref	7.52	-42.43	1	287.407	2.251	2	2	6	Cc1ccncc1/C=C\C(=O)NC[C@H](C)C[NH+]1CCCC1
178326278	ZINC000237717935	ref	5.94	-40.25	1	351.397	1.685	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]1
230745337	ZINC000425622434	ref	4.77	-7.91	0	306.381	2.474	3	2	5	O=C(N[C@H](CO)C1CCCC1)N[C@H]1C[C@]1(F)c1ccccc1
412491688	ZINC000352585257	ref	-0.5	-13.66	0	307.328	-0.578	2	8	7	COCC[C@@H](NS(=O)(=O)c1c(N)noc1C)C(=O)OC
365650966	ZINC000623090268	ref	6.31	-45.06	1	303.406	1.621	2	4	9	CN(CC[N@H+](C)CCO)Cc1conc1Cc1ccccc1
365650969	ZINC000623090268	mid	6.31	-45.59	1	303.406	1.621	2	4	9	CN(CC[N@@H+](C)CCO)Cc1conc1Cc1ccccc1
178326280	ZINC000237710135	ref	10.26	-64.45	-1	353.382	1.995	1	7	5	Cc1cc(C)n2nc(C(=O)N[C@H](CC(=O)[O-])c3ccccc3C)nc2n1
398250060	ZINC000650876751	high	4.24	-7.42	0	281.4	1.432	1	3	3	CC[C@@H]1CN(C(=O)N[C@H]2CCN(C3CC3)C2)[C@H](C)CO1
365650973	ZINC000623090268	high	2.83	-7.74	0	303.406	1.621	1	5	9	CN(CCO)CCN(C)Cc1conc1Cc1ccccc1
178326289	ZINC000237723773	ref	4.05	-61.87	1	371.89	1.56	1	3	3	O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CC[NH2+]CC1
178326292	ZINC000237723773	mid	2.76	-14.64	0	371.89	1.56	1	4	3	O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)N1CCNCC1
365650976	ZINC000623090553	ref	3.08	-37.14	1	308.422	1.21	2	4	9	CN(CC[N@H+](C)CCO)Cc1ccc(O[C@H]2CCOC2)cc1
230745355	ZINC000425622528	ref	4.95	-18.2	0	303.362	2.079	2	3	3	CC(C)c1cccc(NC(=O)N[C@@H]2CCC(=O)N(C)C2=O)c1
178326294	ZINC000237712128	ref	7.66	-51.62	1	351.45	1.908	1	2	4	Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1
222609738	ZINC000283761399	ref	6.84	-16.31	0	300.358	1.927	1	3	3	CC#CC(=O)N[C@]1(C)CCN(C(=O)OCc2ccccc2)C1
342603427	ZINC000590870353	ref	7.39	-18.0	0	275.295	1.484	0	3	2	COC(=O)[C@H]1CCCC[C@@H]1C(=O)N1C[C@H](F)[C@H](F)C1
178326298	ZINC000237712128	mid	7.31	-12.2	0	351.45	1.908	1	3	4	Cc1ccccc1CC(=O)N1CCN(C(=O)[C@H](N)c2ccccc2)CC1
178326300	ZINC000237715718	ref	6.71	-94.71	2	368.485	1.595	3	4	5	C[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[N@@H+]1Cc1ccccc1
342603428	ZINC000590881083	ref	3.77	-11.21	0	263.293	1.068	1	4	2	COC(=O)c1cccc(C(=O)N2CC[C@@H](O)[C@H]2C)c1
342603429	ZINC000617007082	ref	4.31	-45.16	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21
342603430	ZINC000617007082	mid	3.52	-45.29	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21
214202070	ZINC000337659006	ref	5.96	-10.87	0	281.355	2.439	2	2	4	O=C(NC[C@@H](O)C1CC1)c1ccc2c3c(cccc13)CC2
342603431	ZINC000617007082	mid	5.12	-34.86	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21
349536169	ZINC000594970540	ref	9.82	-49.57	1	268.364	2.8	1	3	5	CCn1cncc1C[NH2+]C(C)(C)c1cccc(C#N)c1
230745341	ZINC000414375282	ref	6.28	-11.28	0	324.327	3.411	1	5	6	CCc1noc(CC)c1CNCc1cccc2c1OC(F)(F)O2
214202074	ZINC000337658046	ref	3.35	-19.7	0	277.284	-0.194	2	6	6	C[C@H](NC(=O)c1ccoc1)C(=O)NCCn1cncn1
214202076	ZINC000337661037	ref	5.4	-21.38	0	270.296	0.378	2	6	6	N#Cc1cccc(NCC(=O)NCCn2cncn2)c1
214202079	ZINC000337660748	ref	0.74	-23.03	0	289.376	-0.058	3	4	10	CCN(CCOCCO)C(=O)NCCC(=O)NC(C)C
214202081	ZINC000337658969	ref	4.83	-9.39	0	268.401	2.369	2	2	4	C[C@@H]1CCC[C@H]1NC(=O)N1CCC(CCCO)CC1
214202084	ZINC000337659161	ref	9.24	-9.66	0	269.348	3.165	1	3	3	Cc1ccccc1-n1nccc1NC(=O)[C@@H]1CC1(C)C
230745345	ZINC000414375282	mid	7.69	-55.12	1	324.327	3.411	1	4	6	CCc1noc(CC)c1C[NH2+]Cc1cccc2c1OC(F)(F)O2
365650971	ZINC000641615363	ref	2.37	-10.02	0	295.351	1.517	1	3	4	CC1(C)[C@@H](CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1(F)F
214202087	ZINC000337660135	ref	8.32	-12.57	0	267.413	3.467	1	2	7	CCCCC1CCC(C(=O)N[C@@H](C)CC(C)=O)CC1
214202090	ZINC000337659134	ref	-0.72	-13.44	0	290.339	-0.325	4	3	6	C[C@H](NC(=O)NCC(=O)NC(C)(C)C)C(=O)NCCF
214202093	ZINC000337660642	ref	2.93	-53.56	-1	274.346	0.973	1	5	6	CCCC[C@H](C)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1
214202096	ZINC000337660642	mid	2.93	-53.6	-1	274.346	0.973	1	5	6	CCCC[C@H](C)C(=O)Nc1nc(S(C)(=O)=O)n[n-]1
214202097	ZINC000337660642	mid	3.03	-52.56	-1	274.346	0.973	1	5	6	CCCC[C@H](C)C(=O)Nc1nnc(S(C)(=O)=O)[n-]1
282123854	ZINC000151697246	ref	6.89	-39.51	1	309.498	2.345	2	2	5	C[C@@H](CNC(=O)C[C@H]1CCCC(C)(C)C1)N1CC[NH+](C)CC1
214202099	ZINC000337660400	ref	2.97	-9.02	0	275.352	0.981	1	4	2	O=C([C@@H]1CCCOC1)N1CCN[C@@H](c2ccncc2)C1
214202102	ZINC000337660400	low	4.1	-55.22	1	275.352	0.981	1	3	2	O=C([C@@H]1CCCOC1)N1CC[NH2+][C@@H](c2ccncc2)C1
365650978	ZINC000641615498	ref	2.66	-8.89	0	260.341	1.592	1	4	3	NC(=O)c1nccnc1N1CC(C2CCCCC2)C1
342090556	ZINC000048439048	ref	4.6	-40.86	1	262.357	1.713	1	2	4	CCCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1
342090557	ZINC000048439048	high	4.13	-10.46	0	262.357	1.713	1	3	4	CCCCNC(=O)N1CCN(c2ccncc2)CC1
168365730	ZINC000134375982	ref	7.32	-5.45	0	248.286	2.71	1	5	6	CCC(CC)CNc1ncc([N+](=O)[O-])cc1C#N
342090558	ZINC000616319263	ref	4.2	-11.72	0	289.375	1.992	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1ccc2c(c1)CCOC2
282123855	ZINC000358671890	ref	5.42	-39.27	1	273.352	0.849	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](F)C2)CCO1
342090559	ZINC000046888295	ref	3.24	-8.94	0	269.389	1.781	3	2	6	CC(C)NC(=O)CNC(=O)NCCC1CCCCC1
185091630	ZINC000096081120	ref	4.45	-13.82	0	258.321	1.352	1	2	2	CCc1ccc(C(=O)N2CC[C@@H]3NC(=O)C[C@H]32)cc1
365650981	ZINC000124385088	ref	3.98	-6.24	0	268.744	2.324	0	4	2	Clc1cc(N2CCC(C3OCCO3)CC2)ccn1
342090560	ZINC000618613257	ref	3.34	-10.37	0	288.319	1.639	2	3	5	C[C@@]1(CNC(=O)CNC(=O)c2cccs2)CC1(F)F
343995698	ZINC000079972007	ref	7.76	-8.0	0	256.349	2.431	0	2	2	CN1CCN(C(=O)/C=C/C2CC2)Cc2ccccc21
230745350	ZINC000450492912	ref	7.16	-15.71	0	312.373	1.859	0	5	6	C/C=C/COc1cccc(CC(=O)N2CC(n3ccnn3)C2)c1
230745353	ZINC000450493250	ref	6.56	-12.28	0	307.39	1.828	2	4	9	CC[C@@H](O)CC(=O)N[C@H](CCC(=O)OC)Cc1ccccc1
230745356	ZINC000450495722	ref	9.21	-10.99	0	303.366	1.755	0	6	6	CCCc1cc(C(=O)N(C)Cc2cnc(N(C)C)nc2)no1
282123871	ZINC000358671890	high	2.95	-9.12	0	273.352	0.849	1	3	3	CN(C)C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](F)C2)CCO1
342090561	ZINC000078099442	ref	1.31	-11.28	0	250.233	1.403	1	5	3	Cc1noc([C@H](C)NC(=O)c2ccncc2F)n1
282123879	ZINC000458859942	ref	5.54	-41.2	1	273.352	0.849	2	2	3	C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]2F)CCO1
259310078	ZINC000323044650	ref	3.84	-12.77	0	232.287	1.198	2	4	4	CNC(=O)C[C@@H](C)Nc1nc(C)ccc1C#N
342090562	ZINC000621369522	ref	1.63	-41.5	1	279.384	1.441	2	4	6	CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]Cc2nccnc2C)C1
342090563	ZINC000621369522	high	0.74	-7.27	0	279.384	1.441	2	5	6	CO[C@@H]1CCC[C@H]([C@@H](CO)NCc2nccnc2C)C1
168365739	ZINC000037107473	ref	5.81	-7.42	0	248.37	3.203	2	2	6	CCC(CC)CNc1cccc(C(=O)NC)c1C
342090564	ZINC000616319264	ref	4.21	-10.98	0	289.375	1.992	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1ccc2c(c1)CCOC2
342090565	ZINC000616319267	ref	3.55	-11.21	0	298.427	1.659	1	4	5	CCON1CCC(CC(=O)N2CCC[C@H](CO)[C@@H]2C)CC1
365650982	ZINC000623090553	mid	3.05	-36.95	1	308.422	1.21	2	4	9	CN(CC[N@@H+](C)CCO)Cc1ccc(O[C@H]2CCOC2)cc1
342603432	ZINC000617007082	mid	3.61	-36.5	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21
197611210	ZINC000163090920	ref	6.14	-13.8	0	317.414	2.663	1	4	4	COc1ccc(-c2n[nH]cc2C(=O)N(C)[C@@H]2CCSC2)cc1
365650987	ZINC000623090553	mid	3.03	-42.1	1	308.422	1.21	2	4	9	CN(CCO)CC[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1
365650991	ZINC000623090553	mid	3.02	-42.0	1	308.422	1.21	2	4	9	CN(CCO)CC[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1
365650995	ZINC000623090553	high	0.7	-6.32	0	308.422	1.21	1	5	9	CN(CCO)CCN(C)Cc1ccc(O[C@H]2CCOC2)cc1
342603433	ZINC000617007082	high	1.48	-12.39	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21
342603434	ZINC000617007082	high	1.69	-8.29	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21
342603435	ZINC000590881194	ref	5.7	-13.5	0	291.347	1.387	1	4	4	COC(=O)c1ccc(CCC(=O)N2CC[C@@H](O)[C@H]2C)cc1
282123858	ZINC000248986563	mid	5.28	-31.78	1	322.449	1.487	3	3	9	CC(C)N(Cc1ccccc1)C(=O)C[N@H+](C[C@@H](C)O)[C@H](C)CO
342603436	ZINC000617007118	ref	3.7	-42.21	1	277.368	1.698	3	2	3	Cc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)[nH]c(=O)c1
290624477	ZINC000492540277	ref	7.4	-12.04	0	290.392	2.34	0	5	5	CCn1ccnc1/C=C/C(=O)N(C)Cc1cnc(C)s1
342603437	ZINC000617007118	mid	4.94	-41.07	1	277.368	1.698	3	2	3	Cc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)[nH]c(=O)c1
342603438	ZINC000617007118	high	1.93	-9.01	0	277.368	1.698	2	3	3	Cc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)[nH]c(=O)c1
365651000	ZINC000623090882	ref	4.03	-34.24	1	319.218	1.944	2	2	7	CN(CC[N@H+](C)CCO)Cc1cc(F)ccc1Br
230240051	ZINC000343165663	ref	-3.91	-18.05	0	282.362	-1.171	3	5	10	CC[C@@H](CO)NC(=O)CNS(=O)(=O)CCCOC
230240056	ZINC000343185905	ref	0.49	-17.61	0	293.327	-1.227	2	5	3	CNC(=O)[C@H]1CCCN1C(=O)C(=O)NCc1cnn(C)c1
230240062	ZINC000343193327	ref	-0.47	-13.5	0	298.343	-1.106	2	6	8	COCCCN(CCO)C(=O)C(=O)NCc1cnn(C)c1
230240071	ZINC000343096550	ref	0.74	-23.99	0	296.287	-1.178	2	6	4	CNC(=O)CN1CCN(C(=O)c2n[nH]cc2[N+](=O)[O-])CC1
230240084	ZINC000343189583	ref	1.41	-21.57	0	259.331	-1.234	1	4	4	CN(C)C(=O)CSCC(=O)N1CCNC(=O)C1
230240095	ZINC000343175550	ref	-0.77	-21.9	0	292.295	-1.007	3	5	4	NC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1O
230240101	ZINC000343175550	mid	0.24	-63.39	-1	292.295	-1.007	2	5	4	NC(=O)[C@H]1CCCN1C(=O)CNC(=O)c1ncccc1[O-]
342603439	ZINC000617007163	ref	5.53	-39.18	1	290.411	1.707	2	3	5	Cc1nccc(CCC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)n1
214202080	ZINC000278510784	ref	8.81	-15.86	0	324.428	3.373	2	3	7	Cc1nccn1CCCNC(=O)C[C@@H](C)c1c[nH]c2ccccc12
214202083	ZINC000278510784	mid	9.28	-39.51	1	324.428	3.373	2	2	7	Cc1[nH+]ccn1CCCNC(=O)C[C@@H](C)c1c[nH]c2ccccc12
349536171	ZINC000621500536	ref	7.75	-12.02	0	298.308	3.327	1	1	4	O=C(NCC[C@@H]1CC1(F)F)N1CC[C@@H]1c1cccc(F)c1
349536177	ZINC000621499761	ref	6.57	-8.5	0	286.366	3.442	2	1	4	O=C(N[C@H](C(F)F)C1CCCCC1)N[C@@]12CCC[C@@H]1C2
342603440	ZINC000617007163	mid	6.78	-38.56	1	290.411	1.707	2	3	5	Cc1nccc(CCC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)n1
342603441	ZINC000617007163	high	3.75	-9.14	0	290.411	1.707	1	4	5	Cc1nccc(CCC(=O)NC[C@@H]2CCN2C(C)(C)C)n1
349536181	ZINC000621499295	ref	7.95	-8.99	0	286.366	3.253	1	1	3	C[C@@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)CC12CCC2
342603442	ZINC000617006975	ref	4.64	-36.86	1	298.427	1.561	2	3	5	CCOC1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOCC1
342603443	ZINC000617006975	mid	3.91	-36.95	1	298.427	1.561	2	3	5	CCOC1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOCC1
214202085	ZINC000278510214	ref	8.17	-42.71	1	316.445	1.971	3	2	7	O=C(NCC1CC[NH+](C2CC2)CC1)[C@H](O)CCc1ccccc1
342603444	ZINC000617006975	high	1.77	-5.34	0	298.427	1.561	1	4	5	CCOC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOCC1
214202088	ZINC000278511523	ref	9.25	-23.52	0	312.329	1.263	1	6	3	CN(C)c1cc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)ncn1
342603445	ZINC000617007056	ref	6.38	-36.92	1	282.363	1.455	2	3	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cnn(CCF)c1
190495170	ZINC000269447605	ref	2.64	-16.83	0	298.295	0.142	3	6	8	CCOCC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1
349536187	ZINC000621499750	ref	7.56	-10.07	0	274.355	3.109	1	1	5	CC(C)C[C@@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)C1
342603446	ZINC000617007056	mid	4.86	-40.13	1	282.363	1.455	2	3	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cnn(CCF)c1
342603447	ZINC000617007056	high	2.95	-9.65	0	282.363	1.455	1	4	5	CC(C)(C)N1CC[C@H]1CNC(=O)c1cnn(CCF)c1
342603448	ZINC000617007003	ref	4.86	-38.34	1	265.357	1.596	2	3	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CCc1ccon1
230745358	ZINC000425622441	ref	4.55	-9.6	0	309.391	2.088	2	5	4	COC(=O)c1cnc([C@@H](C)NC(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)s1
342603449	ZINC000617007003	mid	6.42	-38.58	1	265.357	1.596	2	3	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)CCc1ccon1
398250061	ZINC000161576232	ref	0.96	-48.05	1	227.308	-0.29	2	2	4	C[C@@H](C[NH3+])C(=O)NCC(=O)N1CCCCC1
178326304	ZINC000237715718	mid	6.39	-94.39	2	368.485	1.595	3	4	5	C[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)C[N@H+]1Cc1ccccc1
210256037	ZINC000019524619	ref	5.61	-16.38	0	399.476	1.681	0	7	5	CCn1cc(S(=O)(=O)N2CC(n3nc(-c4ccccc4)ccc3=O)C2)c(C)n1
210256048	ZINC000019522356	ref	10.89	-15.94	0	392.425	4.127	0	4	3	CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4=CCCCC4)C3)cc2n1
178326306	ZINC000237715718	high	3.91	-53.1	1	368.485	1.595	2	5	5	C[C@H]1C[C@H](NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CN1Cc1ccccc1
178326308	ZINC000237722520	ref	0.99	-45.14	1	367.393	1.159	2	4	7	O=S(=O)(NCCCN1CC[NH2+]CC1)c1ccccc1OC(F)(F)F
290624478	ZINC000492540277	low	7.84	-37.65	1	290.392	2.34	0	4	5	CCn1cc[nH+]c1/C=C/C(=O)N(C)Cc1cnc(C)s1
210256235	ZINC000272863333	ref	-1.14	-7.16	0	310.354	0.337	3	6	5	COc1ncncc1NC(=O)C(=O)NC[C@@H](O)CC(C)(C)C
365650983	ZINC000641614925	ref	0.59	-15.59	0	298.389	1.258	2	6	3	O=S1(=O)CC[C@@](O)(CNc2nccc3sccc23)C1
210255957	ZINC000000643396	mid	7.86	-10.83	0	351.427	4.067	1	3	4	COc1ccccc1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2
210255960	ZINC000000641267	ref	6.35	-13.23	0	365.433	3.579	3	3	4	COc1cccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C)c2C)c1
178326311	ZINC000237718425	ref	6.02	-43.98	1	369.387	1.824	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2F)C1)[C@@H]1CCC[NH2+]1
342090566	ZINC000609093727	ref	7.08	-11.59	0	293.33	1.956	1	5	3	N#Cc1ccc(N2CCC[C@@H]2C(=O)Nc2ncccn2)cc1
230240205	ZINC000343251262	ref	1.5	-16.16	0	285.3	-1.597	2	5	5	COC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(C)=O
214202082	ZINC000293806064	ref	4.06	-14.98	0	362.434	0.725	3	6	5	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N)C(C)C
168365731	ZINC000368506369	mid	10.44	-44.99	1	331.456	3.08	1	3	5	COC(=O)C(C)(C)CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21
168367904	ZINC000043334518	high	0.83	-2.44	0	168.24	1.23	1	3	3	C[C@@H](N)[C@H](c1ccco1)N(C)C
214202086	ZINC000293801802	ref	1.38	-14.78	0	365.365	0.659	2	7	7	COc1cc(OC)c(NC(=O)C(=O)NCCCc2cnn(C)n2)cc1F
133429181	ZINC000306543022	ref	2.63	-8.97	0	174.15	0.527	1	2	2	C[C@H]1[C@@H](C(=O)NCC#N)C1(F)F
214202089	ZINC000293802990	ref	2.27	-20.55	0	369.468	0.837	1	5	3	CN(C(=O)c1ccc2c(c1)SCC(=O)N2)[C@H]1CCN(S(C)(=O)=O)C1
230240212	ZINC000343175357	ref	-1.65	-23.83	0	295.361	-1.616	1	5	7	COCCN(C)S(=O)(=O)N1C[C@H](OC)C[C@@H]1C(N)=O
282123861	ZINC000151697246	mid	4.53	-5.42	0	309.498	2.345	1	3	5	C[C@@H](CNC(=O)C[C@H]1CCCC(C)(C)C1)N1CCN(C)CC1
214202091	ZINC000278510698	ref	5.76	-10.51	0	306.793	3.285	2	2	2	Cc1[nH]c2ccc(Cl)cc2c1C(=O)N[C@@H]1CCOC[C@H]1C
349536173	ZINC000621244426	ref	5.82	-41.78	1	289.37	2.205	3	1	6	C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[C@H]1CC1(F)F
349536176	ZINC000621244426	mid	6.13	-41.17	1	289.37	2.205	3	1	6	C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[C@H]1CC1(F)F
214202094	ZINC000278510641	ref	4.39	-8.54	0	310.737	2.427	2	5	5	CC(C)(O)CONC(=O)c1cc(-c2ccc(Cl)cc2)on1
214202098	ZINC000278512032	ref	6.68	-14.82	0	317.364	2.074	1	3	3	CC(C)C(=O)NC1CCN(C(=O)c2ccc(F)c(C#N)c2)CC1
365650984	ZINC000576648550	ref	2.6	-36.56	1	241.36	1.411	2	3	4	C[NH2+][C@@H](C)C(=O)NC(C)(C)c1ncc(C)s1
365650989	ZINC000576648550	high	1.36	-6.5	0	241.36	1.411	2	4	4	CN[C@@H](C)C(=O)NC(C)(C)c1ncc(C)s1
365650994	ZINC000576650503	ref	5.34	-20.04	0	220.244	2.151	0	3	3	CN(C(=O)CC(C)(F)F)c1nccs1
365650999	ZINC000176025454	ref	6.18	-9.28	0	216.284	2.375	1	2	3	Cc1cnccc1NC(=O)[C@H]1C[C@H]1C1CC1
398250062	ZINC000360090544	ref	3.79	-5.63	0	283.397	1.875	0	6	3	CCCc1nsc(N2CCO[C@@]3(CCO[C@H]3C)C2)n1
282123865	ZINC000151697246	low	6.66	-39.23	1	309.498	2.345	2	2	5	C[C@@H](CNC(=O)C[C@H]1CCCC(C)(C)C1)[NH+]1CCN(C)CC1
282123872	ZINC000151694911	ref	3.19	-22.64	0	318.373	2.182	3	4	5	O=C(NCCC[C@@H]1CCCC[C@@H]1O)c1cccc2[nH]c(=O)oc12
197611232	ZINC000163099830	ref	6.65	-57.35	1	306.431	2.356	1	3	5	C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C
197611234	ZINC000163099830	high	5.53	-12.64	0	306.431	2.356	1	4	5	C[C@@H]1CC[C@H](NCCS(=O)(=O)c2cccc(C#N)c2)[C@@H]1C
214202101	ZINC000278510096	ref	6.14	-10.97	0	302.353	2.675	0	5	3	Cc1cnc(C)c(N2CCC(Oc3ncccc3F)CC2)n1
342090567	ZINC000616319180	ref	2.11	-9.12	0	266.272	1.299	2	3	4	CCOc1ccc(NC(=O)[C@@H]2CCNC2=O)c(F)c1
342090568	ZINC000616319262	ref	3.93	-16.0	0	291.326	1.935	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc2nc[nH]c2cc1F
342090569	ZINC000616319262	mid	3.93	-18.49	0	291.326	1.935	2	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1cc2[nH]cnc2cc1F
342090570	ZINC000609093990	ref	5.89	-13.61	0	295.346	1.321	1	4	2	Cn1ccc(=NC(=O)[C@@H]2CCCN2c2ccc(C#N)cc2)[nH]1
342090571	ZINC000609095152	ref	6.85	-22.31	0	290.392	1.504	1	5	6	CSCCNC(=O)Cc1nnc(-c2ccccc2)n1C
342090572	ZINC000121980553	ref	3.3	-16.09	0	281.312	1.383	2	3	4	O=S(=O)(N[C@@H]1C[C@H]1c1ccccc1F)c1c[nH]cn1
365650986	ZINC000274400021	ref	4.47	-9.07	0	254.311	1.652	1	5	3	COC(=O)C1(C(=O)Nc2sc(C)nc2C)CC1
365650993	ZINC000274400107	ref	4.28	-11.36	0	299.317	1.506	1	3	4	C[C@@H](O)C[C@H]1COCCN1C(=O)Cc1ccc(F)c(F)c1
214202092	ZINC000293806083	ref	7.16	-21.97	0	364.446	0.041	0	6	2	C[C@H]1CN(C(=O)C(C)(C)C)C[C@H](C)N1C(=O)Cn1ccc(=O)n(C)c1=O
365650998	ZINC000274398437	ref	4.86	-44.16	1	261.329	1.225	3	3	2	O=C(Nc1cncnc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12
230745377	ZINC000414373065	ref	6.54	-9.15	0	305.809	3.203	0	4	7	CCc1ncc(CN(C)CCOc2ccccc2Cl)cn1
342090573	ZINC000121980553	high	3.0	-55.41	-1	281.312	1.383	1	3	4	O=S(=O)([N-][C@@H]1C[C@H]1c1ccccc1F)c1c[nH]cn1
342090574	ZINC000048438986	ref	7.2	-10.69	0	276.292	1.407	0	4	4	COC(=O)CCN1C(=O)[C@H](C)N(c2ccccc2)C1=O
214202095	ZINC000293801578	ref	1.74	-14.73	0	351.447	0.572	2	5	8	CNC(=O)N1CCN(C[C@H](O)COc2ccc(CCOC)cc2)CC1
342090575	ZINC000046896401	ref	2.13	-10.28	0	291.351	1.724	2	4	5	COc1ccc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)cn1
342090576	ZINC000621369524	ref	1.77	-41.83	1	279.384	1.441	2	4	6	CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]Cc2nccnc2C)C1
342090577	ZINC000621369524	high	0.79	-8.15	0	279.384	1.441	2	5	6	CO[C@@H]1CCC[C@@H]([C@@H](CO)NCc2nccnc2C)C1
342090578	ZINC000121966752	ref	5.17	-13.45	0	292.379	1.794	2	3	5	COc1ccc(CCNC(=O)N2CCC[C@@]2(C)CO)cc1
342090579	ZINC000046896398	ref	2.12	-10.38	0	291.351	1.724	2	4	5	COc1ccc(NC(=O)[C@H](C)NC(=O)C2CCCC2)cn1
342090580	ZINC000121969230	ref	5.24	-47.91	1	293.415	1.741	2	4	6	CC(C)[NH2+]CCC(=O)N[C@@H]1CCCn2nc(C(C)C)nc21
342090581	ZINC000621369688	ref	3.85	-49.22	1	280.368	1.621	1	4	8	CCOc1cncc(C[NH2+]C[C@H](OC)[C@@H]2CCOC2)c1
230745380	ZINC000414373065	mid	8.85	-46.46	1	305.809	3.203	1	3	7	CCc1ncc(C[N@H+](C)CCOc2ccccc2Cl)cn1
230745383	ZINC000414373065	mid	8.84	-46.01	1	305.809	3.203	1	3	7	CCc1ncc(C[N@@H+](C)CCOc2ccccc2Cl)cn1
342090582	ZINC000621369688	high	2.42	-6.72	0	280.368	1.621	1	5	8	CCOc1cncc(CNC[C@H](OC)[C@@H]2CCOC2)c1
342090583	ZINC000310122647	ref	5.71	-10.82	0	254.311	1.534	1	5	4	COC(=O)[C@@H](Sc1ncc(C)c(=O)[nH]1)C1CC1
282123862	ZINC000248986563	mid	2.99	-9.47	0	322.449	1.487	2	4	9	CC(C)N(Cc1ccccc1)C(=O)CN(C[C@@H](C)O)[C@H](C)CO
282123866	ZINC000248982010	ref	7.71	-12.71	0	324.421	1.293	0	4	3	CCC(=O)N1CCC[C@H](C(=O)N2CC[C@@H](C(=O)OC)[C@@H](C)C2)C1
365654367	ZINC000641614335	ref	2.85	-13.65	0	269.37	1.185	1	4	6	CCCCS(=O)(=O)NCc1ncc2c(n1)CCC2
214202100	ZINC000293801578	low	3.93	-54.25	1	351.447	0.572	3	4	8	CNC(=O)N1CC[NH+](C[C@H](O)COc2ccc(CCOC)cc2)CC1
214202105	ZINC000293804460	ref	6.3	-24.17	0	363.458	0.984	0	5	7	COC[C@@H]1CCN1C(=O)Cc1c(C(=O)N2CC[C@H]2COC)c(C)cn1C
214202108	ZINC000293795131	ref	0.99	-20.12	0	368.455	0.496	2	5	6	O=C(NC[C@H]1CC[C@@H](CO)O1)[C@H]1CCCN1S(=O)(=O)c1ccccc1
342603450	ZINC000617007003	high	3.52	-9.35	0	265.357	1.596	1	4	5	CC(C)(C)N1CC[C@@H]1CNC(=O)CCc1ccon1
342603451	ZINC000590881116	ref	5.29	-14.47	0	294.307	1.345	1	5	5	C[C@@H]1[C@H](O)CCN1C(=O)CCOc1ccccc1[N+](=O)[O-]
214202111	ZINC000293807705	ref	2.29	-23.05	0	369.418	0.744	1	4	3	CN(C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)[C@H]1CCN(S(C)(=O)=O)C1
214202117	ZINC000293806397	ref	5.51	-28.11	0	360.366	0.554	2	6	4	C[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C)OC3=O)cc2)C(=O)O1
214202121	ZINC000293803990	ref	3.8	-13.65	0	350.371	0.805	1	6	6	COCc1cc(NC(=O)C(=O)N2CC[C@H]2COC)cc(C(=O)OC)c1
342603452	ZINC000590881193	ref	4.55	-11.93	0	280.393	1.687	1	4	5	C[C@@H]1[C@H](O)CCN1C(=O)CCSCc1ccccn1
342603453	ZINC000617006977	ref	3.5	-39.67	1	250.289	1.215	2	2	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)COC(F)F
214202126	ZINC000293807171	ref	2.19	-13.0	0	368.455	0.862	1	5	7	CO[C@H](CNS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1)C1CC1
342603454	ZINC000617006977	mid	5.06	-39.56	1	250.289	1.215	2	2	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)COC(F)F
342603455	ZINC000617006977	high	2.16	-9.83	0	250.289	1.215	1	3	5	CC(C)(C)N1CC[C@@H]1CNC(=O)COC(F)F
230745371	ZINC000425615571	ref	6.55	-11.31	0	300.362	2.282	0	5	5	CCc1ncnc(CC)c1C(=O)N(C)c1cc(OC)ccn1
214202132	ZINC000293794457	ref	0.22	-21.17	0	357.432	0.565	2	5	5	CNS(=O)(=O)c1cc(C(=O)N2CCCNC(=O)[C@H]2CC(C)C)co1
342603456	ZINC000590870304	ref	6.17	-13.22	0	293.363	1.633	1	4	5	COC(=O)Cc1cccc(C(=O)N(C)[C@H](C)C(C)(C)O)c1
342603457	ZINC000617007079	ref	3.42	-45.8	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21
222609754	ZINC000291778506	ref	9.82	-8.63	0	303.45	3.436	0	3	5	CC[C@H](C)CN(C)C(=O)c1ccnc(N2CCC[C@@H](C)C2)c1
342603458	ZINC000617007079	mid	4.36	-45.04	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21
342603459	ZINC000617007079	mid	3.38	-37.95	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21
342603460	ZINC000617007079	mid	4.04	-37.49	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21
210255967	ZINC000000643686	ref	10.97	-11.21	0	373.474	4.048	1	5	5	COC(=O)c1c(NC(=O)COc2c(C)cccc2C)sc2c1CCCC2
214202103	ZINC000278510384	ref	6.48	-15.67	0	316.788	3.292	2	2	4	O=C(NCC1(c2ccc(Cl)cc2)CCC1)c1cccc(=O)[nH]1
185091632	ZINC000096080881	ref	8.04	-47.68	1	276.38	2.134	1	2	3	Cc1ccc(C[NH+]2C[C@H]3CN(C(=O)C(C)C)C[C@@H]3C2)o1
185091633	ZINC000096080881	high	5.29	-10.91	0	276.38	2.134	0	3	3	Cc1ccc(CN2C[C@H]3CN(C(=O)C(C)C)C[C@@H]3C2)o1
295667008	ZINC000412996952	ref	4.04	-6.18	0	316.224	2.892	2	4	4	CC[C@@H](O)CSc1nc2cc(Br)c(C)nc2[nH]1
185091637	ZINC000096080694	ref	4.62	-13.37	0	286.335	0.848	1	3	2	O=C(NC1CC1)N1C[C@H]2CN(c3cccnc3)C(=O)[C@H]2C1
230745374	ZINC000425617450	ref	8.58	-44.39	1	303.381	2.113	2	1	2	O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)N1CC[NH+]2CCC1CC2
230745376	ZINC000425617450	high	6.81	-7.97	0	303.381	2.113	1	2	2	O=C(N[C@@H]1C[C@@]1(F)c1ccccc1)N1CCN2CCC1CC2
365650988	ZINC000124448389	ref	7.95	-15.8	0	291.314	2.494	0	6	4	c1ccn2c(OCc3ccc(-n4cccn4)cc3)nnc2c1
365651001	ZINC000124409825	ref	5.1	-46.03	-1	293.396	2.26	0	5	5	CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nnn[n-]2)s1
214202107	ZINC000278510697	ref	7.27	-13.32	0	310.401	2.783	1	3	4	C[C@]1(Cc2ccccc2)CCCN1C(=O)NCc1cccnn1
178326314	ZINC000089202465	ref	9.97	-8.14	0	234.302	4.052	1	1	2	Cc1ccc(-c2ccccc2-c2ncc[nH]2)cc1
365651006	ZINC000124409825	mid	5.09	-46.03	-1	293.396	2.26	0	5	5	CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)s1
365651013	ZINC000124409825	mid	5.11	-11.31	0	293.396	2.26	1	5	5	CC(C)c1ccc(C(=O)N(C)C[C@@H](C)c2nn[nH]n2)s1
136230323	ZINC000295486859	ref	6.21	-7.62	0	233.302	3.14	1	1	7	C=C(C)C[C@@H](C)C(=O)NCCCC(C)(F)F
136230324	ZINC000295465379	ref	2.62	-13.75	0	227.26	-0.096	1	4	5	C#CCO[C@H](C)C(=O)NCC1(C)OCCO1
365651018	ZINC000124437679	ref	5.89	-8.02	0	283.412	2.467	0	3	4	CCC[C@@H](C(=O)N1CCOC2(CCOCC2)C1)C(C)C
178326322	ZINC000089202465	low	9.53	-27.28	1	234.302	4.052	1	0	2	Cc1ccc(-c2ccccc2-c2[nH]cc[nH+]2)cc1
398250063	ZINC000093611568	ref	5.41	-39.04	1	249.276	2.342	2	1	2	O[C@]1(C(F)(F)F)CC[N@H+](C[C@H]2CC=CCC2)C1
365651027	ZINC000124389299	ref	5.95	-9.69	0	290.407	2.124	2	2	5	Cc1ccc(CCNC(=O)CNC(=O)C(C)(C)C)c(C)c1
178326330	ZINC000299803184	ref	5.3	-44.8	1	240.306	2.319	1	2	2	Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)nc1
136230325	ZINC000233223640	ref	6.18	-57.5	-1	229.276	0.735	0	4	5	CCCOCC(=O)N1CC[C@H](C(=O)[O-])[C@H]1C
214202104	ZINC000053886720	ref	7.34	-20.14	0	331.416	2.255	1	3	4	CC(C)CC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C
299072539	ZINC000459276839	ref	9.5	-42.34	1	308.466	2.528	1	2	6	O=C(C1CC[NH+](CCOCC2CCCC2)CC1)N1CCCC1
168365734	ZINC000368504953	ref	9.71	-10.97	0	340.383	3.273	1	6	5	CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2ccccn2)CC1
168365736	ZINC000368504953	low	10.1	-38.3	1	340.383	3.273	1	5	5	CC(=O)c1cc([N+](=O)[O-])ccc1NC1CCN(c2cccc[nH+]2)CC1
168365740	ZINC000368502114	ref	8.3	-10.88	0	332.473	3.375	1	5	5	CCCC[C@@H](CC)C(=O)N1CCc2c(sc3ncnc(N)c23)C1
168365741	ZINC000368504864	ref	7.39	-8.22	0	327.384	3.226	0	5	5	O=C(c1cnc(OCC2CC2)cn1)N1CCCC[C@@H]1c1ccco1
168365743	ZINC000368504563	ref	5.43	-4.29	0	326.234	3.083	0	3	4	Brc1ccccc1OCCN1CCC[C@@]12CCOC2
168365744	ZINC000368504563	mid	7.6	-31.71	1	326.234	3.083	1	2	4	Brc1ccccc1OCC[N@@H+]1CCC[C@@]12CCOC2
168365746	ZINC000368504563	mid	7.32	-35.21	1	326.234	3.083	1	2	4	Brc1ccccc1OCC[N@H+]1CCC[C@@]12CCOC2
342603461	ZINC000617007079	high	1.45	-12.4	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCCc2nn[nH]c21
214202112	ZINC000053850766	ref	5.41	-15.06	0	338.205	2.0	2	3	4	CC(C)CNC(=O)Cc1nc2ccc(Br)cc2c(=O)[nH]1
214202116	ZINC000053854594	ref	6.05	-18.46	0	339.395	2.639	3	3	6	C[C@H](OCc1ccccc1)C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1
398250064	ZINC000651471242	mid	4.39	-6.35	0	298.308	3.461	1	3	4	C[C@@H](CCO)N(C)c1ccnc2cc(C(F)(F)F)ccc12
342603462	ZINC000617007079	high	2.37	-8.43	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@H]1CCCc2n[nH]nc21
342603463	ZINC000590870335	ref	6.43	-11.53	0	282.315	1.992	1	3	3	CCOC(=O)c1[nH]c(C)c(C(=O)N2CC[C@H](F)C2)c1C
398250066	ZINC000651469604	ref	4.87	-40.22	1	276.352	3.344	1	3	5	C[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1cncs1
214202129	ZINC000053862203	ref	6.9	-16.16	0	347.39	2.066	1	3	5	CC(C)[C@@H](NC(=O)CN1C(=O)[C@@H]2CCCN2C1=O)c1ccc(F)cc1
342603464	ZINC000590881113	ref	5.27	-15.4	0	284.699	1.843	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]
323005658	ZINC000300909714	ref	5.39	-5.37	0	207.233	1.251	1	5	4	C=C(C)CNc1ncncc1C(=O)OC
342603465	ZINC000617007189	ref	3.69	-37.53	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
349539048	ZINC000602466018	mid	7.1	-71.32	1	247.342	2.549	2	2	7	CC(C)CC[N@@H+](CCC#N)Cc1ccc(=O)[nH]c1
214202106	ZINC000337657959	ref	6.17	-41.96	1	291.386	2.453	3	1	7	CC[NH+](CC)CCNC(=O)NC[C@@H]1CCCC(F)(F)C1
197611247	ZINC000163103876	ref	5.35	-9.52	0	310.385	2.225	0	3	3	CN(C(=O)[C@@H]1CCCN(CC(F)(F)F)C1)[C@@H]1CCSC1
323005659	ZINC000561696159	ref	4.62	-10.78	0	221.247	1.427	1	2	5	CO[C@@H](C(=O)N[C@H]1C[C@@H]1C(F)F)C(C)C
293081747	ZINC000361882548	ref	4.03	-14.11	0	264.325	1.726	0	4	4	COC[C@H](C)[C@H](C)C(=O)N1CCOc2ccncc21
197611250	ZINC000163105606	ref	4.93	-6.99	0	317.477	2.105	1	3	5	C[C@@H](C(=O)N[C@H](C)C(C)(C)c1ccccc1)N1CCN(C)CC1
214202118	ZINC000337660175	ref	5.35	-11.13	0	253.309	2.026	1	5	4	CN(C)c1ccc(CNc2ccc(C#N)nc2)cn1
365650990	ZINC000641614978	ref	-0.55	-42.99	-1	251.33	1.938	0	4	4	CCC(C)(C)c1n[n-]c(=NCC2=CCOCC2)o1
230745384	ZINC000450492653	ref	6.23	-20.24	0	321.333	1.391	2	6	6	COC(=O)Cc1ccc(NC[C@@H]2CCCC(=O)N2)c([N+](=O)[O-])c1
168365745	ZINC000309490607	ref	3.13	-50.22	1	236.381	0.904	1	2	8	CCC(CC)CS(=O)(=O)N(C)CC[NH2+]C
197611251	ZINC000163105606	mid	7.3	-31.92	1	317.477	2.105	2	2	5	C[C@@H](C(=O)N[C@H](C)C(C)(C)c1ccccc1)N1CC[NH+](C)CC1
214202120	ZINC000337660175	low	5.79	-41.24	1	253.309	2.026	1	4	4	CN(C)c1ccc(CNc2ccc(C#N)nc2)c[nH+]1
210255970	ZINC000000643441	ref	5.63	-18.75	0	371.422	1.35	0	7	4	O=S(=O)(c1ccc(-c2ccc(-n3cnnn3)cc2)cc1)N1CCOCC1
365650996	ZINC000641615359	ref	2.38	-13.09	0	295.351	1.517	1	3	4	CC1(C)[C@H](CNS(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2O3)C1(F)F
365651002	ZINC000641614970	ref	3.58	-12.39	0	289.36	1.444	1	4	4	O=S(=O)(NCc1ncc2c(n1)CCC2)c1ccccc1
365651008	ZINC000641615704	ref	4.53	-14.92	0	293.339	1.094	1	4	6	CC1(C)[C@@H](CNS(=O)(=O)CCn2ccnc2)C1(F)F
365651016	ZINC000641615704	low	5.04	-43.58	1	293.339	1.094	1	3	6	CC1(C)[C@@H](CNS(=O)(=O)CCn2cc[nH+]c2)C1(F)F
365651020	ZINC000641615254	ref	6.9	-12.7	0	256.313	1.383	2	5	5	c1nc(NCc2nnc(C3CC3)[nH]2)cc(C2CC2)n1
365651024	ZINC000641615254	mid	6.5	-9.32	0	256.313	1.383	2	5	5	c1nc(NCc2n[nH]c(C3CC3)n2)cc(C2CC2)n1
214202124	ZINC000337660153	ref	7.01	-10.08	0	274.364	2.458	1	2	4	Cc1ccccc1CN(C(=O)N[C@H]1CCOC1)C1CC1
342603466	ZINC000617007189	mid	4.93	-37.08	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214202127	ZINC000337657917	ref	5.8	-6.85	0	295.295	3.06	1	5	3	Cc1nc(C(=O)Nc2ccc([N+](=O)[O-])cc2F)c(C)s1
365651031	ZINC000641615814	ref	7.89	-12.43	0	282.347	1.57	0	5	1	Cc1cncnc1N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2
214202109	ZINC000278511063	ref	8.0	-44.56	1	307.459	3.005	1	3	6	Cc1ccc(C[NH2+]C[C@H]2CCSC2)c(O[C@@H]2CCOC2)c1
178326315	ZINC000237720456	ref	11.24	-65.42	-1	371.441	1.762	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CC[C@@](C)(C(=O)[O-])C3)c2C)n1
365651003	ZINC000274398437	mid	4.52	-45.46	1	261.329	1.225	3	3	2	O=C(Nc1cncnc1)N[C@H]1CC[N@H+]2CCCC[C@@H]12
214202114	ZINC000278511078	ref	5.63	-9.86	0	301.333	2.411	1	3	8	CC[C@H](NC(=O)CCc1ccc(F)cc1F)C(OC)OC
365651009	ZINC000274398328	ref	4.87	-45.01	1	291.38	1.962	3	4	5	C[NH+](C)[C@@H](CNC(=O)Nc1cncnc1)c1cccs1
365651015	ZINC000274398328	mid	2.32	-10.16	0	291.38	1.962	2	5	5	CN(C)[C@@H](CNC(=O)Nc1cncnc1)c1cccs1
178326318	ZINC000237724056	ref	6.04	-50.88	1	369.44	1.993	3	2	6	O=C(NCCNC(=O)C1(c2ccccc2)CC[NH2+]CC1)c1ccc(F)cc1
178326326	ZINC000237720332	ref	11.14	-74.55	-1	357.414	1.514	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c2C)n1
342603467	ZINC000617007189	high	1.91	-7.48	0	298.427	1.417	1	4	5	CO[C@@H]1COCC[C@H]1CC(=O)NC[C@@H]1CCN1C(C)(C)C
178326329	ZINC000237722868	ref	3.95	-62.08	1	351.472	1.486	1	3	3	CC(=O)N1c2ccc(S(=O)(=O)N3CCCC[C@@H]3C[NH3+])cc2C[C@@H]1C
178326332	ZINC000237716581	ref	2.77	-60.61	1	373.375	1.291	3	3	7	C[C@](NC(=O)C[NH2+]C[C@@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1
178326335	ZINC000237716581	high	1.34	-20.31	0	373.375	1.291	3	4	7	C[C@](NC(=O)CNC[C@@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1
178326336	ZINC000237712877	ref	5.06	-13.71	0	358.467	1.437	1	5	4	Cc1ccccc1CC(=O)N1CCN(C(=O)c2csc(CN)n2)CC1
178326340	ZINC000237712877	mid	5.44	-69.47	1	358.467	1.437	1	4	4	Cc1ccccc1CC(=O)N1CCN(C(=O)c2csc(C[NH3+])n2)CC1
214202115	ZINC000278509709	ref	3.94	-10.98	0	305.422	2.148	1	4	4	Cc1cccnc1OC1CCN(CC(=O)NC(C)(C)C)CC1
342603468	ZINC000590881271	ref	4.89	-16.27	0	264.281	1.119	1	4	3	C[C@@H]1[C@H](O)CCN1C(=O)Cc1cccc([N+](=O)[O-])c1
230745405	ZINC000450495633	ref	8.62	-14.4	0	324.379	1.881	0	6	7	C[C@H]1C[C@@H]1c1nnc2ccc(N(C)CCN(C)CC(F)F)nn12
342603469	ZINC000617007175	ref	3.54	-36.63	1	284.4	1.171	2	3	4	COC1(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOCC1
342603470	ZINC000617007175	mid	2.92	-37.01	1	284.4	1.171	2	3	4	COC1(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)CCOCC1
342603471	ZINC000617007175	high	0.61	-5.65	0	284.4	1.171	1	4	4	COC1(C(=O)NC[C@H]2CCN2C(C)(C)C)CCOCC1
342603472	ZINC000590881261	ref	5.42	-12.45	0	258.321	1.473	1	3	3	C[C@@H]1[C@H](O)CCN1C(=O)CCc1ccc(C#N)cc1
342603473	ZINC000590881176	ref	3.86	-20.93	0	280.28	1.199	1	5	3	COc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
342603474	ZINC000590870178	ref	1.11	-10.86	0	256.346	1.014	3	3	6	C[C@H](C[C@H]1CCCO1)NC(=O)NC[C@@H](O)C1CC1
342603475	ZINC000617006969	ref	2.61	-35.61	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@@](C)(O)C1CC1
342603476	ZINC000617006969	mid	4.1	-35.69	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@](C)(O)C1CC1
342603477	ZINC000617006969	high	1.19	-6.06	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@@](C)(O)C1CC1
342603478	ZINC000590870299	ref	2.4	-10.85	0	262.309	1.495	2	4	3	C[C@@H](N(C)C(=O)c1cc(O)cc(C#N)c1)C(C)(C)O
214202119	ZINC000278509709	mid	6.1	-40.44	1	305.422	2.148	2	3	4	Cc1cccnc1OC1CC[NH+](CC(=O)NC(C)(C)C)CC1
342603479	ZINC000590870299	mid	3.16	-38.97	-1	262.309	1.495	1	4	3	C[C@@H](N(C)C(=O)c1cc([O-])cc(C#N)c1)C(C)(C)O
342603480	ZINC000590881172	ref	4.07	-12.62	0	293.323	1.378	2	5	5	C[C@@H]1[C@H](O)CCN1C(=O)CCNc1ccccc1[N+](=O)[O-]
342603481	ZINC000590881238	ref	2.78	-16.05	0	282.3	1.037	2	5	3	CC(C)c1n[nH]c(C(=O)N2CC[C@@H](O)[C@H]2C)c1[N+](=O)[O-]
342603482	ZINC000590881238	mid	2.91	-17.52	0	282.3	1.037	2	5	3	CC(C)c1[nH]nc(C(=O)N2CC[C@@H](O)[C@H]2C)c1[N+](=O)[O-]
342603483	ZINC000617007190	ref	5.16	-38.22	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342603484	ZINC000617007190	mid	4.04	-38.04	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603485	ZINC000617007190	high	2.14	-7.71	0	298.427	1.417	1	4	5	CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@H]1CCN1C(C)(C)C
282123864	ZINC000449156591	ref	7.51	-10.17	0	270.376	2.456	1	2	2	O=C(Cc1ccc2c(c1)NCC2)N1C[C@@H]2CCC[C@H]2C1
342603486	ZINC000617007131	ref	2.43	-38.15	1	281.356	1.676	2	4	5	CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)on1
342603487	ZINC000617007131	mid	3.69	-37.63	1	281.356	1.676	2	4	5	CCOc1cc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)on1
398254293	ZINC000381590220	mid	6.57	-107.19	2	246.345	2.481	2	0	3	C[C@@H]1C[C@H](C[NH3+])C[N@H+]1C[C@@H]1CCCCC1(F)F
342603488	ZINC000617007131	mid	0.66	-5.78	0	281.356	1.676	1	5	5	CCOc1cc(C(=O)NC[C@@H]2CCN2C(C)(C)C)on1
349539049	ZINC000602465951	ref	5.89	-12.65	0	236.275	1.48	0	5	3	C=C1CCN(Cc2cn(C)nc2[N+](=O)[O-])CC1
342603489	ZINC000617008100	ref	4.76	-45.71	1	264.373	1.25	3	2	4	Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214202125	ZINC000278510180	ref	8.85	-41.79	1	304.463	3.11	1	4	4	Cc1ccc([C@@H](C)[NH2+][C@H]2CCCN(c3ccnn3C)C2)s1
214202128	ZINC000278510686	ref	7.71	-51.07	1	319.453	2.13	2	3	7	C[NH+](C)CCN(CC1CCCCC1)C(=O)NCc1cccnn1
282123867	ZINC000171335447	ref	6.87	-13.48	0	330.775	2.731	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1cc3cc(Cl)ccc3o1)CC2
365651004	ZINC000176025454	low	6.64	-33.54	1	216.284	2.375	1	1	3	Cc1c[nH+]ccc1NC(=O)[C@H]1C[C@H]1C1CC1
365651010	ZINC000576651662	ref	10.13	-39.79	1	243.394	3.958	1	0	4	C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@H]2c2ccccc2)C1
365651019	ZINC000576648678	ref	4.82	-35.58	1	226.32	0.574	1	2	2	CC1C[NH+]([C@@H](C)C(=O)N2CCOC[C@@H]2C)C1
342090584	ZINC000310122647	mid	4.58	-46.81	-1	254.311	1.534	0	5	4	COC(=O)[C@@H](Sc1ncc(C)c(=O)[n-]1)C1CC1
342090585	ZINC000621369507	ref	4.52	-58.01	1	287.367	1.256	1	5	5	CCOc1cncc(C[NH2+][C@H]2CCc3c(nnn3C)C2)c1
365651025	ZINC000576648678	mid	1.86	-8.2	0	226.32	0.574	0	3	2	CC1CN([C@@H](C)C(=O)N2CCOC[C@@H]2C)C1
365651030	ZINC000576647686	ref	7.52	-46.03	1	247.338	2.592	1	2	4	C[C@H]1[C@H](C)C[C@H]1[NH2+]CCc1ccc2c(c1)OCO2
230745410	ZINC000414373565	ref	8.49	-37.39	1	313.445	3.294	1	3	5	Cc1ccc([C@@H]2OCCC[C@@H]2C[NH2+]Cc2cc(C)n(C)n2)cc1
230745413	ZINC000414373565	high	7.29	-7.89	0	313.445	3.294	1	4	5	Cc1ccc([C@@H]2OCCC[C@@H]2CNCc2cc(C)n(C)n2)cc1
342090586	ZINC000621369507	high	3.34	-13.9	0	287.367	1.256	1	6	5	CCOc1cncc(CN[C@H]2CCc3c(nnn3C)C2)c1
342090587	ZINC000621368607	ref	3.86	-44.04	1	274.368	1.419	2	4	3	C[C@@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1CO
342090588	ZINC000621368607	mid	4.46	-45.2	1	274.368	1.419	2	4	3	C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)nnn3C)C[C@H]1CO
168365747	ZINC000368508876	ref	7.82	-55.24	1	341.48	3.265	2	3	5	Cc1ccc(-c2csc(C[NH2+][C@H]3CCC(=O)N[C@@H]3C3CC3)n2)cc1
342090589	ZINC000621368607	high	2.21	-9.81	0	274.368	1.419	1	5	3	C[C@@H]1CCN(Cc2ccc3c(c2)nnn3C)C[C@H]1CO
342090590	ZINC000616319266	ref	4.22	-10.18	0	289.375	1.992	1	3	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1ccc2c(c1)CCOC2
342104069	ZINC000619924118	ref	6.72	-13.18	0	294.395	1.415	0	3	3	C[C@H]1COC2(CCCC2)CN1C(=O)CN(C)C(=O)C1CC1
342104070	ZINC000041826416	ref	6.23	-14.8	0	290.319	1.247	1	5	4	COC(=O)C(C)(C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1
214202131	ZINC000278510686	high	5.23	-10.9	0	319.453	2.13	1	4	7	CN(C)CCN(CC1CCCCC1)C(=O)NCc1cccnn1
365651034	ZINC000576652916	ref	6.28	-43.53	-1	240.303	1.434	1	3	5	C[C@H](C(=O)[O-])N(C(=O)NCC1CC1)C1CCC1
365651046	ZINC000576649708	ref	6.37	-40.34	1	235.375	3.085	2	1	3	Cc1nc(C[NH2+][C@H]2CCCC(C)(C)C2)[nH]c1C
349536174	ZINC000594970540	mid	8.81	-8.81	0	268.364	2.8	1	4	5	CCn1cncc1CNC(C)(C)c1cccc(C#N)c1
178326337	ZINC000095931414	ref	8.87	-6.35	0	204.219	3.94	0	0	1	Cc1ccc(-c2cccc(F)c2F)cc1
197611256	ZINC000163106176	ref	10.02	-16.48	0	316.445	2.87	1	2	6	CC[C@H](C(=O)N[C@H](C)C(C)(C)c1ccccc1)N1CCCC1=O
214202130	ZINC000337661163	ref	4.38	-8.47	0	252.236	2.049	1	2	5	CC[C@H]1NC(=O)N(CCCCC(F)(F)F)C1=O
214202133	ZINC000337659314	ref	7.69	-52.07	-1	298.342	2.48	0	4	2	Cc1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cnc2ccccc12
197611258	ZINC000163096597	ref	5.08	-9.16	0	312.797	2.667	1	3	3	COc1ccc(CNC(=O)N2CCO[C@H](C)[C@H]2C)cc1Cl
282123868	ZINC000449156688	ref	5.18	-11.57	0	296.374	2.381	2	4	3	Nc1ccc(C(=O)N2CCC[C@@H](Nc3ccccc3)C2)nc1
349536179	ZINC000594970128	ref	7.89	-53.25	1	268.364	2.625	1	3	4	Cc1cnn(C)c1C[NH2+]C(C)(C)c1cccc(C#N)c1
342603490	ZINC000617008100	mid	6.0	-45.3	1	264.373	1.25	3	2	4	Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
349536182	ZINC000594970128	mid	6.83	-8.78	0	268.364	2.625	1	4	4	Cc1cnn(C)c1CNC(C)(C)c1cccc(C#N)c1
349536185	ZINC000594970331	ref	7.16	-52.67	1	290.363	2.749	2	3	7	C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1(CO)CC1
282123874	ZINC000449157325	ref	4.12	-38.56	1	289.375	2.335	2	3	8	COC[C@H](CCO)[NH2+]Cc1cc2ccccc2cc1OC
214202144	ZINC000337658590	ref	6.15	-25.19	0	252.318	0.79	1	5	7	CC(=O)CCC(C)(C)C(=O)NCCn1cncn1
349536190	ZINC000594970601	ref	9.26	-51.82	1	280.375	2.726	1	3	4	CC(C)([NH2+]Cc1cnc2n1CCC2)c1cccc(C#N)c1
214202148	ZINC000337658117	ref	1.05	-16.38	0	285.323	-0.264	3	4	7	C[C@@H](NC(=O)NCCc1cnn(C)c1)C(=O)NCCF
197611264	ZINC000163093252	ref	4.33	-43.14	1	319.449	1.324	3	3	7	CCN1CC[NH+](C[C@@H](C)CNC(=O)Cc2ccccc2O)CC1
197611266	ZINC000163093252	mid	4.73	-40.44	1	319.449	1.324	3	3	7	CC[NH+]1CCN(C[C@@H](C)CNC(=O)Cc2ccccc2O)CC1
197611268	ZINC000163093252	high	2.35	-8.6	0	319.449	1.324	2	4	7	CCN1CCN(C[C@@H](C)CNC(=O)Cc2ccccc2O)CC1
197611270	ZINC000163095271	ref	6.05	-8.55	0	311.809	2.964	1	3	7	Cc1ccc(Cl)cc1C(=O)NCCCOC[C@@H]1CCCO1
197611272	ZINC000163095215	ref	5.3	-42.22	1	304.232	2.223	1	3	8	CC[NH2+][C@H](C)CCc1c(Br)cnn1CCOC
214202150	ZINC000337658061	ref	5.76	-12.17	0	259.357	2.011	0	5	6	CC[C@@H](C)N(Cc1ccccc1)Cc1nnnn1C
342603491	ZINC000617008100	low	5.23	-80.95	2	264.373	1.25	3	1	4	Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
178326343	ZINC000237725876	ref	7.4	-41.2	1	359.445	1.946	2	2	5	O=C(NC[C@@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1
299072540	ZINC000358088261	ref	5.67	-12.48	0	315.329	1.557	0	6	4	CC(=O)C[C@H]1COCCN1C(=O)c1cc(-c2ccccn2)no1
178326347	ZINC000237707323	ref	7.57	-49.33	1	362.499	1.662	2	4	4	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@H]3CSCC[NH2+]3)C2)nc1
178326349	ZINC000237707323	high	6.52	-21.91	0	362.499	1.662	2	5	4	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)C[C@H]3CSCCN3)C2)nc1
178326351	ZINC000237714730	ref	5.1	-56.49	1	352.442	1.965	3	4	5	Cc1[nH]c2ccccc2c1CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1
178326353	ZINC000237719178	ref	3.45	-55.71	1	363.805	1.879	2	6	3	O=C(Nc1cc2c(cc1Cl)OCCO2)c1cn(C2CC[NH2+]CC2)nn1
178326356	ZINC000237725190	ref	3.7	-55.91	1	372.238	1.576	3	2	5	O=C(CCNC(=O)c1cc(F)ccc1Br)N[C@@H]1CCC[NH2+]C1
178326357	ZINC000237724367	ref	3.01	-59.85	1	351.472	1.39	2	3	4	CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2C[C@@H]1C
230745397	ZINC000425615233	ref	4.66	-15.11	0	300.362	2.005	3	3	4	C[C@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1ccccc1
365651007	ZINC000623090882	mid	4.02	-33.86	1	319.218	1.944	2	2	7	CN(CC[N@@H+](C)CCO)Cc1cc(F)ccc1Br
365651011	ZINC000623090882	high	1.69	-4.18	0	319.218	1.944	1	3	7	CN(CCO)CCN(C)Cc1cc(F)ccc1Br
365651014	ZINC000623090991	ref	4.06	-41.44	1	305.426	1.368	2	5	8	CC(C)n1ncc2cc(CN(C)CC[N@H+](C)CCO)cnc21
230745409	ZINC000425616286	ref	8.47	-37.73	1	312.417	2.354	1	3	4	C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C[NH+](C)C)n1cccn1
230745411	ZINC000425616286	high	7.53	-9.12	0	312.417	2.354	0	4	4	C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1CN(C)C)n1cccn1
365651017	ZINC000623090991	mid	4.06	-41.4	1	305.426	1.368	2	5	8	CC(C)n1ncc2cc(CN(C)CC[N@@H+](C)CCO)cnc21
365651023	ZINC000623090991	high	1.72	-9.23	0	305.426	1.368	1	6	8	CC(C)n1ncc2cc(CN(C)CCN(C)CCO)cnc21
230745421	ZINC000425616475	ref	5.4	-18.32	0	304.306	2.417	2	5	4	COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1CC[C@H](C#N)C1
230745424	ZINC000425618479	ref	5.17	-12.96	0	315.37	2.134	1	5	4	COC(=O)c1cnc([C@H](C)NC(=O)N2CCC[C@H]2CF)s1
365651028	ZINC000623091215	ref	2.6	-39.38	1	308.422	1.485	3	4	10	C=CCc1cc(CN(C)CC[N@H+](C)CCO)cc(OC)c1O
259310079	ZINC000323047586	ref	4.65	-7.31	0	239.29	2.371	1	2	5	CC[C@@](C)(CNC(=O)c1ccc(F)cc1)OC
365651021	ZINC000274400109	ref	3.86	-11.66	0	299.317	1.506	1	3	4	C[C@@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc(F)c(F)c1
214202134	ZINC000293794457	mid	-0.72	-48.07	-1	357.432	0.565	1	5	5	C[N-]S(=O)(=O)c1cc(C(=O)N2CCCNC(=O)[C@H]2CC(C)C)co1
214202138	ZINC000293805356	ref	5.22	-27.26	0	351.476	0.801	1	4	6	CN1C(=S)N=NC1CCCNC(=O)[C@H]1CCCN(C(=O)C2CC2)C1
197611273	ZINC000163103755	ref	7.4	-20.79	0	324.38	2.592	1	4	7	CCN(CCO)C(=O)c1cccc(COc2ccccc2C#N)c1
365651026	ZINC000274398109	ref	4.39	-53.59	1	264.369	1.727	2	2	7	COc1ccccc1C[C@H](C)CC(=O)N[C@H](C)C[NH3+]
365651032	ZINC000274399763	ref	2.48	-9.55	0	283.324	1.726	1	5	6	COC(OC)c1ccc(C(=O)N[C@H](C)[C@@H]2CCOC2)o1
342603492	ZINC000617008100	low	6.47	-81.49	2	264.373	1.25	3	1	4	Cc1[nH+]c[nH]c1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214202145	ZINC000293797157	ref	7.01	-16.08	0	370.413	0.953	1	8	7	COc1ccccc1CN(CCO)C(=O)c1nnn(-c2ccn(C)n2)c1C
197611280	ZINC000163096769	ref	6.81	-15.93	0	317.349	2.391	2	5	6	Cc1cc([N+](=O)[O-])ccc1NC(=O)NCCCc1cnn(C)c1
342603493	ZINC000617008100	high	2.98	-13.92	0	264.373	1.25	2	3	4	Cc1nc[nH]c1CC(=O)NC[C@@H]1CCN1C(C)(C)C
365651037	ZINC000274400104	ref	4.28	-11.12	0	299.317	1.506	1	3	4	C[C@H](O)C[C@@H]1COCCN1C(=O)Cc1ccc(F)c(F)c1
365651041	ZINC000274399205	ref	1.38	-47.66	1	268.332	1.342	2	3	6	COCCN1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)C1
230745423	ZINC000450493711	ref	7.34	-40.61	-1	306.282	1.115	0	8	5	COC(=O)Cn1ncc([N-]c2ncc([N+](=O)[O-])c(C)n2)c1C
230745426	ZINC000450493711	mid	7.84	-14.04	0	306.282	1.115	1	9	5	COC(=O)Cn1ncc(Nc2ncc([N+](=O)[O-])c(C)n2)c1C
365651044	ZINC000274399205	mid	2.97	-37.87	1	268.332	1.342	3	3	6	COCC[N@@H+]1CC[C@H](NCc2cc(O)cc(F)c2)C1
178326344	ZINC000002525675	ref	7.58	-55.09	-1	202.209	2.953	0	3	2	Cc1ccc(-c2cccc(C(=O)[O-])c2)o1
178326348	ZINC000063339338	ref	9.2	-3.49	0	247.135	4.425	0	0	1	Cc1ccc(-c2cccc(Br)c2)cc1
197611285	ZINC000163104330	ref	2.84	-9.63	0	322.271	3.1	0	7	5	CC(C)c1noc(OCc2nc(-c3ccc(F)c(F)c3)no2)n1
197611289	ZINC000163106192	ref	4.2	-15.6	0	320.418	1.706	1	4	5	COc1ccc(C(C)(C)C(=O)NCC2N=NC(=S)N2C)cc1
197611291	ZINC000163103413	ref	6.92	-8.07	0	316.445	3.283	2	2	4	Cc1ccccc1C1(CNC(=O)N[C@@H]2CCOC(C)(C)C2)CC1
259310080	ZINC000526045488	ref	7.82	-9.66	0	235.352	2.752	0	2	2	Cc1sccc1CC(=O)N1C2CCC1CC2
398250065	ZINC000635661254	ref	0.87	-15.48	0	253.298	1.315	2	4	4	CO[C@H]1C[C@H](NC(=O)c2coc(CO)c2)C1(C)C
214202136	ZINC000053849721	ref	5.01	-13.86	0	337.788	2.632	1	6	4	O=C(CSc1ncccn1)Nc1cc2c(cc1Cl)OCCO2
398250067	ZINC000650876473	ref	4.87	-17.24	0	297.399	1.205	1	3	3	CC[C@@H]1CN(C(=O)N[C@H]2CCN(C(C)C)C2=O)[C@@H](C)CO1
214202139	ZINC000053867282	ref	4.49	-15.19	0	332.316	0.728	1	7	7	COCCn1nc(C(=O)NCc2ccccc2[N+](=O)[O-])ccc1=O
214202146	ZINC000053886104	ref	7.01	-9.7	0	334.416	3.509	0	4	3	COC1CCN(C(=O)c2sc(-c3ccc(F)cc3)nc2C)CC1
342090591	ZINC000121993553	ref	4.99	-9.41	0	297.286	1.626	2	4	5	Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NCCCF
178328131	ZINC000237751467	ref	4.75	-59.98	1	357.41	1.029	2	4	4	Cc1c(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c(=O)oc2ccccc12
178328134	ZINC000237755508	ref	3.34	-8.9	0	369.918	1.962	3	4	6	O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1CSCN1
178328138	ZINC000237755508	mid	7.13	-97.23	2	369.918	1.962	3	3	6	O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1CSC[NH2+]1
214202152	ZINC000053855739	ref	6.55	-14.41	0	340.21	3.244	2	3	3	O=C(Cc1nc2c(Cl)cc(Cl)cc2c(=O)[nH]1)NC1CCCC1
178328139	ZINC000237755508	high	3.34	-8.9	0	369.918	1.962	2	5	6	O=C(NC1CCN(CCOc2ccc(Cl)cc2)CC1)[C@H]1CSCN1
178328142	ZINC000237743507	ref	5.56	-37.96	1	350.484	1.874	2	4	6	Cc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c(O[C@@H]2CCOC2)c1
185091636	ZINC000077068040	ref	9.86	-6.99	0	300.427	5.187	1	4	5	CCc1c(-c2csc(NCC(C)C)n2)oc2ccccc12
136230326	ZINC000295636021	ref	6.48	-8.73	0	241.29	1.84	1	2	5	C#CCCOc1ccc(C(=O)N[C@@H](C)C#C)cc1
192340813	ZINC000421454324	ref	6.42	-11.39	0	249.358	2.218	1	3	3	C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)c1ccnn1C
342090592	ZINC000609096566	ref	6.85	-14.74	0	279.34	1.15	0	5	3	CCc1c(C(=O)N2CCCC[C@@H]2C(=O)OC)cnn1C
342090593	ZINC000609099898	ref	5.14	-12.81	0	285.347	1.386	0	4	2	N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCOCC2)cc1
342090594	ZINC000616319410	ref	2.59	-14.91	0	278.352	1.583	2	3	3	CCc1c[nH]c(=O)c(C(=O)N2CCC[C@@H](CO)[C@@H]2C)c1
342090595	ZINC000616319409	ref	2.68	-23.22	0	278.352	1.583	2	3	3	CCc1c[nH]c(=O)c(C(=O)N2CCC[C@H](CO)[C@@H]2C)c1
342090596	ZINC000200546126	ref	11.5	-10.45	0	295.281	1.999	2	7	3	N#Cc1ccc(-n2nc(Nc3ccccc3F)nc2N)nc1
342090597	ZINC000623725500	ref	7.02	-85.41	2	296.459	1.5	4	1	6	C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+](C)C1CC1
230745416	ZINC000414374201	ref	8.83	-10.13	0	301.411	3.399	0	2	5	CCN(c1ccccc1)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
178326350	ZINC000038071754	ref	8.77	-5.32	0	210.276	3.783	0	1	2	Cc1ccc(-c2ccccc2C=O)c(C)c1
185091638	ZINC000096081095	ref	8.01	-41.5	1	293.414	2.645	1	2	4	c1ccc(C[NH+]2C[C@@H]3CN(Cc4ccncc4)C[C@H]3C2)cc1
282123873	ZINC000248986667	ref	-0.29	-12.77	0	316.423	1.363	2	6	7	CO[C@H](C)c1nc(C)c(C(=O)N(C[C@@H](C)O)[C@H](C)CO)s1
282123878	ZINC000248982490	ref	5.18	-36.41	1	310.825	1.701	3	2	6	C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(Cl)cc2)[C@H]1CO
230745419	ZINC000414373938	ref	7.72	-13.73	0	320.364	3.326	0	3	5	CCC[C@]12CCCN1C(=O)N(c1ccc(OCC)cc1F)C2=O
222609756	ZINC000125796495	ref	0.21	-16.13	0	346.474	1.583	2	4	6	CCC1(CNS(=O)(=O)c2cccc(S(N)(=O)=O)c2)CCCC1
230745422	ZINC000414373368	ref	7.38	-6.55	0	301.308	3.151	0	3	3	COC(=O)[C@H]1CCCN1Cc1ccc(C(F)(F)F)c(C)c1
342090598	ZINC000623725500	mid	7.21	-84.95	2	296.459	1.5	4	1	6	C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+](C)C1CC1
214202143	ZINC000278511740	ref	5.34	-14.09	0	312.435	1.681	0	4	2	Cc1cc(C(=O)N2CCCC[C@H](S(C)(=O)=O)C2)c(C)n1C
178326352	ZINC000040174811	ref	9.31	-6.84	0	207.276	3.842	0	1	1	Cc1ccc(-c2ccccc2C#N)c(C)c1
178326354	ZINC000065349821	ref	10.36	-53.43	-1	240.302	3.977	0	2	2	Cc1ccc(-c2cccc(C)c2C(=O)[O-])c(C)c1
398250068	ZINC000093611568	mid	5.48	-38.83	1	249.276	2.342	2	1	2	O[C@]1(C(F)(F)F)CC[N@@H+](C[C@H]2CC=CCC2)C1
178326358	ZINC000065350046	ref	9.55	-50.76	-1	244.265	3.808	0	2	2	Cc1ccc(-c2cccc(F)c2C)c(C(=O)[O-])c1
230745425	ZINC000414373368	mid	9.7	-42.22	1	301.308	3.151	1	2	3	COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(F)(F)F)c(C)c1
230745428	ZINC000414373368	mid	9.35	-38.79	1	301.308	3.151	1	2	3	COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(F)(F)F)c(C)c1
398250073	ZINC000647170665	ref	6.64	-45.38	1	245.326	1.644	1	3	4	C[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3n2)CO1
178326361	ZINC000084005792	ref	8.58	-54.25	-1	218.277	3.422	0	3	2	Cc1ccc(-c2ccccc2C(=O)[O-])s1
178326363	ZINC000067739720	ref	4.07	-44.31	1	241.294	1.714	1	3	2	Cc1ccc(-c2cccc3c2O[C@@H](C[NH3+])C3)nn1
230745431	ZINC000414374602	ref	6.28	-6.52	0	314.408	3.255	1	4	5	CCc1ncc(CN2CCC(Nc3ccc(F)cc3)CC2)cn1
230745434	ZINC000414374602	mid	8.71	-51.7	1	314.408	3.255	2	3	5	CCc1ncc(C[NH+]2CCC(Nc3ccc(F)cc3)CC2)cn1
178326366	ZINC000065340293	ref	6.56	-5.31	0	216.255	3.815	1	1	1	Cc1ccc(-c2cccc(F)c2C)cc1O
365651033	ZINC000623091215	mid	2.58	-39.17	1	308.422	1.485	3	4	10	C=CCc1cc(CN(C)CC[N@@H+](C)CCO)cc(OC)c1O
214202147	ZINC000278511144	ref	6.81	-56.03	1	324.465	2.542	1	3	6	Fc1cccc([C@H](C[NH2+]C[C@H]2CCSC2)N2CCOCC2)c1
168365748	ZINC000309490607	high	1.59	-9.0	0	236.381	0.904	1	3	8	CCC(CC)CS(=O)(=O)N(C)CCNC
168365753	ZINC000037048416	ref	4.05	-4.34	0	207.317	3.027	2	2	6	CCC(CC)CNc1cccc(CO)c1
342603494	ZINC000617007091	ref	4.7	-45.32	1	284.791	1.525	2	3	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc(Cl)cn1
342603495	ZINC000617007091	mid	6.26	-44.82	1	284.791	1.525	2	3	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cc(Cl)cn1
168365755	ZINC000354507185	ref	5.44	-9.24	0	247.404	2.627	0	2	6	CCC(CC)CS(=O)(=O)N1CCC[C@H]1CC
168365759	ZINC000354614605	ref	5.52	-7.94	0	247.404	2.484	0	2	5	CCC(CC)CS(=O)(=O)N1CCC[C@H](C)C1
282123875	ZINC000533475363	ref	5.24	-31.96	1	270.417	1.726	2	2	6	CC[C@H](C(=O)N1CCC[C@H]([C@@H](C)O)C1)[NH+](CC)CC
342603496	ZINC000617007091	high	3.35	-14.52	0	284.791	1.525	1	4	4	CC(C)(C)N1CC[C@@H]1CNC(=O)Cn1cc(Cl)cn1
365651036	ZINC000623091215	mid	2.55	-45.25	1	308.422	1.485	3	4	10	C=CCc1cc(C[N@H+](C)CCN(C)CCO)cc(OC)c1O
365651038	ZINC000623091215	mid	2.57	-45.16	1	308.422	1.485	3	4	10	C=CCc1cc(C[N@@H+](C)CCN(C)CCO)cc(OC)c1O
214202154	ZINC000278509918	ref	10.85	-113.75	2	303.406	2.867	2	2	6	Cc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-]
398250069	ZINC000183637387	ref	2.27	-46.53	1	239.294	1.383	2	2	5	C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cncc(F)c1
342603497	ZINC000617007055	ref	4.86	-39.96	1	282.363	1.455	2	3	5	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cnn(CCF)c1
342603498	ZINC000617007055	mid	6.41	-39.62	1	282.363	1.455	2	3	5	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cnn(CCF)c1
342603499	ZINC000617007055	high	3.51	-9.59	0	282.363	1.455	1	4	5	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cnn(CCF)c1
365651040	ZINC000623091215	high	0.25	-7.48	0	308.422	1.485	2	5	10	C=CCc1cc(CN(C)CCN(C)CCO)cc(OC)c1O
398250077	ZINC000183637387	high	1.35	-8.9	0	239.294	1.383	2	3	5	C[C@@H](NCC(C)(C)C(N)=O)c1cncc(F)c1
398250085	ZINC000183638265	ref	3.37	-8.87	0	200.625	1.446	1	2	1	O=C(c1cc(Cl)c[nH]1)N1CCCO1
349536180	ZINC000621244426	high	4.0	-9.92	0	289.37	2.205	2	2	6	C[C@@H]1CCCCN1CCNC(=O)NCC[C@H]1CC1(F)F
168365763	ZINC000083347190	ref	6.41	-4.36	0	212.724	3.583	1	2	5	CCC(CC)CNc1cccc(Cl)n1
259310081	ZINC000394222703	ref	3.96	-32.38	1	225.332	1.113	2	2	4	CO[C@@H]1[C@H]2C[C@@H]3C[N@H+](CC[C@@H](C)O)[C@@H]1[C@H]3C2
398250091	ZINC000095496352	ref	9.0	-48.67	-1	246.262	1.594	0	4	5	C#CC[C@@H](C(=O)OC)c1ccc(CC(=O)[O-])cc1
197611293	ZINC000163098934	ref	8.47	-10.86	0	304.394	2.891	1	6	9	COC(=O)CCCCCCCNc1nnc(C)c(C)c1C#N
342603500	ZINC000590870319	ref	5.11	-11.17	0	273.373	1.584	1	4	6	COC(=O)CC(C)(C)CC(=O)N(C)[C@@H](C)C(C)(C)O
168365749	ZINC000368508876	mid	6.68	-9.37	0	341.48	3.265	2	4	5	Cc1ccc(-c2csc(CN[C@H]3CCC(=O)N[C@@H]3C3CC3)n2)cc1
299072541	ZINC000354604622	ref	2.96	-16.42	0	334.372	0.82	1	5	7	CCOc1cccc2c1OCC(C(=O)N(C)[C@H](COC)C(N)=O)=C2
365651042	ZINC000641615731	ref	6.18	-20.87	0	289.379	1.547	1	4	5	CCN(C)C(=O)[C@@H](Nc1ccc2c(n1)C(=O)CC2)C(C)C
365651047	ZINC000641615446	ref	4.68	-15.5	0	268.32	1.385	1	5	4	Cc1nccnc1CCNc1ccc2c(n1)C(=O)CC2
342603501	ZINC000617006998	ref	2.21	-35.04	1	265.357	1.894	2	3	3	Cc1nc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(C)o1
342603502	ZINC000617006998	mid	3.46	-34.83	1	265.357	1.894	2	3	3	Cc1nc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c(C)o1
365651054	ZINC000641615750	ref	3.56	-15.25	0	274.324	1.593	1	5	3	COC[C@]1(C)CCN(c2ccc3nc[nH]c(=O)c3n2)C1
365651059	ZINC000641615696	ref	2.6	-9.45	0	286.335	1.245	2	5	7	CO[C@H](CNc1nccnc1C(N)=O)Cc1ccccc1
365651067	ZINC000641614948	ref	0.59	-8.53	0	252.318	1.048	2	5	7	CC[C@H](C)[C@@H](CNc1nccnc1C(N)=O)OC
342603503	ZINC000617006998	mid	0.45	-7.8	0	265.357	1.894	1	4	3	Cc1nc(C(=O)NC[C@@H]2CCN2C(C)(C)C)c(C)o1
214202149	ZINC000293793625	ref	5.4	-53.21	-1	367.471	0.905	0	5	7	Cc1cccc(N2CCN(S(=O)(=O)CC(=O)[N-]OCC3CC3)CC2)c1
230745446	ZINC000450495113	ref	2.84	-10.31	0	313.781	1.708	1	5	4	COC(=O)c1ccc(CN2C[C@@H](CO)OC[C@@H]2C)cc1Cl
214202156	ZINC000293798399	ref	-1.96	-23.12	0	371.459	0.477	4	5	11	NS(=O)(=O)CCCCCCC(=O)NCCNC(=O)c1ccc(O)cc1
214202164	ZINC000293798399	high	-1.19	-57.23	-1	371.459	0.477	3	5	11	NS(=O)(=O)CCCCCCC(=O)NCCNC(=O)c1ccc([O-])cc1
365651073	ZINC000641615694	ref	2.13	-9.66	0	286.335	1.245	2	5	7	CO[C@@H](CNc1nccnc1C(N)=O)Cc1ccccc1
365651080	ZINC000641615073	ref	3.41	-6.5	0	260.341	1.592	1	4	3	NC(=O)c1cc(N2CC(C3CCCCC3)C2)ncn1
365651086	ZINC000641617563	ref	2.46	-10.5	0	291.413	1.146	1	4	9	COC[C@@H](CS(=O)(=O)NC(C)(C1CC1)C1CC1)OC
342603504	ZINC000590881178	ref	4.28	-11.2	0	284.699	1.843	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1cc(Cl)cc([N+](=O)[O-])c1
365651097	ZINC000641615343	ref	4.24	-40.39	1	289.383	1.03	2	4	2	C[N@@H+]1CCN(c2cc(C(N)=O)ncn2)CC12CCCCC2
219048797	ZINC000350699838	ref	7.7	-37.44	1	272.392	2.218	2	1	5	C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H]2CCC[C@@H]21
349536184	ZINC000621245373	ref	4.26	-7.17	0	263.341	2.011	1	3	4	COc1nc(C)cc(C)c1CN(C)C(=O)NC1CC1
230745438	ZINC000414376484	ref	8.12	-10.16	0	323.364	3.287	0	2	4	CN(c1cc(F)ccc1F)S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1
349536188	ZINC000621245929	ref	3.73	-33.37	1	265.357	2.342	1	4	4	COCC1(c2nc([C@H]3CCC[NH2+]3)no2)CCCCC1
178326360	ZINC000237710590	ref	4.64	-50.94	1	351.834	1.893	2	4	3	O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H]1COCCN1
178326362	ZINC000237710590	low	4.64	-50.94	1	351.834	1.893	2	3	3	O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@@H]1COCC[NH2+]1
214202153	ZINC000337658061	low	7.43	-50.22	1	259.357	2.011	1	4	6	CC[C@@H](C)[N@@H+](Cc1ccccc1)Cc1nnnn1C
214202155	ZINC000337658061	low	7.26	-48.9	1	259.357	2.011	1	4	6	CC[C@@H](C)[N@H+](Cc1ccccc1)Cc1nnnn1C
178328133	ZINC000047216738	ref	7.4	-4.72	0	203.672	3.71	0	1	1	Cc1ccc(-c2ccncc2)c(Cl)c1
365651043	ZINC000124396134	ref	6.68	-19.3	0	297.42	2.072	0	3	6	CCS(=O)(=O)C[C@@H](C)N(C)C(=O)[C@H](C)c1ccccc1
219048801	ZINC000350699838	mid	8.44	-35.95	1	272.392	2.218	2	1	5	C[C@H](C(=O)NCCc1ccccc1)[N@H+]1C[C@H]2CCC[C@@H]21
349536192	ZINC000621245929	mid	2.39	-6.7	0	265.357	2.342	1	5	4	COCC1(c2nc([C@H]3CCCN3)no2)CCCCC1
349536198	ZINC000621246164	ref	2.86	-37.68	1	267.72	2.031	1	5	3	CCn1ncc(Cl)c1-c1nc([C@@H]2CCC[NH2+]2)no1
219048804	ZINC000350699838	mid	4.24	-10.24	0	272.392	2.218	1	2	5	C[C@H](C(=O)NCCc1ccccc1)N1C[C@H]2CCC[C@@H]21
219048806	ZINC000350696779	ref	8.36	-9.52	0	294.326	3.241	0	3	3	CC(C)[C@@H]1N(C(=O)c2cc(F)cc([N+](=O)[O-])c2)CC1(C)C
214202159	ZINC000337659124	ref	6.45	-16.06	0	254.334	0.845	1	5	8	CCO[C@@H](CC(=O)NCCn1cncn1)C(C)C
343995700	ZINC000079981476	ref	5.96	-13.01	0	266.389	2.317	2	3	8	Cc1nccn1CCCNC(=O)NCCCC(C)C
365651051	ZINC000124410033	ref	5.12	-42.39	-1	293.396	2.26	0	5	5	CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)s1
214202163	ZINC000337657659	ref	5.41	-42.88	1	294.399	2.083	3	3	8	CCC(CC)c1cc(CNC(=O)NCC[NH+]2CCC2)on1
214202165	ZINC000337657659	mid	2.22	-9.88	0	294.399	2.083	2	4	8	CCC(CC)c1cc(CNC(=O)NCCN2CCC2)on1
214202170	ZINC000337657844	ref	3.86	-6.21	0	281.4	3.145	0	5	6	CCCC[C@H](C)c1nc([C@H]2CN(C(C)C)CCO2)no1
219048809	ZINC000350702225	ref	-2.01	-13.53	0	284.278	-0.318	2	4	5	CN(C[C@H](O)CO)C(=O)[C@H]1CCN(CC(F)(F)F)C1
398250070	ZINC000650876186	ref	3.45	-6.33	0	281.4	1.337	3	2	7	C[C@@H](COCC1CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1
342603505	ZINC000590870303	ref	5.46	-13.29	0	297.326	1.844	1	4	4	COC(=O)c1ccc(C(=O)N(C)[C@@H](C)C(C)(C)O)cc1F
398250072	ZINC000650876186	mid	5.77	-37.35	1	281.4	1.337	3	2	7	C[C@@H](COCC1CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1
365651045	ZINC000623089695	ref	3.22	-8.57	0	316.4	1.495	1	6	6	CC(C)(C)n1nnc(CNCC2CCN(CC(F)F)CC2)n1
168367612	ZINC000368524524	ref	7.74	-16.26	0	342.798	3.483	2	3	4	O=C(NO[C@H]1CCCCO1)NC1CC(c2ccc(F)c(Cl)c2)C1
214202166	ZINC000053846171	ref	8.19	-17.49	0	326.444	2.477	0	4	3	Cc1ccc2nc(CN3CCC(C(=O)N4CCCC4)CC3)cn2c1
214202169	ZINC000053846171	mid	10.96	-43.47	1	326.444	2.477	1	3	3	Cc1ccc2nc(C[NH+]3CCC(C(=O)N4CCCC4)CC3)cn2c1
342603506	ZINC000590881162	ref	5.38	-14.78	0	296.348	1.669	1	5	4	C[C@@H]1[C@H](O)CCN1C(=O)CSc1ccc([N+](=O)[O-])cc1
342603507	ZINC000617007092	ref	6.18	-42.6	1	284.791	1.525	2	3	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)Cn1cc(Cl)cn1
214202174	ZINC000053885853	ref	7.97	-12.14	0	344.459	3.387	0	5	4	COC1CCN(C(=O)c2cc(C(C)C)nc3c2cnn3C(C)C)CC1
214202179	ZINC000053886062	ref	9.87	-11.59	0	326.44	3.404	0	3	4	COC1CCN(C(=O)c2cc(C)n(Cc3ccccc3)c2C)CC1
342603508	ZINC000617007092	mid	4.69	-45.11	1	284.791	1.525	2	3	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)Cn1cc(Cl)cn1
342603509	ZINC000617007092	high	3.14	-12.93	0	284.791	1.525	1	4	4	CC(C)(C)N1CC[C@H]1CNC(=O)Cn1cc(Cl)cn1
365651048	ZINC000623089695	mid	4.46	-42.56	1	316.4	1.495	1	5	6	CC(C)(C)n1nnc(C[NH2+]CC2CCN(CC(F)F)CC2)n1
197611301	ZINC000290148223	ref	6.08	-11.24	0	277.393	2.407	1	4	6	CCc1c(C(=O)NCCCc2nccs2)ccn1C
214202183	ZINC000053856051	ref	5.68	-16.12	0	327.315	2.252	2	4	4	COc1ccccc1NC(=O)Cc1nc2ccc(F)cc2c(=O)[nH]1
214202189	ZINC000053868657	ref	9.71	-15.76	0	342.395	3.251	1	4	10	O=C(CCCOCCc1ccccc1)NCc1ccccc1[N+](=O)[O-]
214202197	ZINC000053876390	ref	6.74	-44.87	1	325.294	3.789	1	1	4	CN(Cc1ccccc1Br)C[C@H]1CCCCC[C@@H]1[NH3+]
365651052	ZINC000623089695	low	7.12	-101.0	2	316.4	1.495	2	4	6	CC(C)(C)n1nnc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)n1
214202203	ZINC000053876390	low	8.76	-117.59	2	325.294	3.789	2	0	4	C[N@@H+](Cc1ccccc1Br)C[C@H]1CCCCC[C@@H]1[NH3+]
259310082	ZINC000394222703	mid	3.92	-33.12	1	225.332	1.113	2	2	4	CO[C@@H]1[C@H]2C[C@@H]3C[N@@H+](CC[C@@H](C)O)[C@@H]1[C@H]3C2
365651049	ZINC000576649708	high	5.22	-6.52	0	235.375	3.085	2	2	3	Cc1nc(CN[C@H]2CCCC(C)(C)C2)[nH]c1C
178326364	ZINC000237721029	ref	7.65	-107.56	2	360.502	1.002	3	3	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[NH2+]CCO3)CC2)c1
365651055	ZINC000576649738	ref	4.22	-8.76	0	239.237	1.966	0	2	2	CCC(=O)N1CCC(OC)(C(F)(F)F)CC1
178326365	ZINC000237721029	mid	6.3	-51.9	1	360.502	1.002	3	4	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3CNCCO3)CC2)c1
178326367	ZINC000237721029	high	4.1	-13.46	0	360.502	1.002	2	5	7	Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3CNCCO3)CC2)c1
178326369	ZINC000237712014	ref	3.24	-12.58	0	351.834	1.893	2	4	3	O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H]1COCCN1
168365752	ZINC000368507815	ref	6.83	-21.68	0	341.415	3.016	0	6	3	CC1(C)CC(C(=O)N2CCCC[C@@H]2c2nc(-c3ncccn3)no2)C1
178326371	ZINC000237712014	low	4.63	-50.61	1	351.834	1.893	2	3	3	O=C(Nc1ccc(C(=O)N2CCCCC2)c(Cl)c1)[C@H]1COCC[NH2+]1
214202160	ZINC000278509739	ref	10.33	-52.15	1	322.449	2.266	1	2	4	O=C(Cc1ccccc1F)N1CC[NH+](C[C@@H]2CCSC2)CC1
214202162	ZINC000278509739	mid	8.31	-11.23	0	322.449	2.266	0	3	4	O=C(Cc1ccccc1F)N1CCN(C[C@@H]2CCSC2)CC1
178326374	ZINC000237724203	ref	3.66	-59.32	1	365.499	1.78	2	3	4	CC(=O)N1c2ccc(S(=O)(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2C[C@@H]1C
398250071	ZINC000651472113	ref	6.21	-8.33	0	282.746	3.234	1	3	4	C[C@H](CCO)N(C)c1ccc2cc(F)cc(Cl)c2n1
185091640	ZINC000096081095	low	10.6	-114.25	2	293.414	2.645	2	1	4	c1ccc(C[NH+]2C[C@@H]3C[NH+](Cc4ccncc4)C[C@H]3C2)cc1
214202167	ZINC000278510741	ref	7.89	-47.5	1	320.433	1.991	2	3	7	Cc1ccc(OCC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1
214202171	ZINC000278510741	mid	7.9	-48.72	1	320.433	1.991	2	3	7	Cc1ccc(OCC(=O)NCCC[N@H+]2CCCO[C@@H](C)C2)cc1
168367613	ZINC000354619221	mid	3.63	-46.49	1	248.392	1.046	2	2	6	CCC(CC)CS(=O)(=O)N[C@H]1CC[N@@H+](C)C1
214202173	ZINC000278510741	high	5.81	-12.66	0	320.433	1.991	1	4	7	Cc1ccc(OCC(=O)NCCCN2CCCO[C@@H](C)C2)cc1
214202177	ZINC000278510090	ref	4.64	-50.15	1	323.433	2.593	2	4	8	CCOC1CC(O)(C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)C1
214202181	ZINC000278511929	ref	3.6	-17.3	0	321.358	1.095	0	7	3	COC(=O)C[C@@H]1CN(C(=O)c2nc3cccnc3s2)CCO1
349536191	ZINC000621500064	ref	8.68	-11.64	0	294.345	3.434	1	1	4	C[C@@H]1CN(C(=O)NCC[C@@H]2CC2(F)F)[C@@H]1c1ccccc1
365651050	ZINC000274399205	mid	2.71	-37.57	1	268.332	1.342	3	3	6	COCC[N@H+]1CC[C@H](NCc2cc(O)cc(F)c2)C1
342603510	ZINC000617007176	ref	2.71	-36.81	1	284.4	1.171	2	3	4	COC1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOCC1
230745456	ZINC000425622147	ref	4.43	-16.22	0	321.333	2.316	2	5	6	C=C[C@@H]1OCC[C@H]1CNC(=O)Nc1cc([N+](=O)[O-])ccc1OC
230745459	ZINC000425619734	ref	4.71	-17.39	0	320.437	2.002	2	3	4	CC(C)(C[C@H]1CCCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1)C(N)=O
197611305	ZINC000290146155	ref	5.23	-6.6	0	288.347	2.539	0	5	4	CO[C@]1(c2nc(Cc3cc(C)cc(C)c3)no2)CCOC1
199273369	ZINC000181259768	ref	8.42	-18.74	0	301.35	1.857	2	5	4	Cn1ncnc1NC(=O)N[C@H](c1ccccc1)[C@@H]1CCCO1
197611308	ZINC000290146112	ref	5.84	-46.94	1	276.384	1.124	1	3	3	CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](c2cnn(C)c2)C1
342603511	ZINC000617007176	mid	3.9	-35.79	1	284.4	1.171	2	3	4	COC1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOCC1
342603512	ZINC000617007176	high	0.82	-5.4	0	284.4	1.171	1	4	4	COC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOCC1
342603513	ZINC000590881234	ref	3.86	-13.42	0	268.244	1.329	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1F
342603514	ZINC000590881197	ref	3.8	-12.35	0	281.283	1.208	1	4	2	COC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1F
342603515	ZINC000617007188	ref	4.04	-38.16	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C
214202168	ZINC000293798834	ref	3.24	-17.82	0	370.471	0.956	0	5	8	COCCOCc1ccc(C(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)cc1
365651056	ZINC000274400183	ref	4.38	-18.47	0	276.34	1.5	2	4	5	C[C@@H](CC(=O)Nc1cncnc1)NC(=O)C1CCCC1
365651064	ZINC000274399097	ref	4.41	-41.36	1	290.363	1.422	2	3	7	C[C@H](O)CC[NH2+][C@@H](C)CCN1C(=O)c2ccccc2C1=O
365651069	ZINC000274399643	ref	4.08	-10.9	0	292.383	1.82	2	3	2	Cc1n[nH]cc1CNC(=O)N1CCCC2(CCOCC2)C1
259310083	ZINC000323044913	ref	3.85	-12.75	0	232.287	1.198	2	4	4	CNC(=O)C[C@H](C)Nc1nc(C)ccc1C#N
299072542	ZINC000567668752	ref	8.41	-50.01	1	290.407	2.398	1	2	4	CC(C)c1ccccc1OCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1
342603516	ZINC000617007188	mid	5.29	-37.57	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C
214202176	ZINC000293800180	ref	2.76	-17.63	0	355.412	0.869	0	6	6	COC[C@H]1CCN1C(=O)CCS(=O)(=O)c1ccc2c(c1)OCCO2
214202180	ZINC000293803967	ref	7.84	-20.5	0	359.426	0.99	1	6	8	CCOCC(C)(C)NC(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O
178326368	ZINC000038078181	ref	7.11	-4.61	0	217.699	3.898	1	1	1	Cc1ccc(-c2ccccc2Cl)cc1N
178326370	ZINC000065349767	ref	10.06	-50.98	-1	240.302	3.977	0	2	2	Cc1ccc(-c2cccc(C)c2C)c(C(=O)[O-])c1
178326372	ZINC000062948390	ref	8.04	-40.66	1	240.35	3.555	1	1	4	Cc1ccc(-c2cccc(C[NH2+]C(C)C)c2)cn1
168365765	ZINC000020004786	ref	7.95	-2.78	0	245.288	4.554	1	1	5	CCC(CC)CNc1ccccc1C(F)(F)F
168365767	ZINC000021057768	ref	7.04	-2.66	0	213.271	3.813	1	1	5	CCC(CC)CNc1ccc(F)cc1F
178326373	ZINC000041230787	ref	7.07	-4.31	0	217.699	3.898	1	1	1	Cc1ccc(-c2cccc(Cl)c2)cc1N
136230327	ZINC000295471410	ref	5.23	-50.14	-1	213.277	1.119	0	3	7	C#CCO[C@H](C)C(=O)[N-]OC[C@@H](C)CC
365651057	ZINC000623090257	ref	6.28	-42.69	1	320.412	1.582	2	4	8	CN(CC[N@H+](C)CCO)Cc1cn(C)nc1-c1ccc(F)cc1
214202172	ZINC000337657844	low	6.12	-34.83	1	281.4	3.145	1	4	6	CCCC[C@H](C)c1nc([C@H]2C[N@@H+](C(C)C)CCO2)no1
214202175	ZINC000337657844	low	5.67	-35.05	1	281.4	3.145	1	4	6	CCCC[C@H](C)c1nc([C@H]2C[N@H+](C(C)C)CCO2)no1
136230328	ZINC000295477909	ref	5.51	-53.03	1	210.277	-0.203	1	2	4	C#CCO[C@H](C)C(=O)N1CC([NH+](C)C)C1
365651060	ZINC000623090257	mid	6.27	-42.85	1	320.412	1.582	2	4	8	CN(CC[N@@H+](C)CCO)Cc1cn(C)nc1-c1ccc(F)cc1
259310084	ZINC000400955675	ref	2.38	-42.33	1	228.336	0.607	3	2	6	CCNC(=O)CC[NH+]1CCC(CCO)CC1
178326376	ZINC000065340358	ref	6.39	-10.01	0	227.238	3.378	1	2	1	Cc1ccc(-c2cccc(C#N)c2F)cc1O
178326377	ZINC000090413438	ref	9.1	-3.6	0	247.135	4.425	0	0	1	Cc1ccc(-c2ccccc2)cc1Br
214202178	ZINC000337658063	ref	4.89	-12.33	0	259.357	2.011	0	5	6	CC[C@H](C)N(Cc1ccccc1)Cc1nnnn1C
178326380	ZINC000095727236	ref	7.2	-5.22	0	226.319	3.505	1	1	3	Cc1ccc(-c2cccc(CCO)c2)cc1C
178326382	ZINC000065350300	ref	9.48	-51.28	-1	246.693	4.014	0	2	2	Cc1ccc(-c2ccccc2Cl)c(C(=O)[O-])c1
342090599	ZINC000623725500	mid	7.05	-84.05	2	296.459	1.5	4	1	6	C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@H+](C)C1CC1
178326386	ZINC000062948329	ref	5.5	-47.63	1	212.296	3.077	1	1	2	Cc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cn1
136230329	ZINC000295477909	mid	3.11	-13.53	0	210.277	-0.203	0	3	4	C#CCO[C@H](C)C(=O)N1CC(N(C)C)C1
178326388	ZINC000040174815	ref	6.56	-5.62	0	212.292	3.463	1	1	2	Cc1ccc(-c2cccc(CO)c2)c(C)c1
342090600	ZINC000623725500	mid	7.02	-85.41	2	296.459	1.5	4	1	6	C[C@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@@H+](C)C1CC1
342090601	ZINC000623725500	high	4.94	-38.83	1	296.459	1.5	3	2	6	C[C@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N(C)C1CC1
214202182	ZINC000337658063	low	7.37	-49.81	1	259.357	2.011	1	4	6	CC[C@H](C)[N@@H+](Cc1ccccc1)Cc1nnnn1C
214202184	ZINC000337658063	low	7.4	-47.55	1	259.357	2.011	1	4	6	CC[C@H](C)[N@H+](Cc1ccccc1)Cc1nnnn1C
295667009	ZINC000154265682	ref	4.41	-13.82	0	336.523	1.694	1	4	4	CS[C@H]1CCCCN(C(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)C1
342603517	ZINC000617007188	high	2.26	-8.18	0	298.427	1.417	1	4	5	CO[C@@H]1COCC[C@@H]1CC(=O)NC[C@@H]1CCN1C(C)(C)C
295667012	ZINC000412202631	ref	3.75	-8.5	0	301.456	1.813	2	3	3	CS[C@H]1CCCCN(C(=O)[C@H](NC(N)=O)C(C)(C)C)C1
365651058	ZINC000124410033	mid	5.1	-42.39	-1	293.396	2.26	0	5	5	CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)s1
365651063	ZINC000124410033	mid	5.12	-11.14	0	293.396	2.26	1	5	5	CC(C)c1ccc(C(=O)N(C)C[C@H](C)c2nn[nH]n2)s1
197611307	ZINC000163104984	ref	7.3	-11.02	0	318.398	3.036	1	5	4	COC(=O)c1cc(C)ccc1NC(=O)Cc1nc(C)sc1C
214202193	ZINC000337661141	ref	9.17	-32.75	1	295.43	3.351	1	2	5	CC[C@@H](c1ccccc1)[NH+]1CCN(Cc2ccccn2)CC1
214202194	ZINC000337661141	high	6.88	-4.98	0	295.43	3.351	0	3	5	CC[C@@H](c1ccccc1)N1CCN(Cc2ccccn2)CC1
214202198	ZINC000337658169	ref	3.86	-7.96	0	263.328	2.193	2	2	5	CC(C)[C@@H](CO)C(=O)NC[C@H]1CCCC(F)(F)C1
214202202	ZINC000337660296	ref	7.86	-14.98	0	291.395	2.257	1	2	6	CCCNC(=O)N(C)CC(=O)N(C)[C@H](C)c1ccccc1
342603518	ZINC000590870302	ref	5.7	-14.44	0	297.326	1.844	1	4	4	COC(=O)c1ccc(C(=O)N(C)[C@H](C)C(C)(C)O)cc1F
342603519	ZINC000590870396	ref	6.93	-15.89	0	296.754	1.916	1	4	4	COC(=O)[C@@H]1CCCN1C(=O)CNc1ccccc1Cl
342603520	ZINC000590881145	ref	4.44	-16.81	0	264.281	1.499	1	4	2	Cc1cc(C(=O)N2CC[C@@H](O)[C@H]2C)cc([N+](=O)[O-])c1
342603521	ZINC000617007132	ref	3.55	-37.42	1	281.356	1.676	2	4	5	CCOc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)on1
342603522	ZINC000617007132	mid	2.44	-38.17	1	281.356	1.676	2	4	5	CCOc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)on1
214202207	ZINC000337658621	ref	8.95	-15.44	0	278.4	2.391	1	4	7	CCCCC1CCC(C(=O)NCCn2cncn2)CC1
342603523	ZINC000617007132	mid	0.55	-5.77	0	281.356	1.676	1	5	5	CCOc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)on1
197611322	ZINC000163102469	ref	6.49	-41.3	1	301.434	2.502	2	2	5	CC1(C)[C@@H]2CC[C@@]1(C)[C@H]([NH2+]CC(=O)NCc1cccnc1)C2
398250074	ZINC000651471403	ref	6.18	-6.44	0	262.378	3.017	1	4	5	C[C@@H](CCO)N(C)c1ncc(-c2ccccc2)s1
259310085	ZINC000526045440	ref	3.5	-11.27	0	220.272	1.126	1	3	2	C[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccn1
178326378	ZINC000237711345	ref	5.4	-62.54	1	361.486	1.776	2	3	8	Cc1ccc(OCCCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C
365651061	ZINC000176028347	ref	7.22	-9.34	0	237.343	1.917	0	2	4	CN(C[C@H]1CCCOC1)C(=O)[C@H]1C[C@@H]1C1CC1
230745465	ZINC000450495625	ref	3.65	-16.41	0	324.446	1.533	0	4	4	CCS(=O)(=O)c1ccc(CN2CCN(C(C)=O)C[C@H]2C)cc1
178326379	ZINC000237722059	ref	8.17	-62.96	1	358.486	1.771	1	2	3	C[C@H]1CN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CC[NH2+]1
365651074	ZINC000576650495	ref	1.01	-9.28	0	235.349	0.962	1	3	5	CCC[C@H](C)S(=O)(=O)N1CCC[C@H]1CO
343995701	ZINC000599275381	ref	4.24	-47.06	0	298.306	1.753	2	4	3	CC(=O)c1c[nH]c(C(=O)Nc2nnc3[n-][nH+]c(C)c(C)c2-3)c1
343995703	ZINC000248591369	ref	5.18	-96.63	2	285.391	1.069	2	1	1	[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C[C@@H]21
343995705	ZINC000248591369	mid	3.85	-48.61	1	285.391	1.069	2	2	1	[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3NCCc4ccccc43)C[C@@H]21
365651081	ZINC000576648321	ref	8.1	-13.33	0	209.293	1.407	0	4	5	CCCCN(CC)c1cc(=O)n(C)cn1
365651085	ZINC000576649223	ref	3.96	-9.54	0	230.271	0.75	1	5	2	N#Cc1nccc(N[C@@H]2C[C@@H]3OCCC[C@H]32)n1
365651090	ZINC000576648304	ref	3.66	-49.21	1	237.347	1.194	2	3	5	CCn1nccc1CC[NH2+][C@@H]1C[C@H](O)C1(C)C
192340816	ZINC000421455148	ref	7.23	-8.62	0	225.288	1.196	0	3	4	CCOC(=O)[C@H](C)N(C)C(=O)[C@@H]1CC12CC2
365651096	ZINC000576648051	ref	2.8	-14.73	0	231.299	1.495	2	3	6	CC[C@H](CC#N)N[C@H](C(N)=O)c1ccccc1
178326381	ZINC000237722059	mid	6.93	-18.97	0	358.486	1.771	1	3	3	C[C@H]1CN(C(=O)C2CCN(C(=O)N(C)Cc3ccccc3)CC2)CCN1
230745491	ZINC000450492397	ref	3.26	-10.81	0	303.449	1.943	0	5	4	C[C@@H]1CN(C[C@@H](C)S(C)(=O)=O)C[C@@H](c2ccsc2)O1
282123876	ZINC000171341613	ref	5.84	-18.14	0	339.321	2.054	1	5	2	Cc1nc2n(n1)C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1C)CC2
178326383	ZINC000237714657	ref	3.23	-52.72	1	362.455	1.639	2	5	5	Cc1sc(-c2ccco2)nc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
178326385	ZINC000237718461	ref	5.95	-40.62	1	351.397	1.685	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1
178326387	ZINC000237715716	ref	7.35	-57.77	1	351.397	1.639	1	2	2	O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCC[NH2+]CC2)CC1
178326389	ZINC000237715716	high	6.07	-18.02	0	351.397	1.639	1	3	2	O=C(c1ccc(F)cc1F)N1CCC(C(=O)N2CCCNCC2)CC1
365651103	ZINC000576648051	low	3.61	-46.37	1	231.299	1.495	2	2	6	CC[C@H](CC#N)[NH2+][C@H](C(N)=O)c1ccccc1
197611321	ZINC000290146412	ref	5.96	-8.38	0	253.371	2.534	0	4	3	CN(CC(C)(C)C)C(=O)c1snnc1C1CC1
349536193	ZINC000594970601	mid	8.19	-11.22	0	280.375	2.726	1	4	4	CC(C)(NCc1cnc2n1CCC2)c1cccc(C#N)c1
342090602	ZINC000623725500	high	5.13	-39.08	1	296.459	1.5	3	2	6	C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N(C)C1CC1
342090603	ZINC000616319445	ref	2.66	-11.24	0	284.4	1.269	1	4	4	CON1CCC(CC(=O)N2CCC[C@@H](CO)[C@H]2C)CC1
349536197	ZINC000594970601	low	9.73	-112.39	2	280.375	2.726	1	2	4	CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc(C#N)c1
214202185	ZINC000293796359	ref	6.35	-17.64	0	374.401	0.922	1	8	7	Cn1ncc(CCCNC(=O)c2cccc([N+](=O)[O-])c2N2CCOCC2)n1
365651062	ZINC000623090257	mid	4.56	-48.25	1	320.412	1.582	2	4	8	CN(CCO)CC[N@H+](C)Cc1cn(C)nc1-c1ccc(F)cc1
398250075	ZINC000650876186	high	3.45	-6.33	0	281.4	1.337	2	3	7	C[C@@H](COCC1CC1)NC(=O)N[C@@H]1CCN(C2CC2)C1
168365771	ZINC000019908533	ref	5.94	-5.94	0	237.343	3.552	1	3	7	CCC(CC)CNc1ccc(OC)c(OC)c1
214202191	ZINC000293795553	ref	2.52	-14.81	0	358.402	0.483	3	6	6	CCNC(=O)[C@@H](NC(=O)C(=O)Nc1ccc(-n2ccnn2)cc1)C(C)C
282123877	ZINC000449157325	high	2.64	-9.39	0	289.375	2.335	2	4	8	COC[C@H](CCO)NCc1cc2ccccc2cc1OC
168365774	ZINC000019908533	low	6.55	-41.41	1	237.343	3.552	1	2	7	CCC(CC)C[NH2+]c1ccc(OC)c(OC)c1
168365775	ZINC000019922012	ref	7.13	-4.37	0	202.301	3.406	1	2	5	CCC(CC)CNc1cccc(C#N)c1
168365777	ZINC000301493791	ref	4.3	-6.38	0	229.349	2.533	1	5	7	CCC(CC)CNc1nc(COC)ns1
178326390	ZINC000237712622	ref	8.79	-50.53	-1	356.378	1.813	0	5	4	Cc1ccccc1CC(=O)N1CCN(C(=O)c2ccc(C(=O)[O-])o2)CC1
178328136	ZINC000020153904	ref	8.51	-7.97	0	237.302	3.576	0	2	1	Cc1ccc(-c2ccnc3c2C(=O)CCC3)cc1
210256011	ZINC000000645157	ref	5.9	-19.86	0	355.415	3.261	1	4	5	COc1ccccc1NC(=O)CS(=O)(=O)c1ccc2ccccc2c1
342090604	ZINC000609099877	ref	4.58	-8.57	0	255.321	1.829	1	3	4	C=CCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1
342090605	ZINC000616319444	ref	2.66	-9.95	0	284.4	1.269	1	4	4	CON1CCC(CC(=O)N2CCC[C@@H](CO)[C@@H]2C)CC1
342090606	ZINC000621369966	ref	4.27	-39.5	1	297.786	1.624	2	4	4	C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1CO
342090607	ZINC000621369966	mid	4.72	-42.72	1	297.786	1.624	3	3	4	C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1CO
342090608	ZINC000621369966	mid	4.27	-39.5	1	297.786	1.624	3	3	4	C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1CO
210256018	ZINC000000644455	ref	8.41	-7.24	0	372.841	3.592	1	8	4	CSc1nc(Oc2ccc(Cl)cc2C)cc(-n2ncc(C#N)c2N)n1
210256027	ZINC000000646674	ref	12.04	-14.08	0	371.44	3.78	1	4	7	O=C(COc1ccccc1)NCc1nc2ccccc2n1Cc1ccccc1
398250076	ZINC000649446326	ref	6.61	-8.25	0	225.288	3.425	0	3	5	FCCCCOc1ccc2cnsc2c1
210256034	ZINC000000646369	ref	8.02	-15.36	0	358.419	3.292	0	7	5	COc1ccc(-c2csc3ncn([C@@H](C)C(C)=O)c(=O)c23)cc1OC
210256044	ZINC000000645792	ref	11.03	-8.64	0	371.527	5.595	0	5	6	CCOc1ccc2nc(SCC(=O)c3c(C)cc(C)cc3C)sc2c1
365651065	ZINC000617487940	ref	-1.66	-9.87	0	251.286	0.826	2	4	4	C[C@@H]1CC[C@H](C(=O)NCc2nc(C(N)=O)co2)C1
342090609	ZINC000616319503	ref	2.57	-9.82	0	271.748	1.306	1	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)c1c(Cl)cnn1C
210256050	ZINC000000644195	ref	9.35	-15.09	0	370.408	3.452	1	4	4	O=C1c2ccccc2C(=O)N1C[C@@H](O)Cn1c2ccccc2c2ccccc21
210256054	ZINC000000640837	ref	9.68	-7.1	0	368.658	5.639	1	2	2	Cc1ccc(NC(=O)Oc2c(C)cc(Cl)cc2Br)c(C)c1
210256060	ZINC000000641545	ref	10.79	-9.18	0	357.475	5.485	1	4	4	CCOC(=O)c1ccc(NC(=O)Sc2ccc(C(C)(C)C)cc2)cc1
178326392	ZINC000032303164	ref	9.25	-7.87	0	213.236	3.57	0	2	2	Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1
365651071	ZINC000617487274	ref	-1.63	-10.74	0	281.312	0.595	2	5	5	CO[C@H]1CCCC[C@@H]1C(=O)NCc1nc(C(N)=O)co1
210255965	ZINC000272863345	high	4.79	-7.32	0	315.413	3.396	2	4	7	COc1cccc([C@@H](O)CN[C@@H](C)c2ccc(OC)c(C)c2)c1
178326394	ZINC000065340418	ref	6.95	-4.62	0	232.71	4.329	1	1	1	Cc1ccc(-c2cccc(Cl)c2C)cc1O
365651082	ZINC000617487884	ref	-2.35	-12.93	0	255.274	0.205	2	5	7	CC[C@H](C)OCC(=O)NCc1nc(C(N)=O)co1
214202186	ZINC000278510787	ref	3.0	-7.81	0	301.213	2.271	0	5	4	CN(Cc1nccs1)Cc1c(Br)cnn1C
210255971	ZINC000272863567	ref	4.44	-8.53	0	324.421	2.031	2	4	9	COC[C@H](CNC(=O)N[C@@H](C)COc1c(C)cccc1C)OC
210255977	ZINC000272862810	ref	7.71	-35.85	1	318.461	2.691	2	2	7	CC[N@H+](C)[C@H](C(=O)N1CCC(CCCO)CC1)c1ccccc1
365651091	ZINC000617487422	ref	-1.55	-14.19	0	293.323	0.929	2	5	4	NC(=O)c1coc(CNC(=O)[C@@H]2CCCCCC(=O)C2)n1
398250083	ZINC000381293713	ref	6.43	-52.11	0	243.69	1.531	1	3	7	O=C([O-])COCC[NH2+]Cc1ccccc1Cl
398250089	ZINC000381293713	high	5.04	-45.42	-1	243.69	1.531	1	4	7	O=C([O-])COCCNCc1ccccc1Cl
214202190	ZINC000278509734	ref	5.54	-9.77	0	323.462	3.025	1	5	4	CC1(C)CC[C@@H](C(=O)Nc2nc(CN3CCCCC3)cs2)O1
365651068	ZINC000124439801	ref	4.44	-8.58	0	260.249	2.022	1	5	3	COC(=O)c1ccc(C(=O)Nc2ccncc2C)o1
282123880	ZINC000151701525	ref	5.13	-12.65	0	304.316	2.428	2	3	6	Cn1cc(CNC(=O)NCCCC2CC2)c(C(F)(F)F)n1
342603524	ZINC000617006976	ref	3.67	-36.89	1	298.427	1.561	2	3	5	CCOC1(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOCC1
342603525	ZINC000617006976	mid	5.05	-36.12	1	298.427	1.561	2	3	5	CCOC1(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)CCOCC1
197611329	ZINC000163093510	ref	3.29	-10.61	0	305.378	1.883	2	3	6	COc1ccc(N(C(=O)[C@H](C)NC(N)=O)[C@@H](C)C2CC2)cc1
214202192	ZINC000278509734	low	8.28	-39.33	1	323.462	3.025	2	4	4	CC1(C)CC[C@@H](C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)O1
214202195	ZINC000278511027	ref	5.01	-19.18	0	319.405	2.399	2	4	9	CC[C@H](NC(=O)CCCc1nc2ccccc2[nH]1)C(OC)OC
342603526	ZINC000617006976	high	1.57	-5.56	0	298.427	1.561	1	4	5	CCOC1(C(=O)NC[C@@H]2CCN2C(C)(C)C)CCOCC1
214202199	ZINC000278511097	ref	9.15	-45.62	1	314.429	2.412	1	2	3	C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1
342603527	ZINC000617006967	ref	2.92	-35.97	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@](C)(O)C1CC1
214202201	ZINC000278511097	mid	8.96	-46.2	1	314.429	2.412	1	2	3	C[C@@H]1C[N@H+](C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1
214202204	ZINC000278511097	high	6.82	-8.29	0	314.429	2.412	0	3	3	C[C@@H]1CN(C2CCOCC2)CCN1C(=O)/C=C/c1ccccc1
214202208	ZINC000278510008	ref	7.39	-11.2	0	323.396	3.268	1	3	3	Cc1ccc(NC(=O)c2ccccn2)cc1C(=O)N1CCCCC1
342603528	ZINC000617006967	mid	4.46	-35.84	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@](C)(O)C1CC1
342603529	ZINC000617006967	high	1.57	-6.4	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@](C)(O)C1CC1
342603530	ZINC000590881164	ref	4.69	-16.74	0	264.281	1.119	1	4	3	C[C@@H]1[C@H](O)CCN1C(=O)Cc1ccccc1[N+](=O)[O-]
365651072	ZINC000124439801	low	4.9	-36.94	1	260.249	2.022	1	4	3	COC(=O)c1ccc(C(=O)Nc2cc[nH+]cc2C)o1
342603531	ZINC000590881222	ref	5.7	-13.95	0	278.308	1.509	1	4	4	C[C@@H]1[C@H](O)CCN1C(=O)CCc1cccc([N+](=O)[O-])c1
342603532	ZINC000590870354	ref	6.91	-11.57	0	275.295	1.484	0	3	2	COC(=O)[C@H]1CCCC[C@H]1C(=O)N1C[C@H](F)[C@H](F)C1
398254295	ZINC000381590220	high	5.98	-29.81	1	246.345	2.481	2	1	3	C[C@@H]1C[C@H](CN)C[N@@H+]1C[C@@H]1CCCCC1(F)F
342603533	ZINC000590881247	ref	4.83	-16.75	0	274.32	1.307	1	4	3	C[C@@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](O)[C@H]1C
342090610	ZINC000616319448	ref	2.94	-8.92	0	282.384	1.221	2	3	3	CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@H]2CCNC2=O)C1(C)C
343995702	ZINC000079981476	mid	6.44	-36.56	1	266.389	2.317	2	2	8	Cc1[nH+]ccn1CCCNC(=O)NCCCC(C)C
178326395	ZINC000237720123	ref	6.83	-46.06	1	353.825	1.906	1	2	2	O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1
178326396	ZINC000237720123	high	5.59	-11.75	0	353.825	1.906	1	3	2	O=C(c1ccc(F)cc1Cl)N1CCN(C(=O)[C@@H]2CCCCN2)CC1
343995704	ZINC000079982915	ref	5.02	-37.6	1	296.44	2.205	3	3	5	C[C@@H](CNC(=O)NCc1nccs1)[N@@H+]1CCCC[C@H]1C
168365782	ZINC000037131445	ref	7.82	-8.6	0	247.298	3.315	1	4	6	CCC(CC)CNc1ccc([N+](=O)[O-])cc1C#N
343995707	ZINC000079982915	mid	4.41	-37.97	1	296.44	2.205	3	3	5	C[C@@H](CNC(=O)NCc1nccs1)[N@H+]1CCCC[C@H]1C
343995709	ZINC000079982915	high	2.75	-7.97	0	296.44	2.205	2	4	5	C[C@@H](CNC(=O)NCc1nccs1)N1CCCC[C@H]1C
343995710	ZINC000079963498	ref	8.98	-14.54	0	280.412	2.139	0	2	4	CCC[C@@H]1C[C@@H]1C(=O)N1CCCN(C(=O)C(C)C)CC1
349536195	ZINC000621500065	ref	8.41	-11.8	0	294.345	3.434	1	1	4	C[C@@H]1CN(C(=O)NCC[C@H]2CC2(F)F)[C@H]1c1ccccc1
349536199	ZINC000621500940	ref	9.54	-49.69	-1	297.354	3.138	1	3	7	O=C([O-])c1ccc(C(=O)NCCCCc2ccccc2)cc1
349536202	ZINC000621500255	ref	4.53	-6.6	0	290.388	3.26	1	4	4	COc1cc(C(=O)N[C@H](C)c2ccc(C)cc2C)sn1
192340819	ZINC000421451391	ref	7.15	-13.73	0	238.331	1.113	0	2	5	CCCN(CC(=O)N(C)C)C(=O)[C@H]1CC12CC2
349536204	ZINC000621500734	ref	7.92	-9.49	0	274.355	3.253	1	1	5	CCC[C@@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349536207	ZINC000621499943	ref	8.45	-9.44	0	288.382	3.499	1	1	5	CC(C)C[C@H]1CCCN(C(=O)NCC[C@@H]2CC2(F)F)C1
349536211	ZINC000621499607	ref	5.7	-6.41	0	260.328	3.076	2	1	6	C=CCCNC(=O)N[C@@H](C(F)F)C1CCCCC1
349536214	ZINC000621499944	ref	8.45	-9.48	0	288.382	3.499	1	1	5	CC(C)C[C@H]1CCCN(C(=O)NCC[C@H]2CC2(F)F)C1
349536217	ZINC000621499178	ref	5.1	-11.06	0	299.374	3.027	1	3	3	Cc1cnc([C@@H](C)NC(=O)N2CC(C)(c3ccccc3)C2)o1
398250078	ZINC000651471115	ref	3.69	-6.21	0	264.756	3.095	1	3	4	C[C@H](CCO)N(C)c1ccnc2ccc(Cl)cc12
349536221	ZINC000621499246	ref	8.29	-13.05	0	296.308	3.109	1	1	7	O=C(NCC[C@H]1CC1(F)F)N(CC(F)F)CC1CCC1
178326398	ZINC000237724002	ref	7.13	-60.28	1	355.394	1.546	2	5	4	Cn1ccc(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)cc1=O
349536223	ZINC000621500558	ref	8.54	-10.41	0	274.355	3.42	1	1	9	C=CCCCCCN(C)C(=O)NCC[C@@H]1CC1(F)F
398250079	ZINC000647170665	low	7.08	-98.73	2	245.326	1.644	1	2	4	C[C@H]1C[C@@H]([NH2+]CCc2cn3ccccc3[nH+]2)CO1
214202196	ZINC000293807286	ref	4.12	-15.48	0	360.374	0.511	2	7	8	Cc1cc(C(=O)NCC(=O)NCCCc2cnn(C)n2)ccc1[N+](=O)[O-]
214202200	ZINC000293801334	ref	4.77	-13.7	0	361.442	0.95	1	4	4	CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)[C@H]2C1
136230330	ZINC000295477572	ref	1.44	-5.86	0	208.217	0.826	1	4	4	CC#CCNC(=O)c1cc(OCC)no1
136230331	ZINC000295475094	ref	4.17	-12.91	0	227.304	0.812	1	3	7	C#CCO[C@@H](C)C(=O)NC[C@@H](OC)C(C)C
342090611	ZINC000616319440	ref	1.92	-12.84	0	278.352	1.252	1	4	4	COc1cc(CC(=O)N2CCC[C@H](CO)[C@H]2C)ccn1
197611359	ZINC000290148392	ref	6.99	-10.41	0	276.384	2.152	1	3	4	CCN(C)C(=O)NCc1cc(C)nc(N2CCCC2)c1
197611361	ZINC000290148392	mid	7.42	-31.88	1	276.384	2.152	1	2	4	CCN(C)C(=O)NCc1cc(C)[nH+]c(N2CCCC2)c1
259310086	ZINC000323048457	ref	1.62	-5.43	0	238.331	1.995	1	3	7	CC[C@](C)(C[NH2+]Cc1cccc(OC)n1)OC
214202205	ZINC000293801334	mid	7.02	-45.69	1	361.442	0.95	1	4	4	CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)[C@H]2C1
187169796	ZINC000125103712	ref	0.92	-21.16	0	283.234	0.891	3	3	2	O=C1CC[C@H](NC(=O)Nc2ccc(F)c(F)c2)C(=O)N1
197611364	ZINC000290147221	ref	5.5	-8.04	0	299.374	3.256	0	5	5	Cc1ccccc1OCc1noc([C@H]2CCCN2C2CC2)n1
136230332	ZINC000295462086	ref	5.59	-6.77	0	243.306	1.853	1	2	4	C#Cc1ccc(CNC(=O)C2(OC)CCC2)cc1
136230333	ZINC000295465722	ref	5.62	-8.51	0	200.039	1.064	0	3	2	C#CCCn1cnc(Br)n1
342090612	ZINC000623725508	ref	4.6	-38.92	1	296.459	1.524	3	2	7	C=CC(C)(C)CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1
342090613	ZINC000623725508	mid	2.22	-7.22	0	296.459	1.524	2	3	7	C=CC(C)(C)CCNC(=O)N[C@H](C)CN1CCN(C)CC1
342090614	ZINC000623725508	mid	4.57	-41.12	1	296.459	1.524	3	2	7	C=CC(C)(C)CCNC(=O)N[C@H](C)C[NH+]1CCN(C)CC1
342090615	ZINC000616319411	ref	2.68	-20.95	0	278.352	1.583	2	3	3	CCc1c[nH]c(=O)c(C(=O)N2CCC[C@@H](CO)[C@H]2C)c1
342090616	ZINC000623725507	ref	4.58	-39.74	1	296.459	1.524	3	2	7	C=CC(C)(C)CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1
342090617	ZINC000623725507	mid	2.21	-7.55	0	296.459	1.524	2	3	7	C=CC(C)(C)CCNC(=O)N[C@@H](C)CN1CCN(C)CC1
342090618	ZINC000623725507	mid	4.65	-41.25	1	296.459	1.524	3	2	7	C=CC(C)(C)CCNC(=O)N[C@@H](C)C[NH+]1CCN(C)CC1
342090619	ZINC000609099644	ref	4.86	-11.73	0	299.374	1.822	1	4	3	N#Cc1ccc(N2CCC[C@H]2C(=O)NC2CCOCC2)cc1
365651070	ZINC000623090257	mid	4.65	-42.17	1	320.412	1.582	2	4	8	CN(CCO)CC[N@@H+](C)Cc1cn(C)nc1-c1ccc(F)cc1
178326399	ZINC000237721057	ref	5.32	-47.94	1	360.502	1.002	3	4	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3COCCN3)CC2)c1
342090620	ZINC000616319287	ref	5.21	-12.17	0	251.33	1.136	1	4	3	CCn1cnc(C(=O)N2CCC[C@H](CO)[C@@H]2C)c1
214202206	ZINC000053876390	low	8.52	-118.59	2	325.294	3.789	2	0	4	C[N@H+](Cc1ccccc1Br)C[C@H]1CCCCC[C@@H]1[NH3+]
365651075	ZINC000623090257	high	2.37	-8.82	0	320.412	1.582	1	5	8	CN(CCO)CCN(C)Cc1cn(C)nc1-c1ccc(F)cc1
365651079	ZINC000623091174	ref	5.93	-45.02	1	322.478	1.938	2	5	8	Cc1nc2scc(C3CC3)n2c1CN(C)CC[N@H+](C)CCO
136230334	ZINC000295490103	ref	5.31	-10.56	0	248.33	1.901	2	3	6	C=C[C@](C)(CC)C(=O)NCc1nnc(C2CC2)[nH]1
136230335	ZINC000295490103	mid	4.91	-8.82	0	248.33	1.901	2	3	6	C=C[C@](C)(CC)C(=O)NCc1n[nH]c(C2CC2)n1
299072543	ZINC000358088930	ref	4.85	-25.97	0	316.317	1.612	2	4	6	CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H](CC(N)=O)c1ccccc1
178326400	ZINC000237721057	mid	6.73	-92.92	2	360.502	1.002	3	3	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3COCC[NH2+]3)CC2)c1
178326403	ZINC000237721057	high	3.12	-9.78	0	360.502	1.002	2	5	7	Cc1cccc(N2CCN(CCCCNC(=O)[C@H]3COCCN3)CC2)c1
365651083	ZINC000623091174	mid	5.45	-44.25	1	322.478	1.938	2	5	8	Cc1nc2scc(C3CC3)n2c1CN(C)CC[N@@H+](C)CCO
398250080	ZINC000635661272	ref	7.59	-22.1	0	287.319	1.66	1	5	3	Cc1cc(C2(C(=O)Nc3c(C)ccn(C)c3=O)CC2)on1
342090621	ZINC000616319284	ref	5.25	-10.9	0	251.33	1.136	1	4	3	CCn1cnc(C(=O)N2CCC[C@H](CO)[C@H]2C)c1
365651087	ZINC000623091174	high	3.1	-9.74	0	322.478	1.938	1	6	8	Cc1nc2scc(C3CC3)n2c1CN(C)CCN(C)CCO
214202215	ZINC000053862260	ref	4.98	-17.23	0	327.34	2.858	1	6	5	CC(C)c1cccc(NC(=O)Cn2nc(-c3ccco3)oc2=O)c1
178326405	ZINC000237721880	ref	7.37	-56.39	1	359.47	1.514	1	3	5	C[C@H]1CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CC[NH2+]1
349536201	ZINC000621246164	mid	1.62	-6.4	0	267.72	2.031	1	6	3	CCn1ncc(Cl)c1-c1nc([C@@H]2CCCN2)no1
178326407	ZINC000237721880	mid	6.12	-15.23	0	359.47	1.514	1	4	5	C[C@H]1CN(C(=O)C2CCN(C(=O)CCOc3ccccc3)CC2)CCN1
178326408	ZINC000237721919	ref	11.15	-64.36	-1	371.441	1.808	1	7	5	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])c2C)n1
214202209	ZINC000293801334	high	4.77	-13.7	0	361.442	0.95	0	5	4	CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)[C@H]2C1
398250081	ZINC000651471115	mid	4.13	-36.2	1	264.756	3.095	1	2	4	C[C@H](CCO)N(C)c1cc[nH+]c2ccc(Cl)cc12
398250084	ZINC000651469503	ref	6.17	-33.73	1	287.354	3.011	1	3	6	CC[C@@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccn(C)n1
398250087	ZINC000651469503	high	5.1	-8.18	0	287.354	3.011	1	4	6	CC[C@@H](NC1CCC(OC(F)F)CC1)c1ccn(C)n1
398250092	ZINC000651470806	ref	6.86	-8.18	0	258.365	3.059	1	3	4	Cc1ccc2c(C)cc(N(C)[C@@H](C)CCO)nc2c1
398250095	ZINC000651470806	mid	7.13	-24.47	1	258.365	3.059	1	2	4	Cc1ccc2c(C)cc(N(C)[C@@H](C)CCO)[nH+]c2c1
178326412	ZINC000044118943	ref	7.55	-6.71	0	248.123	3.82	0	1	1	Cc1ccc(-c2cccc(Br)n2)cc1
178326416	ZINC000096130334	ref	6.17	-11.18	0	243.281	3.208	1	1	2	Cc1ccc(-c2cccc(F)c2C(N)=O)cc1C
365651076	ZINC000124439825	ref	7.06	-13.09	0	285.347	2.171	1	4	4	C[C@@]1(CNC(=O)c2cccc(-n3ccnc3)c2)CCCO1
178326419	ZINC000041268685	ref	7.11	-4.59	0	236.112	3.753	1	0	1	Cc1ccc(-c2cccc(Br)c2)[nH]1
178326422	ZINC000023231301	ref	5.88	-18.07	0	236.278	2.842	1	3	2	Cc1ccc(-c2cccc(-c3cc[nH]n3)c2)nn1
178326424	ZINC000084005798	ref	8.48	-53.32	-1	218.277	3.422	0	3	2	Cc1ccc(-c2cccc(C(=O)[O-])c2)s1
365651084	ZINC000124439825	low	7.58	-39.1	1	285.347	2.171	1	3	4	C[C@@]1(CNC(=O)c2cccc(-n3cc[nH+]c3)c2)CCCO1
214202212	ZINC000293805729	ref	6.92	-49.15	1	358.442	0.7	2	5	6	C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)CCn1cnc2ccccc2c1=O
214202217	ZINC000293805729	mid	7.17	-48.85	1	358.442	0.7	2	5	6	C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1C(=O)CCn1cnc2ccccc2c1=O
214202219	ZINC000293805729	high	5.51	-16.74	0	358.442	0.7	1	6	6	C[C@@H]1[C@H](N(C)CCO)CCN1C(=O)CCn1cnc2ccccc2c1=O
365651092	ZINC000124438132	ref	5.05	-42.19	1	276.38	2.252	3	2	7	CC[C@@H](C)[N@H+](C)CCNC(=O)/C=C/c1ccc(O)cc1
365651099	ZINC000124438132	mid	5.02	-41.72	1	276.38	2.252	3	2	7	CC[C@@H](C)[N@@H+](C)CCNC(=O)/C=C/c1ccc(O)cc1
136230336	ZINC000295634330	ref	7.29	-15.2	0	241.294	1.738	0	3	2	CC#CCN(C)C(=O)c1cnn2ccc(C)cc12
136230337	ZINC000233260720	ref	2.08	-47.22	1	248.392	1.094	2	2	5	CCCS(=O)(=O)NC[C@H]1[NH2+]CCCC1(C)C
349536203	ZINC000621246427	ref	4.78	-6.99	0	288.782	2.452	0	4	3	Clc1cncc(CN2CCN(c3ccccn3)CC2)c1
398250098	ZINC000651469218	ref	5.69	-37.7	1	259.296	3.481	1	2	5	C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1ccco1
398250082	ZINC000076959855	ref	6.23	-7.98	0	216.284	2.006	0	2	3	CN(Cc1ccccn1)C(=O)C1CC=CC1
197611352	ZINC000163099689	ref	8.41	-8.13	0	309.479	3.252	1	4	5	CS[C@H]1CCC[C@H](NC(=O)c2cnn(CC(C)C)c2C)C1
214202213	ZINC000278511478	ref	6.48	-19.99	0	324.384	2.126	2	4	4	Cc1ccc(CNC(=O)N[C@@H](C)c2ccc(C#N)cc2)c(=O)n1C
342090622	ZINC000621369963	ref	4.75	-42.36	1	297.786	1.624	2	4	4	C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1CO
210255981	ZINC000272862810	mid	7.72	-35.57	1	318.461	2.691	2	2	7	CC[N@@H+](C)[C@H](C(=O)N1CCC(CCCO)CC1)c1ccccc1
214202216	ZINC000278509814	ref	3.45	-5.71	0	322.258	2.23	2	3	4	CC(C)Oc1cc(F)ccc1NC(=O)C(=O)NCC(F)(F)F
342090623	ZINC000621369963	mid	4.52	-41.88	1	297.786	1.624	3	3	4	C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1CO
342090624	ZINC000621369963	mid	4.75	-42.36	1	297.786	1.624	3	3	4	C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@@H]1CO
342090625	ZINC000609098932	ref	6.66	-12.77	0	299.374	1.776	0	4	2	N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCCOCC2)cc1
342090626	ZINC000609099717	ref	3.92	-11.9	0	273.336	1.29	1	4	5	COCCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1
342090627	ZINC000623725501	ref	7.2	-81.31	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)[NH+](C)C1CC1
342090628	ZINC000623725501	mid	7.1	-82.34	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)[NH+](C)C1CC1
342090629	ZINC000623725501	mid	7.64	-84.43	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+](C)C1)[N@H+](C)C1CC1
342090630	ZINC000623725501	mid	7.1	-82.34	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@H]1CCCC[NH+](C)C1)[N@@H+](C)C1CC1
342090631	ZINC000623725501	high	5.23	-38.99	1	296.459	1.5	3	2	6	C[C@@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N(C)C1CC1
342090632	ZINC000623725501	high	5.13	-39.83	1	296.459	1.5	3	2	6	C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+](C)C1)N(C)C1CC1
342090633	ZINC000616319502	ref	2.61	-9.98	0	271.748	1.306	1	4	2	C[C@H]1[C@H](CO)CCCN1C(=O)c1c(Cl)cnn1C
342090634	ZINC000616319441	ref	1.9	-14.14	0	278.352	1.252	1	4	4	COc1cc(CC(=O)N2CCC[C@H](CO)[C@@H]2C)ccn1
342090635	ZINC000616319449	ref	2.8	-7.96	0	282.384	1.221	2	3	3	CC(C)(C)O[C@@H]1C[C@H](NC(=O)[C@@H]2CCNC2=O)C1(C)C
342090636	ZINC000609099882	ref	5.42	-11.28	0	255.321	1.829	1	3	4	C=CCNC(=O)[C@H]1CCCN1c1ccc(C#N)cc1
342090637	ZINC000621369965	ref	4.52	-41.95	1	297.786	1.624	2	4	4	C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)C[C@H]1CO
342090638	ZINC000621369965	mid	4.75	-42.36	1	297.786	1.624	3	3	4	C[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1CO
342104071	ZINC000609362357	ref	5.39	-27.04	0	282.344	1.92	0	5	6	CCCCn1nnnc1C[S@](=O)c1ccc(F)cc1
178326411	ZINC000237721300	ref	3.95	-59.07	1	367.446	1.279	3	3	5	O=C(NC1C[C@@H]2CC[C@H](C1)[NH2+]2)c1ccc(F)c(S(=O)(=O)NC2CC2)c1
365651077	ZINC000173002243	ref	6.72	-16.3	0	294.351	1.545	1	5	6	CC(=O)c1cc(C(=O)NC[C@H](C)C(=O)OC(C)C)n(C)c1
168365787	ZINC000021799447	ref	8.81	-1.65	0	219.372	4.658	1	1	6	CCC(CC)CNc1ccccc1C(C)C
398250086	ZINC000650876735	ref	5.15	-42.02	1	295.427	1.273	3	2	4	C[C@H](CO)C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1
214725076	ZINC000299565365	ref	3.11	-24.2	0	358.372	0.03	2	7	8	CCOC(=O)CC(=O)Nc1cccc(S(=O)(=O)NCC(=O)OC)c1
343995706	ZINC000248591366	ref	5.07	-96.16	2	285.391	1.069	2	1	1	[NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C[C@H]21
365651089	ZINC000173009541	ref	3.6	-14.03	0	291.419	1.308	0	5	2	CS(=O)(=O)[C@H]1CSCCN1C(=O)c1ccsc1
349536206	ZINC000621246427	low	7.3	-44.48	1	288.782	2.452	1	3	3	Clc1cncc(C[NH+]2CCN(c3ccccn3)CC2)c1
210255982	ZINC000272862810	mid	5.08	-9.71	0	318.461	2.691	1	3	7	CCN(C)[C@H](C(=O)N1CCC(CCCO)CC1)c1ccccc1
210255984	ZINC000272862053	ref	8.69	-10.32	0	301.39	3.343	2	3	4	CC(C)[C@H]1C[C@@H](CC(=O)Nc2nc3ccccc3[nH]2)CCO1
365651095	ZINC000053299150	ref	7.49	-98.16	2	293.436	1.534	2	2	6	O=C(CC[N@H+](Cc1cccs1)C1CC1)N1CC[NH2+]CC1
230745498	ZINC000414376347	ref	6.07	-11.74	0	324.446	3.218	1	4	7	CCCn1ccc2ccc(NS(=O)(=O)CC(C)(C)OC)cc21
178326413	ZINC000237721300	high	3.65	-88.56	0	367.446	1.279	2	3	5	O=C(NC1C[C@@H]2CC[C@H](C1)[NH2+]2)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1
178326414	ZINC000237720064	ref	8.98	-51.96	1	356.474	1.778	1	5	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCCC[C@H]3C[NH3+])c2C)n1
230745501	ZINC000414376347	high	6.13	-52.78	-1	324.446	3.218	0	4	7	CCCn1ccc2ccc([N-]S(=O)(=O)CC(C)(C)OC)cc21
178326415	ZINC000237722398	ref	6.89	-61.04	1	351.397	1.637	1	2	2	C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CC[NH2+]1
349536209	ZINC000621246082	ref	2.96	-89.32	2	266.389	2.048	2	3	6	CC(C)C[C@H]([NH3+])c1noc(CC[C@H]2CCC[NH2+]C2)n1
365651104	ZINC000053299150	mid	7.47	-95.56	2	293.436	1.534	2	2	6	O=C(CC[N@@H+](Cc1cccs1)C1CC1)N1CC[NH2+]CC1
342104072	ZINC000609359275	ref	3.64	-13.55	0	294.399	1.042	1	4	4	CN(C[C@H]1CCCOC1)C(=O)NC1CCN(CC#N)CC1
342104073	ZINC000123381790	ref	6.59	-44.59	1	276.384	1.851	1	4	3	Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCC2)C1
197611366	ZINC000290147221	low	7.73	-36.74	1	299.374	3.256	1	4	5	Cc1ccccc1OCc1noc([C@H]2CCC[N@@H+]2C2CC2)n1
197611368	ZINC000290147221	low	7.36	-37.68	1	299.374	3.256	1	4	5	Cc1ccccc1OCc1noc([C@H]2CCC[N@H+]2C2CC2)n1
214202214	ZINC000337660942	ref	1.23	-18.03	0	298.355	0.867	2	3	6	CCS(=O)(=O)NCC(=O)NC[C@H]1CCCC(F)(F)C1
178326417	ZINC000237722398	mid	5.65	-18.99	0	351.397	1.637	1	3	2	C[C@H]1CN(C(=O)C2CCN(C(=O)c3ccc(F)cc3F)CC2)CCN1
178326418	ZINC000237723883	ref	4.44	-62.81	1	373.478	1.962	2	3	5	CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H]([NH3+])c3ccccc3)cc2C[C@@H]1C
178326420	ZINC000237723883	high	4.03	-13.5	0	373.478	1.962	2	4	5	CC(=O)N1c2ccc(S(=O)(=O)NC[C@@H](N)c3ccccc3)cc2C[C@@H]1C
398250088	ZINC000076956967	ref	5.96	-9.2	0	245.322	2.457	1	2	5	CO[C@H](CNC(=O)C1CC=CC1)c1ccccc1
178326423	ZINC000237711077	ref	9.16	-50.96	1	357.498	1.988	1	2	5	Cc1ccccc1CC(=O)N1CCN(C(=O)CCC2CC[NH2+]CC2)CC1
178326425	ZINC000237723599	ref	7.52	-56.71	1	355.394	1.546	2	5	5	Cn1ccc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)cc1=O
178326426	ZINC000237716204	ref	6.55	-55.07	1	365.424	1.933	2	2	4	O=C(NC[C@H]1CCC[NH2+]C1)C1CCN(C(=O)c2ccc(F)cc2F)CC1
178326429	ZINC000237720484	ref	10.83	-63.21	-1	357.414	1.372	0	7	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CC[C@H](C(=O)[O-])C3)c2C)n1
178326431	ZINC000237707940	ref	5.64	-60.32	1	361.486	1.858	2	3	9	Cc1cccc(OCCCCC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1
178326432	ZINC000237706395	ref	3.08	-50.68	1	354.248	1.94	3	2	4	Cc1cc(NC(=O)CNC(=O)[C@H]2CC[C@H]([NH3+])C2)ccc1Br
178326434	ZINC000237715476	ref	3.28	-45.46	1	371.441	1.252	2	5	4	Cc1noc2ncc(C(=O)N3CCC[C@@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc12
178326435	ZINC000237720003	ref	8.98	-52.03	1	356.474	1.778	1	5	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N3CCCC[C@@H]3C[NH3+])c2C)n1
178326438	ZINC000237722386	ref	3.94	-59.38	1	355.435	1.046	1	3	3	O=C(c1ccc(S(=O)(=O)N2CCC[NH2+]CC2)cc1F)N1CCCC1
199273371	ZINC000181261183	ref	8.41	-39.62	1	318.461	3.034	2	2	6	CC[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1
178326439	ZINC000237722386	high	2.75	-15.96	0	355.435	1.046	1	4	3	O=C(c1ccc(S(=O)(=O)N2CCCNCC2)cc1F)N1CCCC1
178326440	ZINC000237707754	ref	5.65	-60.29	1	361.486	1.858	2	3	9	Cc1cccc(OCCCCC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1
342090639	ZINC000621369965	mid	4.52	-41.95	1	297.786	1.624	3	3	4	C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1CO
365651078	ZINC000274399643	mid	4.02	-10.6	0	292.383	1.82	2	3	2	Cc1[nH]ncc1CNC(=O)N1CCCC2(CCOCC2)C1
230745493	ZINC000425615946	ref	3.93	-17.25	0	321.381	2.001	1	6	6	CCO[C@@H](C)c1noc(CN(C)C(=O)N[C@@H]2CC[C@H](C#N)C2)n1
365651088	ZINC000274400116	ref	7.61	-17.61	0	276.336	1.739	0	4	4	CCOC(=O)[C@H]1CCCN1C(=O)[C@H](C)c1cccnc1
136230338	ZINC000295629119	ref	3.04	-9.73	0	244.298	2.058	0	5	5	C=CCN(C)Cc1nc(-c2cc(C)ccn2)no1
136230339	ZINC000295629119	low	5.4	-42.93	1	244.298	2.058	1	4	5	C=CC[N@@H+](C)Cc1nc(-c2cc(C)ccn2)no1
365651094	ZINC000274400420	ref	2.85	-12.24	0	297.742	1.558	2	3	3	CNC(=O)C1CN(C(=O)Nc2cccc(Cl)c2OC)C1
178326430	ZINC000079924961	ref	9.1	-3.52	0	202.684	4.315	0	0	1	Cc1ccc(-c2cccc(Cl)c2)cc1
178326433	ZINC000005160855	ref	10.37	-8.16	0	245.325	4.724	0	1	2	Cc1ccc(-c2ccccc2)nc1-c1ccccc1
178326436	ZINC000065340249	ref	5.53	-8.92	0	212.248	3.18	1	2	2	Cc1ccc(-c2cccc(C=O)c2)cc1O
178326437	ZINC000085472068	ref	9.36	-57.45	-1	230.238	3.499	0	2	2	Cc1ccc(-c2ccccc2)c(F)c1C(=O)[O-]
178326441	ZINC000065347413	ref	7.64	-52.43	-1	231.226	2.894	0	3	2	Cc1ccc(-c2cccc(C(=O)[O-])n2)cc1F
210255986	ZINC000272863344	ref	5.94	-45.95	1	315.413	3.396	2	3	7	COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)c(C)c2)c1
398250090	ZINC000650876735	mid	5.02	-40.93	1	295.427	1.273	3	2	4	C[C@H](CO)C1CCN(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CC1
365651102	ZINC000637721776	ref	3.43	-45.94	1	291.395	1.251	4	2	6	Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCCO)C2)cc1
282123881	ZINC000533475363	high	3.48	-9.43	0	270.417	1.726	1	3	6	CC[C@H](C(=O)N1CCC[C@H]([C@@H](C)O)C1)N(CC)CC
282123885	ZINC000533474869	ref	6.88	-22.68	0	299.374	1.999	1	3	6	CN(CCC1CC1)C(=O)Cn1cc(C(N)=O)c2ccccc21
230745512	ZINC000425616727	ref	9.06	-59.73	1	302.418	2.465	1	2	4	C[NH+](C)C[C@H]1CCc2ccccc2N1C(=O)C[C@H]1CCCO1
230745515	ZINC000425616727	high	7.94	-7.81	0	302.418	2.465	0	3	4	CN(C)C[C@H]1CCc2ccccc2N1C(=O)C[C@H]1CCCO1
178326445	ZINC000040434192	ref	8.16	-50.83	1	240.35	3.388	1	1	2	Cc1ccc(-c2ccccc2)n1C1CC[NH2+]CC1
398250094	ZINC000650876735	high	2.7	-8.93	0	295.427	1.273	2	3	4	C[C@H](CO)C1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1
166173311	ZINC000077269899	ref	4.76	-41.65	1	182.267	0.773	1	1	6	C=CCN(C)C(=O)CC[NH2+]C1CC1
342090640	ZINC000609099715	ref	3.14	-8.85	0	273.336	1.29	1	4	5	COCCNC(=O)[C@@H]1CCCN1c1ccc(C#N)cc1
282123882	ZINC000449156086	ref	6.34	-56.14	1	274.368	2.164	1	4	7	CCn1nnc(C)c1C[NH2+]C[C@@H](C)Oc1ccccc1
282123884	ZINC000449156086	high	4.99	-10.45	0	274.368	2.164	1	5	7	CCn1nnc(C)c1CNC[C@@H](C)Oc1ccccc1
168365794	ZINC000278425316	ref	6.18	-9.2	0	248.334	1.794	2	6	5	CCC(CC)CNc1nc(N)c2cnn(C)c2n1
168365797	ZINC000278425316	low	6.69	-33.56	1	248.334	1.794	2	5	5	CCC(CC)CNc1nc2c(cnn2C)c(N)[nH+]1
168365798	ZINC000354621380	ref	4.69	-8.53	0	221.366	2.094	0	2	7	CCC(CC)CS(=O)(=O)N(CC)CC
282123889	ZINC000449156424	ref	3.33	-38.61	1	273.336	2.042	1	4	7	COc1nccnc1C[NH2+]C[C@H](C)Oc1ccccc1
178326442	ZINC000237718681	ref	5.97	-40.72	1	351.397	1.685	2	2	4	O=C(NC[C@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1)[C@H]1CCC[NH2+]1
136230340	ZINC000295629119	low	5.16	-42.9	1	244.298	2.058	1	4	5	C=CC[N@H+](C)Cc1nc(-c2cc(C)ccn2)no1
136230341	ZINC000295492641	ref	6.45	-12.29	0	232.239	1.795	1	3	3	CC#CC(=O)N[C@@H](C)c1ccc([N+](=O)[O-])cc1
136230342	ZINC000295630938	ref	4.73	-13.26	0	219.284	1.802	2	2	6	C=CCC[C@H](NC(=O)CO)c1ccccc1
136230343	ZINC000295623450	ref	3.43	-18.0	0	229.345	0.919	1	2	4	C#C[C@@H](NC(=O)C[S@](=O)CC)C(C)(C)C
136230344	ZINC000233223649	ref	7.09	-69.14	-1	243.303	1.125	0	4	5	CCCOCC(=O)N1CC[C@H](C)C[C@H]1C(=O)[O-]
136230345	ZINC000295465822	ref	6.79	-9.66	0	225.357	2.046	1	2	4	C#C[C@@H](NC(=O)CSC1CC1)C(C)(C)C
178326444	ZINC000237722482	ref	8.36	-71.19	1	356.474	1.682	2	5	5	Cc1cc(C)nc(-n2nc(C)c(CC(=O)N[C@H]3CCC[C@H]3C[NH3+])c2C)n1
282123893	ZINC000449156424	mid	1.91	-8.37	0	273.336	2.042	1	5	7	COc1nccnc1CNC[C@H](C)Oc1ccccc1
168365801	ZINC000083370692	ref	5.78	-6.32	0	242.344	2.778	1	5	6	CCC(CC)CNc1nc(C(=O)OC)cs1
365651093	ZINC000623090104	ref	0.62	-13.1	0	314.349	1.709	1	7	5	Cc1nnc(CNC(=O)c2cnc3c(cnn3CC(C)C)c2)o1
192340822	ZINC000421453273	ref	5.27	-8.33	0	225.332	2.109	1	2	7	COCCCCCNC(=O)[C@]12CCC[C@H]1C2
136230346	ZINC000295640420	ref	3.05	-8.01	0	225.288	0.567	1	3	4	CC#CCNC(=O)C[C@H]1CCOC[C@H]1OC
136230347	ZINC000295490832	ref	5.91	-9.37	0	211.305	2.05	1	2	8	C=CCCO[C@@H](C)C(=O)NC/C=C/CC
136230348	ZINC000233223795	ref	1.97	-13.34	0	228.292	0.137	1	3	5	CCCOCC(=O)N1CC[C@](C)(C(N)=O)C1
136230349	ZINC000295640424	ref	2.7	-7.28	0	225.288	0.567	1	3	4	CC#CCNC(=O)C[C@@H]1CCOC[C@H]1OC
168365803	ZINC000037061723	ref	8.2	-7.04	0	236.315	3.751	1	3	6	CCC(CC)CNc1ccc([N+](=O)[O-])cc1C
178326446	ZINC000237719976	ref	6.17	-70.29	0	357.476	1.512	2	5	6	C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1
365651098	ZINC000617487870	ref	-1.63	-12.08	0	286.291	0.976	2	5	5	NC(=O)c1coc(CNC(=O)c2ccnc(C3CC3)c2)n1
282123883	ZINC000248982490	mid	5.36	-35.53	1	310.825	1.701	3	2	6	C[C@H]1CC[N@@H+](CC(=O)NCCc2ccc(Cl)cc2)[C@H]1CO
259310087	ZINC000323048457	high	1.62	-5.43	0	238.331	1.995	1	4	7	CC[C@](C)(CNCc1cccc(OC)n1)OC
282123886	ZINC000248982490	high	3.09	-10.36	0	310.825	1.701	2	3	6	C[C@H]1CCN(CC(=O)NCCc2ccc(Cl)cc2)[C@H]1CO
214202218	ZINC000337660685	ref	3.71	-13.41	0	256.346	0.825	2	3	8	CN(CCOCCO)C(=O)NC(C1CC1)C1CC1
342603534	ZINC000590881086	ref	4.31	-9.01	0	292.335	1.162	1	5	3	CCOC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)nc1C
214202223	ZINC000337660099	ref	6.72	-13.51	0	264.369	2.201	1	3	8	COCC1(CNC(=O)CCCn2cccc2)CCC1
349536213	ZINC000621246082	mid	2.68	-42.96	1	266.389	2.048	2	4	6	CC(C)C[C@H](N)c1noc(CC[C@H]2CCC[NH2+]C2)n1
214202227	ZINC000337658013	ref	2.22	-9.06	0	285.294	2.077	2	3	6	CCOc1ncccc1CNC(=O)NC1(C(F)F)CC1
214202232	ZINC000337658899	ref	2.11	-10.31	0	292.326	0.984	1	4	4	CN1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)C1
214202234	ZINC000337658899	mid	4.53	-47.71	1	292.326	0.984	2	3	4	C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)C1
214202237	ZINC000337658899	mid	4.35	-41.66	1	292.326	0.984	2	3	4	C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2OC(F)F)C1
214202240	ZINC000337660933	ref	6.9	-26.14	0	298.31	-0.387	1	8	6	O=C(Cc1ccc(-n2cnnn2)cc1)NCCn1cncn1
178326447	ZINC000237719976	mid	6.23	-67.74	0	357.476	1.512	2	5	6	C[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1
178326449	ZINC000237719976	high	4.08	-51.62	-1	357.476	1.512	1	6	6	C[C@H]1CCCN(C(C)(C)CNS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)C1
178326451	ZINC000237706778	ref	5.2	-50.63	1	352.122	1.615	1	1	1	O=C(c1cc(I)c(F)cc1F)N1CC[NH2+]CC1
230240221	ZINC000343112791	ref	-2.1	-16.07	0	274.317	-1.205	3	5	8	C[C@H](OC[C@H]1CCCO1)C(=O)NCC(=O)NCCO
230240228	ZINC000343111595	ref	-2.05	-13.06	0	293.323	-1.05	4	4	7	Cc1ccccc1C(=O)NCC(=O)NCC(=O)NCCO
230240240	ZINC000343199666	ref	-2.54	-42.68	1	277.284	-1.37	4	4	6	O=C(C[C@@H]1NC(=O)NC1=O)NCCNc1cc[nH+]cc1
230240247	ZINC000343199666	high	-4.35	-63.16	0	277.284	-1.37	3	4	6	O=C(C[C@@H]1NC(=O)[N-]C1=O)NCCNc1cc[nH+]cc1
230240252	ZINC000343115408	ref	1.74	-21.54	0	285.344	-1.046	2	4	7	CCC[C@@H](O)CNC(=O)CN1CCN(CC)C(=O)C1=O
365651100	ZINC000623090974	ref	4.68	-39.45	1	306.385	1.367	2	4	8	CN(CC[N@H+](C)CCO)Cc1cnn(-c2ccc(F)cc2)c1
210255987	ZINC000272863344	high	4.77	-6.86	0	315.413	3.396	2	4	7	COc1cccc([C@@H](O)CN[C@H](C)c2ccc(OC)c(C)c2)c1
398250093	ZINC000649446402	ref	3.97	-9.4	0	237.324	2.836	1	4	5	C[C@H](O)CCCOc1ccc2cnsc2c1
178326450	ZINC000015441814	ref	9.21	-48.64	-1	200.306	3.951	0	1	1	Cc1ccc(-c2cccc([S-])c2)cc1
214202220	ZINC000278511066	ref	4.2	-18.73	0	318.373	1.477	2	4	4	CC(C)(C)[C@@H](CO)NC(=O)c1cccc(N2C(=O)CCC2=O)c1
365651108	ZINC000623090974	mid	4.67	-39.05	1	306.385	1.367	2	4	8	CN(CC[N@@H+](C)CCO)Cc1cnn(-c2ccc(F)cc2)c1
210255988	ZINC000265954613	ref	2.2	-18.51	0	355.46	0.951	2	4	7	COC[C@H]1CCN(C(=O)NCCNS(=O)(=O)c2ccc(C)cc2)C1
342603535	ZINC000590881245	ref	3.77	-11.41	0	250.254	1.19	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1ccc([N+](=O)[O-])cc1
342603536	ZINC000590870402	ref	8.31	-15.51	0	276.336	1.287	0	4	4	COC(=O)[C@@H]1CCCN1C(=O)CN(C)c1ccccc1
342603537	ZINC000590881173	ref	3.82	-11.25	0	268.244	1.329	1	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1cc(F)cc([N+](=O)[O-])c1
210255993	ZINC000272862010	ref	6.83	-20.33	0	315.377	2.196	1	6	5	CC[C@H]1C[C@@H](CC(=O)Nc2cccc(-n3cnnn3)c2)CCO1
365651114	ZINC000623090974	high	2.29	-7.77	0	306.385	1.367	1	5	8	CN(CCO)CCN(C)Cc1cnn(-c2ccc(F)cc2)c1
210255999	ZINC000265954795	ref	1.89	-48.03	1	368.459	0.052	4	4	7	Cc1ccc(NC(=O)C(=O)NCC[NH+](C)C)cc1S(=O)(=O)NC1CC1
214202224	ZINC000278510782	ref	8.81	-15.74	0	324.428	3.373	2	3	7	Cc1nccn1CCCNC(=O)C[C@H](C)c1c[nH]c2ccccc12
214202228	ZINC000278510782	mid	9.28	-39.21	1	324.428	3.373	2	2	7	Cc1[nH+]ccn1CCCNC(=O)C[C@H](C)c1c[nH]c2ccccc12
214202230	ZINC000278511045	ref	5.25	-16.16	0	319.327	2.417	1	3	4	COC[C@@H](C)C(=O)N1CCC[C@H](c2nc(C(F)(F)F)c[nH]2)C1
210256000	ZINC000272863710	ref	8.1	-47.13	1	301.781	2.452	1	4	5	C[N@H+](CCc1cnccn1)Cc1cnc2ccc(Cl)cn12
210256004	ZINC000272863710	mid	7.99	-47.51	1	301.781	2.452	1	4	5	C[N@@H+](CCc1cnccn1)Cc1cnc2ccc(Cl)cn12
342603538	ZINC000590870355	ref	7.16	-18.26	0	275.295	1.484	0	3	2	COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N1C[C@H](F)[C@H](F)C1
342603539	ZINC000590870352	ref	6.69	-13.78	0	275.295	1.484	0	3	2	COC(=O)[C@@H]1CCCC[C@H]1C(=O)N1C[C@H](F)[C@H](F)C1
210256008	ZINC000272863710	mid	5.65	-8.94	0	301.781	2.452	0	5	5	CN(CCc1cnccn1)Cc1cnc2ccc(Cl)cn12
342603540	ZINC000590870176	ref	1.42	-10.66	0	256.346	1.014	3	3	6	C[C@H](C[C@H]1CCCO1)NC(=O)NC[C@H](O)C1CC1
214202221	ZINC000053886719	ref	7.33	-16.13	0	331.416	2.255	1	3	4	CC(C)CC(=O)N(C)CC(=O)N1c2ccccc2NC(=O)C[C@H]1C
365651101	ZINC000641615343	mid	3.74	-39.86	1	289.383	1.03	2	4	2	C[N@H+]1CCN(c2cc(C(N)=O)ncn2)CC12CCCCC2
365651106	ZINC000641615343	high	1.5	-6.51	0	289.383	1.03	1	5	2	CN1CCN(c2cc(C(N)=O)ncn2)CC12CCCCC2
365651110	ZINC000641615297	ref	1.16	-13.26	0	298.408	1.341	2	5	3	CC(C)(C)c1ccnc(NC[C@]2(O)CCS(=O)(=O)C2)c1
365651117	ZINC000641615297	mid	1.64	-45.15	1	298.408	1.341	2	4	3	CC(C)(C)c1cc[nH+]c(NC[C@]2(O)CCS(=O)(=O)C2)c1
210256009	ZINC000265954795	high	-0.58	-13.62	0	368.459	0.052	3	5	7	Cc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)NC1CC1
365651126	ZINC000641615110	ref	5.35	-10.95	0	274.368	1.526	1	4	2	Cc1cncnc1N1CCC([C@H]2NC(=O)C2(C)C)CC1
214202225	ZINC000053848080	ref	2.59	-47.62	-1	347.421	2.092	1	5	4	O=c1nc(-c2ccc(S(=O)(=O)NC3CC3)cc2)[n-]c2ccsc12
214202229	ZINC000053848080	mid	2.94	-24.75	0	347.421	2.092	2	5	4	O=c1nc(-c2ccc(S(=O)(=O)NC3CC3)cc2)[nH]c2ccsc12
342603541	ZINC000617007164	ref	6.65	-38.96	1	290.411	1.707	2	3	5	Cc1nccc(CCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)n1
168365806	ZINC000037134212	ref	5.43	-5.26	0	217.316	3.411	2	2	5	CCC(CC)CNc1ccc2cn[nH]c2c1
197611377	ZINC000163096630	ref	5.58	-16.35	0	302.374	2.105	1	3	5	COc1ccc(N(C(=O)[C@H]2CCC(=O)N2)[C@@H](C)C2CC2)cc1
342603542	ZINC000617007164	mid	5.53	-39.15	1	290.411	1.707	2	3	5	Cc1nccc(CCC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)n1
282123887	ZINC000279010392	ref	3.0	-52.01	1	315.381	0.131	3	5	3	Cc1nc2n(n1)C[C@H](NC(=O)c1cc([C@@H]3CC[NH2+]C3)n[nH]1)CC2
197611383	ZINC000163101844	ref	6.31	-9.73	0	316.376	3.238	1	3	2	CC[C@H]1CCCN(C(=O)c2cnc3c(C)cc(F)cc3c2O)C1
365651131	ZINC000641615369	ref	1.63	-10.39	0	297.367	1.502	2	3	5	C[C@@]1(CS(=O)(=O)NCC2CCC(O)CC2)CC1(F)F
365651139	ZINC000641615467	ref	2.57	-11.79	0	283.397	1.437	1	4	6	Cc1cncc(CCNS(=O)(=O)CC2(C)CCC2)n1
197611385	ZINC000163101844	high	8.16	-42.55	-1	316.376	3.238	0	2	2	CC[C@H]1CCCN(C(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)C1
342603543	ZINC000617007164	high	3.63	-8.84	0	290.411	1.707	1	4	5	Cc1nccc(CCC(=O)NC[C@H]2CCN2C(C)(C)C)n1
365651149	ZINC000641615368	ref	1.54	-5.74	0	268.313	1.633	1	5	3	COCC1(O)CN(c2nc3ccc(F)cc3s2)C1
342603544	ZINC000590881085	ref	4.39	-12.32	0	264.281	1.499	1	4	2	Cc1cc(C(=O)N2CC[C@@H](O)[C@H]2C)ccc1[N+](=O)[O-]
342603545	ZINC000590881135	ref	6.6	-10.67	0	285.347	1.983	0	4	3	CO[C@H]1C[C@H](N(C)C(=O)c2cccc(C#N)n2)C12CCC2
342603546	ZINC000617007080	ref	3.43	-45.57	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21
342603547	ZINC000617007080	mid	4.06	-45.87	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21
342603548	ZINC000617007080	mid	3.62	-36.28	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21
214202222	ZINC000293801581	ref	1.66	-13.45	0	351.447	0.572	2	5	8	CNC(=O)N1CCN(C[C@@H](O)COc2ccc(CCOC)cc2)CC1
349536216	ZINC000621246369	ref	2.77	-37.91	1	265.357	2.256	1	4	4	COCC1(c2nc(C3([NH3+])CCC3)no2)CCCCC1
214202226	ZINC000293801581	low	3.92	-52.79	1	351.447	0.572	3	4	8	CNC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(CCOC)cc2)CC1
349536220	ZINC000621246369	mid	2.5	-7.25	0	265.357	2.256	1	5	4	COCC1(c2nc(C3(N)CCC3)no2)CCCCC1
349536225	ZINC000621245745	ref	4.16	-7.38	0	265.357	2.258	1	3	5	CCCNC(=O)N(C)Cc1c(C)cc(C)nc1OC
349536229	ZINC000621245249	ref	2.61	-8.94	0	292.36	2.133	1	5	6	COc1cc(C(=O)NCCc2ccccc2OC)sn1
349536233	ZINC000621244765	ref	3.68	-7.96	0	293.111	2.47	2	1	3	CNC(=O)NCC(F)(F)c1ccc(Br)cc1
349536235	ZINC000621245252	ref	3.84	-11.03	0	266.316	2.308	2	2	2	C[C@@H]1CCN(C(=O)Nc2cccc(F)c2)C[C@@H]1CO
349536239	ZINC000621244429	ref	5.82	-41.81	1	289.37	2.205	3	1	6	C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[C@@H]1CC1(F)F
349536243	ZINC000621244429	mid	6.13	-41.14	1	289.37	2.205	3	1	6	C[C@@H]1CCCC[N@H+]1CCNC(=O)NCC[C@@H]1CC1(F)F
349536244	ZINC000621244429	high	4.0	-9.93	0	289.37	2.205	2	2	6	C[C@@H]1CCCCN1CCNC(=O)NCC[C@@H]1CC1(F)F
349536247	ZINC000621245255	ref	4.08	-11.18	0	266.316	2.308	2	2	2	C[C@H]1CCN(C(=O)Nc2cccc(F)c2)C[C@@H]1CO
349536249	ZINC000621245054	ref	5.54	-40.17	1	283.335	2.333	2	5	5	C[NH+](C)[C@H](CNc1nccc2nccnc12)c1ccco1
349536252	ZINC000621245054	mid	3.0	-9.36	0	283.335	2.333	1	6	5	CN(C)[C@H](CNc1nccc2nccnc12)c1ccco1
197611388	ZINC000290146917	ref	8.21	-27.51	1	267.438	3.353	1	2	7	CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1SC
229488693	ZINC000301082580	ref	3.89	-10.93	0	316.327	1.676	1	4	4	CCN1CCN(C(=O)CNc2ccc(C(F)(F)F)cn2)CC1
229488700	ZINC000301082580	mid	6.23	-49.89	1	316.327	1.676	2	3	4	CC[NH+]1CCN(C(=O)CNc2ccc(C(F)(F)F)cn2)CC1
178326452	ZINC000015441814	mid	8.67	-3.56	0	200.306	3.951	1	1	1	Cc1ccc(-c2cccc(S)c2)cc1
178326453	ZINC000032002931	ref	6.27	-52.42	-1	228.247	3.066	1	3	2	Cc1ccc(-c2cccc(O)c2)c(C(=O)[O-])c1
178326454	ZINC000065340364	ref	6.36	-51.84	-1	228.247	3.066	1	3	2	Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1O
214202231	ZINC000293800969	ref	3.97	-20.71	0	363.342	0.979	0	5	4	CN(C(=O)c1cc(F)c([N+](=O)[O-])cc1F)[C@H]1CCN(S(C)(=O)=O)C1
178326456	ZINC000002565544	ref	9.14	-52.57	-1	212.248	3.36	0	2	2	Cc1ccc(-c2cccc(C(=O)[O-])c2)cc1
214202235	ZINC000293796483	ref	1.22	-14.96	0	354.428	0.978	2	5	6	COc1cc(NC(=O)C(=O)NCC2([S@@](C)=O)CC2)cc(OC)c1C
398250096	ZINC000126735473	ref	2.99	-11.6	0	232.283	1.305	2	3	4	CC(C)[C@H](O)CNC(=O)c1cccc(C#N)c1
168365809	ZINC000037134212	mid	5.6	-9.58	0	217.316	3.411	2	2	5	CCC(CC)CNc1ccc2c[nH]nc2c1
178326460	ZINC000074937813	ref	8.92	-9.54	0	211.239	3.673	0	1	1	Cc1ccc(-c2ccccc2C#N)cc1F
178326462	ZINC000040174809	ref	9.63	-5.75	0	207.276	3.842	0	1	1	Cc1ccc(-c2cccc(C#N)c2)c(C)c1
197611389	ZINC000163099720	ref	7.22	-10.59	0	307.434	2.84	1	3	8	CCN(CCO)C(=O)C(C)(C)c1ccc(OCC(C)C)cc1
398250104	ZINC000076957426	ref	7.58	-11.37	0	230.311	2.358	0	2	1	C[C@@H]1c2cccn2CCN1C(=O)C1CC=CC1
214202242	ZINC000293802597	ref	0.45	-20.33	0	356.444	0.27	2	5	7	COC[C@@H]1CCN1C(=O)[C@H](NS(=O)(=O)c1ccc(C)cc1)[C@H](C)O
214202245	ZINC000293802855	ref	5.54	-21.0	0	371.415	0.774	0	6	6	Cc1cc(OCC(=O)N(C)[C@@H]2CCN(S(C)(=O)=O)C2)ccc1[N+](=O)[O-]
214202249	ZINC000293799923	ref	4.81	-30.17	0	353.382	0.931	2	4	3	C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H](c2nc(=O)[nH][nH]2)C1
282123888	ZINC000151701039	ref	7.6	-42.36	1	324.513	2.236	2	2	7	CCC[C@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1
398250107	ZINC000076957650	ref	3.66	-8.78	0	205.261	1.003	1	3	3	Cn1nccc1CNC(=O)C1CC=CC1
398250114	ZINC000390816895	ref	4.12	-104.69	2	212.337	1.095	1	2	4	COCC[C@H](C)N1CC[C@@H]2CC[NH2+][C@H]2C1
168367905	ZINC000336737198	ref	0.89	-54.51	1	236.381	0.937	2	2	8	CCC(CC)CS(=O)(=O)NC[C@H](C)C[NH3+]
192340825	ZINC000421453228	ref	5.04	-10.88	0	237.347	2.218	1	3	5	CCCC(C)(C)NC(=O)[C@@H](C)c1ccnn1C
192340827	ZINC000421452649	ref	7.93	-6.15	0	244.338	2.871	0	2	3	CCN(C(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccncc1
192340829	ZINC000421456301	ref	7.38	-6.93	0	209.333	2.727	1	1	5	CC(C)CC[C@@H](C)NC(=O)[C@@H]1CC12CC2
192340832	ZINC000421451605	ref	8.55	-7.26	0	209.333	2.68	0	1	4	CCN(C(=O)[C@H]1CC12CC2)[C@H](C)C(C)C
214202233	ZINC000278511045	mid	5.17	-11.28	0	319.327	2.417	1	3	4	COC[C@@H](C)C(=O)N1CCC[C@H](c2ncc(C(F)(F)F)[nH]2)C1
214202236	ZINC000278510060	ref	4.65	-44.88	1	312.215	1.935	2	3	5	Cc1cc(C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)[nH]n1
214202238	ZINC000278510060	mid	4.58	-37.74	1	312.215	1.935	2	3	5	Cc1cc(C[C@@H](C)[NH2+]Cc2c(Br)cnn2C)n[nH]1
178326455	ZINC000237706778	mid	3.92	-7.11	0	352.122	1.615	1	2	1	O=C(c1cc(I)c(F)cc1F)N1CCNCC1
398250097	ZINC000649446380	ref	5.88	-9.37	0	237.324	3.1	0	4	5	CC(C)OCCOc1ccc2cnsc2c1
214202241	ZINC000278510060	high	3.51	-6.58	0	312.215	1.935	2	4	5	Cc1cc(C[C@@H](C)NCc2c(Br)cnn2C)n[nH]1
214202244	ZINC000278510060	high	3.5	-7.09	0	312.215	1.935	2	4	5	Cc1cc(C[C@@H](C)NCc2c(Br)cnn2C)[nH]n1
214202247	ZINC000278509592	ref	4.96	-16.35	0	304.375	2.772	1	5	3	COc1nnc(NC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)s1
214202252	ZINC000278510759	ref	6.15	-18.47	0	300.358	2.155	1	4	4	C[C@H]1COCC[C@H]1NC(=O)COc1cccc2cccnc12
185091649	ZINC000096081187	ref	4.64	-16.16	0	292.335	1.05	0	4	4	COCCN1C(=O)C[C@H]2[C@H]1CCN2C(=O)c1ccc(C)o1
197611390	ZINC000290146788	ref	7.07	-8.11	0	284.363	2.728	0	5	3	Cn1ncc2c1C[C@@H](c1nc(CC3=CCCC3)no1)CC2
342603549	ZINC000617007080	mid	5.18	-36.98	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21
214202255	ZINC000278510532	ref	2.73	-14.49	0	312.316	1.138	3	3	7	C=C[C@](C)(O)CC(=O)NCCNC(=O)c1c(F)cccc1F
192340836	ZINC000421453381	ref	7.16	-9.65	0	211.305	1.671	0	2	6	CCOCCN(CC)C(=O)[C@H]1CC12CC2
342603550	ZINC000617007080	high	1.19	-13.14	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21
342603551	ZINC000617007080	high	2.29	-8.4	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21
342603552	ZINC000617006963	ref	0.28	-44.29	1	279.34	1.095	4	3	3	CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cc(O)cc(=O)[nH]1
299072544	ZINC000567668752	mid	7.28	-11.22	0	290.407	2.398	1	3	4	CC(C)c1ccccc1OCC(=O)N1C[C@H](C)N[C@@H](C)C1
214202260	ZINC000278509861	ref	10.36	-11.18	0	307.463	3.463	1	4	6	CSCCCCC(=O)Nc1ncc2c(n1)CCC(C)(C)C2
197611401	ZINC000290148653	ref	1.99	-4.12	0	277.187	2.126	0	4	2	C[C@@H]1COCCN1Cc1cnc(Br)s1
214202261	ZINC000278511075	ref	5.7	-8.01	0	301.333	2.411	1	3	8	CC[C@@H](NC(=O)CCc1ccc(F)cc1F)C(OC)OC
214202265	ZINC000278509869	ref	9.44	-43.24	1	304.459	3.296	2	2	7	COCCSCCC[N@@H+]1CCc2[nH]c3ccccc3c2C1
178326459	ZINC000237717686	ref	5.92	-40.32	1	351.397	1.685	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2ccc(F)c(F)c2)C1)[C@@H]1CCC[NH2+]1
214202239	ZINC000053871995	ref	1.78	-13.27	0	328.434	1.274	2	4	9	COCCNS(=O)(=O)c1ccc(CNC(=O)CC(C)C)cc1
210256012	ZINC000265953945	ref	2.21	-20.36	0	356.444	0.928	1	5	8	COCCOCCNC(=O)c1ccc(N2CCCS2(=O)=O)cc1C
282123890	ZINC000370988837	ref	2.52	-7.87	0	312.454	2.288	3	3	6	CCC(CC)(CO)CNC(=O)N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C
178326461	ZINC000237721291	ref	8.9	-59.63	1	356.474	1.554	2	5	5	Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC[C@@H]3CCC[NH2+]C3)c2C)n1
178326463	ZINC000237716925	ref	8.28	-55.53	1	365.474	1.595	1	3	3	O=C(C[C@H]1CSCC[NH2+]1)N1CCCN(C(=O)c2ccc(F)cc2)CC1
178326465	ZINC000237716925	high	7.23	-18.31	0	365.474	1.595	1	4	3	O=C(C[C@H]1CSCCN1)N1CCCN(C(=O)c2ccc(F)cc2)CC1
210256017	ZINC000272862325	ref	6.71	-11.65	0	318.373	1.569	0	5	4	COC(=O)[C@H]1C[C@@H]1C(=O)N1CCC(Oc2cc(C)ccn2)CC1
210256020	ZINC000265953757	ref	1.48	-12.89	0	355.391	0.729	3	4	5	C[C@H]1C[C@H]1NC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)NC2CC2)c1
178326467	ZINC000237720585	ref	6.3	-54.25	-1	351.428	1.905	2	6	8	Cc1sc2nc(CCC(=O)NCCCCC(=O)[O-])[nH]c(=O)c2c1C
210256023	ZINC000272862086	ref	7.5	-15.88	0	321.446	2.788	0	5	3	Cc1cn2c(CN(C)C(=O)[C@@]3(C)CCCOC3)c(C)nc2s1
178326470	ZINC000237722895	ref	3.87	-63.4	1	351.472	1.486	1	3	3	CC(=O)N1c2ccc(S(=O)(=O)N3CCCC[C@H]3C[NH3+])cc2C[C@@H]1C
178326473	ZINC000237720827	ref	3.35	-54.96	1	356.426	1.577	2	4	5	Cc1nc(-c2ccco2)ccc1C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1
178326474	ZINC000237724627	ref	5.5	-54.0	1	372.238	1.53	2	2	4	O=C(NCCC(=O)N1CCC[NH2+]CC1)c1cc(F)ccc1Br
178326475	ZINC000237724627	high	4.15	-15.97	0	372.238	1.53	2	3	4	O=C(NCCC(=O)N1CCCNCC1)c1cc(F)ccc1Br
178326477	ZINC000237719603	ref	1.98	-8.47	0	368.121	1.496	2	3	2	O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1COCCN1
178326478	ZINC000237719603	low	3.38	-46.51	1	368.121	1.496	2	2	2	O=C(Nc1cc(F)c(I)c(F)c1)[C@H]1COCC[NH2+]1
398250099	ZINC000448145684	ref	1.88	-47.95	-1	278.356	1.304	2	3	3	CC(C)(C)[C@H](O)CNC(=O)N=c1ccc(C2CC2)n[n-]1
323005710	ZINC000561706289	ref	7.37	-45.45	-1	241.331	2.326	1	3	7	CCCC[C@H]1CCC[C@H]1NC(=O)CCC(=O)[O-]
168365811	ZINC000134679982	ref	7.88	-6.8	0	237.303	3.146	1	4	6	CCC(CC)CNc1nccc(C)c1[N+](=O)[O-]
398254297	ZINC000381590220	high	6.19	-33.8	1	246.345	2.481	2	1	3	C[C@@H]1C[C@H](CN)C[N@H+]1C[C@@H]1CCCCC1(F)F
214202243	ZINC000053863332	ref	5.28	-15.92	0	329.381	2.154	2	4	4	C[C@]1(c2cccs2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O
342603553	ZINC000617006963	mid	1.85	-43.4	1	279.34	1.095	4	3	3	CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)c1cc(O)cc(=O)[nH]1
365651105	ZINC000124425122	ref	4.26	-6.36	0	267.3	2.176	0	4	3	C[C@H]1CN(CCC2OCCO2)c2ccc(F)cc2O1
342603554	ZINC000617006963	high	-1.06	-10.62	0	279.34	1.095	3	4	3	CC(C)(C)N1CC[C@@H]1CNC(=O)c1cc(O)cc(=O)[nH]1
365651116	ZINC000124440339	ref	4.72	-11.93	0	273.323	2.041	1	2	1	O=C(C1CCC(F)(F)CC1)N1C[C@H]2[C@@H](O)CC[C@H]2C1
214202250	ZINC000053846142	ref	7.24	-53.54	-1	326.308	2.062	1	6	5	COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OCC(=O)[O-]
398250100	ZINC000651469218	high	4.64	-5.13	0	259.296	3.481	1	3	5	C[C@H](NC1CCC(OC(F)F)CC1)c1ccco1
214202263	ZINC000053857719	ref	10.13	-14.1	0	340.379	3.437	1	4	8	CCc1ccc(C(=O)CCC(=O)NCc2ccccc2[N+](=O)[O-])cc1
365651122	ZINC000124447160	ref	6.23	-12.99	0	288.347	2.011	1	4	5	C[C@H](Oc1ccc(C#N)cc1)C(=O)NC[C@]1(C)CCCO1
342603555	ZINC000617006978	ref	4.96	-36.83	1	250.289	1.215	2	2	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)COC(F)F
365651133	ZINC000124447258	ref	6.18	-9.67	0	271.32	2.238	0	4	1	Cn1nccc1C(=O)N1CC(C)(C)Oc2ccccc21
365651144	ZINC000124385707	ref	7.18	-7.65	0	257.33	2.054	0	4	4	CC[C@@H](C)COC(=O)[C@H]1CCCN(C(=O)OC)C1
365651153	ZINC000124431650	ref	5.18	-10.66	0	282.343	2.078	1	3	1	O=C(c1ccc2ccccc2n1)N1C[C@H]2[C@H](O)CC[C@H]2C1
365651167	ZINC000124418142	ref	3.27	-9.16	0	254.355	2.003	1	4	4	CCc1ncsc1C(=O)N[C@@H]1CCC[C@H]1OC
342603556	ZINC000617006978	mid	3.49	-39.75	1	250.289	1.215	2	2	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)COC(F)F
365651184	ZINC000124383401	ref	4.02	-11.52	0	267.3	2.0	1	3	7	COCCCNC(=O)/C=C/c1ccc(F)c(OC)c1
342603557	ZINC000617006978	high	1.93	-9.25	0	250.289	1.215	1	3	5	CC(C)(C)N1CC[C@H]1CNC(=O)COC(F)F
342603558	ZINC000590881154	ref	5.39	-16.82	0	278.308	1.427	1	4	3	Cc1c(CC(=O)N2CC[C@@H](O)[C@H]2C)cccc1[N+](=O)[O-]
197611404	ZINC000163100503	ref	4.49	-42.91	1	302.216	2.147	1	3	5	C[NH2+][C@H]1CC[C@H](c2c(Br)cnn2CCOC)C1
398250103	ZINC000651469271	ref	5.88	-42.26	1	270.323	3.283	1	2	5	C[C@H]([NH2+]C1CCC(OC(F)F)CC1)c1cccnc1
342603559	ZINC000590881103	ref	4.65	-11.44	0	290.275	1.936	1	5	2	C[C@@H]1[C@H](O)CCN1C(=O)c1cc2cc([N+](=O)[O-])ccc2o1
342603560	ZINC000590881235	ref	4.83	-23.09	0	274.32	1.307	1	4	3	C[C@@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](O)[C@H]1C
185091651	ZINC000096081347	ref	7.13	-56.1	1	284.319	1.449	1	4	3	O=C1C[C@H]2[C@H](CC[N@@H+]2Cc2ccco2)N1c1cncnc1
306234774	ZINC000557931844	ref	6.07	-16.57	0	330.428	1.627	2	3	3	CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NC[C@]1(O)CCC[C@@H]1C
306234775	ZINC000557937983	ref	3.85	-13.67	0	336.436	1.756	2	5	6	Cn1nccc1[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H]1CCCCO1
365651107	ZINC000617488061	ref	-2.81	-13.81	0	289.295	0.364	2	6	5	CCc1nnc(C)cc1C(=O)NCc1nc(C(N)=O)co1
197611403	ZINC000290147575	ref	7.63	-46.24	1	290.382	2.596	1	1	2	Cc1ccc(F)cc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1
342603561	ZINC000590870376	ref	6.41	-12.98	0	282.315	1.992	1	3	3	CCOC(=O)c1[nH]c(C)c(C(=O)N2CC[C@@H](F)C2)c1C
342603562	ZINC000590870177	ref	1.99	-8.48	0	256.346	1.014	3	3	6	C[C@H](C[C@@H]1CCCO1)NC(=O)NC[C@H](O)C1CC1
295667011	ZINC000412997084	ref	6.48	-9.67	0	303.33	2.684	0	4	6	CCN1OC[C@H](SCc2cccc(OC(F)F)c2)C1=O
365651113	ZINC000617487310	ref	-3.26	-10.62	0	295.339	0.721	3	5	4	CC1(C)CCC[C@@](O)(C(=O)NCc2nc(C(N)=O)co2)C1
365651124	ZINC000617488224	ref	-2.74	-11.7	0	255.274	0.061	2	5	6	CO[C@H](C(=O)NCc1nc(C(N)=O)co1)C(C)C
365651135	ZINC000617488001	ref	-2.66	-12.64	0	269.301	0.595	2	5	8	CC(C)OCCCC(=O)NCc1nc(C(N)=O)co1
295667013	ZINC000412995651	ref	7.39	-9.7	0	316.426	2.665	1	4	4	CCc1sc(=O)n(C[C@H]2CCCNC2=O)c1-c1ccccc1
365651143	ZINC000617487368	ref	-3.32	-11.04	0	295.217	0.357	2	5	6	CO[C@@H](CC(=O)NCc1nc(C(N)=O)co1)C(F)(F)F
295667016	ZINC000412994162	ref	0.74	-9.03	0	322.386	2.835	1	7	6	CCC[C@@H](O)CSc1nnc([C@H]2COc3ccccc3O2)o1
168365813	ZINC000304272632	ref	2.15	-10.34	0	249.376	1.209	1	3	8	CCC(CC)CS(=O)(=O)N(CCO)C1CC1
297220926	ZINC000273957049	ref	5.66	-44.06	-1	269.291	2.931	0	2	1	C[C@H]1CCN(C(=O)c2cc(F)c([O-])c(F)c2)[C@H](C)C1
342603563	ZINC000617006964	ref	1.9	-42.21	1	279.34	1.095	4	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cc(O)cc(=O)[nH]1
342603564	ZINC000617006964	mid	0.29	-44.43	1	279.34	1.095	4	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)c1cc(O)cc(=O)[nH]1
214202246	ZINC000337658200	ref	6.61	-40.89	1	293.436	2.172	3	2	7	C[C@H](CNC(=O)NCC[NH+]1CCC1)Sc1ccccc1
214202248	ZINC000337658200	mid	3.44	-9.51	0	293.436	2.172	2	3	7	C[C@H](CNC(=O)NCCN1CCC1)Sc1ccccc1
168365816	ZINC000305661883	ref	1.51	-9.89	0	237.365	1.065	1	3	7	CCC(CC)CS(=O)(=O)N(C)[C@H](C)CO
259310088	ZINC000400950375	ref	3.59	-40.1	1	242.363	0.995	3	2	6	CC[C@@H](C)NC(=O)C[NH+]1CCC(CCO)CC1
398250101	ZINC000381297291	ref	4.59	-36.66	1	212.337	1.759	1	1	3	CC(C)[C@H]([NH3+])CC(=O)N1[C@@H](C)CC[C@H]1C
398250105	ZINC000381293337	ref	8.01	-13.74	0	236.254	0.304	1	6	5	CCc1ncnc(NCCn2cnnc2)c1F
168365818	ZINC000037290460	ref	6.09	-5.16	0	225.307	3.682	1	2	6	CCC(CC)CNc1ccc(OC)c(F)c1
168365820	ZINC000036966980	ref	7.82	-6.31	0	240.278	3.582	1	3	6	CCC(CC)CNc1ccc(F)cc1[N+](=O)[O-]
168365822	ZINC000289225756	ref	7.13	-8.56	0	233.311	3.205	1	3	5	CCC(CC)CNc1cccc2c1COC2=O
214202251	ZINC000337657488	ref	4.45	-14.15	0	283.328	-0.044	1	4	5	COC(=O)CCCNC(=O)N1CCN(C2CC2)C(=O)C1
178326471	ZINC000098179247	ref	6.05	-53.74	-1	214.224	2.15	0	4	2	Cc1ccc(-c2cccc(C(=O)[O-])n2)nc1
214202253	ZINC000337657494	ref	1.31	-12.96	0	282.319	0.663	3	3	6	Cc1ccc(CNC(=O)N[C@@H](C)C(=O)NCCF)cn1
214202257	ZINC000337658168	ref	3.89	-8.46	0	263.328	2.193	2	2	5	CC(C)[C@H](CO)C(=O)NC[C@H]1CCCC(F)(F)C1
214202258	ZINC000337658352	ref	7.68	-13.08	0	282.296	3.386	0	5	4	Cc1nc(COc2ccc(F)cc2[N+](=O)[O-])c(C)s1
214202262	ZINC000337657681	ref	1.53	-17.81	0	269.345	0.162	2	3	3	C[C@H](O)C[C@H]1CCCN1C(=O)N[C@@H]1CC(=O)N(C)C1
365651109	ZINC000576649687	ref	-0.42	-10.19	0	248.348	-0.113	1	3	3	C[C@H]1CCN(S(=O)(=O)N2CC(C)(CO)C2)C1
282123891	ZINC000248986671	ref	-0.08	-12.43	0	316.423	1.363	2	6	7	CO[C@H](C)c1nc(C)c(C(=O)N(C[C@H](C)O)[C@H](C)CO)s1
136230350	ZINC000295466979	ref	2.89	-9.69	0	227.214	1.304	1	3	5	C=CCC(F)(F)C(=O)NCc1cccnn1
365651119	ZINC000576648060	ref	5.33	-12.71	0	241.298	1.666	1	5	2	N#CCC1CCN(c2ccc(C#N)c(N)n2)CC1
282123896	ZINC000248984908	ref	2.18	-36.41	1	314.813	1.02	4	3	8	C[C@@H](O)C[N@H+](CC(=O)NCc1cccc(Cl)c1)[C@H](C)CO
398250111	ZINC000649445830	ref	4.83	-8.94	0	235.308	2.712	0	4	3	CC1(COc2ccc3cnsc3c2)COC1
168365825	ZINC000091010333	ref	6.13	-8.18	0	223.32	2.111	1	4	6	CCC(CC)CNc1nccn(CC)c1=O
178326476	ZINC000034453788	ref	9.52	-50.16	-1	226.275	3.669	0	2	2	Cc1ccc(-c2ccccc2C(=O)[O-])c(C)c1
178326479	ZINC000065349861	ref	6.36	-51.6	-1	242.274	2.853	1	3	3	Cc1ccc(-c2ccccc2CO)c(C(=O)[O-])c1
282123903	ZINC000248984908	mid	2.63	-34.96	1	314.813	1.02	4	3	8	C[C@@H](O)C[N@@H+](CC(=O)NCc1cccc(Cl)c1)[C@H](C)CO
342090641	ZINC000616319363	ref	6.99	-15.88	0	287.363	1.876	1	4	2	Cc1ccn2cnc(C(=O)N3CCC[C@@H](CO)[C@H]3C)c2c1
282123907	ZINC000248984908	mid	-0.27	-10.33	0	314.813	1.02	3	4	8	C[C@@H](O)CN(CC(=O)NCc1cccc(Cl)c1)[C@H](C)CO
398250116	ZINC000381294749	ref	4.19	-36.54	1	228.38	1.731	1	2	7	CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCN(CC)C1)OC
230745539	ZINC000425615663	ref	5.77	-14.78	0	314.267	2.126	0	5	4	COc1ccnc(N(C)C(=O)c2ccnn2CC(F)(F)F)c1
214202256	ZINC000293799923	mid	3.96	-66.61	-1	353.382	0.931	1	4	3	C=C1c2ccccc2C(=O)N1CC(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1
342603565	ZINC000617006964	high	-1.75	-10.57	0	279.34	1.095	3	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)c1cc(O)cc(=O)[nH]1
178326480	ZINC000065349489	ref	9.38	-58.81	-1	230.238	3.499	0	2	2	Cc1ccc(-c2cccc(F)c2C(=O)[O-])cc1
214202259	ZINC000293803996	ref	3.81	-13.72	0	350.371	0.805	1	6	6	COCc1cc(NC(=O)C(=O)N2CC[C@@H]2COC)cc(C(=O)OC)c1
214202264	ZINC000293793672	ref	4.58	-11.5	0	362.43	0.881	1	6	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1
214202271	ZINC000293805804	ref	4.58	-23.66	0	358.398	0.617	1	7	5	COC(=O)c1cn(CC(=O)N2CCC(CO)(c3ccccc3)CC2)nn1
349536226	ZINC000258932383	mid	4.24	-43.76	1	248.326	1.427	2	3	4	N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc2c(c1)OCO2
214202274	ZINC000293793662	ref	4.53	-11.52	0	362.43	0.881	1	6	4	COC[C@@H]1CCN1C(=O)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)nc1
214202278	ZINC000293807263	ref	7.19	-13.85	0	366.422	0.53	1	7	1	Cc1nc(NC(=O)C(=O)N2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)nn1C
214202282	ZINC000293806400	ref	5.52	-29.1	0	360.366	0.554	2	6	4	C[C@H]1C[C@H](NC(=O)c2ccc(C(=O)N[C@H]3C[C@@H](C)OC3=O)cc2)C(=O)O1
214202286	ZINC000293796474	ref	2.94	-17.74	0	363.414	0.963	1	6	2	CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)[C@H](O)c1cccnc1)CCO2
214202294	ZINC000293800256	ref	1.9	-19.39	0	350.371	0.54	2	6	5	COCc1cc(NC(=O)[C@H]2C[C@H](O)CN2C(C)=O)cc(C(=O)OC)c1
192340840	ZINC000421451413	ref	5.99	-11.91	0	233.315	2.278	1	3	3	CCn1cc(NC(=O)[C@@H]2CC[C@H]3C[C@H]3C2)cn1
214202299	ZINC000293799646	ref	5.69	-12.1	0	350.346	0.92	1	5	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc3c(c2)CCO3)C1
214202303	ZINC000293797595	ref	6.35	-12.16	0	351.309	0.995	1	5	4	CCOC(=O)[C@H](F)C1CN(C(=O)C(=O)Nc2ccc(F)cc2C#N)C1
214202306	ZINC000293803541	ref	3.02	-18.11	0	365.411	0.858	1	7	8	COC(=O)COc1ccc(S(=O)(=O)NCCc2nccnc2C)cc1
342603566	ZINC000590870300	ref	3.24	-12.19	0	262.309	1.495	2	4	3	C[C@H](N(C)C(=O)c1cc(O)cc(C#N)c1)C(C)(C)O
136230351	ZINC000295466979	high	1.32	-44.52	-1	227.214	1.304	0	3	5	C=CCC(F)(F)C(=O)[N-]Cc1cccnn1
342603567	ZINC000590870300	mid	3.99	-39.26	-1	262.309	1.495	1	4	3	C[C@H](N(C)C(=O)c1cc([O-])cc(C#N)c1)C(C)(C)O
210256022	ZINC000004712342	ref	7.33	-28.25	0	345.742	1.751	1	5	1	CC(=O)NC1=NC(=O)/C(=C\c2coc3ccc(Cl)cc3c2=O)N1C
178326481	ZINC000237720725	ref	8.25	-68.37	1	356.474	1.825	2	5	4	Cc1cc(C)nc(-n2nc(C)c(CC(=O)NC3CCC([NH3+])CC3)c2C)n1
178326482	ZINC000237724068	ref	4.64	-56.46	1	369.462	1.047	1	3	3	C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CC[NH2+]1
214202266	ZINC000278509869	mid	9.44	-43.23	1	304.459	3.296	2	2	7	COCCSCCC[N@H+]1CCc2[nH]c3ccccc3c2C1
197611413	ZINC000163091046	ref	6.07	-13.73	0	317.414	2.663	1	4	4	COc1ccc(-c2n[nH]cc2C(=O)N(C)[C@H]2CCSC2)cc1
365651111	ZINC000637721776	mid	3.58	-46.9	1	291.395	1.251	4	2	6	Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCCO)C2)cc1
342603568	ZINC000590881236	ref	4.89	-22.91	0	274.32	1.307	1	4	3	C[C@H](Oc1ccccc1C#N)C(=O)N1CC[C@@H](O)[C@H]1C
342603569	ZINC000617006970	ref	4.79	-34.46	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@](C)(O)C1CC1
342603570	ZINC000617006970	mid	2.92	-35.93	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@](C)(O)C1CC1
342603571	ZINC000617006970	high	1.44	-5.69	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@H]1CNC(=O)[C@](C)(O)C1CC1
342603572	ZINC000617007117	ref	4.82	-40.89	1	277.368	1.698	3	2	3	Cc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)[nH]c(=O)c1
178326484	ZINC000237724068	mid	3.41	-15.17	0	369.462	1.047	1	4	3	C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3F)CC2)CCN1
178326486	ZINC000237715561	ref	3.25	-45.6	1	371.441	1.252	2	5	4	Cc1noc2ncc(C(=O)N3CCC[C@H](CNC(=O)[C@H]4CCC[NH2+]4)C3)cc12
178326488	ZINC000237709526	ref	10.63	-66.03	-1	353.382	1.995	1	7	5	Cc1cc(C)n2nc(C(=O)N[C@@H](CC(=O)[O-])c3ccccc3C)nc2n1
178328141	ZINC000004235069	ref	10.45	-11.33	0	236.318	3.927	0	2	1	Cc1ccc(-c2cn3cccc(C)c3n2)cc1C
342603573	ZINC000617007117	mid	3.72	-42.18	1	277.368	1.698	3	2	3	Cc1cc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)[nH]c(=O)c1
342603574	ZINC000617007117	high	1.9	-9.05	0	277.368	1.698	2	3	3	Cc1cc(C(=O)NC[C@H]2CCN2C(C)(C)C)[nH]c(=O)c1
342603575	ZINC000590881208	ref	3.78	-12.26	0	263.293	1.069	1	4	2	COC(=O)c1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1
342603576	ZINC000590870175	ref	1.69	-8.63	0	256.346	1.014	3	3	6	C[C@H](C[C@@H]1CCCO1)NC(=O)NC[C@@H](O)C1CC1
342603577	ZINC000590881136	ref	6.86	-9.13	0	285.347	1.983	0	4	3	CO[C@H]1C[C@@H](N(C)C(=O)c2cccc(C#N)n2)C12CCC2
342603578	ZINC000590870320	ref	5.28	-10.98	0	273.373	1.584	1	4	6	COC(=O)CC(C)(C)CC(=O)N(C)[C@H](C)C(C)(C)O
214202269	ZINC000278509869	mid	6.9	-7.13	0	304.459	3.296	1	3	7	COCCSCCCN1CCc2[nH]c3ccccc3c2C1
214202273	ZINC000278511151	ref	5.21	-23.37	0	311.385	2.904	2	2	2	CC(C)(C)[C@H]1CN(C(=O)c2cc(C(N)=O)c[nH]2)c2ccccc21
295667014	ZINC000189616349	ref	7.77	-10.68	0	271.426	2.546	0	3	2	CS[C@H]1CCCCN(C(=O)[C@H]2CCCO[C@H]2C)C1
349536227	ZINC000621500066	ref	8.41	-11.74	0	294.345	3.434	1	1	4	C[C@@H]1CN(C(=O)NCC[C@@H]2CC2(F)F)[C@H]1c1ccccc1
342603579	ZINC000590881205	ref	5.33	-14.41	0	298.726	1.772	1	4	3	C[C@@H]1[C@H](O)CCN1C(=O)Cc1ccc([N+](=O)[O-])cc1Cl
214202277	ZINC000278509917	ref	7.86	-10.24	0	314.389	2.09	1	5	7	COCCC1(C(=O)NCc2ncnn2-c2ccccc2)CCC1
214202284	ZINC000278511322	ref	4.1	-49.38	1	304.371	3.128	2	5	6	Cc1ccc([C@@H](O)C[NH2+]Cc2cnc(-c3ccco3)s2)o1
342603580	ZINC000590881252	ref	4.36	-13.32	0	289.291	1.671	2	4	2	C[C@@H]1[C@H](O)CCN1C(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1
342603581	ZINC000590881133	ref	4.78	-20.72	0	294.307	1.589	1	5	4	CCOc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
342603582	ZINC000590870375	ref	4.34	-15.01	0	296.348	1.539	2	5	7	CCOC(=O)COCCNC(=O)c1cc2ccsc2[nH]1
178326483	ZINC000071256494	ref	7.32	-56.74	-1	213.236	2.755	0	3	2	Cc1ccc(-c2ccccc2)c(C(=O)[O-])n1
342603583	ZINC000617007004	ref	6.34	-35.31	1	265.357	1.596	2	3	5	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CCc1ccon1
342603584	ZINC000617007004	mid	4.85	-38.64	1	265.357	1.596	2	3	5	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)CCc1ccon1
342603585	ZINC000617007004	high	3.29	-9.4	0	265.357	1.596	1	4	5	CC(C)(C)N1CC[C@H]1CNC(=O)CCc1ccon1
342603586	ZINC000590881256	ref	4.47	-10.91	0	264.281	1.499	1	4	2	Cc1cc([N+](=O)[O-])ccc1C(=O)N1CC[C@@H](O)[C@H]1C
197611437	ZINC000290146743	ref	1.65	-55.7	1	262.309	0.595	2	4	5	CO[C@H]1COC[C@@H]1[NH2+]C[C@@H](O)c1ccc(C#N)cc1
197611438	ZINC000290146743	high	0.35	-9.66	0	262.309	0.595	2	5	5	CO[C@H]1COC[C@@H]1NC[C@@H](O)c1ccc(C#N)cc1
214202287	ZINC000278511322	high	2.68	-9.38	0	304.371	3.128	2	6	6	Cc1ccc([C@@H](O)CNCc2cnc(-c3ccco3)s2)o1
342603587	ZINC000617006968	ref	3.91	-34.09	1	254.374	1.136	3	2	4	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@](C)(O)C1CC1
168367906	ZINC000020594608	ref	4.28	-42.94	1	167.277	2.199	1	1	2	C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccsc1
178326485	ZINC000038072467	ref	7.27	-45.47	1	211.308	3.429	1	0	2	Cc1ccc(-c2cccc(C[NH3+])c2)c(C)c1
342603588	ZINC000617006968	mid	2.53	-35.83	1	254.374	1.136	3	2	4	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@](C)(O)C1CC1
398250102	ZINC000095467512	ref	6.32	-9.9	0	233.221	2.613	1	3	3	C#CCNc1nc(C(F)F)nc2ccccc12
168365829	ZINC000021518677	ref	7.74	-2.55	0	245.288	4.554	1	1	5	CCC(CC)CNc1cccc(C(F)(F)F)c1
282123892	ZINC000533475348	ref	1.97	-6.63	0	255.358	1.301	2	3	2	C[C@@H](O)[C@@H]1CCCN(C(=O)C2(O)CCCCC2)C1
342603589	ZINC000617006968	high	0.9	-6.22	0	254.374	1.136	2	3	4	CC(C)(C)N1CC[C@H]1CNC(=O)[C@@](C)(O)C1CC1
342603590	ZINC000590881248	ref	4.87	-16.51	0	274.32	1.307	1	4	3	C[C@H](Oc1ccc(C#N)cc1)C(=O)N1CC[C@@H](O)[C@H]1C
214202275	ZINC000337659101	ref	8.36	-12.3	0	275.396	3.447	1	3	6	CCC[C@H](C)CC(=O)Nc1ccc(N2CCCC2)cn1
365651112	ZINC000053299150	mid	6.19	-38.69	1	293.436	1.534	2	3	6	O=C(CC[N@H+](Cc1cccs1)C1CC1)N1CCNCC1
178326489	ZINC000065350071	ref	9.96	-58.36	-1	244.265	3.808	0	2	2	Cc1ccc(-c2cccc(C)c2C(=O)[O-])cc1F
178326491	ZINC000080053380	ref	7.63	-11.78	0	227.332	3.296	1	1	2	Cc1ccc(-c2ccccc2C(N)=S)cc1
398250110	ZINC000062615272	ref	5.9	-46.65	1	232.327	1.817	1	1	1	Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1
398250117	ZINC000062615272	high	4.66	-7.43	0	232.327	1.817	1	2	1	Cc1ccc(C(=O)N2C[C@@H](C)NC[C@@H]2C)cc1
214202280	ZINC000337659176	ref	9.88	-11.09	0	266.389	2.19	0	5	5	CC(C)CO[C@H]1CCN(c2nnc(C(C)C)n2C)C1
178326499	ZINC000038069130	ref	6.62	-4.89	0	201.244	3.383	1	1	1	Cc1ccc(-c2cccc(F)c2)cc1N
365651115	ZINC000053299150	mid	6.18	-37.69	1	293.436	1.534	2	3	6	O=C(CC[N@@H+](Cc1cccs1)C1CC1)N1CCNCC1
178326502	ZINC000041225767	ref	7.84	-4.08	0	211.308	3.861	1	1	1	Cc1ccc(-c2cccc(C)c2C)cc1N
178326507	ZINC000096171895	ref	6.05	-6.65	0	202.228	3.507	1	1	1	Cc1ccc(-c2ccccc2)c(F)c1O
178326511	ZINC000096171895	high	6.8	-49.24	-1	202.228	3.507	0	1	1	Cc1ccc(-c2ccccc2)c(F)c1[O-]
365651120	ZINC000053299150	high	4.11	-7.25	0	293.436	1.534	1	4	6	O=C(CCN(Cc1cccs1)C1CC1)N1CCNCC1
178326514	ZINC000085476924	ref	9.95	-50.2	-1	244.265	3.428	0	2	3	Cc1ccc(-c2cccc(CC(=O)[O-])c2)cc1F
214202281	ZINC000337658119	ref	1.05	-16.61	0	285.323	-0.264	3	4	7	C[C@H](NC(=O)NCCc1cnn(C)c1)C(=O)NCCF
178326517	ZINC000065339947	ref	5.76	-6.39	0	202.228	3.507	1	1	1	Cc1ccc(-c2cccc(O)c2)cc1F
398250122	ZINC000053099995	ref	4.47	-4.05	0	209.314	1.83	0	3	6	C#CCN(CCOC)Cc1cccs1
398250128	ZINC000053099995	mid	6.57	-32.03	1	209.314	1.83	1	2	6	C#CC[N@@H+](CCOC)Cc1cccs1
342603591	ZINC000617007187	ref	4.81	-37.61	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@H]1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
365651118	ZINC000637721776	high	0.89	-9.76	0	291.395	1.251	3	3	6	Cc1ccc(CN2CC[C@@H](NC(=O)NCCCO)C2)cc1
365651123	ZINC000274400450	ref	4.64	-9.26	0	289.331	1.196	0	4	2	Cc1ccc(C(=O)C(=O)N2CCO[C@]3(CCOC3)C2)cc1
210256025	ZINC000004710616	ref	6.84	-13.63	0	328.759	3.356	1	5	5	O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccn1
342603592	ZINC000617007187	mid	3.69	-37.45	1	298.427	1.417	2	3	5	CO[C@@H]1COCC[C@H]1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603593	ZINC000617007187	high	1.79	-7.18	0	298.427	1.417	1	4	5	CO[C@@H]1COCC[C@H]1CC(=O)NC[C@H]1CCN1C(C)(C)C
398250106	ZINC000651471684	ref	5.49	-9.93	0	277.408	3.095	2	2	8	CCCC(C)(C)C(=O)NC[C@@H](CCO)c1ccccc1
214202279	ZINC000053855615	ref	5.92	-14.73	0	328.199	3.101	2	3	5	CCCCNC(=O)Cc1nc2c(Cl)cc(Cl)cc2c(=O)[nH]1
210256035	ZINC000004713631	ref	12.43	-8.16	0	344.502	6.014	0	2	4	Cc1ccc([C@H](C)c2cc(C)c([C@@H](C)c3ccc(C)nc3)cc2C)cn1
365651129	ZINC000274399524	ref	4.38	-52.86	1	262.353	1.952	2	2	7	CCCOc1ccc(/C=C/C(=O)N[C@H](C)C[NH3+])cc1
342603594	ZINC000590881221	ref	4.64	-19.54	0	296.348	1.912	1	5	3	CSc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
210256040	ZINC000004713631	low	12.92	-33.43	1	344.502	6.014	0	1	4	Cc1ccc([C@H](C)c2cc(C)c([C@@H](C)c3ccc(C)[nH+]c3)cc2C)cn1
210256046	ZINC000004713653	ref	1.99	-11.01	0	329.441	1.552	3	4	7	CC(C)C[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(N)=O
210256052	ZINC000004710129	ref	9.76	-10.54	0	338.476	4.068	1	4	5	O[C@H](CSc1ccccn1)Cn1c2c(c3ccccc31)CCCC2
168365833	ZINC000019903362	ref	5.58	-4.21	0	237.343	3.552	1	3	7	CCC(CC)CNc1ccc(OC)cc1OC
365651137	ZINC000274400106	ref	3.85	-11.68	0	299.317	1.506	1	3	4	C[C@H](O)C[C@H]1COCCN1C(=O)Cc1ccc(F)c(F)c1
398250109	ZINC000651470337	ref	4.2	-8.23	0	271.364	3.36	1	4	6	CCc1cccnc1[C@H](C)NCc1cnc(C2CC2)o1
210256063	ZINC000004712303	ref	5.55	-45.46	-1	329.404	2.125	0	6	5	COc1ccccc1N=Nc1c(C)[n-]n(CN2CCCCC2)c1=O
210256069	ZINC000004712303	low	7.31	-36.76	0	329.404	2.125	1	5	5	COc1ccccc1N=Nc1c(C)[n-]n(C[NH+]2CCCCC2)c1=O
342603595	ZINC000590881189	ref	5.47	-20.64	0	293.388	1.584	1	4	5	C[C@@H]1[C@H](O)CCN1C(=O)CSCC(=O)c1ccccc1
214202283	ZINC000053846769	ref	5.34	-16.02	0	339.443	2.046	1	5	3	Nc1nc(CN2CCC(C(=O)N3CCCC3)CC2)nc2ccccc12
342603596	ZINC000590870305	ref	6.07	-13.5	0	293.363	1.633	1	4	5	COC(=O)Cc1cccc(C(=O)N(C)[C@@H](C)C(C)(C)O)c1
342090642	ZINC000121988908	ref	5.37	-14.18	0	260.337	1.949	1	3	4	CC(=O)[C@@H]1C[C@H](C(=O)NCc2cccnc2)C1(C)C
342090643	ZINC000616319365	ref	7.01	-14.33	0	287.363	1.876	1	4	2	Cc1ccn2cnc(C(=O)N3CCC[C@@H](CO)[C@@H]3C)c2c1
365651121	ZINC000623089743	ref	5.32	-46.38	1	313.396	1.921	1	4	9	C=CCCn1cc(C[NH2+]CC2CCN(CC(F)F)CC2)nn1
136230352	ZINC000295627842	ref	1.58	-7.89	0	239.237	1.628	2	2	4	C=CC(C)(C)C(=O)NC[C@](C)(O)C(F)(F)F
299072545	ZINC000459276839	high	7.2	-7.73	0	308.466	2.528	0	3	6	O=C(C1CCN(CCOCC2CCCC2)CC1)N1CCCC1
349536228	ZINC000258932383	high	3.46	-47.41	1	248.326	1.427	2	3	4	[NH3+][C@@H]1CCC[C@@H]1NCCc1ccc2c(c1)OCO2
365651128	ZINC000623089743	low	7.97	-104.13	2	313.396	1.921	2	3	9	C=CCCn1cc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)nn1
365651130	ZINC000623089743	high	4.07	-10.9	0	313.396	1.921	1	5	9	C=CCCn1cc(CNCC2CCN(CC(F)F)CC2)nn1
349536231	ZINC000602431469	ref	5.83	-39.94	1	239.363	1.189	1	3	6	C[C@H](CCC#N)CN1CCO[C@@H](C[NH+](C)C)C1
349536234	ZINC000602431469	low	7.31	-105.44	2	239.363	1.189	2	2	6	C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](C[NH+](C)C)C1
342090644	ZINC000122006509	ref	4.1	-14.86	0	263.341	1.18	2	3	4	C[C@]1(CO)CCCN1C(=O)NCCc1ccccn1
342090645	ZINC000618183762	ref	6.66	-8.27	0	278.396	1.941	1	2	4	O=C(NCC(=O)N1CC[C@H](C2CCCCC2)C1)C1CC1
342090646	ZINC000616319299	ref	4.41	-11.37	0	277.368	1.065	1	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2nccn2C1
342090647	ZINC000616319299	low	4.87	-36.01	1	277.368	1.065	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@H]1CCc2[nH+]ccn2C1
365651136	ZINC000623090558	ref	1.59	-38.04	1	306.328	1.767	3	3	7	CN(CC[N@H+](C)CCO)Cc1cc(O)cc(C(F)(F)F)c1
230745559	ZINC000450491780	ref	6.93	-15.05	0	320.393	1.664	0	6	5	CCC[C@H]1CCC[C@H]1C(=O)N1CC(n2cc(C(=O)OC)nn2)C1
365651141	ZINC000623090558	mid	1.57	-37.76	1	306.328	1.767	3	3	7	CN(CC[N@@H+](C)CCO)Cc1cc(O)cc(C(F)(F)F)c1
230745565	ZINC000450495615	ref	5.74	-59.83	-1	307.346	1.826	1	5	7	COc1ccc(CNC(=O)CC[C@@H]2CCOC2)cc1C(=O)[O-]
365651147	ZINC000623090558	high	-0.79	-5.97	0	306.328	1.767	2	4	7	CN(CCO)CCN(C)Cc1cc(O)cc(C(F)(F)F)c1
295667017	ZINC000351728946	ref	7.42	-21.11	0	325.482	2.276	0	6	3	CS[C@H]1CCCCN(C(=O)[C@H](C)n2nnnc2C(C)(C)C)C1
342090648	ZINC000623725499	ref	7.01	-81.39	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)[NH+](C)C1CC1
349536236	ZINC000602431469	low	7.72	-106.96	2	239.363	1.189	2	2	6	C[C@H](CCC#N)C[N@H+]1CCO[C@@H](C[NH+](C)C)C1
178326492	ZINC000237708250	ref	4.14	-14.19	0	359.455	1.796	2	6	4	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3csc(CN)n3)C2)nc1
210256074	ZINC000004711938	ref	9.08	-46.66	1	349.519	2.55	2	2	6	O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
342603597	ZINC000590881165	ref	4.38	-18.61	0	264.281	1.499	1	4	2	Cc1ccc(C(=O)N2CC[C@@H](O)[C@H]2C)cc1[N+](=O)[O-]
342603598	ZINC000617008099	ref	5.88	-45.69	1	264.373	1.25	3	2	4	Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
282123894	ZINC000151701039	mid	7.57	-39.6	1	324.513	2.236	2	2	7	CCC[C@H]1CCCN(C(=O)NCCCCN2CC[NH+](C)CC2)C1
282123898	ZINC000151701039	high	5.21	-9.1	0	324.513	2.236	1	3	7	CCC[C@H]1CCCN(C(=O)NCCCCN2CCN(C)CC2)C1
282123902	ZINC000151695072	ref	3.05	-22.59	0	318.373	2.182	3	4	5	O=C(NCCC[C@@H]1CCCC[C@H]1O)c1cccc2[nH]c(=O)oc12
282123913	ZINC000151700470	ref	6.09	-41.77	1	324.513	2.282	3	2	6	CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCCC2(C)C)CC1
282123919	ZINC000151700470	mid	6.21	-39.46	1	324.513	2.282	3	2	6	C[NH+]1CCN(CCCCNC(=O)N[C@@H]2CCCCC2(C)C)CC1
349536230	ZINC000621500581	ref	7.6	-9.22	0	272.339	3.006	1	1	3	O=C(NCC[C@@H]1CC1(F)F)N1CCC[C@H]2CCC[C@@H]21
398250108	ZINC000448145684	low	1.25	-13.1	0	278.356	1.304	3	3	3	CC(C)(C)[C@H](O)CNC(=O)N=c1ccc(C2CC2)n[nH]1
168365835	ZINC000019903362	low	6.1	-33.48	1	237.343	3.552	1	2	7	CCC(CC)C[NH2+]c1ccc(OC)cc1OC
342603599	ZINC000617008099	mid	4.76	-45.55	1	264.373	1.25	3	2	4	Cc1nc[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
197611446	ZINC000163094672	ref	5.22	-12.59	0	304.159	1.971	1	2	5	CCN(CCO)C(=O)Cc1ccc(Br)c(F)c1
342603600	ZINC000617008099	low	6.35	-81.79	2	264.373	1.25	3	1	4	Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C
342603601	ZINC000617008099	low	5.22	-80.88	2	264.373	1.25	3	1	4	Cc1[nH+]c[nH]c1CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C
342603602	ZINC000617008099	high	2.86	-13.71	0	264.373	1.25	2	3	4	Cc1nc[nH]c1CC(=O)NC[C@H]1CCN1C(C)(C)C
212174499	ZINC000335495459	ref	4.65	-62.1	1	270.735	2.207	1	1	1	Cc1ccc(C(=O)N2C[C@@H]([NH3+])[C@H](C)C2)c(F)c1Cl
212174507	ZINC000335495994	ref	3.95	-55.94	1	263.341	0.503	2	3	2	Cn1c(C(=O)N[C@@H]2CC[NH2+]CC2(C)C)cccc1=O
212174511	ZINC000335494964	ref	7.01	-11.16	0	257.333	2.029	1	2	2	CC1(NC(=O)[C@H]2CCC(=O)C2)Cc2ccccc2C1
212174531	ZINC000335495725	ref	3.39	-16.17	0	271.267	0.284	1	4	2	O=C([C@H]1CCc2cncn2C1)N1CC(O)(C(F)F)C1
212174535	ZINC000335495725	low	3.9	-45.46	1	271.267	0.284	1	3	2	O=C([C@H]1CCc2c[nH+]cn2C1)N1CC(O)(C(F)F)C1
230745551	ZINC000425620565	ref	5.61	-9.95	0	311.407	2.432	1	5	4	CC[C@H]1CCN(C(=O)N[C@H](C)c2ncc(C(=O)OC)s2)C1
210256082	ZINC000004712923	ref	7.76	-9.35	0	334.375	3.639	2	4	6	Cc1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1
299072546	ZINC000358087903	ref	4.22	-8.09	0	311.451	1.979	2	4	8	CCCCCNC(=O)C(=O)NCCc1nc(CC)c(C)s1
299072551	ZINC000358088574	ref	5.22	-21.2	0	302.374	1.821	1	3	5	CN(C(=O)C1CCC(=O)CC1)[C@H](CC(N)=O)c1ccccc1
214202292	ZINC000337660510	ref	3.69	-7.86	0	263.328	2.335	2	2	4	CC(C)[C@](C)(O)C(=O)NCC1CCC(F)(F)CC1
214202298	ZINC000337660155	ref	7.0	-9.35	0	274.364	2.458	1	2	4	Cc1ccccc1CN(C(=O)N[C@@H]1CCOC1)C1CC1
214202302	ZINC000337660040	ref	10.29	-11.89	0	280.416	2.267	0	5	6	CCOC[C@@H]1CCCN(c2nnc(CC(C)C)n2C)C1
342090649	ZINC000623725499	mid	7.2	-81.34	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)[NH+](C)C1CC1
342090650	ZINC000623725499	mid	7.54	-82.82	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@H+](C)C1CC1
282123895	ZINC000533474851	ref	3.72	-5.99	0	290.363	1.553	2	3	2	Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)O)C2)cc1
210256095	ZINC000004713948	ref	9.47	-8.11	0	333.453	3.788	1	4	3	COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCCC2
214202305	ZINC000337659231	ref	11.19	-41.12	1	269.392	3.493	1	2	4	CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1
210256101	ZINC000004714151	ref	11.23	-49.95	-1	336.347	4.12	1	5	3	O=C([O-])c1cccc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21
210256107	ZINC000004711993	ref	10.13	-10.37	0	326.827	4.113	1	2	4	Cc1ccc2c(c1)cc(C(=O)NCCc1ccc(Cl)cc1)n2C
168365837	ZINC000019921437	ref	7.29	-4.72	0	202.301	3.406	1	2	5	CCC(CC)CNc1ccccc1C#N
214202308	ZINC000337659231	mid	11.76	-40.92	1	269.392	3.493	1	2	4	CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2ccnc2)cc1
342090651	ZINC000623725499	mid	7.01	-81.39	2	296.459	1.5	4	1	6	C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH+](C)C1)[N@@H+](C)C1CC1
342090652	ZINC000623725499	high	5.04	-38.74	1	296.459	1.5	3	2	6	C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N(C)C1CC1
342090653	ZINC000623725499	high	5.23	-39.03	1	296.459	1.5	3	2	6	C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)N(C)C1CC1
342090654	ZINC000609098938	ref	6.25	-8.49	0	299.374	1.776	0	4	2	N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCCOCC2)cc1
342090655	ZINC000618183763	ref	6.66	-8.28	0	278.396	1.941	1	2	4	O=C(NCC(=O)N1CC[C@@H](C2CCCCC2)C1)C1CC1
230745554	ZINC000425615231	ref	4.65	-15.57	0	300.362	2.005	3	3	4	C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)C(=O)Nc1ccccc1
178326494	ZINC000237708250	mid	4.54	-63.23	1	359.455	1.796	2	5	4	Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)c3csc(C[NH3+])n3)C2)nc1
230745557	ZINC000425617073	ref	3.12	-11.93	0	317.311	2.416	3	3	3	CN(C)c1ccc(C(F)(F)F)cc1NC(=O)N[C@@H]1CC[C@H]1O
230745561	ZINC000425615103	ref	6.85	-14.35	0	306.362	2.032	0	5	4	COC(=O)[C@@H]1CC[C@@H](C(=O)N(C)c2cc(OC)ccn2)CC1
365651125	ZINC000576650142	ref	3.79	-48.24	1	245.29	0.018	3	6	3	Nc1c(N[C@H]2CC[NH2+]C2)ncnc1-n1cccn1
178326497	ZINC000237716971	ref	6.75	-54.63	1	353.825	1.763	1	2	2	O=C(c1ccc(Cl)cc1F)N1CCN(C(=O)C2CC[NH2+]CC2)CC1
178326501	ZINC000237712264	ref	3.72	-58.13	1	356.43	1.033	2	5	6	Cc1cccc(N(CCC(N)=O)C(=O)c2cn(C3CC[NH2+]CC3)nn2)c1
178326503	ZINC000237723041	ref	3.65	-58.41	1	369.462	1.34	2	3	5	O=C(c1ccc(S(=O)(=O)NC[C@@H]2CCC[NH2+]C2)cc1F)N1CCCC1
214202288	ZINC000053846769	mid	7.94	-42.77	1	339.443	2.046	2	4	3	Nc1nc(C[NH+]2CCC(C(=O)N3CCCC3)CC2)nc2ccccc12
365651134	ZINC000576648515	ref	1.81	-11.88	0	211.261	0.057	2	3	4	O=C(COC1CCCC1)NCC#CCO
365651138	ZINC000576650548	ref	5.57	-13.23	0	235.331	1.401	0	3	8	C=CCN(CCC#N)CCCN1CCCC1=O
365651142	ZINC000576650548	low	7.68	-53.46	1	235.331	1.401	1	2	8	C=CC[N@@H+](CCC#N)CCCN1CCCC1=O
365651148	ZINC000576650548	low	7.71	-53.04	1	235.331	1.401	1	2	8	C=CC[N@H+](CCC#N)CCCN1CCCC1=O
178326505	ZINC000237710603	ref	3.91	-61.49	1	365.499	1.526	1	3	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)C1
178326509	ZINC000237711600	ref	3.89	-62.84	1	365.499	1.526	1	3	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N3CC[C@@H]([NH3+])C3)c2)C1
178326512	ZINC000237717592	ref	5.97	-40.9	1	351.397	1.685	2	2	4	O=C(NC[C@@H]1CCCN(C(=O)c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1
178326515	ZINC000237715536	ref	3.23	-45.66	1	371.441	1.252	2	5	4	Cc1noc2ncc(C(=O)N3CCC[C@H](CNC(=O)[C@@H]4CCC[NH2+]4)C3)cc12
342603603	ZINC000617006997	ref	3.33	-34.72	1	265.357	1.894	2	3	3	Cc1nc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c(C)o1
365651158	ZINC000576648432	ref	3.84	-7.32	0	240.347	2.043	2	2	5	COCC1(NC(=O)N[C@@H](C)C2CC2)CCCC1
342603604	ZINC000617006997	mid	2.22	-35.16	1	265.357	1.894	2	3	3	Cc1nc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c(C)o1
365651170	ZINC000576649810	ref	5.38	-11.69	0	245.33	1.593	2	4	3	Cc1nc(CNc2cc3n(n2)CCCC3)[nH]c1C
214202290	ZINC000053876388	ref	6.38	-45.81	1	325.294	3.789	1	1	4	CN(Cc1ccccc1Br)C[C@@H]1CCCCC[C@@H]1[NH3+]
214202293	ZINC000053876388	low	8.5	-117.91	2	325.294	3.789	2	0	4	C[N@@H+](Cc1ccccc1Br)C[C@@H]1CCCCC[C@@H]1[NH3+]
214202296	ZINC000053876388	low	8.69	-117.84	2	325.294	3.789	2	0	4	C[N@H+](Cc1ccccc1Br)C[C@@H]1CCCCC[C@@H]1[NH3+]
214202300	ZINC000053849294	ref	7.05	-12.64	0	325.162	2.18	1	4	3	CC(C)OC(=O)Cc1nc2ccc(Br)cc2c(=O)[nH]1
342090656	ZINC000616319316	ref	4.5	-16.24	0	294.399	1.456	1	5	4	Cn1nncc1CC(=O)N[C@@H]1C[C@H](OC(C)(C)C)C1(C)C
214202307	ZINC000053849904	ref	7.96	-19.24	0	340.379	2.84	1	4	6	COc1cccc(OCC(=O)Nc2ccccc2N2CCCC2=O)c1
214202310	ZINC000053863330	ref	5.29	-14.71	0	329.381	2.154	2	4	4	C[C@@]1(c2cccs2)NC(=O)N(CC(=O)Nc2ccccc2)C1=O
214202314	ZINC000053867940	ref	8.93	-15.04	0	345.326	2.085	1	5	6	COC(=O)c1cccc(C(=O)OCC(=O)NCc2ccccc2F)c1
214202318	ZINC000053854591	ref	6.06	-18.47	0	339.395	2.639	3	3	6	C[C@H](NC(=O)[C@@H](C)OCc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1
282123897	ZINC000338145210	ref	3.77	-9.72	0	282.428	2.663	3	2	6	CCC(CC)(CO)CNC(=O)N[C@H]1CC2CCC1CC2
214202326	ZINC000053862285	ref	6.28	-17.59	0	345.33	2.455	0	6	5	C[C@@H](c1ccc(F)cc1)N(C)C(=O)Cn1nc(-c2ccco2)oc1=O
214202329	ZINC000053845962	ref	3.41	-14.99	0	334.335	1.645	3	4	2	C[C@]1(c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)NC(=O)NC1=O
342090657	ZINC000616319443	ref	2.63	-11.29	0	284.4	1.269	1	4	4	CON1CCC(CC(=O)N2CCC[C@H](CO)[C@@H]2C)CC1
342090658	ZINC000616319412	ref	2.62	-15.45	0	278.352	1.583	2	3	3	CCc1c[nH]c(=O)c(C(=O)N2CCC[C@H](CO)[C@H]2C)c1
342090659	ZINC000052092422	ref	5.46	-43.89	1	262.353	1.714	2	2	9	O=C(CC[NH2+]C1CC1)NCCCOc1ccccc1
342090660	ZINC000046906228	ref	4.55	-14.59	0	297.399	1.064	1	3	2	CCNC(=O)N1CCC(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1
342090661	ZINC000616319362	ref	7.03	-14.25	0	287.363	1.876	1	4	2	Cc1ccn2cnc(C(=O)N3CCC[C@H](CO)[C@H]3C)c2c1
342090662	ZINC000609099647	ref	4.41	-8.75	0	299.374	1.822	1	4	3	N#Cc1ccc(N2CCC[C@@H]2C(=O)NC2CCOCC2)cc1
342090663	ZINC000046900943	ref	4.76	-15.3	0	288.351	1.396	2	4	6	CCN(CCO)C(=O)NCc1ccc(-n2cccn2)cc1
342090664	ZINC000302560183	ref	4.7	-8.82	0	257.374	1.668	1	3	7	CC(C)N(CCOCCO)C(=O)[C@H]1CCC[C@H]1C
342090665	ZINC000616319512	ref	4.18	-10.23	0	269.385	1.811	1	3	4	CO[C@H](C(=O)N1CCC[C@H](CO)[C@H]1C)C1CCCC1
342090666	ZINC000616319301	ref	4.41	-12.03	0	277.368	1.065	1	4	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2nccn2C1
365651127	ZINC000053299098	ref	7.45	-103.89	2	295.814	1.594	2	1	5	C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc(Cl)c1
342090667	ZINC000616319301	low	4.88	-37.56	1	277.368	1.065	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1
342090668	ZINC000302560182	ref	4.45	-8.77	0	257.374	1.668	1	3	7	CC(C)N(CCOCCO)C(=O)[C@@H]1CCC[C@H]1C
342090669	ZINC000616319442	ref	1.91	-13.77	0	278.352	1.252	1	4	4	COc1cc(CC(=O)N2CCC[C@@H](CO)[C@H]2C)ccn1
168365841	ZINC000134825973	ref	6.12	-6.78	0	203.289	2.801	1	3	5	CCC(CC)CNc1cccc(C#N)n1
342090670	ZINC000609099664	ref	5.65	-9.52	0	255.321	1.759	0	3	2	N#Cc1ccc(N2CCC[C@@H]2C(=O)N2CCC2)cc1
342090671	ZINC000616319501	ref	2.55	-10.52	0	271.748	1.306	1	4	2	C[C@H]1[C@@H](CO)CCCN1C(=O)c1c(Cl)cnn1C
342090672	ZINC000122006745	ref	4.1	-15.06	0	263.341	1.18	2	3	4	C[C@@]1(CO)CCCN1C(=O)NCCc1ccccn1
342090673	ZINC000616319394	ref	3.2	-8.4	0	267.369	1.421	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@]12C[C@H]1COC2(C)C
342090674	ZINC000616319392	ref	2.91	-8.89	0	267.369	1.421	1	3	2	C[C@@H]1[C@H](CO)CCCN1C(=O)[C@@]12C[C@@H]1COC2(C)C
342090675	ZINC000052092638	ref	5.23	-54.74	-1	280.324	1.618	2	4	8	CC[C@@H](NC(=O)NCCCOc1ccccc1)C(=O)[O-]
342090676	ZINC000052092643	ref	7.8	-46.58	-1	294.351	1.962	1	4	9	CCCN(CC(=O)[O-])C(=O)NCCCOc1ccccc1
342090677	ZINC000121993786	ref	4.92	-8.2	0	295.358	1.784	2	3	5	Cc1cc(N(C)C)cc(C)c1NC(=O)C(=O)NCCCF
365651132	ZINC000053299098	mid	7.45	-103.79	2	295.814	1.594	2	1	5	C[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc(Cl)c1
365651140	ZINC000053299098	mid	6.15	-45.38	1	295.814	1.594	2	2	5	C[N@H+](CCC(=O)N1CCNCC1)Cc1cccc(Cl)c1
342090678	ZINC000609099645	ref	6.12	-13.08	0	255.321	1.759	0	3	2	N#Cc1ccc(N2CCC[C@H]2C(=O)N2CCC2)cc1
342090679	ZINC000616319500	ref	2.57	-10.87	0	271.748	1.306	1	4	2	C[C@@H]1[C@H](CO)CCCN1C(=O)c1c(Cl)cnn1C
342090680	ZINC000616319446	ref	2.66	-9.88	0	284.4	1.269	1	4	4	CON1CCC(CC(=O)N2CCC[C@H](CO)[C@H]2C)CC1
342090681	ZINC000616319300	ref	4.53	-11.71	0	277.368	1.065	1	4	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2nccn2C1
342090682	ZINC000616319300	low	5.0	-36.4	1	277.368	1.065	1	3	2	C[C@@H]1[C@@H](CO)CCCN1C(=O)[C@@H]1CCc2[nH+]ccn2C1
342090683	ZINC000035565167	ref	4.45	-3.21	0	254.909	1.975	0	2	2	CCC(=O)C(Br)(Br)C#N
168365844	ZINC000124340145	ref	6.77	-11.03	0	223.276	2.838	1	4	6	CCC(CC)CNc1ccc([N+](=O)[O-])nc1
342603605	ZINC000617006997	mid	0.33	-7.85	0	265.357	1.894	1	4	3	Cc1nc(C(=O)NC[C@H]2CCN2C(C)(C)C)c(C)o1
214202291	ZINC000278509879	ref	4.41	-41.23	1	316.445	2.152	2	3	6	OC[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC=CO1
214202295	ZINC000278509879	mid	6.81	-110.35	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC=CO1
214202297	ZINC000278509879	mid	6.21	-113.68	2	316.445	2.152	3	2	6	OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC=CO1
342603606	ZINC000617007123	ref	2.82	-38.68	1	278.356	1.088	2	4	4	COc1cnc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)nc1
214202301	ZINC000278510184	ref	8.82	-40.64	1	304.463	3.11	1	4	4	Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCN(c3ccnn3C)C2)s1
365651145	ZINC000274398279	ref	2.23	-11.35	0	266.345	1.929	3	4	7	CCCC(O)(CCC)CNC(=O)Nc1cncnc1
365651150	ZINC000274398177	ref	1.46	-57.62	1	297.156	1.402	3	2	3	C[C@H](C[NH3+])NC(=O)c1[nH]nc2ccc(Br)cc12
342603607	ZINC000617007123	mid	4.07	-38.36	1	278.356	1.088	2	4	4	COc1cnc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)nc1
342603608	ZINC000617007123	mid	1.06	-10.96	0	278.356	1.088	1	5	4	COc1cnc(C(=O)NC[C@@H]2CCN2C(C)(C)C)nc1
342603609	ZINC000590881137	ref	6.66	-8.86	0	285.347	1.983	0	4	3	CO[C@@H]1C[C@H](N(C)C(=O)c2cccc(C#N)n2)C12CCC2
342603610	ZINC000617007081	ref	4.06	-46.07	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21
214202818	ZINC000293819653	ref	6.24	-44.99	1	362.409	0.779	3	5	6	Cc1c(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)nnn1Cc1ccccc1F
214202821	ZINC000293819653	high	3.71	-13.56	0	362.409	0.779	2	6	6	Cc1c(NC(=O)C(=O)N[C@@H](C)CN(C)C)nnn1Cc1ccccc1F
178326518	ZINC000237725942	ref	7.38	-40.99	1	359.445	1.946	2	2	5	O=C(NC[C@H]1CCCN(C(=O)/C=C/c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1
197611468	ZINC000290148785	ref	6.56	-10.35	0	291.326	2.729	1	3	1	C[C@@H]1CN(C(=O)Nc2ccc(C#N)c(F)c2)CC(C)(C)O1
214202824	ZINC000293822832	ref	-0.28	-12.25	0	362.839	0.356	1	5	5	CCOc1ncc(C(=O)N2CCN(S(=O)(=O)NC)CC2)cc1Cl
214202829	ZINC000293809468	ref	3.91	-50.69	1	350.415	0.994	2	5	5	COc1cc(C(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc2c1OCCO2
342603611	ZINC000617007081	mid	3.81	-44.32	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21
342603612	ZINC000617007081	mid	4.22	-37.3	1	291.399	1.214	3	3	3	CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21
230240257	ZINC000343112776	ref	-1.98	-15.58	0	285.344	-1.094	4	4	7	CC(=O)N[C@H](C(=O)NCC(=O)NCCO)C1CCCC1
178326523	ZINC000237706366	ref	3.04	-49.35	1	354.248	1.94	3	2	4	Cc1cc(NC(=O)CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)ccc1Br
178326527	ZINC000237710571	ref	3.88	-10.99	0	365.499	1.399	1	3	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CC[NH2+]CC3)cc2)C1
178326530	ZINC000237710571	mid	3.88	-10.99	0	365.499	1.399	1	4	3	C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N3CCNCC3)cc2)C1
199273373	ZINC000181261183	mid	8.46	-41.23	1	318.461	3.034	2	2	6	CC[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccc(OC)cc1
178326532	ZINC000237716670	ref	2.78	-60.83	1	373.375	1.291	3	3	7	C[C@](NC(=O)C[NH2+]C[C@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1
178326534	ZINC000237716670	high	1.45	-19.69	0	373.375	1.291	3	4	7	C[C@](NC(=O)CNC[C@H]1CCCO1)(C(N)=O)c1cccc(C(F)(F)F)c1
178326537	ZINC000237720672	ref	7.65	-107.76	2	360.502	1.002	3	3	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3C[NH2+]CCO3)CC2)c1
178326540	ZINC000237720672	mid	6.3	-51.14	1	360.502	1.002	3	4	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CNCCO3)CC2)c1
178326542	ZINC000237720672	high	4.1	-12.67	0	360.502	1.002	2	5	7	Cc1cccc(N2CCN(CCCCNC(=O)[C@@H]3CNCCO3)CC2)c1
178326546	ZINC000237722322	ref	4.43	-51.4	1	369.387	1.912	3	2	4	C[C@](NC(=O)[C@H]1CC12CC[NH2+]CC2)(C(N)=O)c1cccc(C(F)(F)F)c1
349536232	ZINC000621499293	ref	7.95	-8.96	0	286.366	3.253	1	1	3	C[C@H]1CCN(C(=O)NCC[C@@H]2CC2(F)F)CC12CCC2
178326547	ZINC000237720713	ref	5.37	-48.73	1	360.502	1.002	3	4	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3COCCN3)CC2)c1
178326550	ZINC000237720713	mid	6.73	-92.93	2	360.502	1.002	3	3	7	Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3COCC[NH2+]3)CC2)c1
349536237	ZINC000621499179	ref	5.1	-10.91	0	299.374	3.027	1	3	3	Cc1cnc([C@H](C)NC(=O)N2CC(C)(c3ccccc3)C2)o1
168365846	ZINC000353409558	ref	4.07	-12.36	0	247.36	1.417	0	3	5	CCC(CC)CS(=O)(=O)N1CCC(=O)CC1
168365850	ZINC000020124595	ref	5.15	-8.61	0	234.343	2.894	2	2	6	CCC(CC)CNc1cccc(C(=O)NC)c1
349536240	ZINC000621499608	ref	5.38	-8.81	0	260.328	3.076	2	1	6	C=CCCNC(=O)N[C@H](C(F)F)C1CCCCC1
168365852	ZINC000309687272	ref	6.99	-7.91	0	218.304	2.806	2	3	5	CCC(CC)CNc1ncnc2[nH]ccc12
214202309	ZINC000293798012	ref	3.55	-17.85	0	359.426	0.782	3	4	7	CCNC(=O)[C@@H](NC(=O)c1ccc(C[C@@H]2CC(=O)NC2=O)cc1)C(C)C
214202313	ZINC000293798578	ref	3.7	-69.47	-1	371.444	0.458	0	8	4	Cc1nc([N-]C(=O)c2sccc2S(=O)(=O)N2CCOCC2)nn1C
214202311	ZINC000337659231	low	11.7	-81.06	2	269.392	3.493	1	1	4	CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(-n2cc[nH+]c2)cc1
365651146	ZINC000053299098	mid	6.15	-45.36	1	295.814	1.594	2	2	5	C[N@@H+](CCC(=O)N1CCNCC1)Cc1cccc(Cl)c1
365651151	ZINC000053299098	high	3.8	-7.82	0	295.814	1.594	1	3	5	CN(CCC(=O)N1CCNCC1)Cc1cccc(Cl)c1
365651165	ZINC000053299195	ref	6.98	-98.95	2	279.428	1.463	2	1	4	O=C(CC[N@@H+]1CCC[C@H]1C1CCCC1)N1CC[NH2+]CC1
197611465	ZINC000163098202	ref	5.18	-43.49	1	304.221	2.815	2	3	6	C[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@@H]1CCOC1
365651172	ZINC000053299195	mid	6.36	-39.76	1	279.428	1.463	2	1	4	O=C(CC[N@H+]1CCC[C@H]1C1CCCC1)N1CC[NH2+]CC1
365651178	ZINC000053299195	mid	5.69	-40.6	1	279.428	1.463	2	2	4	O=C(CC[N@@H+]1CCC[C@H]1C1CCCC1)N1CCNCC1
365651186	ZINC000053299195	mid	5.69	-40.6	1	279.428	1.463	2	2	4	O=C(CC[N@H+]1CCC[C@H]1C1CCCC1)N1CCNCC1
365651193	ZINC000173003405	ref	4.34	-15.23	0	295.339	1.7	1	4	5	O=S(=O)(NCC1CC1)c1cnn(-c2ccccc2F)c1
365651205	ZINC000173003320	ref	3.25	-7.74	0	265.256	1.792	1	2	4	O=S(=O)(NCC1CC1)c1cc(F)c(F)c(F)c1
282123899	ZINC000449156281	ref	5.13	-35.04	1	252.402	2.019	1	2	5	COCCN1CC[C@H]([NH2+][C@H]2CCCC23CCC3)C1
210256112	ZINC000004714185	ref	13.04	-7.14	0	347.458	5.452	0	3	3	CC(C)c1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1
398250112	ZINC000650876185	ref	3.45	-6.28	0	281.4	1.337	3	2	7	C[C@H](COCC1CC1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1
398250115	ZINC000650876185	mid	5.77	-37.27	1	281.4	1.337	3	2	7	C[C@H](COCC1CC1)NC(=O)N[C@@H]1CC[N@H+](C2CC2)C1
342090684	ZINC000609097644	ref	1.26	-14.31	0	293.254	1.485	1	6	4	COC(=O)c1cc(F)ccc1NC(=O)Cc1nnc(C)o1
282123901	ZINC000449156240	ref	7.47	-37.98	1	259.39	2.369	1	3	8	COC(=O)COC[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C
342090685	ZINC000052092637	ref	5.3	-54.49	-1	280.324	1.618	2	4	8	CC[C@H](NC(=O)NCCCOc1ccccc1)C(=O)[O-]
342090686	ZINC000052092642	ref	7.05	-53.68	-1	280.324	1.572	1	4	8	CCN(CC(=O)[O-])C(=O)NCCCOc1ccccc1
342090687	ZINC000609096571	ref	6.88	-14.45	0	279.34	1.15	0	5	3	CCc1c(C(=O)N2CCCC[C@H]2C(=O)OC)cnn1C
342090688	ZINC000621369964	ref	4.73	-42.77	1	297.786	1.624	2	4	4	C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cn2)C[C@H]1CO
342090689	ZINC000621369964	mid	4.27	-39.54	1	297.786	1.624	3	3	4	C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1CO
342090690	ZINC000621369964	mid	4.73	-42.77	1	297.786	1.624	3	3	4	C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)C[C@H]1CO
342603613	ZINC000617007081	mid	3.38	-37.48	1	291.399	1.214	3	3	3	CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21
342603614	ZINC000617007081	high	1.16	-12.84	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCCc2nn[nH]c21
342603615	ZINC000617007081	high	2.54	-7.06	0	291.399	1.214	2	4	3	CC(C)(C)N1CC[C@H]1CNC(=O)[C@H]1CCCc2n[nH]nc21
342603616	ZINC000617007124	ref	3.95	-38.29	1	278.356	1.088	2	4	4	COc1cnc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)nc1
342603617	ZINC000617007124	mid	2.83	-38.72	1	278.356	1.088	2	4	4	COc1cnc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)nc1
214202312	ZINC000337659231	low	12.28	-80.54	2	269.392	3.493	1	1	4	CC(C)[C@@H]1CCC[N@H+]1Cc1ccc(-n2cc[nH+]c2)cc1
214202315	ZINC000337661020	ref	-1.63	-17.13	0	251.333	-0.241	1	7	4	C[C@H](O)CS(=O)(=O)c1nnc(N(C)C)s1
199273374	ZINC000294963262	ref	5.94	-6.69	0	291.391	3.224	1	4	5	CC1(C)OCC[C@H]1Nc1ccc(OC[C@@H]2CCCO2)cc1